#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jeq s LYS 7 N 0.00 0.19 0.03 1.20 2.20 -1.26 -4.88 119.74 117.22 1jeq s LYS 7 Ca 0.00 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.68 1jeq s LYS 7 Cb 0.00 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1jeq s LYS 7 CO 0.00 -0.03 -0.15 0.00 -0.36 0.00 0.00 175.35 174.81 1jeq s ALA 8 N -0.25 1.24 -0.28 3.13 0.00 -1.26 0.13 121.76 124.47 1jeq s ALA 8 Ca -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1jeq s ALA 8 Cb -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1jeq s ALA 8 CO 0.00 0.26 0.01 0.00 0.00 0.00 0.00 175.76 176.03 1jeq s ALA 9 N -0.72 2.88 -0.11 0.00 0.00 0.11 -1.00 121.76 122.92 1jeq s ALA 9 Ca 0.03 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1jeq s ALA 9 Cb -0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1jeq s ALA 9 CO 0.01 -0.97 -0.18 0.08 0.00 0.00 0.00 175.76 174.70 1jeq s VAL 10 N 1.38 2.65 -0.24 0.00 1.01 0.12 -1.16 120.40 124.16 1jeq s VAL 10 Ca -0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1jeq s VAL 10 Cb -0.18 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1jeq s VAL 10 CO -0.01 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 174.95 1jeq s VAL 11 N 0.22 3.70 -0.65 2.92 1.01 -0.38 -0.91 120.40 126.32 1jeq s VAL 11 Ca -0.11 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 1jeq s VAL 11 Cb -0.16 -2.74 0.11 0.00 0.00 0.00 0.00 36.38 33.59 1jeq s VAL 11 CO 0.06 0.34 0.79 -0.76 0.00 0.00 0.00 175.10 175.53 1jeq s LEU 12 N 1.51 5.30 -0.62 3.92 1.43 0.27 -1.13 118.68 129.36 1jeq s LEU 12 Ca 0.05 -1.51 -0.24 0.00 -1.03 0.00 0.00 54.13 51.41 1jeq s LEU 12 Cb -0.15 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.80 1jeq s LEU 12 CO -0.01 -1.13 0.98 0.00 0.23 0.00 0.00 176.35 176.43 1jeq s MET 14 N 4.16 3.88 0.06 0.00 0.00 0.12 -1.52 119.30 126.00 1jeq s MET 14 Ca 0.26 -0.38 -0.31 0.00 0.00 0.00 0.00 55.69 55.27 1jeq s MET 14 Cb -0.14 -3.36 -0.06 0.00 0.00 0.00 0.00 34.83 31.26 1jeq s MET 14 CO 0.14 0.02 1.30 0.34 0.00 0.00 0.00 175.02 176.83 1jeq s ASP 15 N 1.09 6.95 -0.01 1.11 -1.08 0.34 -2.62 116.67 122.44 1jeq s ASP 15 Ca 0.05 2.13 0.01 0.00 -0.52 0.00 0.00 52.55 54.23 1jeq s ASP 15 Cb -0.14 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 1jeq s ASP 15 CO 0.04 -0.58 0.85 1.33 0.52 0.00 0.00 175.17 177.32 1jeq n VAL 16 N 4.09 0.71 -0.72 1.11 0.24 -0.42 -4.90 118.33 118.44 1jeq n VAL 16 Ca 0.11 -0.73 -0.33 0.00 -2.04 0.00 0.00 64.34 61.35 1jeq n VAL 16 Cb 0.44 0.61 0.15 0.00 -1.47 0.00 0.00 33.84 33.57 1jeq n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jeq n GLY 17 N -0.39 -2.35 0.19 7.63 0.00 -1.21 0.30 105.19 109.36 1jeq n GLY 17 Ca 0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1jeq n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jeq h PHE 18 N -1.88 -0.37 0.00 1.61 3.57 -1.46 -1.92 116.94 116.49 1jeq h PHE 18 Ca -0.50 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1jeq h PHE 18 Cb 1.33 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1jeq h PHE 18 CO 0.23 -0.21 0.02 1.79 -2.23 0.00 0.00 178.31 177.91 1jeq h THR 19 N -0.22 0.00 0.00 4.41 1.35 -1.89 0.12 112.91 116.69 1jeq h THR 19 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.91 1jeq h THR 19 Cb 0.31 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1jeq h THR 19 CO -0.18 0.00 -0.09 0.24 -0.25 0.00 0.00 175.52 175.24 1jeq h MET 20 N 0.00 0.00 0.00 4.72 2.86 -1.67 -2.57 114.93 118.28 1jeq h MET 20 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1jeq h MET 20 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1jeq h MET 20 CO 0.00 0.09 -0.69 0.77 1.06 0.00 0.00 176.91 178.15 1jeq h SER 21 N 0.00 0.00 -1.20 1.22 0.02 -0.88 -0.53 113.55 112.18 1jeq h SER 21 Ca -0.00 0.00 -0.81 0.00 -0.84 0.00 0.00 61.79 60.14 1jeq h SER 21 Cb 0.39 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.96 1jeq h SER 21 CO 0.01 0.14 0.57 0.59 -1.14 0.00 0.00 176.83 177.00 1jeq n ASN 22 N -2.90 1.24 -4.06 3.07 4.13 -0.97 -4.85 115.26 110.91 1jeq n ASN 22 Ca 0.00 1.15 -0.32 0.00 1.68 0.00 0.00 54.58 57.09 1jeq n ASN 22 Cb 0.61 -0.98 -0.16 0.00 -1.54 0.00 0.00 39.78 37.71 1jeq n ASN 22 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1jeq s SER 23 N 2.15 3.70 0.16 6.41 1.04 -1.26 -4.43 113.70 121.46 1jeq s SER 23 Ca 0.98 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 56.13 1jeq s SER 23 Cb -1.29 -1.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.33 1jeq s SER 23 CO 0.69 -0.11 0.89 -0.63 0.98 0.00 0.00 173.24 175.05 1jeq s ILE 24 N 1.25 4.35 -0.03 -1.02 1.01 -1.26 -4.96 121.20 120.54 1jeq s ILE 24 Ca -0.02 1.94 -0.39 0.00 0.00 0.00 0.00 60.65 62.18 1jeq s ILE 24 Cb -0.17 -4.26 -0.18 0.00 0.01 0.00 0.00 42.46 37.87 1jeq s ILE 24 CO -0.09 0.43 1.32 -0.81 0.00 0.00 0.00 174.94 175.79 1jeq n PRO 25 N 2.08 0.68 0.00 2.79 -0.04 -1.26 -1.78 135.00 137.48 1jeq n PRO 25 Ca -0.02 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1jeq n PRO 25 Cb 0.48 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1jeq n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jeq n GLY 26 N 2.50 2.27 3.69 0.55 0.00 -1.26 -4.98 105.19 107.96 1jeq n GLY 26 Ca 0.21 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1jeq n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jeq s ILE 27 N -0.15 5.16 0.42 -0.61 1.01 -0.73 -5.05 121.20 121.24 1jeq s ILE 27 Ca 0.00 0.90 -0.26 0.00 0.00 0.00 0.00 60.65 61.29 1jeq s ILE 27 Cb 0.00 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 1jeq s ILE 27 CO 0.00 0.25 1.30 -0.62 0.00 0.00 0.00 174.94 175.87 1jeq n GLU 28 N 4.28 2.02 -1.87 2.79 1.02 -1.26 -4.15 120.64 123.47 1jeq n GLU 28 Ca -0.06 0.72 -0.32 0.00 -0.02 0.00 0.00 57.16 57.47 1jeq n GLU 28 Cb 0.51 -2.42 0.03 0.00 -0.02 0.00 0.00 31.44 29.53 1jeq n GLU 28 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1jeq s SER 29 N -0.49 5.52 0.30 1.62 1.04 -1.26 -4.79 113.70 115.65 1jeq s SER 29 Ca 0.60 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.91 1jeq s SER 29 Cb -0.50 -2.53 0.82 0.00 0.10 0.00 0.00 66.02 63.91 1jeq s SER 29 CO 0.59 -1.34 1.68 -0.65 0.98 0.00 0.00 173.24 174.49 1jeq h PRO 30 N 0.07 0.34 -0.63 4.02 0.11 -1.74 0.62 132.00 134.78 1jeq h PRO 30 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1jeq h PRO 30 Cb 1.22 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1jeq h PRO 30 CO 0.56 0.22 0.41 0.35 -0.21 0.00 0.00 178.00 179.33 1jeq h PHE 31 N 0.35 0.76 -0.14 0.65 3.57 -1.45 0.47 116.94 121.16 1jeq h PHE 31 Ca 0.61 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 62.00 1jeq h PHE 31 Cb 1.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1jeq h PHE 31 CO -0.13 0.46 -0.45 0.93 -2.23 0.00 0.00 178.31 176.89 1jeq h GLU 32 N 0.81 0.34 -0.04 1.11 4.39 -1.19 -0.76 114.58 119.24 1jeq h GLU 32 Ca 0.24 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1jeq h GLU 32 Cb -0.04 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1jeq h GLU 32 CO -0.08 0.73 -0.05 1.96 -1.16 0.00 0.00 179.01 180.40 1jeq h GLN 33 N 0.28 0.11 -0.77 2.33 4.20 -0.91 -1.69 115.11 118.66 1jeq h GLN 33 Ca 0.02 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1jeq h GLN 33 Cb 0.90 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.63 1jeq h GLN 33 CO 0.07 0.60 0.47 0.00 -0.67 0.00 0.00 178.83 179.31 1jeq h ALA 34 N 0.51 1.04 -0.97 3.87 0.00 -0.86 0.15 119.26 122.99 1jeq h ALA 34 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jeq h ALA 34 Cb 0.59 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1jeq h ALA 34 CO 0.01 0.21 0.64 -0.22 0.00 0.00 0.00 179.25 179.89 1jeq h LYS 35 N 0.88 1.19 -0.09 0.00 3.64 -1.06 0.16 116.57 121.28 1jeq h LYS 35 Ca 0.33 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1jeq h LYS 35 Cb 0.13 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1jeq h LYS 35 CO -0.16 0.78 0.00 0.87 -2.27 0.00 0.00 179.45 178.68 1jeq h LYS 36 N 1.22 0.15 -0.12 1.90 1.57 0.19 -1.92 116.57 119.56 1jeq h LYS 36 Ca 0.39 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1jeq h LYS 36 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jeq h LYS 36 CO -0.12 0.41 0.08 0.28 -0.57 0.00 0.00 179.45 179.52 1jeq h VAL 37 N -0.12 1.02 -0.83 0.50 2.07 -0.55 -1.40 116.25 116.93 1jeq h VAL 37 Ca 0.03 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1jeq h VAL 37 Cb 0.34 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1jeq h VAL 37 CO 0.00 0.03 0.49 0.40 0.02 0.00 0.00 177.57 178.51 1jeq h ILE 38 N 0.16 0.93 -0.04 4.57 2.04 -0.67 -0.89 117.51 123.61 1jeq h ILE 38 Ca 0.05 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1jeq h ILE 38 Cb -0.01 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1jeq h ILE 38 CO -0.02 0.15 -0.45 0.74 0.00 0.00 0.00 178.15 178.57 1jeq h THR 39 N 0.82 1.33 -0.47 -0.27 2.02 -1.11 -1.76 112.91 113.47 1jeq h THR 39 Ca 0.40 -1.58 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 1jeq h THR 39 Cb 0.34 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1jeq h THR 39 CO -0.24 0.46 0.02 -0.03 0.37 0.00 0.00 175.52 176.11 1jeq h MET 40 N 0.07 0.77 0.35 6.66 1.85 -0.05 0.22 114.93 124.80 1jeq h MET 40 Ca 0.00 -0.19 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 1jeq h MET 40 Cb 0.83 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.77 1jeq h MET 40 CO 0.06 0.76 -0.17 0.35 -0.40 0.00 0.00 176.91 177.51 1jeq h PHE 41 N 0.72 -0.44 -0.75 1.39 3.57 -0.97 -2.97 116.94 117.50 1jeq h PHE 41 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1jeq h PHE 41 Cb 0.41 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1jeq h PHE 41 CO 0.02 -0.11 0.49 0.28 -2.23 0.00 0.00 178.31 176.76 1jeq h VAL 42 N -0.95 1.18 0.02 1.41 2.07 -1.31 -2.00 116.25 116.67 1jeq h VAL 42 Ca -0.05 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1jeq h VAL 42 Cb 0.52 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1jeq h VAL 42 CO 0.08 0.18 -0.39 1.56 0.02 0.00 0.00 177.57 179.03 1jeq h GLN 43 N 1.00 -0.53 -0.45 1.57 4.20 -1.03 -1.21 115.11 118.66 1jeq h GLN 43 Ca 0.28 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.12 1jeq h GLN 43 Cb -0.10 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.71 1jeq h GLN 43 CO -0.07 -0.36 -0.14 -0.09 -0.67 0.00 0.00 178.83 177.51 1jeq h ARG 44 N -0.55 -0.03 -0.25 1.46 9.65 -1.31 -1.02 114.38 122.33 1jeq h ARG 44 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1jeq h ARG 44 Cb 0.63 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1jeq h ARG 44 CO -0.29 -0.02 0.16 1.96 2.80 0.00 0.00 179.97 184.58 1jeq h GLN 45 N -0.04 0.33 0.00 0.20 1.08 -0.82 -1.85 115.11 114.01 1jeq h GLN 45 Ca 0.22 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1jeq h GLN 45 Cb 0.37 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1jeq h GLN 45 CO -0.48 0.22 -0.03 0.28 -0.95 0.00 0.00 178.83 177.87 1jeq h VAL 46 N 0.34 0.34 0.00 -0.54 2.07 -0.03 -2.47 116.25 115.96 1jeq h VAL 46 Ca 0.09 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1jeq h VAL 46 Cb -0.03 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jeq h VAL 46 CO -0.02 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.18 1jeq n PHE 47 N -4.74 0.82 0.11 1.57 3.01 -0.60 -1.62 117.46 116.01 1jeq n PHE 47 Ca -0.02 0.31 0.08 0.00 1.01 0.00 0.00 57.45 58.84 1jeq n PHE 47 Cb 0.10 -1.01 0.01 0.00 -0.01 0.00 0.00 39.48 38.58 1jeq n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jeq h ALA 48 N 2.28 0.62 -0.50 4.37 0.00 -1.47 -3.48 119.26 121.08 1jeq h ALA 48 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1jeq h ALA 48 Cb 0.39 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1jeq h ALA 48 CO 0.00 0.24 -0.13 0.39 0.00 0.00 0.00 179.25 179.75 1jeq n GLU 49 N -2.83 -0.44 -2.12 0.00 1.02 -0.64 -5.01 120.64 110.63 1jeq n GLU 49 Ca -0.01 0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 57.29 1jeq n GLU 49 Cb 0.62 -4.33 -0.00 0.00 -0.02 0.00 0.00 31.44 27.71 1jeq n GLU 49 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1jeq s ASN 50 N -2.86 6.17 -0.23 1.62 0.01 -0.95 -4.91 114.94 113.80 1jeq s ASN 50 Ca 0.00 2.52 0.07 0.00 -0.71 0.00 0.00 52.86 54.74 1jeq s ASN 50 Cb 0.00 -2.62 0.56 0.00 0.41 0.00 0.00 41.25 39.60 1jeq s ASN 50 CO 0.00 -0.93 1.51 0.29 -1.51 0.00 0.00 177.10 176.46 1jeq n LYS 51 N -0.20 3.15 -2.40 -0.60 4.76 -1.26 -4.86 118.16 116.74 1jeq n LYS 51 Ca 0.06 -2.27 -0.41 0.00 -2.87 0.00 0.00 58.31 52.82 1jeq n LYS 51 Cb 0.45 -1.99 -0.03 0.00 -1.84 0.00 0.00 35.03 31.62 1jeq n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jeq s ASP 52 N -0.61 7.12 0.11 4.39 1.01 -1.26 -4.72 116.67 122.70 1jeq s ASP 52 Ca 0.41 2.18 -0.15 0.00 0.71 0.00 0.00 52.55 55.70 1jeq s ASP 52 Cb 0.32 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.58 1jeq s ASP 52 CO 0.10 -0.36 0.53 -1.61 0.21 0.00 0.00 175.17 174.04 1jeq s GLU 53 N -0.10 4.00 -0.06 8.23 2.02 -0.17 -4.49 118.70 128.12 1jeq s GLU 53 Ca 0.53 0.51 0.02 0.00 0.02 0.00 0.00 54.97 56.05 1jeq s GLU 53 Cb -0.32 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1jeq s GLU 53 CO 0.35 0.54 -0.11 0.42 0.02 0.00 0.00 175.26 176.48 1jeq s ILE 54 N -1.34 1.07 0.09 -1.63 1.01 -0.55 -0.70 121.20 119.15 1jeq s ILE 54 Ca 0.34 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1jeq s ILE 54 Cb -0.16 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1jeq s ILE 54 CO 0.18 0.34 -0.13 0.00 0.00 0.00 0.00 174.94 175.33 1jeq s ALA 55 N 0.65 2.83 -0.18 9.38 0.00 -0.08 -3.39 121.76 130.96 1jeq s ALA 55 Ca -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1jeq s ALA 55 Cb -0.15 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1jeq s ALA 55 CO 0.03 0.62 -0.10 -1.17 0.00 0.00 0.00 175.76 175.14 1jeq s LEU 56 N -2.05 1.94 0.10 0.00 2.96 0.90 -0.56 118.68 121.96 1jeq s LEU 56 Ca 0.19 -0.72 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1jeq s LEU 56 Cb -0.11 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1jeq s LEU 56 CO 0.11 -0.13 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 1jeq s VAL 57 N 1.49 4.71 -0.02 1.68 1.01 -0.39 -1.68 120.40 127.19 1jeq s VAL 57 Ca 0.01 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1jeq s VAL 57 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1jeq s VAL 57 CO -0.09 0.07 -0.07 -0.76 0.00 0.00 0.00 175.10 174.26 1jeq s LEU 58 N -2.59 1.77 -0.06 3.92 1.43 0.40 -0.70 118.68 122.86 1jeq s LEU 58 Ca 0.31 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1jeq s LEU 58 Cb -0.12 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.68 1jeq s LEU 58 CO 0.24 0.04 -0.09 0.72 0.23 0.00 0.00 176.35 177.49 1jeq s PHE 59 N 0.21 1.17 0.00 0.29 -0.12 -1.08 0.22 117.98 118.67 1jeq s PHE 59 Ca -0.03 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 1jeq s PHE 59 Cb -0.07 -0.91 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 1jeq s PHE 59 CO 0.00 -0.25 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 1jeq n GLY 60 N 3.95 1.21 3.77 1.99 0.00 0.21 -1.30 105.19 115.02 1jeq n GLY 60 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1jeq n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jeq s THR 61 N -2.00 3.26 0.31 2.61 -4.23 -0.94 -3.60 115.64 111.04 1jeq s THR 61 Ca 0.00 0.59 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1jeq s THR 61 Cb 0.00 -3.11 0.10 0.00 1.34 0.00 0.00 72.50 70.82 1jeq s THR 61 CO 0.00 -0.36 1.78 0.44 -0.54 0.00 0.00 174.62 175.93 1jeq h ASP 62 N 0.05 0.43 -5.62 3.99 3.32 -1.95 -3.42 116.42 113.23 1jeq h ASP 62 Ca -0.47 -0.13 -0.36 0.00 0.02 0.00 0.00 57.03 56.09 1jeq h ASP 62 Cb 1.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1jeq h ASP 62 CO 0.54 0.64 -0.09 0.61 -1.72 0.00 0.00 179.24 179.22 1jeq n GLY 63 N -0.53 2.23 2.98 2.75 0.00 -1.26 -4.85 105.19 106.51 1jeq n GLY 63 Ca -0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 1jeq n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jeq s THR 64 N -1.67 1.38 -0.41 2.61 2.01 -1.26 -3.76 115.64 114.55 1jeq s THR 64 Ca 0.36 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1jeq s THR 64 Cb -0.03 -1.32 0.17 0.00 0.01 0.00 0.00 72.50 71.32 1jeq s THR 64 CO 0.23 0.43 0.34 -0.62 -0.69 0.00 0.00 174.62 174.31 1jeq s ASP 65 N 1.53 1.48 -0.12 3.53 -1.08 -1.02 -4.97 116.67 116.01 1jeq s ASP 65 Ca 0.04 -2.81 -0.24 0.00 -0.52 0.00 0.00 52.55 49.02 1jeq s ASP 65 Cb -0.13 -0.27 0.06 0.00 -1.46 0.00 0.00 42.92 41.12 1jeq s ASP 65 CO -0.09 -0.19 0.59 0.54 0.52 0.00 0.00 175.17 176.54 1jeq s ASN 66 N 0.31 -0.58 0.47 -0.34 2.20 -1.25 -1.06 114.94 114.69 1jeq s ASN 66 Ca 0.30 0.85 0.34 0.00 -0.94 0.00 0.00 52.86 53.41 1jeq s ASN 66 Cb -0.01 0.82 1.48 0.00 -2.00 0.00 0.00 41.25 41.54 1jeq s ASN 66 CO -0.15 -0.41 1.64 -0.65 -2.94 0.00 0.00 177.10 174.59 1jeq h PRO 67 N 4.09 0.08 -0.19 3.55 0.11 -1.97 -0.68 132.00 137.00 1jeq h PRO 67 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1jeq h PRO 67 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jeq h PRO 67 CO 0.27 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.39 1jeq n LEU 68 N -4.49 2.51 0.00 2.35 4.77 -1.26 -4.46 117.00 116.42 1jeq n LEU 68 Ca 0.37 -0.99 0.04 0.00 -0.03 0.00 0.00 56.01 55.40 1jeq n LEU 68 Cb 1.50 -0.11 0.21 0.00 -2.33 0.00 0.00 43.42 42.68 1jeq n LEU 68 CO 0.28 0.49 0.52 -1.54 -1.33 0.00 0.00 177.39 175.81 1jeq n SER 69 N 0.90 0.00 -4.55 -1.43 3.41 -0.26 -4.67 113.62 107.02 1jeq n SER 69 Ca 0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 1jeq n SER 69 Cb 0.48 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1jeq n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jeq n GLY 70 N -0.58 0.47 0.00 5.00 0.00 -1.26 -3.26 105.19 105.55 1jeq n GLY 70 Ca 0.05 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1jeq n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jeq n GLY 71 N 6.05 0.93 3.97 -0.02 0.00 -1.26 -4.61 105.19 110.24 1jeq n GLY 71 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1jeq n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jeq n ASP 72 N 0.00 -2.33 -4.34 1.61 9.92 -1.20 -4.97 116.55 115.24 1jeq n ASP 72 Ca 0.00 -0.92 -0.18 0.00 -0.53 0.00 0.00 54.79 53.17 1jeq n ASP 72 Cb 0.00 -3.36 -0.10 0.00 -0.64 0.00 0.00 41.12 37.01 1jeq n ASP 72 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1jeq s GLN 73 N -6.57 1.38 -1.72 -1.24 -0.21 -1.25 -4.76 119.66 105.29 1jeq s GLN 73 Ca 0.35 -1.71 -0.14 0.00 0.02 0.00 0.00 55.36 53.88 1jeq s GLN 73 Cb -0.18 -0.62 0.14 0.00 1.00 0.00 0.00 33.01 33.34 1jeq s GLN 73 CO 0.87 -0.12 0.43 0.66 -2.12 0.00 0.00 175.29 175.01 1jeq n TYR 74 N -0.46 -1.32 -2.48 0.91 4.02 -1.26 -4.35 117.16 112.23 1jeq n TYR 74 Ca -0.04 0.69 -0.33 0.00 -0.01 0.00 0.00 57.90 58.20 1jeq n TYR 74 Cb 0.64 -2.45 -0.03 0.00 -0.02 0.00 0.00 39.34 37.48 1jeq n TYR 74 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1jeq s GLN 75 N -7.19 3.79 -1.52 -0.72 -1.52 -1.26 -3.76 119.66 107.47 1jeq s GLN 75 Ca 0.51 1.26 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 1jeq s GLN 75 Cb -0.29 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1jeq s GLN 75 CO 0.99 -0.43 0.00 0.09 -0.25 0.00 0.00 175.29 175.70 1jeq n ASN 76 N -1.16 -4.73 -4.30 5.90 3.02 -1.25 -4.67 115.26 108.09 1jeq n ASN 76 Ca 0.09 0.32 -0.33 0.00 -0.03 0.00 0.00 54.58 54.63 1jeq n ASN 76 Cb 0.53 -3.55 -0.15 0.00 -0.61 0.00 0.00 39.78 36.00 1jeq n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jeq s ILE 77 N -2.56 2.88 -0.08 2.41 1.01 -1.25 0.64 121.20 124.25 1jeq s ILE 77 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1jeq s ILE 77 Cb 0.00 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1jeq s ILE 77 CO 0.00 0.50 -0.20 -0.89 0.00 0.00 0.00 174.94 174.36 1jeq s THR 78 N 0.82 1.71 -1.19 2.92 2.01 0.60 -2.44 115.64 120.07 1jeq s THR 78 Ca -0.04 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 1jeq s THR 78 Cb -0.15 -1.49 0.19 0.00 0.01 0.00 0.00 72.50 71.06 1jeq s THR 78 CO 0.00 0.48 1.37 -0.69 -0.69 0.00 0.00 174.62 175.09 1jeq s VAL 79 N 0.38 5.22 0.38 3.82 1.01 -0.22 0.15 120.40 131.14 1jeq s VAL 79 Ca -0.15 -2.78 0.10 0.00 0.00 0.00 0.00 61.98 59.15 1jeq s VAL 79 Cb -0.16 -4.85 0.33 0.00 0.00 0.00 0.00 36.38 31.69 1jeq s VAL 79 CO 0.06 -1.54 1.91 -0.74 0.00 0.00 0.00 175.10 174.79 1jeq h HIS 80 N 7.07 0.69 -3.12 5.22 6.17 -1.62 -3.41 115.15 126.15 1jeq h HIS 80 Ca 0.29 0.02 -0.27 0.00 0.71 0.00 0.00 60.37 61.11 1jeq h HIS 80 Cb 0.87 -0.22 -0.34 0.00 2.52 0.00 0.00 27.41 30.24 1jeq h HIS 80 CO 1.04 0.29 -0.62 0.50 0.71 0.00 0.00 177.93 179.85 1jeq s ARG 81 N -5.59 0.06 0.74 5.26 6.06 -0.70 -4.95 118.95 119.84 1jeq s ARG 81 Ca -0.09 0.52 -0.11 0.00 -2.50 0.00 0.00 55.73 53.55 1jeq s ARG 81 Cb 0.21 -0.23 0.05 0.00 0.06 0.00 0.00 34.95 35.03 1jeq s ARG 81 CO 0.78 -0.26 1.11 -1.01 -2.50 0.00 0.00 175.30 173.41 1jeq s HIS 82 N 1.96 3.12 -0.03 5.12 3.76 -1.26 -0.07 115.29 127.89 1jeq s HIS 82 Ca -0.01 0.83 -0.35 0.00 -0.15 0.00 0.00 55.06 55.38 1jeq s HIS 82 Cb -0.12 -3.23 -0.13 0.00 1.11 0.00 0.00 32.58 30.21 1jeq s HIS 82 CO -0.06 -1.42 1.75 1.28 -0.85 0.00 0.00 174.74 175.43 1jeq n LEU 83 N -3.09 3.12 0.00 0.89 4.77 -1.26 -4.40 117.00 117.03 1jeq n LEU 83 Ca 0.07 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 1jeq n LEU 83 Cb 0.59 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1jeq n LEU 83 CO 0.56 -0.22 0.00 1.15 -1.33 0.00 0.00 177.39 177.55 1jeq n MET 84 N 5.33 0.00 -1.34 3.23 0.00 -1.22 -4.89 117.12 118.22 1jeq n MET 84 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.54 1jeq n MET 84 Cb 0.27 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.53 1jeq n MET 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1jeq n LEU 85 N 0.00 -0.32 -4.85 3.17 4.77 -1.26 -1.48 117.00 117.03 1jeq n LEU 85 Ca 0.00 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.27 1jeq n LEU 85 Cb 0.00 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 1jeq n LEU 85 CO 0.00 -3.52 0.15 -2.16 -1.33 0.00 0.00 177.39 170.53 1jeq s PRO 86 N -2.09 3.90 0.40 3.23 0.04 -1.26 -4.75 135.00 134.47 1jeq s PRO 86 Ca 0.64 0.38 0.05 0.00 0.04 0.00 0.00 61.00 62.11 1jeq s PRO 86 Cb -0.41 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1jeq s PRO 86 CO 0.59 0.58 0.17 0.16 0.04 0.00 0.00 177.00 178.53 1jeq s ASP 87 N -1.52 2.57 0.50 6.66 1.47 -1.26 -4.79 116.67 120.29 1jeq s ASP 87 Ca 0.32 -1.72 0.22 0.00 1.18 0.00 0.00 52.55 52.55 1jeq s ASP 87 Cb -0.15 0.56 1.29 0.00 -0.34 0.00 0.00 42.92 44.28 1jeq s ASP 87 CO 0.17 -0.99 2.06 -0.26 0.68 0.00 0.00 175.17 176.83 1jeq h PHE 88 N 1.85 0.00 0.00 2.11 -1.00 -1.99 -1.08 116.94 116.82 1jeq h PHE 88 Ca -0.32 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.44 1jeq h PHE 88 Cb 1.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.82 1jeq h PHE 88 CO 1.62 0.13 -0.09 -0.44 -1.61 0.00 0.00 178.31 177.92 1jeq h ASP 89 N 0.00 0.00 0.25 2.17 5.19 -1.99 0.27 116.42 122.31 1jeq h ASP 89 Ca -0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 1jeq h ASP 89 Cb 0.29 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.83 1jeq h ASP 89 CO 0.02 0.09 -1.53 0.25 -3.12 0.00 0.00 179.24 174.95 1jeq h LEU 90 N 0.00 0.81 -0.30 1.55 5.85 -1.60 -2.92 115.31 118.69 1jeq h LEU 90 Ca -0.00 -0.92 -0.02 0.00 0.84 0.00 0.00 57.88 57.78 1jeq h LEU 90 Cb 0.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1jeq h LEU 90 CO 0.01 1.73 0.10 -0.07 -0.34 0.00 0.00 178.44 179.87 1jeq h LEU 91 N 0.14 0.44 -1.51 2.25 3.38 -1.07 -2.15 115.31 116.79 1jeq h LEU 91 Ca -0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1jeq h LEU 91 Cb 2.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1jeq h LEU 91 CO 0.26 0.52 0.02 -0.08 0.09 0.00 0.00 178.44 179.26 1jeq h GLU 92 N 0.33 0.34 -0.55 1.13 4.81 -0.63 -1.61 114.58 118.40 1jeq h GLU 92 Ca 0.10 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1jeq h GLU 92 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1jeq h GLU 92 CO -0.00 0.35 0.08 -0.44 -0.73 0.00 0.00 179.01 178.26 1jeq h ASP 93 N 0.33 0.84 -0.31 1.04 5.19 -1.25 -2.44 116.42 119.82 1jeq h ASP 93 Ca 0.08 -0.18 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 1jeq h ASP 93 Cb 0.19 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1jeq h ASP 93 CO 0.00 0.85 -0.20 0.40 -3.12 0.00 0.00 179.24 177.17 1jeq h ILE 94 N 0.84 1.30 0.00 0.35 1.08 -0.67 -0.15 117.51 120.25 1jeq h ILE 94 Ca 0.17 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1jeq h ILE 94 Cb 0.39 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1jeq h ILE 94 CO 0.01 0.43 0.00 -0.62 -0.69 0.00 0.00 178.15 177.28 1jeq n GLU 95 N -4.33 0.00 0.00 2.37 1.02 -0.95 -4.67 120.64 114.08 1jeq n GLU 95 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1jeq n GLU 95 Cb 0.42 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1jeq n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jeq n SER 96 N -0.49 0.00 0.00 1.62 2.88 -0.93 -4.67 113.62 112.03 1jeq n SER 96 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jeq n SER 96 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jeq n SER 96 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1jeq n LYS 97 N 0.00 0.00 -1.68 -1.46 4.81 -1.25 -4.49 118.16 114.09 1jeq n LYS 97 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.98 1jeq n LYS 97 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1jeq n LYS 97 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1jeq n ILE 98 N 0.00 0.23 -4.42 3.15 5.41 -0.07 -5.01 119.36 118.66 1jeq n ILE 98 Ca 0.00 -0.04 -0.20 0.00 1.00 0.00 0.00 62.75 63.50 1jeq n ILE 98 Cb 0.00 -1.76 -0.10 0.00 -0.71 0.00 0.00 39.64 37.07 1jeq n ILE 98 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1jeq s GLN 99 N 2.15 1.61 0.47 0.38 -0.21 -1.26 -4.87 119.66 117.93 1jeq s GLN 99 Ca 0.83 -1.90 -0.24 0.00 0.02 0.00 0.00 55.36 54.07 1jeq s GLN 99 Cb -0.64 -0.66 -0.07 0.00 1.00 0.00 0.00 33.01 32.64 1jeq s GLN 99 CO 0.41 -0.25 1.27 -2.14 -2.12 0.00 0.00 175.29 172.46 1jeq s PRO 100 N -3.91 3.63 0.52 2.91 0.02 -1.26 -5.02 135.00 131.90 1jeq s PRO 100 Ca 0.36 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1jeq s PRO 100 Cb 0.08 -2.48 0.10 0.00 0.02 0.00 0.00 34.50 32.22 1jeq s PRO 100 CO 0.15 -0.73 0.72 0.41 -0.33 0.00 0.00 177.00 177.22 1jeq n GLY 101 N 0.60 1.08 0.00 0.52 0.00 0.15 -5.01 105.19 102.53 1jeq n GLY 101 Ca 0.07 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.05 1jeq n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jeq n SER 102 N -2.79 2.83 -4.96 1.61 7.64 -1.25 -3.42 113.62 113.28 1jeq n SER 102 Ca 0.13 -0.12 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 1jeq n SER 102 Cb 0.46 1.27 0.06 0.00 -1.01 0.00 0.00 64.21 64.98 1jeq n SER 102 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jeq s GLN 103 N -2.35 2.31 -0.32 1.43 -1.52 -1.24 -4.55 119.66 113.42 1jeq s GLN 103 Ca -0.02 -1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 51.96 1jeq s GLN 103 Cb 0.05 -2.61 0.11 0.00 -0.22 0.00 0.00 33.01 30.34 1jeq s GLN 103 CO 0.30 -0.84 0.14 -0.65 -0.25 0.00 0.00 175.29 173.99 1jeq s GLN 104 N -4.69 0.59 0.63 2.91 -1.52 -1.26 -2.19 119.66 114.12 1jeq s GLN 104 Ca 0.61 -1.04 -0.15 0.00 -1.95 0.00 0.00 55.36 52.83 1jeq s GLN 104 Cb -0.07 -1.67 -0.02 0.00 -0.22 0.00 0.00 33.01 31.04 1jeq s GLN 104 CO 0.39 -1.05 1.07 0.00 -0.25 0.00 0.00 175.29 175.45 1jeq s ALA 105 N 1.55 2.64 -0.29 6.09 0.00 -1.26 -4.93 121.76 125.56 1jeq s ALA 105 Ca 0.12 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 1jeq s ALA 105 Cb -0.18 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1jeq s ALA 105 CO -0.22 -1.01 1.61 0.34 0.00 0.00 0.00 175.76 176.47 1jeq s ASP 106 N -2.84 6.26 0.34 0.00 -1.08 -1.26 -4.87 116.67 113.23 1jeq s ASP 106 Ca 0.64 1.38 0.08 0.00 -0.52 0.00 0.00 52.55 54.13 1jeq s ASP 106 Cb -0.17 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.55 1jeq s ASP 106 CO 0.40 -1.39 1.85 2.19 0.52 0.00 0.00 175.17 178.74 1jeq h PHE 107 N 11.20 0.87 -0.00 -5.34 -5.15 -1.92 -0.45 116.94 116.16 1jeq h PHE 107 Ca -0.32 0.03 -0.15 0.00 -0.20 0.00 0.00 57.97 57.32 1jeq h PHE 107 Cb 1.15 -0.27 -0.02 0.00 0.22 0.00 0.00 35.95 37.02 1jeq h PHE 107 CO 0.93 0.30 -0.71 -0.07 -2.00 0.00 0.00 178.31 176.76 1jeq h LEU 108 N 0.72 0.03 -0.55 2.10 3.38 -1.92 -2.52 115.31 116.55 1jeq h LEU 108 Ca 0.48 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1jeq h LEU 108 Cb 0.76 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1jeq h LEU 108 CO -0.24 0.73 0.32 0.44 0.09 0.00 0.00 178.44 179.78 1jeq h ASP 109 N 0.02 0.68 -0.09 -0.43 3.32 -1.48 0.30 116.42 118.74 1jeq h ASP 109 Ca -0.01 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1jeq h ASP 109 Cb 1.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1jeq h ASP 109 CO 0.09 0.56 -0.06 0.00 -1.72 0.00 0.00 179.24 178.12 1jeq h ALA 110 N 1.15 0.02 -0.35 3.45 0.00 -1.17 -0.36 119.26 122.00 1jeq h ALA 110 Ca 0.20 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1jeq h ALA 110 Cb 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1jeq h ALA 110 CO -0.03 -0.52 -0.23 1.25 0.00 0.00 0.00 179.25 179.72 1jeq h LEU 111 N -0.06 -0.75 -0.41 0.00 5.85 -1.00 0.52 115.31 119.46 1jeq h LEU 111 Ca 0.05 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1jeq h LEU 111 Cb 0.14 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1jeq h LEU 111 CO -0.12 -0.26 0.10 0.40 -0.34 0.00 0.00 178.44 178.22 1jeq h ILE 112 N -0.18 0.81 -0.91 4.05 2.04 -0.30 0.44 117.51 123.46 1jeq h ILE 112 Ca 0.17 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1jeq h ILE 112 Cb 0.45 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1jeq h ILE 112 CO -0.46 0.04 0.60 0.58 0.00 0.00 0.00 178.15 178.92 1jeq h VAL 113 N 0.24 1.19 -0.72 1.67 2.07 0.41 0.81 116.25 121.93 1jeq h VAL 113 Ca 0.20 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1jeq h VAL 113 Cb 0.23 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1jeq h VAL 113 CO -0.24 0.22 0.21 0.28 0.02 0.00 0.00 177.57 178.05 1jeq h SER 114 N 1.19 1.07 -0.16 0.57 0.02 0.18 -1.78 113.55 114.64 1jeq h SER 114 Ca 0.35 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1jeq h SER 114 Cb -0.06 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1jeq h SER 114 CO -0.09 1.00 -0.14 0.24 -1.14 0.00 0.00 176.83 176.70 1jeq h MET 115 N 1.08 0.54 -0.15 3.45 2.07 0.11 -2.58 114.93 119.43 1jeq h MET 115 Ca 0.23 -0.17 -0.11 0.00 -2.07 0.00 0.00 59.70 57.59 1jeq h MET 115 Cb 0.33 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1jeq h MET 115 CO -0.00 0.67 -0.37 0.22 1.07 0.00 0.00 176.91 178.49 1jeq h ASP 116 N 0.49 0.34 -0.08 1.22 3.58 -0.41 -1.25 116.42 120.31 1jeq h ASP 116 Ca 0.09 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1jeq h ASP 116 Cb 0.54 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1jeq h ASP 116 CO 0.03 0.69 0.04 0.58 -2.88 0.00 0.00 179.24 177.70 1jeq h VAL 117 N 0.28 1.11 0.24 2.25 2.07 -0.94 -2.52 116.25 118.73 1jeq h VAL 117 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jeq h VAL 117 Cb 0.78 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1jeq h VAL 117 CO 0.06 0.09 -0.15 0.40 0.02 0.00 0.00 177.57 178.00 1jeq h ILE 118 N 0.02 0.00 -0.71 4.57 2.04 -1.33 -1.44 117.51 120.66 1jeq h ILE 118 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1jeq h ILE 118 Cb 0.11 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.11 1jeq h ILE 118 CO -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.73 1jeq n GLN 119 N -3.14 -0.31 -0.06 2.37 6.02 -0.50 -1.30 117.38 120.46 1jeq n GLN 119 Ca -0.04 1.23 -0.14 0.00 -0.01 0.00 0.00 57.00 58.04 1jeq n GLN 119 Cb 0.15 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.53 1jeq n GLN 119 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jeq h HIS 120 N 0.00 0.66 0.00 1.08 2.76 -1.52 -3.24 115.15 114.89 1jeq h HIS 120 Ca 0.11 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1jeq h HIS 120 Cb 0.29 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1jeq h HIS 120 CO -0.88 0.95 0.00 0.39 -1.30 0.00 0.00 177.93 177.09 1jeq n GLU 121 N -4.35 0.88 -0.00 5.26 1.02 -0.54 -3.29 120.64 119.61 1jeq n GLU 121 Ca -0.06 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1jeq n GLU 121 Cb 0.48 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 1jeq n GLU 121 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jeq n THR 122 N -0.83 0.00 -0.26 2.62 -2.24 -0.42 -4.73 114.28 108.42 1jeq n THR 122 Ca 0.14 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1jeq n THR 122 Cb 0.06 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 1jeq n THR 122 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1jeq h ILE 123 N 0.00 0.00 0.00 2.28 2.04 -1.64 -0.48 117.51 119.72 1jeq h ILE 123 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jeq h ILE 123 Cb 0.42 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1jeq h ILE 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1jeq n GLY 124 N -1.30 -0.91 3.90 5.37 0.00 -1.26 -4.85 105.19 106.13 1jeq n GLY 124 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1jeq n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jeq s LYS 125 N -2.57 2.25 -0.32 1.61 1.02 -0.19 -5.11 119.74 116.44 1jeq s LYS 125 Ca 0.18 -2.03 0.02 0.00 0.02 0.00 0.00 55.97 54.15 1jeq s LYS 125 Cb 0.13 -2.08 0.10 0.00 -0.52 0.00 0.00 37.83 35.46 1jeq s LYS 125 CO 0.29 -0.61 0.06 0.21 -0.92 0.00 0.00 175.35 174.38 1jeq s LYS 126 N -4.27 1.20 0.06 1.68 2.20 -1.26 -5.01 119.74 114.35 1jeq s LYS 126 Ca 0.33 -1.48 0.05 0.00 -0.36 0.00 0.00 55.97 54.51 1jeq s LYS 126 Cb -0.02 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1jeq s LYS 126 CO 0.20 -0.92 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.15 1jeq s PHE 127 N 1.23 2.87 -0.12 4.03 0.40 -1.26 -4.66 117.98 120.46 1jeq s PHE 127 Ca 0.09 -0.07 0.17 0.00 -0.60 0.00 0.00 56.93 56.51 1jeq s PHE 127 Cb -0.18 -1.53 -0.21 0.00 0.51 0.00 0.00 43.02 41.61 1jeq s PHE 127 CO -0.15 0.42 0.53 -1.91 0.70 0.00 0.00 175.22 174.82 1jeq n GLU 128 N 0.97 0.65 -3.77 0.44 2.13 0.34 -4.92 120.64 116.49 1jeq n GLU 128 Ca -0.13 0.12 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 1jeq n GLU 128 Cb 0.52 -1.69 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 1jeq n GLU 128 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1jeq s LYS 129 N -2.80 0.17 -0.17 5.31 1.02 -1.13 -5.02 119.74 117.12 1jeq s LYS 129 Ca -0.06 0.37 -0.03 0.00 0.02 0.00 0.00 55.97 56.28 1jeq s LYS 129 Cb 0.08 -0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1jeq s LYS 129 CO 0.83 -0.11 -0.07 1.03 -0.92 0.00 0.00 175.35 176.11 1jeq s ARG 130 N 0.78 3.48 0.03 1.68 3.00 -1.26 -0.71 118.95 125.95 1jeq s ARG 130 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 55.73 55.08 1jeq s ARG 130 Cb -0.07 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 32.00 1jeq s ARG 130 CO -0.04 0.08 -0.05 -1.58 0.00 0.00 0.00 175.30 173.71 1jeq s HIS 131 N 0.74 0.47 -0.03 -0.53 2.46 -0.31 -0.96 115.29 117.12 1jeq s HIS 131 Ca -0.03 -0.44 0.04 0.00 0.47 0.00 0.00 55.06 55.10 1jeq s HIS 131 Cb -0.15 -0.30 -0.00 0.00 -0.13 0.00 0.00 32.58 32.00 1jeq s HIS 131 CO 0.02 -0.11 -0.15 0.42 -2.47 0.00 0.00 174.74 172.45 1jeq s ILE 132 N -1.20 1.25 -0.16 0.89 1.01 -0.68 -1.25 121.20 121.06 1jeq s ILE 132 Ca -0.10 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1jeq s ILE 132 Cb -0.09 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1jeq s ILE 132 CO -0.00 0.36 -0.16 -1.61 0.00 0.00 0.00 174.94 173.53 1jeq s GLU 133 N 0.02 2.53 -0.12 2.79 2.02 -0.29 -1.95 118.70 123.71 1jeq s GLU 133 Ca -0.02 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 1jeq s GLU 133 Cb -0.10 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1jeq s GLU 133 CO 0.01 -0.21 -0.04 0.42 0.02 0.00 0.00 175.26 175.46 1jeq s ILE 134 N 1.38 3.87 -0.17 -1.63 1.09 -0.55 -0.06 121.20 125.13 1jeq s ILE 134 Ca 0.04 -0.39 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 1jeq s ILE 134 Cb -0.13 -2.65 0.02 0.00 -1.06 0.00 0.00 42.46 38.64 1jeq s ILE 134 CO -0.11 0.54 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.75 1jeq s PHE 135 N -0.14 2.50 0.19 3.97 0.40 -0.58 -0.64 117.98 123.68 1jeq s PHE 135 Ca 0.03 -1.47 -0.23 0.00 -0.60 0.00 0.00 56.93 54.65 1jeq s PHE 135 Cb -0.13 -1.76 0.05 0.00 0.51 0.00 0.00 43.02 41.69 1jeq s PHE 135 CO 0.03 -0.75 0.76 -0.08 0.70 0.00 0.00 175.22 175.88 1jeq s THR 136 N 1.38 0.00 -1.62 0.64 -1.32 -0.88 -0.50 115.64 113.33 1jeq s THR 136 Ca 0.04 -0.56 0.17 0.00 -1.21 0.00 0.00 61.69 60.13 1jeq s THR 136 Cb -0.13 -1.63 0.42 0.00 -1.51 0.00 0.00 72.50 69.65 1jeq s THR 136 CO -0.12 0.00 1.34 -0.90 -2.21 0.00 0.00 174.62 172.74 1jeq n ASP 137 N -0.42 3.29 -3.35 8.08 5.75 -1.26 -4.18 116.55 124.46 1jeq n ASP 137 Ca -0.08 -1.95 -0.21 0.00 -0.01 0.00 0.00 54.79 52.53 1jeq n ASP 137 Cb 0.61 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1jeq n ASP 137 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jeq n LEU 138 N 1.10 -1.07 0.18 -2.12 4.77 -1.26 -4.81 117.00 113.79 1jeq n LEU 138 Ca 0.17 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 55.89 1jeq n LEU 138 Cb 0.51 -1.79 0.18 0.00 -2.33 0.00 0.00 43.42 39.99 1jeq n LEU 138 CO 0.12 0.10 0.64 0.77 -1.33 0.00 0.00 177.39 177.68 1jeq h SER 139 N -0.69 0.00 -5.52 -1.43 4.64 -1.92 -3.15 113.55 105.48 1jeq h SER 139 Ca -0.36 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.42 1jeq h SER 139 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1jeq h SER 139 CO 0.48 0.32 -0.28 -1.20 -0.87 0.00 0.00 176.83 175.29 1jeq n SER 140 N -3.25 2.70 -4.78 4.97 7.64 -1.26 -4.53 113.62 115.12 1jeq n SER 140 Ca 0.02 -2.77 -0.30 0.00 1.01 0.00 0.00 58.87 56.83 1jeq n SER 140 Cb 0.61 0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.91 1jeq n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jeq s ARG 141 N -4.00 2.11 0.00 1.43 0.52 -1.26 -4.92 118.95 112.83 1jeq s ARG 141 Ca 0.24 0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 56.05 1jeq s ARG 141 Cb -0.02 -1.90 0.10 0.00 0.52 0.00 0.00 34.95 33.65 1jeq s ARG 141 CO 0.15 -1.67 0.84 -0.59 0.02 0.00 0.00 175.30 174.06 1jeq s PHE 142 N -3.02 -0.40 -0.25 -0.53 -0.12 -1.26 -4.35 117.98 108.05 1jeq s PHE 142 Ca 0.61 0.34 -0.14 0.00 -0.05 0.00 0.00 56.93 57.68 1jeq s PHE 142 Cb -0.16 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1jeq s PHE 142 CO 0.55 -0.58 0.34 0.45 -0.05 0.00 0.00 175.22 175.94 1jeq s SER 143 N -2.29 6.26 0.04 1.98 0.15 -1.26 -4.94 113.70 113.64 1jeq s SER 143 Ca 0.03 0.30 0.18 0.00 0.70 0.00 0.00 55.95 57.16 1jeq s SER 143 Cb -0.01 -2.20 0.77 0.00 -1.71 0.00 0.00 66.02 62.87 1jeq s SER 143 CO -0.07 -0.12 1.58 0.29 1.20 0.00 0.00 173.24 176.11 1jeq n LYS 144 N 5.00 0.03 -0.01 5.44 5.02 -1.26 -3.79 118.16 128.59 1jeq n LYS 144 Ca -0.10 0.23 0.22 0.00 -2.02 0.00 0.00 58.31 56.65 1jeq n LYS 144 Cb 0.51 -1.56 0.72 0.00 -0.02 0.00 0.00 35.03 34.68 1jeq n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jeq h SER 145 N 0.00 0.00 1.01 4.39 4.64 -2.06 -2.16 113.55 119.38 1jeq h SER 145 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1jeq h SER 145 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1jeq h SER 145 CO 0.00 0.00 -1.05 1.56 -0.87 0.00 0.00 176.83 176.47 1jeq h GLN 146 N 0.00 0.00 -0.72 4.77 1.08 -2.01 -3.38 115.11 114.86 1jeq h GLN 146 Ca 0.28 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.68 1jeq h GLN 146 Cb 1.21 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.50 1jeq h GLN 146 CO -0.00 0.49 0.04 1.28 -0.95 0.00 0.00 178.83 179.68 1jeq n LEU 147 N -3.09 -0.07 0.01 1.46 4.77 -0.81 -0.19 117.00 119.08 1jeq n LEU 147 Ca -0.05 1.22 -0.10 0.00 -0.03 0.00 0.00 56.01 57.05 1jeq n LEU 147 Cb 0.84 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1jeq n LEU 147 CO 0.43 -1.25 0.51 -0.78 -1.33 0.00 0.00 177.39 174.97 1jeq h ASP 148 N 0.00 -1.12 -0.46 -1.43 3.58 -1.78 -1.66 116.42 113.55 1jeq h ASP 148 Ca 0.45 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 1jeq h ASP 148 Cb 0.94 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 1jeq h ASP 148 CO -0.67 -0.33 0.19 0.40 -2.88 0.00 0.00 179.24 175.95 1jeq h ILE 149 N -0.42 1.20 -0.07 2.25 2.04 -0.86 -3.10 117.51 118.56 1jeq h ILE 149 Ca 0.01 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1jeq h ILE 149 Cb 0.46 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1jeq h ILE 149 CO -0.26 0.23 -0.54 0.40 0.00 0.00 0.00 178.15 177.97 1jeq h ILE 150 N 0.60 0.00 0.54 -0.67 2.04 -0.86 -0.29 117.51 118.88 1jeq h ILE 150 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1jeq h ILE 150 Cb 0.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1jeq h ILE 150 CO -0.01 0.00 -0.47 0.40 0.00 0.00 0.00 178.15 178.07 1jeq h ILE 151 N -0.63 0.07 -0.99 -0.67 2.04 -1.36 -1.31 117.51 114.67 1jeq h ILE 151 Ca 0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.07 1jeq h ILE 151 Cb 0.70 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 1jeq h ILE 151 CO -0.40 0.00 0.61 -0.74 0.00 0.00 0.00 178.15 177.62 1jeq h HIS 152 N -1.00 0.96 -0.15 1.37 2.76 -1.45 -0.59 115.15 117.06 1jeq h HIS 152 Ca -0.06 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1jeq h HIS 152 Cb 0.85 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1jeq h HIS 152 CO -0.21 0.23 -0.13 0.77 -1.30 0.00 0.00 177.93 177.29 1jeq h SER 153 N 0.70 0.37 -0.78 3.26 0.02 -0.80 -0.56 113.55 115.76 1jeq h SER 153 Ca 0.55 -0.47 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1jeq h SER 153 Cb 0.95 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.31 1jeq h SER 153 CO -0.33 0.76 0.42 -0.07 -1.14 0.00 0.00 176.83 176.47 1jeq h LEU 154 N -0.02 0.56 -0.07 5.07 3.38 -0.08 0.45 115.31 124.61 1jeq h LEU 154 Ca 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jeq h LEU 154 Cb 0.65 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1jeq h LEU 154 CO 0.03 0.31 -0.03 0.11 0.09 0.00 0.00 178.44 178.95 1jeq h LYS 155 N 0.68 0.14 -0.52 1.13 1.57 -1.05 0.30 116.57 118.82 1jeq h LYS 155 Ca 0.39 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1jeq h LYS 155 Cb 0.42 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1jeq h LYS 155 CO -0.28 0.50 0.25 0.87 -0.57 0.00 0.00 179.45 180.22 1jeq h LYS 156 N -0.23 0.74 0.00 3.15 1.79 -0.49 -2.68 116.57 118.85 1jeq h LYS 156 Ca 0.02 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1jeq h LYS 156 Cb 0.46 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1jeq h LYS 156 CO 0.01 0.62 0.00 0.00 -1.08 0.00 0.00 179.45 179.00 1jeq n ASP 158 N -2.22 -2.10 -4.62 0.00 2.03 0.02 -4.97 116.55 104.70 1jeq n ASP 158 Ca 0.05 -0.43 -0.35 0.00 0.52 0.00 0.00 54.79 54.57 1jeq n ASP 158 Cb 0.40 -3.75 -0.10 0.00 -0.72 0.00 0.00 41.12 36.95 1jeq n ASP 158 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jeq s ILE 159 N -3.25 4.92 0.53 5.18 1.01 -0.78 -4.25 121.20 124.56 1jeq s ILE 159 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1jeq s ILE 159 Cb -0.00 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1jeq s ILE 159 CO 0.51 0.41 0.78 -0.94 0.00 0.00 0.00 174.94 175.70 1jeq s SER 160 N 0.75 5.56 0.07 3.58 1.04 -0.13 -4.75 113.70 119.81 1jeq s SER 160 Ca 0.05 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.83 1jeq s SER 160 Cb -0.13 -1.38 -0.04 0.00 0.10 0.00 0.00 66.02 64.57 1jeq s SER 160 CO 0.02 -0.97 -0.06 -0.22 0.98 0.00 0.00 173.24 172.99 1jeq s LEU 161 N -4.77 2.43 -0.19 2.42 2.96 -1.26 -1.68 118.68 118.59 1jeq s LEU 161 Ca 0.53 -0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1jeq s LEU 161 Cb -0.10 -0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.62 1jeq s LEU 161 CO 0.40 -0.43 0.51 -1.10 -1.32 0.00 0.00 176.35 174.41 1jeq s GLN 162 N -3.21 0.58 -0.05 1.98 -0.21 -0.82 -4.96 119.66 112.97 1jeq s GLN 162 Ca 0.04 0.72 0.06 0.00 0.02 0.00 0.00 55.36 56.21 1jeq s GLN 162 Cb 0.02 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.28 1jeq s GLN 162 CO -0.05 -0.08 -0.24 -0.06 -2.12 0.00 0.00 175.29 172.74 1jeq s PHE 163 N 0.38 2.43 -0.19 0.91 0.40 -0.51 -1.49 117.98 119.92 1jeq s PHE 163 Ca -0.01 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1jeq s PHE 163 Cb -0.04 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.95 1jeq s PHE 163 CO -0.01 -0.16 -0.11 -0.06 0.70 0.00 0.00 175.22 175.59 1jeq s PHE 164 N -0.29 2.29 0.46 0.36 0.40 0.19 -0.46 117.98 120.94 1jeq s PHE 164 Ca 0.00 -1.46 0.06 0.00 -0.60 0.00 0.00 56.93 54.92 1jeq s PHE 164 Cb -0.13 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 1jeq s PHE 164 CO 0.02 -0.71 0.18 -0.51 0.70 0.00 0.00 175.22 174.90 1jeq s LEU 165 N 1.44 2.82 0.00 -0.37 1.43 0.35 -2.07 118.68 122.28 1jeq s LEU 165 Ca 0.00 -1.26 0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1jeq s LEU 165 Cb -0.15 -1.19 1.24 0.00 0.03 0.00 0.00 46.19 46.12 1jeq s LEU 165 CO -0.09 -0.74 1.81 -2.65 0.23 0.00 0.00 176.35 174.92 1jeq n PRO 166 N -1.35 1.15 -4.02 1.29 -0.02 -1.26 -0.44 135.00 130.36 1jeq n PRO 166 Ca -0.05 -0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.07 1jeq n PRO 166 Cb 0.65 -1.37 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 1jeq n PRO 166 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1jeq s PHE 167 N -1.97 0.83 0.51 6.00 -0.12 -1.26 -4.85 117.98 117.11 1jeq s PHE 167 Ca 0.34 -1.17 0.05 0.00 -0.05 0.00 0.00 56.93 56.10 1jeq s PHE 167 Cb 0.16 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 1jeq s PHE 167 CO 0.27 -1.26 0.33 -1.12 -0.05 0.00 0.00 175.22 173.39 1jeq s SER 168 N -3.20 4.59 0.00 1.98 0.01 -1.26 -4.08 113.70 111.74 1jeq s SER 168 Ca 0.27 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1jeq s SER 168 Cb -0.02 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1jeq s SER 168 CO 0.18 -0.96 0.56 0.18 0.41 0.00 0.00 173.24 173.61 1jeq n LEU 169 N -1.62 1.28 -4.48 2.44 4.77 -1.26 -4.89 117.00 113.24 1jeq n LEU 169 Ca -0.03 -0.64 -0.51 0.00 -0.03 0.00 0.00 56.01 54.81 1jeq n LEU 169 Cb 0.64 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1jeq n LEU 169 CO 0.40 0.28 0.33 -2.65 -1.33 0.00 0.00 177.39 174.42 1jeq n PRO 182 N 0.11 0.33 -2.01 3.23 -0.02 -1.26 -5.07 135.00 130.30 1jeq n PRO 182 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1jeq n PRO 182 Cb 0.28 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 1jeq n PRO 182 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1jeq s PHE 183 N -0.58 2.57 -0.24 6.00 5.36 -1.26 -5.00 117.98 124.82 1jeq s PHE 183 Ca 0.73 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.19 1jeq s PHE 183 Cb -0.99 -3.88 0.05 0.00 -0.34 0.00 0.00 43.02 37.86 1jeq s PHE 183 CO 0.56 -3.45 -0.13 1.03 -1.46 0.00 0.00 175.22 171.76 1jeq s ARG 184 N 2.52 2.45 0.09 10.12 1.81 -1.26 -4.97 118.95 129.71 1jeq s ARG 184 Ca 0.71 -1.20 -0.31 0.00 -1.72 0.00 0.00 55.73 53.21 1jeq s ARG 184 Cb -0.38 -2.80 -0.10 0.00 -0.45 0.00 0.00 34.95 31.22 1jeq s ARG 184 CO 0.31 -0.47 1.90 -1.17 -0.68 0.00 0.00 175.30 175.19 1jeq s LEU 185 N 1.16 4.42 0.00 2.53 2.96 -1.26 -0.56 118.68 127.92 1jeq s LEU 185 Ca -0.05 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1jeq s LEU 185 Cb -0.18 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1jeq s LEU 185 CO -0.07 -1.03 0.00 0.61 -1.32 0.00 0.00 176.35 174.54 1jeq n GLY 186 N 4.38 0.70 3.11 7.98 0.00 -1.24 -4.08 105.19 116.04 1jeq n GLY 186 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1jeq n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jeq n GLY 187 N -2.53 -1.45 2.43 -0.02 0.00 0.28 -3.36 105.19 100.53 1jeq n GLY 187 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1jeq n GLY 187 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jeq n HIS 188 N -3.50 3.20 0.00 1.61 8.25 -1.26 -4.85 115.22 118.67 1jeq n HIS 188 Ca 0.13 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 1jeq n HIS 188 Cb 0.47 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1jeq n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jeq n GLY 189 N -0.56 0.58 3.41 -1.41 0.00 -1.26 -4.58 105.19 101.36 1jeq n GLY 189 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 1jeq n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jeq s PHE 192 N 0.00 3.25 0.27 1.61 0.40 -1.26 -5.11 117.98 117.14 1jeq s PHE 192 Ca 0.00 -0.83 -0.27 0.00 -0.60 0.00 0.00 56.93 55.23 1jeq s PHE 192 Cb 0.00 -2.78 -0.15 0.00 0.51 0.00 0.00 43.02 40.59 1jeq s PHE 192 CO 0.00 -0.69 0.72 -2.30 0.70 0.00 0.00 175.22 173.65 1jeq n PRO 193 N 5.13 0.65 0.00 0.24 -0.02 -1.26 -4.71 135.00 135.03 1jeq n PRO 193 Ca -0.12 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1jeq n PRO 193 Cb 0.45 -1.43 0.22 0.00 -0.02 0.00 0.00 33.50 32.73 1jeq n PRO 193 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jeq n LEU 194 N 1.58 0.00 -0.05 2.45 4.77 -1.26 0.04 117.00 124.53 1jeq n LEU 194 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 1jeq n LEU 194 Cb 0.30 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 1jeq n LEU 194 CO 0.58 0.00 -0.79 1.17 -1.33 0.00 0.00 177.39 177.02 1jeq n LYS 195 N -0.87 0.66 0.00 3.23 4.81 -1.26 -4.12 118.16 120.61 1jeq n LYS 195 Ca 0.06 0.18 0.14 0.00 -0.87 0.00 0.00 58.31 57.82 1jeq n LYS 195 Cb 0.03 -1.68 0.84 0.00 0.02 0.00 0.00 35.03 34.23 1jeq n LYS 195 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jeq n GLY 196 N 1.67 -1.00 3.93 3.14 0.00 0.11 -4.82 105.19 108.22 1jeq n GLY 196 Ca -0.24 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1jeq n GLY 196 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jeq s ILE 197 N -2.00 5.22 1.07 -0.61 -4.36 -1.23 -4.97 121.20 114.32 1jeq s ILE 197 Ca 0.42 -0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 60.24 1jeq s ILE 197 Cb 0.19 -3.75 0.23 0.00 1.25 0.00 0.00 42.46 40.38 1jeq s ILE 197 CO 0.33 -0.20 1.06 0.42 0.24 0.00 0.00 174.94 176.79 1jeq s THR 198 N -1.89 2.12 0.21 8.37 -4.23 -1.26 -4.83 115.64 114.13 1jeq s THR 198 Ca 0.38 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1jeq s THR 198 Cb -0.11 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1jeq s THR 198 CO 0.29 -0.05 1.55 -0.33 -0.54 0.00 0.00 174.62 175.54 1jeq h GLU 199 N -2.27 0.00 -0.29 3.99 4.39 -1.97 -2.16 114.58 116.26 1jeq h GLU 199 Ca -0.56 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.09 1jeq h GLU 199 Cb 1.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 1jeq h GLU 199 CO 0.51 0.67 0.01 0.37 -1.16 0.00 0.00 179.01 179.41 1jeq h GLN 200 N 0.00 0.52 -0.64 2.33 5.75 -1.89 -1.26 115.11 119.91 1jeq h GLN 200 Ca -0.01 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1jeq h GLN 200 Cb 1.23 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.68 1jeq h GLN 200 CO 0.09 0.66 0.35 1.96 -2.65 0.00 0.00 178.83 179.23 1jeq h GLN 201 N 0.31 0.63 -0.88 1.69 4.20 -1.49 -0.45 115.11 119.11 1jeq h GLN 201 Ca 0.08 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1jeq h GLN 201 Cb 0.42 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1jeq h GLN 201 CO 0.01 0.42 0.58 0.87 -0.67 0.00 0.00 178.83 180.04 1jeq h LYS 202 N 0.65 1.08 -0.28 1.46 1.57 -0.91 -0.34 116.57 119.80 1jeq h LYS 202 Ca 0.28 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 1jeq h LYS 202 Cb 0.17 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1jeq h LYS 202 CO -0.18 0.72 -0.48 1.49 -0.57 0.00 0.00 179.45 180.43 1jeq h GLU 203 N 1.12 0.76 -0.51 3.15 4.81 -0.19 -2.61 114.58 121.11 1jeq h GLU 203 Ca 0.35 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1jeq h GLU 203 Cb -0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1jeq h GLU 203 CO -0.10 1.07 -0.00 0.78 -0.73 0.00 0.00 179.01 180.03 1jeq h GLY 204 N 0.88 0.98 1.44 1.92 0.00 -0.61 -2.75 103.07 104.93 1jeq h GLY 204 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1jeq h GLY 204 CO 0.10 0.66 0.32 -2.00 0.00 0.00 0.00 176.54 175.63 1jeq h LEU 205 N 0.77 0.49 -0.78 3.11 5.85 -0.96 0.43 115.31 124.22 1jeq h LEU 205 Ca 0.14 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1jeq h LEU 205 Cb 0.52 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1jeq h LEU 205 CO 0.03 0.34 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.96 1jeq h GLU 206 N 0.57 0.73 -0.04 1.25 4.39 -1.17 0.41 114.58 120.71 1jeq h GLU 206 Ca 0.19 -0.27 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1jeq h GLU 206 Cb 0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1jeq h GLU 206 CO -0.05 0.86 -0.78 0.82 -1.16 0.00 0.00 179.01 178.70 1jeq h ILE 207 N 0.64 1.41 0.15 3.13 1.08 -1.13 -0.53 117.51 122.26 1jeq h ILE 207 Ca 0.10 -2.28 -0.01 0.00 -0.39 0.00 0.00 64.86 62.28 1jeq h ILE 207 Cb 0.66 2.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 1jeq h ILE 207 CO 0.05 0.68 -0.07 0.58 -0.69 0.00 0.00 178.15 178.70 1jeq h VAL 208 N 0.22 1.00 -0.83 1.67 2.07 -0.56 -1.27 116.25 118.55 1jeq h VAL 208 Ca -0.04 -0.71 0.14 0.00 0.82 0.00 0.00 66.70 66.91 1jeq h VAL 208 Cb 1.37 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 1jeq h VAL 208 CO 0.13 0.16 0.42 0.11 0.02 0.00 0.00 177.57 178.41 1jeq h LYS 209 N -0.54 0.59 0.75 1.57 1.57 -0.16 -1.20 116.57 119.15 1jeq h LYS 209 Ca -0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1jeq h LYS 209 Cb 0.42 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.60 1jeq h LYS 209 CO 0.03 0.39 -0.36 1.98 -0.57 0.00 0.00 179.45 180.92 1jeq h MET 210 N 0.61 -0.97 -0.89 3.15 4.05 -0.92 -2.23 114.93 117.73 1jeq h MET 210 Ca 0.45 0.07 0.20 0.00 -0.28 0.00 0.00 59.70 60.13 1jeq h MET 210 Cb 0.61 0.22 -0.17 0.00 -0.80 0.00 0.00 31.60 31.47 1jeq h MET 210 CO -0.35 -0.65 -0.12 0.28 0.23 0.00 0.00 176.91 176.30 1jeq h VAL 211 N -1.07 0.13 -0.24 -5.77 2.07 -0.77 0.69 116.25 111.30 1jeq h VAL 211 Ca -0.10 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1jeq h VAL 211 Cb 0.77 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1jeq h VAL 211 CO 0.17 0.00 -0.12 0.24 0.02 0.00 0.00 177.57 177.89 1jeq h MET 212 N 0.02 0.39 -0.39 1.57 2.07 -1.20 -2.03 114.93 115.36 1jeq h MET 212 Ca 0.46 -0.10 -0.14 0.00 -2.07 0.00 0.00 59.70 57.86 1jeq h MET 212 Cb 0.80 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.47 1jeq h MET 212 CO -0.87 0.51 -0.30 0.82 1.07 0.00 0.00 176.91 178.14 1jeq h ILE 213 N 0.36 1.28 0.00 -1.22 2.04 0.97 -0.63 117.51 120.31 1jeq h ILE 213 Ca 0.07 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 1jeq h ILE 213 Cb 0.43 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1jeq h ILE 213 CO 0.02 0.49 -0.32 0.28 0.00 0.00 0.00 178.15 178.63 1jeq h SER 214 N 0.72 0.00 0.16 1.72 0.02 -0.86 0.58 113.55 115.89 1jeq h SER 214 Ca 0.08 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.70 1jeq h SER 214 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1jeq h SER 214 CO 0.08 0.32 -1.63 -0.07 -1.14 0.00 0.00 176.83 174.38 1jeq h LEU 215 N 0.00 0.53 -0.40 5.07 3.38 -1.11 -3.42 115.31 119.36 1jeq h LEU 215 Ca -0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1jeq h LEU 215 Cb 0.70 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jeq h LEU 215 CO 0.04 1.73 0.00 -0.62 0.09 0.00 0.00 178.44 179.68 1jeq n GLU 216 N -3.71 0.08 0.00 1.13 1.02 -0.27 -5.07 120.64 113.82 1jeq n GLU 216 Ca -0.25 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 1jeq n GLU 216 Cb 1.01 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1jeq n GLU 216 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jeq n GLY 217 N 0.07 -0.41 0.42 0.62 0.00 0.20 -4.01 105.19 102.08 1jeq n GLY 217 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1jeq n GLY 217 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jeq h GLU 218 N 0.00 -0.47 -0.65 1.61 4.81 -1.90 -0.83 114.58 117.16 1jeq h GLU 218 Ca 0.00 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 1jeq h GLU 218 Cb 0.00 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1jeq h GLU 218 CO 0.00 -0.31 0.59 -0.44 -0.73 0.00 0.00 179.01 178.12 1jeq h ASP 219 N -0.48 0.00 -0.51 1.04 3.32 -1.95 -0.23 116.42 117.61 1jeq h ASP 219 Ca 0.08 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.27 1jeq h ASP 219 Cb 0.63 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1jeq h ASP 219 CO -0.45 0.00 0.36 1.23 -1.72 0.00 0.00 179.24 178.67 1jeq h GLY 220 N 0.00 0.01 2.00 2.75 0.00 -1.28 0.22 103.07 106.77 1jeq h GLY 220 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1jeq h GLY 220 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1jeq h LEU 221 N 0.00 0.00 -0.80 3.11 3.38 -1.16 -0.52 115.31 119.33 1jeq h LEU 221 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1jeq h LEU 221 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1jeq h LEU 221 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1jeq n ASP 222 N -2.71 1.17 -1.22 -0.43 9.92 0.77 -3.25 116.55 120.81 1jeq n ASP 222 Ca -0.00 -1.86 0.08 0.00 -0.53 0.00 0.00 54.79 52.48 1jeq n ASP 222 Cb 0.17 -0.12 0.30 0.00 -0.64 0.00 0.00 41.12 40.83 1jeq n ASP 222 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jeq n GLU 223 N 0.08 3.56 -4.03 -1.24 -0.58 -0.20 -4.81 120.64 113.41 1jeq n GLU 223 Ca 0.10 -2.89 -0.31 0.00 -0.42 0.00 0.00 57.16 53.64 1jeq n GLU 223 Cb 0.21 -1.93 -0.15 0.00 -0.57 0.00 0.00 31.44 28.99 1jeq n GLU 223 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1jeq s ILE 224 N -2.61 2.13 0.48 -3.67 1.01 -1.20 -1.42 121.20 115.91 1jeq s ILE 224 Ca 0.45 -1.87 0.06 0.00 0.00 0.00 0.00 60.65 59.28 1jeq s ILE 224 Cb 0.35 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1jeq s ILE 224 CO 0.13 -0.27 0.25 -0.31 0.00 0.00 0.00 174.94 174.74 1jeq s TYR 225 N 1.06 2.14 0.07 3.97 1.51 0.39 -4.82 117.35 121.66 1jeq s TYR 225 Ca -0.01 -0.73 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1jeq s TYR 225 Cb -0.19 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1jeq s TYR 225 CO -0.07 -0.07 0.01 -1.54 -1.11 0.00 0.00 175.55 172.77 1jeq s SER 226 N -4.05 5.13 0.21 2.29 1.04 -1.26 -0.50 113.70 116.57 1jeq s SER 226 Ca 0.33 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.56 1jeq s SER 226 Cb 0.01 -1.28 0.30 0.00 0.10 0.00 0.00 66.02 65.15 1jeq s SER 226 CO 0.19 0.20 1.73 -0.26 0.98 0.00 0.00 173.24 176.08 1jeq h PHE 227 N 3.63 0.34 -0.25 5.02 0.05 -1.05 -1.61 116.94 123.07 1jeq h PHE 227 Ca -0.48 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.36 1jeq h PHE 227 Cb 1.17 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 39.04 1jeq h PHE 227 CO 0.61 0.05 0.11 1.03 -0.18 0.00 0.00 178.31 179.93 1jeq h SER 228 N 0.36 0.16 1.05 2.17 0.87 -1.94 -1.89 113.55 114.33 1jeq h SER 228 Ca 0.32 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1jeq h SER 228 Cb 0.44 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1jeq h SER 228 CO -0.35 0.13 0.00 1.05 -0.53 0.00 0.00 176.83 177.13 1jeq h GLU 229 N 0.24 0.00 0.00 2.24 4.11 -1.79 -2.32 114.58 117.06 1jeq h GLU 229 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1jeq h GLU 229 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jeq h GLU 229 CO -0.08 0.00 -0.10 0.77 0.07 0.00 0.00 179.01 179.68 1jeq h SER 230 N 0.00 0.00 0.88 3.06 0.02 -0.49 -2.91 113.55 114.11 1jeq h SER 230 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1jeq h SER 230 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1jeq h SER 230 CO 0.00 0.10 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.08 1jeq h LEU 231 N 0.00 0.00 -3.65 5.07 3.38 -1.07 -3.20 115.31 115.83 1jeq h LEU 231 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1jeq h LEU 231 Cb 0.80 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 1jeq h LEU 231 CO 0.01 0.64 0.25 -2.11 0.09 0.00 0.00 178.44 177.32 1jeq n ARG 232 N -3.55 2.87 -4.12 1.13 1.85 -1.11 -4.90 116.66 108.83 1jeq n ARG 232 Ca -0.00 -3.07 -0.11 0.00 -1.00 0.00 0.00 57.85 53.67 1jeq n ARG 232 Cb 0.69 -2.07 -0.08 0.00 -1.05 0.00 0.00 32.46 29.94 1jeq n ARG 232 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1jeq s LYS 233 N -3.10 1.30 -0.04 2.89 1.02 -1.17 -3.96 119.74 116.67 1jeq s LYS 233 Ca 0.52 -1.47 0.12 0.00 0.02 0.00 0.00 55.97 55.16 1jeq s LYS 233 Cb 0.43 0.34 0.37 0.00 -0.52 0.00 0.00 37.83 38.45 1jeq s LYS 233 CO 0.09 -0.47 1.31 1.28 -0.92 0.00 0.00 175.35 176.64 1jeq n LEU 234 N -0.29 3.22 -0.11 3.17 4.77 -1.26 -4.71 117.00 121.77 1jeq n LEU 234 Ca -0.00 -2.25 0.27 0.00 -0.03 0.00 0.00 56.01 54.00 1jeq n LEU 234 Cb 0.64 -0.32 0.68 0.00 -2.33 0.00 0.00 43.42 42.10 1jeq n LEU 234 CO 0.29 0.72 1.25 0.00 -1.33 0.00 0.00 177.39 178.32 1jeq h VAL 236 N 0.00 0.22 -0.00 0.00 -1.51 -1.89 -2.70 116.25 110.37 1jeq h VAL 236 Ca 0.38 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1jeq h VAL 236 Cb 1.89 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1jeq h VAL 236 CO -0.00 0.08 -0.72 0.49 -1.23 0.00 0.00 177.57 176.19 1jeq n PHE 237 N -3.22 0.00 -0.24 5.19 3.01 0.90 -4.62 117.46 118.47 1jeq n PHE 237 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.40 1jeq n PHE 237 Cb 0.35 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.69 1jeq n PHE 237 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1jeq h LYS 238 N 0.61 -0.01 0.00 -1.08 3.64 -1.33 -0.86 116.57 117.53 1jeq h LYS 238 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jeq h LYS 238 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1jeq h LYS 238 CO 0.00 -0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.80 1jeq n LYS 239 N -4.32 0.40 -0.38 1.90 4.76 -1.26 -3.13 118.16 116.13 1jeq n LYS 239 Ca 0.01 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.46 1jeq n LYS 239 Cb 0.16 -1.14 0.02 0.00 -1.84 0.00 0.00 35.03 32.22 1jeq n LYS 239 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1jeq n ILE 240 N -0.64 0.26 -2.48 -0.18 -5.35 -0.34 -4.97 119.36 105.65 1jeq n ILE 240 Ca 0.03 -0.30 -0.39 0.00 -0.27 0.00 0.00 62.75 61.82 1jeq n ILE 240 Cb 0.01 0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 1jeq n ILE 240 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1jeq s GLU 241 N -0.38 4.38 -0.39 6.28 0.41 -1.11 -4.97 118.70 122.92 1jeq s GLU 241 Ca 0.04 1.69 -0.26 0.00 -0.41 0.00 0.00 54.97 56.02 1jeq s GLU 241 Cb 0.04 -2.87 0.02 0.00 -1.78 0.00 0.00 34.13 29.53 1jeq s GLU 241 CO 0.00 0.01 0.96 1.03 -0.49 0.00 0.00 175.26 176.78 1jeq s ARG 242 N -1.96 3.80 0.49 1.61 0.52 -1.26 -5.01 118.95 117.14 1jeq s ARG 242 Ca 0.51 0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 56.06 1jeq s ARG 242 Cb -0.28 -3.83 -0.09 0.00 0.52 0.00 0.00 34.95 31.28 1jeq s ARG 242 CO 0.35 -1.04 0.88 1.58 0.02 0.00 0.00 175.30 177.09 1jeq n HIS 243 N 6.97 0.63 -3.25 -0.53 -0.00 -1.26 -4.96 115.22 112.82 1jeq n HIS 243 Ca 0.08 0.51 -0.39 0.00 -0.00 0.00 0.00 57.72 57.92 1jeq n HIS 243 Cb 0.48 -2.14 -0.06 0.00 -0.00 0.00 0.00 29.99 28.27 1jeq n HIS 243 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1jeq s SER 244 N -0.96 7.03 0.49 0.26 0.15 -1.26 -5.06 113.70 114.35 1jeq s SER 244 Ca 0.67 1.23 -0.21 0.00 0.70 0.00 0.00 55.95 58.34 1jeq s SER 244 Cb -0.50 -2.36 -0.07 0.00 -1.71 0.00 0.00 66.02 61.37 1jeq s SER 244 CO 0.54 0.21 1.09 -0.63 1.20 0.00 0.00 173.24 175.65 1jeq s ILE 245 N -0.77 3.48 0.54 6.45 -1.09 -1.26 -4.99 121.20 123.55 1jeq s ILE 245 Ca 0.30 0.97 -0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1jeq s ILE 245 Cb -0.19 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1jeq s ILE 245 CO 0.18 -0.15 0.89 -1.38 -1.23 0.00 0.00 174.94 173.24 1jeq s HIS 246 N -1.82 3.58 -0.22 3.97 -3.43 -1.26 -4.77 115.29 111.34 1jeq s HIS 246 Ca 0.68 1.00 -0.02 0.00 -0.80 0.00 0.00 55.06 55.91 1jeq s HIS 246 Cb -0.21 -2.48 0.01 0.00 -1.43 0.00 0.00 32.58 28.47 1jeq s HIS 246 CO 0.25 -0.45 -0.07 -0.46 -2.00 0.00 0.00 174.74 172.00 1jeq s TRP 247 N -2.92 2.96 -0.08 0.38 -0.00 -0.20 -4.89 118.94 114.19 1jeq s TRP 247 Ca 0.51 -1.25 -0.16 0.00 -0.00 0.00 0.00 56.10 55.20 1jeq s TRP 247 Cb -0.11 -2.06 -0.05 0.00 -0.00 0.00 0.00 33.47 31.25 1jeq s TRP 247 CO 0.48 -0.65 0.42 -2.14 -0.00 0.00 0.00 176.95 175.06 1jeq s PRO 248 N 1.40 4.16 0.18 5.86 0.02 -1.26 0.40 135.00 145.77 1jeq s PRO 248 Ca 0.04 0.37 -0.24 0.00 0.02 0.00 0.00 61.00 61.19 1jeq s PRO 248 Cb -0.15 -3.35 0.06 0.00 0.02 0.00 0.00 34.50 31.08 1jeq s PRO 248 CO -0.05 0.38 0.95 0.00 -0.33 0.00 0.00 177.00 177.95 1jeq s ARG 250 N -3.05 3.46 -0.30 0.00 0.52 -1.26 0.05 118.95 118.36 1jeq s ARG 250 Ca 0.14 -0.58 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1jeq s ARG 250 Cb -0.02 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1jeq s ARG 250 CO 0.04 -0.19 1.02 -1.17 0.02 0.00 0.00 175.30 175.01 1jeq s LEU 251 N 1.50 4.00 -0.05 2.53 0.20 0.10 -4.20 118.68 122.77 1jeq s LEU 251 Ca 0.06 1.07 0.02 0.00 0.69 0.00 0.00 54.13 55.97 1jeq s LEU 251 Cb -0.14 -3.46 -0.03 0.00 -0.43 0.00 0.00 46.19 42.12 1jeq s LEU 251 CO -0.01 -0.78 -0.10 0.42 -0.29 0.00 0.00 176.35 175.59 1jeq s THR 252 N 3.42 3.46 -0.28 3.68 -4.23 -1.03 -1.62 115.64 119.05 1jeq s THR 252 Ca 0.43 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1jeq s THR 252 Cb -0.13 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.38 1jeq s THR 252 CO 0.13 0.57 0.01 -0.63 -0.54 0.00 0.00 174.62 174.15 1jeq s ILE 253 N -0.81 1.62 0.00 2.99 1.01 -1.00 -0.15 121.20 124.87 1jeq s ILE 253 Ca 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.17 1jeq s ILE 253 Cb -0.11 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1jeq s ILE 253 CO 0.02 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1jeq n GLY 254 N 4.58 -1.12 0.51 6.18 0.00 -1.26 -3.10 105.19 110.97 1jeq n GLY 254 Ca -0.05 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.78 1jeq n GLY 254 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jeq n SER 255 N -0.37 2.57 -0.05 1.61 3.41 -1.26 -4.58 113.62 114.95 1jeq n SER 255 Ca 0.00 -1.86 0.01 0.00 -0.26 0.00 0.00 58.87 56.76 1jeq n SER 255 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1jeq n SER 255 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jeq n ASN 256 N 0.41 0.74 -4.24 4.04 3.02 -1.26 -4.99 115.26 112.98 1jeq n ASN 256 Ca 0.09 -0.87 -0.32 0.00 -0.03 0.00 0.00 54.58 53.45 1jeq n ASN 256 Cb 0.36 0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 39.78 1jeq n ASN 256 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jeq s LEU 257 N -0.97 2.19 -0.02 3.41 2.96 -1.18 -5.06 118.68 120.02 1jeq s LEU 257 Ca 0.02 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1jeq s LEU 257 Cb 0.02 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.28 1jeq s LEU 257 CO 0.05 0.16 0.03 -0.55 -1.32 0.00 0.00 176.35 174.72 1jeq s SER 258 N 0.37 0.01 -0.12 3.68 0.15 -1.26 -2.37 113.70 114.16 1jeq s SER 258 Ca -0.17 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1jeq s SER 258 Cb -0.18 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1jeq s SER 258 CO 0.08 -0.07 -0.04 -0.63 1.20 0.00 0.00 173.24 173.78 1jeq s ILE 259 N 0.51 0.86 -0.08 6.45 1.01 -0.64 -4.97 121.20 124.34 1jeq s ILE 259 Ca -0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1jeq s ILE 259 Cb -0.06 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1jeq s ILE 259 CO -0.02 0.25 1.51 -0.13 0.00 0.00 0.00 174.94 176.55 1jeq s ARG 260 N 1.76 4.21 0.37 2.79 0.52 -1.26 0.03 118.95 127.37 1jeq s ARG 260 Ca 0.04 2.00 0.06 0.00 -0.52 0.00 0.00 55.73 57.30 1jeq s ARG 260 Cb -0.13 -3.87 -0.07 0.00 0.52 0.00 0.00 34.95 31.39 1jeq s ARG 260 CO -0.07 -0.77 0.03 0.96 0.02 0.00 0.00 175.30 175.46 1jeq s ILE 261 N 3.69 1.65 -0.03 1.52 -4.36 0.11 -0.77 121.20 123.01 1jeq s ILE 261 Ca 0.67 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1jeq s ILE 261 Cb -0.30 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 40.54 1jeq s ILE 261 CO 0.25 -0.01 0.02 0.00 0.24 0.00 0.00 174.94 175.44 1jeq s ALA 262 N -2.97 0.19 -0.01 2.27 0.00 0.30 -1.99 121.76 119.56 1jeq s ALA 262 Ca 0.36 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1jeq s ALA 262 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1jeq s ALA 262 CO 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 175.76 175.72 1jeq s ALA 263 N 1.15 2.96 -0.03 0.00 0.00 0.16 -0.36 121.76 125.65 1jeq s ALA 263 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1jeq s ALA 263 Cb -0.13 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 1jeq s ALA 263 CO -0.03 0.60 -0.12 0.71 0.00 0.00 0.00 175.76 176.92 1jeq s TYR 264 N -0.95 1.25 -0.62 0.00 1.51 0.25 -1.04 117.35 117.76 1jeq s TYR 264 Ca 0.16 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.63 1jeq s TYR 264 Cb -0.11 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1jeq s TYR 264 CO 0.06 -0.12 1.97 0.15 -1.11 0.00 0.00 175.55 176.50 1jeq s LYS 265 N 0.10 2.51 0.03 -0.62 1.02 -1.26 0.01 119.74 121.53 1jeq s LYS 265 Ca -0.03 0.66 -0.20 0.00 0.02 0.00 0.00 55.97 56.42 1jeq s LYS 265 Cb -0.09 -4.48 -0.18 0.00 -0.52 0.00 0.00 37.83 32.55 1jeq s LYS 265 CO 0.01 -2.91 1.23 1.03 -0.92 0.00 0.00 175.35 173.79 1jeq h SER 266 N 15.36 0.48 -3.65 2.83 0.87 0.26 -3.45 113.55 126.27 1jeq h SER 266 Ca -0.22 -0.61 -0.50 0.00 -1.23 0.00 0.00 61.79 59.23 1jeq h SER 266 Cb 1.16 -0.14 -0.32 0.00 -0.44 0.00 0.00 62.40 62.66 1jeq h SER 266 CO 1.20 1.01 -0.81 -0.63 -0.53 0.00 0.00 176.83 177.08 1jeq s ILE 267 N -3.78 1.09 -0.30 2.23 -1.09 -0.88 -4.95 121.20 113.52 1jeq s ILE 267 Ca -0.14 -0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.68 1jeq s ILE 267 Cb 0.05 -0.97 0.12 0.00 -1.58 0.00 0.00 42.46 40.08 1jeq s ILE 267 CO 0.79 0.33 0.69 -0.22 -1.23 0.00 0.00 174.94 175.31 1jeq s LEU 268 N 0.39 -1.05 0.09 2.97 2.96 -1.26 -0.68 118.68 122.10 1jeq s LEU 268 Ca -0.09 1.49 -0.31 0.00 -0.22 0.00 0.00 54.13 55.00 1jeq s LEU 268 Cb -0.13 2.26 -0.08 0.00 0.50 0.00 0.00 46.19 48.74 1jeq s LEU 268 CO 0.02 -0.21 1.55 -1.58 -1.32 0.00 0.00 176.35 174.81 1jeq s GLN 269 N 2.59 4.23 0.26 1.98 0.74 -1.26 -4.98 119.66 123.23 1jeq s GLN 269 Ca -0.07 2.25 -0.30 0.00 0.05 0.00 0.00 55.36 57.30 1jeq s GLN 269 Cb -0.10 -3.43 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 1jeq s GLN 269 CO -0.19 -0.63 0.99 -2.00 -0.55 0.00 0.00 175.29 172.91 1jeq s GLU 270 N 1.98 4.77 0.16 1.67 2.56 -1.26 -5.05 118.70 123.53 1jeq s GLU 270 Ca 0.70 1.58 0.05 0.00 0.00 0.00 0.00 54.97 57.30 1jeq s GLU 270 Cb -0.39 -3.22 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 1jeq s GLU 270 CO 0.31 0.40 -0.11 1.03 -0.56 0.00 0.00 175.26 176.34 1jeq s ARG 271 N -1.32 1.10 -0.02 4.30 0.52 -1.26 -5.08 118.95 117.18 1jeq s ARG 271 Ca 0.43 -1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 1jeq s ARG 271 Cb -0.27 -0.68 -0.08 0.00 0.52 0.00 0.00 34.95 34.43 1jeq s ARG 271 CO 0.34 0.09 1.99 0.08 0.02 0.00 0.00 175.30 177.82 1jeq s VAL 272 N -3.28 3.06 -0.09 3.52 1.01 -1.26 -4.89 120.40 118.46 1jeq s VAL 272 Ca 0.18 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1jeq s VAL 272 Cb 0.02 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 1jeq s VAL 272 CO 0.01 -0.01 0.33 0.07 0.00 0.00 0.00 175.10 175.50 1jeq h LYS 273 N 11.35 -0.09 -7.05 2.72 2.10 -1.98 -3.46 116.57 120.16 1jeq h LYS 273 Ca -0.47 0.01 -0.51 0.00 -2.00 0.00 0.00 60.65 57.67 1jeq h LYS 273 Cb 1.23 0.02 0.08 0.00 -0.90 0.00 0.00 32.23 32.66 1jeq h LYS 273 CO 0.95 0.17 0.47 0.21 -2.00 0.00 0.00 179.45 179.25 1jeq s LYS 274 N -2.13 3.47 0.26 0.07 2.20 -1.26 -5.06 119.74 117.29 1jeq s LYS 274 Ca -0.06 1.75 0.10 0.00 -0.36 0.00 0.00 55.97 57.40 1jeq s LYS 274 Cb -0.00 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1jeq s LYS 274 CO 0.22 -0.78 -0.07 -0.08 -0.36 0.00 0.00 175.35 174.27 1jeq s THR 275 N -1.62 3.13 -0.23 3.43 -1.32 -1.26 -5.10 115.64 112.67 1jeq s THR 275 Ca 0.69 -2.04 -0.28 0.00 -1.21 0.00 0.00 61.69 58.86 1jeq s THR 275 Cb -0.28 -2.65 0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1jeq s THR 275 CO 0.33 -0.36 0.98 0.26 -2.21 0.00 0.00 174.62 173.61 1jeq s TRP 276 N -2.32 3.33 -0.08 9.09 0.52 -1.26 -5.02 118.94 123.20 1jeq s TRP 276 Ca 0.30 1.36 -0.21 0.00 0.02 0.00 0.00 56.10 57.58 1jeq s TRP 276 Cb -0.06 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1jeq s TRP 276 CO 0.18 -0.46 0.59 0.99 0.02 0.00 0.00 176.95 178.27 1jeq s THR 277 N 3.09 5.09 -0.04 2.01 2.01 -1.26 -5.04 115.64 121.51 1jeq s THR 277 Ca 0.41 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 1jeq s THR 277 Cb -0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1jeq s THR 277 CO 0.06 0.31 1.10 -0.69 -0.69 0.00 0.00 174.62 174.71 1jeq s VAL 278 N 0.60 4.50 0.32 3.82 1.01 -1.26 -5.02 120.40 124.37 1jeq s VAL 278 Ca 0.32 1.80 0.03 0.00 0.00 0.00 0.00 61.98 64.12 1jeq s VAL 278 Cb -0.17 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1jeq s VAL 278 CO 0.15 0.05 0.09 0.68 0.00 0.00 0.00 175.10 176.07 1jeq s VAL 279 N 1.73 0.83 0.16 2.92 -7.23 -1.26 -4.64 120.40 112.91 1jeq s VAL 279 Ca 0.53 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1jeq s VAL 279 Cb -0.23 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 1jeq s VAL 279 CO 0.23 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.43 1jeq s ASP 280 N -3.45 7.39 0.58 4.85 -1.08 -1.01 -4.90 116.67 119.06 1jeq s ASP 280 Ca 0.35 1.96 0.20 0.00 -0.52 0.00 0.00 52.55 54.54 1jeq s ASP 280 Cb 0.07 -2.60 1.08 0.00 -1.46 0.00 0.00 42.92 40.02 1jeq s ASP 280 CO 0.15 -0.13 1.58 0.00 0.52 0.00 0.00 175.17 177.29 1jeq h ALA 281 N 5.23 1.44 0.00 3.66 0.00 -1.98 0.64 119.26 128.25 1jeq h ALA 281 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1jeq h ALA 281 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jeq h ALA 281 CO 0.72 -0.44 -0.34 1.63 0.00 0.00 0.00 179.25 180.83 1jeq n LYS 282 N -2.60 0.08 0.25 0.00 5.02 -1.26 -4.69 118.16 114.95 1jeq n LYS 282 Ca -0.01 0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1jeq n LYS 282 Cb 0.50 -0.63 0.62 0.00 -0.02 0.00 0.00 35.03 35.50 1jeq n LYS 282 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1jeq h THR 283 N -0.14 0.92 -1.53 -0.18 1.35 -1.98 -3.45 112.91 107.91 1jeq h THR 283 Ca -0.02 -0.42 -0.36 0.00 -0.55 0.00 0.00 66.41 65.06 1jeq h THR 283 Cb 0.31 1.24 -0.09 0.00 -1.73 0.00 0.00 68.15 67.88 1jeq h THR 283 CO -0.01 0.11 -0.38 0.18 -0.25 0.00 0.00 175.52 175.17 1jeq n LEU 284 N -4.17 -1.50 -4.86 3.87 4.77 0.22 -4.94 117.00 110.39 1jeq n LEU 284 Ca -0.02 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 1jeq n LEU 284 Cb 0.20 -2.53 -0.04 0.00 -2.33 0.00 0.00 43.42 38.72 1jeq n LEU 284 CO 0.34 -0.62 -0.14 -0.54 -1.33 0.00 0.00 177.39 175.10 1jeq s LYS 285 N -4.06 3.07 -0.23 3.23 -0.14 -1.26 -4.71 119.74 115.63 1jeq s LYS 285 Ca 0.00 -0.97 -0.17 0.00 -1.36 0.00 0.00 55.97 53.47 1jeq s LYS 285 Cb 0.00 -2.65 -0.17 0.00 -1.68 0.00 0.00 37.83 33.32 1jeq s LYS 285 CO 0.00 0.41 0.02 1.17 -0.76 0.00 0.00 175.35 176.19 1jeq n LYS 286 N -1.21 0.59 -0.28 1.68 4.81 -1.26 -2.39 118.16 120.10 1jeq n LYS 286 Ca -0.08 0.43 0.04 0.00 -0.87 0.00 0.00 58.31 57.83 1jeq n LYS 286 Cb 0.58 -1.65 0.11 0.00 0.02 0.00 0.00 35.03 34.08 1jeq n LYS 286 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jeq n GLU 287 N -4.24 -0.07 0.27 1.64 4.71 -1.26 0.11 120.64 121.79 1jeq n GLU 287 Ca -0.40 1.19 0.15 0.00 -0.01 0.00 0.00 57.16 58.08 1jeq n GLU 287 Cb 0.80 -1.78 0.85 0.00 -1.01 0.00 0.00 31.44 30.30 1jeq n GLU 287 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1jeq h ASP 288 N 0.00 0.00 -3.34 1.62 5.19 -2.00 -3.42 116.42 114.48 1jeq h ASP 288 Ca 0.36 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 56.20 1jeq h ASP 288 Cb 0.56 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.98 1jeq h ASP 288 CO -0.79 0.00 -0.16 -0.63 -3.12 0.00 0.00 179.24 174.54 1jeq s ILE 289 N -4.70 5.20 -0.12 0.35 -1.09 0.29 -5.08 121.20 116.05 1jeq s ILE 289 Ca -0.05 0.89 -0.06 0.00 -2.23 0.00 0.00 60.65 59.21 1jeq s ILE 289 Cb 0.15 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.30 1jeq s ILE 289 CO 0.57 0.32 0.27 -1.58 -1.23 0.00 0.00 174.94 173.29 1jeq s GLN 290 N 0.69 0.21 -0.09 2.79 0.74 -1.26 -4.99 119.66 117.75 1jeq s GLN 290 Ca 0.24 0.63 -0.21 0.00 0.05 0.00 0.00 55.36 56.07 1jeq s GLN 290 Cb -0.15 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 33.85 1jeq s GLN 290 CO 0.09 -0.20 0.62 0.15 -0.55 0.00 0.00 175.29 175.40 1jeq s LYS 291 N 1.65 4.40 -0.28 1.67 1.02 -1.26 -5.04 119.74 121.89 1jeq s LYS 291 Ca -0.06 0.71 0.03 0.00 0.02 0.00 0.00 55.97 56.68 1jeq s LYS 291 Cb -0.11 -3.45 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 1jeq s LYS 291 CO -0.09 0.09 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.36 1jeq s GLU 292 N 0.77 2.05 -0.34 1.68 2.12 -1.26 -5.08 118.70 118.63 1jeq s GLU 292 Ca 0.33 -1.49 -0.19 0.00 0.36 0.00 0.00 54.97 53.98 1jeq s GLU 292 Cb -0.17 -2.97 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 1jeq s GLU 292 CO 0.15 -0.66 0.59 -0.08 -0.54 0.00 0.00 175.26 174.71 1jeq s THR 293 N 1.05 4.95 0.33 -1.70 -1.32 -1.26 -5.07 115.64 112.62 1jeq s THR 293 Ca -0.04 0.56 0.10 0.00 -1.21 0.00 0.00 61.69 61.10 1jeq s THR 293 Cb -0.20 -4.01 -0.06 0.00 -1.51 0.00 0.00 72.50 66.73 1jeq s THR 293 CO -0.06 -0.23 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.37 1jeq s VAL 294 N 2.56 2.52 0.02 5.08 1.01 -1.26 -5.16 120.40 125.17 1jeq s VAL 294 Ca 0.22 -2.12 0.07 0.00 0.00 0.00 0.00 61.98 60.15 1jeq s VAL 294 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1jeq s VAL 294 CO 0.13 -0.24 -0.22 -0.31 0.00 0.00 0.00 175.10 174.46 1jeq s TYR 295 N -2.54 1.92 0.12 5.22 1.51 -1.26 -5.11 117.35 117.22 1jeq s TYR 295 Ca 0.33 -0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 55.87 1jeq s TYR 295 Cb -0.00 -1.19 0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1jeq s TYR 295 CO 0.18 0.04 0.38 0.00 -1.11 0.00 0.00 175.55 175.03 1jeq n LEU 297 N -0.21 3.26 -0.35 0.00 4.77 0.46 -4.90 117.00 120.03 1jeq n LEU 297 Ca -0.16 1.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.83 1jeq n LEU 297 Cb 0.64 -1.35 0.15 0.00 -2.33 0.00 0.00 43.42 40.53 1jeq n LEU 297 CO 0.18 -0.14 1.25 -1.13 -1.33 0.00 0.00 177.39 176.21 1jeq h ASN 298 N 8.49 0.99 -3.39 -1.43 -1.24 -1.93 -3.40 115.58 113.67 1jeq h ASN 298 Ca -0.48 0.01 -0.46 0.00 0.71 0.00 0.00 56.30 56.08 1jeq h ASN 298 Cb 1.28 -0.21 0.09 0.00 0.73 0.00 0.00 38.32 40.21 1jeq h ASN 298 CO 0.94 0.65 0.21 -0.62 -1.29 0.00 0.00 177.43 177.32 1jeq s ASP 299 N -5.89 4.51 0.73 1.15 -1.08 -1.26 -5.00 116.67 109.83 1jeq s ASP 299 Ca -0.13 0.23 -0.10 0.00 -0.52 0.00 0.00 52.55 52.04 1jeq s ASP 299 Cb 0.19 -0.76 -0.01 0.00 -1.46 0.00 0.00 42.92 40.87 1jeq s ASP 299 CO 0.81 -1.78 -0.32 0.47 0.52 0.00 0.00 175.17 174.87 1jeq n ASP 300 N -2.98 -2.43 -3.75 -0.34 9.92 -1.26 -3.59 116.55 112.12 1jeq n ASP 300 Ca 0.10 -0.07 -0.23 0.00 -0.53 0.00 0.00 54.79 54.06 1jeq n ASP 300 Cb 0.60 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.54 1jeq n ASP 300 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jeq n ASP 301 N 2.23 -1.62 -3.87 -2.24 8.00 -1.26 -4.72 116.55 113.07 1jeq n ASP 301 Ca 0.01 -0.89 -0.38 0.00 0.71 0.00 0.00 54.79 54.23 1jeq n ASP 301 Cb 0.26 -3.75 -0.07 0.00 -0.02 0.00 0.00 41.12 37.54 1jeq n ASP 301 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jeq n GLU 302 N -4.26 1.13 -1.99 -1.24 2.13 -1.24 -4.81 120.64 110.37 1jeq n GLU 302 Ca -0.27 -1.81 -0.32 0.00 0.66 0.00 0.00 57.16 55.42 1jeq n GLU 302 Cb 0.67 -3.08 0.01 0.00 0.27 0.00 0.00 31.44 29.31 1jeq n GLU 302 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1jeq s THR 303 N 7.58 4.02 0.40 6.31 2.01 -1.26 -4.68 115.64 130.02 1jeq s THR 303 Ca 0.64 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 1jeq s THR 303 Cb 0.10 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1jeq s THR 303 CO 0.17 -0.64 0.77 -0.70 -0.69 0.00 0.00 174.62 173.53 1jeq s GLU 304 N -4.34 3.77 0.13 4.92 2.12 -1.26 -0.40 118.70 123.64 1jeq s GLU 304 Ca 0.61 0.46 0.09 0.00 0.36 0.00 0.00 54.97 56.49 1jeq s GLU 304 Cb -0.14 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1jeq s GLU 304 CO 0.41 -0.03 -0.20 0.08 -0.54 0.00 0.00 175.26 174.97 1jeq s VAL 305 N -2.37 1.80 -0.09 3.70 1.01 -0.54 -4.85 120.40 119.05 1jeq s VAL 305 Ca 0.51 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1jeq s VAL 305 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1jeq s VAL 305 CO 0.31 -0.14 0.15 -0.76 0.00 0.00 0.00 175.10 174.66 1jeq s LEU 306 N -2.19 4.36 0.18 3.92 1.43 -1.26 -4.65 118.68 120.47 1jeq s LEU 306 Ca 0.10 0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 1jeq s LEU 306 Cb -0.08 -2.20 0.13 0.00 0.03 0.00 0.00 46.19 44.07 1jeq s LEU 306 CO 0.05 0.37 1.64 0.50 0.23 0.00 0.00 176.35 179.15 1jeq h LYS 307 N 4.70 -0.05 -0.91 1.70 3.64 -1.97 0.43 116.57 124.11 1jeq h LYS 307 Ca -0.53 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.11 1jeq h LYS 307 Cb 1.22 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1jeq h LYS 307 CO 0.61 -0.03 0.67 0.93 -2.27 0.00 0.00 179.45 179.35 1jeq h GLU 308 N -0.05 0.00 -1.23 1.90 5.08 -2.06 -1.10 114.58 117.12 1jeq h GLU 308 Ca 0.22 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.92 1jeq h GLU 308 Cb 0.40 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.32 1jeq h GLU 308 CO -0.51 0.00 0.46 -0.25 -1.00 0.00 0.00 179.01 177.72 1jeq n ASP 309 N -4.22 6.89 -3.72 1.42 8.00 0.15 -4.94 116.55 120.14 1jeq n ASP 309 Ca 0.19 -3.79 -0.17 0.00 0.71 0.00 0.00 54.79 51.73 1jeq n ASP 309 Cb 0.99 -0.84 -0.17 0.00 -0.02 0.00 0.00 41.12 41.08 1jeq n ASP 309 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jeq s ILE 310 N -4.91 -0.10 0.44 0.53 1.01 -0.42 -4.63 121.20 113.13 1jeq s ILE 310 Ca 0.58 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.60 1jeq s ILE 310 Cb 0.47 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.74 1jeq s ILE 310 CO -0.11 0.13 0.11 0.27 0.00 0.00 0.00 174.94 175.34 1jeq s ILE 311 N 1.66 1.93 0.50 2.92 -4.36 -1.26 -5.00 121.20 117.58 1jeq s ILE 311 Ca -0.02 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1jeq s ILE 311 Cb -0.12 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.87 1jeq s ILE 311 CO -0.04 0.00 0.40 0.00 0.24 0.00 0.00 174.94 175.54 1jeq n GLN 312 N -1.20 0.75 0.00 0.37 6.02 -1.26 -5.07 117.38 116.99 1jeq n GLN 312 Ca -0.06 -3.08 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 1jeq n GLN 312 Cb 0.66 0.29 0.00 0.00 1.02 0.00 0.00 30.24 32.21 1jeq n GLN 312 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jeq n GLY 313 N -1.01 3.53 3.88 1.08 0.00 -1.25 -2.63 105.19 108.79 1jeq n GLY 313 Ca -0.01 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1jeq n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jeq s PHE 314 N -2.00 2.87 0.32 1.61 0.40 0.28 -4.74 117.98 116.72 1jeq s PHE 314 Ca 0.00 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1jeq s PHE 314 Cb 0.00 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1jeq s PHE 314 CO 0.00 0.07 0.56 1.03 0.70 0.00 0.00 175.22 177.58 1jeq s ARG 315 N -4.06 3.57 -0.46 0.44 0.52 -1.26 -0.49 118.95 117.21 1jeq s ARG 315 Ca 0.43 -0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.58 1jeq s ARG 315 Cb -0.06 -2.65 0.19 0.00 0.52 0.00 0.00 34.95 32.96 1jeq s ARG 315 CO 0.27 0.17 0.55 0.98 0.02 0.00 0.00 175.30 177.30 1jeq n TYR 316 N -1.31 -2.26 0.00 -0.53 9.36 -0.53 -4.90 117.16 116.99 1jeq n TYR 316 Ca -0.03 -2.42 0.00 0.00 3.32 0.00 0.00 57.90 58.78 1jeq n TYR 316 Cb 0.55 0.81 0.00 0.00 -0.63 0.00 0.00 39.34 40.07 1jeq n TYR 316 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jeq n GLY 317 N 2.68 1.57 0.15 2.98 0.00 -1.26 -1.68 105.19 109.62 1jeq n GLY 317 Ca 0.23 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1jeq n GLY 317 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jeq h SER 318 N 0.00 0.00 -4.15 1.61 4.64 -2.02 -3.45 113.55 110.18 1jeq h SER 318 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1jeq h SER 318 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1jeq h SER 318 CO 0.00 0.00 0.38 -1.81 -0.87 0.00 0.00 176.83 174.53 1jeq s ASP 319 N -5.03 5.98 -0.14 4.97 -0.00 -0.68 -5.05 116.67 116.72 1jeq s ASP 319 Ca 0.09 1.88 -0.01 0.00 -0.00 0.00 0.00 52.55 54.50 1jeq s ASP 319 Cb 0.10 -2.55 0.04 0.00 -0.00 0.00 0.00 42.92 40.51 1jeq s ASP 319 CO 0.60 -1.03 -0.03 -0.63 -0.00 0.00 0.00 175.17 174.08 1jeq s ILE 320 N -2.24 0.81 -0.21 0.77 1.01 -1.26 -1.45 121.20 118.63 1jeq s ILE 320 Ca 0.65 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 1jeq s ILE 320 Cb -0.17 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1jeq s ILE 320 CO 0.30 0.12 -0.05 -0.69 0.00 0.00 0.00 174.94 174.62 1jeq s VAL 321 N 1.77 3.33 -0.65 2.92 1.01 0.36 -5.00 120.40 124.14 1jeq s VAL 321 Ca 0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1jeq s VAL 321 Cb -0.15 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1jeq s VAL 321 CO -0.07 0.44 1.49 -2.16 0.00 0.00 0.00 175.10 174.79 1jeq s PRO 322 N 1.35 3.06 -0.07 2.72 0.04 -1.26 -0.55 135.00 140.28 1jeq s PRO 322 Ca 0.04 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.31 1jeq s PRO 322 Cb -0.14 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 1jeq s PRO 322 CO -0.03 -2.25 -0.10 0.12 0.04 0.00 0.00 177.00 174.78 1jeq s PHE 323 N 6.79 2.85 0.00 0.56 5.99 -1.08 -4.86 117.98 128.23 1jeq s PHE 323 Ca 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 56.93 57.30 1jeq s PHE 323 Cb -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 43.02 41.20 1jeq s PHE 323 CO 0.20 0.20 0.00 -0.25 -0.00 0.00 0.00 175.22 175.37 1jeq n ASP 327 N 2.48 0.00 0.00 6.13 8.00 -1.26 -3.76 116.55 128.14 1jeq n ASP 327 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1jeq n ASP 327 Cb 0.53 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1jeq n ASP 327 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jeq n GLU 328 N 0.13 0.00 0.03 -1.24 1.02 -1.26 -4.53 120.64 114.78 1jeq n GLU 328 Ca 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.36 1jeq n GLU 328 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.13 1jeq n GLU 328 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jeq h GLU 329 N 0.00 0.00 -0.01 3.49 4.39 -2.02 0.56 114.58 120.99 1jeq h GLU 329 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jeq h GLU 329 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jeq h GLU 329 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 1jeq n GLN 330 N -3.72 0.34 -0.18 2.33 6.02 -1.26 -1.31 117.38 119.61 1jeq n GLN 330 Ca 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 1jeq n GLN 330 Cb 0.76 -1.01 0.16 0.00 1.02 0.00 0.00 30.24 31.17 1jeq n GLN 330 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1jeq n MET 331 N -0.47 2.03 -2.31 -1.09 2.81 0.20 -5.00 117.12 113.28 1jeq n MET 331 Ca 0.00 -2.51 -0.32 0.00 -1.81 0.00 0.00 57.70 53.06 1jeq n MET 331 Cb 0.00 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 30.96 1jeq n MET 331 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1jeq s LYS 332 N -2.56 3.79 0.29 0.03 2.20 -0.42 -4.98 119.74 118.08 1jeq s LYS 332 Ca 0.31 1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1jeq s LYS 332 Cb 0.26 -2.11 -0.14 0.00 -1.51 0.00 0.00 37.83 34.33 1jeq s LYS 332 CO 0.05 -0.41 1.12 0.98 -0.36 0.00 0.00 175.35 176.73 1jeq n TYR 333 N -1.68 1.61 -3.90 4.03 9.36 -1.26 -4.97 117.16 120.34 1jeq n TYR 333 Ca 0.07 0.64 -0.35 0.00 3.32 0.00 0.00 57.90 61.58 1jeq n TYR 333 Cb 0.54 -2.31 -0.14 0.00 -0.63 0.00 0.00 39.34 36.80 1jeq n TYR 333 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1jeq s LYS 334 N -1.46 2.60 -0.07 2.98 1.02 -1.26 -5.10 119.74 118.45 1jeq s LYS 334 Ca 0.60 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 55.38 1jeq s LYS 334 Cb -0.67 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1jeq s LYS 334 CO 0.59 -0.55 0.14 -1.54 -0.92 0.00 0.00 175.35 173.07 1jeq s SER 335 N 1.30 6.25 0.00 2.83 1.04 -1.26 -4.96 113.70 118.90 1jeq s SER 335 Ca -0.03 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.85 1jeq s SER 335 Cb -0.19 -1.97 0.45 0.00 0.10 0.00 0.00 66.02 64.41 1jeq s SER 335 CO -0.01 0.35 0.85 -0.62 0.98 0.00 0.00 173.24 174.79 1jeq n GLU 336 N 1.57 0.34 0.00 4.02 4.71 -1.26 -4.94 120.64 125.08 1jeq n GLU 336 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1jeq n GLU 336 Cb 0.54 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 1jeq n GLU 336 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jeq n GLY 337 N -0.27 -1.75 3.47 0.62 0.00 -1.26 -4.99 105.19 101.01 1jeq n GLY 337 Ca 0.06 -1.69 -0.47 0.00 0.00 0.00 0.00 46.02 43.91 1jeq n GLY 337 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jeq n LYS 338 N 0.00 0.46 -3.68 1.61 4.81 -1.25 -4.80 118.16 115.31 1jeq n LYS 338 Ca 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1jeq n LYS 338 Cb 0.00 -1.30 -0.00 0.00 0.02 0.00 0.00 35.03 33.74 1jeq n LYS 338 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jeq n PHE 340 N -0.52 -2.43 -3.67 0.00 7.35 -1.23 -2.25 117.46 114.72 1jeq n PHE 340 Ca -0.07 -1.68 -0.38 0.00 -0.76 0.00 0.00 57.45 54.56 1jeq n PHE 340 Cb 0.62 1.50 -0.06 0.00 0.35 0.00 0.00 39.48 41.89 1jeq n PHE 340 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1jeq s SER 341 N -1.13 6.62 0.10 -2.13 1.04 -1.00 -2.45 113.70 114.74 1jeq s SER 341 Ca 0.25 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1jeq s SER 341 Cb 0.27 -2.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 1jeq s SER 341 CO -0.13 0.35 1.01 -0.69 0.98 0.00 0.00 173.24 174.77 1jeq s VAL 342 N -1.00 4.39 -0.17 5.02 1.01 0.79 -1.17 120.40 129.26 1jeq s VAL 342 Ca 0.20 1.92 -0.06 0.00 0.00 0.00 0.00 61.98 64.04 1jeq s VAL 342 Cb -0.15 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 1jeq s VAL 342 CO 0.09 0.26 0.17 0.18 0.00 0.00 0.00 175.10 175.80 1jeq n LEU 343 N 2.99 2.66 0.00 3.92 4.77 -0.07 -4.65 117.00 126.63 1jeq n LEU 343 Ca 0.04 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1jeq n LEU 343 Cb 0.49 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1jeq n LEU 343 CO 0.52 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1jeq n GLY 344 N 2.01 -1.45 3.46 -0.72 0.00 -1.18 -5.02 105.19 102.29 1jeq n GLY 344 Ca -0.37 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 1jeq n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jeq s PHE 345 N -2.50 2.03 -0.05 1.61 0.40 -1.26 -1.16 117.98 117.04 1jeq s PHE 345 Ca 0.00 -0.74 -0.31 0.00 -0.60 0.00 0.00 56.93 55.28 1jeq s PHE 345 Cb 0.00 -1.22 0.11 0.00 0.51 0.00 0.00 43.02 42.42 1jeq s PHE 345 CO 0.00 0.26 1.12 0.00 0.70 0.00 0.00 175.22 177.29 1jeq n LYS 347 N -0.28 1.95 -0.36 0.00 5.02 -1.26 -0.51 118.16 122.72 1jeq n LYS 347 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1jeq n LYS 347 Cb 0.61 -2.35 0.14 0.00 -0.02 0.00 0.00 35.03 33.41 1jeq n LYS 347 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jeq h SER 348 N 4.30 1.03 -0.53 4.39 0.87 -1.70 -2.26 113.55 119.64 1jeq h SER 348 Ca -0.45 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.26 1jeq h SER 348 Cb 1.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1jeq h SER 348 CO 0.76 0.70 0.51 0.77 -0.53 0.00 0.00 176.83 179.04 1jeq h SER 349 N 1.19 0.00 1.50 6.23 4.64 -1.89 -0.72 113.55 124.50 1jeq h SER 349 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1jeq h SER 349 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1jeq h SER 349 CO -0.13 0.00 -0.31 1.56 -0.87 0.00 0.00 176.83 177.08 1jeq h GLN 350 N 0.00 0.00 -4.01 4.77 4.20 -1.77 -3.38 115.11 114.92 1jeq h GLN 350 Ca 0.25 0.00 -0.77 0.00 0.06 0.00 0.00 58.65 58.19 1jeq h GLN 350 Cb 1.27 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.81 1jeq h GLN 350 CO -0.00 0.31 0.15 0.08 -0.67 0.00 0.00 178.83 178.69 1jeq s VAL 351 N -3.18 5.47 0.19 -0.54 1.01 -0.28 -5.03 120.40 118.03 1jeq s VAL 351 Ca 0.04 -2.25 -0.27 0.00 0.00 0.00 0.00 61.98 59.49 1jeq s VAL 351 Cb 0.07 -4.49 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 1jeq s VAL 351 CO 0.70 -1.07 0.85 -1.10 0.00 0.00 0.00 175.10 174.47 1jeq s GLN 352 N 0.62 4.68 0.44 2.72 -0.21 -1.26 -4.97 119.66 121.68 1jeq s GLN 352 Ca 0.18 1.29 0.18 0.00 0.02 0.00 0.00 55.36 57.04 1jeq s GLN 352 Cb -0.12 -3.28 1.13 0.00 1.00 0.00 0.00 33.01 31.74 1jeq s GLN 352 CO -0.08 0.53 1.91 -0.09 -2.12 0.00 0.00 175.29 175.44 1jeq h ARG 353 N 4.36 0.33 0.00 2.91 2.43 -1.95 -0.91 114.38 121.55 1jeq h ARG 353 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1jeq h ARG 353 Cb 1.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1jeq h ARG 353 CO 0.67 0.22 0.00 2.89 -1.51 0.00 0.00 179.97 182.24 1jeq n ARG 354 N -4.46 0.10 -0.01 0.20 1.85 -1.26 -0.94 116.66 112.14 1jeq n ARG 354 Ca 0.16 0.15 0.10 0.00 -1.00 0.00 0.00 57.85 57.25 1jeq n ARG 354 Cb 0.62 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.38 1jeq n ARG 354 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jeq n PHE 355 N -1.17 0.00 -1.55 2.89 0.99 -0.35 -4.98 117.46 113.28 1jeq n PHE 355 Ca 0.03 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 57.01 1jeq n PHE 355 Cb 0.03 -0.41 -0.02 0.00 -1.00 0.00 0.00 39.48 38.08 1jeq n PHE 355 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1jeq n PHE 356 N -2.12 0.96 -4.22 1.38 0.99 -0.11 -4.10 117.46 110.23 1jeq n PHE 356 Ca -0.03 0.75 -0.17 0.00 -0.00 0.00 0.00 57.45 58.00 1jeq n PHE 356 Cb 0.48 -2.20 -0.08 0.00 -1.00 0.00 0.00 39.48 36.68 1jeq n PHE 356 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1jeq s MET 357 N -1.16 1.67 0.00 -1.08 -1.94 0.26 -4.98 119.30 112.08 1jeq s MET 357 Ca 0.63 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.74 1jeq s MET 357 Cb -0.78 0.34 0.00 0.00 2.01 0.00 0.00 34.83 36.40 1jeq s MET 357 CO 0.57 -0.63 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 1jeq n GLY 358 N -0.54 -3.74 1.83 -0.03 0.00 -1.26 -3.59 105.19 97.85 1jeq n GLY 358 Ca 0.05 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1jeq n GLY 358 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jeq n ASN 359 N -0.30 2.99 -3.54 1.61 3.02 -1.26 -5.04 115.26 112.73 1jeq n ASN 359 Ca 0.00 -3.19 -0.10 0.00 -0.03 0.00 0.00 54.58 51.26 1jeq n ASN 359 Cb 0.00 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 1jeq n ASN 359 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jeq s GLN 360 N -3.14 1.36 -0.09 3.52 -2.07 -1.26 -4.31 119.66 113.67 1jeq s GLN 360 Ca 0.41 -0.58 -0.00 0.00 -1.82 0.00 0.00 55.36 53.36 1jeq s GLN 360 Cb 0.38 0.57 0.02 0.00 -1.09 0.00 0.00 33.01 32.89 1jeq s GLN 360 CO -0.03 -0.60 -0.05 0.08 -1.32 0.00 0.00 175.29 173.37 1jeq s VAL 361 N -3.72 0.73 -0.08 3.63 1.01 0.14 -4.68 120.40 117.42 1jeq s VAL 361 Ca 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1jeq s VAL 361 Cb -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1jeq s VAL 361 CO -0.07 0.31 0.09 -0.76 0.00 0.00 0.00 175.10 174.67 1jeq s LEU 362 N 1.64 4.08 -0.21 3.92 1.43 -0.80 0.95 118.68 129.69 1jeq s LEU 362 Ca 0.02 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1jeq s LEU 362 Cb -0.13 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1jeq s LEU 362 CO -0.05 0.37 -0.03 -0.54 0.23 0.00 0.00 176.35 176.33 1jeq s LYS 363 N -1.16 3.47 -0.22 1.70 1.02 0.10 0.37 119.74 125.03 1jeq s LYS 363 Ca 0.17 -0.59 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 1jeq s LYS 363 Cb -0.12 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 1jeq s LYS 363 CO 0.06 -0.11 0.12 0.08 -0.92 0.00 0.00 175.35 174.59 1jeq s VAL 364 N 1.28 5.16 0.37 3.17 1.01 0.27 -0.58 120.40 131.08 1jeq s VAL 364 Ca 0.03 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1jeq s VAL 364 Cb -0.14 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1jeq s VAL 364 CO -0.01 0.39 0.04 -0.36 0.00 0.00 0.00 175.10 175.17 1jeq s PHE 365 N 0.79 2.16 0.38 5.22 0.40 0.51 -2.10 117.98 125.35 1jeq s PHE 365 Ca 0.06 -0.87 -0.25 0.00 -0.60 0.00 0.00 56.93 55.28 1jeq s PHE 365 Cb -0.13 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 41.83 1jeq s PHE 365 CO 0.02 0.17 1.04 0.00 0.70 0.00 0.00 175.22 177.14 1jeq s ALA 366 N -3.06 3.12 0.35 5.36 0.00 -1.26 0.11 121.76 126.39 1jeq s ALA 366 Ca 0.34 0.68 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 1jeq s ALA 366 Cb 0.09 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.79 1jeq s ALA 366 CO 0.16 -0.15 0.27 0.00 0.00 0.00 0.00 175.76 176.05 1jeq n ALA 367 N 0.09 -2.72 -1.83 0.00 0.00 0.05 -4.44 120.51 111.67 1jeq n ALA 367 Ca 0.04 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 1jeq n ALA 367 Cb 0.49 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1jeq n ALA 367 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1jeq s ARG 368 N -1.09 4.17 -1.06 0.00 3.52 -1.26 -2.88 118.95 120.35 1jeq s ARG 368 Ca 0.61 2.49 -0.05 0.00 -0.13 0.00 0.00 55.73 58.65 1jeq s ARG 368 Cb -0.71 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1jeq s ARG 368 CO 0.60 -0.70 0.69 -0.25 -0.81 0.00 0.00 175.30 174.83 1jeq n ASP 369 N 4.22 -5.09 -3.73 -2.12 8.00 -1.26 -4.99 116.55 111.59 1jeq n ASP 369 Ca 0.15 -0.32 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 1jeq n ASP 369 Cb 0.37 -3.79 -0.11 0.00 -0.02 0.00 0.00 41.12 37.56 1jeq n ASP 369 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jeq n ASP 370 N -1.61 2.09 -0.33 -2.24 -0.08 -1.14 -4.96 116.55 108.28 1jeq n ASP 370 Ca -0.03 -3.00 0.15 0.00 -1.51 0.00 0.00 54.79 50.40 1jeq n ASP 370 Cb 0.56 -0.70 0.34 0.00 2.34 0.00 0.00 41.12 43.67 1jeq n ASP 370 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1jeq h GLU 371 N 5.35 0.50 0.42 -0.67 4.81 -1.94 0.25 114.58 123.30 1jeq h GLU 371 Ca 0.18 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1jeq h GLU 371 Cb 0.79 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1jeq h GLU 371 CO 0.63 0.33 -0.40 0.00 -0.73 0.00 0.00 179.01 178.83 1jeq h ALA 372 N 1.71 -0.89 -0.66 2.92 0.00 -1.98 -0.31 119.26 120.04 1jeq h ALA 372 Ca 0.60 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.41 1jeq h ALA 372 Cb 1.11 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1jeq h ALA 372 CO -0.49 -1.04 0.39 0.00 0.00 0.00 0.00 179.25 178.11 1jeq h ALA 373 N -0.48 0.88 -0.67 0.00 0.00 -1.59 0.96 119.26 118.36 1jeq h ALA 373 Ca -0.04 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.02 1jeq h ALA 373 Cb 0.74 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1jeq h ALA 373 CO -0.06 0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1jeq h ALA 374 N 1.32 0.69 -0.28 0.00 0.00 0.12 0.23 119.26 121.33 1jeq h ALA 374 Ca 0.28 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 1jeq h ALA 374 Cb 0.11 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jeq h ALA 374 CO -0.14 -0.40 -0.18 0.28 0.00 0.00 0.00 179.25 178.81 1jeq h VAL 375 N 0.13 1.30 0.16 0.00 2.07 -0.02 -1.66 116.25 118.22 1jeq h VAL 375 Ca 0.36 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1jeq h VAL 375 Cb 0.60 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1jeq h VAL 375 CO -0.57 0.42 -0.32 0.00 0.02 0.00 0.00 177.57 177.11 1jeq h ALA 376 N 0.72 -0.58 -0.73 1.67 0.00 0.75 -1.38 119.26 119.71 1jeq h ALA 376 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jeq h ALA 376 Cb 0.72 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1jeq h ALA 376 CO 0.05 -0.88 0.48 1.25 0.00 0.00 0.00 179.25 180.15 1jeq h LEU 377 N -0.57 0.81 -0.72 0.00 5.85 -0.64 -2.38 115.31 117.66 1jeq h LEU 377 Ca 0.02 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1jeq h LEU 377 Cb 0.59 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1jeq h LEU 377 CO -0.17 0.58 0.32 -1.28 -0.34 0.00 0.00 178.44 177.55 1jeq h SER 378 N 0.96 0.36 0.28 1.25 0.87 -0.75 0.20 113.55 116.72 1jeq h SER 378 Ca 0.27 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1jeq h SER 378 Cb -0.08 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1jeq h SER 378 CO -0.07 0.18 -0.46 0.28 -0.53 0.00 0.00 176.83 176.23 1jeq h SER 379 N 0.51 -1.32 -0.26 6.23 0.02 -0.75 -0.05 113.55 117.92 1jeq h SER 379 Ca 0.38 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.50 1jeq h SER 379 Cb 0.49 0.46 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1jeq h SER 379 CO -0.33 -0.55 -0.43 0.25 -1.14 0.00 0.00 176.83 174.63 1jeq h LEU 380 N -0.79 -1.38 -0.25 5.07 6.46 -0.99 0.67 115.31 124.09 1jeq h LEU 380 Ca -0.03 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1jeq h LEU 380 Cb 0.73 0.58 -0.08 0.00 -0.73 0.00 0.00 40.66 41.16 1jeq h LEU 380 CO -0.15 -0.40 -0.31 0.40 -0.62 0.00 0.00 178.44 177.36 1jeq h ILE 381 N -0.41 0.28 -0.27 4.05 2.04 -0.39 0.14 117.51 122.95 1jeq h ILE 381 Ca 0.10 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 1jeq h ILE 381 Cb 0.61 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1jeq h ILE 381 CO -0.48 0.00 -0.26 0.45 0.00 0.00 0.00 178.15 177.86 1jeq h HIS 382 N -0.32 0.58 -1.00 1.37 3.86 -0.62 -1.25 115.15 117.78 1jeq h HIS 382 Ca 0.13 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1jeq h HIS 382 Cb 0.53 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 1jeq h HIS 382 CO -0.46 0.73 0.65 0.00 0.86 0.00 0.00 177.93 179.71 1jeq h ALA 383 N 1.27 1.37 -0.05 2.45 0.00 0.15 -0.66 119.26 123.79 1jeq h ALA 383 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1jeq h ALA 383 Cb 0.69 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jeq h ALA 383 CO 0.05 0.46 -0.73 -0.07 0.00 0.00 0.00 179.25 178.96 1jeq h LEU 384 N 1.19 0.73 -1.64 0.00 3.38 -0.25 -2.74 115.31 115.98 1jeq h LEU 384 Ca 0.42 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1jeq h LEU 384 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jeq h LEU 384 CO -0.16 1.33 0.04 -0.78 0.09 0.00 0.00 178.44 178.95 1jeq h ASP 385 N 0.19 0.24 0.00 -0.43 3.58 -0.93 0.60 116.42 119.65 1jeq h ASP 385 Ca -0.08 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1jeq h ASP 385 Cb 1.40 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1jeq h ASP 385 CO 0.15 0.26 0.00 0.47 -2.88 0.00 0.00 179.24 177.24 1jeq n ASP 386 N -4.41 0.00 0.00 2.28 9.92 -0.28 -3.45 116.55 120.60 1jeq n ASP 386 Ca -0.00 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1jeq n ASP 386 Cb 0.15 -0.45 0.01 0.00 -0.64 0.00 0.00 41.12 40.20 1jeq n ASP 386 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1jeq n LEU 387 N -1.84 0.00 -3.34 0.64 4.77 -1.04 -4.81 117.00 111.38 1jeq n LEU 387 Ca 0.00 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 1jeq n LEU 387 Cb 0.00 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1jeq n LEU 387 CO 0.00 -0.46 0.22 -0.67 -1.33 0.00 0.00 177.39 175.15 1jeq n ASP 388 N -1.47 -5.76 -1.96 -1.43 2.03 0.03 -4.95 116.55 103.04 1jeq n ASP 388 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1jeq n ASP 388 Cb 0.01 -4.68 0.00 0.00 -0.72 0.00 0.00 41.12 35.73 1jeq n ASP 388 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1jeq n MET 389 N -4.60 1.67 -3.74 -0.67 2.81 -0.23 -2.25 117.12 110.11 1jeq n MET 389 Ca -0.01 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 1jeq n MET 389 Cb 0.56 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.04 1jeq n MET 389 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1jeq s VAL 390 N -0.24 0.02 -0.16 2.03 -7.23 0.34 -4.59 120.40 110.57 1jeq s VAL 390 Ca 0.00 -0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 1jeq s VAL 390 Cb 0.00 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1jeq s VAL 390 CO 0.00 -0.11 0.04 0.00 -0.31 0.00 0.00 175.10 174.72 1jeq s ALA 391 N -3.87 3.34 -0.24 1.32 0.00 -0.66 -0.83 121.76 120.81 1jeq s ALA 391 Ca 0.09 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1jeq s ALA 391 Cb -0.01 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1jeq s ALA 391 CO -0.03 0.29 0.35 0.42 0.00 0.00 0.00 175.76 176.79 1jeq s ILE 392 N 0.06 5.21 0.18 0.00 -1.09 -0.31 -0.46 121.20 124.79 1jeq s ILE 392 Ca 0.04 0.55 0.07 0.00 -2.23 0.00 0.00 60.65 59.08 1jeq s ILE 392 Cb -0.12 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1jeq s ILE 392 CO 0.01 0.22 -0.13 0.68 -1.23 0.00 0.00 174.94 174.48 1jeq s VAL 393 N 1.67 1.55 -0.26 2.92 -7.23 0.11 -0.89 120.40 118.28 1jeq s VAL 393 Ca 0.15 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1jeq s VAL 393 Cb -0.15 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1jeq s VAL 393 CO 0.09 -0.60 0.15 -0.60 -0.31 0.00 0.00 175.10 173.83 1jeq s ARG 394 N -3.52 3.95 -0.10 4.82 3.52 -0.32 -0.46 118.95 126.83 1jeq s ARG 394 Ca 0.19 -0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1jeq s ARG 394 Cb -0.01 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1jeq s ARG 394 CO 0.05 -0.07 -0.17 -0.47 -0.81 0.00 0.00 175.30 173.83 1jeq s TYR 395 N 1.41 2.70 -0.17 5.12 5.04 0.30 -2.36 117.35 129.39 1jeq s TYR 395 Ca 0.07 -0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 54.01 1jeq s TYR 395 Cb -0.15 -1.75 0.07 0.00 0.35 0.00 0.00 41.96 40.48 1jeq s TYR 395 CO 0.07 -0.18 0.14 0.00 -1.34 0.00 0.00 175.55 174.23 1jeq s ALA 396 N 0.10 0.14 0.07 3.97 0.00 -0.95 0.71 121.76 125.80 1jeq s ALA 396 Ca -0.08 -0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 1jeq s ALA 396 Cb -0.15 -1.09 -0.17 0.00 0.00 0.00 0.00 23.12 21.70 1jeq s ALA 396 CO 0.05 -1.11 1.50 -0.92 0.00 0.00 0.00 175.76 175.29 1jeq h TYR 397 N 8.38 -1.20 -4.22 0.00 3.20 -1.88 -1.35 116.97 119.90 1jeq h TYR 397 Ca -0.15 -0.01 -0.37 0.00 3.14 0.00 0.00 58.73 61.33 1jeq h TYR 397 Cb 1.15 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 39.76 1jeq h TYR 397 CO 0.18 -0.65 -0.36 -0.40 -1.64 0.00 0.00 178.16 175.29 1jeq n ASP 398 N -5.24 -0.24 -0.25 -2.11 5.68 -1.26 -4.65 116.55 108.49 1jeq n ASP 398 Ca -0.13 -2.66 -0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1jeq n ASP 398 Cb 0.45 1.19 0.12 0.00 -1.14 0.00 0.00 41.12 41.73 1jeq n ASP 398 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1jeq h LYS 399 N 0.00 0.67 0.00 0.11 3.64 -1.91 -2.04 116.57 117.05 1jeq h LYS 399 Ca -0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1jeq h LYS 399 Cb 0.91 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1jeq h LYS 399 CO 0.28 0.44 0.00 -2.13 -2.27 0.00 0.00 179.45 175.78 1jeq n ARG 400 N -4.79 0.08 -2.31 1.90 0.63 -1.26 -4.62 116.66 106.29 1jeq n ARG 400 Ca 0.10 0.04 -0.35 0.00 -0.92 0.00 0.00 57.85 56.72 1jeq n ARG 400 Cb 0.21 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.62 1jeq n ARG 400 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jeq s ALA 401 N -2.91 2.73 -0.19 5.13 0.00 -0.77 -5.01 121.76 120.75 1jeq s ALA 401 Ca 0.16 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 1jeq s ALA 401 Cb 0.18 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1jeq s ALA 401 CO 0.47 -0.68 0.93 -0.80 0.00 0.00 0.00 175.76 175.69 1jeq s ASN 402 N -1.86 7.04 0.70 0.00 0.01 -1.26 -4.89 114.94 114.68 1jeq s ASN 402 Ca 0.71 1.29 -0.16 0.00 -0.71 0.00 0.00 52.86 53.98 1jeq s ASN 402 Cb -0.22 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 1jeq s ASN 402 CO 0.26 -0.51 0.76 -0.81 -1.51 0.00 0.00 177.10 175.28 1jeq n PRO 403 N 5.66 0.45 -4.21 -0.60 -0.04 -1.26 -4.84 135.00 130.16 1jeq n PRO 403 Ca 0.08 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1jeq n PRO 403 Cb 0.48 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 1jeq n PRO 403 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jeq s GLN 404 N -2.96 0.94 -0.10 0.54 -0.21 0.22 -4.95 119.66 113.15 1jeq s GLN 404 Ca 0.70 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.81 1jeq s GLN 404 Cb -0.36 -0.56 0.01 0.00 1.00 0.00 0.00 33.01 33.10 1jeq s GLN 404 CO 0.53 0.07 -0.18 0.08 -2.12 0.00 0.00 175.29 173.68 1jeq s VAL 405 N -2.90 1.65 0.11 1.09 1.01 -1.26 0.11 120.40 120.21 1jeq s VAL 405 Ca 0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1jeq s VAL 405 Cb 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1jeq s VAL 405 CO -0.00 0.47 0.19 0.61 0.00 0.00 0.00 175.10 176.37 1jeq n GLY 406 N 3.86 2.21 3.62 4.51 0.00 0.39 -0.32 105.19 119.46 1jeq n GLY 406 Ca -0.20 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1jeq n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jeq s VAL 407 N -2.65 3.64 -0.25 1.61 0.11 0.08 0.09 120.40 123.03 1jeq s VAL 407 Ca 0.06 -1.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.04 1jeq s VAL 407 Cb -0.01 -2.69 0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1jeq s VAL 407 CO 0.05 0.18 0.02 0.00 -3.33 0.00 0.00 175.10 172.02 1jeq s ALA 408 N -1.20 1.60 0.05 1.54 0.00 0.39 -1.32 121.76 122.82 1jeq s ALA 408 Ca 0.22 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 50.95 1jeq s ALA 408 Cb -0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1jeq s ALA 408 CO 0.14 -1.34 -0.15 -0.59 0.00 0.00 0.00 175.76 173.82 1jeq s PHE 409 N 1.57 2.63 0.61 0.00 -0.12 -0.97 -1.65 117.98 120.05 1jeq s PHE 409 Ca 0.01 -0.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.49 1jeq s PHE 409 Cb -0.18 -1.48 -0.03 0.00 -0.63 0.00 0.00 43.02 40.71 1jeq s PHE 409 CO -0.12 0.30 1.27 -0.35 -0.05 0.00 0.00 175.22 176.28 1jeq n PRO 410 N 1.40 1.26 -3.38 1.99 -0.04 -1.26 -1.26 135.00 133.71 1jeq n PRO 410 Ca -0.16 0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1jeq n PRO 410 Cb 0.52 -2.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 1jeq n PRO 410 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1jeq s HIS 411 N -1.37 -0.66 -0.09 0.54 2.46 -0.54 -4.82 115.29 110.81 1jeq s HIS 411 Ca 0.78 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.56 1jeq s HIS 411 Cb -0.40 -0.26 -0.03 0.00 -0.13 0.00 0.00 32.58 31.77 1jeq s HIS 411 CO 0.44 -0.85 -0.09 0.42 -2.47 0.00 0.00 174.74 172.19 1jeq s ILE 412 N 2.45 3.51 0.18 0.89 1.01 -1.26 -1.97 121.20 126.00 1jeq s ILE 412 Ca 0.10 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1jeq s ILE 412 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1jeq s ILE 412 CO -0.26 0.56 0.15 0.29 0.00 0.00 0.00 174.94 175.69 1jeq n LYS 413 N 2.74 0.24 0.12 2.79 4.76 -0.38 -5.03 118.16 123.39 1jeq n LYS 413 Ca -0.18 -1.80 -0.13 0.00 -2.87 0.00 0.00 58.31 53.33 1jeq n LYS 413 Cb 0.53 1.46 -0.08 0.00 -1.84 0.00 0.00 35.03 35.09 1jeq n LYS 413 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1jeq h HIS 414 N 1.57 -0.25 0.00 2.13 6.17 -2.05 -3.33 115.15 119.39 1jeq h HIS 414 Ca -0.13 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 60.94 1jeq h HIS 414 Cb 0.65 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.66 1jeq h HIS 414 CO 0.00 -0.00 -0.92 -0.91 0.71 0.00 0.00 177.93 176.81 1jeq h ASN 415 N -0.48 0.00 -5.01 3.26 2.35 -2.03 -3.49 115.58 110.18 1jeq h ASN 415 Ca -0.03 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1jeq h ASN 415 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1jeq h ASN 415 CO 0.05 0.01 0.25 -0.72 -1.65 0.00 0.00 177.43 175.36 1jeq s TYR 416 N -3.34 0.02 0.00 1.19 -0.85 -1.25 -5.16 117.35 107.95 1jeq s TYR 416 Ca 0.00 -0.61 -0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1jeq s TYR 416 Cb 0.09 0.78 -0.00 0.00 0.38 0.00 0.00 41.96 43.20 1jeq s TYR 416 CO 0.78 -1.44 0.01 -1.21 -1.52 0.00 0.00 175.55 172.17 1jeq s GLU 417 N -2.91 0.15 0.11 -3.49 2.02 -1.26 -1.25 118.70 112.05 1jeq s GLU 417 Ca 0.14 -0.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.68 1jeq s GLU 417 Cb -0.05 0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.32 1jeq s GLU 417 CO 0.10 -0.02 1.12 0.00 0.02 0.00 0.00 175.26 176.47 1jeq s LEU 419 N -3.39 3.24 -0.30 0.00 1.43 -0.89 -1.46 118.68 117.31 1jeq s LEU 419 Ca 0.21 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 1jeq s LEU 419 Cb -0.01 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1jeq s LEU 419 CO 0.02 0.36 0.20 -0.69 0.23 0.00 0.00 176.35 176.48 1jeq s VAL 420 N -0.80 5.30 -0.03 -1.59 1.01 -0.39 -0.56 120.40 123.33 1jeq s VAL 420 Ca 0.12 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1jeq s VAL 420 Cb -0.11 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1jeq s VAL 420 CO 0.02 0.17 0.35 -0.47 0.00 0.00 0.00 175.10 175.17 1jeq s TYR 421 N 1.75 3.69 -0.15 5.22 5.04 0.16 -2.30 117.35 130.76 1jeq s TYR 421 Ca 0.07 0.88 -0.08 0.00 -2.44 0.00 0.00 57.07 55.49 1jeq s TYR 421 Cb -0.16 -2.22 0.05 0.00 0.35 0.00 0.00 41.96 39.98 1jeq s TYR 421 CO 0.11 0.65 0.36 0.08 -1.34 0.00 0.00 175.55 175.40 1jeq s VAL 422 N -0.99 -0.03 0.36 3.14 1.01 -0.44 -1.91 120.40 121.55 1jeq s VAL 422 Ca 0.22 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 1jeq s VAL 422 Cb -0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.58 1jeq s VAL 422 CO 0.11 0.04 1.39 -1.58 0.00 0.00 0.00 175.10 175.06 1jeq s GLN 423 N 1.35 4.18 0.53 2.72 0.74 -1.24 -0.74 119.66 127.20 1jeq s GLN 423 Ca -0.09 2.37 0.07 0.00 0.05 0.00 0.00 55.36 57.76 1jeq s GLN 423 Cb -0.09 -2.97 0.05 0.00 1.10 0.00 0.00 33.01 31.09 1jeq s GLN 423 CO -0.11 -0.39 0.55 -0.51 -0.55 0.00 0.00 175.29 174.27 1jeq s LEU 424 N -2.04 3.00 0.32 3.68 1.43 0.57 -0.58 118.68 125.06 1jeq s LEU 424 Ca 0.52 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1jeq s LEU 424 Cb -0.43 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1jeq s LEU 424 CO 0.57 -1.11 0.58 -2.16 0.23 0.00 0.00 176.35 174.45 1jeq s PRO 425 N -4.41 3.59 0.29 1.29 0.04 -1.26 -4.67 135.00 129.87 1jeq s PRO 425 Ca 0.47 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 1jeq s PRO 425 Cb -0.04 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1jeq s PRO 425 CO 0.29 0.15 0.50 -0.06 0.04 0.00 0.00 177.00 177.93 1jeq s PHE 426 N -2.21 3.49 0.21 0.56 2.99 -1.26 -5.00 117.98 116.76 1jeq s PHE 426 Ca 0.43 0.40 -0.09 0.00 0.00 0.00 0.00 56.93 57.67 1jeq s PHE 426 Cb -0.10 -1.92 0.31 0.00 0.00 0.00 0.00 43.02 41.31 1jeq s PHE 426 CO 0.33 0.21 1.71 1.98 -0.00 0.00 0.00 175.22 179.45 1jeq h MET 427 N 1.29 0.29 0.00 0.44 1.85 -1.99 -0.84 114.93 115.97 1jeq h MET 427 Ca -0.49 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 1jeq h MET 427 Cb 1.21 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.17 1jeq h MET 427 CO 0.64 0.19 0.00 0.39 -0.40 0.00 0.00 176.91 177.73 1jeq n GLU 428 N -5.10 0.08 0.03 0.39 4.71 -1.26 -0.80 120.64 118.69 1jeq n GLU 428 Ca 0.10 0.21 0.11 0.00 -0.01 0.00 0.00 57.16 57.57 1jeq n GLU 428 Cb 0.33 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.29 1jeq n GLU 428 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jeq n ASP 429 N -1.25 0.62 -4.68 1.62 8.00 -0.32 -4.90 116.55 115.64 1jeq n ASP 429 Ca 0.03 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.94 1jeq n ASP 429 Cb 0.04 0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 1jeq n ASP 429 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jeq s LEU 430 N -4.01 4.19 -0.37 0.64 1.43 0.02 -4.99 118.68 115.59 1jeq s LEU 430 Ca 0.04 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1jeq s LEU 430 Cb 0.14 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.91 1jeq s LEU 430 CO 0.80 -0.55 0.12 -0.13 0.23 0.00 0.00 176.35 176.81 1jeq s ARG 431 N 2.53 1.97 -0.48 1.70 0.52 -1.26 -5.05 118.95 118.87 1jeq s ARG 431 Ca 0.48 -1.71 -0.16 0.00 -0.52 0.00 0.00 55.73 53.81 1jeq s ARG 431 Cb -0.18 -3.40 0.07 0.00 0.52 0.00 0.00 34.95 31.97 1jeq s ARG 431 CO 0.14 -0.94 0.43 -0.65 0.02 0.00 0.00 175.30 174.30 1jeq s GLN 432 N 1.10 3.00 -0.01 3.54 -0.21 -1.26 -5.05 119.66 120.77 1jeq s GLN 432 Ca 0.06 -1.31 0.04 0.00 0.02 0.00 0.00 55.36 54.17 1jeq s GLN 432 Cb -0.21 -4.14 -0.03 0.00 1.00 0.00 0.00 33.01 29.63 1jeq s GLN 432 CO -0.05 -1.07 -0.11 0.71 -2.12 0.00 0.00 175.29 172.66 1jeq s TYR 433 N 1.78 2.79 0.20 0.91 4.12 -1.26 -5.12 117.35 120.76 1jeq s TYR 433 Ca 0.05 -0.10 -0.06 0.00 0.02 0.00 0.00 57.07 56.99 1jeq s TYR 433 Cb -0.24 -1.60 -0.06 0.00 -1.52 0.00 0.00 41.96 38.54 1jeq s TYR 433 CO 0.07 0.30 0.45 -1.64 0.02 0.00 0.00 175.55 174.75 1jeq s MET 434 N -1.16 3.66 0.03 -0.62 -1.94 -1.26 -5.10 119.30 112.91 1jeq s MET 434 Ca 0.15 -0.00 0.03 0.00 -1.71 0.00 0.00 55.69 54.15 1jeq s MET 434 Cb -0.11 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.95 1jeq s MET 434 CO 0.04 0.38 -0.10 -0.06 -0.01 0.00 0.00 175.02 175.28 1jeq s PHE 435 N -1.79 0.83 -0.04 -0.03 0.40 -1.26 -5.13 117.98 110.96 1jeq s PHE 435 Ca 0.43 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 1jeq s PHE 435 Cb -0.12 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 1jeq s PHE 435 CO 0.25 -0.02 1.34 -1.12 0.70 0.00 0.00 175.22 176.37 1jeq s SER 436 N -1.12 6.91 0.16 1.36 0.01 -1.26 -4.96 113.70 114.79 1jeq s SER 436 Ca -0.03 1.98 -0.34 0.00 1.31 0.00 0.00 55.95 58.87 1jeq s SER 436 Cb -0.08 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.45 1jeq s SER 436 CO 0.01 -0.70 1.34 -1.20 0.41 0.00 0.00 173.24 173.10 1jeq n SER 437 N 5.57 2.01 0.02 2.44 7.64 -1.26 -4.84 113.62 125.21 1jeq n SER 437 Ca 0.13 1.12 0.11 0.00 1.01 0.00 0.00 58.87 61.24 1jeq n SER 437 Cb 0.44 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 1jeq n SER 437 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jeq n LEU 438 N 2.45 0.50 -0.04 -3.43 4.77 -1.26 -3.96 117.00 116.03 1jeq n LEU 438 Ca 0.16 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1jeq n LEU 438 Cb 0.25 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1jeq n LEU 438 CO 0.62 0.02 0.47 0.50 -1.33 0.00 0.00 177.39 177.68 1jeq h LYS 439 N 0.00 0.32 -0.11 3.23 3.64 -2.01 -3.17 116.57 118.47 1jeq h LYS 439 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1jeq h LYS 439 Cb 0.82 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1jeq h LYS 439 CO 0.00 0.86 0.00 0.09 -2.27 0.00 0.00 179.45 178.13 1jeq n ASN 440 N -4.47 0.83 -4.61 4.20 3.02 -1.26 -4.80 115.26 108.16 1jeq n ASN 440 Ca -0.08 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.31 1jeq n ASN 440 Cb 0.46 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1jeq n ASN 440 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1jeq s SER 441 N -1.34 6.75 0.44 6.41 0.15 -1.20 -4.86 113.70 120.05 1jeq s SER 441 Ca 0.22 0.68 0.24 0.00 0.70 0.00 0.00 55.95 57.80 1jeq s SER 441 Cb 0.11 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.35 1jeq s SER 441 CO 0.17 -1.06 1.65 0.11 1.20 0.00 0.00 173.24 175.32 1jeq h LYS 442 N 8.71 0.00 -0.15 5.44 1.79 -1.90 -1.25 116.57 129.21 1jeq h LYS 442 Ca -0.22 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.07 1jeq h LYS 442 Cb 1.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1jeq h LYS 442 CO 1.07 0.00 -0.65 0.87 -1.08 0.00 0.00 179.45 179.66 1jeq h LYS 443 N 0.00 0.56 0.00 3.15 1.57 -1.96 -3.37 116.57 116.52 1jeq h LYS 443 Ca 0.00 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1jeq h LYS 443 Cb 0.94 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1jeq h LYS 443 CO 0.00 1.03 -0.99 0.66 -0.57 0.00 0.00 179.45 179.58 1jeq n TYR 444 N -3.91 0.00 -1.63 -1.35 4.02 -1.21 -5.04 117.16 108.03 1jeq n TYR 444 Ca -0.04 0.00 -0.64 0.00 -0.01 0.00 0.00 57.90 57.21 1jeq n TYR 444 Cb 0.67 -0.12 -0.09 0.00 -0.02 0.00 0.00 39.34 39.78 1jeq n TYR 444 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jeq n ALA 445 N -1.56 -2.41 -1.75 -0.72 0.00 -0.48 -4.89 120.51 108.70 1jeq n ALA 445 Ca -0.00 0.55 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 1jeq n ALA 445 Cb 0.19 -1.85 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 1jeq n ALA 445 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jeq s PRO 446 N 1.59 3.63 0.95 0.00 0.04 -1.26 -5.05 135.00 134.90 1jeq s PRO 446 Ca 0.98 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1jeq s PRO 446 Cb -1.38 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 31.25 1jeq s PRO 446 CO 0.70 -0.56 1.25 0.95 0.04 0.00 0.00 177.00 179.38 1jeq s THR 447 N -2.36 1.95 0.15 1.26 -4.23 -1.26 -4.83 115.64 106.32 1jeq s THR 447 Ca 0.63 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.29 1jeq s THR 447 Cb -0.14 -2.91 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1jeq s THR 447 CO 0.30 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.91 1jeq h GLU 448 N -1.61 0.00 -0.21 3.99 4.57 -1.99 -0.48 114.58 118.85 1jeq h GLU 448 Ca -0.45 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.60 1jeq h GLU 448 Cb 1.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1jeq h GLU 448 CO 0.46 0.53 -0.41 0.00 -1.18 0.00 0.00 179.01 178.42 1jeq h ALA 449 N 1.47 0.91 0.05 2.92 0.00 -2.00 -2.90 119.26 119.71 1jeq h ALA 449 Ca -0.01 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 1jeq h ALA 449 Cb 1.11 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.82 1jeq h ALA 449 CO 0.07 0.63 -0.93 1.96 0.00 0.00 0.00 179.25 180.98 1jeq h GLN 450 N 0.41 0.53 0.58 0.00 4.20 -1.82 -3.09 115.11 115.92 1jeq h GLN 450 Ca 0.04 -0.65 -0.03 0.00 0.06 0.00 0.00 58.65 58.07 1jeq h GLN 450 Cb 0.89 0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.87 1jeq h GLN 450 CO 0.08 1.26 -0.28 -0.07 -0.67 0.00 0.00 178.83 179.15 1jeq h LEU 451 N 0.10 -0.66 -2.14 1.46 3.38 -1.08 -2.36 115.31 114.01 1jeq h LEU 451 Ca -0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1jeq h LEU 451 Cb 1.63 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1jeq h LEU 451 CO 0.18 -0.45 -0.03 0.78 0.09 0.00 0.00 178.44 179.01 1jeq h ASN 452 N -0.81 0.00 -0.49 -0.43 2.35 -1.67 0.93 115.58 115.47 1jeq h ASN 452 Ca -0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1jeq h ASN 452 Cb 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1jeq h ASN 452 CO 0.13 0.03 0.27 0.00 -1.65 0.00 0.00 177.43 176.21 1jeq h ALA 453 N 1.97 0.62 -0.19 -0.83 0.00 -1.36 0.23 119.26 119.70 1jeq h ALA 453 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1jeq h ALA 453 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jeq h ALA 453 CO 0.00 0.14 -0.53 0.28 0.00 0.00 0.00 179.25 179.14 1jeq h VAL 454 N 0.64 1.31 -0.71 0.00 2.07 -0.73 -2.64 116.25 116.20 1jeq h VAL 454 Ca 0.17 -1.76 0.14 0.00 0.82 0.00 0.00 66.70 66.07 1jeq h VAL 454 Cb 0.04 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1jeq h VAL 454 CO -0.03 0.55 0.48 -0.78 0.02 0.00 0.00 177.57 177.81 1jeq h ASP 455 N 0.39 0.33 -0.05 0.57 1.82 -0.56 0.57 116.42 119.50 1jeq h ASP 455 Ca -0.01 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1jeq h ASP 455 Cb 1.15 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.11 1jeq h ASP 455 CO 0.11 0.18 -0.04 0.00 -1.61 0.00 0.00 179.24 177.88 1jeq h ALA 456 N 1.66 0.07 0.32 -0.78 0.00 -0.73 -2.90 119.26 116.90 1jeq h ALA 456 Ca 0.34 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jeq h ALA 456 Cb 0.84 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jeq h ALA 456 CO -0.10 -0.16 -0.27 1.25 0.00 0.00 0.00 179.25 179.97 1jeq h LEU 457 N -0.32 -0.72 -0.75 0.00 5.85 -0.72 -1.91 115.31 116.75 1jeq h LEU 457 Ca 0.01 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.93 1jeq h LEU 457 Cb 0.51 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 1jeq h LEU 457 CO 0.01 -0.40 0.30 0.40 -0.34 0.00 0.00 178.44 178.41 1jeq h ILE 458 N -0.60 0.67 -0.13 4.05 2.04 -1.06 0.12 117.51 122.59 1jeq h ILE 458 Ca -0.02 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1jeq h ILE 458 Cb 0.54 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1jeq h ILE 458 CO -0.03 0.08 0.01 0.44 0.00 0.00 0.00 178.15 178.65 1jeq h ASP 459 N 0.45 -0.03 -0.29 1.72 3.32 -1.26 -2.88 116.42 117.45 1jeq h ASP 459 Ca 0.41 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.42 1jeq h ASP 459 Cb 0.61 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1jeq h ASP 459 CO -0.39 0.00 -0.03 0.77 -1.72 0.00 0.00 179.24 177.87 1jeq h SER 460 N 0.05 0.62 -0.53 6.45 4.64 -0.46 -2.93 113.55 121.41 1jeq h SER 460 Ca 0.06 -0.14 -0.20 0.00 -0.47 0.00 0.00 61.79 61.04 1jeq h SER 460 Cb 0.06 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 61.87 1jeq h SER 460 CO -0.09 0.71 0.25 0.23 -0.87 0.00 0.00 176.83 177.06 1jeq n MET 461 N -4.23 2.49 -2.02 4.77 2.81 0.31 -4.49 117.12 116.76 1jeq n MET 461 Ca 0.02 -1.95 -0.42 0.00 -1.81 0.00 0.00 57.70 53.53 1jeq n MET 461 Cb 0.29 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 30.92 1jeq n MET 461 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jeq s SER 462 N -0.47 6.67 -0.53 7.83 0.15 -1.10 -4.89 113.70 121.35 1jeq s SER 462 Ca 0.36 2.51 0.02 0.00 0.70 0.00 0.00 55.95 59.53 1jeq s SER 462 Cb 0.29 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.53 1jeq s SER 462 CO 0.08 -0.76 1.86 0.18 1.20 0.00 0.00 173.24 175.80 1jeq n LEU 463 N 4.02 6.82 -3.80 3.45 4.77 -1.26 -4.91 117.00 126.10 1jeq n LEU 463 Ca 0.13 -4.10 -0.09 0.00 -0.03 0.00 0.00 56.01 51.92 1jeq n LEU 463 Cb 0.40 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1jeq n LEU 463 CO 0.60 1.40 0.28 0.00 -1.33 0.00 0.00 177.39 178.35 1jeq s ALA 464 N -3.61 -0.86 -0.26 -1.18 0.00 -1.26 -1.53 121.76 113.06 1jeq s ALA 464 Ca 0.59 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 1jeq s ALA 464 Cb 0.48 0.89 0.07 0.00 0.00 0.00 0.00 23.12 24.56 1jeq s ALA 464 CO 0.03 -0.84 0.67 0.21 0.00 0.00 0.00 175.76 175.83 1jeq s LYS 465 N -3.90 0.73 -1.13 0.00 2.20 -0.53 -4.93 119.74 112.18 1jeq s LYS 465 Ca 0.12 1.08 -0.21 0.00 -0.36 0.00 0.00 55.97 56.59 1jeq s LYS 465 Cb -0.02 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.60 1jeq s LYS 465 CO 0.00 -0.13 1.57 0.15 -0.36 0.00 0.00 175.35 176.59 1jeq s LYS 466 N 1.05 3.73 0.00 4.03 1.02 -1.26 -1.04 119.74 127.27 1jeq s LYS 466 Ca -0.05 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1jeq s LYS 466 Cb -0.05 -5.43 0.00 0.00 -0.52 0.00 0.00 37.83 31.83 1jeq s LYS 466 CO -0.10 -2.26 0.00 -3.47 -0.92 0.00 0.00 175.35 168.60 1jeq n ASP 467 N 8.80 0.73 0.00 2.83 2.03 -1.13 -4.88 116.55 124.93 1jeq n ASP 467 Ca 0.39 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1jeq n ASP 467 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1jeq n ASP 467 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jeq n GLU 468 N -0.18 0.00 -0.46 -0.67 2.13 -1.26 -2.11 120.64 118.09 1jeq n GLU 468 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1jeq n GLU 468 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1jeq n GLU 468 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1jeq n LYS 469 N 0.00 0.88 0.00 5.31 5.02 -1.26 -4.75 118.16 123.36 1jeq n LYS 469 Ca 0.00 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 1jeq n LYS 469 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1jeq n LYS 469 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jeq n THR 470 N 5.14 0.00 0.15 -0.18 -2.24 -0.90 0.70 114.28 116.95 1jeq n THR 470 Ca 0.27 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1jeq n THR 470 Cb 0.15 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1jeq n THR 470 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jeq n ASP 471 N 0.00 3.14 -4.37 3.42 8.00 -1.26 -4.63 116.55 120.85 1jeq n ASP 471 Ca 0.00 -2.52 -0.30 0.00 0.71 0.00 0.00 54.79 52.68 1jeq n ASP 471 Cb 0.00 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 1jeq n ASP 471 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jeq s THR 472 N -1.55 2.20 -0.14 -3.53 2.01 0.22 -5.10 115.64 109.75 1jeq s THR 472 Ca 0.23 -1.58 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 1jeq s THR 472 Cb 0.19 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1jeq s THR 472 CO 0.06 0.22 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.97 1jeq s LEU 473 N -1.66 3.39 -0.16 4.42 2.96 -1.26 -2.82 118.68 123.55 1jeq s LEU 473 Ca 0.13 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1jeq s LEU 473 Cb -0.10 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1jeq s LEU 473 CO 0.04 0.22 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.52 1jeq s GLU 474 N 0.06 3.17 0.10 1.98 0.41 -0.21 -4.96 118.70 119.25 1jeq s GLU 474 Ca 0.01 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 53.50 1jeq s GLU 474 Cb -0.13 -2.62 -0.06 0.00 -1.78 0.00 0.00 34.13 29.55 1jeq s GLU 474 CO 0.02 -0.04 1.01 0.34 -0.49 0.00 0.00 175.26 176.11 1jeq s ASP 475 N 0.93 7.40 0.00 -0.19 -1.08 -1.26 -1.46 116.67 121.01 1jeq s ASP 475 Ca -0.03 1.84 0.22 0.00 -0.52 0.00 0.00 52.55 54.05 1jeq s ASP 475 Cb -0.15 -2.59 -0.11 0.00 -1.46 0.00 0.00 42.92 38.61 1jeq s ASP 475 CO -0.02 -0.16 0.99 0.18 0.52 0.00 0.00 175.17 176.67 1jeq n LEU 476 N 3.03 1.33 -3.11 -1.34 4.77 -0.58 -4.62 117.00 116.47 1jeq n LEU 476 Ca 0.04 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.25 1jeq n LEU 476 Cb 0.49 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1jeq n LEU 476 CO 0.52 0.29 -0.19 0.33 -1.33 0.00 0.00 177.39 177.01 1jeq n PHE 477 N -0.99 -0.83 -0.58 -1.77 7.35 -1.26 -4.66 117.46 114.73 1jeq n PHE 477 Ca 0.06 -3.27 -0.13 0.00 -0.76 0.00 0.00 57.45 53.34 1jeq n PHE 477 Cb 0.38 0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.17 1jeq n PHE 477 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1jeq n PRO 478 N 1.23 1.46 -0.09 -7.13 -0.02 -1.26 -4.79 135.00 124.39 1jeq n PRO 478 Ca 0.19 -0.97 0.17 0.00 -2.02 0.00 0.00 63.50 60.87 1jeq n PRO 478 Cb 0.57 -2.12 0.26 0.00 -0.02 0.00 0.00 33.50 32.19 1jeq n PRO 478 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jeq n THR 479 N 3.65 0.00 0.52 3.45 -2.24 -1.26 0.78 114.28 119.17 1jeq n THR 479 Ca 0.31 0.87 0.04 0.00 -2.27 0.00 0.00 64.05 63.01 1jeq n THR 479 Cb 0.26 -1.59 0.17 0.00 -2.10 0.00 0.00 70.33 67.06 1jeq n THR 479 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jeq n THR 480 N -2.56 0.87 0.16 4.28 -2.24 -1.26 -3.00 114.28 110.53 1jeq n THR 480 Ca 0.14 -0.54 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1jeq n THR 480 Cb 1.04 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1jeq n THR 480 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jeq n LYS 481 N 0.37 2.74 -3.53 -0.78 5.02 0.23 -4.98 118.16 117.23 1jeq n LYS 481 Ca 0.12 -0.36 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 1jeq n LYS 481 Cb 0.49 -0.86 -0.06 0.00 -0.02 0.00 0.00 35.03 34.58 1jeq n LYS 481 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jeq s ILE 482 N -0.82 5.16 0.59 -0.18 1.01 -1.16 -4.24 121.20 121.56 1jeq s ILE 482 Ca 0.03 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 1jeq s ILE 482 Cb 0.03 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1jeq s ILE 482 CO 0.09 0.51 1.02 -2.16 0.00 0.00 0.00 174.94 174.40 1jeq s PRO 483 N -0.52 3.63 -0.11 2.79 0.04 -1.26 -4.93 135.00 134.63 1jeq s PRO 483 Ca 0.22 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1jeq s PRO 483 Cb -0.15 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1jeq s PRO 483 CO 0.10 -0.54 2.12 1.21 0.04 0.00 0.00 177.00 179.93 1jeq s ASN 484 N -3.62 5.87 0.00 6.66 3.84 -1.26 -4.78 114.94 121.65 1jeq s ASN 484 Ca 0.57 2.23 0.00 0.00 0.21 0.00 0.00 52.86 55.88 1jeq s ASN 484 Cb -0.11 -2.52 0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1jeq s ASN 484 CO 0.44 -1.58 0.46 -0.81 -2.79 0.00 0.00 177.10 172.82 1jeq n PRO 485 N 8.25 0.01 -0.08 0.43 -0.04 -1.26 -2.73 135.00 139.58 1jeq n PRO 485 Ca 0.26 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1jeq n PRO 485 Cb 0.43 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1jeq n PRO 485 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1jeq h ARG 486 N 0.00 0.50 0.13 0.54 2.43 -2.00 -3.17 114.38 112.81 1jeq h ARG 486 Ca 0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1jeq h ARG 486 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1jeq h ARG 486 CO 0.00 0.76 -0.06 0.74 -1.51 0.00 0.00 179.97 179.90 1jeq h PHE 487 N 0.22 -0.16 -0.87 2.20 -1.00 -1.92 -2.16 116.94 113.24 1jeq h PHE 487 Ca 0.05 -0.00 0.19 0.00 2.81 0.00 0.00 57.97 61.02 1jeq h PHE 487 Cb 0.61 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 40.15 1jeq h PHE 487 CO 0.06 0.30 0.58 1.96 -1.61 0.00 0.00 178.31 179.60 1jeq h GLN 488 N -0.89 0.39 0.75 1.51 4.20 -1.76 0.81 115.11 120.11 1jeq h GLN 488 Ca -0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1jeq h GLN 488 Cb 0.53 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1jeq h GLN 488 CO 0.03 0.26 -0.36 -0.09 -0.67 0.00 0.00 178.83 178.00 1jeq h ARG 489 N 0.40 -0.97 -0.20 1.46 9.65 -1.59 0.06 114.38 123.20 1jeq h ARG 489 Ca 0.45 0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.45 1jeq h ARG 489 Cb 1.11 0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 29.85 1jeq h ARG 489 CO -0.16 -0.65 -0.27 1.25 2.80 0.00 0.00 179.97 182.94 1jeq h LEU 490 N -1.18 -0.86 -0.33 3.80 5.85 -0.44 -0.74 115.31 121.42 1jeq h LEU 490 Ca -0.10 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1jeq h LEU 490 Cb 0.77 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1jeq h LEU 490 CO 0.17 -0.31 0.11 -0.26 -0.34 0.00 0.00 178.44 177.81 1jeq h PHE 491 N -0.31 0.19 -0.12 1.25 0.05 0.52 0.30 116.94 118.82 1jeq h PHE 491 Ca 0.12 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.97 1jeq h PHE 491 Cb 0.49 -0.04 -0.06 0.00 2.00 0.00 0.00 35.95 38.34 1jeq h PHE 491 CO -0.40 0.08 -0.38 0.37 -0.18 0.00 0.00 178.31 177.79 1jeq h GLN 492 N 0.24 -0.45 0.32 1.51 4.15 -0.38 0.79 115.11 121.30 1jeq h GLN 492 Ca 0.15 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1jeq h GLN 492 Cb 0.13 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1jeq h GLN 492 CO -0.16 -0.30 -0.41 0.00 -1.93 0.00 0.00 178.83 176.03 1jeq h LEU 494 N -0.78 -0.49 0.11 0.00 3.38 -0.01 0.50 115.31 118.03 1jeq h LEU 494 Ca -0.02 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jeq h LEU 494 Cb 0.72 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1jeq h LEU 494 CO -0.12 -0.23 -0.05 0.25 0.09 0.00 0.00 178.44 178.38 1jeq h LEU 495 N 0.06 -0.12 -2.16 1.67 5.85 -0.32 -1.46 115.31 118.82 1jeq h LEU 495 Ca 0.44 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1jeq h LEU 495 Cb 0.77 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1jeq h LEU 495 CO -0.76 0.07 0.25 -0.74 -0.34 0.00 0.00 178.44 176.91 1jeq h HIS 496 N -0.31 0.00 0.01 1.25 2.76 0.12 0.20 115.15 119.18 1jeq h HIS 496 Ca -0.01 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.91 1jeq h HIS 496 Cb 0.26 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1jeq h HIS 496 CO -0.02 0.00 -1.30 -0.09 -1.30 0.00 0.00 177.93 175.23 1jeq h ARG 497 N 0.00 0.03 -0.29 5.26 9.65 -0.52 0.67 114.38 129.18 1jeq h ARG 497 Ca 0.11 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.80 1jeq h ARG 497 Cb 0.60 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1jeq h ARG 497 CO -0.00 0.84 -0.41 0.00 2.80 0.00 0.00 179.97 183.20 1jeq h ALA 498 N 0.95 0.75 0.01 2.80 0.00 0.37 -2.71 119.26 121.42 1jeq h ALA 498 Ca -0.13 -0.45 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 1jeq h ALA 498 Cb 1.88 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1jeq h ALA 498 CO 0.12 0.66 -1.89 1.28 0.00 0.00 0.00 179.25 179.42 1jeq n LEU 499 N -4.03 0.80 -3.23 0.00 4.77 -0.29 -4.57 117.00 110.45 1jeq n LEU 499 Ca -0.02 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 56.01 1jeq n LEU 499 Cb 0.53 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 1jeq n LEU 499 CO 0.46 0.45 -0.05 1.41 -1.33 0.00 0.00 177.39 178.33 1jeq n HIS 500 N -3.00 2.23 -0.35 -1.77 8.25 0.23 -4.94 115.22 115.86 1jeq n HIS 500 Ca -0.22 -3.93 0.23 0.00 -0.26 0.00 0.00 57.72 53.55 1jeq n HIS 500 Cb 1.08 -0.47 0.48 0.00 1.12 0.00 0.00 29.99 32.19 1jeq n HIS 500 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jeq h PRO 501 N 3.73 0.39 0.16 -0.41 0.13 -1.65 -2.46 132.00 131.90 1jeq h PRO 501 Ca 0.14 -0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.96 1jeq h PRO 501 Cb 0.73 -0.09 0.03 0.00 0.13 0.00 0.00 31.00 31.80 1jeq h PRO 501 CO 0.69 0.26 -1.22 0.00 -0.23 0.00 0.00 178.00 177.50 1jeq h ARG 502 N 0.40 0.54 -7.01 0.86 3.08 -1.92 -3.46 114.38 106.88 1jeq h ARG 502 Ca 0.67 -0.80 -0.53 0.00 0.07 0.00 0.00 59.98 59.39 1jeq h ARG 502 Cb 1.58 0.28 0.09 0.00 0.08 0.00 0.00 29.97 32.00 1jeq h ARG 502 CO -0.43 1.37 0.56 -1.21 -1.07 0.00 0.00 179.97 179.18 1jeq s GLU 503 N -2.79 3.59 0.63 0.04 2.02 -0.93 -5.00 118.70 116.26 1jeq s GLU 503 Ca -0.10 2.04 -0.15 0.00 0.02 0.00 0.00 54.97 56.78 1jeq s GLU 503 Cb 0.04 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1jeq s GLU 503 CO 0.92 -0.77 1.07 -1.25 0.02 0.00 0.00 175.26 175.25 1jeq s PRO 504 N -2.66 3.11 0.16 0.39 0.04 -1.26 -4.94 135.00 129.84 1jeq s PRO 504 Ca 0.65 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 62.55 1jeq s PRO 504 Cb -0.35 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.03 1jeq s PRO 504 CO 0.43 -0.98 1.32 1.28 0.04 0.00 0.00 177.00 179.09 1jeq n LEU 505 N -2.35 2.12 -4.71 -3.56 4.77 -1.26 -4.95 117.00 107.07 1jeq n LEU 505 Ca 0.09 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.90 1jeq n LEU 505 Cb 0.53 -1.29 0.14 0.00 -2.33 0.00 0.00 43.42 40.47 1jeq n LEU 505 CO 0.49 -0.92 0.66 -2.16 -1.33 0.00 0.00 177.39 174.14 1jeq s PRO 506 N 0.00 1.28 0.59 3.23 0.04 -1.26 -5.04 135.00 133.84 1jeq s PRO 506 Ca 0.76 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1jeq s PRO 506 Cb -0.81 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1jeq s PRO 506 CO 0.48 -2.27 1.04 -1.25 0.04 0.00 0.00 177.00 175.04 1jeq s PRO 507 N -4.85 3.45 0.51 0.56 0.04 -1.26 -4.97 135.00 128.48 1jeq s PRO 507 Ca 0.64 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 1jeq s PRO 507 Cb -0.19 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1jeq s PRO 507 CO 0.57 -0.69 1.04 -0.89 0.04 0.00 0.00 177.00 177.07 1jeq n ILE 508 N -2.08 3.06 -2.68 0.56 5.41 -1.26 -4.90 119.36 117.47 1jeq n ILE 508 Ca 0.08 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.92 1jeq n ILE 508 Cb 0.53 -1.23 -0.04 0.00 -0.71 0.00 0.00 39.64 38.19 1jeq n ILE 508 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1jeq s GLN 509 N -2.41 4.65 0.22 0.38 -0.21 -1.26 -4.96 119.66 116.07 1jeq s GLN 509 Ca 0.69 1.50 -0.12 0.00 0.02 0.00 0.00 55.36 57.44 1jeq s GLN 509 Cb -0.48 -3.37 0.28 0.00 1.00 0.00 0.00 33.01 30.44 1jeq s GLN 509 CO 0.52 0.14 1.63 1.96 -2.12 0.00 0.00 175.29 177.42 1jeq h GLN 510 N 5.74 0.03 -0.06 2.91 1.08 -1.96 0.13 115.11 122.98 1jeq h GLN 510 Ca -0.43 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1jeq h GLN 510 Cb 1.21 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1jeq h GLN 510 CO 0.73 0.02 0.17 1.12 -0.95 0.00 0.00 178.83 179.92 1jeq h HIS 511 N 0.03 0.00 0.09 2.96 2.07 -1.93 0.48 115.15 118.85 1jeq h HIS 511 Ca 0.32 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.60 1jeq h HIS 511 Cb 0.51 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.52 1jeq h HIS 511 CO -0.48 0.00 -1.01 0.82 -3.07 0.00 0.00 177.93 174.19 1jeq h ILE 512 N 0.00 1.36 -0.50 6.12 2.04 -1.02 -2.67 117.51 122.84 1jeq h ILE 512 Ca 0.03 -2.37 -0.09 0.00 1.00 0.00 0.00 64.86 63.43 1jeq h ILE 512 Cb 0.37 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 1jeq h ILE 512 CO -0.00 0.71 -0.05 -0.50 0.00 0.00 0.00 178.15 178.30 1jeq h TRP 513 N 0.08 0.96 -0.14 1.37 -0.00 -0.37 -2.79 115.95 115.06 1jeq h TRP 513 Ca -0.15 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.89 58.53 1jeq h TRP 513 Cb 1.72 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 30.61 1jeq h TRP 513 CO 0.14 0.90 -0.10 -0.91 -0.00 0.00 0.00 178.44 178.46 1jeq h ASN 514 N 0.80 0.19 1.66 -3.49 2.35 -0.25 -2.63 115.58 114.21 1jeq h ASN 514 Ca 0.14 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1jeq h ASN 514 Cb 0.56 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1jeq h ASN 514 CO 0.03 0.33 -0.34 0.00 -1.65 0.00 0.00 177.43 175.79 1jeq h MET 515 N 0.20 0.00 -0.00 0.81 -0.00 -1.22 -3.21 114.93 111.51 1jeq h MET 515 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1jeq h MET 515 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1jeq h MET 515 CO 0.02 0.11 -0.32 1.28 -0.00 0.00 0.00 176.91 178.00 1jeq n LEU 516 N -3.04 0.54 -4.95 -0.10 4.77 -1.02 -4.85 117.00 108.37 1jeq n LEU 516 Ca 0.02 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1jeq n LEU 516 Cb 0.59 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1jeq n LEU 516 CO 0.37 0.12 -0.05 0.20 -1.33 0.00 0.00 177.39 176.70 1jeq s ASN 517 N -2.81 6.34 0.91 -1.43 0.01 -1.07 -5.11 114.94 111.79 1jeq s ASN 517 Ca 0.17 0.22 -0.13 0.00 -0.71 0.00 0.00 52.86 52.41 1jeq s ASN 517 Cb 0.18 -1.93 0.14 0.00 0.41 0.00 0.00 41.25 40.05 1jeq s ASN 517 CO 0.60 -0.01 1.15 -2.16 -1.51 0.00 0.00 177.10 175.17 1jeq s PRO 518 N -3.44 1.14 1.00 -0.60 0.04 -1.26 -4.78 135.00 127.10 1jeq s PRO 518 Ca 0.36 0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 1jeq s PRO 518 Cb -0.11 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1jeq s PRO 518 CO 0.29 -2.18 0.16 -2.30 0.04 0.00 0.00 177.00 173.01 1jeq n PRO 519 N -3.74 -0.57 0.04 0.56 -0.02 -1.26 -4.88 135.00 125.13 1jeq n PRO 519 Ca 0.07 -0.13 -0.08 0.00 -2.02 0.00 0.00 63.50 61.34 1jeq n PRO 519 Cb 0.59 -1.73 0.07 0.00 -0.02 0.00 0.00 33.50 32.42 1jeq n PRO 519 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jeq h ALA 520 N -1.62 0.72 -0.08 3.55 0.00 -1.95 -3.28 119.26 116.60 1jeq h ALA 520 Ca -0.46 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 53.93 1jeq h ALA 520 Cb 1.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1jeq h ALA 520 CO 0.34 0.72 -0.54 0.93 0.00 0.00 0.00 179.25 180.69 1jeq h GLU 521 N 0.31 -0.60 -0.81 0.00 5.08 -1.96 -1.47 114.58 115.12 1jeq h GLU 521 Ca -0.01 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1jeq h GLU 521 Cb 1.15 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 1jeq h GLU 521 CO 0.11 -0.40 -0.21 0.28 -1.00 0.00 0.00 179.01 177.78 1jeq h VAL 522 N -0.62 0.18 -0.62 3.13 2.07 -1.86 0.39 116.25 118.92 1jeq h VAL 522 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jeq h VAL 522 Cb 0.70 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1jeq h VAL 522 CO -0.41 0.00 0.38 0.74 0.02 0.00 0.00 177.57 178.31 1jeq h THR 523 N -0.01 1.07 0.09 2.57 2.02 -1.48 -1.01 112.91 116.16 1jeq h THR 523 Ca 0.38 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1jeq h THR 523 Cb 0.59 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1jeq h THR 523 CO -0.83 0.14 -0.04 0.74 0.37 0.00 0.00 175.52 175.89 1jeq h THR 524 N 0.75 0.00 -0.63 3.16 2.02 0.64 -2.89 112.91 115.97 1jeq h THR 524 Ca 0.25 -0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.61 1jeq h THR 524 Cb 0.02 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 1jeq h THR 524 CO -0.10 0.00 0.79 0.11 0.37 0.00 0.00 175.52 176.69 1jeq h LYS 525 N -0.12 0.00 0.01 6.66 1.57 -0.72 -1.79 116.57 122.18 1jeq h LYS 525 Ca -0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 1jeq h LYS 525 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.42 1jeq h LYS 525 CO 0.02 0.00 -1.03 0.66 -0.57 0.00 0.00 179.45 178.53 1jeq h SER 526 N 0.00 0.80 0.00 0.86 4.64 -0.98 -3.40 113.55 115.46 1jeq h SER 526 Ca 0.30 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1jeq h SER 526 Cb 1.88 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1jeq h SER 526 CO -0.00 1.44 0.00 0.00 -0.87 0.00 0.00 176.83 177.40 1jeq n GLN 527 N -3.82 0.00 -0.05 4.77 1.13 -0.67 -0.69 117.38 118.05 1jeq n GLN 527 Ca -0.10 0.23 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 1jeq n GLN 527 Cb 0.88 -0.45 -0.05 0.00 0.11 0.00 0.00 30.24 30.73 1jeq n GLN 527 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1jeq h ILE 528 N 0.00 0.18 -0.40 5.09 2.04 -1.81 -0.40 117.51 122.21 1jeq h ILE 528 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1jeq h ILE 528 Cb 0.00 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.16 1jeq h ILE 528 CO 0.00 0.00 -0.38 -0.65 0.00 0.00 0.00 178.15 177.12 1jeq h PRO 529 N -0.39 -0.28 -0.66 2.37 0.11 -1.66 -0.74 132.00 130.74 1jeq h PRO 529 Ca 0.11 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.38 1jeq h PRO 529 Cb 0.59 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 31.66 1jeq h PRO 529 CO -0.46 -0.19 0.10 -0.07 -0.21 0.00 0.00 178.00 177.17 1jeq h LEU 530 N -0.29 -0.10 -0.22 2.35 3.38 -0.03 -1.08 115.31 119.32 1jeq h LEU 530 Ca 0.16 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.32 1jeq h LEU 530 Cb 0.57 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1jeq h LEU 530 CO -0.56 -0.05 -0.24 0.77 0.09 0.00 0.00 178.44 178.45 1jeq h SER 531 N 0.21 -0.75 -0.66 -0.43 4.64 0.37 0.44 113.55 117.36 1jeq h SER 531 Ca 0.36 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.85 1jeq h SER 531 Cb 0.58 0.35 -0.05 0.00 -0.31 0.00 0.00 62.40 62.97 1jeq h SER 531 CO -0.49 -0.27 0.40 0.11 -0.87 0.00 0.00 176.83 175.70 1jeq h LYS 532 N -0.25 0.74 0.00 4.77 1.57 -0.64 -0.07 116.57 122.69 1jeq h LYS 532 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1jeq h LYS 532 Cb 0.45 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1jeq h LYS 532 CO -0.37 0.49 -0.13 0.82 -0.57 0.00 0.00 179.45 179.69 1jeq h ILE 533 N 0.76 0.85 0.60 1.86 2.04 0.12 0.43 117.51 124.17 1jeq h ILE 533 Ca 0.28 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1jeq h ILE 533 Cb 0.09 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1jeq h ILE 533 CO -0.14 0.13 -0.29 0.50 0.00 0.00 0.00 178.15 178.35 1jeq h LYS 534 N 0.00 -0.78 0.53 2.37 3.64 0.17 -2.68 116.57 119.83 1jeq h LYS 534 Ca -0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1jeq h LYS 534 Cb 0.27 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1jeq h LYS 534 CO 0.02 -0.47 -0.41 1.79 -2.27 0.00 0.00 179.45 178.10 1jeq h THR 535 N -1.10 0.00 0.00 1.00 1.35 -1.03 -2.88 112.91 110.25 1jeq h THR 535 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1jeq h THR 535 Cb 0.67 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1jeq h THR 535 CO 0.14 0.00 0.38 -0.07 -0.25 0.00 0.00 175.52 175.71 1jeq h LEU 536 N -0.91 0.00 -7.50 3.87 3.38 -1.03 -3.33 115.31 109.79 1jeq h LEU 536 Ca -0.07 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.25 1jeq h LEU 536 Cb 0.76 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.10 1jeq h LEU 536 CO 0.01 0.00 -0.66 -0.36 0.09 0.00 0.00 178.44 177.52 1jeq s PHE 537 N -4.05 3.40 0.51 1.13 0.40 -1.01 -4.91 117.98 113.46 1jeq s PHE 537 Ca -0.03 -3.10 -0.23 0.00 -0.60 0.00 0.00 56.93 52.97 1jeq s PHE 537 Cb 0.08 -2.87 -0.06 0.00 0.51 0.00 0.00 43.02 40.68 1jeq s PHE 537 CO 0.25 -0.82 1.36 -1.25 0.70 0.00 0.00 175.22 175.45 1jeq s PRO 538 N 0.16 3.33 -0.19 0.24 0.04 -1.25 -4.84 135.00 132.48 1jeq s PRO 538 Ca 0.15 2.24 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 1jeq s PRO 538 Cb -0.23 -2.37 0.09 0.00 0.04 0.00 0.00 34.50 32.03 1jeq s PRO 538 CO -0.03 -1.04 0.39 -0.51 0.04 0.00 0.00 177.00 175.85 1jeq s LEU 539 N -3.28 -0.59 -0.03 -3.56 1.43 -1.26 -5.15 118.68 106.24 1jeq s LEU 539 Ca 0.68 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1jeq s LEU 539 Cb -0.40 1.23 0.01 0.00 0.03 0.00 0.00 46.19 47.06 1jeq s LEU 539 CO 0.49 -0.24 -0.04 -0.51 0.23 0.00 0.00 176.35 176.28 1jeq s ILE 540 N 2.58 0.45 0.24 -0.59 2.07 -1.26 -5.13 121.20 119.56 1jeq s ILE 540 Ca -0.00 -0.13 -0.30 0.00 -1.41 0.00 0.00 60.65 58.82 1jeq s ILE 540 Cb -0.12 -0.45 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 1jeq s ILE 540 CO -0.12 0.18 1.27 -1.61 -1.91 0.00 0.00 174.94 172.74 1jeq s GLU 541 N 0.59 4.43 0.00 3.50 2.02 -1.26 -5.37 118.70 122.62 1jeq s GLU 541 Ca -0.07 2.04 0.05 0.00 0.02 0.00 0.00 54.97 57.00 1jeq s GLU 541 Cb -0.11 -3.17 0.29 0.00 0.10 0.00 0.00 34.13 31.24 1jeq s GLU 541 CO -0.00 -0.15 0.76 0.00 0.02 0.00 0.00 175.26 175.89