#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8d s SER 3 N 0.00 -0.38 0.18 1.61 1.04 -1.26 -5.02 113.70 109.87 2i8d s SER 3 Ca 0.00 -0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.06 2i8d s SER 3 Cb 0.00 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.79 2i8d s SER 3 CO 0.00 -1.02 1.75 0.25 0.98 0.00 0.00 173.24 175.21 2i8d h LEU 4 N 2.00 0.82 -0.46 2.42 5.85 -1.98 -0.27 115.31 123.69 2i8d h LEU 4 Ca -0.26 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.39 2i8d h LEU 4 Cb 1.27 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2i8d h LEU 4 CO 0.30 0.73 0.11 0.00 -0.34 0.00 0.00 178.44 179.25 2i8d h ALA 5 N 1.12 0.52 -0.61 1.25 0.00 -2.00 -1.06 119.26 118.47 2i8d h ALA 5 Ca 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2i8d h ALA 5 Cb 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2i8d h ALA 5 CO -0.02 -0.29 0.21 1.49 0.00 0.00 0.00 179.25 180.64 2i8d h GLU 6 N 0.25 0.93 -0.75 0.00 4.81 -1.80 -2.77 114.58 115.25 2i8d h GLU 6 Ca 0.22 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2i8d h GLU 6 Cb 0.27 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2i8d h GLU 6 CO -0.27 0.81 0.46 2.35 -0.73 0.00 0.00 179.01 181.63 2i8d h TRP 7 N 0.86 0.85 0.00 0.92 7.01 -0.46 -1.63 115.95 123.50 2i8d h TRP 7 Ca 0.20 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.20 2i8d h TRP 7 Cb 0.26 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 2i8d h TRP 7 CO 0.02 0.46 -0.12 1.88 -2.79 0.00 0.00 178.44 177.88 2i8d h TYR 8 N 0.87 0.00 0.00 2.65 0.05 -0.94 -0.73 116.97 118.86 2i8d h TYR 8 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2i8d h TYR 8 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2i8d h TYR 8 CO -0.05 0.12 0.00 1.96 -1.05 0.00 0.00 178.16 179.15 2i8d h GLN 9 N 0.00 0.00 0.00 4.88 1.08 -1.08 -2.51 115.11 117.48 2i8d h GLN 9 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i8d h GLN 9 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2i8d h GLN 9 CO 0.02 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.90 2i8d h ARG 10 N 0.00 0.00 -6.43 1.46 3.08 -1.07 -3.45 114.38 107.97 2i8d h ARG 10 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2i8d h ARG 10 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2i8d h ARG 10 CO 0.00 0.00 0.74 0.42 -1.07 0.00 0.00 179.97 180.06 2i8d s ILE 11 N -3.25 3.73 0.25 2.04 1.01 -0.95 -4.85 121.20 119.18 2i8d s ILE 11 Ca 0.07 1.17 0.17 0.00 0.00 0.00 0.00 60.65 62.06 2i8d s ILE 11 Cb 0.10 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.93 2i8d s ILE 11 CO 0.52 0.04 1.76 1.55 0.00 0.00 0.00 174.94 178.80 2i8d h PRO 12 N 7.36 0.00 -4.64 2.79 0.13 -1.87 -3.46 132.00 132.32 2i8d h PRO 12 Ca -0.39 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.50 2i8d h PRO 12 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2i8d h PRO 12 CO 0.87 0.40 -0.70 0.95 -0.23 0.00 0.00 178.00 179.29 2i8d s THR 13 N -3.77 0.66 0.27 1.56 -4.23 -1.26 -5.04 115.64 103.83 2i8d s THR 13 Ca -0.01 -1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2i8d s THR 13 Cb 0.12 -1.46 0.25 0.00 1.34 0.00 0.00 72.50 72.75 2i8d s THR 13 CO 0.70 -0.77 1.78 -0.65 -0.54 0.00 0.00 174.62 175.14 2i8d h PRO 14 N 3.28 0.70 -0.31 3.99 0.11 -2.00 -0.66 132.00 137.13 2i8d h PRO 14 Ca -0.35 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 2i8d h PRO 14 Cb 1.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2i8d h PRO 14 CO 0.60 0.46 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.21 2i8d h ASP 15 N 0.72 0.57 -0.42 -2.05 5.19 -1.99 -1.37 116.42 117.07 2i8d h ASP 15 Ca 0.47 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 2i8d h ASP 15 Cb 0.61 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 2i8d h ASP 15 CO -0.33 0.78 0.03 0.44 -3.12 0.00 0.00 179.24 177.04 2i8d h ASP 16 N 0.51 0.71 -0.48 6.45 3.32 -1.81 -1.73 116.42 123.39 2i8d h ASP 16 Ca 0.08 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.90 2i8d h ASP 16 Cb 0.64 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 2i8d h ASP 16 CO 0.05 0.82 0.19 0.25 -1.72 0.00 0.00 179.24 178.82 2i8d h LEU 17 N 0.57 0.22 -0.65 1.55 5.85 -0.78 -1.78 115.31 120.30 2i8d h LEU 17 Ca 0.12 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2i8d h LEU 17 Cb 0.44 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2i8d h LEU 17 CO 0.02 0.16 0.41 0.74 -0.34 0.00 0.00 178.44 179.42 2i8d h THR 18 N 0.38 1.10 -0.25 1.05 2.02 -1.08 0.52 112.91 116.65 2i8d h THR 18 Ca 0.22 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2i8d h THR 18 Cb 0.21 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 2i8d h THR 18 CO -0.21 0.15 -0.06 -0.09 0.37 0.00 0.00 175.52 175.67 2i8d h ARG 19 N 0.81 -0.00 -0.35 6.66 2.43 -1.05 0.49 114.38 123.35 2i8d h ARG 19 Ca 0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2i8d h ARG 19 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2i8d h ARG 19 CO -0.09 -0.00 -0.01 0.28 -1.51 0.00 0.00 179.97 178.63 2i8d h VAL 20 N -0.01 1.26 -0.40 0.20 2.07 -0.71 -0.89 116.25 117.77 2i8d h VAL 20 Ca 0.12 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2i8d h VAL 20 Cb 0.19 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2i8d h VAL 20 CO -0.26 0.33 0.22 -0.33 0.02 0.00 0.00 177.57 177.56 2i8d h GLU 21 N 0.44 0.44 -0.60 1.57 5.08 -0.70 -0.94 114.58 119.86 2i8d h GLU 21 Ca 0.10 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2i8d h GLU 21 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2i8d h GLU 21 CO 0.02 0.29 0.21 0.77 -1.00 0.00 0.00 179.01 179.30 2i8d h SER 22 N 0.45 0.86 -0.09 1.42 0.02 -0.80 -1.80 113.55 113.61 2i8d h SER 22 Ca 0.16 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2i8d h SER 22 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2i8d h SER 22 CO -0.09 0.82 0.05 0.25 -1.14 0.00 0.00 176.83 176.72 2i8d h LEU 23 N 0.85 0.09 -0.45 5.07 5.85 -0.78 0.25 115.31 126.17 2i8d h LEU 23 Ca 0.20 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2i8d h LEU 23 Cb 0.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2i8d h LEU 23 CO -0.01 0.06 0.29 -0.26 -0.34 0.00 0.00 178.44 178.18 2i8d h PHE 24 N 0.11 0.54 -0.44 1.25 0.04 -1.07 -2.87 116.94 114.50 2i8d h PHE 24 Ca 0.03 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 2i8d h PHE 24 Cb -0.01 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2i8d h PHE 24 CO -0.08 0.32 0.26 0.00 -0.60 0.00 0.00 178.31 178.22 2i8d h ALA 25 N 1.18 0.56 0.00 2.45 0.00 -1.10 -0.74 119.26 121.62 2i8d h ALA 25 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i8d h ALA 25 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2i8d h ALA 25 CO -0.06 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.33 2i8d n ASN 26 N -4.74 0.36 0.00 0.00 3.02 0.05 -1.26 115.26 112.70 2i8d n ASN 26 Ca 0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2i8d n ASN 26 Cb 0.05 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2i8d n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i8d n GLN 28 N 0.48 0.00 -0.21 3.52 6.02 -0.28 -1.35 117.38 125.55 2i8d n GLN 28 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2i8d n GLN 28 Cb 0.08 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.45 2i8d n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i8d h ALA 29 N 0.00 1.08 0.00 -1.58 0.00 -1.43 -2.88 119.26 114.45 2i8d h ALA 29 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2i8d h ALA 29 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2i8d h ALA 29 CO 0.00 0.62 -0.50 1.96 0.00 0.00 0.00 179.25 181.33 2i8d h GLN 30 N 0.99 0.00 -2.34 0.00 4.20 -1.48 -3.37 115.11 113.10 2i8d h GLN 30 Ca 0.21 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.34 2i8d h GLN 30 Cb 0.31 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.69 2i8d h GLN 30 CO -0.00 0.50 -0.89 1.19 -0.67 0.00 0.00 178.83 178.95 2i8d n PHE 31 N -3.42 0.67 0.29 2.96 3.72 -1.18 -4.99 117.46 115.51 2i8d n PHE 31 Ca 0.00 -3.69 0.18 0.00 -0.05 0.00 0.00 57.45 53.89 2i8d n PHE 31 Cb 0.64 -0.21 0.91 0.00 -0.94 0.00 0.00 39.48 39.87 2i8d n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2i8d h PRO 32 N 4.84 0.00 0.00 -1.08 0.13 -1.69 -2.11 132.00 132.10 2i8d h PRO 32 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2i8d h PRO 32 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2i8d h PRO 32 CO 0.53 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.74 2i8d h GLN 33 N 0.00 0.00 -6.85 0.86 -0.00 -1.94 -3.46 115.11 103.72 2i8d h GLN 33 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 2i8d h GLN 33 Cb 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 27.48 27.63 2i8d h GLN 33 CO 0.00 0.00 0.57 -0.51 -0.00 0.00 0.00 178.83 178.89 2i8d s LEU 34 N -6.06 4.48 -0.11 0.06 1.43 -0.79 -4.70 118.68 112.99 2i8d s LEU 34 Ca 0.03 2.52 -0.05 0.00 -1.03 0.00 0.00 54.13 55.61 2i8d s LEU 34 Cb 0.08 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2i8d s LEU 34 CO 0.58 -0.38 0.07 -0.54 0.23 0.00 0.00 176.35 176.31 2i8d s LYS 35 N -1.66 3.27 -0.53 1.70 1.02 -0.16 -4.94 119.74 118.43 2i8d s LYS 35 Ca 0.47 -0.27 -0.19 0.00 0.02 0.00 0.00 55.97 56.00 2i8d s LYS 35 Cb -0.37 -3.01 0.07 0.00 -0.52 0.00 0.00 37.83 34.00 2i8d s LYS 35 CO 0.48 0.71 0.64 -1.17 -0.92 0.00 0.00 175.35 175.09 2i8d s LEU 36 N -0.86 5.13 0.24 3.17 2.96 -1.26 -0.83 118.68 127.22 2i8d s LEU 36 Ca 0.13 -1.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2i8d s LEU 36 Cb -0.12 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2i8d s LEU 36 CO 0.03 -0.95 0.18 -1.61 -1.32 0.00 0.00 176.35 172.67 2i8d s GLU 37 N 2.61 2.90 -0.29 1.98 2.02 -1.26 -5.02 118.70 121.64 2i8d s GLU 37 Ca 0.13 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.10 2i8d s GLU 37 Cb -0.21 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.51 2i8d s GLU 37 CO 0.10 0.41 -0.04 0.12 0.02 0.00 0.00 175.26 175.88 2i8d s PHE 38 N -2.07 3.33 -0.01 1.61 5.36 -1.26 -4.29 117.98 120.65 2i8d s PHE 38 Ca 0.32 -2.20 0.01 0.00 -0.96 0.00 0.00 56.93 54.10 2i8d s PHE 38 Cb -0.08 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 2i8d s PHE 38 CO 0.24 -0.86 -0.02 0.15 -1.46 0.00 0.00 175.22 173.28 2i8d s LYS 39 N 1.15 0.19 -1.54 10.12 1.02 -0.48 -4.83 119.74 125.37 2i8d s LYS 39 Ca -0.05 -0.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 2i8d s LYS 39 Cb -0.20 -0.22 0.08 0.00 -0.52 0.00 0.00 37.83 36.98 2i8d s LYS 39 CO -0.04 0.02 0.75 0.91 -0.92 0.00 0.00 175.35 176.07 2i8d n TRP 40 N 3.21 -1.91 -2.18 3.18 8.01 -1.26 -2.00 117.44 124.48 2i8d n TRP 40 Ca -0.15 0.82 -0.16 0.00 -1.31 0.00 0.00 57.50 56.71 2i8d n TRP 40 Cb 0.58 -3.60 -0.02 0.00 -2.01 0.00 0.00 31.31 26.26 2i8d n TRP 40 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2i8d n ASN 41 N -2.83 -4.80 -3.75 -0.99 5.15 -1.26 -5.00 115.26 101.78 2i8d n ASN 41 Ca -0.06 0.04 -0.11 0.00 -0.60 0.00 0.00 54.58 53.85 2i8d n ASN 41 Cb 0.57 -3.89 -0.07 0.00 -0.53 0.00 0.00 39.78 35.86 2i8d n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2i8d s GLN 42 N -4.59 0.84 1.12 1.20 -2.07 -0.85 -4.99 119.66 110.32 2i8d s GLN 42 Ca 0.00 -0.56 -0.18 0.00 -1.82 0.00 0.00 55.36 52.80 2i8d s GLN 42 Cb 0.00 0.36 0.26 0.00 -1.09 0.00 0.00 33.01 32.54 2i8d s GLN 42 CO 0.00 -0.28 1.17 -2.14 -1.32 0.00 0.00 175.29 172.72 2i8d s PRO 43 N -2.78 -0.60 -0.09 9.60 0.02 -1.26 -1.38 135.00 138.51 2i8d s PRO 43 Ca -0.03 -0.14 0.03 0.00 0.02 0.00 0.00 61.00 60.87 2i8d s PRO 43 Cb -0.00 -1.68 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 2i8d s PRO 43 CO -0.05 -3.29 -0.19 -0.06 -0.33 0.00 0.00 177.00 173.09 2i8d s PHE 45 N -3.26 2.64 0.16 6.54 0.08 -1.26 -1.84 117.98 121.04 2i8d s PHE 45 Ca 0.71 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 57.14 2i8d s PHE 45 Cb -0.08 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2i8d s PHE 45 CO 0.55 -0.21 -0.16 0.95 -0.10 0.00 0.00 175.22 176.24 2i8d s THR 46 N 0.08 1.66 -0.07 0.64 -4.23 -0.01 -1.23 115.64 112.48 2i8d s THR 46 Ca -0.08 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2i8d s THR 46 Cb -0.15 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.92 2i8d s THR 46 CO 0.05 -0.39 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.09 2i8d s ASP 47 N -2.72 1.44 -1.77 3.99 2.15 -0.38 -0.99 116.67 118.39 2i8d s ASP 47 Ca 0.15 -0.14 -0.19 0.00 0.43 0.00 0.00 52.55 52.80 2i8d s ASP 47 Cb -0.05 -0.51 0.18 0.00 -0.30 0.00 0.00 42.92 42.24 2i8d s ASP 47 CO 0.06 -0.13 0.61 0.00 -0.17 0.00 0.00 175.17 175.54 2i8d n HIS 48 N 4.67 -1.42 -1.06 -5.34 1.44 -1.26 -1.25 115.22 111.01 2i8d n HIS 48 Ca -0.15 0.73 -0.02 0.00 -2.01 0.00 0.00 57.72 56.27 2i8d n HIS 48 Cb 0.50 -2.44 -0.01 0.00 0.12 0.00 0.00 29.99 28.16 2i8d n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2i8d n GLY 49 N -1.36 0.55 3.49 -1.39 0.00 -1.26 -5.04 105.19 100.17 2i8d n GLY 49 Ca 0.04 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2i8d n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2i8d s THR 50 N -2.01 2.77 0.22 2.61 -1.32 -0.38 -5.11 115.64 112.43 2i8d s THR 50 Ca 0.00 -1.74 -0.30 0.00 -1.21 0.00 0.00 61.69 58.44 2i8d s THR 50 Cb 0.00 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 68.58 2i8d s THR 50 CO 0.00 -0.04 1.26 0.12 -2.21 0.00 0.00 174.62 173.74 2i8d s PHE 51 N -1.51 3.31 -0.02 9.09 5.36 -1.26 -1.25 117.98 131.70 2i8d s PHE 51 Ca 0.21 1.36 0.03 0.00 -0.96 0.00 0.00 56.93 57.57 2i8d s PHE 51 Cb -0.09 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 39.01 2i8d s PHE 51 CO 0.12 -1.55 0.04 -0.89 -1.46 0.00 0.00 175.22 171.48 2i8d n ILE 52 N 2.17 0.14 -3.77 3.12 2.08 -0.37 -4.87 119.36 117.85 2i8d n ILE 52 Ca 0.04 -0.11 -0.10 0.00 0.56 0.00 0.00 62.75 63.14 2i8d n ILE 52 Cb 0.43 -0.40 -0.06 0.00 -0.75 0.00 0.00 39.64 38.87 2i8d n ILE 52 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2i8d s GLY 54 N -3.01 0.01 0.02 7.39 0.00 -0.33 -4.58 107.32 106.81 2i8d s GLY 54 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2i8d s GLY 54 CO 0.14 -0.53 -0.05 -1.36 0.00 0.00 0.00 173.10 171.30 2i8d s PHE 55 N -3.87 0.46 -0.25 1.90 0.40 -0.77 -1.07 117.98 114.79 2i8d s PHE 55 Ca 0.08 -0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 55.96 2i8d s PHE 55 Cb 0.02 -0.29 0.07 0.00 0.51 0.00 0.00 43.02 43.33 2i8d s PHE 55 CO -0.07 -0.06 0.62 -0.80 0.70 0.00 0.00 175.22 175.61 2i8d s ASN 56 N -0.81 -0.77 0.40 1.36 0.01 -0.69 -4.15 114.94 110.30 2i8d s ASN 56 Ca -0.05 1.32 -0.10 0.00 -0.71 0.00 0.00 52.86 53.33 2i8d s ASN 56 Cb -0.06 1.24 -0.06 0.00 0.41 0.00 0.00 41.25 42.79 2i8d s ASN 56 CO -0.00 -0.22 0.76 -2.16 -1.51 0.00 0.00 177.10 173.96 2i8d s PRO 57 N 1.14 3.75 0.36 -0.60 0.04 -1.26 -0.39 135.00 138.03 2i8d s PRO 57 Ca -0.06 0.42 0.05 0.00 0.04 0.00 0.00 61.00 61.45 2i8d s PRO 57 Cb -0.05 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 2i8d s PRO 57 CO -0.11 -0.04 0.20 -1.54 0.04 0.00 0.00 177.00 175.56 2i8d s SER 58 N -3.24 2.09 0.28 6.66 1.04 0.38 -4.92 113.70 116.01 2i8d s SER 58 Ca 0.50 -1.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 2i8d s SER 58 Cb -0.10 0.53 0.47 0.00 0.10 0.00 0.00 66.02 67.02 2i8d s SER 58 CO 0.32 -1.00 1.90 0.50 0.98 0.00 0.00 173.24 175.94 2i8d h LYS 59 N 2.00 1.08 0.00 4.02 3.64 -1.99 -3.27 116.57 122.05 2i8d h LYS 59 Ca -0.30 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 2i8d h LYS 59 Cb 1.25 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2i8d h LYS 59 CO 0.46 0.71 -1.96 1.63 -2.27 0.00 0.00 179.45 178.02 2i8d n LYS 60 N -4.49 0.64 -3.85 1.90 5.02 -1.26 -4.96 118.16 111.16 2i8d n LYS 60 Ca 0.15 -0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 2i8d n LYS 60 Cb 0.19 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2i8d n LYS 60 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2i8d s HIS 61 N -3.35 0.11 -0.16 2.13 -3.43 -1.24 -5.12 115.29 104.24 2i8d s HIS 61 Ca -0.08 -0.47 -0.18 0.00 -0.80 0.00 0.00 55.06 53.53 2i8d s HIS 61 Cb 0.12 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.47 2i8d s HIS 61 CO 0.84 -0.87 0.50 -1.17 -2.00 0.00 0.00 174.74 172.05 2i8d s LEU 62 N -2.92 4.21 -0.28 5.38 2.96 -1.26 -0.47 118.68 126.30 2i8d s LEU 62 Ca 0.14 0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 2i8d s LEU 62 Cb 0.00 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 2i8d s LEU 62 CO -0.00 -0.10 0.44 0.00 -1.32 0.00 0.00 176.35 175.37 2i8d s ALA 63 N 1.17 3.56 -0.28 5.97 0.00 0.47 -4.98 121.76 127.67 2i8d s ALA 63 Ca 0.25 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 2i8d s ALA 63 Cb -0.15 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2i8d s ALA 63 CO 0.10 -0.76 0.13 0.08 0.00 0.00 0.00 175.76 175.32 2i8d s VAL 64 N 2.19 4.64 -0.15 0.00 1.01 -1.26 -1.70 120.40 125.12 2i8d s VAL 64 Ca 0.18 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2i8d s VAL 64 Cb -0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2i8d s VAL 64 CO 0.10 0.19 0.37 0.00 0.00 0.00 0.00 175.10 175.76 2i8d s ALA 65 N 1.64 3.55 0.17 5.51 0.00 -0.24 -4.95 121.76 127.44 2i8d s ALA 65 Ca 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.65 2i8d s ALA 65 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2i8d s ALA 65 CO 0.06 0.01 0.02 0.96 0.00 0.00 0.00 175.76 176.82 2i8d s ILE 66 N 0.63 0.50 0.64 0.00 -4.36 -1.26 -1.18 121.20 116.16 2i8d s ILE 66 Ca 0.20 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.49 2i8d s ILE 66 Cb -0.14 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 2i8d s ILE 66 CO 0.06 -0.44 1.06 -1.61 0.24 0.00 0.00 174.94 174.25 2i8d s GLU 67 N -3.96 3.16 0.22 0.37 0.41 -1.26 -4.97 118.70 112.67 2i8d s GLU 67 Ca 0.25 1.08 -0.07 0.00 -0.41 0.00 0.00 54.97 55.82 2i8d s GLU 67 Cb 0.07 -2.02 0.31 0.00 -1.78 0.00 0.00 34.13 30.71 2i8d s GLU 67 CO 0.04 -0.93 1.79 -1.35 -0.49 0.00 0.00 175.26 174.32 2i8d h PRO 68 N -0.07 0.62 -0.83 0.39 0.11 -2.02 -2.20 132.00 128.00 2i8d h PRO 68 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2i8d h PRO 68 Cb 1.21 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2i8d h PRO 68 CO 0.57 0.41 0.39 0.37 -0.21 0.00 0.00 178.00 179.53 2i8d h GLN 69 N 0.64 1.20 -0.56 1.05 4.15 -2.05 -1.02 115.11 118.51 2i8d h GLN 69 Ca 0.34 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2i8d h GLN 69 Cb 0.32 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2i8d h GLN 69 CO -0.24 0.93 0.00 2.41 -1.93 0.00 0.00 178.83 179.99 2i8d n THR 70 N -4.32 0.05 0.00 2.39 -1.04 -0.83 -1.03 114.28 109.50 2i8d n THR 70 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2i8d n THR 70 Cb 0.14 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 2i8d n THR 70 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2i8d n THR 72 N 0.51 0.00 -0.19 12.58 -1.04 -0.39 -1.91 114.28 123.85 2i8d n THR 72 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2i8d n THR 72 Cb 0.06 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.85 2i8d n THR 72 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2i8d h ARG 73 N 0.00 0.91 -0.19 -2.82 1.12 -1.34 -3.24 114.38 108.83 2i8d h ARG 73 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2i8d h ARG 73 Cb 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 2i8d h ARG 73 CO 0.00 0.60 0.00 1.19 -3.11 0.00 0.00 179.97 178.65 2i8d n PHE 74 N -4.43 0.23 -0.19 2.20 3.01 -0.80 -4.59 117.46 112.87 2i8d n PHE 74 Ca 0.08 -0.14 -0.01 0.00 1.01 0.00 0.00 57.45 58.39 2i8d n PHE 74 Cb 0.05 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.58 2i8d n PHE 74 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2i8d h ILE 75 N 3.76 0.44 -0.89 4.37 1.08 -1.82 0.37 117.51 124.82 2i8d h ILE 75 Ca 0.00 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 2i8d h ILE 75 Cb 0.84 0.41 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2i8d h ILE 75 CO 0.00 0.00 0.59 -0.65 -0.69 0.00 0.00 178.15 177.40 2i8d h PRO 76 N 0.03 1.07 -0.10 2.37 0.11 -1.81 -0.73 132.00 132.93 2i8d h PRO 76 Ca 0.29 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.14 2i8d h PRO 76 Cb 0.45 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2i8d h PRO 76 CO -0.58 0.71 -0.75 1.96 -0.21 0.00 0.00 178.00 179.13 2i8d h GLN 77 N 1.10 0.54 -0.46 1.05 7.50 -1.56 -1.39 115.11 121.88 2i8d h GLN 77 Ca 0.36 -0.44 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 2i8d h GLN 77 Cb 0.05 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.65 2i8d h GLN 77 CO -0.11 1.07 0.19 0.82 -1.50 0.00 0.00 178.83 179.30 2i8d h ILE 78 N 0.37 1.20 -0.26 2.54 2.04 -0.62 -1.15 117.51 121.63 2i8d h ILE 78 Ca -0.04 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2i8d h ILE 78 Cb 1.34 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2i8d h ILE 78 CO 0.14 0.23 0.03 0.44 0.00 0.00 0.00 178.15 178.99 2i8d h ASP 79 N 0.61 0.42 -0.85 1.72 3.32 -1.09 -2.13 116.42 118.41 2i8d h ASP 79 Ca 0.16 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.95 2i8d h ASP 79 Cb 0.18 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2i8d h ASP 79 CO -0.01 0.59 0.56 0.50 -1.72 0.00 0.00 179.24 179.16 2i8d h LYS 80 N 0.24 1.07 0.00 3.56 1.63 -1.17 -0.50 116.57 121.40 2i8d h LYS 80 Ca 0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2i8d h LYS 80 Cb 0.35 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2i8d h LYS 80 CO 0.01 0.71 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 2i8d n ALA 81 N -2.41 1.74 -1.85 5.00 0.00 -0.44 -4.92 120.51 117.63 2i8d n ALA 81 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2i8d n ALA 81 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2i8d n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i8d n GLY 82 N 0.17 0.45 3.55 0.00 0.00 -0.20 -5.07 105.19 104.10 2i8d n GLY 82 Ca 0.02 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 2i8d n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i8d s TYR 83 N -2.00 2.79 0.57 1.61 2.02 -1.07 -5.05 117.35 116.23 2i8d s TYR 83 Ca 0.00 -0.10 -0.16 0.00 -0.37 0.00 0.00 57.07 56.44 2i8d s TYR 83 Cb 0.00 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 2i8d s TYR 83 CO 0.00 0.33 1.03 -0.51 -1.57 0.00 0.00 175.55 174.83 2i8d s ASP 84 N -1.41 6.13 0.04 2.29 1.01 -1.26 -4.49 116.67 118.98 2i8d s ASP 84 Ca 0.16 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 55.09 2i8d s ASP 84 Cb -0.11 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2i8d s ASP 84 CO 0.07 -0.93 0.01 -1.38 0.21 0.00 0.00 175.17 173.15 2i8d s HIS 85 N -2.58 0.33 -0.04 4.23 -3.43 -1.26 -5.12 115.29 107.42 2i8d s HIS 85 Ca 0.61 -0.71 -0.05 0.00 -0.80 0.00 0.00 55.06 54.11 2i8d s HIS 85 Cb -0.13 -0.24 0.01 0.00 -1.43 0.00 0.00 32.58 30.79 2i8d s HIS 85 CO 0.36 -0.32 0.13 0.45 -2.00 0.00 0.00 174.74 173.36 2i8d s SER 86 N -2.20 -0.10 -0.18 7.38 0.15 -1.26 -5.13 113.70 112.36 2i8d s SER 86 Ca -0.04 0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.78 2i8d s SER 86 Cb -0.01 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2i8d s SER 86 CO -0.05 -0.09 -0.05 -1.10 1.20 0.00 0.00 173.24 173.14 2i8d s GLN 87 N -0.16 1.46 0.08 5.44 1.11 -1.26 -5.10 119.66 121.23 2i8d s GLN 87 Ca -0.02 -0.58 0.06 0.00 0.01 0.00 0.00 55.36 54.83 2i8d s GLN 87 Cb -0.02 -2.10 -0.03 0.00 -1.01 0.00 0.00 33.01 29.85 2i8d s GLN 87 CO 0.00 -0.46 -0.16 0.96 0.01 0.00 0.00 175.29 175.64 2i8d s ILE 88 N 1.60 1.33 -0.14 1.08 -5.25 -1.26 -5.13 121.20 113.42 2i8d s ILE 88 Ca -0.00 -1.40 -0.04 0.00 -0.99 0.00 0.00 60.65 58.22 2i8d s ILE 88 Cb -0.16 -1.25 -0.03 0.00 2.95 0.00 0.00 42.46 43.97 2i8d s ILE 88 CO -0.08 -0.18 -0.01 -0.63 -1.79 0.00 0.00 174.94 172.26 2i8d s ILE 89 N -1.27 4.19 -0.32 8.37 1.01 -1.26 -5.10 121.20 126.81 2i8d s ILE 89 Ca 0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 2i8d s ILE 89 Cb -0.10 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 2i8d s ILE 89 CO 0.03 0.51 0.57 -0.13 0.00 0.00 0.00 174.94 175.92 2i8d s ARG 90 N 0.07 3.79 -0.49 2.79 0.52 -1.26 -5.02 118.95 119.34 2i8d s ARG 90 Ca 0.02 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.24 2i8d s ARG 90 Cb -0.13 -3.76 0.13 0.00 0.52 0.00 0.00 34.95 31.71 2i8d s ARG 90 CO 0.02 -0.59 0.35 -0.06 0.02 0.00 0.00 175.30 175.04 2i8d s PHE 91 N 2.51 3.47 0.44 -0.53 0.40 -1.26 -5.08 117.98 117.93 2i8d s PHE 91 Ca 0.22 -2.07 -0.25 0.00 -0.60 0.00 0.00 56.93 54.23 2i8d s PHE 91 Cb -0.15 -3.44 -0.08 0.00 0.51 0.00 0.00 43.02 39.86 2i8d s PHE 91 CO 0.12 -0.98 1.41 -2.14 0.70 0.00 0.00 175.22 174.34 2i8d s PRO 92 N 1.12 3.74 0.41 0.24 0.02 -1.26 -4.88 135.00 134.39 2i8d s PRO 92 Ca 0.08 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.57 2i8d s PRO 92 Cb -0.24 -2.68 0.86 0.00 0.02 0.00 0.00 34.50 32.46 2i8d s PRO 92 CO -0.02 -0.76 2.02 -1.49 -0.33 0.00 0.00 177.00 176.42 2i8d h TRP 93 N 2.41 0.39 -0.20 6.54 -0.00 -1.98 -2.47 115.95 120.64 2i8d h TRP 93 Ca -0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.38 2i8d h TRP 93 Cb 1.26 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 2i8d h TRP 93 CO 0.51 0.32 0.00 0.72 -0.00 0.00 0.00 178.44 179.98 2i8d n HIS 94 N -4.41 0.26 -4.30 0.49 8.25 -1.26 -4.87 115.22 109.38 2i8d n HIS 94 Ca 0.01 -0.13 -0.26 0.00 -0.26 0.00 0.00 57.72 57.08 2i8d n HIS 94 Cb 0.13 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 2i8d n HIS 94 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2i8d s LYS 95 N -1.74 2.09 0.50 -0.41 3.01 -0.93 -5.11 119.74 117.15 2i8d s LYS 95 Ca 0.32 -1.33 -0.23 0.00 -1.01 0.00 0.00 55.97 53.72 2i8d s LYS 95 Cb 0.17 -2.14 -0.07 0.00 -1.01 0.00 0.00 37.83 34.79 2i8d s LYS 95 CO 0.25 0.41 1.29 -2.30 0.51 0.00 0.00 175.35 175.52 2i8d n PRO 96 N -0.20 1.75 -3.48 -1.68 -0.02 -1.26 -4.76 135.00 125.34 2i8d n PRO 96 Ca -0.09 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 2i8d n PRO 96 Cb 0.56 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 2i8d n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i8d s LEU 97 N -2.61 4.50 -0.88 2.45 2.96 -1.26 -4.90 118.68 118.94 2i8d s LEU 97 Ca 0.67 -0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 53.98 2i8d s LEU 97 Cb -0.45 -2.21 0.05 0.00 0.50 0.00 0.00 46.19 44.08 2i8d s LEU 97 CO 0.53 -0.28 1.33 -0.62 -1.32 0.00 0.00 176.35 175.99 2i8d s ASP 98 N 1.73 6.35 0.39 3.68 -1.08 -1.26 -4.85 116.67 121.63 2i8d s ASP 98 Ca 0.08 -1.07 0.20 0.00 -0.52 0.00 0.00 52.55 51.24 2i8d s ASP 98 Cb -0.17 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.47 2i8d s ASP 98 CO 0.11 -1.60 1.75 -0.33 0.52 0.00 0.00 175.17 175.62 2i8d h GLU 99 N 9.80 0.00 -0.78 4.34 5.08 -1.99 -2.62 114.58 128.41 2i8d h GLU 99 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2i8d h GLU 99 Cb 1.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 2i8d h GLU 99 CO 1.33 0.33 0.40 0.37 -1.00 0.00 0.00 179.01 180.44 2i8d h GLN 100 N 0.00 1.10 -0.34 2.33 5.75 -1.99 0.25 115.11 122.21 2i8d h GLN 100 Ca -0.00 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2i8d h GLN 100 Cb 0.87 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2i8d h GLN 100 CO 0.04 0.84 0.15 1.25 -2.65 0.00 0.00 178.83 178.46 2i8d h LEU 101 N 1.09 0.45 -0.22 -2.39 5.85 -1.89 0.46 115.31 118.66 2i8d h LEU 101 Ca 0.27 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2i8d h LEU 101 Cb 0.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2i8d h LEU 101 CO -0.04 0.47 0.12 0.40 -0.34 0.00 0.00 178.44 179.06 2i8d h ILE 102 N 0.40 1.10 -0.24 4.05 2.04 -1.24 -0.50 117.51 123.12 2i8d h ILE 102 Ca 0.11 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2i8d h ILE 102 Cb 0.15 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 2i8d h ILE 102 CO -0.01 0.10 -0.23 -0.74 0.00 0.00 0.00 178.15 177.27 2i8d h HIS 103 N 0.25 -0.60 -0.99 1.37 2.76 -0.37 -1.26 115.15 116.32 2i8d h HIS 103 Ca 0.08 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2i8d h HIS 103 Cb 0.05 0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 2i8d h HIS 103 CO -0.04 -0.30 0.63 -0.44 -1.30 0.00 0.00 177.93 176.48 2i8d h ASP 104 N -0.23 1.15 -0.50 3.26 3.32 -0.57 0.42 116.42 123.27 2i8d h ASP 104 Ca 0.14 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2i8d h ASP 104 Cb 0.44 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2i8d h ASP 104 CO -0.37 0.85 0.33 -0.07 -1.72 0.00 0.00 179.24 178.26 2i8d h LEU 105 N 1.35 0.57 -0.14 1.55 3.38 -0.70 -0.80 115.31 120.51 2i8d h LEU 105 Ca 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2i8d h LEU 105 Cb -0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2i8d h LEU 105 CO -0.07 0.41 0.04 0.40 0.09 0.00 0.00 178.44 179.30 2i8d h ILE 106 N 0.67 1.20 -0.60 1.22 2.04 -0.86 -1.93 117.51 119.25 2i8d h ILE 106 Ca 0.18 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2i8d h ILE 106 Cb -0.07 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2i8d h ILE 106 CO -0.04 0.19 0.39 0.00 0.00 0.00 0.00 178.15 178.68 2i8d h ALA 107 N 0.84 0.76 -0.62 1.87 0.00 -0.74 0.49 119.26 121.86 2i8d h ALA 107 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2i8d h ALA 107 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2i8d h ALA 107 CO 0.00 0.16 0.26 -0.92 0.00 0.00 0.00 179.25 178.75 2i8d h TYR 108 N 0.78 0.94 -0.39 0.00 3.20 -1.14 -1.65 116.97 118.70 2i8d h TYR 108 Ca 0.23 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2i8d h TYR 108 Cb -0.06 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2i8d h TYR 108 CO -0.04 0.74 -0.16 1.15 -1.64 0.00 0.00 178.16 178.21 2i8d h THR 109 N 0.87 1.28 -0.17 1.81 2.02 -0.72 -0.93 112.91 117.06 2i8d h THR 109 Ca 0.21 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.15 2i8d h THR 109 Cb 0.19 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2i8d h THR 109 CO -0.02 0.43 -0.06 0.40 0.37 0.00 0.00 175.52 176.63 2i8d h ILE 110 N 0.60 0.78 -0.28 3.11 2.04 -0.80 0.24 117.51 123.19 2i8d h ILE 110 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2i8d h ILE 110 Cb 0.70 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2i8d h ILE 110 CO 0.05 0.00 0.16 -0.78 0.00 0.00 0.00 178.15 177.59 2i8d h ASP 111 N -0.03 0.27 0.13 1.72 3.58 -1.14 -2.20 116.42 118.74 2i8d h ASP 111 Ca 0.09 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2i8d h ASP 111 Cb 0.17 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2i8d h ASP 111 CO -0.20 0.20 -0.13 1.56 -2.88 0.00 0.00 179.24 177.79 2i8d h GLN 112 N 0.34 0.00 -0.27 0.28 1.08 -0.73 -2.87 115.11 112.94 2i8d h GLN 112 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2i8d h GLN 112 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2i8d h GLN 112 CO -0.05 0.13 0.00 1.63 -0.95 0.00 0.00 178.83 179.59 2i8d n LYS 113 N -4.38 1.99 -0.27 1.46 4.76 0.03 -4.55 118.16 117.20 2i8d n LYS 113 Ca -0.03 -1.51 0.08 0.00 -2.87 0.00 0.00 58.31 53.99 2i8d n LYS 113 Cb 0.20 -1.42 0.22 0.00 -1.84 0.00 0.00 35.03 32.19 2i8d n LYS 113 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2i8d h LYS 114 N 2.90 0.38 -0.34 1.97 3.64 -1.19 -0.42 116.57 123.51 2i8d h LYS 114 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2i8d h LYS 114 Cb 0.64 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2i8d h LYS 114 CO 0.00 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.18 2i8d n ASP 115 N -5.05 4.06 -4.77 4.20 8.00 -1.26 -5.03 116.55 116.70 2i8d n ASP 115 Ca 0.17 -2.83 -0.38 0.00 0.71 0.00 0.00 54.79 52.46 2i8d n ASP 115 Cb 0.50 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 2i8d n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i8d s ALA 116 N -2.50 3.10 -0.35 2.24 0.00 -0.17 -4.96 121.76 119.13 2i8d s ALA 116 Ca 0.42 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.46 2i8d s ALA 116 Cb 0.32 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 20.08 2i8d s ALA 116 CO 0.12 -0.70 0.88 0.25 0.00 0.00 0.00 175.76 176.30 2i8d n THR 117 N -0.15 0.57 -4.29 0.00 -2.24 -1.26 -5.01 114.28 101.90 2i8d n THR 117 Ca 0.05 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.89 2i8d n THR 117 Cb 0.46 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 2i8d n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2i8d s THR 118 N -0.69 1.32 0.04 4.28 -4.23 -1.26 -5.07 115.64 110.03 2i8d s THR 118 Ca 0.06 -2.10 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 2i8d s THR 118 Cb 0.03 -1.96 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 2i8d s THR 118 CO 0.05 -0.66 1.50 0.15 -0.54 0.00 0.00 174.62 175.12 2i8d h PHE 119 N 2.68 0.11 -2.96 3.99 3.57 -2.04 -3.44 116.94 118.85 2i8d h PHE 119 Ca -0.37 -0.02 -0.61 0.00 3.53 0.00 0.00 57.97 60.50 2i8d h PHE 119 Cb 1.20 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 2i8d h PHE 119 CO 0.66 0.33 -0.54 -1.58 -2.23 0.00 0.00 178.31 174.95 2i8d s TRP 120 N -5.14 3.35 0.25 0.41 0.52 -1.26 -5.08 118.94 111.99 2i8d s TRP 120 Ca -0.14 0.14 -0.31 0.00 0.02 0.00 0.00 56.10 55.81 2i8d s TRP 120 Cb 0.05 -1.67 -0.11 0.00 -1.15 0.00 0.00 33.47 30.58 2i8d s TRP 120 CO 0.68 0.55 1.62 -1.14 0.02 0.00 0.00 176.95 178.69 2i8d s GLN 121 N -2.60 4.14 0.00 4.98 0.74 -1.26 -5.05 119.66 120.61 2i8d s GLN 121 Ca 0.32 2.55 0.07 0.00 0.05 0.00 0.00 55.36 58.35 2i8d s GLN 121 Cb -0.12 -3.06 0.05 0.00 1.10 0.00 0.00 33.01 30.98 2i8d s GLN 121 CO 0.25 -0.66 0.71 0.54 -0.55 0.00 0.00 175.29 175.58