#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f0m h SER 7 N 0.00 0.00 0.00 1.96 4.64 -2.01 -3.46 113.55 114.68 3f0m h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f0m h SER 7 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3f0m h SER 7 CO 0.00 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 3f0m n LEU 8 N -3.31 0.40 0.26 5.97 4.77 -1.26 -4.86 117.00 118.97 3f0m n LEU 8 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3f0m n LEU 8 Cb 0.21 -0.86 0.63 0.00 -2.33 0.00 0.00 43.42 41.07 3f0m n LEU 8 CO 0.26 -0.27 0.95 0.71 -1.33 0.00 0.00 177.39 177.71 3f0m h THR 9 N 0.00 0.14 -0.16 -5.08 1.35 -2.06 -2.58 112.91 104.52 3f0m h THR 9 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3f0m h THR 9 Cb 0.15 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3f0m h THR 9 CO 0.00 0.05 0.00 0.59 -0.25 0.00 0.00 175.52 175.91 3f0m n ASN 10 N -3.17 1.94 -4.68 5.36 3.02 -1.26 -4.92 115.26 111.54 3f0m n ASN 10 Ca 0.00 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 3f0m n ASN 10 Cb 0.34 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3f0m n ASN 10 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3f0m s SER 11 N -1.65 7.01 0.30 6.41 0.15 -0.98 -4.91 113.70 120.04 3f0m s SER 11 Ca 0.34 1.78 0.11 0.00 0.70 0.00 0.00 55.95 58.87 3f0m s SER 11 Cb 0.19 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.41 3f0m s SER 11 CO 0.28 -0.64 1.68 0.77 1.20 0.00 0.00 173.24 176.53 3f0m h SER 12 N 7.70 0.02 0.48 5.45 4.64 -1.91 -3.31 113.55 126.63 3f0m h SER 12 Ca -0.32 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.69 3f0m h SER 12 Cb 1.14 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3f0m h SER 12 CO 0.91 0.55 -1.46 -0.07 -0.87 0.00 0.00 176.83 175.89 3f0m h LEU 13 N 0.02 0.43 -0.73 5.97 3.38 -1.97 -3.40 115.31 119.01 3f0m h LEU 13 Ca -0.00 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.57 3f0m h LEU 13 Cb 0.95 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.43 3f0m h LEU 13 CO 0.07 1.45 -0.05 0.24 0.09 0.00 0.00 178.44 180.24 3f0m h MET 14 N 0.08 0.07 -0.02 1.13 2.86 -1.91 -0.83 114.93 116.30 3f0m h MET 14 Ca -0.22 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3f0m h MET 14 Cb 2.02 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.66 3f0m h MET 14 CO 0.18 0.04 0.03 -1.35 1.06 0.00 0.00 176.91 176.87 3f0m h PRO 15 N 0.07 0.00 -0.20 -0.22 0.11 -1.78 -2.47 132.00 127.51 3f0m h PRO 15 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3f0m h PRO 15 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3f0m h PRO 15 CO -0.68 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.36 3f0m n THR 16 N -3.62 0.31 -3.10 -1.15 -2.24 -0.33 -5.00 114.28 99.15 3f0m n THR 16 Ca -0.02 -0.66 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 3f0m n THR 16 Cb 0.11 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 3f0m n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3f0m s LEU 17 N -1.40 3.91 0.29 3.22 1.43 -0.93 -5.03 118.68 120.17 3f0m s LEU 17 Ca 0.28 0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 53.89 3f0m s LEU 17 Cb 0.17 -3.65 -0.14 0.00 0.03 0.00 0.00 46.19 42.60 3f0m s LEU 17 CO 0.25 -0.34 0.80 -3.20 0.23 0.00 0.00 176.35 174.09 3f0m n ASN 18 N -1.46 0.24 0.12 2.29 2.85 -1.26 -4.66 115.26 113.38 3f0m n ASN 18 Ca -0.01 1.12 0.03 0.00 -0.11 0.00 0.00 54.58 55.61 3f0m n ASN 18 Cb 0.55 -1.17 0.43 0.00 1.24 0.00 0.00 39.78 40.83 3f0m n ASN 18 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3f0m h PRO 19 N 1.51 0.26 -0.63 1.20 0.11 -1.97 -0.23 132.00 132.26 3f0m h PRO 19 Ca -0.37 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 3f0m h PRO 19 Cb 1.38 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3f0m h PRO 19 CO 0.58 0.32 0.07 1.98 -0.21 0.00 0.00 178.00 180.74 3f0m h MET 20 N 0.26 1.06 -0.71 1.05 4.05 -1.98 -0.87 114.93 117.78 3f0m h MET 20 Ca 0.06 -0.30 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 3f0m h MET 20 Cb 0.24 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 3f0m h MET 20 CO 0.01 1.00 0.17 0.82 0.23 0.00 0.00 176.91 179.14 3f0m h ILE 21 N 0.97 1.26 -0.37 1.77 2.04 -1.53 -0.81 117.51 120.84 3f0m h ILE 21 Ca 0.19 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3f0m h ILE 21 Cb 0.48 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3f0m h ILE 21 CO 0.02 0.38 0.23 1.56 0.00 0.00 0.00 178.15 180.34 3f0m h GLN 22 N 1.07 0.49 -0.58 2.37 4.20 -0.75 0.64 115.11 122.56 3f0m h GLN 22 Ca 0.22 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3f0m h GLN 22 Cb 0.38 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3f0m h GLN 22 CO 0.00 0.35 0.05 1.96 -0.67 0.00 0.00 178.83 180.52 3f0m h GLN 23 N 0.49 0.96 -0.41 1.46 1.08 -0.88 -1.37 115.11 116.44 3f0m h GLN 23 Ca 0.13 -0.26 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 3f0m h GLN 23 Cb -0.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3f0m h GLN 23 CO -0.03 0.92 -0.04 1.25 -0.95 0.00 0.00 178.83 179.99 3f0m h LEU 24 N 0.90 0.74 -0.65 1.46 5.85 -0.88 0.39 115.31 123.11 3f0m h LEU 24 Ca 0.17 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3f0m h LEU 24 Cb 0.46 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3f0m h LEU 24 CO 0.02 0.89 0.39 0.00 -0.34 0.00 0.00 178.44 179.40 3f0m h ALA 25 N 0.87 0.86 -0.58 1.25 0.00 -0.70 0.22 119.26 121.18 3f0m h ALA 25 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3f0m h ALA 25 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3f0m h ALA 25 CO 0.03 0.12 0.04 1.25 0.00 0.00 0.00 179.25 180.68 3f0m h LEU 26 N 0.75 0.97 -0.78 0.00 5.85 -1.02 -0.95 115.31 120.13 3f0m h LEU 26 Ca 0.27 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3f0m h LEU 26 Cb 0.08 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3f0m h LEU 26 CO -0.13 1.02 0.44 0.00 -0.34 0.00 0.00 178.44 179.43 3f0m h ALA 27 N 0.98 1.00 0.06 1.25 0.00 -0.46 0.18 119.26 122.27 3f0m h ALA 27 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3f0m h ALA 27 Cb 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3f0m h ALA 27 CO 0.02 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.57 3f0m h ILE 28 N 1.08 1.14 -0.89 0.00 2.04 -0.78 -1.46 117.51 118.63 3f0m h ILE 28 Ca 0.28 -0.64 0.11 0.00 1.00 0.00 0.00 64.86 65.61 3f0m h ILE 28 Cb 0.01 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3f0m h ILE 28 CO -0.05 0.16 0.52 0.00 0.00 0.00 0.00 178.15 178.78 3f0m h ALA 29 N 0.56 1.31 -0.67 1.87 0.00 -1.03 -1.62 119.26 119.68 3f0m h ALA 29 Ca -0.01 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3f0m h ALA 29 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3f0m h ALA 29 CO 0.01 0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.50 3f0m h ALA 30 N 1.50 0.96 -0.11 0.00 0.00 -0.49 -0.24 119.26 120.89 3f0m h ALA 30 Ca 0.44 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3f0m h ALA 30 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3f0m h ALA 30 CO -0.27 0.66 -0.24 0.66 0.00 0.00 0.00 179.25 180.06 3f0m h SER 31 N 1.03 0.18 1.23 0.00 4.64 -0.46 -2.92 113.55 117.25 3f0m h SER 31 Ca 0.21 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3f0m h SER 31 Cb 0.40 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3f0m h SER 31 CO 0.01 0.43 -0.75 -0.50 -0.87 0.00 0.00 176.83 175.14 3f0m h TRP 32 N 0.17 0.00 -0.73 4.77 6.55 -0.60 -3.42 115.95 122.70 3f0m h TRP 32 Ca 0.03 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.93 3f0m h TRP 32 Cb 0.52 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.77 3f0m h TRP 32 CO 0.01 0.00 0.48 -0.56 -1.05 0.00 0.00 178.44 177.31 3f0m h GLN 33 N 0.00 0.74 -0.73 0.49 3.07 -0.86 -1.74 115.11 116.09 3f0m h GLN 33 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 3f0m h GLN 33 Cb 0.99 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.39 3f0m h GLN 33 CO 0.00 0.49 0.00 0.43 0.09 0.00 0.00 178.83 179.84 3f0m n SER 34 N -4.48 4.10 -4.86 0.06 7.64 -1.26 -4.97 113.62 109.85 3f0m n SER 34 Ca 0.11 -2.07 -0.30 0.00 1.01 0.00 0.00 58.87 57.61 3f0m n SER 34 Cb 0.22 -0.51 0.06 0.00 -1.01 0.00 0.00 64.21 62.98 3f0m n SER 34 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3f0m s LEU 35 N -1.14 2.78 -1.42 -3.43 1.43 -0.65 -4.92 118.68 111.33 3f0m s LEU 35 Ca 0.50 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 3f0m s LEU 35 Cb 0.27 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.67 3f0m s LEU 35 CO 0.32 -1.57 2.11 -0.81 0.23 0.00 0.00 176.35 176.63 3f0m n PRO 36 N -3.16 2.95 -2.52 1.29 -0.04 -1.26 -4.92 135.00 127.33 3f0m n PRO 36 Ca 0.07 -2.78 -0.37 0.00 -0.04 0.00 0.00 63.50 60.38 3f0m n PRO 36 Cb 0.57 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 3f0m n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f0m s LEU 37 N 2.62 4.14 0.07 1.53 1.43 -1.26 -4.50 118.68 122.71 3f0m s LEU 37 Ca 0.48 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 3f0m s LEU 37 Cb 0.12 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 3f0m s LEU 37 CO -0.05 -0.51 -0.11 -0.54 0.23 0.00 0.00 176.35 175.37 3f0m s LYS 38 N -2.48 0.72 0.72 1.70 -0.14 0.06 -4.96 119.74 115.36 3f0m s LYS 38 Ca 0.58 -0.95 -0.15 0.00 -1.36 0.00 0.00 55.97 54.09 3f0m s LYS 38 Cb -0.23 -0.53 0.03 0.00 -1.68 0.00 0.00 37.83 35.42 3f0m s LYS 38 CO 0.29 0.10 1.19 -1.25 -0.76 0.00 0.00 175.35 174.91 3f0m s PRO 39 N -2.03 2.25 -0.17 -1.68 0.04 -1.26 -0.47 135.00 131.68 3f0m s PRO 39 Ca -0.03 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.71 3f0m s PRO 39 Cb -0.08 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3f0m s PRO 39 CO 0.01 -1.73 -0.14 -0.47 0.04 0.00 0.00 177.00 174.71 3f0m s TYR 40 N -2.06 2.39 -0.31 0.56 5.04 -0.82 -4.49 117.35 117.66 3f0m s TYR 40 Ca 0.73 -1.45 -0.28 0.00 -2.44 0.00 0.00 57.07 53.62 3f0m s TYR 40 Cb -0.27 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.37 3f0m s TYR 40 CO 0.45 -0.73 1.04 -0.65 -1.34 0.00 0.00 175.55 174.32 3f0m s GLN 41 N 1.41 4.06 0.93 4.97 -0.21 -1.26 -4.59 119.66 124.97 3f0m s GLN 41 Ca 0.03 1.03 -0.12 0.00 0.02 0.00 0.00 55.36 56.32 3f0m s GLN 41 Cb -0.14 -3.73 0.15 0.00 1.00 0.00 0.00 33.01 30.29 3f0m s GLN 41 CO -0.10 -0.86 1.09 -0.51 -2.12 0.00 0.00 175.29 172.79 3f0m s LEU 42 N 3.55 2.13 0.28 2.90 2.01 -1.26 -4.85 118.68 123.43 3f0m s LEU 42 Ca 0.44 1.55 -0.29 0.00 0.01 0.00 0.00 54.13 55.85 3f0m s LEU 42 Cb -0.13 -3.91 -0.14 0.00 0.01 0.00 0.00 46.19 42.03 3f0m s LEU 42 CO 0.14 -2.88 1.04 -2.65 1.01 0.00 0.00 176.35 173.02 3f0m n PRO 43 N -4.05 1.37 -2.06 1.29 -0.02 -1.26 -0.43 135.00 129.84 3f0m n PRO 43 Ca 0.07 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 3f0m n PRO 43 Cb 0.55 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 3f0m n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f0m n GLU 44 N 0.86 -1.81 -4.19 -0.52 1.02 -1.26 -1.96 120.64 112.78 3f0m n GLU 44 Ca 0.10 0.76 -0.31 0.00 -0.02 0.00 0.00 57.16 57.69 3f0m n GLU 44 Cb 0.31 -5.25 -0.05 0.00 -0.02 0.00 0.00 31.44 26.43 3f0m n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3f0m n ASP 45 N -1.42 -0.68 -4.73 1.62 4.64 0.42 -4.84 116.55 111.57 3f0m n ASP 45 Ca -0.16 -1.12 -0.42 0.00 -1.38 0.00 0.00 54.79 51.70 3f0m n ASP 45 Cb 0.58 -2.36 -0.01 0.00 -1.04 0.00 0.00 41.12 38.28 3f0m n ASP 45 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3f0m n LEU 46 N -4.42 4.04 0.00 -2.67 7.94 -0.83 -4.87 117.00 116.19 3f0m n LEU 46 Ca -0.19 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 3f0m n LEU 46 Cb 0.62 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3f0m n LEU 46 CO 0.83 -0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.65 3f0m n GLY 47 N 1.70 1.59 3.76 -3.96 0.00 -1.26 -4.65 105.19 102.38 3f0m n GLY 47 Ca 0.08 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3f0m n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f0m s TYR 48 N 1.60 3.73 -0.07 1.61 6.14 -1.26 -2.94 117.35 126.16 3f0m s TYR 48 Ca 0.00 1.80 -0.12 0.00 0.64 0.00 0.00 57.07 59.39 3f0m s TYR 48 Cb 0.00 -3.07 0.03 0.00 0.42 0.00 0.00 41.96 39.33 3f0m s TYR 48 CO 0.00 -0.00 0.30 0.54 0.64 0.00 0.00 175.55 177.03 3f0m s VAL 49 N -1.31 0.03 0.01 3.14 0.11 -0.24 -5.01 120.40 117.13 3f0m s VAL 49 Ca 0.46 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.27 3f0m s VAL 49 Cb -0.26 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 3f0m s VAL 49 CO 0.32 -0.12 0.02 -0.70 -3.33 0.00 0.00 175.10 171.29 3f0m s GLU 50 N -0.48 0.34 0.05 1.54 2.12 -1.26 -0.28 118.70 120.73 3f0m s GLU 50 Ca -0.06 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 3f0m s GLU 50 Cb -0.04 0.13 0.05 0.00 0.26 0.00 0.00 34.13 34.53 3f0m s GLU 50 CO 0.02 -0.06 0.48 0.20 -0.54 0.00 0.00 175.26 175.35 3f0m s GLY 51 N -1.36 -0.37 -0.03 -1.50 0.00 -0.46 -5.01 107.32 98.60 3f0m s GLY 51 Ca -0.15 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 3f0m s GLY 51 CO -0.00 0.19 0.22 -1.60 0.00 0.00 0.00 173.10 171.91 3f0m s ARG 52 N -2.47 0.48 0.00 2.90 3.52 -1.06 -0.82 118.95 121.50 3f0m s ARG 52 Ca -0.05 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 3f0m s ARG 52 Cb -0.01 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 3f0m s ARG 52 CO -0.02 -0.11 0.00 1.28 -0.81 0.00 0.00 175.30 175.64 3f0m n LEU 53 N 1.83 0.00 -0.21 -0.88 4.77 -1.19 -4.87 117.00 116.45 3f0m n LEU 53 Ca -0.19 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.90 3f0m n LEU 53 Cb 0.56 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.77 3f0m n LEU 53 CO 0.20 0.00 0.34 -0.62 -1.33 0.00 0.00 177.39 175.98 3f0m n GLU 54 N 0.00 0.57 0.00 3.23 -0.58 -1.26 -4.93 120.64 117.67 3f0m n GLU 54 Ca 0.00 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 3f0m n GLU 54 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3f0m n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f0m n GLY 55 N 1.44 1.93 3.88 0.62 0.00 -1.26 -5.14 105.19 106.66 3f0m n GLY 55 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3f0m n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f0m s GLU 56 N 3.57 3.68 0.25 1.61 0.41 -1.26 -5.02 118.70 121.95 3f0m s GLU 56 Ca 0.00 0.53 -0.16 0.00 -0.41 0.00 0.00 54.97 54.93 3f0m s GLU 56 Cb 0.00 -2.27 -0.08 0.00 -1.78 0.00 0.00 34.13 30.00 3f0m s GLU 56 CO 0.00 -0.26 0.69 -1.59 -0.49 0.00 0.00 175.26 173.61 3f0m s LYS 57 N -4.49 4.07 -0.17 1.61 -2.85 -1.26 -4.58 119.74 112.07 3f0m s LYS 57 Ca 0.52 0.68 -0.02 0.00 -1.00 0.00 0.00 55.97 56.15 3f0m s LYS 57 Cb -0.10 -2.68 -0.02 0.00 -2.06 0.00 0.00 37.83 32.97 3f0m s LYS 57 CO 0.41 0.30 -0.07 -1.17 0.10 0.00 0.00 175.35 174.92 3f0m s LEU 58 N -2.47 2.95 -0.08 2.77 2.96 0.00 0.22 118.68 125.04 3f0m s LEU 58 Ca 0.47 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3f0m s LEU 58 Cb -0.13 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3f0m s LEU 58 CO 0.19 0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.45 3f0m s VAL 59 N 0.69 2.55 -0.04 1.68 1.01 0.03 -1.35 120.40 124.97 3f0m s VAL 59 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3f0m s VAL 59 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3f0m s VAL 59 CO 0.02 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.97 3f0m s ILE 60 N -0.09 0.78 -0.08 2.22 1.01 0.62 -1.01 121.20 124.65 3f0m s ILE 60 Ca -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3f0m s ILE 60 Cb -0.14 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3f0m s ILE 60 CO 0.04 0.26 -0.13 -1.61 0.00 0.00 0.00 174.94 173.50 3f0m s GLU 61 N 0.43 2.87 -0.04 2.79 2.02 0.05 -1.08 118.70 125.75 3f0m s GLU 61 Ca -0.07 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.30 3f0m s GLU 61 Cb -0.11 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 3f0m s GLU 61 CO 0.01 0.47 -0.22 -0.80 0.02 0.00 0.00 175.26 174.75 3f0m s ASN 62 N -0.33 2.61 -0.01 -0.19 0.01 -1.15 -1.57 114.94 114.32 3f0m s ASN 62 Ca 0.03 -0.42 0.05 0.00 -0.71 0.00 0.00 52.86 51.81 3f0m s ASN 62 Cb -0.13 -0.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.98 3f0m s ASN 62 CO 0.02 0.23 -0.15 -0.13 -1.51 0.00 0.00 177.10 175.57 3f0m s ARG 63 N -0.25 1.18 -0.14 -0.60 0.52 -0.14 -4.76 118.95 114.75 3f0m s ARG 63 Ca 0.01 -0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3f0m s ARG 63 Cb -0.11 -1.15 0.05 0.00 0.52 0.00 0.00 34.95 34.26 3f0m s ARG 63 CO 0.01 0.31 0.35 0.00 0.02 0.00 0.00 175.30 176.00 3f0m s TYR 65 N 1.03 1.74 0.09 0.00 2.02 -0.18 -1.95 117.35 120.09 3f0m s TYR 65 Ca -0.07 -1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 55.20 3f0m s TYR 65 Cb -0.07 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3f0m s TYR 65 CO -0.08 -0.41 0.24 1.14 -1.57 0.00 0.00 175.55 174.87 3f0m s GLN 66 N -3.73 0.88 0.31 -0.62 -2.07 0.38 0.32 119.66 115.13 3f0m s GLN 66 Ca 0.30 -0.86 0.06 0.00 -1.82 0.00 0.00 55.36 53.04 3f0m s GLN 66 Cb 0.04 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 3f0m s GLN 66 CO 0.17 -0.29 0.24 0.95 -1.32 0.00 0.00 175.29 175.04 3f0m s THR 67 N -3.68 0.04 0.44 3.63 -4.23 -0.48 -0.76 115.64 110.59 3f0m s THR 67 Ca 0.03 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.75 3f0m s THR 67 Cb 0.04 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.61 3f0m s THR 67 CO -0.10 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.36 3f0m h PRO 68 N 2.21 0.00 0.00 3.99 0.11 -2.00 -2.72 132.00 133.59 3f0m h PRO 68 Ca -0.28 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.66 3f0m h PRO 68 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3f0m h PRO 68 CO 0.41 0.16 -1.39 1.96 -0.21 0.00 0.00 178.00 178.92 3f0m h GLN 69 N 0.00 0.00 -4.86 1.05 7.50 -1.94 -3.44 115.11 113.42 3f0m h GLN 69 Ca -0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3f0m h GLN 69 Cb 0.33 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 27.52 3f0m h GLN 69 CO 0.02 0.32 -0.76 -0.06 -1.50 0.00 0.00 178.83 176.85 3f0m s PHE 70 N -2.89 3.19 0.28 2.96 2.99 -1.03 -0.73 117.98 122.75 3f0m s PHE 70 Ca -0.03 -1.96 0.01 0.00 0.00 0.00 0.00 56.93 54.95 3f0m s PHE 70 Cb 0.09 -2.02 0.54 0.00 0.00 0.00 0.00 43.02 41.63 3f0m s PHE 70 CO 0.81 -0.82 1.83 -0.09 -0.00 0.00 0.00 175.22 176.95 3f0m h ARG 71 N 7.91 0.94 -2.05 0.44 2.43 -0.76 -1.28 114.38 122.01 3f0m h ARG 71 Ca -0.24 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3f0m h ARG 71 Cb 1.07 -0.21 -0.21 0.00 -0.42 0.00 0.00 29.97 30.20 3f0m h ARG 71 CO 0.52 0.62 -0.10 0.21 -1.51 0.00 0.00 179.97 179.72 3f0m s LYS 72 N -5.97 0.60 -0.30 0.20 2.20 -1.07 -4.67 119.74 110.74 3f0m s LYS 72 Ca -0.12 1.34 0.03 0.00 -0.36 0.00 0.00 55.97 56.85 3f0m s LYS 72 Cb 0.22 0.57 0.08 0.00 -1.51 0.00 0.00 37.83 37.19 3f0m s LYS 72 CO 0.81 -0.18 -0.01 -1.64 -0.36 0.00 0.00 175.35 173.96 3f0m s MET 73 N 2.41 1.65 -0.23 4.03 -1.94 0.15 -0.30 119.30 125.06 3f0m s MET 73 Ca -0.07 -1.50 -0.04 0.00 -1.71 0.00 0.00 55.69 52.37 3f0m s MET 73 Cb -0.09 -2.89 -0.00 0.00 2.01 0.00 0.00 34.83 33.85 3f0m s MET 73 CO -0.19 -0.78 -0.04 -1.58 -0.01 0.00 0.00 175.02 172.43 3f0m s HIS 74 N 1.11 2.99 -0.18 -0.03 5.04 -0.07 -1.01 115.29 123.14 3f0m s HIS 74 Ca 0.02 -1.05 -0.02 0.00 -1.54 0.00 0.00 55.06 52.47 3f0m s HIS 74 Cb -0.19 -2.11 -0.01 0.00 0.04 0.00 0.00 32.58 30.31 3f0m s HIS 74 CO -0.08 -0.59 -0.10 -1.17 -2.34 0.00 0.00 174.74 170.46 3f0m s LEU 75 N 1.45 2.70 -0.02 8.88 2.96 -0.23 -1.97 118.68 132.46 3f0m s LEU 75 Ca 0.05 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3f0m s LEU 75 Cb -0.15 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3f0m s LEU 75 CO -0.03 0.05 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.17 3f0m s GLU 76 N 1.03 1.53 -0.02 1.98 2.12 0.81 -0.96 118.70 125.19 3f0m s GLU 76 Ca -0.01 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.75 3f0m s GLU 76 Cb -0.15 -1.46 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 3f0m s GLU 76 CO -0.02 0.37 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.31 3f0m s LEU 77 N -0.36 2.06 0.04 2.70 1.43 -0.61 -1.10 118.68 122.83 3f0m s LEU 77 Ca 0.05 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 3f0m s LEU 77 Cb -0.08 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.83 3f0m s LEU 77 CO -0.00 0.31 0.19 0.00 0.23 0.00 0.00 176.35 177.08 3f0m s ALA 78 N -0.61 -0.37 -0.03 4.21 0.00 0.13 -0.77 121.76 124.32 3f0m s ALA 78 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 3f0m s ALA 78 Cb -0.10 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3f0m s ALA 78 CO -0.01 -0.35 0.06 0.15 0.00 0.00 0.00 175.76 175.60 3f0m s LYS 79 N -2.49 0.02 -0.25 0.00 1.02 -0.18 -0.42 119.74 117.43 3f0m s LYS 79 Ca -0.06 0.17 -0.08 0.00 0.02 0.00 0.00 55.97 56.02 3f0m s LYS 79 Cb -0.01 -0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 3f0m s LYS 79 CO -0.03 -0.11 0.11 0.08 -0.92 0.00 0.00 175.35 174.47 3f0m s VAL 80 N 0.71 4.71 0.00 3.17 1.01 0.54 -0.79 120.40 129.74 3f0m s VAL 80 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3f0m s VAL 80 Cb -0.08 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3f0m s VAL 80 CO -0.02 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3f0m n GLY 81 N 4.69 2.53 0.11 4.51 0.00 0.13 -1.90 105.19 115.27 3f0m n GLY 81 Ca -0.16 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.84 3f0m n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f0m n LYS 82 N 14.00 0.62 0.00 1.61 4.76 -1.26 -4.72 118.16 133.17 3f0m n LYS 82 Ca 0.00 -0.22 0.11 0.00 -2.87 0.00 0.00 58.31 55.32 3f0m n LYS 82 Cb 0.00 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.71 3f0m n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f0m n GLY 83 N 1.45 -0.44 3.29 0.72 0.00 -0.80 -4.81 105.19 104.60 3f0m n GLY 83 Ca 0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 3f0m n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f0m s LEU 84 N -2.71 -0.76 -0.06 0.99 2.96 -1.02 -3.91 118.68 114.17 3f0m s LEU 84 Ca 0.14 1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3f0m s LEU 84 Cb 0.17 1.52 -0.03 0.00 0.50 0.00 0.00 46.19 48.35 3f0m s LEU 84 CO 0.70 -0.24 0.01 -1.81 -1.32 0.00 0.00 176.35 173.69 3f0m s ASP 85 N 2.66 5.25 -0.01 3.68 1.01 0.67 -0.34 116.67 129.59 3f0m s ASP 85 Ca 0.00 0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.37 3f0m s ASP 85 Cb -0.13 -1.45 0.01 0.00 1.01 0.00 0.00 42.92 42.36 3f0m s ASP 85 CO -0.14 0.34 -0.01 -0.63 0.21 0.00 0.00 175.17 174.94 3f0m s ILE 86 N -0.96 0.15 -0.10 0.77 1.01 0.44 -0.74 121.20 121.77 3f0m s ILE 86 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3f0m s ILE 86 Cb -0.11 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 3f0m s ILE 86 CO 0.05 0.09 -0.15 -0.22 0.00 0.00 0.00 174.94 174.71 3f0m s LEU 87 N 0.44 2.64 -0.04 2.97 0.20 -0.09 -0.70 118.68 124.11 3f0m s LEU 87 Ca -0.04 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.49 3f0m s LEU 87 Cb -0.07 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 3f0m s LEU 87 CO -0.01 0.23 -0.09 -2.28 -0.29 0.00 0.00 176.35 173.91 3f0m s HIS 88 N -0.06 1.03 -0.13 5.38 5.65 -0.26 -1.14 115.29 125.76 3f0m s HIS 88 Ca -0.03 -0.30 -0.07 0.00 0.25 0.00 0.00 55.06 54.92 3f0m s HIS 88 Cb -0.14 -0.77 0.05 0.00 -1.18 0.00 0.00 32.58 30.54 3f0m s HIS 88 CO 0.04 -0.16 0.30 0.00 -0.65 0.00 0.00 174.74 174.28 3f0m s VAL 90 N 1.41 0.82 -0.39 0.00 1.01 -0.83 -0.79 120.40 121.62 3f0m s VAL 90 Ca -0.09 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3f0m s VAL 90 Cb -0.10 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3f0m s VAL 90 CO -0.10 0.25 0.23 -0.04 0.00 0.00 0.00 175.10 175.44 3f0m s MET 91 N 0.03 2.75 -0.20 2.72 -1.94 0.24 -0.89 119.30 122.01 3f0m s MET 91 Ca -0.01 -1.23 -0.22 0.00 -1.71 0.00 0.00 55.69 52.53 3f0m s MET 91 Cb -0.07 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.99 3f0m s MET 91 CO 0.00 -0.80 0.70 -0.06 -0.01 0.00 0.00 175.02 174.85 3f0m s PHE 92 N 1.51 3.38 0.48 -0.03 0.40 0.59 -2.97 117.98 121.33 3f0m s PHE 92 Ca 0.02 1.03 -0.21 0.00 -0.60 0.00 0.00 56.93 57.17 3f0m s PHE 92 Cb -0.21 -2.88 -0.08 0.00 0.51 0.00 0.00 43.02 40.37 3f0m s PHE 92 CO 0.05 -0.21 1.06 -1.25 0.70 0.00 0.00 175.22 175.57 3f0m s PRO 93 N 2.07 3.76 -0.11 0.24 0.04 -1.26 -0.23 135.00 139.51 3f0m s PRO 93 Ca 0.32 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 3f0m s PRO 93 Cb -0.16 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3f0m s PRO 93 CO 0.11 -0.48 1.46 -1.21 0.04 0.00 0.00 177.00 176.92 3f0m s GLU 94 N -3.11 4.19 0.49 4.56 0.41 0.09 -4.16 118.70 121.17 3f0m s GLU 94 Ca 0.67 1.91 0.23 0.00 -0.41 0.00 0.00 54.97 57.37 3f0m s GLU 94 Cb -0.19 -3.88 1.28 0.00 -1.78 0.00 0.00 34.13 29.56 3f0m s GLU 94 CO 0.23 -0.79 1.96 -1.35 -0.49 0.00 0.00 175.26 174.81 3f0m h PRO 95 N 8.92 0.14 -1.03 0.39 0.11 -1.89 -1.42 132.00 137.23 3f0m h PRO 95 Ca -0.33 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.05 3f0m h PRO 95 Cb 1.14 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 3f0m h PRO 95 CO 0.96 0.09 0.70 1.25 -0.21 0.00 0.00 178.00 180.80 3f0m h LEU 96 N 0.15 0.24 -0.62 2.35 5.85 -1.92 -0.36 115.31 121.01 3f0m h LEU 96 Ca 0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3f0m h LEU 96 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3f0m h LEU 96 CO -0.05 0.06 -0.61 -1.22 -0.34 0.00 0.00 178.44 176.28 3f0m n TYR 97 N -4.43 0.00 -2.03 1.25 4.01 -0.54 -0.44 117.16 114.99 3f0m n TYR 97 Ca 0.23 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.79 3f0m n TYR 97 Cb 0.96 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.93 3f0m n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f0m n GLY 98 N 1.44 0.48 3.83 2.72 0.00 -0.15 -4.76 105.19 108.74 3f0m n GLY 98 Ca 0.08 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3f0m n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f0m s LEU 99 N -4.86 3.62 1.03 0.99 1.43 -1.26 -4.92 118.68 114.70 3f0m s LEU 99 Ca 0.00 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 3f0m s LEU 99 Cb 0.00 -4.52 0.21 0.00 0.03 0.00 0.00 46.19 41.90 3f0m s LEU 99 CO 0.00 -0.76 1.17 -2.16 0.23 0.00 0.00 176.35 174.83 3f0m s PRO 100 N -3.96 0.18 -0.25 1.29 0.04 -1.26 -4.68 135.00 126.37 3f0m s PRO 100 Ca 0.61 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.50 3f0m s PRO 100 Cb -0.12 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3f0m s PRO 100 CO 0.31 -2.79 0.43 -0.51 0.04 0.00 0.00 177.00 174.48 3f0m s LEU 101 N -6.32 4.06 -0.00 -3.56 1.43 0.05 -4.56 118.68 109.78 3f0m s LEU 101 Ca 0.69 0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 53.94 3f0m s LEU 101 Cb -0.11 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3f0m s LEU 101 CO 0.54 -0.20 0.80 0.12 0.23 0.00 0.00 176.35 177.84 3f0m s PHE 102 N 2.01 3.67 -0.01 0.29 2.19 -1.16 -0.43 117.98 124.54 3f0m s PHE 102 Ca 0.18 1.46 -0.06 0.00 0.33 0.00 0.00 56.93 58.83 3f0m s PHE 102 Cb -0.16 -2.89 0.00 0.00 -1.31 0.00 0.00 43.02 38.67 3f0m s PHE 102 CO 0.09 0.15 0.13 0.20 1.83 0.00 0.00 175.22 177.61 3f0m s GLY 103 N 0.47 0.03 -0.03 13.12 0.00 -0.40 -0.60 107.32 119.92 3f0m s GLY 103 Ca 0.41 -0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 3f0m s GLY 103 CO 0.23 -0.19 0.48 0.00 0.00 0.00 0.00 173.10 173.61 3f0m s ASN 105 N -1.25 0.72 -0.08 0.00 3.04 -0.05 -1.28 114.94 116.05 3f0m s ASN 105 Ca -0.12 0.15 0.04 0.00 0.04 0.00 0.00 52.86 52.97 3f0m s ASN 105 Cb -0.03 -0.00 -0.01 0.00 -1.54 0.00 0.00 41.25 39.67 3f0m s ASN 105 CO 0.07 -0.22 -0.22 -0.63 -3.04 0.00 0.00 177.10 173.06 3f0m s ILE 106 N 1.89 2.29 -0.07 -5.21 -1.09 -0.30 -0.90 121.20 117.81 3f0m s ILE 106 Ca 0.00 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 3f0m s ILE 106 Cb -0.12 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.89 3f0m s ILE 106 CO -0.04 0.56 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.37 3f0m s VAL 107 N -0.00 1.51 0.02 2.92 1.01 0.04 -0.91 120.40 124.99 3f0m s VAL 107 Ca -0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3f0m s VAL 107 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3f0m s VAL 107 CO 0.05 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.56 3f0m s ALA 108 N 0.42 0.16 0.12 5.51 0.00 0.08 -0.86 121.76 127.19 3f0m s ALA 108 Ca -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3f0m s ALA 108 Cb -0.16 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3f0m s ALA 108 CO 0.05 -0.18 0.02 0.41 0.00 0.00 0.00 175.76 176.06 3f0m n GLY 109 N 1.43 3.94 0.28 0.00 0.00 -0.10 -0.24 105.19 110.49 3f0m n GLY 109 Ca -0.23 -2.08 0.19 0.00 0.00 0.00 0.00 46.02 43.90 3f0m n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f0m h PRO 110 N 0.00 0.00 -0.27 1.61 0.13 -1.88 0.25 132.00 131.85 3f0m h PRO 110 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3f0m h PRO 110 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3f0m h PRO 110 CO 0.15 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.33 3f0m n GLY 111 N -0.96 0.36 0.00 1.56 0.00 -1.26 -5.04 105.19 99.85 3f0m n GLY 111 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3f0m n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f0m n GLY 112 N 1.02 -1.16 3.71 -0.02 0.00 0.08 -4.96 105.19 103.84 3f0m n GLY 112 Ca 0.12 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3f0m n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f0m s VAL 113 N -0.17 4.18 -0.17 1.61 1.01 -1.26 -0.93 120.40 124.67 3f0m s VAL 113 Ca 0.00 1.56 0.11 0.00 0.00 0.00 0.00 61.98 63.65 3f0m s VAL 113 Cb 0.00 -4.00 -0.23 0.00 0.00 0.00 0.00 36.38 32.15 3f0m s VAL 113 CO 0.00 0.11 0.18 -1.54 0.00 0.00 0.00 175.10 173.85 3f0m n SER 114 N 4.01 0.78 -3.75 3.32 3.41 -0.04 -4.33 113.62 117.02 3f0m n SER 114 Ca 0.09 0.09 -0.15 0.00 -0.26 0.00 0.00 58.87 58.64 3f0m n SER 114 Cb 0.47 0.31 -0.16 0.00 -0.26 0.00 0.00 64.21 64.57 3f0m n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f0m s ALA 115 N -2.53 -0.03 -0.15 7.33 0.00 -0.96 -4.22 121.76 121.20 3f0m s ALA 115 Ca -0.15 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3f0m s ALA 115 Cb 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.87 3f0m s ALA 115 CO 0.78 -0.16 -0.05 0.00 0.00 0.00 0.00 175.76 176.33 3f0m s ALA 116 N 1.22 1.35 -0.03 0.00 0.00 0.06 -0.78 121.76 123.57 3f0m s ALA 116 Ca -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.23 3f0m s ALA 116 Cb -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3f0m s ALA 116 CO -0.04 -0.70 -0.19 0.42 0.00 0.00 0.00 175.76 175.25 3f0m s ILE 117 N 1.69 1.56 -0.05 0.00 1.09 -0.08 -1.44 121.20 123.96 3f0m s ILE 117 Ca 0.02 -0.81 -0.18 0.00 -1.10 0.00 0.00 60.65 58.58 3f0m s ILE 117 Cb -0.15 -1.32 0.04 0.00 -1.06 0.00 0.00 42.46 39.97 3f0m s ILE 117 CO -0.08 0.44 0.40 0.00 -0.10 0.00 0.00 174.94 175.61 3f0m s ALA 118 N -0.22 -1.02 0.18 9.38 0.00 -0.66 -0.87 121.76 128.55 3f0m s ALA 118 Ca 0.01 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 3f0m s ALA 118 Cb -0.10 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3f0m s ALA 118 CO 0.01 -0.27 0.55 0.34 0.00 0.00 0.00 175.76 176.40 3f0m s ASP 119 N -0.94 -0.37 -0.34 0.00 3.68 -0.13 -1.29 116.67 117.28 3f0m s ASP 119 Ca -0.10 -0.30 -0.03 0.00 2.13 0.00 0.00 52.55 54.25 3f0m s ASP 119 Cb -0.04 0.59 0.06 0.00 -1.45 0.00 0.00 42.92 42.08 3f0m s ASP 119 CO 0.04 -1.03 0.09 -0.76 0.13 0.00 0.00 175.17 173.64 3f0m s LEU 120 N -2.82 4.39 -0.03 -1.34 1.43 -1.26 -1.27 118.68 117.78 3f0m s LEU 120 Ca 0.06 -1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 51.61 3f0m s LEU 120 Cb -0.01 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3f0m s LEU 120 CO -0.07 -0.36 0.30 -0.44 0.23 0.00 0.00 176.35 176.01 3f0m s SER 121 N 1.47 6.60 0.61 2.29 0.01 0.43 -4.30 113.70 120.81 3f0m s SER 121 Ca -0.01 0.72 -0.16 0.00 1.31 0.00 0.00 55.95 57.81 3f0m s SER 121 Cb -0.21 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3f0m s SER 121 CO -0.01 0.32 1.09 -2.16 0.41 0.00 0.00 173.24 172.89 3f0m s PRO 122 N -1.29 3.13 0.00 12.44 0.04 -1.26 -0.77 135.00 147.28 3f0m s PRO 122 Ca 0.23 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3f0m s PRO 122 Cb -0.14 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3f0m s PRO 122 CO 0.12 -0.98 0.20 0.25 0.04 0.00 0.00 177.00 176.63 3f0m n THR 123 N -2.07 0.00 -2.13 1.26 -2.24 -1.26 -4.82 114.28 103.02 3f0m n THR 123 Ca 0.10 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 3f0m n THR 123 Cb 0.52 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3f0m n THR 123 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3f0m s GLN 124 N -0.46 3.21 0.45 -0.78 -0.21 -1.26 -3.81 119.66 116.80 3f0m s GLN 124 Ca 0.00 1.57 0.21 0.00 0.02 0.00 0.00 55.36 57.16 3f0m s GLN 124 Cb 0.00 -1.99 1.06 0.00 1.00 0.00 0.00 33.01 33.08 3f0m s GLN 124 CO 0.00 -0.96 1.93 0.66 -2.12 0.00 0.00 175.29 174.80 3f0m h SER 125 N 0.91 0.00 0.00 5.90 4.64 -1.93 -1.27 113.55 121.80 3f0m h SER 125 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3f0m h SER 125 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3f0m h SER 125 CO 0.56 0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 175.86 3f0m n ASP 126 N -3.81 0.00 -1.22 4.97 3.85 -1.26 -4.89 116.55 114.19 3f0m n ASP 126 Ca -0.02 -1.04 -0.16 0.00 -0.71 0.00 0.00 54.79 52.86 3f0m n ASP 126 Cb 0.33 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.04 3f0m n ASP 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3f0m n ARG 127 N -0.88 -1.10 -4.13 0.11 1.74 -0.48 -5.00 116.66 106.93 3f0m n ARG 127 Ca 0.15 1.05 -0.29 0.00 -0.77 0.00 0.00 57.85 57.99 3f0m n ARG 127 Cb 0.07 -5.22 -0.08 0.00 -1.02 0.00 0.00 32.46 26.21 3f0m n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f0m s GLN 128 N -3.36 2.57 0.71 5.56 -1.52 -1.26 -4.81 119.66 117.55 3f0m s GLN 128 Ca 0.00 -0.87 -0.13 0.00 -1.95 0.00 0.00 55.36 52.41 3f0m s GLN 128 Cb 0.00 -2.53 0.02 0.00 -0.22 0.00 0.00 33.01 30.28 3f0m s GLN 128 CO 0.00 0.52 1.10 -0.51 -0.25 0.00 0.00 175.29 176.15 3f0m s LEU 129 N -2.47 3.24 0.67 2.90 1.43 -1.26 -4.35 118.68 118.83 3f0m s LEU 129 Ca 0.27 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 3f0m s LEU 129 Cb -0.11 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 3f0m s LEU 129 CO 0.19 -1.79 1.07 -2.65 0.23 0.00 0.00 176.35 173.40 3f0m n PRO 130 N -2.89 0.76 -0.27 1.29 -0.02 -1.26 -4.70 135.00 127.91 3f0m n PRO 130 Ca 0.10 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3f0m n PRO 130 Cb 0.52 -2.31 0.39 0.00 -0.02 0.00 0.00 33.50 32.09 3f0m n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f0m h ALA 131 N 0.12 1.86 -0.40 3.55 0.00 -2.00 -1.22 119.26 121.17 3f0m h ALA 131 Ca -0.49 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3f0m h ALA 131 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3f0m h ALA 131 CO 0.50 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 3f0m h ALA 132 N 1.60 1.13 -0.32 0.00 0.00 -2.00 -1.44 119.26 118.24 3f0m h ALA 132 Ca 0.46 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3f0m h ALA 132 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3f0m h ALA 132 CO -0.21 0.55 -0.06 1.88 0.00 0.00 0.00 179.25 181.40 3f0m h TYR 133 N 0.63 0.67 -0.27 0.00 -1.99 -1.59 -1.83 116.97 112.59 3f0m h TYR 133 Ca 0.12 -0.14 0.04 0.00 2.00 0.00 0.00 58.73 60.75 3f0m h TYR 133 Cb 0.50 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 3f0m h TYR 133 CO 0.02 0.77 0.01 1.96 -0.00 0.00 0.00 178.16 180.93 3f0m h GLN 134 N 0.38 0.09 -0.10 4.88 4.20 -1.00 0.38 115.11 123.94 3f0m h GLN 134 Ca 0.08 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3f0m h GLN 134 Cb 0.55 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3f0m h GLN 134 CO 0.03 0.06 0.02 -0.22 -0.67 0.00 0.00 178.83 178.05 3f0m h LYS 135 N 0.10 0.06 -0.30 1.46 3.64 -1.25 -1.55 116.57 118.72 3f0m h LYS 135 Ca 0.13 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3f0m h LYS 135 Cb 0.16 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3f0m h LYS 135 CO -0.21 0.04 -0.17 0.77 -2.27 0.00 0.00 179.45 177.61 3f0m h SER 136 N 0.06 0.52 -0.14 4.20 0.02 -1.08 -2.73 113.55 114.40 3f0m h SER 136 Ca 0.05 -0.15 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 3f0m h SER 136 Cb 0.04 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.45 3f0m h SER 136 CO -0.06 0.71 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.61 3f0m h LEU 137 N 0.48 0.83 -0.85 5.07 3.38 -0.76 -3.15 115.31 120.31 3f0m h LEU 137 Ca 0.08 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.44 3f0m h LEU 137 Cb 0.57 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3f0m h LEU 137 CO 0.04 1.32 0.56 0.00 0.09 0.00 0.00 178.44 180.44 3f0m h ALA 138 N 0.53 1.09 0.00 1.53 0.00 -1.19 -1.86 119.26 119.36 3f0m h ALA 138 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f0m h ALA 138 Cb 1.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3f0m h ALA 138 CO 0.14 0.44 0.10 0.93 0.00 0.00 0.00 179.25 180.86 3f0m h GLU 139 N 1.12 0.00 0.00 0.00 5.08 -1.44 -0.84 114.58 118.49 3f0m h GLU 139 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3f0m h GLU 139 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3f0m h GLU 139 CO -0.09 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.74 3f0m h LEU 140 N 0.00 0.00 0.00 1.33 3.38 -1.37 -3.50 115.31 115.15 3f0m h LEU 140 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f0m h LEU 140 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3f0m h LEU 140 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3f0m n GLY 141 N 0.27 -2.08 3.66 0.83 0.00 -0.32 -4.86 105.19 102.69 3f0m n GLY 141 Ca 0.01 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 3f0m n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f0m s GLN 142 N -2.57 4.26 0.36 1.61 -1.52 -1.26 -5.00 119.66 115.55 3f0m s GLN 142 Ca 0.00 1.46 -0.24 0.00 -1.95 0.00 0.00 55.36 54.64 3f0m s GLN 142 Cb 0.00 -3.67 -0.10 0.00 -0.22 0.00 0.00 33.01 29.02 3f0m s GLN 142 CO 0.00 -0.63 0.94 -1.25 -0.25 0.00 0.00 175.29 174.09 3f0m s PRO 143 N 3.21 4.44 -0.20 2.91 0.04 -1.26 -5.02 135.00 139.11 3f0m s PRO 143 Ca 0.48 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 3f0m s PRO 143 Cb -0.17 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3f0m s PRO 143 CO 0.10 0.17 0.21 -1.21 0.04 0.00 0.00 177.00 176.31 3f0m s GLU 144 N -2.47 4.18 -0.01 4.56 2.02 -1.26 -5.06 118.70 120.65 3f0m s GLU 144 Ca 0.54 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.45 3f0m s GLU 144 Cb -0.15 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.62 3f0m s GLU 144 CO 0.20 0.18 -0.05 -0.06 0.02 0.00 0.00 175.26 175.54 3f0m s PHE 145 N 0.68 0.57 0.29 1.61 0.40 -1.26 -5.04 117.98 115.23 3f0m s PHE 145 Ca 0.11 -0.12 0.10 0.00 -0.60 0.00 0.00 56.93 56.43 3f0m s PHE 145 Cb -0.13 -0.41 0.42 0.00 0.51 0.00 0.00 43.02 43.41 3f0m s PHE 145 CO 0.02 -0.05 1.65 0.93 0.70 0.00 0.00 175.22 178.48 3f0m h GLU 146 N 6.29 0.02 -2.63 0.44 5.08 -1.97 -3.38 114.58 118.43 3f0m h GLU 146 Ca -0.31 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.43 3f0m h GLU 146 Cb 1.18 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.02 3f0m h GLU 146 CO 0.49 0.58 -0.70 1.04 -1.00 0.00 0.00 179.01 179.42 3f0m n GLN 147 N -3.87 1.61 -2.24 2.33 6.02 -1.26 -5.09 117.38 114.88 3f0m n GLN 147 Ca -0.01 -4.18 -0.35 0.00 -0.01 0.00 0.00 57.00 52.44 3f0m n GLN 147 Cb 0.57 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.77 3f0m n GLN 147 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3f0m s GLN 148 N -1.43 3.34 -0.04 -1.09 -1.52 -1.26 -1.25 119.66 116.40 3f0m s GLN 148 Ca 0.31 1.64 0.06 0.00 -1.95 0.00 0.00 55.36 55.42 3f0m s GLN 148 Cb 0.04 -2.02 -0.01 0.00 -0.22 0.00 0.00 33.01 30.80 3f0m s GLN 148 CO -0.13 -0.86 -0.23 1.03 -0.25 0.00 0.00 175.29 174.85 3f0m s ARG 149 N -3.26 2.22 0.11 2.91 0.52 -0.15 -4.84 118.95 116.47 3f0m s ARG 149 Ca 0.73 -0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 54.82 3f0m s ARG 149 Cb -0.25 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3f0m s ARG 149 CO 0.28 0.40 0.88 -1.21 0.02 0.00 0.00 175.30 175.66 3f0m s GLU 150 N -0.25 4.64 0.52 3.54 0.41 -1.26 -4.73 118.70 121.57 3f0m s GLU 150 Ca 0.00 1.30 -0.20 0.00 -0.41 0.00 0.00 54.97 55.66 3f0m s GLU 150 Cb -0.12 -3.35 -0.06 0.00 -1.78 0.00 0.00 34.13 28.82 3f0m s GLU 150 CO 0.02 0.32 1.14 -0.51 -0.49 0.00 0.00 175.26 175.73 3f0m s LEU 151 N -0.30 3.82 0.94 1.80 1.43 -1.26 -5.04 118.68 120.08 3f0m s LEU 151 Ca 0.42 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3f0m s LEU 151 Cb -0.23 -4.49 0.16 0.00 0.03 0.00 0.00 46.19 41.66 3f0m s LEU 151 CO 0.28 -1.12 1.10 -2.16 0.23 0.00 0.00 176.35 174.68 3f0m s PRO 152 N -3.12 0.88 0.42 1.29 0.04 -1.26 -4.86 135.00 128.39 3f0m s PRO 152 Ca 0.70 0.52 0.08 0.00 0.04 0.00 0.00 61.00 62.34 3f0m s PRO 152 Cb -0.25 -1.79 0.89 0.00 0.04 0.00 0.00 34.50 33.40 3f0m s PRO 152 CO 0.29 -2.43 2.06 -1.35 0.04 0.00 0.00 177.00 175.61 3f0m h PRO 153 N -1.67 0.48 0.00 0.56 0.11 -2.02 0.12 132.00 129.57 3f0m h PRO 153 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3f0m h PRO 153 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3f0m h PRO 153 CO 0.58 0.33 0.00 0.11 -0.21 0.00 0.00 178.00 178.81 3f0m h TRP 154 N 0.49 0.00 0.00 0.65 5.08 -1.91 -2.28 115.95 117.98 3f0m h TRP 154 Ca 0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.10 3f0m h TRP 154 Cb -0.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 3f0m h TRP 154 CO 0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 3f0m n GLY 155 N -0.44 -0.31 0.33 11.11 0.00 0.40 -3.33 105.19 112.96 3f0m n GLY 155 Ca 0.01 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.15 3f0m n GLY 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3f0m h GLU 156 N 0.00 0.00 0.00 1.61 -0.00 -1.58 -1.62 114.58 112.99 3f0m h GLU 156 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 3f0m h GLU 156 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3f0m h GLU 156 CO 0.00 0.00 -0.02 -0.84 -0.00 0.00 0.00 179.01 178.15 3f0m h ILE 157 N 0.00 0.13 -4.02 -1.06 3.07 -1.86 -3.44 117.51 110.33 3f0m h ILE 157 Ca 0.07 -0.27 -0.46 0.00 1.55 0.00 0.00 64.86 65.75 3f0m h ILE 157 Cb 0.43 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.20 3f0m h ILE 157 CO -0.00 0.02 0.30 -0.36 -1.05 0.00 0.00 178.15 177.06 3f0m s PHE 158 N -4.02 3.36 1.08 0.16 0.40 -0.61 -4.17 117.98 114.17 3f0m s PHE 158 Ca -0.03 1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 57.63 3f0m s PHE 158 Cb 0.12 -2.77 0.23 0.00 0.51 0.00 0.00 43.02 41.11 3f0m s PHE 158 CO 0.49 -0.14 1.17 -1.54 0.70 0.00 0.00 175.22 175.90 3f0m s SER 159 N -2.45 2.05 0.10 1.36 1.04 -1.26 -4.93 113.70 109.61 3f0m s SER 159 Ca 0.60 0.63 0.19 0.00 0.48 0.00 0.00 55.95 57.85 3f0m s SER 159 Cb -0.09 -0.91 0.80 0.00 0.10 0.00 0.00 66.02 65.92 3f0m s SER 159 CO 0.19 -3.43 1.60 -1.84 0.98 0.00 0.00 173.24 170.74 3f0m n GLU 160 N -4.29 0.08 -0.05 4.02 0.28 -1.26 -1.89 120.64 117.53 3f0m n GLU 160 Ca 0.12 0.29 0.12 0.00 -0.16 0.00 0.00 57.16 57.53 3f0m n GLU 160 Cb 0.59 -1.64 0.31 0.00 1.43 0.00 0.00 31.44 32.13 3f0m n GLU 160 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3f0m n TYR 161 N -1.79 0.13 -1.71 -1.84 4.02 -1.26 -4.96 117.16 109.75 3f0m n TYR 161 Ca 0.03 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 3f0m n TYR 161 Cb 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 3f0m n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f0m s LEU 163 N -0.45 3.91 -0.28 0.00 1.43 -0.41 -4.99 118.68 117.88 3f0m s LEU 163 Ca 0.63 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 3f0m s LEU 163 Cb -0.57 -1.93 0.17 0.00 0.03 0.00 0.00 46.19 43.88 3f0m s LEU 163 CO 0.53 0.35 0.46 0.12 0.23 0.00 0.00 176.35 178.03 3f0m s PHE 164 N -0.67 -1.23 0.10 0.29 5.99 -1.24 -1.65 117.98 119.56 3f0m s PHE 164 Ca 0.12 0.66 -0.03 0.00 0.00 0.00 0.00 56.93 57.67 3f0m s PHE 164 Cb -0.12 0.03 -0.03 0.00 0.00 0.00 0.00 43.02 42.90 3f0m s PHE 164 CO 0.02 -0.97 0.08 0.96 -0.00 0.00 0.00 175.22 175.31 3f0m s ILE 165 N 2.63 0.15 -0.39 3.12 -4.36 -0.52 -0.98 121.20 120.85 3f0m s ILE 165 Ca 0.11 -1.67 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 3f0m s ILE 165 Cb -0.12 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.91 3f0m s ILE 165 CO -0.27 -0.68 0.26 -0.60 0.24 0.00 0.00 174.94 173.89 3f0m s ARG 166 N -3.95 3.01 0.28 0.37 3.52 -0.38 -0.76 118.95 121.03 3f0m s ARG 166 Ca 0.13 -0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 54.45 3f0m s ARG 166 Cb 0.07 -3.87 -0.12 0.00 -1.56 0.00 0.00 34.95 29.46 3f0m s ARG 166 CO -0.05 -0.68 1.55 -2.30 -0.81 0.00 0.00 175.30 173.00 3f0m n PRO 167 N 5.10 2.53 0.08 5.12 -0.02 -1.26 -4.36 135.00 142.19 3f0m n PRO 167 Ca -0.12 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3f0m n PRO 167 Cb 0.47 -2.65 0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3f0m n PRO 167 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f0m h SER 168 N 4.63 0.00 -5.61 2.55 4.64 -1.94 -3.46 113.55 114.36 3f0m h SER 168 Ca -0.46 -0.15 0.25 0.00 -0.47 0.00 0.00 61.79 60.95 3f0m h SER 168 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 3f0m h SER 168 CO 0.78 0.08 0.73 0.54 -0.87 0.00 0.00 176.83 178.09 3f0m s ASN 169 N -4.64 0.01 0.23 4.97 2.20 -1.26 -5.02 114.94 111.42 3f0m s ASN 169 Ca 0.04 -0.46 -0.06 0.00 -0.94 0.00 0.00 52.86 51.43 3f0m s ASN 169 Cb 0.12 0.34 0.22 0.00 -2.00 0.00 0.00 41.25 39.93 3f0m s ASN 169 CO 0.75 -0.67 1.81 0.58 -2.94 0.00 0.00 177.10 176.63 3f0m h VAL 170 N 2.00 1.25 -0.52 3.54 2.07 -1.99 -1.56 116.25 121.05 3f0m h VAL 170 Ca -0.25 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3f0m h VAL 170 Cb 1.20 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3f0m h VAL 170 CO 0.34 0.32 0.20 0.74 0.02 0.00 0.00 177.57 179.19 3f0m h THR 171 N 1.13 0.85 -0.44 2.57 2.02 -1.99 -0.38 112.91 116.68 3f0m h THR 171 Ca 0.27 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3f0m h THR 171 Cb 0.17 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3f0m h THR 171 CO -0.03 0.07 -0.19 -0.33 0.37 0.00 0.00 175.52 175.42 3f0m h GLU 172 N 0.40 0.86 -0.51 6.66 5.08 -1.86 -0.58 114.58 124.62 3f0m h GLU 172 Ca 0.25 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3f0m h GLU 172 Cb 0.24 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3f0m h GLU 172 CO -0.23 0.97 0.27 0.93 -1.00 0.00 0.00 179.01 179.95 3f0m h GLU 173 N 0.75 0.52 -0.29 2.33 5.08 -0.69 -0.77 114.58 121.51 3f0m h GLU 173 Ca 0.11 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3f0m h GLU 173 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3f0m h GLU 173 CO 0.05 0.34 -0.30 0.93 -1.00 0.00 0.00 179.01 179.03 3f0m h GLU 174 N 0.53 0.61 -0.51 2.33 5.08 -0.89 -0.20 114.58 121.53 3f0m h GLU 174 Ca 0.22 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3f0m h GLU 174 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3f0m h GLU 174 CO -0.14 0.84 0.00 -0.09 -1.00 0.00 0.00 179.01 178.62 3f0m h ARG 175 N 0.52 0.85 -0.12 2.33 2.43 -0.74 -0.35 114.38 119.30 3f0m h ARG 175 Ca 0.06 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3f0m h ARG 175 Cb 0.78 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3f0m h ARG 175 CO 0.06 0.85 -0.08 0.35 -1.51 0.00 0.00 179.97 179.64 3f0m h PHE 176 N 0.79 0.31 -0.58 2.20 3.04 -0.85 -1.20 116.94 120.65 3f0m h PHE 176 Ca 0.15 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 62.06 3f0m h PHE 176 Cb 0.47 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 3f0m h PHE 176 CO 0.03 0.64 0.33 0.28 -2.02 0.00 0.00 178.31 177.57 3f0m h VAL 177 N -0.10 1.00 -0.44 1.41 2.07 -0.86 -1.23 116.25 118.10 3f0m h VAL 177 Ca 0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3f0m h VAL 177 Cb 0.57 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3f0m h VAL 177 CO 0.02 0.12 0.10 -0.61 0.02 0.00 0.00 177.57 177.22 3f0m h GLN 178 N 0.63 0.65 -0.53 1.57 5.75 -0.95 -0.02 115.11 122.22 3f0m h GLN 178 Ca 0.25 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 3f0m h GLN 178 Cb 0.11 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3f0m h GLN 178 CO -0.14 0.60 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.49 3f0m h ARG 179 N 0.64 0.94 -0.59 1.69 9.65 -0.67 0.59 114.38 126.62 3f0m h ARG 179 Ca 0.15 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 3f0m h ARG 179 Cb 0.25 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 3f0m h ARG 179 CO -0.00 0.96 0.26 0.28 2.80 0.00 0.00 179.97 184.27 3f0m h VAL 180 N 0.85 1.22 -0.47 0.20 2.07 -0.45 0.34 116.25 120.02 3f0m h VAL 180 Ca 0.15 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3f0m h VAL 180 Cb 0.58 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3f0m h VAL 180 CO 0.03 0.26 0.22 0.58 0.02 0.00 0.00 177.57 178.68 3f0m h VAL 181 N 0.82 0.93 -0.59 2.57 2.07 -0.72 0.22 116.25 121.55 3f0m h VAL 181 Ca 0.20 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3f0m h VAL 181 Cb 0.16 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3f0m h VAL 181 CO -0.02 0.08 0.38 0.44 0.02 0.00 0.00 177.57 178.47 3f0m h ASP 182 N 0.43 0.64 -0.65 0.57 3.32 -0.39 0.30 116.42 120.64 3f0m h ASP 182 Ca 0.21 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3f0m h ASP 182 Cb 0.14 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3f0m h ASP 182 CO -0.16 0.45 0.42 -0.26 -1.72 0.00 0.00 179.24 177.97 3f0m h PHE 183 N 0.76 0.78 -0.35 4.55 -1.00 -0.39 -0.54 116.94 120.76 3f0m h PHE 183 Ca 0.23 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.93 3f0m h PHE 183 Cb -0.04 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.24 3f0m h PHE 183 CO -0.04 0.47 -0.19 -0.07 -1.61 0.00 0.00 178.31 176.87 3f0m h LEU 184 N 0.84 0.65 -0.12 1.54 3.38 -0.56 0.02 115.31 121.06 3f0m h LEU 184 Ca 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3f0m h LEU 184 Cb -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3f0m h LEU 184 CO -0.08 0.85 0.03 1.56 0.09 0.00 0.00 178.44 180.89 3f0m h GLN 185 N 0.58 0.19 -0.50 1.13 4.20 -0.34 0.11 115.11 120.48 3f0m h GLN 185 Ca 0.09 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3f0m h GLN 185 Cb 0.65 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3f0m h GLN 185 CO 0.05 0.34 0.25 0.82 -0.67 0.00 0.00 178.83 179.62 3f0m h ILE 186 N -0.01 0.96 -0.26 2.54 2.04 -0.93 -1.63 117.51 120.23 3f0m h ILE 186 Ca 0.04 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3f0m h ILE 186 Cb 0.24 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3f0m h ILE 186 CO -0.00 0.09 -0.06 -0.74 0.00 0.00 0.00 178.15 177.44 3f0m h HIS 187 N 0.49 0.55 -0.57 1.37 2.76 -0.75 0.95 115.15 119.96 3f0m h HIS 187 Ca 0.22 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3f0m h HIS 187 Cb 0.12 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3f0m h HIS 187 CO -0.10 0.71 0.16 0.00 -1.30 0.00 0.00 177.93 177.40 3f0m h HIS 189 N 0.84 0.50 -0.05 0.00 6.17 -0.95 -2.69 115.15 118.97 3f0m h HIS 189 Ca 0.19 -0.09 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 3f0m h HIS 189 Cb 0.26 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 3f0m h HIS 189 CO 0.02 0.63 -0.13 1.96 0.71 0.00 0.00 177.93 181.12 3f0m h GLN 190 N 0.23 0.07 0.00 5.26 1.08 -0.44 -0.97 115.11 120.34 3f0m h GLN 190 Ca 0.07 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3f0m h GLN 190 Cb 0.44 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3f0m h GLN 190 CO 0.02 0.20 -0.03 0.66 -0.95 0.00 0.00 178.83 178.73 3f0m h SER 191 N 0.07 0.00 1.30 1.46 4.64 -0.78 -1.72 113.55 118.52 3f0m h SER 191 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3f0m h SER 191 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3f0m h SER 191 CO 0.02 0.03 -0.68 0.16 -0.87 0.00 0.00 176.83 175.48 3f0m h ILE 192 N 0.00 0.00 -0.01 0.95 3.07 -1.13 -3.29 117.51 117.10 3f0m h ILE 192 Ca -0.00 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.42 3f0m h ILE 192 Cb 0.07 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3f0m h ILE 192 CO 0.00 0.00 -0.42 1.33 -1.05 0.00 0.00 178.15 178.02 3f0m n VAL 193 N -2.80 0.00 -2.44 0.16 0.24 -0.73 -4.96 118.33 107.81 3f0m n VAL 193 Ca 0.01 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 3f0m n VAL 193 Cb 0.54 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.93 3f0m n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f0m s ALA 194 N -2.47 3.38 0.11 2.33 0.00 -0.74 -5.03 121.76 119.33 3f0m s ALA 194 Ca 0.20 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3f0m s ALA 194 Cb 0.18 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3f0m s ALA 194 CO 0.56 -0.41 0.29 -1.83 0.00 0.00 0.00 175.76 174.37 3f0m s GLU 195 N 0.94 3.52 0.35 0.00 -1.05 -1.26 -5.04 118.70 116.16 3f0m s GLU 195 Ca 0.58 -0.29 -0.28 0.00 -0.15 0.00 0.00 54.97 54.83 3f0m s GLU 195 Cb -0.29 -2.94 -0.11 0.00 -0.44 0.00 0.00 34.13 30.35 3f0m s GLU 195 CO 0.30 0.53 1.42 -2.14 0.95 0.00 0.00 175.26 176.32 3f0m s PRO 196 N -2.64 4.20 0.53 -4.83 0.02 -1.26 -4.65 135.00 126.38 3f0m s PRO 196 Ca 0.38 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.90 3f0m s PRO 196 Cb -0.12 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.44 3f0m s PRO 196 CO 0.27 -0.41 0.74 -0.51 -0.33 0.00 0.00 177.00 176.75 3f0m s LEU 197 N -1.87 3.32 0.93 -5.54 1.43 0.42 -5.01 118.68 112.35 3f0m s LEU 197 Ca 0.52 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3f0m s LEU 197 Cb -0.44 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 43.65 3f0m s LEU 197 CO 0.58 -1.17 1.09 -0.94 0.23 0.00 0.00 176.35 176.15 3f0m s SER 198 N -4.52 3.04 0.22 2.29 1.04 -1.26 -4.75 113.70 109.76 3f0m s SER 198 Ca 0.59 1.66 -0.09 0.00 0.48 0.00 0.00 55.95 58.59 3f0m s SER 198 Cb -0.08 -2.30 0.18 0.00 0.10 0.00 0.00 66.02 63.92 3f0m s SER 198 CO 0.37 -2.93 1.89 -0.33 0.98 0.00 0.00 173.24 173.22 3f0m h GLU 199 N -1.75 1.08 -0.50 4.02 5.08 -1.99 0.12 114.58 120.65 3f0m h GLU 199 Ca -0.50 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.66 3f0m h GLU 199 Cb 1.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3f0m h GLU 199 CO 0.51 0.72 -0.19 0.00 -1.00 0.00 0.00 179.01 179.06 3f0m h ALA 200 N 1.29 0.72 -0.41 3.43 0.00 -1.99 -1.09 119.26 121.21 3f0m h ALA 200 Ca 0.30 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3f0m h ALA 200 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3f0m h ALA 200 CO -0.06 0.67 -0.28 1.96 0.00 0.00 0.00 179.25 181.54 3f0m h GLN 201 N 0.87 0.89 -0.55 0.00 4.20 -1.84 -1.55 115.11 117.13 3f0m h GLN 201 Ca 0.12 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.44 3f0m h GLN 201 Cb 0.76 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 3f0m h GLN 201 CO 0.06 1.05 0.35 1.15 -0.67 0.00 0.00 178.83 180.77 3f0m h THR 202 N 0.75 1.10 -0.29 -0.54 2.02 -0.52 -0.26 112.91 115.17 3f0m h THR 202 Ca 0.09 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3f0m h THR 202 Cb 0.84 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3f0m h THR 202 CO 0.07 0.13 0.16 0.25 0.37 0.00 0.00 175.52 176.50 3f0m h LEU 203 N 0.70 0.37 -0.39 2.58 5.85 -1.07 0.50 115.31 123.85 3f0m h LEU 203 Ca 0.21 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3f0m h LEU 203 Cb -0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3f0m h LEU 203 CO -0.07 0.36 0.15 -0.08 -0.34 0.00 0.00 178.44 178.46 3f0m h GLU 204 N 0.35 0.31 -0.82 1.25 4.81 -0.67 -1.23 114.58 118.58 3f0m h GLU 204 Ca 0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3f0m h GLU 204 Cb 0.07 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3f0m h GLU 204 CO -0.02 0.21 0.41 0.45 -0.73 0.00 0.00 179.01 179.33 3f0m h HIS 205 N 0.32 1.16 -0.49 0.92 3.86 -0.72 -2.53 115.15 117.68 3f0m h HIS 205 Ca 0.18 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3f0m h HIS 205 Cb 0.14 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.19 3f0m h HIS 205 CO -0.14 0.83 0.19 -0.09 0.86 0.00 0.00 177.93 179.58 3f0m h ARG 206 N 1.16 0.36 -0.90 2.45 2.43 -0.66 -1.74 114.38 117.49 3f0m h ARG 206 Ca 0.28 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3f0m h ARG 206 Cb 0.09 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3f0m h ARG 206 CO -0.04 0.24 0.60 1.96 -1.51 0.00 0.00 179.97 181.22 3f0m h GLN 207 N 0.37 1.17 -0.29 0.20 4.20 -1.01 -0.04 115.11 119.72 3f0m h GLN 207 Ca 0.23 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 3f0m h GLN 207 Cb 0.23 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3f0m h GLN 207 CO -0.23 0.78 -0.23 0.78 -0.67 0.00 0.00 178.83 179.26 3f0m h GLY 208 N 1.21 0.59 1.36 3.46 0.00 -0.99 -0.71 103.07 107.99 3f0m h GLY 208 Ca 0.34 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 3f0m h GLY 208 CO -0.08 0.44 -0.59 -1.61 0.00 0.00 0.00 176.54 174.70 3f0m h GLN 209 N 0.48 0.66 -0.39 4.80 4.15 -0.75 -0.58 115.11 123.48 3f0m h GLN 209 Ca 0.07 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 3f0m h GLN 209 Cb 0.66 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 3f0m h GLN 209 CO 0.05 1.06 0.22 0.82 -1.93 0.00 0.00 178.83 179.05 3f0m h ILE 210 N 0.50 1.14 -0.61 2.39 2.04 -0.77 -2.10 117.51 120.11 3f0m h ILE 210 Ca -0.00 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3f0m h ILE 210 Cb 1.17 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3f0m h ILE 210 CO 0.12 0.15 0.39 -0.74 0.00 0.00 0.00 178.15 178.07 3f0m h HIS 211 N 0.51 0.73 -0.54 1.37 2.76 -1.03 -1.08 115.15 117.88 3f0m h HIS 211 Ca 0.14 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3f0m h HIS 211 Cb 0.04 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.71 3f0m h HIS 211 CO -0.03 0.44 0.25 -0.92 -1.30 0.00 0.00 177.93 176.37 3f0m h TYR 212 N 0.78 0.44 -0.49 5.26 3.20 -0.79 -0.68 116.97 124.70 3f0m h TYR 212 Ca 0.23 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 3f0m h TYR 212 Cb -0.04 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3f0m h TYR 212 CO -0.04 0.19 -0.08 0.00 -1.64 0.00 0.00 178.16 176.59 3f0m h GLN 214 N 0.77 1.24 -0.17 0.00 4.20 -0.75 -2.01 115.11 118.39 3f0m h GLN 214 Ca 0.13 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3f0m h GLN 214 Cb 0.62 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 3f0m h GLN 214 CO 0.04 0.93 -0.23 1.96 -0.67 0.00 0.00 178.83 180.86 3f0m h GLN 215 N 1.23 0.46 -0.08 1.46 1.08 -0.98 -3.16 115.11 115.12 3f0m h GLN 215 Ca 0.30 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3f0m h GLN 215 Cb 0.07 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3f0m h GLN 215 CO -0.04 0.85 0.06 1.96 -0.95 0.00 0.00 178.83 180.71 3f0m h GLN 216 N 0.10 0.00 0.00 1.46 1.08 -0.92 -0.94 115.11 115.89 3f0m h GLN 216 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3f0m h GLN 216 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3f0m h GLN 216 CO 0.05 0.00 0.00 1.96 -0.95 0.00 0.00 178.83 179.89 3f0m h GLN 217 N 0.00 0.00 0.00 1.46 4.20 -1.33 -2.45 115.11 116.99 3f0m h GLN 217 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3f0m h GLN 217 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3f0m h GLN 217 CO -0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3f0m n LYS 218 N -2.73 0.85 -2.35 1.46 5.02 -0.36 -4.74 118.16 115.32 3f0m n LYS 218 Ca -0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3f0m n LYS 218 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3f0m n LYS 218 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3f0m s ASN 219 N -1.99 5.88 0.54 4.39 3.04 -0.92 -4.82 114.94 121.06 3f0m s ASN 219 Ca 0.41 -0.65 0.35 0.00 0.04 0.00 0.00 52.86 53.00 3f0m s ASN 219 Cb 0.19 -2.56 1.61 0.00 -1.54 0.00 0.00 41.25 38.95 3f0m s ASN 219 CO 0.31 -2.03 2.04 0.44 -3.04 0.00 0.00 177.10 174.83 3f0m h ASP 220 N 11.18 0.00 -0.21 -4.21 3.45 -1.91 -1.76 116.42 122.95 3f0m h ASP 220 Ca -0.05 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.30 3f0m h ASP 220 Cb 1.05 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3f0m h ASP 220 CO 1.30 0.00 -0.29 0.11 -1.57 0.00 0.00 179.24 178.79 3f0m h LYS 221 N 0.00 0.58 -0.19 3.56 1.79 -2.00 -0.40 116.57 119.90 3f0m h LYS 221 Ca 0.00 -0.33 -0.03 0.00 -2.18 0.00 0.00 60.65 58.11 3f0m h LYS 221 Cb 0.33 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 3f0m h LYS 221 CO 0.00 0.94 0.00 1.15 -1.08 0.00 0.00 179.45 180.46 3f0m h THR 222 N 0.26 1.25 -0.94 -0.16 2.02 -1.93 -3.06 112.91 110.36 3f0m h THR 222 Ca 0.02 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.37 3f0m h THR 222 Cb 0.87 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 3f0m h THR 222 CO 0.07 0.26 0.62 -0.09 0.37 0.00 0.00 175.52 176.75 3f0m h ARG 223 N 0.10 1.22 -0.76 6.66 2.43 -1.23 -2.33 114.38 120.47 3f0m h ARG 223 Ca 0.05 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3f0m h ARG 223 Cb 0.38 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3f0m h ARG 223 CO 0.01 0.81 0.26 -0.09 -1.51 0.00 0.00 179.97 179.45 3f0m h ARG 224 N 1.26 1.16 -0.22 0.20 2.43 -1.03 0.78 114.38 118.96 3f0m h ARG 224 Ca 0.35 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3f0m h ARG 224 Cb -0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 3f0m h ARG 224 CO -0.08 0.97 0.15 0.28 -1.51 0.00 0.00 179.97 179.78 3f0m h VAL 225 N 1.11 1.06 -0.40 0.20 2.07 -1.33 -0.30 116.25 118.66 3f0m h VAL 225 Ca 0.25 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 3f0m h VAL 225 Cb 0.28 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3f0m h VAL 225 CO -0.01 0.06 0.10 -0.07 0.02 0.00 0.00 177.57 177.67 3f0m h LEU 226 N 0.30 0.60 -1.28 2.57 3.38 -0.97 -3.01 115.31 116.89 3f0m h LEU 226 Ca 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3f0m h LEU 226 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3f0m h LEU 226 CO -0.02 0.67 0.21 -0.33 0.09 0.00 0.00 178.44 179.06 3f0m h GLU 227 N 0.50 0.71 0.00 1.13 5.08 -0.43 -0.63 114.58 120.93 3f0m h GLU 227 Ca 0.13 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3f0m h GLU 227 Cb 0.30 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3f0m h GLU 227 CO -0.00 0.57 -0.15 0.87 -1.00 0.00 0.00 179.01 179.30 3f0m h LYS 228 N 0.71 0.00 0.00 2.33 1.79 -0.93 0.09 116.57 120.56 3f0m h LYS 228 Ca 0.17 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.44 3f0m h LYS 228 Cb 0.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 3f0m h LYS 228 CO -0.02 0.15 -2.05 0.00 -1.08 0.00 0.00 179.45 176.45 3f0m n ALA 229 N -2.19 1.97 0.00 3.86 0.00 -1.02 -4.09 120.51 119.04 3f0m n ALA 229 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3f0m n ALA 229 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3f0m n ALA 229 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3f0m n PHE 230 N -2.46 0.00 0.00 0.00 3.01 -0.27 -2.57 117.46 115.17 3f0m n PHE 230 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 3f0m n PHE 230 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3f0m n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3f0m n GLY 231 N 1.30 1.47 0.22 1.37 0.00 0.01 -4.45 105.19 105.10 3f0m n GLY 231 Ca 0.00 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 3f0m n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f0m h GLU 232 N 0.00 0.71 -0.35 1.61 3.07 -1.92 -1.09 114.58 116.61 3f0m h GLU 232 Ca 0.00 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 3f0m h GLU 232 Cb 0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3f0m h GLU 232 CO 0.00 0.51 -0.44 0.00 -1.40 0.00 0.00 179.01 177.68 3f0m h ALA 233 N 1.16 0.53 -0.51 3.43 0.00 -1.98 -0.38 119.26 121.50 3f0m h ALA 233 Ca 0.19 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3f0m h ALA 233 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3f0m h ALA 233 CO -0.04 0.67 0.14 2.35 0.00 0.00 0.00 179.25 182.37 3f0m h TRP 234 N 0.72 0.84 -0.65 0.00 7.01 -1.75 -1.51 115.95 120.61 3f0m h TRP 234 Ca 0.05 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.92 3f0m h TRP 234 Cb 1.04 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 3f0m h TRP 234 CO 0.07 0.74 0.27 0.00 -2.79 0.00 0.00 178.44 176.72 3f0m h ALA 235 N 1.01 0.84 -0.54 2.65 0.00 -0.89 0.10 119.26 122.43 3f0m h ALA 235 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3f0m h ALA 235 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3f0m h ALA 235 CO -0.00 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.39 3f0m h GLU 236 N 0.91 0.82 -0.67 0.00 4.57 -0.84 0.27 114.58 119.64 3f0m h GLU 236 Ca 0.22 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3f0m h GLU 236 Cb 0.19 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3f0m h GLU 236 CO -0.02 0.73 0.39 -0.09 -1.18 0.00 0.00 179.01 178.84 3f0m h ARG 237 N 0.74 0.91 -0.39 1.92 2.43 -0.89 -0.92 114.38 118.18 3f0m h ARG 237 Ca 0.18 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3f0m h ARG 237 Cb 0.23 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3f0m h ARG 237 CO -0.01 0.66 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.14 3f0m h TYR 238 N 0.91 0.81 -0.33 2.20 3.20 -0.51 0.19 116.97 123.43 3f0m h TYR 238 Ca 0.24 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3f0m h TYR 238 Cb -0.01 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3f0m h TYR 238 CO -0.01 0.83 0.13 0.52 -1.64 0.00 0.00 178.16 177.99 3f0m h MET 239 N 0.54 0.50 0.00 1.82 2.86 -0.85 -0.12 114.93 119.67 3f0m h MET 239 Ca 0.11 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3f0m h MET 239 Cb 0.55 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3f0m h MET 239 CO 0.03 0.50 -0.90 0.66 1.06 0.00 0.00 176.91 178.26 3f0m h SER 240 N 0.38 0.00 0.00 1.22 4.64 -1.08 -0.62 113.55 118.09 3f0m h SER 240 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 3f0m h SER 240 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3f0m h SER 240 CO -0.01 0.30 -1.67 0.00 -0.87 0.00 0.00 176.83 174.58 3f0m n GLN 241 N -2.92 2.37 -0.11 4.77 1.13 0.67 -3.68 117.38 119.61 3f0m n GLN 241 Ca -0.02 -0.01 -0.19 0.00 -1.94 0.00 0.00 57.00 54.84 3f0m n GLN 241 Cb 0.68 -1.25 -0.06 0.00 0.11 0.00 0.00 30.24 29.72 3f0m n GLN 241 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3f0m n VAL 242 N -2.36 1.48 -0.04 5.09 0.31 -0.37 -4.60 118.33 117.84 3f0m n VAL 242 Ca -0.16 -0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 3f0m n VAL 242 Cb 0.81 -2.10 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 3f0m n VAL 242 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3f0m h LEU 243 N -0.96 -0.02 -6.00 7.52 3.38 -1.18 -3.41 115.31 114.63 3f0m h LEU 243 Ca -0.34 -0.76 -0.56 0.00 0.09 0.00 0.00 57.88 56.31 3f0m h LEU 243 Cb 1.28 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.63 3f0m h LEU 243 CO -0.21 0.79 -0.96 0.49 0.09 0.00 0.00 178.44 178.65 3f0m n PHE 244 N -4.71 1.02 -2.43 1.13 3.01 -0.24 -5.01 117.46 110.23 3f0m n PHE 244 Ca -0.09 -3.78 -0.40 0.00 1.01 0.00 0.00 57.45 54.19 3f0m n PHE 244 Cb 0.38 -0.42 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 3f0m n PHE 244 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3f0m s ASP 245 N -1.84 7.21 -0.27 4.37 -4.77 -1.24 -4.62 116.67 115.51 3f0m s ASP 245 Ca 0.38 2.31 -0.13 0.00 -3.30 0.00 0.00 52.55 51.81 3f0m s ASP 245 Cb 0.20 -2.63 -0.04 0.00 -1.09 0.00 0.00 42.92 39.36 3f0m s ASP 245 CO -0.08 -0.19 0.30 -0.69 0.70 0.00 0.00 175.17 175.21 3f0m s VAL 246 N -1.11 5.23 0.81 2.11 1.01 -1.26 -4.89 120.40 122.30 3f0m s VAL 246 Ca 0.45 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 3f0m s VAL 246 Cb -0.33 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.51 3f0m s VAL 246 CO 0.42 0.20 1.18 0.27 0.00 0.00 0.00 175.10 177.16 3f0m s ILE 247 N 1.93 2.02 0.00 2.22 -4.36 -1.26 -5.10 121.20 116.65 3f0m s ILE 247 Ca 0.12 -0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 3f0m s ILE 247 Cb -0.16 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.55 3f0m s ILE 247 CO 0.10 0.00 0.00 1.67 0.24 0.00 0.00 174.94 176.95