#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o n SER 11 N 0.00 0.00 -0.03 3.42 7.64 -1.26 -2.00 113.62 121.39 2a7o n SER 11 Ca 0.00 -0.50 -0.15 0.00 1.01 0.00 0.00 58.87 59.24 2a7o n SER 11 Cb 0.00 -0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 2a7o n SER 11 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2a7o h SER 12 N 0.00 0.15 0.53 6.43 4.64 -2.01 -2.73 113.55 120.57 2a7o h SER 12 Ca 0.00 -0.75 -0.27 0.00 -0.47 0.00 0.00 61.79 60.30 2a7o h SER 12 Cb 0.09 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2a7o h SER 12 CO 0.00 0.89 -1.18 1.05 -0.87 0.00 0.00 176.83 176.72 2a7o h GLU 13 N -0.57 0.32 -0.82 4.77 4.11 -1.90 -1.67 114.58 118.82 2a7o h GLU 13 Ca -0.02 -0.49 0.08 0.00 0.07 0.00 0.00 59.36 59.01 2a7o h GLU 13 Cb 0.91 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2a7o h GLU 13 CO 0.03 1.20 0.54 1.25 0.07 0.00 0.00 179.01 182.10 2a7o h LEU 14 N 0.12 0.75 0.04 3.06 6.46 -1.52 -1.26 115.31 122.96 2a7o h LEU 14 Ca -0.13 0.01 -0.27 0.00 -0.12 0.00 0.00 57.88 57.37 2a7o h LEU 14 Cb 1.88 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.64 2a7o h LEU 14 CO 0.20 0.46 -1.42 0.00 -0.62 0.00 0.00 178.44 177.07 2a7o h ALA 15 N 1.57 0.45 -0.89 1.25 0.00 -1.42 0.21 119.26 120.43 2a7o h ALA 15 Ca 0.37 -1.16 0.12 0.00 0.00 0.00 0.00 54.91 54.24 2a7o h ALA 15 Cb 0.33 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2a7o h ALA 15 CO -0.14 1.31 0.51 0.87 0.00 0.00 0.00 179.25 181.80 2a7o h LYS 16 N 0.03 0.77 0.12 0.00 1.57 -0.27 0.32 116.57 119.10 2a7o h LYS 16 Ca -0.18 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.28 2a7o h LYS 16 Cb 1.93 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2a7o h LYS 16 CO 0.13 0.51 -1.24 0.87 -0.57 0.00 0.00 179.45 179.14 2a7o h LYS 17 N 0.79 0.24 -0.12 3.15 6.56 -1.37 -3.29 116.57 122.54 2a7o h LYS 17 Ca 0.45 -0.42 -0.10 0.00 -1.06 0.00 0.00 60.65 59.52 2a7o h LYS 17 Cb 0.51 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 2a7o h LYS 17 CO -0.29 1.19 -0.38 1.03 -2.06 0.00 0.00 179.45 178.94 2a7o h SER 18 N 0.07 0.27 0.40 0.86 0.87 0.73 -0.97 113.55 115.77 2a7o h SER 18 Ca -0.13 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 2a7o h SER 18 Cb 1.96 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 2a7o h SER 18 CO 0.19 0.63 -0.44 0.11 -0.53 0.00 0.00 176.83 176.79 2a7o h LYS 19 N 0.22 0.05 0.18 2.24 1.57 -0.52 0.43 116.57 120.73 2a7o h LYS 19 Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2a7o h LYS 19 Cb 0.77 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2a7o h LYS 19 CO 0.06 0.48 -0.09 0.93 -0.57 0.00 0.00 179.45 180.27 2a7o h GLU 20 N 0.04 -0.23 -0.52 3.15 5.08 -1.42 0.11 114.58 120.79 2a7o h GLU 20 Ca 0.00 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2a7o h GLU 20 Cb 0.80 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2a7o h GLU 20 CO 0.06 0.17 0.34 0.28 -1.00 0.00 0.00 179.01 178.86 2a7o h VAL 21 N -0.73 1.12 0.17 3.13 2.07 -1.05 -0.62 116.25 120.34 2a7o h VAL 21 Ca -0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2a7o h VAL 21 Cb 0.51 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2a7o h VAL 21 CO 0.04 0.13 -0.08 0.15 0.02 0.00 0.00 177.57 177.82 2a7o h PHE 22 N 0.69 -0.22 0.00 1.57 3.57 -0.14 -0.57 116.94 121.85 2a7o h PHE 22 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2a7o h PHE 22 Cb -0.07 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2a7o h PHE 22 CO -0.04 0.01 -0.05 0.07 -2.23 0.00 0.00 178.31 176.07 2a7o h ARG 23 N -0.42 0.00 -0.06 1.11 -0.00 -0.55 0.18 114.38 114.65 2a7o h ARG 23 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 2a7o h ARG 23 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.29 2a7o h ARG 23 CO 0.04 0.05 -0.08 0.87 -0.00 0.00 0.00 179.97 180.85 2a7o h LYS 24 N 0.00 0.15 -0.10 0.08 1.57 -0.46 0.75 116.57 118.56 2a7o h LYS 24 Ca -0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2a7o h LYS 24 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2a7o h LYS 24 CO 0.01 0.64 -0.37 1.05 -0.57 0.00 0.00 179.45 180.20 2a7o h GLU 25 N -0.32 0.21 0.14 3.15 4.11 -0.48 -0.68 114.58 120.70 2a7o h GLU 25 Ca 0.01 -0.09 -0.29 0.00 0.07 0.00 0.00 59.36 59.05 2a7o h GLU 25 Cb 0.62 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.88 2a7o h GLU 25 CO 0.02 0.56 -1.25 1.98 0.07 0.00 0.00 179.01 180.38 2a7o h MET 26 N 0.18 0.47 -0.71 1.06 4.05 -0.71 -1.35 114.93 117.93 2a7o h MET 26 Ca 0.02 -0.69 -0.01 0.00 -0.28 0.00 0.00 59.70 58.73 2a7o h MET 26 Cb 0.74 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 2a7o h MET 26 CO 0.06 1.31 0.39 0.77 0.23 0.00 0.00 176.91 179.66 2a7o h SER 27 N 0.18 0.88 -0.11 1.39 0.02 -0.53 0.40 113.55 115.78 2a7o h SER 27 Ca -0.17 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 2a7o h SER 27 Cb 1.94 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 64.26 2a7o h SER 27 CO 0.23 0.71 -0.48 0.06 -1.14 0.00 0.00 176.83 176.20 2a7o h GLN 28 N 0.99 0.53 -0.25 3.45 3.07 -1.12 0.29 115.11 122.07 2a7o h GLN 28 Ca 0.25 -0.42 0.04 0.00 0.09 0.00 0.00 58.65 58.62 2a7o h GLN 28 Cb 0.03 0.08 -0.04 0.00 0.08 0.00 0.00 27.48 27.63 2a7o h GLN 28 CO -0.04 1.04 -0.00 0.35 0.09 0.00 0.00 178.83 180.27 2a7o h PHE 29 N 0.14 -0.01 -0.41 0.06 3.57 -0.96 0.40 116.94 119.72 2a7o h PHE 29 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2a7o h PHE 29 Cb 1.12 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2a7o h PHE 29 CO 0.11 -0.04 0.18 0.82 -2.23 0.00 0.00 178.31 177.15 2a7o h ILE 30 N 0.08 1.19 -0.57 1.41 2.04 -0.10 0.75 117.51 122.31 2a7o h ILE 30 Ca 0.12 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.52 2a7o h ILE 30 Cb 0.15 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2a7o h ILE 30 CO -0.20 0.21 0.08 0.58 0.00 0.00 0.00 178.15 178.82 2a7o h VAL 31 N 0.52 0.62 -0.61 1.67 2.07 -0.20 0.44 116.25 120.77 2a7o h VAL 31 Ca 0.14 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2a7o h VAL 31 Cb 0.16 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2a7o h VAL 31 CO -0.01 0.04 0.40 -0.61 0.02 0.00 0.00 177.57 177.40 2a7o h GLN 32 N 0.20 0.80 -0.42 1.57 -0.00 -0.31 0.10 115.11 117.05 2a7o h GLN 32 Ca 0.30 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.81 2a7o h GLN 32 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 2a7o h GLN 32 CO -0.42 0.54 -0.06 0.00 0.00 0.00 0.00 178.83 178.90 2a7o h LEU 34 N 0.67 0.00 -0.96 0.00 3.38 0.43 -3.36 115.31 115.46 2a7o h LEU 34 Ca 0.12 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.27 2a7o h LEU 34 Cb 0.50 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.08 2a7o h LEU 34 CO 0.03 0.04 -0.29 0.78 0.09 0.00 0.00 178.44 179.09 2a7o h ASN 35 N 0.00 -1.07 0.61 -0.43 2.35 -0.47 0.67 115.58 117.24 2a7o h ASN 35 Ca -0.00 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2a7o h ASN 35 Cb 1.03 0.65 0.00 0.00 0.05 0.00 0.00 38.32 40.05 2a7o h ASN 35 CO 0.00 -0.31 0.00 1.55 -1.65 0.00 0.00 177.43 177.03 2a7o h PRO 36 N -0.01 0.00 0.00 0.81 0.13 -1.75 -2.73 132.00 128.46 2a7o h PRO 36 Ca 0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.41 2a7o h PRO 36 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2a7o h PRO 36 CO -0.98 0.00 -0.92 1.88 -0.23 0.00 0.00 178.00 177.75 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.11 -3.19 116.97 112.22 2a7o h TYR 37 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a7o h TYR 37 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 2a7o h TYR 37 CO 0.00 0.56 -0.14 2.89 -0.00 0.00 0.00 178.16 181.47 2a7o n ARG 38 N -3.09 0.94 -2.74 4.88 1.85 -0.95 0.01 116.66 117.57 2a7o n ARG 38 Ca -0.03 -0.46 -0.38 0.00 -1.00 0.00 0.00 57.85 55.98 2a7o n ARG 38 Cb 0.79 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.65 2a7o n ARG 38 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a7o s LYS 39 N -2.38 4.65 0.00 2.89 -0.14 -1.21 -4.76 119.74 118.80 2a7o s LYS 39 Ca 0.30 1.42 0.13 0.00 -1.36 0.00 0.00 55.97 56.46 2a7o s LYS 39 Cb 0.20 -2.96 0.64 0.00 -1.68 0.00 0.00 37.83 34.03 2a7o s LYS 39 CO 0.46 0.32 1.33 -0.35 -0.76 0.00 0.00 175.35 176.36 2a7o n PRO 40 N 0.85 0.17 -0.13 -1.68 -0.04 -1.26 -0.96 135.00 131.95 2a7o n PRO 40 Ca 0.01 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2a7o n PRO 40 Cb 0.49 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.68 2a7o n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2a7o n ASP 41 N -1.30 2.99 -4.69 3.54 5.75 -1.26 -4.92 116.55 116.66 2a7o n ASP 41 Ca 0.06 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.49 2a7o n ASP 41 Cb 0.11 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a7o h LYS 43 N 8.10 0.06 -4.26 0.00 1.63 -1.89 -3.42 116.57 116.79 2a7o h LYS 43 Ca -0.40 -0.10 -0.53 0.00 -0.85 0.00 0.00 60.65 58.77 2a7o h LYS 43 Cb 1.19 0.04 -0.37 0.00 -0.60 0.00 0.00 32.23 32.49 2a7o h LYS 43 CO 0.92 0.69 -0.80 0.54 -3.45 0.00 0.00 179.45 177.35 2a7o s VAL 44 N -2.60 1.05 -0.61 2.00 0.11 -1.26 -4.29 120.40 114.79 2a7o s VAL 44 Ca -0.07 -0.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.65 2a7o s VAL 44 Cb 0.08 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2a7o s VAL 44 CO 0.82 0.37 0.52 0.61 -3.33 0.00 0.00 175.10 174.09 2a7o n GLY 45 N 4.85 0.13 3.66 6.54 0.00 0.11 -4.88 105.19 115.60 2a7o n GLY 45 Ca -0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2a7o n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a7o s ARG 46 N -5.06 4.20 -0.06 1.61 3.52 -0.00 -4.40 118.95 118.76 2a7o s ARG 46 Ca 0.12 1.99 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 2a7o s ARG 46 Cb -0.05 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 2a7o s ARG 46 CO 0.35 -0.78 1.47 0.42 -0.81 0.00 0.00 175.30 175.94 2a7o s ILE 47 N 3.76 3.79 0.04 4.11 1.01 0.10 0.11 121.20 134.13 2a7o s ILE 47 Ca 0.66 1.05 -0.24 0.00 0.00 0.00 0.00 60.65 62.12 2a7o s ILE 47 Cb -0.29 -3.68 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 2a7o s ILE 47 CO 0.24 -0.06 1.37 0.71 0.00 0.00 0.00 174.94 177.20 2a7o h THR 48 N 5.30 0.00 -3.60 2.92 1.35 -1.90 -3.44 112.91 113.55 2a7o h THR 48 Ca -0.36 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.03 2a7o h THR 48 Cb 1.16 0.00 -0.19 0.00 -1.73 0.00 0.00 68.15 67.39 2a7o h THR 48 CO 0.94 0.00 -0.78 -0.89 -0.25 0.00 0.00 175.52 174.54 2a7o s THR 49 N -4.91 1.51 0.26 6.82 2.01 -1.26 -5.02 115.64 115.06 2a7o s THR 49 Ca -0.13 -1.70 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 2a7o s THR 49 Cb 0.02 -1.58 0.27 0.00 0.01 0.00 0.00 72.50 71.22 2a7o s THR 49 CO 0.39 -0.31 1.90 0.00 -0.69 0.00 0.00 174.62 175.91 2a7o h THR 50 N 3.62 1.14 -0.08 -0.82 1.03 -1.98 0.23 112.91 116.04 2a7o h THR 50 Ca -0.42 -0.42 -0.06 0.00 -0.01 0.00 0.00 66.41 65.50 2a7o h THR 50 Cb 1.20 -0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 68.06 2a7o h THR 50 CO 0.48 0.23 -0.22 -0.33 -0.01 0.00 0.00 175.52 175.67 2a7o h GLU 51 N 1.23 0.13 0.02 0.00 4.39 -1.98 0.41 114.58 118.78 2a7o h GLU 51 Ca 0.42 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.83 2a7o h GLU 51 Cb 0.08 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2a7o h GLU 51 CO -0.15 0.35 -1.01 -0.44 -1.16 0.00 0.00 179.01 176.60 2a7o h ASP 52 N 0.12 0.68 -0.07 1.42 3.32 -1.58 0.36 116.42 120.68 2a7o h ASP 52 Ca 0.02 -0.56 0.03 0.00 0.02 0.00 0.00 57.03 56.55 2a7o h ASP 52 Cb 0.46 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2a7o h ASP 52 CO 0.03 1.36 -0.14 0.15 -1.72 0.00 0.00 179.24 178.92 2a7o h PHE 53 N 0.28 -0.36 -0.75 4.55 3.04 0.01 0.52 116.94 124.23 2a7o h PHE 53 Ca -0.11 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 2a7o h PHE 53 Cb 1.66 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 40.31 2a7o h PHE 53 CO 0.08 -0.21 0.37 0.87 -2.02 0.00 0.00 178.31 177.40 2a7o h LYS 54 N -0.20 1.08 -0.14 1.11 1.57 -0.86 0.18 116.57 119.30 2a7o h LYS 54 Ca 0.07 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2a7o h LYS 54 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2a7o h LYS 54 CO -0.19 0.83 0.09 1.25 -0.57 0.00 0.00 179.45 180.87 2a7o h HIS 55 N 1.05 0.18 -0.06 -1.35 2.76 -0.50 -1.12 115.15 116.11 2a7o h HIS 55 Ca 0.26 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 2a7o h HIS 55 Cb 0.10 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2a7o h HIS 55 CO 0.01 0.12 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.68 2a7o h LEU 56 N 0.18 0.12 -0.78 0.26 3.38 -0.66 -1.05 115.31 116.77 2a7o h LEU 56 Ca 0.05 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.80 2a7o h LEU 56 Cb -0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2a7o h LEU 56 CO -0.01 0.43 0.39 0.00 0.09 0.00 0.00 178.44 179.35 2a7o h ALA 57 N 0.69 1.13 -0.06 1.53 0.00 -0.38 0.20 119.26 122.36 2a7o h ALA 57 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2a7o h ALA 57 Cb 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2a7o h ALA 57 CO 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.17 2a7o h ARG 58 N 0.61 0.13 -0.67 0.00 3.08 -1.15 -1.31 114.38 115.07 2a7o h ARG 58 Ca 0.41 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 2a7o h ARG 58 Cb 0.51 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2a7o h ARG 58 CO -0.32 0.49 0.29 -0.22 -1.07 0.00 0.00 179.97 179.14 2a7o h LYS 59 N -0.24 0.98 -0.55 0.04 3.64 -0.22 -0.31 116.57 119.91 2a7o h LYS 59 Ca 0.01 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 2a7o h LYS 59 Cb 0.44 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2a7o h LYS 59 CO 0.01 0.80 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.91 2a7o h LEU 60 N 0.94 0.93 -0.67 5.20 3.38 -0.60 0.31 115.31 124.79 2a7o h LEU 60 Ca 0.23 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2a7o h LEU 60 Cb 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2a7o h LEU 60 CO -0.02 0.99 0.39 0.74 0.09 0.00 0.00 178.44 180.63 2a7o h THR 61 N 0.87 1.02 -0.19 0.22 2.02 -0.75 -1.15 112.91 114.96 2a7o h THR 61 Ca 0.16 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 2a7o h THR 61 Cb 0.53 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2a7o h THR 61 CO 0.03 0.13 -0.49 -0.74 0.37 0.00 0.00 175.52 174.83 2a7o h HIS 62 N 0.74 0.61 -0.14 3.16 -0.00 -0.01 -1.93 115.15 117.58 2a7o h HIS 62 Ca 0.29 -0.20 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 2a7o h HIS 62 Cb 0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2a7o h HIS 62 CO -0.06 0.89 -0.25 0.78 -0.00 0.00 0.00 177.93 179.28 2a7o h GLY 63 N 1.12 0.45 1.46 5.26 0.00 0.06 -1.43 103.07 109.99 2a7o h GLY 63 Ca 0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2a7o h GLY 63 CO 0.09 0.47 0.01 -2.08 0.00 0.00 0.00 176.54 175.03 2a7o h VAL 64 N 0.02 1.22 0.09 4.60 2.07 -1.17 0.10 116.25 123.19 2a7o h VAL 64 Ca 0.01 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2a7o h VAL 64 Cb 0.83 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2a7o h VAL 64 CO 0.06 0.31 -0.05 -0.03 0.02 0.00 0.00 177.57 177.88 2a7o h MET 65 N 0.63 -0.12 -0.65 1.57 -1.53 -1.32 -0.39 114.93 113.12 2a7o h MET 65 Ca 0.13 0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.32 2a7o h MET 65 Cb 0.38 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.43 2a7o h MET 65 CO 0.01 -0.08 0.10 -0.91 0.14 0.00 0.00 176.91 176.18 2a7o h ASN 66 N -0.13 1.01 -0.21 1.39 2.35 -0.59 0.19 115.58 119.59 2a7o h ASN 66 Ca -0.01 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 2a7o h ASN 66 Cb 0.10 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2a7o h ASN 66 CO 0.02 1.01 0.11 0.11 -1.65 0.00 0.00 177.43 177.03 2a7o h LYS 67 N 0.99 0.23 0.00 0.81 1.57 -0.33 0.11 116.57 119.95 2a7o h LYS 67 Ca 0.20 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 67 Cb 0.43 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2a7o h LYS 67 CO 0.01 0.15 -0.93 1.05 -0.57 0.00 0.00 179.45 179.17 2a7o h GLU 68 N 0.24 0.36 0.00 3.15 4.11 -0.87 0.45 114.58 122.03 2a7o h GLU 68 Ca 0.08 -0.39 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2a7o h GLU 68 Cb 0.00 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2a7o h GLU 68 CO -0.04 1.07 -0.01 -0.07 0.07 0.00 0.00 179.01 180.03 2a7o h LEU 69 N 0.20 0.00 0.00 3.06 -0.00 -0.36 0.76 115.31 118.98 2a7o h LEU 69 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2a7o h LEU 69 Cb 1.56 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.21 2a7o h LEU 69 CO 0.16 0.01 -1.35 2.29 -0.00 0.00 0.00 178.44 179.54 2a7o n LYS 70 N -3.99 0.62 -0.09 1.13 2.85 0.34 -2.44 118.16 116.59 2a7o n LYS 70 Ca -0.03 0.08 -0.14 0.00 -1.05 0.00 0.00 58.31 57.16 2a7o n LYS 70 Cb 0.09 -1.75 -0.14 0.00 -0.65 0.00 0.00 35.03 32.58 2a7o n LYS 70 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2a7o n TYR 71 N -2.64 0.28 -0.09 5.58 4.01 0.11 -4.60 117.16 119.81 2a7o n TYR 71 Ca -0.04 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 2a7o n TYR 71 Cb 0.64 -1.04 -0.12 0.00 -0.31 0.00 0.00 39.34 38.51 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a7o n LYS 73 N -4.35 0.00 -3.37 0.00 5.02 -1.02 -4.86 118.16 109.57 2a7o n LYS 73 Ca -0.29 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.57 2a7o n LYS 73 Cb 0.70 -0.48 -0.09 0.00 -0.02 0.00 0.00 35.03 35.14 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2a7o s ASN 74 N 0.00 6.17 0.00 4.39 0.01 -1.26 -4.93 114.94 119.32 2a7o s ASN 74 Ca 0.00 -0.65 0.20 0.00 -0.71 0.00 0.00 52.86 51.70 2a7o s ASN 74 Cb 0.00 -2.20 1.14 0.00 0.41 0.00 0.00 41.25 40.60 2a7o s ASN 74 CO 0.00 -0.50 1.60 -0.81 -1.51 0.00 0.00 177.10 175.88 2a7o n PRO 75 N 5.44 0.52 0.00 -0.60 -0.04 -1.26 -1.75 135.00 137.31 2a7o n PRO 75 Ca -0.09 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 2a7o n PRO 75 Cb 0.48 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.80 2a7o n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2a7o n GLU 76 N -1.09 0.24 0.00 0.54 2.13 -1.26 -1.00 120.64 120.20 2a7o n GLU 76 Ca 0.13 0.13 0.02 0.00 0.66 0.00 0.00 57.16 58.10 2a7o n GLU 76 Cb 0.10 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.30 2a7o n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2a7o n ASP 77 N -1.24 0.64 -4.51 4.31 2.03 -0.72 -4.95 116.55 112.12 2a7o n ASP 77 Ca 0.07 -0.82 -0.42 0.00 0.52 0.00 0.00 54.79 54.14 2a7o n ASP 77 Cb 0.10 0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 2a7o n ASP 77 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2a7o s LEU 78 N -1.46 3.79 0.00 -2.67 2.96 -0.17 -4.92 118.68 116.21 2a7o s LEU 78 Ca 0.03 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 2a7o s LEU 78 Cb 0.03 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 2a7o s LEU 78 CO 0.11 -1.61 0.05 -0.70 -1.32 0.00 0.00 176.35 172.88 2a7o s GLU 79 N 4.84 0.32 -1.31 1.98 2.56 -1.26 -4.81 118.70 121.02 2a7o s GLU 79 Ca 0.30 -0.37 -0.12 0.00 0.00 0.00 0.00 54.97 54.78 2a7o s GLU 79 Cb -0.11 0.12 0.13 0.00 2.00 0.00 0.00 34.13 36.27 2a7o s GLU 79 CO 0.10 -0.06 1.85 0.00 -0.56 0.00 0.00 175.26 176.58 2a7o n ASN 81 N 5.31 1.16 -0.05 0.00 0.23 -1.26 -4.81 115.26 115.83 2a7o n ASN 81 Ca 0.43 -1.85 -0.09 0.00 -0.53 0.00 0.00 54.58 52.54 2a7o n ASN 81 Cb 0.39 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 2a7o n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2a7o h GLU 82 N 0.00 -0.31 -0.36 -3.83 4.39 -1.98 0.65 114.58 113.14 2a7o h GLU 82 Ca -0.16 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.64 2a7o h GLU 82 Cb 0.70 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.34 2a7o h GLU 82 CO 0.22 -0.21 -0.18 -0.91 -1.16 0.00 0.00 179.01 176.77 2a7o h ASN 83 N -0.33 -0.60 -0.31 1.42 2.35 -1.95 0.23 115.58 116.39 2a7o h ASN 83 Ca 0.13 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2a7o h ASN 83 Cb 0.53 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 2a7o h ASN 83 CO -0.43 -0.21 0.10 0.58 -1.65 0.00 0.00 177.43 175.82 2a7o h VAL 84 N -0.12 1.20 -0.41 2.81 2.07 -1.53 -1.51 116.25 118.76 2a7o h VAL 84 Ca 0.18 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2a7o h VAL 84 Cb 0.39 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2a7o h VAL 84 CO -0.43 0.22 0.11 0.11 0.02 0.00 0.00 177.57 177.59 2a7o h LYS 85 N 0.35 0.24 -0.15 1.57 1.57 0.69 0.52 116.57 121.36 2a7o h LYS 85 Ca 0.10 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2a7o h LYS 85 Cb 0.24 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2a7o h LYS 85 CO -0.00 0.16 -0.37 1.25 -0.57 0.00 0.00 179.45 179.92 2a7o h HIS 86 N 0.25 -1.04 -0.70 -1.35 2.76 -0.09 0.22 115.15 115.20 2a7o h HIS 86 Ca 0.20 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2a7o h HIS 86 Cb 0.22 0.48 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2a7o h HIS 86 CO -0.18 -0.44 0.35 0.87 -1.30 0.00 0.00 177.93 177.23 2a7o h LYS 87 N -0.43 0.99 0.38 5.26 1.57 -0.85 -1.87 116.57 121.61 2a7o h LYS 87 Ca 0.09 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2a7o h LYS 87 Cb 0.59 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2a7o h LYS 87 CO -0.39 0.75 -0.18 1.15 -0.57 0.00 0.00 179.45 180.21 2a7o h THR 88 N 0.99 0.00 -0.28 -0.16 2.02 0.75 0.13 112.91 116.35 2a7o h THR 88 Ca 0.24 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2a7o h THR 88 Cb 0.08 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 2a7o h THR 88 CO -0.03 0.00 -0.00 0.07 0.37 0.00 0.00 175.52 175.92 2a7o h LYS 89 N -1.11 0.43 -0.34 6.66 5.09 -0.64 0.46 116.57 127.12 2a7o h LYS 89 Ca -0.05 -0.08 -0.10 0.00 0.09 0.00 0.00 60.65 60.51 2a7o h LYS 89 Cb 0.39 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.64 2a7o h LYS 89 CO 0.09 0.46 -0.19 0.93 -2.09 0.00 0.00 179.45 178.64 2a7o h GLU 90 N 0.42 0.63 -0.06 0.07 5.08 -1.35 -0.94 114.58 118.43 2a7o h GLU 90 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2a7o h GLU 90 Cb 0.28 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2a7o h GLU 90 CO 0.01 0.79 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.84 2a7o h TYR 91 N 0.56 0.16 -0.07 4.33 3.20 0.11 -1.62 116.97 123.64 2a7o h TYR 91 Ca 0.09 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2a7o h TYR 91 Cb 0.65 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 2a7o h TYR 91 CO 0.03 0.55 -0.39 0.82 -1.64 0.00 0.00 178.16 177.52 2a7o h ILE 92 N -0.27 0.18 -0.29 1.81 1.08 -0.09 0.55 117.51 120.47 2a7o h ILE 92 Ca 0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2a7o h ILE 92 Cb 0.52 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2a7o h ILE 92 CO 0.01 0.00 0.13 0.07 -0.69 0.00 0.00 178.15 177.67 2a7o h LYS 93 N -0.50 0.27 -0.10 2.37 2.10 -1.17 0.60 116.57 120.13 2a7o h LYS 93 Ca 0.07 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.62 2a7o h LYS 93 Cb 0.62 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2a7o h LYS 93 CO -0.35 0.18 -0.30 -0.22 -2.00 0.00 0.00 179.45 176.76 2a7o h LYS 94 N 0.28 0.18 0.14 0.07 3.64 -0.68 -0.63 116.57 119.56 2a7o h LYS 94 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2a7o h LYS 94 Cb 0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2a7o h LYS 94 CO -0.11 0.47 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.56 2a7o h TYR 95 N 0.16 -0.17 0.00 1.91 3.20 0.71 -3.08 116.97 119.70 2a7o h TYR 95 Ca 0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2a7o h TYR 95 Cb 0.62 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2a7o h TYR 95 CO 0.01 0.15 -0.05 0.52 -1.64 0.00 0.00 178.16 177.15 2a7o h MET 96 N -0.50 0.00 0.00 1.82 2.86 0.25 -1.33 114.93 118.03 2a7o h MET 96 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2a7o h MET 96 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2a7o h MET 96 CO 0.03 0.05 0.00 1.96 1.06 0.00 0.00 176.91 180.01 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.07 -2.08 115.11 114.76 2a7o h GLN 97 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2a7o h GLN 97 Cb 0.35 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 2a7o h GLN 97 CO 0.01 0.00 -0.82 1.57 -0.95 0.00 0.00 178.83 178.63 2a7o h LYS 98 N 0.00 0.02 -0.17 1.46 5.09 -1.32 -3.22 116.57 118.44 2a7o h LYS 98 Ca 0.00 -0.02 -0.16 0.00 0.09 0.00 0.00 60.65 60.56 2a7o h LYS 98 Cb 0.23 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.56 2a7o h LYS 98 CO 0.00 0.83 -0.56 0.74 -2.09 0.00 0.00 179.45 178.37 2a7o h PHE 99 N 0.01 0.64 0.00 0.07 0.04 -1.52 -3.49 116.94 112.70 2a7o h PHE 99 Ca -0.01 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.53 2a7o h PHE 99 Cb 1.45 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.48 2a7o h PHE 99 CO 0.00 0.95 0.00 0.41 -0.60 0.00 0.00 178.31 179.07 2a7o n GLY 100 N 0.25 0.78 0.14 -1.45 0.00 -1.22 -4.37 105.19 99.32 2a7o n GLY 100 Ca -0.03 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 2a7o n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7o h ALA 101 N 0.00 -0.03 -3.61 4.61 0.00 -1.91 0.31 119.26 118.64 2a7o h ALA 101 Ca 0.00 -0.69 -0.65 0.00 0.00 0.00 0.00 54.91 53.57 2a7o h ALA 101 Cb 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 17.79 17.67 2a7o h ALA 101 CO 0.00 0.47 -0.84 0.08 0.00 0.00 0.00 179.25 178.95 2a7o s VAL 102 N -2.82 2.17 -0.64 0.00 1.01 -1.26 -0.82 120.40 118.04 2a7o s VAL 102 Ca -0.12 -1.81 -0.25 0.00 0.00 0.00 0.00 61.98 59.80 2a7o s VAL 102 Cb 0.03 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.50 2a7o s VAL 102 CO 0.86 -0.02 1.07 -0.47 0.00 0.00 0.00 175.10 176.54 2a7o s TYR 103 N -1.31 2.59 -0.59 5.22 5.04 0.12 -4.60 117.35 123.81 2a7o s TYR 103 Ca 0.15 -0.16 -0.03 0.00 -2.44 0.00 0.00 57.07 54.59 2a7o s TYR 103 Cb -0.09 -4.35 0.15 0.00 0.35 0.00 0.00 41.96 38.02 2a7o s TYR 103 CO 0.07 -1.68 0.41 0.15 -1.34 0.00 0.00 175.55 173.16 2a7o s LYS 104 N 4.59 2.51 0.60 4.97 1.02 -1.26 -4.21 119.74 127.96 2a7o s LYS 104 Ca 0.30 -2.39 0.40 0.00 0.02 0.00 0.00 55.97 54.30 2a7o s LYS 104 Cb -0.12 -3.74 2.02 0.00 -0.52 0.00 0.00 37.83 35.47 2a7o s LYS 104 CO 0.16 -1.16 2.20 -1.00 -0.92 0.00 0.00 175.35 174.62 2a7o h PRO 105 N 7.27 0.00 -0.33 -1.68 0.13 -1.99 -0.50 132.00 134.90 2a7o h PRO 105 Ca -0.04 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2a7o h PRO 105 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2a7o h PRO 105 CO 0.72 0.00 0.44 0.87 -0.23 0.00 0.00 178.00 179.80 2a7o h LYS 106 N 0.00 0.00 -0.26 0.86 1.57 -2.02 0.72 116.57 117.44 2a7o h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 106 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2a7o h LYS 106 CO 0.00 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.03 2a7o n GLU 107 N -3.52 2.80 -0.73 3.15 0.28 -0.19 -5.03 120.64 117.38 2a7o n GLU 107 Ca 0.06 -2.48 -0.30 0.00 -0.16 0.00 0.00 57.16 54.28 2a7o n GLU 107 Cb 0.59 -1.58 0.19 0.00 1.43 0.00 0.00 31.44 32.07 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2a7o s ASP 108 N -1.63 2.38 0.00 -1.84 2.15 0.24 -5.02 116.67 112.96 2a7o s ASP 108 Ca 0.33 1.86 0.00 0.00 0.43 0.00 0.00 52.55 55.17 2a7o s ASP 108 Cb 0.24 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2a7o s ASP 108 CO 0.10 -3.38 0.49 1.07 -0.17 0.00 0.00 175.17 173.29