#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3d s LEU 2 N 0.00 4.36 0.33 -0.89 1.43 -1.26 -4.95 118.68 117.71 1c3d s LEU 2 Ca 0.00 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 1c3d s LEU 2 Cb 0.00 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.53 1c3d s LEU 2 CO 0.00 -0.75 1.49 -1.81 0.23 0.00 0.00 176.35 175.51 1c3d s ASP 3 N 1.46 6.44 0.40 2.29 1.11 -1.26 -4.91 116.67 122.19 1c3d s ASP 3 Ca 0.68 2.94 0.18 0.00 0.18 0.00 0.00 52.55 56.53 1c3d s ASP 3 Cb -0.39 -2.65 1.10 0.00 1.07 0.00 0.00 42.92 42.05 1c3d s ASP 3 CO 0.30 -0.83 1.78 0.00 1.18 0.00 0.00 175.17 177.61 1c3d h ALA 4 N 3.79 2.23 -0.86 5.23 0.00 -1.90 -1.25 119.26 126.50 1c3d h ALA 4 Ca -0.49 0.05 0.19 0.00 0.00 0.00 0.00 54.91 54.67 1c3d h ALA 4 Cb 1.23 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1c3d h ALA 4 CO 0.70 -0.62 0.57 1.49 0.00 0.00 0.00 179.25 181.40 1c3d h GLU 5 N 0.40 0.36 0.00 0.00 4.81 -1.91 -0.14 114.58 118.09 1c3d h GLU 5 Ca 0.58 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1c3d h GLU 5 Cb 1.46 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1c3d h GLU 5 CO -0.28 0.24 0.00 0.00 -0.73 0.00 0.00 179.01 178.24 1c3d h ARG 6 N 0.37 0.00 -0.21 1.92 2.47 -1.60 -3.32 114.38 114.02 1c3d h ARG 6 Ca 0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.16 1c3d h ARG 6 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1c3d h ARG 6 CO -0.15 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.66 1c3d n LEU 7 N -2.61 2.38 -0.34 3.04 4.77 -0.07 -4.48 117.00 119.70 1c3d n LEU 7 Ca 0.04 -0.97 0.15 0.00 -0.03 0.00 0.00 56.01 55.21 1c3d n LEU 7 Cb 0.42 -0.13 0.36 0.00 -2.33 0.00 0.00 43.42 41.75 1c3d n LEU 7 CO 0.30 0.48 1.19 0.11 -1.33 0.00 0.00 177.39 178.14 1c3d h LYS 8 N 3.25 0.65 0.00 3.23 1.57 -1.66 0.17 116.57 123.78 1c3d h LYS 8 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c3d h LYS 8 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1c3d h LYS 8 CO 0.00 0.43 0.00 -2.39 -0.57 0.00 0.00 179.45 176.92 1c3d n HIS 9 N -4.78 0.58 0.94 -1.35 1.44 -1.26 -2.38 115.22 108.42 1c3d n HIS 9 Ca 0.24 0.26 0.13 0.00 -2.01 0.00 0.00 57.72 56.35 1c3d n HIS 9 Cb 0.65 -0.92 0.48 0.00 0.12 0.00 0.00 29.99 30.31 1c3d n HIS 9 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1c3d n LEU 10 N -2.06 0.25 -4.51 2.39 4.77 0.59 -4.52 117.00 113.91 1c3d n LEU 10 Ca 0.01 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1c3d n LEU 10 Cb 0.12 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1c3d n LEU 10 CO 0.13 0.01 1.23 -0.63 -1.33 0.00 0.00 177.39 176.80 1c3d s ILE 11 N -3.02 4.29 -0.08 -0.08 -1.09 -1.00 -2.19 121.20 118.03 1c3d s ILE 11 Ca 0.12 -1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 57.43 1c3d s ILE 11 Cb 0.18 -4.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1c3d s ILE 11 CO 0.59 -1.73 0.02 -0.69 -1.23 0.00 0.00 174.94 171.90 1c3d s VAL 12 N 3.94 4.44 -0.34 2.92 1.01 -1.26 -5.01 120.40 126.10 1c3d s VAL 12 Ca 0.39 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1c3d s VAL 12 Cb -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1c3d s VAL 12 CO -0.09 0.58 0.68 -0.89 0.00 0.00 0.00 175.10 175.38 1c3d s THR 13 N -0.93 4.85 0.26 3.92 2.01 -1.26 -4.72 115.64 119.78 1c3d s THR 13 Ca 0.14 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1c3d s THR 13 Cb -0.11 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1c3d s THR 13 CO 0.04 -0.30 1.22 -2.84 -0.69 0.00 0.00 174.62 172.05 1c3d s PRO 14 N 2.80 4.47 0.20 4.92 0.02 -1.26 -4.94 135.00 141.21 1c3d s PRO 14 Ca 0.27 1.99 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 1c3d s PRO 14 Cb -0.14 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.24 1c3d s PRO 14 CO 0.14 -0.06 0.53 -1.54 -0.33 0.00 0.00 177.00 175.74 1c3d s SER 15 N -0.31 -0.26 0.00 2.53 1.04 -1.26 -4.85 113.70 110.59 1c3d s SER 15 Ca 0.50 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1c3d s SER 15 Cb -0.35 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1c3d s SER 15 CO 0.43 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1c3d n GLY 16 N -0.35 -3.58 0.00 7.32 0.00 -1.26 -2.70 105.19 104.62 1c3d n GLY 16 Ca -0.09 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1c3d n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3d n ALA 17 N 0.68 0.00 -0.41 4.61 0.00 -1.26 -4.00 120.51 120.14 1c3d n ALA 17 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 1c3d n ALA 17 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 1c3d n ALA 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1c3d h GLY 18 N 0.00 0.91 0.00 0.00 0.00 -1.09 0.16 103.07 103.05 1c3d h GLY 18 Ca 0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 47.33 46.84 1c3d h GLY 18 CO 0.00 -0.21 -2.18 1.18 0.00 0.00 0.00 176.54 175.33 1c3d n GLU 19 N -4.51 0.58 -0.30 4.80 1.02 -1.26 -4.29 120.64 116.68 1c3d n GLU 19 Ca 0.32 0.30 0.06 0.00 -0.02 0.00 0.00 57.16 57.82 1c3d n GLU 19 Cb 1.28 -1.52 0.21 0.00 -0.02 0.00 0.00 31.44 31.40 1c3d n GLU 19 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1c3d h GLN 20 N -1.00 0.68 -0.89 3.49 4.20 -1.82 -0.55 115.11 119.22 1c3d h GLN 20 Ca -0.57 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.10 1c3d h GLN 20 Cb 1.49 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1c3d h GLN 20 CO -0.34 0.45 0.54 -0.97 -0.67 0.00 0.00 178.83 177.84 1c3d h ASN 21 N 0.70 1.06 -0.01 1.46 -1.24 -0.47 -2.04 115.58 115.04 1c3d h ASN 21 Ca 0.45 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.28 1c3d h ASN 21 Cb 0.56 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1c3d h ASN 21 CO -0.32 0.81 -0.36 0.24 -1.29 0.00 0.00 177.43 176.51 1c3d h MET 22 N 1.22 0.50 -0.60 6.67 2.86 -1.34 0.13 114.93 124.36 1c3d h MET 22 Ca 0.32 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1c3d h MET 22 Cb -0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1c3d h MET 22 CO -0.06 0.79 0.30 0.82 1.06 0.00 0.00 176.91 179.82 1c3d h ILE 23 N 0.42 1.19 0.09 -1.22 2.04 -0.75 -1.26 117.51 118.02 1c3d h ILE 23 Ca 0.05 -0.51 -0.25 0.00 1.00 0.00 0.00 64.86 65.14 1c3d h ILE 23 Cb 0.82 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1c3d h ILE 23 CO 0.07 0.22 -1.17 1.23 0.00 0.00 0.00 178.15 178.49 1c3d h GLY 24 N 0.92 0.21 1.53 5.37 0.00 -0.98 -3.32 103.07 106.79 1c3d h GLY 24 Ca 0.21 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1c3d h GLY 24 CO -0.03 0.48 -0.44 1.98 0.00 0.00 0.00 176.54 178.52 1c3d h MET 25 N 0.05 0.52 -0.19 4.80 -1.53 -0.34 -3.36 114.93 114.88 1c3d h MET 25 Ca -0.10 -0.28 0.03 0.00 -3.44 0.00 0.00 59.70 55.92 1c3d h MET 25 Cb 1.91 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 32.90 1c3d h MET 25 CO 0.18 0.86 -0.55 1.15 0.14 0.00 0.00 176.91 178.69 1c3d h THR 26 N 0.42 0.00 -0.83 -0.77 2.02 -1.34 -2.16 112.91 110.25 1c3d h THR 26 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1c3d h THR 26 Cb 0.94 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1c3d h THR 26 CO 0.08 0.00 0.54 1.55 0.37 0.00 0.00 175.52 178.07 1c3d h PRO 27 N -0.55 0.99 -0.28 6.66 0.13 -1.75 -2.11 132.00 135.09 1c3d h PRO 27 Ca 0.04 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 1c3d h PRO 27 Cb 0.67 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1c3d h PRO 27 CO -0.47 0.65 -0.04 1.15 -0.23 0.00 0.00 178.00 179.06 1c3d h THR 28 N 1.01 1.27 0.25 1.56 2.02 -1.21 0.19 112.91 118.02 1c3d h THR 28 Ca 0.33 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1c3d h THR 28 Cb 0.05 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1c3d h THR 28 CO -0.10 0.33 -0.12 0.58 0.37 0.00 0.00 175.52 176.58 1c3d h VAL 29 N 0.28 0.76 -0.28 3.16 2.07 -1.23 -1.70 116.25 119.31 1c3d h VAL 29 Ca 0.07 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1c3d h VAL 29 Cb 0.50 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1c3d h VAL 29 CO 0.02 0.01 -0.17 -0.29 0.02 0.00 0.00 177.57 177.17 1c3d h ILE 30 N -0.37 1.24 -0.18 4.57 6.09 -1.36 -0.64 117.51 126.86 1c3d h ILE 30 Ca -0.03 -1.12 -0.02 0.00 -1.37 0.00 0.00 64.86 62.32 1c3d h ILE 30 Cb 0.29 1.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1c3d h ILE 30 CO 0.06 0.36 0.05 0.00 -3.07 0.00 0.00 178.15 175.55 1c3d h ALA 31 N 1.36 0.23 -0.29 0.18 0.00 -0.84 0.60 119.26 120.51 1c3d h ALA 31 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1c3d h ALA 31 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1c3d h ALA 31 CO 0.04 -0.13 0.15 0.28 0.00 0.00 0.00 179.25 179.58 1c3d h VAL 32 N 0.11 1.14 -0.33 0.00 2.07 -1.01 0.97 116.25 119.19 1c3d h VAL 32 Ca 0.06 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1c3d h VAL 32 Cb 0.25 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1c3d h VAL 32 CO -0.00 0.14 -0.08 -0.74 0.02 0.00 0.00 177.57 176.91 1c3d h HIS 33 N 0.34 -0.18 -0.31 1.57 6.17 -0.98 0.42 115.15 122.18 1c3d h HIS 33 Ca 0.10 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.18 1c3d h HIS 33 Cb 0.09 0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.14 1c3d h HIS 33 CO -0.02 -0.14 0.07 -0.92 0.71 0.00 0.00 177.93 177.62 1c3d h TYR 34 N -0.00 0.53 -0.54 5.26 3.20 -0.56 -2.09 116.97 122.76 1c3d h TYR 34 Ca 0.16 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1c3d h TYR 34 Cb 0.24 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1c3d h TYR 34 CO -0.31 0.57 0.15 -0.07 -1.64 0.00 0.00 178.16 176.85 1c3d h LEU 35 N 0.34 0.77 0.75 2.82 3.38 -0.46 -1.03 115.31 121.87 1c3d h LEU 35 Ca 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1c3d h LEU 35 Cb 0.31 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1c3d h LEU 35 CO 0.00 0.74 -0.36 0.44 0.09 0.00 0.00 178.44 179.36 1c3d h ASP 36 N 0.80 -0.85 -0.25 -0.43 3.32 -0.81 -0.78 116.42 117.42 1c3d h ASP 36 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1c3d h ASP 36 Cb 0.27 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1c3d h ASP 36 CO -0.00 -0.51 0.09 -0.33 -1.72 0.00 0.00 179.24 176.77 1c3d h GLU 37 N -1.19 0.45 -0.09 3.56 4.39 -1.31 -0.81 114.58 119.57 1c3d h GLU 37 Ca -0.10 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1c3d h GLU 37 Cb 0.79 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1c3d h GLU 37 CO 0.17 0.40 0.00 0.25 -1.16 0.00 0.00 179.01 178.67 1c3d n THR 38 N -4.38 0.11 -3.84 1.13 -2.24 -0.40 -4.88 114.28 99.79 1c3d n THR 38 Ca 0.01 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1c3d n THR 38 Cb 0.16 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1c3d n THR 38 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1c3d n GLU 39 N 0.07 -3.16 -0.34 -0.78 -0.58 -0.31 -4.90 120.64 110.64 1c3d n GLU 39 Ca 0.17 0.46 0.07 0.00 -0.42 0.00 0.00 57.16 57.44 1c3d n GLU 39 Cb 0.29 -4.56 0.22 0.00 -0.57 0.00 0.00 31.44 26.82 1c3d n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1c3d n GLN 40 N -4.33 2.99 0.26 3.49 6.02 -0.38 -4.68 117.38 120.75 1c3d n GLN 40 Ca -0.26 -2.47 0.10 0.00 -0.01 0.00 0.00 57.00 54.35 1c3d n GLN 40 Cb 0.66 -1.58 0.68 0.00 1.02 0.00 0.00 30.24 31.03 1c3d n GLN 40 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1c3d h TRP 41 N 2.13 0.00 -0.03 1.08 4.06 -1.91 -1.87 115.95 119.41 1c3d h TRP 41 Ca 0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 1c3d h TRP 41 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1c3d h TRP 41 CO 0.40 0.07 -0.87 0.93 -3.56 0.00 0.00 178.44 175.41 1c3d h GLU 42 N 0.00 0.44 -0.20 0.49 5.08 -1.92 0.61 114.58 119.08 1c3d h GLU 42 Ca -0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1c3d h GLU 42 Cb 0.14 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1c3d h GLU 42 CO 0.01 1.08 0.00 1.63 -1.00 0.00 0.00 179.01 180.73 1c3d n LYS 43 N -3.79 1.68 -0.06 2.33 4.76 -0.91 -3.63 118.16 118.55 1c3d n LYS 43 Ca -0.06 -1.04 -0.08 0.00 -2.87 0.00 0.00 58.31 54.26 1c3d n LYS 43 Cb 0.79 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 32.58 1c3d n LYS 43 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1c3d n PHE 44 N 0.28 0.00 0.00 2.13 7.35 -0.75 -4.43 117.46 122.04 1c3d n PHE 44 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 1c3d n PHE 44 Cb 0.30 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.68 1c3d n PHE 44 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1c3d n GLY 45 N 2.92 1.55 0.43 7.13 0.00 -0.23 -4.95 105.19 112.04 1c3d n GLY 45 Ca -0.20 -0.58 0.24 0.00 0.00 0.00 0.00 46.02 45.48 1c3d n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c3d h LEU 46 N 0.00 0.00 0.00 0.99 5.85 -1.20 0.18 115.31 121.13 1c3d h LEU 46 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1c3d h LEU 46 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1c3d h LEU 46 CO 0.00 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.26 1c3d n GLU 47 N -3.81 0.49 0.02 1.25 -0.00 -1.26 -2.54 120.64 114.79 1c3d n GLU 47 Ca 0.12 0.04 0.11 0.00 -0.00 0.00 0.00 57.16 57.44 1c3d n GLU 47 Cb 0.82 -1.50 -0.05 0.00 -0.00 0.00 0.00 31.44 30.71 1c3d n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1c3d n LYS 48 N -1.13 0.37 -0.15 3.44 5.02 0.63 -4.51 118.16 121.83 1c3d n LYS 48 Ca 0.13 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1c3d n LYS 48 Cb 0.11 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 1c3d n LYS 48 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1c3d h ARG 49 N 0.00 0.91 -0.88 1.97 2.43 -1.63 -2.63 114.38 114.55 1c3d h ARG 49 Ca 0.00 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1c3d h ARG 49 Cb 0.79 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1c3d h ARG 49 CO 0.00 1.04 0.50 0.37 -1.51 0.00 0.00 179.97 180.37 1c3d h GLN 50 N 0.74 1.20 -0.26 0.20 5.75 -1.79 0.06 115.11 121.01 1c3d h GLN 50 Ca 0.10 -0.12 -0.12 0.00 -0.15 0.00 0.00 58.65 58.36 1c3d h GLN 50 Cb 0.75 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1c3d h GLN 50 CO 0.06 0.86 -0.33 0.78 -2.65 0.00 0.00 178.83 177.55 1c3d h GLY 51 N 1.23 0.60 0.97 2.39 0.00 -1.83 -2.20 103.07 104.23 1c3d h GLY 51 Ca 0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1c3d h GLY 51 CO -0.05 0.50 0.15 0.00 0.00 0.00 0.00 176.54 177.13 1c3d h ALA 52 N 1.17 0.63 -0.31 3.60 0.00 -0.89 -0.62 119.26 122.85 1c3d h ALA 52 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1c3d h ALA 52 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1c3d h ALA 52 CO 0.07 0.29 -0.02 -0.07 0.00 0.00 0.00 179.25 179.52 1c3d h LEU 53 N 0.65 0.45 -0.34 0.00 -0.00 -0.89 -0.42 115.31 114.75 1c3d h LEU 53 Ca 0.16 -0.08 -0.13 0.00 -0.00 0.00 0.00 57.88 57.82 1c3d h LEU 53 Cb 0.28 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1c3d h LEU 53 CO -0.00 0.53 -0.28 -0.33 -0.00 0.00 0.00 178.44 178.35 1c3d h GLU 54 N 0.46 0.79 -0.57 1.13 5.08 -0.94 -0.42 114.58 120.12 1c3d h GLU 54 Ca 0.10 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1c3d h GLU 54 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1c3d h GLU 54 CO 0.01 1.03 0.22 -0.07 -1.00 0.00 0.00 179.01 179.19 1c3d h LEU 55 N 0.57 0.75 -0.46 1.33 3.38 -0.56 0.28 115.31 120.61 1c3d h LEU 55 Ca 0.06 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1c3d h LEU 55 Cb 0.85 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1c3d h LEU 55 CO 0.07 0.69 -0.02 0.40 0.09 0.00 0.00 178.44 179.67 1c3d h ILE 56 N 0.81 1.26 -0.72 1.22 2.04 -0.81 -0.80 117.51 120.52 1c3d h ILE 56 Ca 0.19 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1c3d h ILE 56 Cb 0.18 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1c3d h ILE 56 CO -0.02 0.37 0.27 0.50 0.00 0.00 0.00 178.15 179.27 1c3d h LYS 57 N 0.67 1.09 -0.48 2.37 3.64 -0.20 -0.82 116.57 122.84 1c3d h LYS 57 Ca 0.13 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1c3d h LYS 57 Cb 0.53 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1c3d h LYS 57 CO 0.03 0.90 0.24 -0.22 -2.27 0.00 0.00 179.45 178.13 1c3d h LYS 58 N 1.06 0.47 -0.34 1.90 3.64 -0.14 -0.01 116.57 123.15 1c3d h LYS 58 Ca 0.24 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1c3d h LYS 58 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1c3d h LYS 58 CO -0.02 0.31 0.14 0.78 -2.27 0.00 0.00 179.45 178.40 1c3d h GLY 59 N 0.48 0.54 0.98 5.01 0.00 -0.25 -0.66 103.07 109.17 1c3d h GLY 59 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1c3d h GLY 59 CO -0.14 0.27 -0.03 -1.82 0.00 0.00 0.00 176.54 174.82 1c3d h TYR 60 N 0.40 -0.08 -0.65 5.60 3.20 -0.75 -0.13 116.97 124.56 1c3d h TYR 60 Ca 0.11 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1c3d h TYR 60 Cb 0.17 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1c3d h TYR 60 CO -0.01 -0.03 0.35 1.15 -1.64 0.00 0.00 178.16 177.99 1c3d h THR 61 N -0.11 1.21 -0.75 1.81 2.02 -0.94 -2.10 112.91 114.05 1c3d h THR 61 Ca -0.01 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1c3d h THR 61 Cb 0.09 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1c3d h THR 61 CO 0.01 0.23 0.25 1.56 0.37 0.00 0.00 175.52 177.94 1c3d h GLN 62 N 0.89 1.15 -0.84 6.66 4.20 -0.97 -2.78 115.11 123.41 1c3d h GLN 62 Ca 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1c3d h GLN 62 Cb 0.05 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1c3d h GLN 62 CO -0.04 0.96 0.50 0.37 -0.67 0.00 0.00 178.83 179.95 1c3d h GLN 63 N 1.10 1.14 -0.09 1.46 5.75 -0.49 -1.61 115.11 122.39 1c3d h GLN 63 Ca 0.24 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1c3d h GLN 63 Cb 0.28 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1c3d h GLN 63 CO -0.01 0.81 0.16 -0.07 -2.65 0.00 0.00 178.83 177.06 1c3d h LEU 64 N 1.16 0.00 -1.87 -2.39 3.38 -1.10 0.95 115.31 115.45 1c3d h LEU 64 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1c3d h LEU 64 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1c3d h LEU 64 CO -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.46 1c3d h ALA 65 N 1.77 1.02 -0.39 1.53 0.00 -1.34 -2.37 119.26 119.47 1c3d h ALA 65 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c3d h ALA 65 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1c3d h ALA 65 CO -0.00 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.46 1c3d n PHE 66 N -3.14 0.88 -2.70 0.00 3.72 0.32 -4.90 117.46 111.64 1c3d n PHE 66 Ca -0.00 -0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 56.32 1c3d n PHE 66 Cb 0.25 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1c3d n PHE 66 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1c3d s ARG 67 N -1.81 4.20 0.64 -1.08 3.52 -0.89 -3.82 118.95 119.70 1c3d s ARG 67 Ca 0.36 1.21 -0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1c3d s ARG 67 Cb 0.25 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1c3d s ARG 67 CO 0.16 -0.66 0.99 -0.65 -0.81 0.00 0.00 175.30 174.33 1c3d s GLN 68 N 3.21 2.92 0.58 5.12 -0.21 0.58 -4.91 119.66 126.96 1c3d s GLN 68 Ca 0.42 0.23 0.29 0.00 0.02 0.00 0.00 55.36 56.31 1c3d s GLN 68 Cb -0.14 -2.16 1.49 0.00 1.00 0.00 0.00 33.01 33.20 1c3d s GLN 68 CO 0.08 -0.84 1.93 -1.35 -2.12 0.00 0.00 175.29 172.99 1c3d h PRO 69 N -0.39 0.00 0.00 2.91 0.11 -1.96 0.21 132.00 132.89 1c3d h PRO 69 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1c3d h PRO 69 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1c3d h PRO 69 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 1c3d n SER 70 N -3.80 0.00 0.00 -2.05 3.41 -1.26 -4.87 113.62 105.04 1c3d n SER 70 Ca 0.08 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1c3d n SER 70 Cb 0.64 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1c3d n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1c3d n SER 71 N -1.12 -1.64 -4.94 4.04 7.64 0.75 -4.69 113.62 113.64 1c3d n SER 71 Ca 0.19 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.83 1c3d n SER 71 Cb 0.16 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 62.72 1c3d n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c3d s ALA 72 N -2.72 3.48 0.07 -0.43 0.00 -1.26 -3.80 121.76 117.11 1c3d s ALA 72 Ca 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1c3d s ALA 72 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 1c3d s ALA 72 CO 0.00 -0.93 -0.18 -0.06 0.00 0.00 0.00 175.76 174.59 1c3d s PHE 73 N -2.97 1.60 0.16 0.00 0.40 -1.26 -0.31 117.98 115.60 1c3d s PHE 73 Ca 0.57 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 1c3d s PHE 73 Cb -0.10 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1c3d s PHE 73 CO 0.42 0.12 0.27 0.00 0.70 0.00 0.00 175.22 176.73 1c3d s ALA 74 N -1.03 0.03 0.25 5.36 0.00 -1.25 -1.70 121.76 123.43 1c3d s ALA 74 Ca 0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 1c3d s ALA 74 Cb -0.09 0.84 0.31 0.00 0.00 0.00 0.00 23.12 24.18 1c3d s ALA 74 CO 0.03 -0.63 1.89 0.00 0.00 0.00 0.00 175.76 177.04 1c3d h ALA 75 N 2.57 1.24 -3.49 0.00 0.00 -1.89 -3.38 119.26 114.31 1c3d h ALA 75 Ca -0.32 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 1c3d h ALA 75 Cb 1.22 -0.31 -0.23 0.00 0.00 0.00 0.00 17.79 18.47 1c3d h ALA 75 CO 0.49 0.44 -0.76 -0.06 0.00 0.00 0.00 179.25 179.36 1c3d s PHE 76 N -6.08 0.94 0.62 0.00 0.08 -1.26 -0.70 117.98 111.58 1c3d s PHE 76 Ca -0.13 -0.40 0.31 0.00 0.12 0.00 0.00 56.93 56.83 1c3d s PHE 76 Cb 0.18 -0.56 1.72 0.00 -0.57 0.00 0.00 43.02 43.80 1c3d s PHE 76 CO 0.80 -0.01 2.06 -0.39 -0.10 0.00 0.00 175.22 177.59 1c3d h VAL 77 N 4.51 0.29 -0.01 -0.44 -1.51 -1.89 -0.10 116.25 117.10 1c3d h VAL 77 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1c3d h VAL 77 Cb 1.19 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1c3d h VAL 77 CO 0.43 0.00 -0.37 0.29 -1.23 0.00 0.00 177.57 176.69 1c3d n LYS 78 N -3.50 1.01 -3.14 5.19 5.02 -1.26 -4.93 118.16 116.55 1c3d n LYS 78 Ca 0.01 -0.73 -0.36 0.00 -2.02 0.00 0.00 58.31 55.21 1c3d n LYS 78 Cb 0.36 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1c3d n LYS 78 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1c3d s ARG 79 N -2.49 4.23 0.33 1.97 3.52 -0.05 -5.03 118.95 121.43 1c3d s ARG 79 Ca 0.22 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.35 1c3d s ARG 79 Cb 0.19 -2.94 -0.11 0.00 -1.56 0.00 0.00 34.95 30.53 1c3d s ARG 79 CO 0.55 0.44 1.50 0.00 -0.81 0.00 0.00 175.30 176.98 1c3d s ALA 80 N -1.46 3.63 0.44 6.12 0.00 -1.26 -4.82 121.76 124.42 1c3d s ALA 80 Ca 0.41 1.52 -0.26 0.00 0.00 0.00 0.00 51.96 53.63 1c3d s ALA 80 Cb -0.17 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.26 1c3d s ALA 80 CO 0.21 -0.96 1.41 -1.25 0.00 0.00 0.00 175.76 175.18 1c3d s PRO 81 N -1.31 3.76 -0.20 0.00 0.04 -1.26 -4.80 135.00 131.22 1c3d s PRO 81 Ca 0.57 2.39 -0.10 0.00 0.04 0.00 0.00 61.00 63.90 1c3d s PRO 81 Cb -0.46 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1c3d s PRO 81 CO 0.55 -0.75 0.13 0.45 0.04 0.00 0.00 177.00 177.41 1c3d s SER 82 N -0.51 6.16 0.06 6.66 0.15 -0.69 -4.10 113.70 121.44 1c3d s SER 82 Ca 0.60 0.21 -0.24 0.00 0.70 0.00 0.00 55.95 57.22 1c3d s SER 82 Cb -0.43 -2.08 -0.16 0.00 -1.71 0.00 0.00 66.02 61.63 1c3d s SER 82 CO 0.56 0.17 1.63 0.74 1.20 0.00 0.00 173.24 177.54 1c3d h THR 83 N 4.72 1.09 0.53 6.45 2.02 -1.85 -1.37 112.91 124.49 1c3d h THR 83 Ca -0.40 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1c3d h THR 83 Cb 1.15 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1c3d h THR 83 CO 0.75 0.07 -0.33 -0.25 0.37 0.00 0.00 175.52 176.12 1c3d h TRP 84 N -0.11 -0.88 -0.65 3.16 7.01 -1.91 -1.23 115.95 121.33 1c3d h TRP 84 Ca -0.00 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.08 1c3d h TRP 84 Cb 0.11 0.32 -0.07 0.00 -2.10 0.00 0.00 29.16 27.42 1c3d h TRP 84 CO -0.04 -0.51 0.28 1.25 -2.79 0.00 0.00 178.44 176.63 1c3d h LEU 85 N -0.82 0.32 -0.61 0.65 5.85 -1.88 0.19 115.31 119.01 1c3d h LEU 85 Ca -0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1c3d h LEU 85 Cb 0.67 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1c3d h LEU 85 CO 0.05 0.19 0.39 0.74 -0.34 0.00 0.00 178.44 179.47 1c3d h THR 86 N 0.49 1.17 -0.46 1.05 2.02 -1.05 0.12 112.91 116.24 1c3d h THR 86 Ca 0.32 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1c3d h THR 86 Cb 0.37 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1c3d h THR 86 CO -0.29 0.17 -0.02 0.00 0.37 0.00 0.00 175.52 175.75 1c3d h ALA 87 N 1.20 1.10 -0.55 6.16 0.00 -0.22 -1.83 119.26 125.12 1c3d h ALA 87 Ca 0.22 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1c3d h ALA 87 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1c3d h ALA 87 CO -0.04 0.57 -0.07 -0.92 0.00 0.00 0.00 179.25 178.78 1c3d h TYR 88 N 0.72 1.13 -0.76 0.00 3.20 0.12 0.41 116.97 121.79 1c3d h TYR 88 Ca 0.14 -0.22 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1c3d h TYR 88 Cb 0.47 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1c3d h TYR 88 CO 0.02 1.04 0.48 0.28 -1.64 0.00 0.00 178.16 178.34 1c3d h VAL 89 N 0.90 1.11 -0.53 1.81 2.07 -0.69 0.01 116.25 120.94 1c3d h VAL 89 Ca 0.15 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1c3d h VAL 89 Cb 0.64 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1c3d h VAL 89 CO 0.04 0.17 0.19 0.58 0.02 0.00 0.00 177.57 178.58 1c3d h VAL 90 N 0.94 1.22 -0.24 2.57 2.07 -0.78 0.68 116.25 122.71 1c3d h VAL 90 Ca 0.30 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1c3d h VAL 90 Cb 0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1c3d h VAL 90 CO -0.11 0.27 0.07 0.50 0.02 0.00 0.00 177.57 178.32 1c3d h LYS 91 N 0.71 0.17 0.04 1.57 3.64 0.18 0.20 116.57 123.09 1c3d h LYS 91 Ca 0.17 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1c3d h LYS 91 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1c3d h LYS 91 CO -0.01 0.11 -0.02 0.28 -2.27 0.00 0.00 179.45 177.54 1c3d h VAL 92 N 0.18 1.29 -0.75 2.00 2.07 -0.84 -3.03 116.25 117.16 1c3d h VAL 92 Ca 0.10 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1c3d h VAL 92 Cb 0.08 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1c3d h VAL 92 CO -0.12 0.29 0.44 -0.26 0.02 0.00 0.00 177.57 177.94 1c3d h PHE 93 N -0.57 0.81 -0.78 1.57 -1.00 -0.79 -1.40 116.94 114.78 1c3d h PHE 93 Ca -0.01 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1c3d h PHE 93 Cb 0.51 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 1c3d h PHE 93 CO 0.10 0.40 0.52 0.77 -1.61 0.00 0.00 178.31 178.48 1c3d h SER 94 N 0.81 0.90 1.51 2.17 0.02 -1.00 -2.11 113.55 115.84 1c3d h SER 94 Ca 0.33 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1c3d h SER 94 Cb 0.19 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1c3d h SER 94 CO -0.18 0.65 -0.21 0.25 -1.14 0.00 0.00 176.83 176.20 1c3d h LEU 95 N 1.06 0.00 -1.74 5.07 6.46 -1.23 -3.14 115.31 121.78 1c3d h LEU 95 Ca 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1c3d h LEU 95 Cb -0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1c3d h LEU 95 CO -0.06 0.21 0.00 0.00 -0.62 0.00 0.00 178.44 177.97 1c3d n ALA 96 N -2.17 2.46 -0.09 1.25 0.00 -0.60 -4.49 120.51 116.87 1c3d n ALA 96 Ca 0.02 -0.79 0.18 0.00 0.00 0.00 0.00 53.44 52.86 1c3d n ALA 96 Cb 0.55 -0.98 0.61 0.00 0.00 0.00 0.00 19.45 19.63 1c3d n ALA 96 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1c3d h VAL 97 N 3.22 0.75 -0.04 0.00 -1.51 -1.44 0.49 116.25 117.73 1c3d h VAL 97 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1c3d h VAL 97 Cb 0.72 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1c3d h VAL 97 CO 0.00 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 176.97 1c3d n ASN 98 N -4.42 1.97 -0.10 4.19 5.03 -1.26 -4.14 115.26 116.53 1c3d n ASN 98 Ca 0.12 -1.66 -0.19 0.00 0.87 0.00 0.00 54.58 53.72 1c3d n ASN 98 Cb 0.59 -0.01 -0.12 0.00 -1.02 0.00 0.00 39.78 39.22 1c3d n ASN 98 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1c3d n LEU 99 N 0.54 2.88 -4.15 3.41 4.77 0.12 -5.03 117.00 119.53 1c3d n LEU 99 Ca 0.17 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1c3d n LEU 99 Cb 0.43 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1c3d n LEU 99 CO 0.16 0.91 -0.02 0.27 -1.33 0.00 0.00 177.39 177.38 1c3d s ILE 100 N -2.53 0.00 -0.61 -0.08 -4.36 -0.92 -5.03 121.20 107.67 1c3d s ILE 100 Ca -0.32 -1.78 -0.27 0.00 -0.26 0.00 0.00 60.65 58.02 1c3d s ILE 100 Cb 0.09 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.34 1c3d s ILE 100 CO 0.64 0.00 1.14 0.00 0.24 0.00 0.00 174.94 176.96 1c3d s ALA 101 N -3.63 2.99 -0.24 2.27 0.00 -1.26 -4.52 121.76 117.37 1c3d s ALA 101 Ca 0.34 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1c3d s ALA 101 Cb 0.02 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1c3d s ALA 101 CO 0.18 -2.73 0.30 0.42 0.00 0.00 0.00 175.76 173.93 1c3d s ILE 102 N 4.83 5.25 -0.23 0.00 -1.09 -1.26 -5.04 121.20 123.66 1c3d s ILE 102 Ca 0.37 0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 1c3d s ILE 102 Cb -0.09 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1c3d s ILE 102 CO 0.21 0.25 1.54 -0.62 -1.23 0.00 0.00 174.94 175.09 1c3d s ASP 103 N 1.33 6.46 0.36 3.58 2.15 -1.26 -4.89 116.67 124.40 1c3d s ASP 103 Ca 0.13 1.54 0.13 0.00 0.43 0.00 0.00 52.55 54.78 1c3d s ASP 103 Cb -0.15 -2.53 0.96 0.00 -0.30 0.00 0.00 42.92 40.90 1c3d s ASP 103 CO 0.08 -1.20 1.78 0.28 -0.17 0.00 0.00 175.17 175.94 1c3d h SER 104 N 10.33 0.58 -0.49 -0.34 0.02 -1.99 0.43 113.55 122.10 1c3d h SER 104 Ca -0.32 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1c3d h SER 104 Cb 1.14 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 1c3d h SER 104 CO 1.01 0.16 0.22 1.56 -1.14 0.00 0.00 176.83 178.63 1c3d h GLN 105 N 0.54 0.42 0.24 3.45 1.08 -1.97 0.25 115.11 119.11 1c3d h GLN 105 Ca 0.58 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.74 1c3d h GLN 105 Cb 1.23 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1c3d h GLN 105 CO -0.33 0.28 -0.11 0.28 -0.95 0.00 0.00 178.83 177.99 1c3d h VAL 106 N 0.43 0.82 0.63 -0.54 2.07 -1.34 0.38 116.25 118.70 1c3d h VAL 106 Ca 0.22 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1c3d h VAL 106 Cb 0.17 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1c3d h VAL 106 CO -0.18 0.09 -0.42 0.25 0.02 0.00 0.00 177.57 177.32 1c3d h LEU 107 N -0.53 -1.08 -1.49 2.57 5.85 -1.03 -2.04 115.31 117.57 1c3d h LEU 107 Ca -0.03 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1c3d h LEU 107 Cb 0.39 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1c3d h LEU 107 CO 0.05 -0.64 -0.19 0.00 -0.34 0.00 0.00 178.44 177.33 1c3d h GLY 109 N 1.49 0.63 0.96 0.00 0.00 0.11 0.17 103.07 106.42 1c3d h GLY 109 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1c3d h GLY 109 CO 0.02 0.39 0.15 0.00 0.00 0.00 0.00 176.54 177.10 1c3d h ALA 110 N 0.90 0.59 -0.23 3.60 0.00 -0.93 -1.32 119.26 121.88 1c3d h ALA 110 Ca 0.11 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1c3d h ALA 110 Cb 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1c3d h ALA 110 CO 0.01 0.23 0.07 0.28 0.00 0.00 0.00 179.25 179.84 1c3d h VAL 111 N 0.59 0.93 -0.42 0.00 2.07 -1.17 -2.03 116.25 116.23 1c3d h VAL 111 Ca 0.15 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1c3d h VAL 111 Cb 0.25 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1c3d h VAL 111 CO -0.01 0.03 0.20 0.50 0.02 0.00 0.00 177.57 178.32 1c3d h LYS 112 N 0.17 0.39 -0.44 1.57 3.64 -0.67 -2.47 116.57 118.76 1c3d h LYS 112 Ca 0.10 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1c3d h LYS 112 Cb 0.08 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1c3d h LYS 112 CO -0.11 0.26 0.19 2.35 -2.27 0.00 0.00 179.45 179.87 1c3d h TRP 113 N 0.41 0.34 -0.50 1.91 7.01 -0.94 -1.01 115.95 123.16 1c3d h TRP 113 Ca 0.18 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1c3d h TRP 113 Cb 0.10 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1c3d h TRP 113 CO -0.11 0.15 0.30 -0.07 -2.79 0.00 0.00 178.44 175.92 1c3d h LEU 114 N 0.38 0.48 0.06 0.65 3.38 -1.01 0.19 115.31 119.44 1c3d h LEU 114 Ca 0.20 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c3d h LEU 114 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1c3d h LEU 114 CO -0.17 0.34 -0.03 0.40 0.09 0.00 0.00 178.44 179.07 1c3d h ILE 115 N 0.59 1.18 0.00 1.22 2.04 -1.11 -0.78 117.51 120.65 1c3d h ILE 115 Ca 0.20 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1c3d h ILE 115 Cb 0.02 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1c3d h ILE 115 CO -0.09 0.21 -0.06 -0.07 0.00 0.00 0.00 178.15 178.13 1c3d h LEU 116 N -0.45 0.00 0.00 1.44 3.38 -1.18 -3.33 115.31 115.17 1c3d h LEU 116 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1c3d h LEU 116 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1c3d h LEU 116 CO 0.01 0.06 -1.43 -0.62 0.09 0.00 0.00 178.44 176.56 1c3d n GLU 117 N -3.13 2.79 -0.08 1.13 -0.58 0.05 -4.83 120.64 115.99 1c3d n GLU 117 Ca 0.03 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.81 1c3d n GLU 117 Cb 0.51 -1.16 0.08 0.00 -0.57 0.00 0.00 31.44 30.29 1c3d n GLU 117 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1c3d n LYS 118 N -2.27 2.09 -3.98 3.49 4.76 -0.31 -4.98 118.16 116.97 1c3d n LYS 118 Ca -0.10 -1.59 -0.35 0.00 -2.87 0.00 0.00 58.31 53.40 1c3d n LYS 118 Cb 0.70 -1.16 -0.11 0.00 -1.84 0.00 0.00 35.03 32.62 1c3d n LYS 118 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1c3d s GLN 119 N -0.88 3.82 0.77 1.97 0.74 -1.14 -1.21 119.66 123.72 1c3d s GLN 119 Ca 0.13 -0.42 -0.12 0.00 0.05 0.00 0.00 55.36 55.00 1c3d s GLN 119 Cb 0.07 -3.22 0.05 0.00 1.10 0.00 0.00 33.01 31.02 1c3d s GLN 119 CO 0.10 0.10 1.12 0.15 -0.55 0.00 0.00 175.29 176.21 1c3d s LYS 120 N 0.84 2.33 0.43 1.67 1.02 0.18 -4.91 119.74 121.29 1c3d s LYS 120 Ca 0.03 0.38 0.13 0.00 0.02 0.00 0.00 55.97 56.53 1c3d s LYS 120 Cb -0.14 -1.97 1.01 0.00 -0.52 0.00 0.00 37.83 36.22 1c3d s LYS 120 CO 0.02 -1.39 1.99 -1.35 -0.92 0.00 0.00 175.35 173.70 1c3d h PRO 121 N -0.92 0.41 0.00 -1.68 0.11 -1.99 0.01 132.00 127.94 1c3d h PRO 121 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1c3d h PRO 121 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1c3d h PRO 121 CO 0.63 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 1c3d n ASP 122 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.64 1c3d n ASP 122 Ca 0.09 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 1c3d n ASP 122 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1c3d n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c3d n GLY 123 N 0.78 0.61 3.75 6.12 0.00 -0.01 -4.27 105.19 112.18 1c3d n GLY 123 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1c3d n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c3d s VAL 124 N -2.23 3.14 -0.17 1.61 1.01 -1.25 -3.94 120.40 118.58 1c3d s VAL 124 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 1c3d s VAL 124 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1c3d s VAL 124 CO 0.00 0.21 0.24 -0.36 0.00 0.00 0.00 175.10 175.20 1c3d s PHE 125 N -0.64 3.45 0.06 5.22 0.08 -1.26 0.50 117.98 125.39 1c3d s PHE 125 Ca 0.51 0.52 0.07 0.00 0.12 0.00 0.00 56.93 58.15 1c3d s PHE 125 Cb -0.36 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 1c3d s PHE 125 CO 0.44 0.27 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.55 1c3d s GLN 126 N 0.37 2.13 -0.25 0.44 0.74 -0.35 -4.51 119.66 118.22 1c3d s GLN 126 Ca 0.14 -0.97 -0.06 0.00 0.05 0.00 0.00 55.36 54.51 1c3d s GLN 126 Cb -0.12 -2.26 -0.02 0.00 1.10 0.00 0.00 33.01 31.71 1c3d s GLN 126 CO 0.02 0.54 0.04 -2.00 -0.55 0.00 0.00 175.29 173.34 1c3d s GLU 127 N -1.70 3.55 -0.00 1.67 2.56 -1.26 -4.73 118.70 118.78 1c3d s GLU 127 Ca 0.17 -0.54 0.20 0.00 0.00 0.00 0.00 54.97 54.80 1c3d s GLU 127 Cb -0.11 -3.25 -0.23 0.00 2.00 0.00 0.00 34.13 32.54 1c3d s GLU 127 CO 0.08 -0.21 0.79 -0.25 -0.56 0.00 0.00 175.26 175.11 1c3d n ASP 128 N 4.89 0.85 -3.27 -1.70 8.00 -1.26 -4.76 116.55 119.30 1c3d n ASP 128 Ca -0.17 -0.84 -0.22 0.00 0.71 0.00 0.00 54.79 54.28 1c3d n ASP 128 Cb 0.51 1.12 -0.08 0.00 -0.02 0.00 0.00 41.12 42.66 1c3d n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c3d s ALA 129 N -2.95 0.45 0.44 2.24 0.00 -1.26 -5.06 121.76 115.62 1c3d s ALA 129 Ca 0.06 -1.83 -0.24 0.00 0.00 0.00 0.00 51.96 49.95 1c3d s ALA 129 Cb 0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 1c3d s ALA 129 CO 0.82 -2.06 0.98 -2.30 0.00 0.00 0.00 175.76 173.20 1c3d n PRO 130 N 3.13 1.27 -2.08 0.00 -0.02 -1.26 -4.09 135.00 131.95 1c3d n PRO 130 Ca 0.24 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 1c3d n PRO 130 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1c3d n PRO 130 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1c3d s VAL 131 N -1.31 2.69 0.08 -1.45 -7.23 -1.26 -4.93 120.40 106.98 1c3d s VAL 131 Ca 0.64 0.56 -0.22 0.00 -1.81 0.00 0.00 61.98 61.15 1c3d s VAL 131 Cb -0.55 -3.30 -0.12 0.00 0.56 0.00 0.00 36.38 32.97 1c3d s VAL 131 CO 0.56 0.03 1.61 0.40 -0.31 0.00 0.00 175.10 177.39 1c3d h ILE 132 N 2.02 1.15 -0.41 -0.62 2.04 -2.02 -3.34 117.51 116.33 1c3d h ILE 132 Ca -0.50 -0.45 -0.66 0.00 1.00 0.00 0.00 64.86 64.25 1c3d h ILE 132 Cb 1.26 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1c3d h ILE 132 CO 0.61 0.13 2.50 1.41 0.00 0.00 0.00 178.15 182.80 1c3d n HIS 133 N -4.91 3.82 0.32 1.37 8.25 -1.26 -4.76 115.22 118.05 1c3d n HIS 133 Ca -0.05 -2.70 0.20 0.00 -0.26 0.00 0.00 57.72 54.90 1c3d n HIS 133 Cb 0.12 -2.53 1.09 0.00 1.12 0.00 0.00 29.99 29.79 1c3d n HIS 133 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1c3d h GLN 134 N 7.13 0.00 0.00 -0.41 1.08 -1.99 -1.43 115.11 119.50 1c3d h GLN 134 Ca 0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1c3d h GLN 134 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1c3d h GLN 134 CO 1.66 0.00 0.00 1.05 -0.95 0.00 0.00 178.83 180.59 1c3d h GLU 135 N 0.00 0.00 -0.00 1.46 9.09 -1.95 -3.12 114.58 120.06 1c3d h GLU 135 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1c3d h GLU 135 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1c3d h GLU 135 CO -0.00 0.00 -0.14 0.00 0.05 0.00 0.00 179.01 178.92 1c3d n MET 136 N -2.57 0.55 -0.16 1.06 0.00 -0.54 -3.89 117.12 111.57 1c3d n MET 136 Ca 0.02 -0.19 0.12 0.00 0.00 0.00 0.00 57.70 57.65 1c3d n MET 136 Cb 0.31 -1.50 0.23 0.00 0.00 0.00 0.00 33.22 32.27 1c3d n MET 136 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1c3d n ILE 137 N -1.06 0.41 -4.02 3.17 -5.35 -1.18 -4.06 119.36 107.27 1c3d n ILE 137 Ca 0.13 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1c3d n ILE 137 Cb 0.29 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1c3d n ILE 137 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c3d n GLY 138 N 1.43 2.71 0.14 3.28 0.00 -1.25 -2.53 105.19 108.97 1c3d n GLY 138 Ca 0.18 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1c3d n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3d n GLY 139 N 0.00 -0.73 0.27 -0.02 0.00 -1.26 -1.00 105.19 102.45 1c3d n GLY 139 Ca 0.00 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1c3d n GLY 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1c3d h LEU 140 N 0.00 0.00 -1.83 0.99 4.07 -1.90 -3.04 115.31 113.60 1c3d h LEU 140 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1c3d h LEU 140 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1c3d h LEU 140 CO 0.00 0.00 0.00 -0.09 -1.08 0.00 0.00 178.44 177.27 1c3d h ARG 141 N 0.00 0.11 -6.38 1.13 2.43 -1.25 -3.38 114.38 107.03 1c3d h ARG 141 Ca 0.00 -0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.59 1c3d h ARG 141 Cb 0.53 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1c3d h ARG 141 CO 0.00 0.12 1.16 1.21 -1.51 0.00 0.00 179.97 180.94 1c3d s ASN 142 N -6.98 6.18 0.00 -3.80 3.84 -1.15 -4.88 114.94 108.15 1c3d s ASN 142 Ca -0.05 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.18 1c3d s ASN 142 Cb 0.17 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1c3d s ASN 142 CO 0.69 -1.50 0.60 0.59 -2.79 0.00 0.00 177.10 174.69 1c3d n ASN 143 N 9.28 0.00 -4.71 -4.21 5.03 -1.26 -4.74 115.26 114.65 1c3d n ASN 143 Ca 0.19 0.11 -0.42 0.00 0.87 0.00 0.00 54.58 55.34 1c3d n ASN 143 Cb 0.47 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 1c3d n ASN 143 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1c3d s ASN 144 N -2.20 7.32 -1.14 6.41 0.01 -1.26 -3.68 114.94 120.40 1c3d s ASN 144 Ca 0.00 1.78 -0.07 0.00 -0.71 0.00 0.00 52.86 53.86 1c3d s ASN 144 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1c3d s ASN 144 CO 0.00 -0.28 1.00 -0.62 -1.51 0.00 0.00 177.10 175.69 1c3d n GLU 145 N 3.67 -6.70 -0.19 -0.60 1.02 -1.26 -4.92 120.64 111.67 1c3d n GLU 145 Ca 0.06 0.70 -0.07 0.00 -0.02 0.00 0.00 57.16 57.83 1c3d n GLU 145 Cb 0.49 -5.37 0.02 0.00 -0.02 0.00 0.00 31.44 26.57 1c3d n GLU 145 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1c3d h LYS 146 N -2.25 0.73 -0.44 3.49 2.10 -1.86 -1.34 116.57 116.99 1c3d h LYS 146 Ca -0.48 -0.07 0.05 0.00 -2.00 0.00 0.00 60.65 58.15 1c3d h LYS 146 Cb 1.31 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 32.44 1c3d h LYS 146 CO 0.47 0.53 0.17 -0.44 -2.00 0.00 0.00 179.45 178.18 1c3d h ASP 147 N 0.72 0.19 -0.02 7.07 5.19 -1.92 0.11 116.42 127.78 1c3d h ASP 147 Ca 0.19 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1c3d h ASP 147 Cb -0.01 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1c3d h ASP 147 CO -0.04 0.15 -0.00 0.24 -3.12 0.00 0.00 179.24 176.47 1c3d h MET 148 N 0.35 0.04 -0.35 3.56 2.86 -1.92 -1.68 114.93 117.79 1c3d h MET 148 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1c3d h MET 148 Cb 0.18 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1c3d h MET 148 CO -0.19 0.37 0.22 0.00 1.06 0.00 0.00 176.91 178.37 1c3d h ALA 149 N 0.66 0.44 -0.27 6.32 0.00 -1.03 -0.67 119.26 124.70 1c3d h ALA 149 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1c3d h ALA 149 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1c3d h ALA 149 CO 0.00 -0.08 -0.14 1.25 0.00 0.00 0.00 179.25 180.28 1c3d h LEU 150 N 0.46 0.59 -0.84 0.00 5.85 -0.83 -0.84 115.31 119.70 1c3d h LEU 150 Ca 0.13 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1c3d h LEU 150 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1c3d h LEU 150 CO -0.03 0.87 0.54 0.74 -0.34 0.00 0.00 178.44 180.23 1c3d h THR 151 N 0.31 1.22 -0.31 1.05 2.02 -1.22 0.26 112.91 116.25 1c3d h THR 151 Ca 0.06 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1c3d h THR 151 Cb 0.65 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1c3d h THR 151 CO 0.04 0.22 0.15 0.00 0.37 0.00 0.00 175.52 176.31 1c3d h ALA 152 N 1.30 0.40 0.07 6.16 0.00 -1.04 0.15 119.26 126.30 1c3d h ALA 152 Ca 0.31 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1c3d h ALA 152 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1c3d h ALA 152 CO -0.06 -0.05 -0.15 0.35 0.00 0.00 0.00 179.25 179.34 1c3d h PHE 153 N 0.37 -0.38 -0.59 0.00 3.57 -0.32 -0.00 116.94 119.59 1c3d h PHE 153 Ca 0.11 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1c3d h PHE 153 Cb 0.10 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1c3d h PHE 153 CO -0.02 -0.22 0.09 0.28 -2.23 0.00 0.00 178.31 176.21 1c3d h VAL 154 N -0.28 1.26 -0.95 1.41 2.07 -0.90 -2.68 116.25 116.17 1c3d h VAL 154 Ca 0.03 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.61 1c3d h VAL 154 Cb 0.31 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1c3d h VAL 154 CO -0.09 0.36 0.62 0.25 0.02 0.00 0.00 177.57 178.73 1c3d h LEU 155 N 0.87 1.00 -0.90 2.57 5.85 -0.39 -0.65 115.31 123.66 1c3d h LEU 155 Ca 0.18 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1c3d h LEU 155 Cb 0.42 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1c3d h LEU 155 CO 0.01 0.65 0.08 0.40 -0.34 0.00 0.00 178.44 179.24 1c3d h ILE 156 N 1.14 1.24 -0.23 4.05 2.04 -0.68 -0.89 117.51 124.18 1c3d h ILE 156 Ca 0.40 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1c3d h ILE 156 Cb 0.12 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1c3d h ILE 156 CO -0.14 0.35 0.01 0.28 0.00 0.00 0.00 178.15 178.64 1c3d h SER 157 N 0.84 0.38 -0.95 1.72 0.02 -0.92 -2.05 113.55 112.60 1c3d h SER 157 Ca 0.17 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1c3d h SER 157 Cb 0.39 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1c3d h SER 157 CO 0.01 0.59 0.60 -0.07 -1.14 0.00 0.00 176.83 176.81 1c3d h LEU 158 N 0.17 1.12 -0.78 5.07 3.38 -0.87 -2.04 115.31 121.36 1c3d h LEU 158 Ca 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1c3d h LEU 158 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1c3d h LEU 158 CO 0.01 0.84 -0.20 1.56 0.09 0.00 0.00 178.44 180.74 1c3d h GLN 159 N 1.29 0.71 0.00 1.13 4.20 -1.06 -0.69 115.11 120.69 1c3d h GLN 159 Ca 0.34 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1c3d h GLN 159 Cb -0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1c3d h GLN 159 CO -0.07 0.86 -0.26 0.93 -0.67 0.00 0.00 178.83 179.62 1c3d h GLU 160 N 0.63 0.00 -0.63 1.46 5.08 -0.71 -2.72 114.58 117.69 1c3d h GLU 160 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1c3d h GLU 160 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1c3d h GLU 160 CO 0.05 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1c3d n ALA 161 N -2.29 2.40 0.32 3.43 0.00 -0.83 -4.65 120.51 118.88 1c3d n ALA 161 Ca -0.01 -1.31 -0.16 0.00 0.00 0.00 0.00 53.44 51.96 1c3d n ALA 161 Cb 0.40 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1c3d n ALA 161 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1c3d h LYS 162 N 3.72 -0.77 -0.39 0.00 3.64 -0.81 -0.56 116.57 121.41 1c3d h LYS 162 Ca 0.00 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1c3d h LYS 162 Cb 0.98 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 1c3d h LYS 162 CO 0.02 -0.47 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.17 1c3d h ASP 163 N -0.91 -0.42 -0.49 4.20 3.32 -1.82 0.73 116.42 121.02 1c3d h ASP 163 Ca -0.08 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1c3d h ASP 163 Cb 0.65 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1c3d h ASP 163 CO 0.13 -0.15 0.04 0.40 -1.72 0.00 0.00 179.24 177.94 1c3d h ILE 164 N -0.03 1.25 -0.02 0.35 2.04 -1.87 -3.30 117.51 115.94 1c3d h ILE 164 Ca 0.19 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1c3d h ILE 164 Cb 0.31 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1c3d h ILE 164 CO -0.41 0.37 -0.32 0.00 0.00 0.00 0.00 178.15 177.79 1c3d h GLU 166 N 2.39 -0.20 -0.35 0.00 5.08 0.37 0.49 114.58 122.36 1c3d h GLU 166 Ca 0.00 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1c3d h GLU 166 Cb 0.66 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1c3d h GLU 166 CO 0.00 -0.13 -0.39 1.49 -1.00 0.00 0.00 179.01 178.98 1c3d h GLU 167 N -0.20 0.85 0.00 2.33 4.57 -1.83 -3.12 114.58 117.18 1c3d h GLU 167 Ca 0.17 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.84 1c3d h GLU 167 Cb 0.47 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1c3d h GLU 167 CO -0.46 1.09 -0.30 1.96 -1.18 0.00 0.00 179.01 180.12 1c3d h GLN 168 N 0.70 0.00 -2.85 1.92 4.20 -1.72 -3.38 115.11 113.99 1c3d h GLN 168 Ca 0.06 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.16 1c3d h GLN 168 Cb 0.97 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.35 1c3d h GLN 168 CO 0.09 0.30 -0.76 0.08 -0.67 0.00 0.00 178.83 177.87 1c3d s VAL 169 N -3.50 1.53 0.41 -0.54 1.01 0.17 -5.00 120.40 114.47 1c3d s VAL 169 Ca 0.01 -3.06 0.13 0.00 0.00 0.00 0.00 61.98 59.06 1c3d s VAL 169 Cb 0.10 -2.04 0.33 0.00 0.00 0.00 0.00 36.38 34.77 1c3d s VAL 169 CO 0.67 -1.02 1.94 0.78 0.00 0.00 0.00 175.10 177.46 1c3d h ASN 170 N 6.07 0.47 0.00 3.32 -0.26 -1.74 -1.69 115.58 121.74 1c3d h ASN 170 Ca 0.11 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1c3d h ASN 170 Cb 0.87 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1c3d h ASN 170 CO 0.52 0.26 0.00 -1.54 -1.06 0.00 0.00 177.43 175.61 1c3d n SER 171 N -4.49 0.00 0.40 5.81 3.41 -1.26 -4.16 113.62 113.33 1c3d n SER 171 Ca 0.13 -1.09 -0.17 0.00 -0.26 0.00 0.00 58.87 57.47 1c3d n SER 171 Cb 0.43 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1c3d n SER 171 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1c3d h LEU 172 N 0.00 -0.86 -0.79 1.04 5.85 -1.64 -2.08 115.31 116.82 1c3d h LEU 172 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1c3d h LEU 172 Cb 0.00 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1c3d h LEU 172 CO 0.00 -0.54 0.40 -0.65 -0.34 0.00 0.00 178.44 177.31 1c3d h PRO 173 N -1.14 0.60 -0.77 5.25 0.11 -1.82 -0.38 132.00 133.85 1c3d h PRO 173 Ca -0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 1c3d h PRO 173 Cb 0.79 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1c3d h PRO 173 CO 0.17 0.39 0.28 0.78 -0.21 0.00 0.00 178.00 179.42 1c3d h GLY 174 N 0.61 1.25 0.94 -0.55 0.00 -1.82 -1.67 103.07 101.83 1c3d h GLY 174 Ca 0.42 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1c3d h GLY 174 CO -0.33 0.66 0.09 0.23 0.00 0.00 0.00 176.54 177.20 1c3d h SER 175 N 1.12 0.15 -0.66 0.19 0.87 -0.39 -0.88 113.55 113.95 1c3d h SER 175 Ca 0.25 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1c3d h SER 175 Cb 0.25 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1c3d h SER 175 CO -0.02 0.11 0.42 0.40 -0.53 0.00 0.00 176.83 177.21 1c3d h ILE 176 N 0.20 1.18 -0.56 2.23 2.04 -0.96 -1.65 117.51 120.00 1c3d h ILE 176 Ca 0.07 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1c3d h ILE 176 Cb 0.01 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1c3d h ILE 176 CO -0.04 0.18 0.11 0.74 0.00 0.00 0.00 178.15 179.14 1c3d h THR 177 N 0.90 1.25 0.02 -0.27 2.02 -0.99 -1.23 112.91 114.61 1c3d h THR 177 Ca 0.24 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1c3d h THR 177 Cb -0.06 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1c3d h THR 177 CO -0.05 0.34 -0.01 0.11 0.37 0.00 0.00 175.52 176.28 1c3d h LYS 178 N 0.80 -0.02 -0.72 6.66 1.79 -0.82 0.20 116.57 124.45 1c3d h LYS 178 Ca 0.17 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1c3d h LYS 178 Cb 0.38 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1c3d h LYS 178 CO 0.01 0.08 0.48 0.00 -1.08 0.00 0.00 179.45 178.93 1c3d h ALA 179 N 0.86 0.92 -0.80 3.86 0.00 -1.30 -0.86 119.26 121.94 1c3d h ALA 179 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1c3d h ALA 179 Cb 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1c3d h ALA 179 CO 0.00 0.34 0.50 0.78 0.00 0.00 0.00 179.25 180.87 1c3d h GLY 180 N 0.98 1.14 0.96 0.00 0.00 -0.88 -0.64 103.07 104.64 1c3d h GLY 180 Ca 0.26 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1c3d h GLY 180 CO -0.06 0.44 0.15 -0.55 0.00 0.00 0.00 176.54 176.53 1c3d h ASP 181 N 1.09 0.33 -0.47 0.19 3.32 0.58 -0.34 116.42 121.14 1c3d h ASP 181 Ca 0.29 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1c3d h ASP 181 Cb -0.07 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1c3d h ASP 181 CO -0.06 0.32 0.30 0.15 -1.72 0.00 0.00 179.24 178.23 1c3d h PHE 182 N 0.32 0.56 -0.14 4.55 3.57 -0.31 -1.60 116.94 123.90 1c3d h PHE 182 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1c3d h PHE 182 Cb 0.06 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1c3d h PHE 182 CO -0.03 0.34 0.04 -0.07 -2.23 0.00 0.00 178.31 176.36 1c3d h LEU 183 N 0.60 0.21 -0.83 0.59 3.38 -0.92 -2.91 115.31 115.43 1c3d h LEU 183 Ca 0.18 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1c3d h LEU 183 Cb -0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1c3d h LEU 183 CO -0.05 0.37 0.54 -0.08 0.09 0.00 0.00 178.44 179.30 1c3d h GLU 184 N 0.04 1.02 -0.00 1.13 4.81 -0.93 0.50 114.58 121.13 1c3d h GLU 184 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1c3d h GLU 184 Cb 0.23 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1c3d h GLU 184 CO -0.00 0.67 -0.27 0.00 -0.73 0.00 0.00 179.01 178.68 1c3d h ALA 185 N 1.34 1.55 -0.03 2.92 0.00 -1.23 -3.20 119.26 120.62 1c3d h ALA 185 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c3d h ALA 185 Cb -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c3d h ALA 185 CO -0.11 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1c3d n ASN 186 N -4.22 1.81 -0.34 0.00 3.02 -0.99 -4.73 115.26 109.82 1c3d n ASN 186 Ca -0.02 -1.41 0.07 0.00 -0.03 0.00 0.00 54.58 53.18 1c3d n ASN 186 Cb 0.32 -0.01 0.25 0.00 -0.61 0.00 0.00 39.78 39.73 1c3d n ASN 186 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1c3d h TYR 187 N 1.75 1.09 0.00 3.10 3.20 -0.90 -1.40 116.97 123.81 1c3d h TYR 187 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1c3d h TYR 187 Cb 0.39 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1c3d h TYR 187 CO 0.01 0.47 0.00 -1.33 -1.64 0.00 0.00 178.16 175.67 1c3d n MET 188 N -4.57 0.12 0.02 1.82 2.81 -1.26 -2.54 117.12 113.52 1c3d n MET 188 Ca 0.17 0.39 0.12 0.00 -1.81 0.00 0.00 57.70 56.57 1c3d n MET 188 Cb 0.32 -1.74 0.11 0.00 -0.71 0.00 0.00 33.22 31.20 1c3d n MET 188 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1c3d n ASN 189 N -1.97 0.62 -4.77 7.83 5.03 -0.53 -4.96 115.26 116.51 1c3d n ASN 189 Ca 0.02 -0.20 -0.41 0.00 0.87 0.00 0.00 54.58 54.86 1c3d n ASN 189 Cb 0.19 0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 39.44 1c3d n ASN 189 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1c3d s LEU 190 N -3.65 4.32 -0.08 3.41 1.43 -1.05 -4.93 118.68 118.12 1c3d s LEU 190 Ca 0.07 3.04 0.08 0.00 -1.03 0.00 0.00 54.13 56.29 1c3d s LEU 190 Cb 0.15 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 1c3d s LEU 190 CO 0.76 -0.88 0.04 0.00 0.23 0.00 0.00 176.35 176.50 1c3d n GLN 191 N 0.74 2.38 -2.76 1.70 1.13 -1.26 -5.01 117.38 114.32 1c3d n GLN 191 Ca 0.02 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 1c3d n GLN 191 Cb 0.39 -1.23 -0.04 0.00 0.11 0.00 0.00 30.24 29.47 1c3d n GLN 191 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1c3d s ARG 192 N -2.25 4.61 0.42 -1.09 0.52 -1.26 -4.94 118.95 114.95 1c3d s ARG 192 Ca -0.04 1.38 0.10 0.00 -0.52 0.00 0.00 55.73 56.65 1c3d s ARG 192 Cb 0.03 -3.42 0.89 0.00 0.52 0.00 0.00 34.95 32.97 1c3d s ARG 192 CO 0.37 0.09 1.99 0.77 0.02 0.00 0.00 175.30 178.54 1c3d h SER 193 N 6.21 0.24 0.49 0.23 0.02 -1.95 -1.30 113.55 117.49 1c3d h SER 193 Ca -0.42 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1c3d h SER 193 Cb 1.21 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1c3d h SER 193 CO 0.73 0.30 -0.26 0.22 -1.14 0.00 0.00 176.83 176.69 1c3d h TYR 194 N 0.26 -0.68 -0.84 3.45 3.20 -1.88 -0.05 116.97 120.43 1c3d h TYR 194 Ca 0.06 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1c3d h TYR 194 Cb 0.21 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1c3d h TYR 194 CO 0.00 -0.41 0.39 1.15 -1.64 0.00 0.00 178.16 177.66 1c3d h THR 195 N -0.69 1.26 -0.68 1.81 2.02 -1.91 -0.09 112.91 114.63 1c3d h THR 195 Ca -0.06 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1c3d h THR 195 Cb 0.55 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1c3d h THR 195 CO 0.09 0.32 0.44 0.58 0.37 0.00 0.00 175.52 177.32 1c3d h VAL 196 N 1.21 1.13 0.08 3.16 2.07 -1.06 0.04 116.25 122.88 1c3d h VAL 196 Ca 0.29 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1c3d h VAL 196 Cb 0.13 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1c3d h VAL 196 CO -0.03 0.16 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 1c3d h ALA 197 N 1.27 -0.11 -0.29 1.67 0.00 -0.44 0.17 119.26 121.53 1c3d h ALA 197 Ca 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1c3d h ALA 197 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1c3d h ALA 197 CO -0.08 -0.35 0.03 0.97 0.00 0.00 0.00 179.25 179.82 1c3d h ILE 198 N -0.54 1.24 0.00 0.00 2.10 -0.96 -1.28 117.51 118.06 1c3d h ILE 198 Ca -0.01 -0.83 -0.11 0.00 1.08 0.00 0.00 64.86 64.98 1c3d h ILE 198 Cb 0.46 1.22 -0.02 0.00 -1.09 0.00 0.00 36.82 37.39 1c3d h ILE 198 CO 0.02 0.27 -0.54 0.00 -1.08 0.00 0.00 178.15 176.82 1c3d h ALA 199 N 0.86 1.10 -0.72 0.18 0.00 -1.07 -1.97 119.26 117.64 1c3d h ALA 199 Ca 0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1c3d h ALA 199 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1c3d h ALA 199 CO 0.01 0.67 0.23 0.78 0.00 0.00 0.00 179.25 180.94 1c3d h GLY 200 N 1.65 1.19 0.76 0.00 0.00 -0.43 -1.04 103.07 105.19 1c3d h GLY 200 Ca -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1c3d h GLY 200 CO 0.07 0.65 -0.00 -1.82 0.00 0.00 0.00 176.54 175.44 1c3d h TYR 201 N 1.05 0.21 -0.26 5.60 3.20 -0.87 -0.09 116.97 125.81 1c3d h TYR 201 Ca 0.23 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1c3d h TYR 201 Cb 0.29 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1c3d h TYR 201 CO 0.02 0.45 -0.02 0.00 -1.64 0.00 0.00 178.16 176.97 1c3d h ALA 202 N 0.74 0.22 -0.43 1.82 0.00 -1.25 -1.08 119.26 119.27 1c3d h ALA 202 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1c3d h ALA 202 Cb 0.36 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1c3d h ALA 202 CO 0.01 -0.43 0.23 -0.07 0.00 0.00 0.00 179.25 178.98 1c3d h LEU 203 N 0.06 0.55 -1.80 0.00 3.38 -1.13 -2.53 115.31 113.83 1c3d h LEU 203 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1c3d h LEU 203 Cb 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1c3d h LEU 203 CO -0.23 0.49 -0.11 0.00 0.09 0.00 0.00 178.44 178.68 1c3d h ALA 204 N 1.08 1.80 -0.06 1.53 0.00 -0.65 -0.53 119.26 122.43 1c3d h ALA 204 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1c3d h ALA 204 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1c3d h ALA 204 CO -0.02 0.13 -0.01 1.96 0.00 0.00 0.00 179.25 181.31 1c3d h GLN 205 N 0.00 0.08 -0.14 0.00 4.20 -0.75 -0.78 115.11 117.71 1c3d h GLN 205 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1c3d h GLN 205 Cb 0.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1c3d h GLN 205 CO 0.01 0.10 0.00 -1.33 -0.67 0.00 0.00 178.83 176.94 1c3d n MET 206 N -4.48 2.28 -1.61 1.46 2.81 -0.36 -4.94 117.12 112.29 1c3d n MET 206 Ca -0.02 -1.89 -0.13 0.00 -1.81 0.00 0.00 57.70 53.85 1c3d n MET 206 Cb 0.13 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 1c3d n MET 206 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c3d n GLY 207 N 1.37 1.00 1.27 3.03 0.00 -0.30 -4.88 105.19 106.67 1c3d n GLY 207 Ca 0.16 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1c3d n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3d n ARG 208 N -2.53 3.60 -3.48 1.61 1.74 -0.35 -4.78 116.66 112.48 1c3d n ARG 208 Ca -0.14 -2.84 -0.43 0.00 -0.77 0.00 0.00 57.85 53.68 1c3d n ARG 208 Cb 0.48 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 1c3d n ARG 208 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1c3d s LEU 209 N -2.37 6.04 0.28 0.55 2.96 -1.24 -4.84 118.68 120.07 1c3d s LEU 209 Ca 0.45 -2.41 0.04 0.00 -0.22 0.00 0.00 54.13 51.99 1c3d s LEU 209 Cb 0.33 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1c3d s LEU 209 CO 0.15 -0.59 0.21 -0.54 -1.32 0.00 0.00 176.35 174.25 1c3d s LYS 210 N 0.61 1.52 1.46 1.98 1.02 -1.26 -4.60 119.74 120.48 1c3d s LYS 210 Ca 0.12 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.26 1c3d s LYS 210 Cb -0.19 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1c3d s LYS 210 CO -0.04 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 1c3d n GLY 211 N -0.48 2.61 0.35 -3.33 0.00 -1.26 -1.69 105.19 101.39 1c3d n GLY 211 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1c3d n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c3d h PRO 212 N 0.00 1.06 -0.45 1.61 0.13 -1.99 -0.44 132.00 131.93 1c3d h PRO 212 Ca 0.00 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1c3d h PRO 212 Cb 0.00 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 30.89 1c3d h PRO 212 CO 0.00 0.74 0.13 -0.07 -0.23 0.00 0.00 178.00 178.57 1c3d h LEU 213 N 1.08 0.66 -0.73 1.56 4.07 -1.73 0.35 115.31 120.57 1c3d h LEU 213 Ca 0.28 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1c3d h LEU 213 Cb -0.05 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 1c3d h LEU 213 CO -0.05 0.70 0.32 0.25 -1.08 0.00 0.00 178.44 178.57 1c3d h LEU 214 N 0.58 0.99 -0.89 1.67 5.85 -1.02 -0.49 115.31 122.00 1c3d h LEU 214 Ca 0.14 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1c3d h LEU 214 Cb 0.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1c3d h LEU 214 CO -0.00 0.87 0.30 -1.13 -0.34 0.00 0.00 178.44 178.14 1c3d h ASN 215 N 1.04 1.02 -0.50 1.25 -1.24 -0.54 -0.81 115.58 115.81 1c3d h ASN 215 Ca 0.25 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 57.03 1c3d h ASN 215 Cb 0.17 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1c3d h ASN 215 CO -0.03 0.90 0.02 0.50 -1.29 0.00 0.00 177.43 177.54 1c3d h LYS 216 N 1.09 0.87 0.10 6.67 3.64 -0.35 -1.33 116.57 127.25 1c3d h LYS 216 Ca 0.25 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1c3d h LYS 216 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1c3d h LYS 216 CO -0.02 0.89 -0.18 0.35 -2.27 0.00 0.00 179.45 178.22 1c3d h PHE 217 N 0.73 -0.46 -0.20 1.91 3.57 -0.56 -1.74 116.94 120.19 1c3d h PHE 217 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1c3d h PHE 217 Cb 0.49 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1c3d h PHE 217 CO 0.04 -0.26 0.05 -0.07 -2.23 0.00 0.00 178.31 175.84 1c3d h LEU 218 N -0.34 0.30 -1.56 0.59 3.38 -1.08 -3.04 115.31 113.56 1c3d h LEU 218 Ca 0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1c3d h LEU 218 Cb 0.36 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1c3d h LEU 218 CO -0.10 0.44 -0.00 0.71 0.09 0.00 0.00 178.44 179.58 1c3d h THR 219 N 0.14 0.01 0.00 0.22 1.35 -1.18 -2.54 112.91 110.91 1c3d h THR 219 Ca 0.06 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1c3d h THR 219 Cb 0.26 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1c3d h THR 219 CO -0.00 0.00 -0.10 0.74 -0.25 0.00 0.00 175.52 175.91 1c3d h THR 220 N 0.00 0.49 -2.63 6.82 2.02 -1.19 -3.42 112.91 115.00 1c3d h THR 220 Ca -0.00 -0.51 -0.55 0.00 0.77 0.00 0.00 66.41 66.12 1c3d h THR 220 Cb 0.48 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1c3d h THR 220 CO 0.00 0.10 1.11 0.00 0.37 0.00 0.00 175.52 177.10 1c3d s ALA 221 N -4.15 3.49 0.05 6.16 0.00 -0.96 -4.77 121.76 121.59 1c3d s ALA 221 Ca -0.03 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1c3d s ALA 221 Cb 0.13 -3.78 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1c3d s ALA 221 CO 0.57 -1.59 1.52 0.21 0.00 0.00 0.00 175.76 176.47 1c3d s LYS 222 N 4.29 4.25 -1.57 0.00 2.20 0.35 -2.58 119.74 126.68 1c3d s LYS 222 Ca 0.74 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1c3d s LYS 222 Cb -0.31 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1c3d s LYS 222 CO 0.29 -0.63 0.00 -0.25 -0.36 0.00 0.00 175.35 174.41 1c3d n ASP 223 N 5.21 -4.54 -0.76 1.43 8.00 -1.26 -1.36 116.55 123.27 1c3d n ASP 223 Ca 0.14 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.80 1c3d n ASP 223 Cb 0.42 -3.97 -0.04 0.00 -0.02 0.00 0.00 41.12 37.50 1c3d n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1c3d n LYS 224 N -2.46 -1.70 0.00 -1.24 5.02 -1.06 -4.81 118.16 111.90 1c3d n LYS 224 Ca -0.18 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1c3d n LYS 224 Cb 0.59 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1c3d n LYS 224 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1c3d n ASN 225 N -1.14 0.23 -3.46 4.39 2.04 -0.46 -4.39 115.26 112.46 1c3d n ASN 225 Ca -0.10 -0.56 -0.13 0.00 -0.44 0.00 0.00 54.58 53.35 1c3d n ASN 225 Cb 0.58 0.41 -0.03 0.00 -2.53 0.00 0.00 39.78 38.20 1c3d n ASN 225 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1c3d s ARG 226 N -0.41 1.13 -0.27 -3.83 1.70 -1.15 -4.11 118.95 112.01 1c3d s ARG 226 Ca 0.00 -0.24 -0.03 0.00 -0.47 0.00 0.00 55.73 54.99 1c3d s ARG 226 Cb 0.00 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 1c3d s ARG 226 CO 0.00 -0.46 -0.02 -1.58 -1.08 0.00 0.00 175.30 172.16 1c3d s TRP 227 N -2.93 3.13 0.05 5.89 0.51 -1.26 -0.49 118.94 123.84 1c3d s TRP 227 Ca -0.01 -1.53 0.00 0.00 -2.12 0.00 0.00 56.10 52.45 1c3d s TRP 227 Cb -0.01 -2.11 -0.03 0.00 -0.81 0.00 0.00 33.47 30.51 1c3d s TRP 227 CO -0.06 -0.72 -0.05 -1.83 -0.51 0.00 0.00 176.95 173.78 1c3d s GLU 228 N 1.34 0.57 0.17 4.98 -1.05 -1.26 -4.01 118.70 119.44 1c3d s GLU 228 Ca -0.01 -1.01 0.07 0.00 -0.15 0.00 0.00 54.97 53.87 1c3d s GLU 228 Cb -0.18 -0.00 -0.04 0.00 -0.44 0.00 0.00 34.13 33.47 1c3d s GLU 228 CO -0.02 -0.04 -0.15 -0.51 0.95 0.00 0.00 175.26 175.48 1c3d s ASP 229 N -2.35 2.41 -1.17 0.83 1.01 -1.26 -4.53 116.67 111.60 1c3d s ASP 229 Ca -0.01 -0.92 -0.22 0.00 0.71 0.00 0.00 52.55 52.12 1c3d s ASP 229 Cb -0.00 -0.12 -0.07 0.00 1.01 0.00 0.00 42.92 43.74 1c3d s ASP 229 CO -0.05 -0.13 1.91 -0.81 0.21 0.00 0.00 175.17 176.30 1c3d n PRO 230 N 0.07 1.83 0.00 8.23 -0.04 -1.26 -4.70 135.00 139.13 1c3d n PRO 230 Ca -0.12 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1c3d n PRO 230 Cb 0.58 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 1c3d n PRO 230 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c3d n GLY 231 N 5.61 2.71 3.70 0.55 0.00 -1.26 -5.13 105.19 111.38 1c3d n GLY 231 Ca 0.46 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1c3d n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3d s LYS 232 N 4.25 4.24 0.48 1.61 1.02 -1.26 -4.89 119.74 125.19 1c3d s LYS 232 Ca 0.00 2.23 0.16 0.00 0.02 0.00 0.00 55.97 58.38 1c3d s LYS 232 Cb 0.00 -3.37 1.16 0.00 -0.52 0.00 0.00 37.83 35.10 1c3d s LYS 232 CO 0.00 -0.60 2.05 1.96 -0.92 0.00 0.00 175.35 177.84 1c3d h GLN 233 N 7.40 0.21 -0.96 1.68 4.20 -2.00 -1.79 115.11 123.85 1c3d h GLN 233 Ca -0.42 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.30 1c3d h GLN 233 Cb 1.20 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 1c3d h GLN 233 CO 0.91 0.14 0.64 -0.07 -0.67 0.00 0.00 178.83 179.77 1c3d h LEU 234 N 0.22 1.08 -1.07 1.46 3.38 -1.99 -0.76 115.31 117.63 1c3d h LEU 234 Ca 0.17 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1c3d h LEU 234 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1c3d h LEU 234 CO -0.03 0.77 -0.00 1.88 0.09 0.00 0.00 178.44 181.15 1c3d h TYR 235 N 1.27 0.69 -0.26 1.13 0.05 -1.71 -1.86 116.97 116.28 1c3d h TYR 235 Ca 0.36 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.92 1c3d h TYR 235 Cb -0.09 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1c3d h TYR 235 CO -0.00 0.66 -0.41 -0.91 -1.05 0.00 0.00 178.16 176.45 1c3d h ASN 236 N 0.62 0.67 -0.41 3.88 2.35 -1.17 0.10 115.58 121.63 1c3d h ASN 236 Ca 0.13 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1c3d h ASN 236 Cb 0.40 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1c3d h ASN 236 CO 0.01 1.00 -0.01 0.58 -1.65 0.00 0.00 177.43 177.37 1c3d h VAL 237 N 0.52 1.26 -0.27 2.81 2.07 -0.91 -0.38 116.25 121.35 1c3d h VAL 237 Ca 0.04 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1c3d h VAL 237 Cb 0.93 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1c3d h VAL 237 CO 0.08 0.35 0.09 -0.08 0.02 0.00 0.00 177.57 178.03 1c3d h GLU 238 N 0.56 0.42 -0.26 1.57 4.81 -1.15 -1.40 114.58 119.12 1c3d h GLU 238 Ca 0.12 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1c3d h GLU 238 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1c3d h GLU 238 CO 0.02 0.48 0.14 0.00 -0.73 0.00 0.00 179.01 178.91 1c3d h ALA 239 N 0.92 0.32 -0.06 2.92 0.00 -0.68 -1.31 119.26 121.38 1c3d h ALA 239 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1c3d h ALA 239 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1c3d h ALA 239 CO -0.00 -0.26 -0.11 1.15 0.00 0.00 0.00 179.25 180.03 1c3d h THR 240 N 0.28 1.12 -0.32 0.00 2.02 -0.95 0.16 112.91 115.22 1c3d h THR 240 Ca 0.11 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 1c3d h THR 240 Cb 0.02 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1c3d h THR 240 CO -0.07 0.16 -0.33 0.28 0.37 0.00 0.00 175.52 175.92 1c3d h SER 241 N 0.08 0.85 -0.73 4.18 0.02 -0.49 -0.70 113.55 116.76 1c3d h SER 241 Ca 0.02 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1c3d h SER 241 Cb 0.26 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1c3d h SER 241 CO 0.02 1.15 0.29 1.88 -1.14 0.00 0.00 176.83 179.02 1c3d h TYR 242 N 0.56 1.12 -0.73 3.45 0.05 -0.47 -1.96 116.97 119.00 1c3d h TYR 242 Ca 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1c3d h TYR 242 Cb 0.92 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1c3d h TYR 242 CO 0.07 0.86 0.43 0.00 -1.05 0.00 0.00 178.16 178.47 1c3d h ALA 243 N 1.14 0.93 -0.47 3.88 0.00 -0.77 -1.11 119.26 122.86 1c3d h ALA 243 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1c3d h ALA 243 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1c3d h ALA 243 CO -0.02 0.41 0.29 1.25 0.00 0.00 0.00 179.25 181.18 1c3d h LEU 244 N 0.99 0.56 -1.22 0.00 5.85 -0.72 -0.44 115.31 120.33 1c3d h LEU 244 Ca 0.26 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1c3d h LEU 244 Cb -0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1c3d h LEU 244 CO -0.05 0.44 0.54 -0.07 -0.34 0.00 0.00 178.44 178.96 1c3d h LEU 245 N 0.62 0.88 -0.33 2.25 3.38 -0.92 -1.26 115.31 119.93 1c3d h LEU 245 Ca 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1c3d h LEU 245 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1c3d h LEU 245 CO -0.03 0.61 0.06 0.00 0.09 0.00 0.00 178.44 179.17 1c3d h ALA 246 N 1.52 0.43 -1.01 1.53 0.00 -0.55 -1.10 119.26 120.09 1c3d h ALA 246 Ca 0.32 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1c3d h ALA 246 Cb 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1c3d h ALA 246 CO -0.09 0.12 0.66 -0.07 0.00 0.00 0.00 179.25 179.87 1c3d h LEU 247 N 0.37 1.13 -0.57 0.00 3.38 -0.50 0.88 115.31 119.99 1c3d h LEU 247 Ca 0.10 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1c3d h LEU 247 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1c3d h LEU 247 CO 0.00 0.79 -0.41 -0.07 0.09 0.00 0.00 178.44 178.85 1c3d h LEU 248 N 1.32 0.73 -0.92 1.67 3.38 -1.05 0.11 115.31 120.55 1c3d h LEU 248 Ca 0.39 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1c3d h LEU 248 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1c3d h LEU 248 CO -0.11 1.04 0.09 -0.61 0.09 0.00 0.00 178.44 178.94 1c3d h GLN 249 N 0.56 0.88 0.00 1.13 5.75 -0.46 -1.22 115.11 121.75 1c3d h GLN 249 Ca 0.04 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1c3d h GLN 249 Cb 0.94 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1c3d h GLN 249 CO 0.09 0.83 0.00 1.28 -2.65 0.00 0.00 178.83 178.37 1c3d n LEU 250 N -4.24 0.45 -3.01 -2.39 4.77 0.24 -4.91 117.00 107.90 1c3d n LEU 250 Ca 0.04 0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 56.34 1c3d n LEU 250 Cb 0.26 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1c3d n LEU 250 CO 0.41 -0.14 -0.02 0.29 -1.33 0.00 0.00 177.39 176.60 1c3d n LYS 251 N -1.92 -4.52 -2.26 3.23 5.02 0.18 -4.87 118.16 113.01 1c3d n LYS 251 Ca 0.06 0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 56.81 1c3d n LYS 251 Cb 0.37 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.68 1c3d n LYS 251 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1c3d n ASP 252 N -2.46 7.04 0.22 4.39 -0.08 -0.06 -4.78 116.55 120.82 1c3d n ASP 252 Ca -0.11 -3.24 0.15 0.00 -1.51 0.00 0.00 54.79 50.08 1c3d n ASP 252 Cb 0.62 -1.36 0.80 0.00 2.34 0.00 0.00 41.12 43.52 1c3d n ASP 252 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1c3d h PHE 253 N 4.91 0.00 -0.17 -0.67 0.04 -1.89 -2.16 116.94 117.00 1c3d h PHE 253 Ca 0.55 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 61.14 1c3d h PHE 253 Cb 0.42 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1c3d h PHE 253 CO 1.42 0.00 -0.62 -0.44 -0.60 0.00 0.00 178.31 178.07 1c3d h ASP 254 N 0.00 0.69 1.41 2.17 5.19 -1.97 -3.20 116.42 120.71 1c3d h ASP 254 Ca 0.00 -0.40 -0.11 0.00 -0.62 0.00 0.00 57.03 55.90 1c3d h ASP 254 Cb 0.03 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1c3d h ASP 254 CO 0.00 1.14 -0.50 0.15 -3.12 0.00 0.00 179.24 176.91 1c3d h PHE 255 N 0.45 0.00 -0.08 4.55 3.04 -1.81 -3.40 116.94 119.70 1c3d h PHE 255 Ca -0.01 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.97 1c3d h PHE 255 Cb 1.20 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.67 1c3d h PHE 255 CO 0.06 0.50 -0.11 0.28 -2.02 0.00 0.00 178.31 177.02 1c3d h VAL 256 N 0.00 0.70 -0.66 1.41 2.07 -1.53 -3.33 116.25 114.91 1c3d h VAL 256 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1c3d h VAL 256 Cb 1.34 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.70 1c3d h VAL 256 CO 0.07 0.00 0.03 -0.65 0.02 0.00 0.00 177.57 177.03 1c3d h PRO 257 N -0.15 0.13 -0.97 1.57 0.11 -1.77 -0.99 132.00 129.93 1c3d h PRO 257 Ca 0.07 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.21 1c3d h PRO 257 Cb 0.24 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 1c3d h PRO 257 CO -0.17 0.09 0.63 -1.35 -0.21 0.00 0.00 178.00 177.00 1c3d h PRO 258 N 0.14 1.17 -0.21 1.05 0.11 -1.87 0.14 132.00 132.52 1c3d h PRO 258 Ca 0.36 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 1c3d h PRO 258 Cb 0.59 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1c3d h PRO 258 CO -0.56 0.77 0.01 0.28 -0.21 0.00 0.00 178.00 178.30 1c3d h VAL 259 N 1.20 1.25 -0.37 3.15 2.07 -1.36 -1.14 116.25 121.05 1c3d h VAL 259 Ca 0.39 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1c3d h VAL 259 Cb 0.04 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1c3d h VAL 259 CO -0.13 0.26 -0.16 0.58 0.02 0.00 0.00 177.57 178.15 1c3d h VAL 260 N 0.14 1.26 -0.13 2.57 2.07 -0.99 -0.80 116.25 120.36 1c3d h VAL 260 Ca 0.06 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1c3d h VAL 260 Cb 0.38 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1c3d h VAL 260 CO 0.01 0.39 0.07 -0.09 0.02 0.00 0.00 177.57 177.98 1c3d h ARG 261 N 0.60 0.18 -0.30 1.57 2.43 -0.79 0.14 114.38 118.21 1c3d h ARG 261 Ca 0.10 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1c3d h ARG 261 Cb 0.61 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1c3d h ARG 261 CO 0.04 0.20 0.16 2.35 -1.51 0.00 0.00 179.97 181.22 1c3d h TRP 262 N 0.11 0.30 -0.76 2.20 7.01 -0.89 -0.06 115.95 123.87 1c3d h TRP 262 Ca 0.05 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1c3d h TRP 262 Cb 0.07 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 1c3d h TRP 262 CO -0.04 0.18 0.47 -0.07 -2.79 0.00 0.00 178.44 176.19 1c3d h LEU 263 N 0.34 0.76 -0.00 0.65 3.38 -0.82 -2.14 115.31 117.47 1c3d h LEU 263 Ca 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1c3d h LEU 263 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1c3d h LEU 263 CO -0.06 0.51 0.00 0.78 0.09 0.00 0.00 178.44 179.75 1c3d h ASN 264 N 0.90 0.00 0.16 -0.43 2.35 -0.18 -2.80 115.58 115.58 1c3d h ASN 264 Ca 0.32 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1c3d h ASN 264 Cb 0.09 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1c3d h ASN 264 CO -0.14 0.10 0.00 -0.33 -1.65 0.00 0.00 177.43 175.41 1c3d h GLU 265 N -0.09 0.00 0.00 0.81 5.08 -0.61 0.17 114.58 119.94 1c3d h GLU 265 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1c3d h GLU 265 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1c3d h GLU 265 CO -0.00 0.00 -0.22 1.96 -1.00 0.00 0.00 179.01 179.75 1c3d h GLN 266 N 0.00 0.00 -6.31 2.33 1.08 -1.11 -3.46 115.11 107.63 1c3d h GLN 266 Ca 0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 1c3d h GLN 266 Cb 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1c3d h GLN 266 CO 0.00 0.22 -0.80 0.54 -0.95 0.00 0.00 178.83 177.83 1c3d n ARG 267 N -3.72 -4.85 -3.44 1.46 1.74 0.58 -4.95 116.66 103.48 1c3d n ARG 267 Ca -0.01 0.56 -0.38 0.00 -0.77 0.00 0.00 57.85 57.25 1c3d n ARG 267 Cb 0.33 -5.25 -0.07 0.00 -1.02 0.00 0.00 32.46 26.44 1c3d n ARG 267 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1c3d s TYR 268 N -3.48 3.39 -0.18 -1.55 5.04 -1.26 -4.95 117.35 114.36 1c3d s TYR 268 Ca 0.41 0.59 0.15 0.00 -2.44 0.00 0.00 57.07 55.79 1c3d s TYR 268 Cb -0.21 -2.47 0.31 0.00 0.35 0.00 0.00 41.96 39.95 1c3d s TYR 268 CO 0.84 0.06 1.21 0.66 -1.34 0.00 0.00 175.55 176.98 1c3d n TYR 269 N 4.22 0.28 -0.66 4.97 4.01 -1.26 -5.08 117.16 123.63 1c3d n TYR 269 Ca -0.10 -0.86 0.09 0.00 -0.16 0.00 0.00 57.90 56.87 1c3d n TYR 269 Cb 0.51 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1c3d n TYR 269 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c3d n GLY 270 N -0.92 -1.89 0.00 2.72 0.00 -1.26 -4.88 105.19 98.97 1c3d n GLY 270 Ca 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1c3d n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3d n GLY 271 N -2.88 -0.92 0.00 -0.02 0.00 -1.26 -4.96 105.19 95.15 1c3d n GLY 271 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1c3d n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3d n GLY 272 N -0.50 1.61 3.72 -0.02 0.00 -1.26 -4.75 105.19 103.98 1c3d n GLY 272 Ca 0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1c3d n GLY 272 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c3d s TYR 273 N -1.79 3.08 -1.46 1.61 5.04 -1.26 -2.52 117.35 120.05 1c3d s TYR 273 Ca 0.00 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 1c3d s TYR 273 Cb 0.00 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1c3d s TYR 273 CO 0.00 -3.32 0.00 0.41 -1.34 0.00 0.00 175.55 171.30 1c3d n GLY 274 N 3.71 1.05 0.39 8.97 0.00 -1.26 -4.91 105.19 113.14 1c3d n GLY 274 Ca 0.14 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1c3d n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c3d n SER 275 N -0.45 1.43 -0.14 1.61 3.41 -1.05 -4.63 113.62 113.81 1c3d n SER 275 Ca -0.15 -1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1c3d n SER 275 Cb 0.52 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 1c3d n SER 275 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1c3d h THR 276 N 1.93 0.00 -0.40 6.66 2.02 -1.83 0.44 112.91 121.73 1c3d h THR 276 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1c3d h THR 276 Cb 0.58 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1c3d h THR 276 CO 0.00 0.00 0.03 1.56 0.37 0.00 0.00 175.52 177.48 1c3d h GLN 277 N -0.39 0.68 -0.72 6.66 1.08 -1.82 -1.32 115.11 119.28 1c3d h GLN 277 Ca 0.07 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1c3d h GLN 277 Cb 0.59 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1c3d h GLN 277 CO -0.60 0.76 0.30 0.00 -0.95 0.00 0.00 178.83 178.34 1c3d h ALA 278 N 0.90 1.17 0.12 3.87 0.00 -1.80 0.29 119.26 123.80 1c3d h ALA 278 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1c3d h ALA 278 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c3d h ALA 278 CO 0.02 0.61 -0.06 1.15 0.00 0.00 0.00 179.25 180.97 1c3d h THR 279 N 1.04 1.05 0.05 0.00 2.02 -0.75 0.32 112.91 116.64 1c3d h THR 279 Ca 0.24 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1c3d h THR 279 Cb 0.18 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1c3d h THR 279 CO -0.02 0.17 -0.02 0.15 0.37 0.00 0.00 175.52 176.17 1c3d h PHE 280 N -0.50 -0.06 -0.43 3.16 3.04 -1.16 -2.86 116.94 118.12 1c3d h PHE 280 Ca -0.02 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1c3d h PHE 280 Cb 0.40 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1c3d h PHE 280 CO 0.04 0.01 0.12 0.52 -2.02 0.00 0.00 178.31 176.97 1c3d h MET 281 N -0.11 0.68 -0.67 1.11 2.86 -0.95 -0.07 114.93 117.77 1c3d h MET 281 Ca -0.01 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1c3d h MET 281 Cb 0.09 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1c3d h MET 281 CO 0.01 0.68 0.17 -0.24 1.06 0.00 0.00 176.91 178.59 1c3d h VAL 282 N 0.56 1.26 0.00 -2.22 3.04 -0.95 -0.05 116.25 117.88 1c3d h VAL 282 Ca 0.14 -0.94 -0.10 0.00 -1.01 0.00 0.00 66.70 64.79 1c3d h VAL 282 Cb 0.29 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1c3d h VAL 282 CO -0.00 0.36 -0.47 -0.26 -1.01 0.00 0.00 177.57 176.19 1c3d h PHE 283 N 1.00 0.00 -0.12 3.17 0.04 -1.43 -1.14 116.94 118.47 1c3d h PHE 283 Ca 0.21 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.87 1c3d h PHE 283 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1c3d h PHE 283 CO 0.03 0.47 -0.36 0.37 -0.60 0.00 0.00 178.31 178.22 1c3d h GLN 284 N 0.00 0.45 -0.17 1.51 4.15 -0.77 -1.91 115.11 118.36 1c3d h GLN 284 Ca -0.00 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1c3d h GLN 284 Cb 1.26 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1c3d h GLN 284 CO 0.06 0.95 0.08 0.00 -1.93 0.00 0.00 178.83 177.99 1c3d h ALA 285 N 0.50 0.22 -0.27 3.38 0.00 -0.93 -1.06 119.26 121.10 1c3d h ALA 285 Ca -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1c3d h ALA 285 Cb 0.98 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1c3d h ALA 285 CO 0.08 -0.22 -0.26 -0.07 0.00 0.00 0.00 179.25 178.78 1c3d h LEU 286 N 0.14 0.54 -0.70 0.00 3.38 -1.27 -0.63 115.31 116.77 1c3d h LEU 286 Ca 0.06 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1c3d h LEU 286 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1c3d h LEU 286 CO -0.01 0.79 -0.15 0.00 0.09 0.00 0.00 178.44 179.16 1c3d h ALA 287 N 1.25 0.89 -0.18 1.53 0.00 -1.22 -1.66 119.26 119.87 1c3d h ALA 287 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1c3d h ALA 287 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1c3d h ALA 287 CO 0.05 0.63 -0.29 0.37 0.00 0.00 0.00 179.25 180.01 1c3d h GLN 288 N 0.75 0.35 -0.25 0.00 5.75 -0.72 -1.64 115.11 119.34 1c3d h GLN 288 Ca 0.12 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1c3d h GLN 288 Cb 0.67 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1c3d h GLN 288 CO 0.05 0.61 0.06 -0.92 -2.65 0.00 0.00 178.83 175.98 1c3d h TYR 289 N 0.30 0.42 -0.77 3.99 3.20 -0.73 -0.12 116.97 123.27 1c3d h TYR 289 Ca 0.04 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1c3d h TYR 289 Cb 0.68 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1c3d h TYR 289 CO 0.02 0.49 0.49 1.96 -1.64 0.00 0.00 178.16 179.47 1c3d h GLN 290 N 0.23 0.93 -0.29 1.82 1.08 -0.97 0.04 115.11 117.96 1c3d h GLN 290 Ca 0.08 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1c3d h GLN 290 Cb 0.27 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1c3d h GLN 290 CO 0.00 0.61 -0.20 0.87 -0.95 0.00 0.00 178.83 179.16 1c3d h LYS 291 N 0.95 0.65 0.00 1.46 1.57 -1.06 -3.40 116.57 116.74 1c3d h LYS 291 Ca 0.31 -0.31 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1c3d h LYS 291 Cb 0.02 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1c3d h LYS 291 CO -0.11 0.91 -2.27 -0.25 -0.57 0.00 0.00 179.45 177.15 1c3d n ASP 292 N -4.35 0.51 -4.66 0.86 8.00 -0.08 -4.97 116.55 111.86 1c3d n ASP 292 Ca -0.03 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 1c3d n ASP 292 Cb 0.41 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.39 1c3d n ASP 292 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c3d s ALA 293 N -2.45 3.65 -2.00 2.24 0.00 -0.01 -5.07 121.76 118.12 1c3d s ALA 293 Ca -0.10 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1c3d s ALA 293 Cb 0.06 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1c3d s ALA 293 CO 0.75 -1.21 0.60 -2.30 0.00 0.00 0.00 175.76 173.60