#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8u n SER 7 N 0.00 2.75 -0.33 1.96 2.88 -1.26 -4.89 113.62 114.74 3i8u n SER 7 Ca 0.00 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.83 3i8u n SER 7 Cb 0.00 -1.46 0.16 0.00 -0.75 0.00 0.00 64.21 62.16 3i8u n SER 7 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i8u n LEU 8 N 1.43 1.45 0.26 2.46 4.77 -1.26 -4.34 117.00 121.76 3i8u n LEU 8 Ca 0.08 -0.49 0.09 0.00 -0.03 0.00 0.00 56.01 55.66 3i8u n LEU 8 Cb 0.34 -0.06 0.67 0.00 -2.33 0.00 0.00 43.42 42.03 3i8u n LEU 8 CO 0.62 0.28 1.00 0.71 -1.33 0.00 0.00 177.39 178.67 3i8u h THR 9 N 1.60 0.86 -0.70 -5.08 1.35 -2.05 -1.87 112.91 107.03 3i8u h THR 9 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3i8u h THR 9 Cb 0.62 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3i8u h THR 9 CO 0.00 0.09 0.00 0.59 -0.25 0.00 0.00 175.52 175.95 3i8u n ASN 10 N -4.14 3.91 -4.72 5.36 5.03 -1.26 -4.96 115.26 114.49 3i8u n ASN 10 Ca -0.03 -2.06 -0.42 0.00 0.87 0.00 0.00 54.58 52.94 3i8u n ASN 10 Cb 0.17 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.41 3i8u n ASN 10 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3i8u s SER 11 N -0.98 6.87 0.20 6.41 0.15 -0.70 -4.93 113.70 120.71 3i8u s SER 11 Ca 0.48 2.29 0.10 0.00 0.70 0.00 0.00 55.95 59.51 3i8u s SER 11 Cb 0.26 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3i8u s SER 11 CO 0.31 -0.62 1.41 0.28 1.20 0.00 0.00 173.24 175.82 3i8u h SER 12 N 6.69 0.00 0.26 5.45 0.02 -1.92 -3.30 113.55 120.74 3i8u h SER 12 Ca -0.42 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.23 3i8u h SER 12 Cb 1.21 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.78 3i8u h SER 12 CO 0.85 0.80 -1.26 -0.07 -1.14 0.00 0.00 176.83 176.00 3i8u h LEU 13 N 0.00 0.77 -0.66 5.07 3.38 -1.97 -3.39 115.31 118.51 3i8u h LEU 13 Ca -0.01 -0.74 0.13 0.00 0.09 0.00 0.00 57.88 57.35 3i8u h LEU 13 Cb 1.51 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 3i8u h LEU 13 CO 0.10 1.55 -0.21 -0.03 0.09 0.00 0.00 178.44 179.94 3i8u h MET 14 N 0.22 -0.04 0.00 1.13 4.05 -1.90 -0.70 114.93 117.68 3i8u h MET 14 Ca -0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3i8u h MET 14 Cb 1.94 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 3i8u h MET 14 CO 0.23 -0.03 0.00 -1.35 0.23 0.00 0.00 176.91 176.00 3i8u h PRO 15 N -0.04 0.00 -0.02 0.39 0.11 -1.77 -2.24 132.00 128.42 3i8u h PRO 15 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3i8u h PRO 15 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3i8u h PRO 15 CO -0.70 0.00 -0.02 0.25 -0.21 0.00 0.00 178.00 177.32 3i8u n THR 16 N -3.07 0.00 -3.03 -1.15 -2.24 -0.28 -5.00 114.28 99.52 3i8u n THR 16 Ca -0.03 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 3i8u n THR 16 Cb 0.07 1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3i8u n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i8u s LEU 17 N -1.60 3.91 0.15 3.22 1.43 -0.84 -5.03 118.68 119.91 3i8u s LEU 17 Ca 0.22 0.98 -0.33 0.00 -1.03 0.00 0.00 54.13 53.96 3i8u s LEU 17 Cb 0.16 -3.83 -0.17 0.00 0.03 0.00 0.00 46.19 42.37 3i8u s LEU 17 CO 0.25 -0.33 1.01 -3.20 0.23 0.00 0.00 176.35 174.31 3i8u n ASN 18 N -1.19 0.54 -0.28 2.29 5.15 -1.26 -4.68 115.26 115.83 3i8u n ASN 18 Ca 0.01 1.14 0.15 0.00 -0.60 0.00 0.00 54.58 55.29 3i8u n ASN 18 Cb 0.54 -1.10 0.42 0.00 -0.53 0.00 0.00 39.78 39.11 3i8u n ASN 18 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i8u h PRO 19 N 2.77 0.57 -0.58 1.20 0.11 -1.96 -0.50 132.00 133.61 3i8u h PRO 19 Ca -0.42 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3i8u h PRO 19 Cb 1.38 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3i8u h PRO 19 CO 0.66 0.38 0.10 1.98 -0.21 0.00 0.00 178.00 180.91 3i8u h MET 20 N 0.59 0.96 -0.71 1.05 4.05 -1.98 -1.51 114.93 117.38 3i8u h MET 20 Ca 0.49 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 3i8u h MET 20 Cb 0.96 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 3i8u h MET 20 CO -0.23 0.91 0.36 0.82 0.23 0.00 0.00 176.91 179.00 3i8u h ILE 21 N 0.86 1.23 -0.38 1.77 2.04 -1.60 -1.18 117.51 120.25 3i8u h ILE 21 Ca 0.18 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3i8u h ILE 21 Cb 0.41 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3i8u h ILE 21 CO 0.01 0.26 0.17 1.56 0.00 0.00 0.00 178.15 180.15 3i8u h GLN 22 N 0.99 0.34 -0.55 2.37 4.20 -0.89 0.08 115.11 121.65 3i8u h GLN 22 Ca 0.25 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 3i8u h GLN 22 Cb 0.08 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3i8u h GLN 22 CO -0.04 0.23 0.00 1.96 -0.67 0.00 0.00 178.83 180.31 3i8u h GLN 23 N 0.35 0.94 -0.41 1.46 1.08 -1.05 -1.53 115.11 115.96 3i8u h GLN 23 Ca 0.17 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 3i8u h GLN 23 Cb 0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3i8u h GLN 23 CO -0.14 0.93 0.02 1.25 -0.95 0.00 0.00 178.83 179.95 3i8u h LEU 24 N 0.87 0.69 -0.76 1.46 5.85 -0.89 -1.16 115.31 121.37 3i8u h LEU 24 Ca 0.16 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3i8u h LEU 24 Cb 0.51 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3i8u h LEU 24 CO 0.02 0.81 0.49 0.00 -0.34 0.00 0.00 178.44 179.43 3i8u h ALA 25 N 0.90 0.97 -0.56 1.25 0.00 -0.83 0.01 119.26 121.00 3i8u h ALA 25 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i8u h ALA 25 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i8u h ALA 25 CO 0.02 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 180.83 3i8u h LEU 26 N 0.99 0.97 -0.67 0.00 5.85 -1.15 -0.83 115.31 120.47 3i8u h LEU 26 Ca 0.29 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3i8u h LEU 26 Cb -0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3i8u h LEU 26 CO -0.08 1.04 0.26 0.00 -0.34 0.00 0.00 178.44 179.33 3i8u h ALA 27 N 1.05 0.87 -0.12 1.25 0.00 -0.64 0.02 119.26 121.71 3i8u h ALA 27 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3i8u h ALA 27 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i8u h ALA 27 CO 0.03 0.50 -0.08 0.82 0.00 0.00 0.00 179.25 180.53 3i8u h ILE 28 N 0.96 1.33 -1.00 0.00 2.04 -0.81 -1.61 117.51 118.41 3i8u h ILE 28 Ca 0.22 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 65.01 3i8u h ILE 28 Cb 0.22 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 3i8u h ILE 28 CO -0.02 0.33 0.64 0.00 0.00 0.00 0.00 178.15 179.11 3i8u h ALA 29 N 0.63 1.44 -0.28 1.87 0.00 -1.06 -1.73 119.26 120.12 3i8u h ALA 29 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3i8u h ALA 29 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i8u h ALA 29 CO 0.02 0.37 -0.21 0.00 0.00 0.00 0.00 179.25 179.43 3i8u h ALA 30 N 1.48 1.12 -0.32 0.00 0.00 -0.83 -0.21 119.26 120.50 3i8u h ALA 30 Ca 0.46 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3i8u h ALA 30 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i8u h ALA 30 CO -0.21 0.55 -0.32 0.66 0.00 0.00 0.00 179.25 179.93 3i8u h SER 31 N 0.46 0.71 1.15 0.00 4.64 -0.48 -3.23 113.55 116.80 3i8u h SER 31 Ca 0.07 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 3i8u h SER 31 Cb 0.62 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3i8u h SER 31 CO 0.04 0.98 -0.89 -0.50 -0.87 0.00 0.00 176.83 175.59 3i8u h TRP 32 N 0.58 0.00 -0.87 4.77 6.55 -1.02 -3.42 115.95 122.55 3i8u h TRP 32 Ca 0.07 0.00 0.15 0.00 0.95 0.00 0.00 58.89 60.05 3i8u h TRP 32 Cb 0.83 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.06 3i8u h TRP 32 CO 0.04 0.28 0.56 0.37 -1.05 0.00 0.00 178.44 178.64 3i8u h GLN 33 N 0.00 0.62 -0.46 0.49 -0.00 -1.06 -1.94 115.11 112.77 3i8u h GLN 33 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 3i8u h GLN 33 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.60 3i8u h GLN 33 CO 0.03 0.41 0.00 -1.13 0.00 0.00 0.00 178.83 178.14 3i8u n SER 34 N -4.55 3.25 -4.76 -0.69 3.41 -1.26 -4.97 113.62 104.06 3i8u n SER 34 Ca 0.17 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.52 3i8u n SER 34 Cb 0.48 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 64.25 3i8u n SER 34 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i8u s LEU 35 N -1.04 2.33 -1.29 1.04 1.43 -0.73 -4.91 118.68 115.51 3i8u s LEU 35 Ca 0.33 1.31 -0.16 0.00 -1.03 0.00 0.00 54.13 54.58 3i8u s LEU 35 Cb 0.17 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 3i8u s LEU 35 CO 0.23 -2.37 2.10 -0.81 0.23 0.00 0.00 176.35 175.74 3i8u n PRO 36 N -3.69 2.56 -2.60 1.29 -0.04 -1.26 -4.94 135.00 126.31 3i8u n PRO 36 Ca 0.07 -2.50 -0.37 0.00 -0.04 0.00 0.00 63.50 60.65 3i8u n PRO 36 Cb 0.56 -3.25 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 3i8u n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i8u s LEU 37 N 2.47 4.29 0.10 1.53 1.43 -1.26 -4.46 118.68 122.78 3i8u s LEU 37 Ca 0.51 2.02 0.03 0.00 -1.03 0.00 0.00 54.13 55.66 3i8u s LEU 37 Cb 0.13 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 3i8u s LEU 37 CO -0.02 -0.29 -0.09 -1.59 0.23 0.00 0.00 176.35 174.60 3i8u s LYS 38 N -2.13 0.86 0.55 1.70 -2.85 -0.20 -4.96 119.74 112.70 3i8u s LYS 38 Ca 0.53 -1.25 -0.21 0.00 -1.00 0.00 0.00 55.97 54.04 3i8u s LYS 38 Cb -0.23 -0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 35.07 3i8u s LYS 38 CO 0.29 0.04 1.27 -2.14 0.10 0.00 0.00 175.35 174.91 3i8u s PRO 39 N -3.25 3.20 -0.21 1.78 0.02 -1.26 -0.62 135.00 134.65 3i8u s PRO 39 Ca 0.09 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 3i8u s PRO 39 Cb 0.00 -2.18 0.01 0.00 0.02 0.00 0.00 34.50 32.36 3i8u s PRO 39 CO -0.02 -1.08 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.00 3i8u s TYR 40 N -1.44 2.93 -0.35 6.54 5.04 -0.73 -4.58 117.35 124.75 3i8u s TYR 40 Ca 0.72 -1.40 -0.28 0.00 -2.44 0.00 0.00 57.07 53.67 3i8u s TYR 40 Cb -0.35 -2.02 0.02 0.00 0.35 0.00 0.00 41.96 39.96 3i8u s TYR 40 CO 0.40 -0.70 1.03 -1.14 -1.34 0.00 0.00 175.55 173.80 3i8u s GLN 41 N 1.36 3.97 0.78 4.97 0.74 -1.26 -4.59 119.66 125.63 3i8u s GLN 41 Ca 0.04 0.88 -0.11 0.00 0.05 0.00 0.00 55.36 56.21 3i8u s GLN 41 Cb -0.15 -3.77 0.06 0.00 1.10 0.00 0.00 33.01 30.25 3i8u s GLN 41 CO -0.07 -0.96 1.10 -0.51 -0.55 0.00 0.00 175.29 174.29 3i8u s LEU 42 N 3.67 2.66 0.24 3.68 1.43 -1.26 -4.89 118.68 124.21 3i8u s LEU 42 Ca 0.43 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 3i8u s LEU 42 Cb -0.12 -3.95 -0.14 0.00 0.03 0.00 0.00 46.19 42.02 3i8u s LEU 42 CO 0.18 -1.88 1.16 -2.65 0.23 0.00 0.00 176.35 173.39 3i8u n PRO 43 N -3.37 1.48 -2.06 1.29 -0.02 -1.26 -0.86 135.00 130.19 3i8u n PRO 43 Ca 0.07 0.52 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 3i8u n PRO 43 Cb 0.56 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3i8u n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i8u n GLU 44 N 1.32 -1.71 -3.97 -0.52 1.02 -1.26 -2.28 120.64 113.25 3i8u n GLU 44 Ca 0.11 0.90 -0.32 0.00 -0.02 0.00 0.00 57.16 57.84 3i8u n GLU 44 Cb 0.30 -5.41 -0.00 0.00 -0.02 0.00 0.00 31.44 26.30 3i8u n GLU 44 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i8u n ASP 45 N -1.54 -4.08 -4.75 1.62 8.00 -0.04 -4.86 116.55 110.91 3i8u n ASP 45 Ca -0.19 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3i8u n ASP 45 Cb 0.62 -3.30 -0.01 0.00 -0.02 0.00 0.00 41.12 38.41 3i8u n ASP 45 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i8u n LEU 46 N -4.42 4.35 0.00 0.64 7.94 -0.96 -4.89 117.00 119.66 3i8u n LEU 46 Ca 0.05 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3i8u n LEU 46 Cb 0.51 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.87 3i8u n LEU 46 CO 0.77 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.76 3i8u n GLY 47 N 1.82 1.10 3.79 -3.96 0.00 -1.26 -4.67 105.19 102.02 3i8u n GLY 47 Ca 0.07 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i8u n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i8u s TYR 48 N 0.73 3.82 -0.05 1.61 5.04 -1.26 -2.68 117.35 124.56 3i8u s TYR 48 Ca 0.00 1.55 -0.13 0.00 -2.44 0.00 0.00 57.07 56.05 3i8u s TYR 48 Cb 0.00 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.62 3i8u s TYR 48 CO 0.00 0.45 0.30 0.54 -1.34 0.00 0.00 175.55 175.50 3i8u s VAL 49 N -1.28 0.04 0.02 3.14 0.11 -0.28 -5.01 120.40 117.15 3i8u s VAL 49 Ca 0.38 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3i8u s VAL 49 Cb -0.21 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3i8u s VAL 49 CO 0.24 -0.18 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.09 3i8u s GLU 50 N -0.83 0.31 0.01 1.54 2.12 -1.26 -0.47 118.70 120.12 3i8u s GLU 50 Ca -0.09 -0.49 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 3i8u s GLU 50 Cb -0.04 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.35 3i8u s GLU 50 CO 0.03 -0.01 0.50 0.20 -0.54 0.00 0.00 175.26 175.44 3i8u s GLY 51 N -1.09 -0.39 -0.04 -1.50 0.00 -0.33 -5.00 107.32 98.97 3i8u s GLY 51 Ca -0.10 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.20 3i8u s GLY 51 CO -0.00 0.39 0.24 -1.60 0.00 0.00 0.00 173.10 172.12 3i8u s ARG 52 N -1.92 0.46 0.00 2.90 3.52 -0.99 -0.99 118.95 121.93 3i8u s ARG 52 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3i8u s ARG 52 Cb -0.01 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 3i8u s ARG 52 CO 0.02 -0.10 0.00 1.28 -0.81 0.00 0.00 175.30 175.69 3i8u n LEU 53 N 2.04 0.00 -0.16 -0.88 4.77 -1.17 -4.85 117.00 116.75 3i8u n LEU 53 Ca -0.18 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.91 3i8u n LEU 53 Cb 0.57 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.73 3i8u n LEU 53 CO 0.20 0.00 0.26 -0.62 -1.33 0.00 0.00 177.39 175.90 3i8u n GLU 54 N 0.00 0.44 0.00 3.23 -0.58 -1.26 -4.94 120.64 117.52 3i8u n GLU 54 Ca 0.00 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 3i8u n GLU 54 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3i8u n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8u n GLY 55 N 1.46 2.81 3.86 0.62 0.00 -1.26 -5.13 105.19 107.54 3i8u n GLY 55 Ca 0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3i8u n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8u s GLU 56 N 3.58 3.73 0.16 1.61 0.41 -1.26 -5.02 118.70 121.91 3i8u s GLU 56 Ca 0.00 0.78 -0.24 0.00 -0.41 0.00 0.00 54.97 55.10 3i8u s GLU 56 Cb 0.00 -2.13 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 3i8u s GLU 56 CO 0.00 -0.43 0.75 -1.59 -0.49 0.00 0.00 175.26 173.50 3i8u s LYS 57 N -4.72 4.51 -0.19 1.61 -2.85 -1.26 -4.56 119.74 112.28 3i8u s LYS 57 Ca 0.56 1.09 -0.07 0.00 -1.00 0.00 0.00 55.97 56.55 3i8u s LYS 57 Cb -0.11 -3.23 -0.04 0.00 -2.06 0.00 0.00 37.83 32.39 3i8u s LYS 57 CO 0.45 0.57 0.06 -1.17 0.10 0.00 0.00 175.35 175.35 3i8u s LEU 58 N -1.20 3.72 -0.09 2.77 2.96 -0.16 -0.27 118.68 126.42 3i8u s LEU 58 Ca 0.35 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 3i8u s LEU 58 Cb -0.22 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 3i8u s LEU 58 CO 0.25 0.14 -0.24 0.54 -1.32 0.00 0.00 176.35 175.73 3i8u s VAL 59 N 0.54 2.12 -0.03 1.68 0.11 -0.14 -1.19 120.40 123.49 3i8u s VAL 59 Ca 0.03 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 3i8u s VAL 59 Cb -0.13 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.93 3i8u s VAL 59 CO 0.01 0.56 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.63 3i8u s ILE 60 N 0.16 0.72 -0.12 7.04 1.01 0.38 -1.12 121.20 129.28 3i8u s ILE 60 Ca -0.13 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3i8u s ILE 60 Cb -0.16 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3i8u s ILE 60 CO 0.07 0.24 -0.17 -1.61 0.00 0.00 0.00 174.94 173.47 3i8u s GLU 61 N 0.37 3.24 -0.08 2.79 2.02 0.28 -1.12 118.70 126.19 3i8u s GLU 61 Ca -0.06 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3i8u s GLU 61 Cb -0.10 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 3i8u s GLU 61 CO 0.01 0.22 -0.17 -0.80 0.02 0.00 0.00 175.26 174.53 3i8u s ASN 62 N 0.30 3.70 -0.03 -0.19 0.01 -1.09 -1.37 114.94 116.27 3i8u s ASN 62 Ca -0.13 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 51.71 3i8u s ASN 62 Cb -0.16 -1.11 -0.00 0.00 0.41 0.00 0.00 41.25 40.39 3i8u s ASN 62 CO 0.07 0.25 -0.14 -0.13 -1.51 0.00 0.00 177.10 175.63 3i8u s ARG 63 N -0.18 1.44 -0.16 -0.60 0.52 -0.04 -4.76 118.95 115.18 3i8u s ARG 63 Ca -0.01 -0.50 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3i8u s ARG 63 Cb -0.13 -1.30 0.06 0.00 0.52 0.00 0.00 34.95 34.10 3i8u s ARG 63 CO 0.03 0.22 0.38 0.00 0.02 0.00 0.00 175.30 175.95 3i8u s TYR 65 N 1.43 1.76 0.01 0.00 2.02 -0.21 -1.78 117.35 120.58 3i8u s TYR 65 Ca -0.09 -1.38 -0.14 0.00 -0.37 0.00 0.00 57.07 55.09 3i8u s TYR 65 Cb -0.09 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3i8u s TYR 65 CO -0.12 -0.45 0.29 1.14 -1.57 0.00 0.00 175.55 174.84 3i8u s GLN 66 N -3.66 0.70 0.32 -0.62 -2.07 0.21 -0.07 119.66 114.47 3i8u s GLN 66 Ca 0.29 -0.32 0.03 0.00 -1.82 0.00 0.00 55.36 53.54 3i8u s GLN 66 Cb 0.03 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 3i8u s GLN 66 CO 0.18 -0.20 0.13 0.95 -1.32 0.00 0.00 175.29 175.03 3i8u s THR 67 N -1.76 0.51 0.56 3.63 -4.23 -0.14 -1.04 115.64 113.18 3i8u s THR 67 Ca -0.11 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.65 3i8u s THR 67 Cb -0.04 -2.54 0.33 0.00 1.34 0.00 0.00 72.50 71.59 3i8u s THR 67 CO 0.01 0.00 2.18 -0.65 -0.54 0.00 0.00 174.62 175.63 3i8u h PRO 68 N 2.16 0.00 0.00 3.99 0.11 -2.00 -2.78 132.00 133.47 3i8u h PRO 68 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 3i8u h PRO 68 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3i8u h PRO 68 CO 0.56 0.00 -1.53 1.04 -0.21 0.00 0.00 178.00 177.86 3i8u n GLN 69 N -4.10 0.63 -4.03 1.05 3.00 -1.26 -4.76 117.38 107.91 3i8u n GLN 69 Ca -0.02 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 3i8u n GLN 69 Cb 0.15 -1.71 -0.15 0.00 0.00 0.00 0.00 30.24 28.53 3i8u n GLN 69 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3i8u s PHE 70 N -3.20 3.04 0.33 1.08 0.40 -1.05 -1.07 117.98 117.51 3i8u s PHE 70 Ca -0.04 -2.18 0.05 0.00 -0.60 0.00 0.00 56.93 54.16 3i8u s PHE 70 Cb 0.10 -1.85 0.70 0.00 0.51 0.00 0.00 43.02 42.48 3i8u s PHE 70 CO 0.83 -0.85 1.89 -0.09 0.70 0.00 0.00 175.22 177.70 3i8u h ARG 71 N 7.82 0.80 -2.07 0.44 2.43 -0.93 -0.34 114.38 122.53 3i8u h ARG 71 Ca -0.19 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3i8u h ARG 71 Cb 1.05 -0.18 -0.21 0.00 -0.42 0.00 0.00 29.97 30.20 3i8u h ARG 71 CO 0.45 0.53 -0.08 0.21 -1.51 0.00 0.00 179.97 179.57 3i8u s LYS 72 N -5.77 0.62 -0.29 0.20 2.20 -1.12 -4.66 119.74 110.91 3i8u s LYS 72 Ca -0.11 1.29 0.02 0.00 -0.36 0.00 0.00 55.97 56.82 3i8u s LYS 72 Cb 0.21 0.45 0.08 0.00 -1.51 0.00 0.00 37.83 37.06 3i8u s LYS 72 CO 0.79 -0.18 -0.01 -1.64 -0.36 0.00 0.00 175.35 173.95 3i8u s MET 73 N 2.20 1.63 -0.17 4.03 -1.94 0.90 -0.01 119.30 125.94 3i8u s MET 73 Ca -0.08 -1.45 0.01 0.00 -1.71 0.00 0.00 55.69 52.47 3i8u s MET 73 Cb -0.08 -2.85 0.02 0.00 2.01 0.00 0.00 34.83 33.92 3i8u s MET 73 CO -0.19 -0.77 -0.20 -1.58 -0.01 0.00 0.00 175.02 172.28 3i8u s HIS 74 N 1.15 2.76 -0.17 -0.03 5.04 0.05 -1.04 115.29 123.04 3i8u s HIS 74 Ca 0.02 -1.52 0.01 0.00 -1.54 0.00 0.00 55.06 52.02 3i8u s HIS 74 Cb -0.19 -1.90 0.01 0.00 0.04 0.00 0.00 32.58 30.54 3i8u s HIS 74 CO -0.09 -0.74 -0.18 -1.17 -2.34 0.00 0.00 174.74 170.23 3i8u s LEU 75 N 1.15 2.26 -0.06 8.88 2.96 -0.10 -1.75 118.68 132.02 3i8u s LEU 75 Ca 0.01 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3i8u s LEU 75 Cb -0.14 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3i8u s LEU 75 CO -0.09 0.02 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.04 3i8u s GLU 76 N 1.16 2.35 -0.04 1.98 2.12 0.45 -0.86 118.70 125.86 3i8u s GLU 76 Ca 0.02 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 54.62 3i8u s GLU 76 Cb -0.14 -1.97 -0.02 0.00 0.26 0.00 0.00 34.13 32.27 3i8u s GLU 76 CO -0.08 0.31 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.18 3i8u s LEU 77 N -0.02 2.06 0.02 2.70 1.43 -0.47 -1.18 118.68 123.22 3i8u s LEU 77 Ca -0.06 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3i8u s LEU 77 Cb -0.14 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 3i8u s LEU 77 CO 0.04 0.28 0.07 0.00 0.23 0.00 0.00 176.35 176.97 3i8u s ALA 78 N -0.38 -0.09 -0.02 4.21 0.00 -0.01 -0.55 121.76 124.92 3i8u s ALA 78 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3i8u s ALA 78 Cb -0.12 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3i8u s ALA 78 CO 0.01 -0.24 0.02 0.15 0.00 0.00 0.00 175.76 175.70 3i8u s LYS 79 N -1.93 0.06 -0.31 0.00 1.02 -0.28 -0.91 119.74 117.40 3i8u s LYS 79 Ca -0.11 0.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.90 3i8u s LYS 79 Cb -0.05 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.98 3i8u s LYS 79 CO -0.02 -0.12 0.17 0.08 -0.92 0.00 0.00 175.35 174.54 3i8u s VAL 80 N 0.84 4.76 0.00 3.17 1.01 0.46 -0.97 120.40 129.67 3i8u s VAL 80 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3i8u s VAL 80 Cb -0.11 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3i8u s VAL 80 CO -0.02 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3i8u n GLY 81 N 5.01 2.35 0.08 4.51 0.00 0.63 -2.70 105.19 115.07 3i8u n GLY 81 Ca -0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3i8u n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8u h LYS 82 N 0.00 0.02 0.00 1.61 1.57 -1.94 -3.43 116.57 114.41 3i8u h LYS 82 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3i8u h LYS 82 Cb 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3i8u h LYS 82 CO 0.00 0.75 -1.42 0.41 -0.57 0.00 0.00 179.45 178.62 3i8u n GLY 83 N 1.49 -0.41 3.56 3.86 0.00 -1.22 -4.96 105.19 107.51 3i8u n GLY 83 Ca -0.10 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3i8u n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8u s LEU 84 N -3.71 4.05 0.02 0.99 2.96 -1.10 -3.66 118.68 118.22 3i8u s LEU 84 Ca -0.03 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3i8u s LEU 84 Cb 0.05 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3i8u s LEU 84 CO 0.37 -0.09 -0.17 -1.81 -1.32 0.00 0.00 176.35 173.34 3i8u s ASP 85 N 1.73 3.88 -0.00 3.68 1.01 0.61 -0.40 116.67 127.17 3i8u s ASP 85 Ca 0.07 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.97 3i8u s ASP 85 Cb -0.16 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.09 3i8u s ASP 85 CO 0.10 0.28 0.00 -0.63 0.21 0.00 0.00 175.17 175.13 3i8u s ILE 86 N -0.87 0.00 -0.09 0.77 1.01 -0.09 -0.47 121.20 121.46 3i8u s ILE 86 Ca 0.14 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3i8u s ILE 86 Cb -0.11 -0.03 0.00 0.00 0.01 0.00 0.00 42.46 42.33 3i8u s ILE 86 CO 0.04 0.02 -0.22 -0.22 0.00 0.00 0.00 174.94 174.56 3i8u s LEU 87 N 0.19 2.02 -0.08 2.97 0.20 -0.14 -0.83 118.68 123.02 3i8u s LEU 87 Ca -0.02 -0.51 0.04 0.00 0.69 0.00 0.00 54.13 54.33 3i8u s LEU 87 Cb -0.02 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 3i8u s LEU 87 CO -0.01 0.15 -0.19 -2.28 -0.29 0.00 0.00 176.35 173.73 3i8u s HIS 88 N 0.33 2.06 -0.07 5.38 5.65 -0.32 -0.54 115.29 127.79 3i8u s HIS 88 Ca -0.17 -0.77 -0.04 0.00 0.25 0.00 0.00 55.06 54.34 3i8u s HIS 88 Cb -0.17 -1.41 0.03 0.00 -1.18 0.00 0.00 32.58 29.85 3i8u s HIS 88 CO 0.08 -0.31 0.17 0.00 -0.65 0.00 0.00 174.74 174.02 3i8u s VAL 90 N 0.80 0.70 -0.40 0.00 1.01 -0.71 -0.76 120.40 121.04 3i8u s VAL 90 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 3i8u s VAL 90 Cb -0.08 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.75 3i8u s VAL 90 CO -0.04 0.21 0.24 -0.04 0.00 0.00 0.00 175.10 175.47 3i8u s MET 91 N 0.02 2.70 -0.28 2.72 -1.94 -0.07 -0.77 119.30 121.68 3i8u s MET 91 Ca -0.00 -1.30 -0.26 0.00 -1.71 0.00 0.00 55.69 52.41 3i8u s MET 91 Cb -0.06 -3.76 0.01 0.00 2.01 0.00 0.00 34.83 33.03 3i8u s MET 91 CO -0.00 -0.85 0.93 -0.06 -0.01 0.00 0.00 175.02 175.02 3i8u s PHE 92 N 1.48 3.25 0.54 -0.03 0.40 0.99 -2.90 117.98 121.70 3i8u s PHE 92 Ca 0.02 1.13 -0.18 0.00 -0.60 0.00 0.00 56.93 57.30 3i8u s PHE 92 Cb -0.21 -3.31 -0.06 0.00 0.51 0.00 0.00 43.02 39.95 3i8u s PHE 92 CO 0.04 -0.56 1.06 -1.25 0.70 0.00 0.00 175.22 175.22 3i8u s PRO 93 N 3.16 3.51 -0.18 0.24 0.04 -1.26 -0.45 135.00 140.06 3i8u s PRO 93 Ca 0.39 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 3i8u s PRO 93 Cb -0.14 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3i8u s PRO 93 CO 0.11 -0.67 1.44 -1.21 0.04 0.00 0.00 177.00 176.70 3i8u s GLU 94 N -3.56 4.05 0.46 4.56 0.41 -0.23 -4.27 118.70 120.11 3i8u s GLU 94 Ca 0.67 1.68 0.19 0.00 -0.41 0.00 0.00 54.97 57.10 3i8u s GLU 94 Cb -0.18 -3.90 1.15 0.00 -1.78 0.00 0.00 34.13 29.42 3i8u s GLU 94 CO 0.28 -0.97 1.93 -1.35 -0.49 0.00 0.00 175.26 174.66 3i8u h PRO 95 N 9.34 0.29 -1.19 0.39 0.11 -1.89 -1.68 132.00 137.36 3i8u h PRO 95 Ca -0.31 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.15 3i8u h PRO 95 Cb 1.13 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.06 3i8u h PRO 95 CO 0.99 0.19 0.76 1.25 -0.21 0.00 0.00 178.00 180.98 3i8u h LEU 96 N 0.30 0.33 -0.57 2.35 5.85 -1.92 -1.10 115.31 120.56 3i8u h LEU 96 Ca 0.35 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3i8u h LEU 96 Cb 0.93 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3i8u h LEU 96 CO -0.09 -0.08 -0.50 -1.22 -0.34 0.00 0.00 178.44 176.21 3i8u n TYR 97 N -4.70 0.00 -1.76 1.25 4.01 -0.63 -1.24 117.16 114.08 3i8u n TYR 97 Ca 0.32 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.90 3i8u n TYR 97 Cb 1.19 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 40.11 3i8u n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8u n GLY 98 N 1.42 0.97 3.81 2.72 0.00 -0.42 -4.77 105.19 108.92 3i8u n GLY 98 Ca 0.09 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3i8u n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8u s LEU 99 N -4.04 3.91 1.13 0.99 1.43 -1.26 -4.91 118.68 115.93 3i8u s LEU 99 Ca 0.00 1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 3i8u s LEU 99 Cb 0.00 -4.53 0.25 0.00 0.03 0.00 0.00 46.19 41.94 3i8u s LEU 99 CO 0.00 -0.55 1.09 -2.16 0.23 0.00 0.00 176.35 174.96 3i8u s PRO 100 N -3.17 -0.60 -0.22 1.29 0.04 -1.26 -4.72 135.00 126.36 3i8u s PRO 100 Ca 0.64 0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 3i8u s PRO 100 Cb -0.13 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3i8u s PRO 100 CO 0.17 -3.36 0.50 -0.51 0.04 0.00 0.00 177.00 173.83 3i8u s LEU 101 N -6.79 4.12 -0.05 -3.56 1.43 -0.10 -4.55 118.68 109.17 3i8u s LEU 101 Ca 0.68 0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 54.15 3i8u s LEU 101 Cb -0.15 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3i8u s LEU 101 CO 0.57 -0.19 0.70 0.12 0.23 0.00 0.00 176.35 177.78 3i8u s PHE 102 N 1.78 3.60 0.01 0.29 2.19 -1.14 -0.45 117.98 124.26 3i8u s PHE 102 Ca 0.22 1.26 -0.04 0.00 0.33 0.00 0.00 56.93 58.71 3i8u s PHE 102 Cb -0.15 -2.79 -0.01 0.00 -1.31 0.00 0.00 43.02 38.76 3i8u s PHE 102 CO 0.09 0.12 0.05 0.20 1.83 0.00 0.00 175.22 177.52 3i8u s GLY 103 N 0.65 0.14 -0.01 13.12 0.00 -0.58 -0.90 107.32 119.74 3i8u s GLY 103 Ca 0.37 -0.34 -0.16 0.00 0.00 0.00 0.00 44.72 44.59 3i8u s GLY 103 CO 0.18 -0.44 0.35 0.00 0.00 0.00 0.00 173.10 173.19 3i8u s ASP 105 N -1.44 0.22 -0.07 0.00 3.68 -0.20 -1.36 116.67 117.51 3i8u s ASP 105 Ca -0.12 0.19 0.03 0.00 2.13 0.00 0.00 52.55 54.78 3i8u s ASP 105 Cb -0.04 0.07 0.01 0.00 -1.45 0.00 0.00 42.92 41.51 3i8u s ASP 105 CO 0.04 -0.17 -0.14 -0.63 0.13 0.00 0.00 175.17 174.40 3i8u s ILE 106 N 1.42 1.26 -0.07 4.11 -1.09 0.30 -0.62 121.20 126.52 3i8u s ILE 106 Ca -0.06 -0.56 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 3i8u s ILE 106 Cb -0.12 -1.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.63 3i8u s ILE 106 CO -0.05 0.38 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.17 3i8u s VAL 107 N 0.55 1.56 0.01 2.92 1.01 -0.20 -0.97 120.40 125.27 3i8u s VAL 107 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3i8u s VAL 107 Cb -0.15 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3i8u s VAL 107 CO 0.04 0.45 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 3i8u s ALA 108 N 0.33 0.13 0.00 5.51 0.00 0.38 -1.05 121.76 127.05 3i8u s ALA 108 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3i8u s ALA 108 Cb -0.15 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3i8u s ALA 108 CO 0.05 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3i8u n GLY 109 N 2.51 4.78 0.35 0.00 0.00 -0.45 -0.29 105.19 112.10 3i8u n GLY 109 Ca -0.16 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.04 3i8u n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i8u h PRO 110 N 0.00 0.26 0.00 1.61 0.11 -1.98 0.53 132.00 132.53 3i8u h PRO 110 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3i8u h PRO 110 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3i8u h PRO 110 CO 0.00 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.37 3i8u n GLY 111 N -1.55 -0.85 0.00 -0.55 0.00 -1.26 -5.01 105.19 95.97 3i8u n GLY 111 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3i8u n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8u n GLY 112 N 0.61 -1.72 3.69 -0.02 0.00 0.18 -4.96 105.19 102.97 3i8u n GLY 112 Ca 0.16 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3i8u n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8u s VAL 113 N -0.39 3.08 -0.15 1.61 1.01 -1.26 -1.34 120.40 122.97 3i8u s VAL 113 Ca 0.00 0.55 0.09 0.00 0.00 0.00 0.00 61.98 62.62 3i8u s VAL 113 Cb 0.00 -3.35 -0.23 0.00 0.00 0.00 0.00 36.38 32.79 3i8u s VAL 113 CO 0.00 0.00 0.25 -1.54 0.00 0.00 0.00 175.10 173.82 3i8u n SER 114 N 5.44 0.98 -3.80 3.32 3.41 -0.22 -4.29 113.62 118.46 3i8u n SER 114 Ca 0.15 0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 3i8u n SER 114 Cb 0.41 0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 3i8u n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8u s ALA 115 N -2.54 0.14 -0.08 7.33 0.00 -1.08 -4.22 121.76 121.31 3i8u s ALA 115 Ca -0.15 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3i8u s ALA 115 Cb 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3i8u s ALA 115 CO 0.78 -0.08 0.01 0.00 0.00 0.00 0.00 175.76 176.46 3i8u s ALA 116 N 0.93 0.70 -0.04 0.00 0.00 0.02 -1.04 121.76 122.34 3i8u s ALA 116 Ca -0.08 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3i8u s ALA 116 Cb -0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 3i8u s ALA 116 CO -0.02 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 175.49 3i8u s ILE 117 N 1.97 1.29 -0.11 0.00 1.09 0.21 -1.31 121.20 124.34 3i8u s ILE 117 Ca 0.05 -0.64 -0.15 0.00 -1.10 0.00 0.00 60.65 58.80 3i8u s ILE 117 Cb -0.13 -1.11 0.04 0.00 -1.06 0.00 0.00 42.46 40.20 3i8u s ILE 117 CO -0.05 0.37 0.39 0.00 -0.10 0.00 0.00 174.94 175.55 3i8u s ALA 118 N 0.01 -0.96 0.16 9.38 0.00 -0.77 -1.03 121.76 128.55 3i8u s ALA 118 Ca -0.02 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.66 3i8u s ALA 118 Cb -0.10 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.63 3i8u s ALA 118 CO 0.01 -0.21 0.54 0.34 0.00 0.00 0.00 175.76 176.44 3i8u s ASP 119 N -0.25 -0.41 -0.31 0.00 3.68 -0.38 -1.02 116.67 117.98 3i8u s ASP 119 Ca -0.04 -0.21 -0.01 0.00 2.13 0.00 0.00 52.55 54.42 3i8u s ASP 119 Cb -0.03 0.57 0.06 0.00 -1.45 0.00 0.00 42.92 42.07 3i8u s ASP 119 CO 0.02 -0.98 0.02 -0.76 0.13 0.00 0.00 175.17 173.60 3i8u s LEU 120 N -2.80 4.11 -0.14 -1.34 1.43 -1.26 -1.53 118.68 117.15 3i8u s LEU 120 Ca 0.04 -1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 51.59 3i8u s LEU 120 Cb -0.01 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3i8u s LEU 120 CO -0.10 -0.30 0.15 -0.55 0.23 0.00 0.00 176.35 175.78 3i8u s SER 121 N 1.30 6.34 0.54 2.29 0.15 0.41 -4.32 113.70 120.42 3i8u s SER 121 Ca -0.02 0.41 -0.19 0.00 0.70 0.00 0.00 55.95 56.84 3i8u s SER 121 Cb -0.20 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 61.96 3i8u s SER 121 CO -0.02 0.32 1.12 -2.16 1.20 0.00 0.00 173.24 173.69 3i8u s PRO 122 N -0.50 3.37 0.00 5.44 0.04 -1.26 -0.93 135.00 141.16 3i8u s PRO 122 Ca 0.13 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.76 3i8u s PRO 122 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3i8u s PRO 122 CO 0.02 -0.83 0.08 0.25 0.04 0.00 0.00 177.00 176.56 3i8u n THR 123 N -1.34 0.00 -2.10 1.26 -2.24 -1.26 -4.83 114.28 103.76 3i8u n THR 123 Ca 0.11 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 3i8u n THR 123 Cb 0.51 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3i8u n THR 123 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i8u s GLN 124 N -1.09 3.15 0.49 -0.78 -0.21 -1.26 -3.77 119.66 116.19 3i8u s GLN 124 Ca 0.01 1.64 0.21 0.00 0.02 0.00 0.00 55.36 57.24 3i8u s GLN 124 Cb 0.01 -1.97 1.27 0.00 1.00 0.00 0.00 33.01 33.32 3i8u s GLN 124 CO 0.06 -1.02 2.05 0.66 -2.12 0.00 0.00 175.29 174.92 3i8u h SER 125 N 0.91 0.00 -0.01 5.90 4.64 -1.93 -1.16 113.55 121.90 3i8u h SER 125 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3i8u h SER 125 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3i8u h SER 125 CO 0.56 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 3i8u n ASP 126 N -3.98 0.15 -1.89 4.97 3.85 -1.26 -4.91 116.55 113.48 3i8u n ASP 126 Ca -0.02 -1.34 -0.20 0.00 -0.71 0.00 0.00 54.79 52.53 3i8u n ASP 126 Cb 0.23 -0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 39.95 3i8u n ASP 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3i8u n ARG 127 N -0.74 -1.47 -4.17 0.11 1.74 -0.44 -4.99 116.66 106.69 3i8u n ARG 127 Ca 0.17 1.06 -0.29 0.00 -0.77 0.00 0.00 57.85 58.02 3i8u n ARG 127 Cb 0.10 -5.53 -0.08 0.00 -1.02 0.00 0.00 32.46 25.93 3i8u n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i8u s GLN 128 N -4.36 2.40 0.69 5.56 -1.52 -1.26 -4.84 119.66 116.32 3i8u s GLN 128 Ca 0.00 -0.97 -0.12 0.00 -1.95 0.00 0.00 55.36 52.32 3i8u s GLN 128 Cb 0.00 -2.42 0.01 0.00 -0.22 0.00 0.00 33.01 30.37 3i8u s GLN 128 CO 0.00 0.51 1.07 -0.51 -0.25 0.00 0.00 175.29 176.10 3i8u s LEU 129 N -2.49 3.19 0.70 2.90 1.43 -1.26 -4.40 118.68 118.76 3i8u s LEU 129 Ca 0.25 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.90 3i8u s LEU 129 Cb -0.11 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.62 3i8u s LEU 129 CO 0.17 -1.52 1.22 -2.65 0.23 0.00 0.00 176.35 173.81 3i8u n PRO 130 N -2.96 0.78 -0.34 1.29 -0.02 -1.26 -4.72 135.00 127.77 3i8u n PRO 130 Ca 0.08 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3i8u n PRO 130 Cb 0.53 -2.46 0.22 0.00 -0.02 0.00 0.00 33.50 31.78 3i8u n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8u h ALA 131 N 0.04 1.42 -0.56 3.55 0.00 -1.99 -0.73 119.26 120.99 3i8u h ALA 131 Ca -0.49 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3i8u h ALA 131 Cb 1.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3i8u h ALA 131 CO 0.50 0.16 0.24 0.00 0.00 0.00 0.00 179.25 180.15 3i8u h ALA 132 N 1.52 1.36 -0.20 0.00 0.00 -2.00 -1.61 119.26 118.34 3i8u h ALA 132 Ca 0.47 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 3i8u h ALA 132 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i8u h ALA 132 CO -0.27 0.49 -0.41 1.88 0.00 0.00 0.00 179.25 180.93 3i8u h TYR 133 N 0.80 0.79 -0.79 0.00 -1.99 -1.52 -2.24 116.97 112.02 3i8u h TYR 133 Ca 0.19 -0.29 0.06 0.00 2.00 0.00 0.00 58.73 60.69 3i8u h TYR 133 Cb 0.14 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.66 3i8u h TYR 133 CO 0.01 1.05 0.47 1.96 -0.00 0.00 0.00 178.16 181.66 3i8u h GLN 134 N 0.31 0.84 0.41 4.88 4.20 -0.91 0.71 115.11 125.53 3i8u h GLN 134 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3i8u h GLN 134 Cb 1.02 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3i8u h GLN 134 CO 0.09 0.55 -0.20 0.87 -0.67 0.00 0.00 178.83 179.48 3i8u h LYS 135 N 0.86 -0.53 -0.69 1.46 1.79 -1.29 -1.48 116.57 116.69 3i8u h LYS 135 Ca 0.35 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 3i8u h LYS 135 Cb 0.18 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3i8u h LYS 135 CO -0.18 -0.28 0.34 0.77 -1.08 0.00 0.00 179.45 179.03 3i8u h SER 136 N -0.70 0.90 -0.33 0.86 0.02 -1.26 -2.35 113.55 110.69 3i8u h SER 136 Ca -0.06 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 3i8u h SER 136 Cb 0.50 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3i8u h SER 136 CO 0.09 0.77 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.33 3i8u h LEU 137 N 0.96 0.70 -0.69 5.07 3.38 -0.85 -2.90 115.31 120.99 3i8u h LEU 137 Ca 0.24 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3i8u h LEU 137 Cb 0.10 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3i8u h LEU 137 CO -0.03 0.95 0.28 0.00 0.09 0.00 0.00 178.44 179.73 3i8u h ALA 138 N 0.77 0.94 -0.02 1.53 0.00 -1.08 -1.98 119.26 119.42 3i8u h ALA 138 Ca 0.07 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i8u h ALA 138 Cb 0.68 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i8u h ALA 138 CO 0.05 -0.16 0.05 0.93 0.00 0.00 0.00 179.25 180.11 3i8u h GLU 139 N 0.47 0.00 0.00 0.00 5.08 -1.21 -0.96 114.58 117.96 3i8u h GLU 139 Ca 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3i8u h GLU 139 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3i8u h GLU 139 CO -0.34 0.00 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.45 3i8u h LEU 140 N 0.00 0.00 0.00 1.33 3.38 -1.34 -3.50 115.31 115.19 3i8u h LEU 140 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i8u h LEU 140 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i8u h LEU 140 CO -0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3i8u n GLY 141 N -0.28 -1.57 3.66 0.83 0.00 -0.37 -4.87 105.19 102.59 3i8u n GLY 141 Ca -0.01 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3i8u n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i8u s GLN 142 N -2.82 4.22 0.37 1.61 0.74 -1.26 -5.00 119.66 117.52 3i8u s GLN 142 Ca 0.00 1.37 -0.24 0.00 0.05 0.00 0.00 55.36 56.54 3i8u s GLN 142 Cb 0.00 -3.68 -0.10 0.00 1.10 0.00 0.00 33.01 30.33 3i8u s GLN 142 CO 0.00 -0.69 0.96 -1.25 -0.55 0.00 0.00 175.29 173.77 3i8u s PRO 143 N 3.33 4.40 -0.19 1.67 0.04 -1.26 -5.02 135.00 137.97 3i8u s PRO 143 Ca 0.46 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 3i8u s PRO 143 Cb -0.16 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3i8u s PRO 143 CO 0.09 0.11 0.38 -1.21 0.04 0.00 0.00 177.00 176.42 3i8u s GLU 144 N -2.48 4.20 -0.01 4.56 2.02 -1.26 -5.06 118.70 120.66 3i8u s GLU 144 Ca 0.55 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.75 3i8u s GLU 144 Cb -0.16 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.57 3i8u s GLU 144 CO 0.21 0.02 -0.03 -0.06 0.02 0.00 0.00 175.26 175.42 3i8u s PHE 145 N 1.12 0.36 0.21 1.61 0.40 -1.26 -5.03 117.98 115.40 3i8u s PHE 145 Ca 0.19 -0.05 0.10 0.00 -0.60 0.00 0.00 56.93 56.57 3i8u s PHE 145 Cb -0.14 -0.31 0.19 0.00 0.51 0.00 0.00 43.02 43.27 3i8u s PHE 145 CO 0.07 -0.06 1.51 0.93 0.70 0.00 0.00 175.22 178.38 3i8u h GLU 146 N 6.54 0.00 -2.56 0.44 5.08 -1.97 -3.37 114.58 118.73 3i8u h GLU 146 Ca -0.33 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.42 3i8u h GLU 146 Cb 1.17 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.01 3i8u h GLU 146 CO 0.49 0.72 -0.67 1.04 -1.00 0.00 0.00 179.01 179.60 3i8u n GLN 147 N -3.64 1.86 -2.46 2.33 6.02 -1.26 -5.09 117.38 115.15 3i8u n GLN 147 Ca -0.01 -4.33 -0.37 0.00 -0.01 0.00 0.00 57.00 52.28 3i8u n GLN 147 Cb 0.71 -2.12 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3i8u n GLN 147 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i8u s GLN 148 N -1.71 4.15 -0.03 -1.09 -0.21 -1.26 -1.22 119.66 118.28 3i8u s GLN 148 Ca 0.33 1.63 0.06 0.00 0.02 0.00 0.00 55.36 57.39 3i8u s GLN 148 Cb 0.06 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.44 3i8u s GLN 148 CO -0.10 -0.18 -0.21 1.03 -2.12 0.00 0.00 175.29 173.70 3i8u s ARG 149 N -2.38 2.29 0.03 2.91 0.52 -0.09 -4.88 118.95 117.36 3i8u s ARG 149 Ca 0.57 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.66 3i8u s ARG 149 Cb -0.25 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3i8u s ARG 149 CO 0.32 0.58 0.92 -2.00 0.02 0.00 0.00 175.30 175.13 3i8u s GLU 150 N -0.63 4.58 0.54 3.54 2.56 -1.26 -4.70 118.70 123.33 3i8u s GLU 150 Ca 0.10 1.32 -0.21 0.00 0.00 0.00 0.00 54.97 56.19 3i8u s GLU 150 Cb -0.10 -3.42 -0.05 0.00 2.00 0.00 0.00 34.13 32.56 3i8u s GLU 150 CO -0.00 0.09 1.23 -0.51 -0.56 0.00 0.00 175.26 175.51 3i8u s LEU 151 N 0.52 3.81 0.87 2.70 1.43 -1.26 -5.02 118.68 121.73 3i8u s LEU 151 Ca 0.47 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.91 3i8u s LEU 151 Cb -0.21 -4.42 0.11 0.00 0.03 0.00 0.00 46.19 41.70 3i8u s LEU 151 CO 0.27 -1.39 1.10 -2.16 0.23 0.00 0.00 176.35 174.40 3i8u s PRO 152 N -3.05 1.46 0.34 1.29 0.04 -1.26 -4.87 135.00 128.94 3i8u s PRO 152 Ca 0.72 1.07 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3i8u s PRO 152 Cb -0.32 -1.81 0.73 0.00 0.04 0.00 0.00 34.50 33.13 3i8u s PRO 152 CO 0.37 -2.17 1.88 -1.35 0.04 0.00 0.00 177.00 175.76 3i8u h PRO 153 N -1.51 0.77 0.00 0.56 0.11 -2.02 0.61 132.00 130.52 3i8u h PRO 153 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i8u h PRO 153 Cb 1.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i8u h PRO 153 CO 0.51 0.51 0.00 0.11 -0.21 0.00 0.00 178.00 178.92 3i8u h TRP 154 N 0.80 0.00 0.00 0.65 5.08 -1.92 -2.60 115.95 117.96 3i8u h TRP 154 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 3i8u h TRP 154 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 3i8u h TRP 154 CO -0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 3i8u n GLY 155 N -0.71 -0.50 0.36 11.11 0.00 0.20 -3.47 105.19 112.17 3i8u n GLY 155 Ca -0.01 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.14 3i8u n GLY 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i8u h GLU 156 N 0.00 0.00 0.00 1.61 -0.00 -1.63 -1.96 114.58 112.60 3i8u h GLU 156 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3i8u h GLU 156 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3i8u h GLU 156 CO 0.00 0.00 -0.01 -0.84 -0.00 0.00 0.00 179.01 178.16 3i8u h ILE 157 N 0.00 0.03 -3.83 -1.06 3.07 -1.86 -3.44 117.51 110.42 3i8u h ILE 157 Ca 0.09 -0.23 -0.48 0.00 1.55 0.00 0.00 64.86 65.79 3i8u h ILE 157 Cb 0.76 1.22 -0.02 0.00 -0.27 0.00 0.00 36.82 38.51 3i8u h ILE 157 CO -0.00 0.01 0.17 -0.36 -1.05 0.00 0.00 178.15 176.92 3i8u s PHE 158 N -3.97 3.38 1.02 0.16 2.99 -0.74 -4.25 117.98 116.57 3i8u s PHE 158 Ca -0.02 1.29 -0.14 0.00 0.00 0.00 0.00 56.93 58.06 3i8u s PHE 158 Cb 0.11 -2.61 0.20 0.00 0.00 0.00 0.00 43.02 40.72 3i8u s PHE 158 CO 0.47 -0.01 1.12 -1.54 -0.00 0.00 0.00 175.22 175.26 3i8u s SER 159 N -2.43 2.52 0.29 1.36 1.04 -1.26 -4.93 113.70 110.28 3i8u s SER 159 Ca 0.56 0.95 0.23 0.00 0.48 0.00 0.00 55.95 58.17 3i8u s SER 159 Cb -0.10 -1.47 1.06 0.00 0.10 0.00 0.00 66.02 65.60 3i8u s SER 159 CO 0.19 -3.17 1.70 -1.84 0.98 0.00 0.00 173.24 171.10 3i8u n GLU 160 N -4.17 0.18 -0.02 4.02 0.00 -1.26 -1.95 120.64 117.44 3i8u n GLU 160 Ca 0.08 0.50 0.13 0.00 0.00 0.00 0.00 57.16 57.87 3i8u n GLU 160 Cb 0.58 -1.91 0.39 0.00 0.00 0.00 0.00 31.44 30.50 3i8u n GLU 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i8u n TYR 161 N -2.26 0.05 -1.75 -1.84 4.02 -1.26 -4.96 117.16 109.16 3i8u n TYR 161 Ca 0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 3i8u n TYR 161 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.47 3i8u n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8u s LEU 163 N -0.71 4.13 -0.28 0.00 1.43 -0.19 -4.97 118.68 118.09 3i8u s LEU 163 Ca 0.62 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3i8u s LEU 163 Cb -0.49 -2.01 0.14 0.00 0.03 0.00 0.00 46.19 43.86 3i8u s LEU 163 CO 0.51 0.34 0.36 0.12 0.23 0.00 0.00 176.35 177.91 3i8u s PHE 164 N -0.65 -0.78 0.18 0.29 5.99 -1.25 -1.85 117.98 119.91 3i8u s PHE 164 Ca 0.12 0.28 0.01 0.00 0.00 0.00 0.00 56.93 57.34 3i8u s PHE 164 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 43.02 42.64 3i8u s PHE 164 CO 0.02 -0.90 0.03 0.96 -0.00 0.00 0.00 175.22 175.33 3i8u s ILE 165 N 2.48 0.53 -0.33 3.12 -4.36 -0.42 -0.91 121.20 121.30 3i8u s ILE 165 Ca 0.10 -1.97 -0.09 0.00 -0.26 0.00 0.00 60.65 58.43 3i8u s ILE 165 Cb -0.14 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.41 3i8u s ILE 165 CO -0.27 -0.40 0.15 -0.60 0.24 0.00 0.00 174.94 174.05 3i8u s ARG 166 N -3.96 3.05 0.28 0.37 3.52 -0.36 -0.80 118.95 121.05 3i8u s ARG 166 Ca 0.26 -0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 54.65 3i8u s ARG 166 Cb 0.07 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.77 3i8u s ARG 166 CO 0.05 -0.54 1.56 -2.30 -0.81 0.00 0.00 175.30 173.27 3i8u n PRO 167 N 4.94 2.57 0.12 5.12 -0.02 -1.26 -4.32 135.00 142.16 3i8u n PRO 167 Ca -0.13 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.35 3i8u n PRO 167 Cb 0.47 -2.68 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 3i8u n PRO 167 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i8u h SER 168 N 4.76 0.00 -2.51 2.55 4.64 -1.94 -3.47 113.55 117.58 3i8u h SER 168 Ca -0.46 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.00 3i8u h SER 168 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3i8u h SER 168 CO 0.79 0.14 0.55 -0.46 -0.87 0.00 0.00 176.83 176.99 3i8u n ASN 169 N -2.84 -1.72 -0.30 4.97 0.23 -1.26 -5.03 115.26 109.31 3i8u n ASN 169 Ca -0.01 -1.92 -0.05 0.00 -0.53 0.00 0.00 54.58 52.08 3i8u n ASN 169 Cb 0.61 2.79 0.07 0.00 -2.08 0.00 0.00 39.78 41.18 3i8u n ASN 169 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3i8u h VAL 170 N 1.95 1.24 -0.59 3.53 2.07 -1.99 -1.52 116.25 120.94 3i8u h VAL 170 Ca -0.27 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 66.78 3i8u h VAL 170 Cb 1.16 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3i8u h VAL 170 CO 0.36 0.26 0.21 0.74 0.02 0.00 0.00 177.57 179.15 3i8u h THR 171 N 1.12 0.77 -0.33 2.57 2.02 -1.99 -0.64 112.91 116.43 3i8u h THR 171 Ca 0.29 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.21 3i8u h THR 171 Cb 0.00 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3i8u h THR 171 CO -0.05 0.07 -0.31 -0.33 0.37 0.00 0.00 175.52 175.27 3i8u h GLU 172 N 0.39 0.70 -0.23 6.66 5.08 -1.83 -0.92 114.58 124.43 3i8u h GLU 172 Ca 0.30 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3i8u h GLU 172 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3i8u h GLU 172 CO -0.31 0.92 0.13 0.93 -1.00 0.00 0.00 179.01 179.68 3i8u h GLU 173 N 0.60 0.26 -0.56 2.33 5.08 -0.76 -0.19 114.58 121.34 3i8u h GLU 173 Ca 0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3i8u h GLU 173 Cb 0.82 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3i8u h GLU 173 CO 0.07 0.17 0.07 0.93 -1.00 0.00 0.00 179.01 179.25 3i8u h GLU 174 N 0.26 0.91 -0.70 2.33 5.08 -1.02 -1.57 114.58 119.87 3i8u h GLU 174 Ca 0.09 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3i8u h GLU 174 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3i8u h GLU 174 CO -0.05 0.86 0.15 -0.09 -1.00 0.00 0.00 179.01 178.88 3i8u h ARG 175 N 0.86 1.14 0.02 2.33 2.43 -0.78 -1.03 114.38 119.34 3i8u h ARG 175 Ca 0.17 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3i8u h ARG 175 Cb 0.40 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i8u h ARG 175 CO 0.01 1.01 -0.01 0.35 -1.51 0.00 0.00 179.97 179.82 3i8u h PHE 176 N 1.07 -0.02 -0.68 2.20 3.04 -0.80 -1.65 116.94 120.09 3i8u h PHE 176 Ca 0.22 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.22 3i8u h PHE 176 Cb 0.40 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 3i8u h PHE 176 CO 0.03 0.19 0.40 0.28 -2.02 0.00 0.00 178.31 177.19 3i8u h VAL 177 N -0.23 1.01 -0.39 1.41 2.07 -1.11 -1.21 116.25 117.79 3i8u h VAL 177 Ca -0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3i8u h VAL 177 Cb 0.22 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3i8u h VAL 177 CO 0.00 0.14 0.00 -0.61 0.02 0.00 0.00 177.57 177.12 3i8u h GLN 178 N 0.75 0.62 -0.36 1.57 5.75 -1.09 -0.63 115.11 121.72 3i8u h GLN 178 Ca 0.29 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.54 3i8u h GLN 178 Cb 0.13 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3i8u h GLN 178 CO -0.16 0.64 -0.23 -0.09 -2.65 0.00 0.00 178.83 176.35 3i8u h ARG 179 N 0.59 0.72 -0.59 1.69 2.43 -0.60 0.25 114.38 118.87 3i8u h ARG 179 Ca 0.12 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 3i8u h ARG 179 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3i8u h ARG 179 CO 0.01 0.88 0.11 0.28 -1.51 0.00 0.00 179.97 179.74 3i8u h VAL 180 N 0.63 1.26 -0.53 0.20 2.07 -0.71 0.67 116.25 119.83 3i8u h VAL 180 Ca 0.09 -0.96 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3i8u h VAL 180 Cb 0.72 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3i8u h VAL 180 CO 0.06 0.36 0.13 0.58 0.02 0.00 0.00 177.57 178.71 3i8u h VAL 181 N 0.87 0.73 -0.62 2.57 2.07 -0.77 -0.23 116.25 120.87 3i8u h VAL 181 Ca 0.18 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3i8u h VAL 181 Cb 0.40 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3i8u h VAL 181 CO 0.01 0.05 0.34 0.44 0.02 0.00 0.00 177.57 178.43 3i8u h ASP 182 N 0.27 0.77 -0.32 0.57 3.32 -0.44 -0.45 116.42 120.14 3i8u h ASP 182 Ca 0.27 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3i8u h ASP 182 Cb 0.35 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3i8u h ASP 182 CO -0.33 0.64 0.08 -0.26 -1.72 0.00 0.00 179.24 177.66 3i8u h PHE 183 N 0.84 0.14 -0.81 4.55 -1.00 -0.28 -1.79 116.94 118.58 3i8u h PHE 183 Ca 0.22 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 3i8u h PHE 183 Cb 0.04 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 3i8u h PHE 183 CO -0.01 0.05 0.35 -0.07 -1.61 0.00 0.00 178.31 177.01 3i8u h LEU 184 N 0.21 1.10 -0.40 1.54 3.38 -0.71 -0.55 115.31 119.88 3i8u h LEU 184 Ca 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3i8u h LEU 184 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i8u h LEU 184 CO -0.18 0.95 0.14 -0.61 0.09 0.00 0.00 178.44 178.83 3i8u h GLN 185 N 1.17 0.62 -0.19 1.13 4.15 -0.85 0.06 115.11 121.20 3i8u h GLN 185 Ca 0.27 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.57 3i8u h GLN 185 Cb 0.18 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3i8u h GLN 185 CO -0.03 0.60 0.11 0.82 -1.93 0.00 0.00 178.83 178.41 3i8u h ILE 186 N 0.50 1.03 -0.32 2.39 2.04 -1.16 -2.17 117.51 119.82 3i8u h ILE 186 Ca 0.13 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3i8u h ILE 186 Cb 0.24 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3i8u h ILE 186 CO -0.01 0.04 0.18 -0.74 0.00 0.00 0.00 178.15 177.62 3i8u h HIS 187 N 0.24 0.43 -0.64 1.37 2.76 -0.77 0.11 115.15 118.64 3i8u h HIS 187 Ca 0.07 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 3i8u h HIS 187 Cb -0.01 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 3i8u h HIS 187 CO -0.08 0.34 0.11 0.00 -1.30 0.00 0.00 177.93 177.01 3i8u h HIS 189 N 0.98 0.22 -0.26 0.00 6.17 -1.10 -2.94 115.15 118.23 3i8u h HIS 189 Ca 0.20 -0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.29 3i8u h HIS 189 Cb 0.41 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 3i8u h HIS 189 CO 0.03 0.51 0.18 1.96 0.71 0.00 0.00 177.93 181.32 3i8u h GLN 190 N -0.13 0.09 -0.05 5.26 1.08 -0.63 -1.23 115.11 119.49 3i8u h GLN 190 Ca 0.03 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3i8u h GLN 190 Cb 0.44 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3i8u h GLN 190 CO 0.01 0.06 -0.13 0.66 -0.95 0.00 0.00 178.83 178.48 3i8u h SER 191 N 0.09 0.07 1.29 1.46 4.64 -0.99 -1.75 113.55 118.36 3i8u h SER 191 Ca 0.12 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3i8u h SER 191 Cb 0.36 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3i8u h SER 191 CO -0.01 0.21 -0.74 0.16 -0.87 0.00 0.00 176.83 175.58 3i8u h ILE 192 N 0.08 0.32 -0.03 0.95 3.07 -1.20 -3.31 117.51 117.40 3i8u h ILE 192 Ca 0.02 -1.52 0.00 0.00 1.55 0.00 0.00 64.86 64.91 3i8u h ILE 192 Cb 0.28 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3i8u h ILE 192 CO 0.02 0.18 -0.05 1.33 -1.05 0.00 0.00 178.15 178.58 3i8u n VAL 193 N -2.96 0.00 -2.46 0.16 0.24 -0.96 -4.97 118.33 107.38 3i8u n VAL 193 Ca -0.01 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 3i8u n VAL 193 Cb 0.66 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.29 3i8u n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8u s ALA 194 N -2.06 3.49 0.10 2.33 0.00 -0.70 -4.97 121.76 119.96 3i8u s ALA 194 Ca 0.29 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 3i8u s ALA 194 Cb 0.20 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3i8u s ALA 194 CO 0.34 -0.76 1.45 -1.21 0.00 0.00 0.00 175.76 175.58 3i8u s GLU 195 N 2.22 4.28 0.59 0.00 2.02 -1.26 -5.01 118.70 121.54 3i8u s GLU 195 Ca 0.56 2.13 -0.17 0.00 0.02 0.00 0.00 54.97 57.51 3i8u s GLU 195 Cb -0.24 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 3i8u s GLU 195 CO 0.22 -0.53 1.10 -1.25 0.02 0.00 0.00 175.26 174.82 3i8u s PRO 196 N 1.54 3.16 0.39 0.39 0.04 -1.26 -4.77 135.00 134.49 3i8u s PRO 196 Ca 0.67 1.44 0.08 0.00 0.04 0.00 0.00 61.00 63.22 3i8u s PRO 196 Cb -0.37 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3i8u s PRO 196 CO 0.30 -0.97 0.13 -0.51 0.04 0.00 0.00 177.00 175.99 3i8u s LEU 197 N -4.31 3.09 0.92 -3.56 1.43 -0.38 -5.02 118.68 110.85 3i8u s LEU 197 Ca 0.69 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3i8u s LEU 197 Cb -0.21 -1.40 0.14 0.00 0.03 0.00 0.00 46.19 44.76 3i8u s LEU 197 CO 0.34 -0.46 1.10 -0.94 0.23 0.00 0.00 176.35 176.61 3i8u s SER 198 N -3.85 3.09 0.27 2.29 1.04 -1.26 -4.74 113.70 110.54 3i8u s SER 198 Ca 0.39 1.82 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 3i8u s SER 198 Cb 0.03 -2.41 0.36 0.00 0.10 0.00 0.00 66.02 64.10 3i8u s SER 198 CO 0.22 -2.93 1.86 -0.33 0.98 0.00 0.00 173.24 173.03 3i8u h GLU 199 N -1.75 0.99 -0.39 4.02 5.08 -1.99 0.10 114.58 120.64 3i8u h GLU 199 Ca -0.48 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 57.65 3i8u h GLU 199 Cb 1.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i8u h GLU 199 CO 0.48 0.78 -0.08 0.00 -1.00 0.00 0.00 179.01 179.20 3i8u h ALA 200 N 1.35 0.53 -0.56 3.43 0.00 -1.99 -1.50 119.26 120.53 3i8u h ALA 200 Ca 0.24 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i8u h ALA 200 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i8u h ALA 200 CO -0.03 0.38 0.01 1.96 0.00 0.00 0.00 179.25 181.58 3i8u h GLN 201 N 0.55 0.95 -0.61 0.00 4.20 -1.84 -1.36 115.11 116.99 3i8u h GLN 201 Ca 0.10 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3i8u h GLN 201 Cb 0.59 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3i8u h GLN 201 CO 0.04 0.93 0.34 1.15 -0.67 0.00 0.00 178.83 180.61 3i8u h THR 202 N 0.88 1.20 -0.39 -0.54 2.02 -0.65 -1.29 112.91 114.12 3i8u h THR 202 Ca 0.16 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.88 3i8u h THR 202 Cb 0.50 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3i8u h THR 202 CO 0.02 0.21 0.22 0.25 0.37 0.00 0.00 175.52 176.59 3i8u h LEU 203 N 0.83 0.33 0.01 2.58 5.85 -1.11 0.40 115.31 124.20 3i8u h LEU 203 Ca 0.22 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3i8u h LEU 203 Cb 0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3i8u h LEU 203 CO -0.04 0.24 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.03 3i8u h GLU 204 N 0.44 -0.32 -0.90 1.25 4.81 -0.71 -1.47 114.58 117.68 3i8u h GLU 204 Ca 0.16 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3i8u h GLU 204 Cb 0.04 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 3i8u h GLU 204 CO -0.09 -0.21 0.58 0.45 -0.73 0.00 0.00 179.01 179.00 3i8u h HIS 205 N -0.33 1.08 -0.58 0.92 3.86 -1.09 -2.29 115.15 116.72 3i8u h HIS 205 Ca 0.06 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 3i8u h HIS 205 Cb 0.40 -0.36 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 3i8u h HIS 205 CO -0.24 0.60 0.26 -0.09 0.86 0.00 0.00 177.93 179.32 3i8u h ARG 206 N 1.10 0.47 -0.49 2.45 2.43 -0.70 -1.99 114.38 117.65 3i8u h ARG 206 Ca 0.37 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3i8u h ARG 206 Cb 0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3i8u h ARG 206 CO -0.13 0.31 0.03 1.96 -1.51 0.00 0.00 179.97 180.62 3i8u h GLN 207 N 0.48 0.80 -0.64 0.20 1.08 -0.95 -1.12 115.11 114.96 3i8u h GLN 207 Ca 0.28 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3i8u h GLN 207 Cb 0.27 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3i8u h GLN 207 CO -0.24 0.79 0.31 0.78 -0.95 0.00 0.00 178.83 179.53 3i8u h GLY 208 N 0.97 0.95 1.30 3.46 0.00 -0.84 -0.46 103.07 108.45 3i8u h GLY 208 Ca 0.15 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 3i8u h GLY 208 CO 0.02 0.42 -0.68 -1.61 0.00 0.00 0.00 176.54 174.69 3i8u h GLN 209 N 0.89 0.71 -0.28 4.80 4.15 -0.87 -1.39 115.11 123.12 3i8u h GLN 209 Ca 0.22 -0.52 -0.00 0.00 0.77 0.00 0.00 58.65 59.11 3i8u h GLN 209 Cb 0.08 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3i8u h GLN 209 CO -0.03 1.14 0.16 0.82 -1.93 0.00 0.00 178.83 178.99 3i8u h ILE 210 N 0.51 1.12 -0.70 2.39 2.04 -0.92 -1.94 117.51 120.01 3i8u h ILE 210 Ca -0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3i8u h ILE 210 Cb 1.28 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3i8u h ILE 210 CO 0.14 0.12 0.40 -0.74 0.00 0.00 0.00 178.15 178.07 3i8u h HIS 211 N 0.35 0.95 -0.37 1.37 2.76 -1.01 -0.87 115.15 118.33 3i8u h HIS 211 Ca 0.10 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3i8u h HIS 211 Cb 0.05 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.64 3i8u h HIS 211 CO -0.03 0.66 -0.01 -0.92 -1.30 0.00 0.00 177.93 176.33 3i8u h TYR 212 N 0.96 -0.03 -0.45 5.26 3.20 -1.00 -0.81 116.97 124.09 3i8u h TYR 212 Ca 0.25 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3i8u h TYR 212 Cb 0.01 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3i8u h TYR 212 CO -0.01 -0.08 0.12 0.00 -1.64 0.00 0.00 178.16 176.56 3i8u h GLN 214 N 0.60 1.09 -0.36 0.00 4.20 -0.87 -2.18 115.11 117.58 3i8u h GLN 214 Ca 0.14 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 3i8u h GLN 214 Cb 0.30 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3i8u h GLN 214 CO -0.00 0.75 -0.10 1.96 -0.67 0.00 0.00 178.83 180.77 3i8u h GLN 215 N 1.10 0.71 -0.34 1.46 1.08 -0.97 -3.08 115.11 115.07 3i8u h GLN 215 Ca 0.29 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 3i8u h GLN 215 Cb -0.06 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3i8u h GLN 215 CO -0.06 0.87 0.23 1.96 -0.95 0.00 0.00 178.83 180.89 3i8u h GLN 216 N 0.50 0.22 0.00 1.46 1.08 -0.89 -0.40 115.11 117.08 3i8u h GLN 216 Ca 0.09 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3i8u h GLN 216 Cb 0.62 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3i8u h GLN 216 CO 0.04 0.14 0.00 1.04 -0.95 0.00 0.00 178.83 179.10 3i8u n GLN 217 N -4.48 0.02 -0.02 1.46 6.02 -0.84 -1.96 117.38 117.58 3i8u n GLN 217 Ca 0.04 0.28 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 3i8u n GLN 217 Cb 0.25 -1.53 0.56 0.00 1.02 0.00 0.00 30.24 30.54 3i8u n GLN 217 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i8u n LYS 218 N -1.56 1.48 -2.31 -1.09 5.02 -0.16 -4.79 118.16 114.75 3i8u n LYS 218 Ca 0.03 -0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 55.21 3i8u n LYS 218 Cb 0.17 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3i8u n LYS 218 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i8u s ASN 219 N -1.82 5.83 0.18 4.39 3.84 -0.83 -4.85 114.94 121.68 3i8u s ASN 219 Ca 0.37 0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.77 3i8u s ASN 219 Cb 0.19 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 39.25 3i8u s ASN 219 CO 0.31 -1.99 1.72 0.47 -2.79 0.00 0.00 177.10 174.82 3i8u n ASP 220 N 10.65 0.56 -0.03 -4.21 8.00 -1.26 -2.65 116.55 127.61 3i8u n ASP 220 Ca 0.12 0.60 -0.12 0.00 0.71 0.00 0.00 54.79 56.10 3i8u n ASP 220 Cb 0.50 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.79 3i8u n ASP 220 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i8u h LYS 221 N 0.00 0.17 -0.30 -1.24 1.79 -1.99 -1.51 116.57 113.49 3i8u h LYS 221 Ca 0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3i8u h LYS 221 Cb 0.48 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3i8u h LYS 221 CO 0.00 0.49 0.14 1.15 -1.08 0.00 0.00 179.45 180.15 3i8u h THR 222 N -0.16 1.16 -0.88 -0.16 2.02 -1.96 -3.07 112.91 109.85 3i8u h THR 222 Ca 0.02 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3i8u h THR 222 Cb 0.42 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3i8u h THR 222 CO 0.01 0.16 0.51 -0.09 0.37 0.00 0.00 175.52 176.48 3i8u h ARG 223 N 0.34 1.22 -0.58 6.66 2.43 -1.43 -2.04 114.38 120.98 3i8u h ARG 223 Ca 0.10 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3i8u h ARG 223 Cb 0.13 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3i8u h ARG 223 CO -0.01 0.87 0.03 -0.09 -1.51 0.00 0.00 179.97 179.26 3i8u h ARG 224 N 1.22 1.00 -0.37 0.20 2.43 -1.28 0.11 114.38 117.69 3i8u h ARG 224 Ca 0.31 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i8u h ARG 224 Cb -0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3i8u h ARG 224 CO -0.05 0.98 0.24 0.28 -1.51 0.00 0.00 179.97 179.91 3i8u h VAL 225 N 0.90 1.10 -0.53 0.20 2.07 -1.35 -0.59 116.25 118.04 3i8u h VAL 225 Ca 0.17 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3i8u h VAL 225 Cb 0.51 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3i8u h VAL 225 CO 0.02 0.09 0.20 -0.07 0.02 0.00 0.00 177.57 177.84 3i8u h LEU 226 N 0.50 0.75 -0.77 2.57 3.38 -0.98 -3.05 115.31 117.70 3i8u h LEU 226 Ca 0.13 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3i8u h LEU 226 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3i8u h LEU 226 CO -0.03 0.72 -0.20 -0.33 0.09 0.00 0.00 178.44 178.69 3i8u h GLU 227 N 0.73 0.71 0.00 1.13 5.08 -0.55 -0.46 114.58 121.22 3i8u h GLU 227 Ca 0.18 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3i8u h GLU 227 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i8u h GLU 227 CO -0.01 0.86 -0.13 0.87 -1.00 0.00 0.00 179.01 179.60 3i8u h LYS 228 N 0.63 0.00 0.00 2.33 1.79 -1.00 0.76 116.57 121.07 3i8u h LYS 228 Ca 0.09 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.22 3i8u h LYS 228 Cb 0.69 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 3i8u h LYS 228 CO 0.05 0.13 -2.18 0.00 -1.08 0.00 0.00 179.45 176.38 3i8u n ALA 229 N -2.23 1.53 0.00 3.86 0.00 -0.98 -4.01 120.51 118.68 3i8u n ALA 229 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3i8u n ALA 229 Cb 0.30 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3i8u n ALA 229 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8u n PHE 230 N -2.82 0.00 0.00 0.00 3.01 -0.22 -2.35 117.46 115.08 3i8u n PHE 230 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 3i8u n PHE 230 Cb 1.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.58 3i8u n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8u n GLY 231 N 0.71 0.41 0.13 1.37 0.00 0.25 -4.45 105.19 103.62 3i8u n GLY 231 Ca 0.00 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3i8u n GLY 231 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i8u h GLU 232 N 0.00 0.36 -0.44 1.61 4.81 -1.92 -1.46 114.58 117.54 3i8u h GLU 232 Ca 0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3i8u h GLU 232 Cb 0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3i8u h GLU 232 CO 0.00 0.32 -0.02 0.00 -0.73 0.00 0.00 179.01 178.58 3i8u h ALA 233 N 1.02 0.59 -0.58 2.92 0.00 -1.99 -0.92 119.26 120.30 3i8u h ALA 233 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3i8u h ALA 233 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i8u h ALA 233 CO -0.01 0.39 0.14 2.35 0.00 0.00 0.00 179.25 182.12 3i8u h TRP 234 N 0.62 0.98 -0.76 0.00 7.01 -1.75 -2.01 115.95 120.04 3i8u h TRP 234 Ca 0.12 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3i8u h TRP 234 Cb 0.52 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 3i8u h TRP 234 CO 0.04 0.84 0.34 0.00 -2.79 0.00 0.00 178.44 176.87 3i8u h ALA 235 N 1.03 0.98 -0.47 2.65 0.00 -1.02 0.32 119.26 122.75 3i8u h ALA 235 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3i8u h ALA 235 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i8u h ALA 235 CO 0.00 0.57 0.01 1.49 0.00 0.00 0.00 179.25 181.33 3i8u h GLU 236 N 1.08 0.82 -0.62 0.00 4.57 -0.96 -0.02 114.58 119.45 3i8u h GLU 236 Ca 0.26 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3i8u h GLU 236 Cb 0.16 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3i8u h GLU 236 CO -0.03 0.86 0.35 0.00 -1.18 0.00 0.00 179.01 179.02 3i8u h ARG 237 N 0.67 0.86 -0.32 1.92 3.08 -1.12 -1.68 114.38 117.80 3i8u h ARG 237 Ca 0.13 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3i8u h ARG 237 Cb 0.49 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3i8u h ARG 237 CO 0.02 0.64 -0.08 -0.92 -1.07 0.00 0.00 179.97 178.57 3i8u h TYR 238 N 0.84 0.69 -0.54 3.04 3.20 -0.56 0.11 116.97 123.75 3i8u h TYR 238 Ca 0.22 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3i8u h TYR 238 Cb 0.02 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3i8u h TYR 238 CO -0.01 0.79 -0.09 0.52 -1.64 0.00 0.00 178.16 177.73 3i8u h MET 239 N 0.39 1.01 0.00 1.82 2.86 -0.97 -0.42 114.93 119.61 3i8u h MET 239 Ca 0.08 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3i8u h MET 239 Cb 0.57 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3i8u h MET 239 CO 0.03 1.04 -0.93 0.43 1.06 0.00 0.00 176.91 178.55 3i8u n SER 240 N -4.15 0.79 -0.04 1.22 7.64 -0.64 -1.47 113.62 116.98 3i8u n SER 240 Ca 0.02 0.23 -0.04 0.00 1.01 0.00 0.00 58.87 60.09 3i8u n SER 240 Cb 0.39 0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 3i8u n SER 240 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8u n GLN 241 N -2.49 2.16 -0.13 1.43 1.13 0.37 -3.80 117.38 116.06 3i8u n GLN 241 Ca 0.01 0.01 -0.26 0.00 -1.94 0.00 0.00 57.00 54.82 3i8u n GLN 241 Cb 0.52 -1.19 -0.09 0.00 0.11 0.00 0.00 30.24 29.59 3i8u n GLN 241 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i8u n VAL 242 N -2.40 1.52 -0.06 5.09 0.31 -0.32 -4.62 118.33 117.86 3i8u n VAL 242 Ca -0.13 -0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 3i8u n VAL 242 Cb 0.73 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 3i8u n VAL 242 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i8u h LEU 243 N -0.99 0.00 -5.76 7.52 3.38 -1.26 -3.42 115.31 114.78 3i8u h LEU 243 Ca -0.58 -0.27 -0.56 0.00 0.09 0.00 0.00 57.88 56.56 3i8u h LEU 243 Cb 1.51 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.85 3i8u h LEU 243 CO -0.35 0.65 -0.82 0.49 0.09 0.00 0.00 178.44 178.50 3i8u n PHE 244 N -4.73 2.49 -2.34 1.13 3.01 -0.54 -5.04 117.46 111.45 3i8u n PHE 244 Ca -0.03 -3.94 -0.42 0.00 1.01 0.00 0.00 57.45 54.07 3i8u n PHE 244 Cb 0.14 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.11 3i8u n PHE 244 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3i8u s ASP 245 N -2.70 7.02 -0.36 4.37 -4.77 -1.25 -4.66 116.67 114.31 3i8u s ASP 245 Ca 0.43 2.18 -0.22 0.00 -3.30 0.00 0.00 52.55 51.64 3i8u s ASP 245 Cb 0.25 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 39.50 3i8u s ASP 245 CO -0.09 -0.47 0.73 -0.69 0.70 0.00 0.00 175.17 175.34 3i8u s VAL 246 N 0.60 4.79 0.50 2.11 1.01 -1.26 -4.94 120.40 123.21 3i8u s VAL 246 Ca 0.58 0.76 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 3i8u s VAL 246 Cb -0.33 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 3i8u s VAL 246 CO 0.33 -0.39 1.08 0.27 0.00 0.00 0.00 175.10 176.38 3i8u s ILE 247 N 2.95 3.53 0.00 2.22 -4.36 -1.26 -5.11 121.20 119.17 3i8u s ILE 247 Ca 0.29 0.97 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 3i8u s ILE 247 Cb -0.14 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.17 3i8u s ILE 247 CO 0.16 -0.19 0.00 1.67 0.24 0.00 0.00 174.94 176.83