#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 0.64 -0.01 3.42 7.64 -1.26 -1.80 113.62 122.25 2a7o n SER 11 Ca 0.00 0.62 -0.12 0.00 1.01 0.00 0.00 58.87 60.38 2a7o n SER 11 Cb 0.00 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.08 0.79 6.43 4.64 -2.00 -1.97 113.55 121.52 2a7o h SER 12 Ca 0.00 -0.25 -0.25 0.00 -0.47 0.00 0.00 61.79 60.82 2a7o h SER 12 Cb 0.48 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2a7o h SER 12 CO 0.00 0.31 -1.16 1.05 -0.87 0.00 0.00 176.83 176.16 2a7o h GLU 13 N -0.15 0.13 -0.26 4.77 4.11 -1.89 -2.90 114.58 118.39 2a7o h GLU 13 Ca 0.02 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.20 2a7o h GLU 13 Cb 0.26 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2a7o h GLU 13 CO 0.00 1.09 0.07 1.25 0.07 0.00 0.00 179.01 181.49 2a7o h LEU 14 N 0.04 0.33 0.00 3.06 5.85 -1.38 -0.36 115.31 122.85 2a7o h LEU 14 Ca -0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2a7o h LEU 14 Cb 1.88 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2a7o h LEU 14 CO 0.16 0.34 -0.34 0.00 -0.34 0.00 0.00 178.44 178.26 2a7o h ALA 15 N 1.71 0.78 -0.47 1.25 0.00 -1.35 -0.50 119.26 120.69 2a7o h ALA 15 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2a7o h ALA 15 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2a7o h ALA 15 CO -0.00 0.00 0.10 0.87 0.00 0.00 0.00 179.25 180.22 2a7o h LYS 16 N 0.00 0.72 0.20 0.00 1.57 -0.84 0.46 116.57 118.68 2a7o h LYS 16 Ca 0.00 -0.14 -0.30 0.00 -1.87 0.00 0.00 60.65 58.34 2a7o h LYS 16 Cb 0.77 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.00 2a7o h LYS 16 CO 0.00 0.66 -1.38 0.87 -0.57 0.00 0.00 179.45 179.03 2a7o h LYS 17 N 0.69 0.43 -0.31 3.15 1.79 -1.50 -3.28 116.57 117.55 2a7o h LYS 17 Ca 0.15 -0.73 -0.07 0.00 -2.18 0.00 0.00 60.65 57.82 2a7o h LYS 17 Cb 0.28 0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2a7o h LYS 17 CO -0.00 1.35 -0.11 1.03 -1.08 0.00 0.00 179.45 180.64 2a7o h SER 18 N -0.03 0.51 -0.41 0.86 0.87 -0.54 0.55 113.55 115.36 2a7o h SER 18 Ca -0.26 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.05 2a7o h SER 18 Cb 1.99 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 2a7o h SER 18 CO 0.21 0.66 -0.22 0.11 -0.53 0.00 0.00 176.83 177.05 2a7o h LYS 19 N 0.48 0.87 -0.18 2.24 1.57 -0.25 0.28 116.57 121.58 2a7o h LYS 19 Ca 0.09 -0.39 -0.19 0.00 -1.87 0.00 0.00 60.65 58.29 2a7o h LYS 19 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2a7o h LYS 19 CO 0.03 1.04 -0.66 1.05 -0.57 0.00 0.00 179.45 180.34 2a7o h GLU 20 N 0.69 0.70 -0.05 3.15 4.11 -1.51 0.26 114.58 121.92 2a7o h GLU 20 Ca 0.09 -0.50 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 2a7o h GLU 20 Cb 0.79 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2a7o h GLU 20 CO 0.06 1.12 -0.00 0.28 0.07 0.00 0.00 179.01 180.55 2a7o h VAL 21 N 0.51 1.26 0.08 -1.06 2.07 -0.81 0.40 116.25 118.70 2a7o h VAL 21 Ca -0.02 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2a7o h VAL 21 Cb 1.25 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2a7o h VAL 21 CO 0.13 0.22 -0.19 0.15 0.02 0.00 0.00 177.57 177.90 2a7o h PHE 22 N -0.21 -0.49 -0.12 1.57 3.57 -0.39 -0.43 116.94 120.45 2a7o h PHE 22 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2a7o h PHE 22 Cb 0.35 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2a7o h PHE 22 CO 0.04 -0.27 0.02 0.07 -2.23 0.00 0.00 178.31 175.94 2a7o h ARG 23 N -0.35 0.17 0.18 1.11 0.11 -0.45 0.17 114.38 115.32 2a7o h ARG 23 Ca 0.03 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 2a7o h ARG 23 Cb 0.38 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2a7o h ARG 23 CO -0.12 0.17 -0.09 -0.22 0.10 0.00 0.00 179.97 179.81 2a7o h LYS 24 N 0.17 -0.24 -0.03 0.08 1.63 0.18 0.14 116.57 118.50 2a7o h LYS 24 Ca 0.04 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 2a7o h LYS 24 Cb 0.08 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2a7o h LYS 24 CO -0.00 0.08 -0.51 1.05 -3.45 0.00 0.00 179.45 176.61 2a7o h GLU 25 N -0.57 0.09 0.02 1.90 4.11 -0.69 -0.98 114.58 118.46 2a7o h GLU 25 Ca -0.03 -0.05 -0.22 0.00 0.07 0.00 0.00 59.36 59.14 2a7o h GLU 25 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2a7o h GLU 25 CO 0.04 0.58 -0.96 1.98 0.07 0.00 0.00 179.01 180.73 2a7o h MET 26 N 0.07 0.25 -0.76 1.06 4.05 -0.66 0.93 114.93 119.88 2a7o h MET 26 Ca -0.00 -0.30 -0.03 0.00 -0.28 0.00 0.00 59.70 59.09 2a7o h MET 26 Cb 0.93 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2a7o h MET 26 CO 0.07 1.04 0.33 0.77 0.23 0.00 0.00 176.91 179.35 2a7o h SER 27 N 0.12 1.00 -0.19 1.39 0.02 -0.32 0.36 113.55 115.93 2a7o h SER 27 Ca -0.07 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2a7o h SER 27 Cb 1.61 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 2a7o h SER 27 CO 0.15 0.87 -0.21 1.56 -1.14 0.00 0.00 176.83 178.06 2a7o h GLN 28 N 1.08 0.48 -0.27 3.45 1.08 -1.01 0.26 115.11 120.18 2a7o h GLN 28 Ca 0.26 -0.26 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2a7o h GLN 28 Cb 0.15 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2a7o h GLN 28 CO -0.03 0.84 0.17 0.35 -0.95 0.00 0.00 178.83 179.21 2a7o h PHE 29 N 0.15 0.32 -0.44 2.96 3.57 -0.46 0.10 116.94 123.14 2a7o h PHE 29 Ca 0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2a7o h PHE 29 Cb 0.76 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2a7o h PHE 29 CO 0.08 0.20 0.13 0.82 -2.23 0.00 0.00 178.31 177.31 2a7o h ILE 30 N 0.35 1.23 -0.51 1.41 2.04 -0.22 0.77 117.51 122.57 2a7o h ILE 30 Ca 0.10 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.29 2a7o h ILE 30 Cb -0.03 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 2a7o h ILE 30 CO -0.03 0.27 0.07 0.58 0.00 0.00 0.00 178.15 179.04 2a7o h VAL 31 N 0.58 0.67 -0.69 1.67 2.07 -0.12 0.38 116.25 120.80 2a7o h VAL 31 Ca 0.14 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2a7o h VAL 31 Cb 0.28 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2a7o h VAL 31 CO -0.00 0.04 0.44 -0.61 0.02 0.00 0.00 177.57 177.45 2a7o h GLN 32 N 0.19 0.85 -0.46 1.57 4.15 -0.35 0.11 115.11 121.17 2a7o h GLN 32 Ca 0.26 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2a7o h GLN 32 Cb 0.37 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2a7o h GLN 32 CO -0.37 0.56 -0.08 0.00 -1.93 0.00 0.00 178.83 177.01 2a7o h LEU 34 N 0.74 0.00 -0.97 0.00 3.38 0.40 -3.37 115.31 115.50 2a7o h LEU 34 Ca 0.13 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.31 2a7o h LEU 34 Cb 0.56 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.13 2a7o h LEU 34 CO 0.03 0.27 -0.20 0.59 0.09 0.00 0.00 178.44 179.23 2a7o n ASN 35 N -3.15 -0.31 0.15 -0.43 3.02 0.31 -0.40 115.26 114.46 2a7o n ASN 35 Ca 0.03 1.67 0.13 0.00 -0.03 0.00 0.00 54.58 56.37 2a7o n ASN 35 Cb 0.64 -0.52 0.54 0.00 -0.61 0.00 0.00 39.78 39.83 2a7o n ASN 35 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2a7o h PRO 36 N 0.00 0.00 0.00 3.52 0.13 -1.76 -2.89 132.00 130.99 2a7o h PRO 36 Ca 0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.47 2a7o h PRO 36 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2a7o h PRO 36 CO -0.99 0.00 -1.05 1.88 -0.23 0.00 0.00 178.00 177.62 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -0.97 -3.22 116.97 112.34 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 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2a7o h TYR 37 CO 0.00 0.60 -0.01 2.89 -0.00 0.00 0.00 178.16 181.64 2a7o n ARG 38 N -3.06 1.49 -2.30 4.88 1.85 -1.03 0.06 116.66 118.55 2a7o n ARG 38 Ca -0.05 -0.74 -0.41 0.00 -1.00 0.00 0.00 57.85 55.65 2a7o n ARG 38 Cb 0.81 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.71 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 -2.03 4.49 0.46 2.89 -0.14 -1.21 -4.74 119.74 119.46 2a7o s LYS 39 Ca 0.39 2.00 0.31 0.00 -1.36 0.00 0.00 55.97 57.32 2a7o s LYS 39 Cb 0.21 -3.15 1.61 0.00 -1.68 0.00 0.00 37.83 34.83 2a7o s LYS 39 CO 0.35 -0.01 1.95 -1.00 -0.76 0.00 0.00 175.35 175.88 2a7o h PRO 40 N 3.89 0.00 -0.53 -1.68 0.13 -1.90 -0.95 132.00 130.96 2a7o h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a7o h PRO 40 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a7o h PRO 40 CO 0.68 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 2a7o n ASP 41 N -2.63 3.41 -4.75 1.44 2.03 -1.26 -4.91 116.55 109.88 2a7o n ASP 41 Ca -0.01 -1.98 -0.41 0.00 0.52 0.00 0.00 54.79 52.91 2a7o n ASP 41 Cb 0.10 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7o n LYS 43 N 2.04 1.07 -3.90 0.00 5.02 -1.26 -4.67 118.16 116.46 2a7o n LYS 43 Ca 0.05 -0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 2a7o n LYS 43 Cb 0.41 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.89 2a7o n LYS 43 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a7o s VAL 44 N -2.70 1.14 -0.60 -0.18 0.11 -1.26 -3.98 120.40 112.93 2a7o s VAL 44 Ca -0.06 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2a7o s VAL 44 Cb 0.07 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 2a7o s VAL 44 CO 0.61 0.19 0.51 0.61 -3.33 0.00 0.00 175.10 173.68 2a7o n GLY 45 N 4.87 0.13 3.65 6.54 0.00 0.42 -4.86 105.19 115.94 2a7o n GLY 45 Ca -0.12 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -5.02 4.06 -0.22 1.61 3.52 0.16 -4.43 118.95 118.63 2a7o s ARG 46 Ca 0.11 1.72 -0.29 0.00 -0.13 0.00 0.00 55.73 57.13 2a7o s ARG 46 Cb -0.05 -3.90 -0.00 0.00 -1.56 0.00 0.00 34.95 29.44 2a7o s ARG 46 CO 0.35 -0.96 1.20 0.42 -0.81 0.00 0.00 175.30 175.50 2a7o s ILE 47 N 4.21 4.37 0.03 4.11 1.01 0.11 -0.01 121.20 135.02 2a7o s ILE 47 Ca 0.64 1.64 -0.21 0.00 0.00 0.00 0.00 60.65 62.71 2a7o s ILE 47 Cb -0.24 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 2a7o s ILE 47 CO 0.23 -0.24 1.22 0.71 0.00 0.00 0.00 174.94 176.86 2a7o h THR 48 N 5.59 0.00 -3.22 2.92 1.35 -1.88 -3.40 112.91 114.27 2a7o h THR 48 Ca -0.24 -0.07 -0.63 0.00 -0.55 0.00 0.00 66.41 64.93 2a7o h THR 48 Cb 1.09 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.32 2a7o h THR 48 CO 0.99 0.00 -0.81 -0.89 -0.25 0.00 0.00 175.52 174.56 2a7o s THR 49 N -4.51 2.23 0.29 6.82 2.01 -1.26 -5.01 115.64 116.21 2a7o s THR 49 Ca -0.11 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.87 2a7o s THR 49 Cb 0.01 -2.06 0.27 0.00 0.01 0.00 0.00 72.50 70.74 2a7o s THR 49 CO 0.34 -0.16 1.93 0.00 -0.69 0.00 0.00 174.62 176.04 2a7o h THR 50 N 3.22 1.14 -0.22 -0.82 1.03 -1.98 0.29 112.91 115.57 2a7o h THR 50 Ca -0.45 -0.38 -0.05 0.00 -0.01 0.00 0.00 66.41 65.51 2a7o h THR 50 Cb 1.21 -0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 2a7o h THR 50 CO 0.48 0.20 -0.09 -0.33 -0.01 0.00 0.00 175.52 175.78 2a7o h GLU 51 N 1.11 0.35 -0.10 0.00 4.39 -1.98 0.29 114.58 118.65 2a7o h GLU 51 Ca 0.36 -0.08 -0.21 0.00 0.34 0.00 0.00 59.36 59.78 2a7o h GLU 51 Cb 0.05 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2a7o h GLU 51 CO -0.12 0.45 -0.75 -0.44 -1.16 0.00 0.00 179.01 177.00 2a7o h ASP 52 N 0.33 0.83 -0.00 1.42 3.32 -1.59 -0.61 116.42 120.12 2a7o h ASP 52 Ca 0.07 -0.66 0.02 0.00 0.02 0.00 0.00 57.03 56.47 2a7o h ASP 52 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2a7o h ASP 52 CO 0.02 1.37 -0.10 0.15 -1.72 0.00 0.00 179.24 178.96 2a7o h PHE 53 N 0.36 -0.24 -0.70 4.55 3.04 0.14 0.89 116.94 124.99 2a7o h PHE 53 Ca -0.06 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.91 2a7o h PHE 53 Cb 1.39 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.98 2a7o h PHE 53 CO 0.10 -0.15 0.46 0.87 -2.02 0.00 0.00 178.31 177.57 2a7o h LYS 54 N -0.16 0.90 -0.24 1.11 1.57 -0.42 0.21 116.57 119.53 2a7o h LYS 54 Ca 0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 54 Cb 0.21 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2a7o h LYS 54 CO -0.10 0.60 0.06 1.25 -0.57 0.00 0.00 179.45 180.69 2a7o h HIS 55 N 0.93 0.41 -0.15 -1.35 2.76 -0.71 -1.27 115.15 115.77 2a7o h HIS 55 Ca 0.26 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2a7o h HIS 55 Cb -0.09 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.75 2a7o h HIS 55 CO -0.03 0.47 -0.06 1.25 -1.30 0.00 0.00 177.93 178.26 2a7o h LEU 56 N 0.22 0.32 -0.74 0.26 6.46 -0.59 -1.07 115.31 120.17 2a7o h LEU 56 Ca 0.08 -0.40 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 2a7o h LEU 56 Cb 0.27 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 2a7o h LEU 56 CO -0.00 0.64 0.41 0.00 -0.62 0.00 0.00 178.44 178.87 2a7o h ALA 57 N 0.69 1.02 -0.35 1.25 0.00 -0.47 0.14 119.26 121.54 2a7o h ALA 57 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2a7o h ALA 57 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2a7o h ALA 57 CO 0.02 0.06 -0.26 0.07 0.00 0.00 0.00 179.25 179.13 2a7o h ARG 58 N 0.72 0.80 -0.18 0.00 0.11 -1.17 -1.47 114.38 113.19 2a7o h ARG 58 Ca 0.35 -0.39 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2a7o h ARG 58 Cb 0.28 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2a7o h ARG 58 CO -0.22 1.02 0.08 -0.22 0.10 0.00 0.00 179.97 180.73 2a7o h LYS 59 N 0.58 0.17 -0.63 0.08 3.64 -0.28 -0.91 116.57 119.23 2a7o h LYS 59 Ca 0.07 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2a7o h LYS 59 Cb 0.83 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2a7o h LYS 59 CO 0.07 0.11 0.11 -0.07 -2.27 0.00 0.00 179.45 177.40 2a7o h LEU 60 N 0.18 1.00 -0.84 5.20 3.38 -0.65 0.15 115.31 123.72 2a7o h LEU 60 Ca 0.07 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2a7o h LEU 60 Cb 0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2a7o h LEU 60 CO -0.06 1.00 0.51 0.74 0.09 0.00 0.00 178.44 180.73 2a7o h THR 61 N 0.96 1.02 -0.01 0.22 2.02 -1.06 -0.33 112.91 115.73 2a7o h THR 61 Ca 0.19 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 2a7o h THR 61 Cb 0.42 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2a7o h THR 61 CO 0.01 0.17 -0.65 -0.74 0.37 0.00 0.00 175.52 174.68 2a7o h HIS 62 N 0.93 0.04 0.12 3.16 -0.00 0.03 -2.35 115.15 117.08 2a7o h HIS 62 Ca 0.37 -0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.43 2a7o h HIS 62 Cb 0.20 -0.01 0.03 0.00 -0.00 0.00 0.00 27.41 27.63 2a7o h HIS 62 CO -0.04 0.67 -1.25 0.78 -0.00 0.00 0.00 177.93 178.09 2a7o h GLY 63 N 1.89 0.66 1.09 5.26 0.00 0.18 -1.87 103.07 110.28 2a7o h GLY 63 Ca -0.01 -1.40 -0.05 0.00 0.00 0.00 0.00 47.33 45.87 2a7o h GLY 63 CO 0.09 1.23 0.29 -2.08 0.00 0.00 0.00 176.54 176.06 2a7o h VAL 64 N 0.25 1.26 -0.05 4.60 2.07 -1.07 -1.15 116.25 122.16 2a7o h VAL 64 Ca -0.18 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2a7o h VAL 64 Cb 1.92 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2a7o h VAL 64 CO 0.24 0.34 0.03 -0.03 0.02 0.00 0.00 177.57 178.16 2a7o h MET 65 N 1.12 0.07 -0.47 1.57 -1.53 -1.44 -0.48 114.93 113.76 2a7o h MET 65 Ca 0.25 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.44 2a7o h MET 65 Cb 0.24 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.26 2a7o h MET 65 CO -0.02 0.07 0.04 -0.91 0.14 0.00 0.00 176.91 176.23 2a7o h ASN 66 N 0.05 0.79 -0.48 1.39 2.35 -1.06 0.43 115.58 119.04 2a7o h ASN 66 Ca 0.02 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 2a7o h ASN 66 Cb 0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2a7o h ASN 66 CO -0.00 0.88 0.15 0.11 -1.65 0.00 0.00 177.43 176.92 2a7o h LYS 67 N 0.67 0.74 -0.03 0.81 1.57 -0.88 0.48 116.57 119.94 2a7o h LYS 67 Ca 0.14 -0.16 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2a7o h LYS 67 Cb 0.45 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2a7o h LYS 67 CO 0.02 0.70 -0.94 1.05 -0.57 0.00 0.00 179.45 179.71 2a7o h GLU 68 N 0.64 0.56 0.00 3.15 4.11 -1.01 -0.94 114.58 121.08 2a7o h GLU 68 Ca 0.15 -0.57 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 2a7o h GLU 68 Cb 0.26 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2a7o h GLU 68 CO -0.01 1.19 -0.01 -0.07 0.07 0.00 0.00 179.01 180.18 2a7o h LEU 69 N 0.33 0.00 0.00 3.06 3.38 -0.74 0.75 115.31 122.09 2a7o h LEU 69 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2a7o h LEU 69 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2a7o h LEU 69 CO 0.17 0.01 -0.90 0.07 0.09 0.00 0.00 178.44 177.89 2a7o h LYS 70 N 0.00 0.00 0.01 1.13 2.10 -0.44 -1.52 116.57 117.85 2a7o h LYS 70 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2a7o h LYS 70 Cb 0.03 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.30 2a7o h LYS 70 CO 0.00 0.19 -1.99 0.66 -2.00 0.00 0.00 179.45 176.32 2a7o n TYR 71 N -2.92 0.65 0.01 0.07 4.02 -0.40 -4.39 117.16 114.21 2a7o n TYR 71 Ca -0.02 0.22 -0.17 0.00 -0.01 0.00 0.00 57.90 57.92 2a7o n TYR 71 Cb 0.68 -1.12 -0.14 0.00 -0.02 0.00 0.00 39.34 38.74 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a7o n LYS 73 N -3.36 0.00 -3.70 0.00 4.01 -0.57 -4.85 118.16 109.68 2a7o n LYS 73 Ca -0.24 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.20 2a7o n LYS 73 Cb 1.05 -0.16 -0.10 0.00 -0.51 0.00 0.00 35.03 35.31 2a7o n LYS 73 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2a7o s ASN 74 N 0.00 6.02 0.00 4.39 2.20 -1.26 -4.95 114.94 121.34 2a7o s ASN 74 Ca 0.00 0.10 0.19 0.00 -0.94 0.00 0.00 52.86 52.21 2a7o s ASN 74 Cb 0.00 -2.08 1.12 0.00 -2.00 0.00 0.00 41.25 38.29 2a7o s ASN 74 CO 0.00 0.08 1.53 -0.81 -2.94 0.00 0.00 177.10 174.96 2a7o n PRO 75 N 4.20 0.64 0.00 3.55 -0.04 -1.26 -2.47 135.00 139.61 2a7o n PRO 75 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 2a7o n PRO 75 Cb 0.52 -1.46 0.44 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.96 0.31 0.00 0.54 2.13 -1.26 -1.20 120.64 120.19 2a7o n GLU 76 Ca 0.14 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2a7o n GLU 76 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.22 1.14 -4.49 4.31 2.03 -1.03 -4.91 116.55 112.37 2a7o n ASP 77 Ca 0.09 -1.22 -0.42 0.00 0.52 0.00 0.00 54.79 53.76 2a7o n ASP 77 Cb 0.11 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.22 4.08 0.00 -2.67 2.96 -0.34 -4.91 118.68 117.58 2a7o s LEU 78 Ca 0.00 -1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 52.78 2a7o s LEU 78 Cb 0.00 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 2a7o s LEU 78 CO 0.00 -1.49 0.05 -0.70 -1.32 0.00 0.00 176.35 172.90 2a7o s GLU 79 N 4.37 0.29 -1.39 1.98 2.56 -1.26 -4.70 118.70 120.55 2a7o s GLU 79 Ca 0.30 -0.33 -0.11 0.00 0.00 0.00 0.00 54.97 54.84 2a7o s GLU 79 Cb -0.10 0.12 0.09 0.00 2.00 0.00 0.00 34.13 36.23 2a7o s GLU 79 CO 0.05 -0.06 2.16 0.00 -0.56 0.00 0.00 175.26 176.85 2a7o n ASN 81 N 4.51 1.71 -0.10 0.00 0.23 -1.26 -4.78 115.26 115.57 2a7o n ASN 81 Ca 0.50 -2.31 -0.08 0.00 -0.53 0.00 0.00 54.58 52.16 2a7o n ASN 81 Cb 0.35 -0.50 -0.02 0.00 -2.08 0.00 0.00 39.78 37.53 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 -0.27 -0.23 -3.83 3.07 -1.98 0.71 114.58 112.05 2a7o h GLU 82 Ca -0.28 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.65 2a7o h GLU 82 Cb 1.18 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 2a7o h GLU 82 CO 0.36 -0.18 -0.11 -0.91 -1.40 0.00 0.00 179.01 176.77 2a7o h ASN 83 N -0.28 -0.36 -0.45 1.42 2.35 -1.95 0.22 115.58 116.54 2a7o h ASN 83 Ca 0.16 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2a7o h ASN 83 Cb 0.54 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2a7o h ASN 83 CO -0.50 -0.14 0.25 0.58 -1.65 0.00 0.00 177.43 175.97 2a7o h VAL 84 N -0.08 1.16 -0.41 2.81 2.07 -1.54 -0.55 116.25 119.71 2a7o h VAL 84 Ca 0.12 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2a7o h VAL 84 Cb 0.26 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2a7o h VAL 84 CO -0.28 0.16 0.14 0.11 0.02 0.00 0.00 177.57 177.72 2a7o h LYS 85 N 0.59 0.29 -0.04 1.57 1.57 0.86 0.99 116.57 122.39 2a7o h LYS 85 Ca 0.16 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2a7o h LYS 85 Cb 0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2a7o h LYS 85 CO -0.03 0.19 -0.21 1.25 -0.57 0.00 0.00 179.45 180.08 2a7o h HIS 86 N 0.30 -0.57 -0.30 -1.35 2.76 -0.03 0.13 115.15 116.10 2a7o h HIS 86 Ca 0.19 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2a7o h HIS 86 Cb 0.19 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 2a7o h HIS 86 CO -0.16 -0.30 0.13 -0.22 -1.30 0.00 0.00 177.93 176.09 2a7o h LYS 87 N -0.32 0.40 0.25 5.26 3.64 -0.50 -1.53 116.57 123.78 2a7o h LYS 87 Ca 0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2a7o h LYS 87 Cb 0.42 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2a7o h LYS 87 CO -0.23 0.33 -0.12 1.15 -2.27 0.00 0.00 179.45 178.31 2a7o h THR 88 N 0.41 0.00 -0.17 1.00 2.02 0.50 0.21 112.91 116.89 2a7o h THR 88 Ca 0.10 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2a7o h THR 88 Cb 0.06 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2a7o h THR 88 CO -0.01 0.00 -0.07 0.07 0.37 0.00 0.00 175.52 175.87 2a7o h LYS 89 N -1.07 0.25 -0.55 6.66 5.09 -0.74 0.43 116.57 126.64 2a7o h LYS 89 Ca -0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 60.65 60.59 2a7o h LYS 89 Cb 0.26 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.53 2a7o h LYS 89 CO 0.06 0.34 0.07 0.93 -2.09 0.00 0.00 179.45 178.76 2a7o h GLU 90 N 0.24 0.92 -0.14 0.07 4.39 -1.32 -1.34 114.58 117.39 2a7o h GLU 90 Ca 0.05 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2a7o h GLU 90 Cb 0.29 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2a7o h GLU 90 CO 0.01 0.90 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.81 2a7o h TYR 91 N 0.80 0.31 -0.13 4.33 3.20 0.66 -1.64 116.97 124.50 2a7o h TYR 91 Ca 0.16 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2a7o h TYR 91 Cb 0.43 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 2a7o h TYR 91 CO 0.03 0.56 -0.37 0.82 -1.64 0.00 0.00 178.16 177.57 2a7o h ILE 92 N -0.03 0.22 -0.14 1.81 1.08 -0.17 0.46 117.51 120.73 2a7o h ILE 92 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 2a7o h ILE 92 Cb 0.46 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 2a7o h ILE 92 CO 0.01 0.00 -0.05 0.11 -0.69 0.00 0.00 178.15 177.53 2a7o h LYS 93 N -0.44 -0.03 -0.04 2.37 1.57 -1.17 0.14 116.57 118.98 2a7o h LYS 93 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2a7o h LYS 93 Cb 0.59 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2a7o h LYS 93 CO -0.38 -0.02 -0.30 -0.22 -0.57 0.00 0.00 179.45 177.96 2a7o h LYS 94 N -0.03 0.06 0.06 3.15 3.64 -0.76 -0.94 116.57 121.76 2a7o h LYS 94 Ca 0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2a7o h LYS 94 Cb 0.14 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2a7o h LYS 94 CO -0.17 0.36 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.43 2a7o h TYR 95 N 0.06 -0.07 0.00 1.91 3.20 0.64 -3.11 116.97 119.60 2a7o h TYR 95 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2a7o h TYR 95 Cb 0.57 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2a7o h TYR 95 CO 0.00 0.32 -0.06 0.52 -1.64 0.00 0.00 178.16 177.30 2a7o h MET 96 N -0.48 0.00 0.00 1.82 2.86 0.40 -0.96 114.93 118.58 2a7o h MET 96 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2a7o h MET 96 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2a7o h MET 96 CO 0.01 0.06 -0.02 1.96 1.06 0.00 0.00 176.91 179.98 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.14 -2.08 115.11 114.69 2a7o h GLN 97 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2a7o h GLN 97 Cb 0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2a7o h GLN 97 CO 0.01 0.02 -0.08 1.57 -0.95 0.00 0.00 178.83 179.40 2a7o h LYS 98 N 0.00 0.00 0.04 1.46 2.10 -1.26 -3.22 116.57 115.68 2a7o h LYS 98 Ca -0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 2a7o h LYS 98 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2a7o h LYS 98 CO 0.00 0.08 -1.01 0.74 -2.00 0.00 0.00 179.45 177.26 2a7o h PHE 99 N 0.00 0.49 0.00 0.07 0.04 -1.52 -3.49 116.94 112.53 2a7o h PHE 99 Ca -0.00 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2a7o h PHE 99 Cb 0.99 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2a7o h PHE 99 CO 0.00 1.14 0.00 0.41 -0.60 0.00 0.00 178.31 179.26 2a7o n GLY 100 N 1.09 0.85 0.11 -1.45 0.00 -1.22 -4.37 105.19 100.19 2a7o n GLY 100 Ca -0.06 -1.21 -0.19 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 0.01 -3.31 4.61 0.00 -1.92 0.12 119.26 118.77 2a7o h ALA 101 Ca 0.00 -0.76 -0.66 0.00 0.00 0.00 0.00 54.91 53.49 2a7o h ALA 101 Cb 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 17.80 2a7o h ALA 101 CO 0.00 0.40 -0.82 0.08 0.00 0.00 0.00 179.25 178.91 2a7o s VAL 102 N -2.38 2.47 -0.70 0.00 1.01 -1.26 -0.66 120.40 118.88 2a7o s VAL 102 Ca -0.17 -1.91 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 2a7o s VAL 102 Cb 0.01 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2a7o s VAL 102 CO 0.77 -0.07 1.24 -0.47 0.00 0.00 0.00 175.10 176.57 2a7o s TYR 103 N -1.55 2.38 -0.63 5.22 5.04 0.98 -4.55 117.35 124.24 2a7o s TYR 103 Ca 0.20 0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2a7o s TYR 103 Cb -0.08 -4.58 0.16 0.00 0.35 0.00 0.00 41.96 37.81 2a7o s TYR 103 CO 0.10 -1.93 0.43 0.15 -1.34 0.00 0.00 175.55 172.96 2a7o s LYS 104 N 5.44 2.47 0.50 4.97 1.02 -1.26 -4.60 119.74 128.28 2a7o s LYS 104 Ca 0.36 -2.71 0.18 0.00 0.02 0.00 0.00 55.97 53.81 2a7o s LYS 104 Cb -0.08 -3.61 1.25 0.00 -0.52 0.00 0.00 37.83 34.87 2a7o s LYS 104 CO 0.17 -1.17 2.10 -1.00 -0.92 0.00 0.00 175.35 174.53 2a7o h PRO 105 N 6.62 0.00 0.00 -1.68 0.13 -1.99 -0.99 132.00 134.09 2a7o h PRO 105 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2a7o h PRO 105 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2a7o h PRO 105 CO 0.72 0.07 0.03 0.36 -0.23 0.00 0.00 178.00 178.95 2a7o n LYS 106 N -4.32 0.02 -1.09 0.86 2.85 -1.26 -0.76 118.16 114.45 2a7o n LYS 106 Ca -0.03 0.50 0.04 0.00 -1.05 0.00 0.00 58.31 57.78 2a7o n LYS 106 Cb 0.15 -1.60 0.12 0.00 -0.65 0.00 0.00 35.03 33.05 2a7o n LYS 106 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2a7o n GLU 107 N -1.60 0.93 0.00 -1.58 1.02 -0.38 -5.08 120.64 113.95 2a7o n GLU 107 Ca -0.00 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 2a7o n GLU 107 Cb 0.03 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2a7o n GLU 107 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2a7o n ASP 108 N -0.37 -0.03 -0.38 1.62 5.75 0.06 -4.90 116.55 118.30 2a7o n ASP 108 Ca 0.14 -0.87 0.14 0.00 -0.01 0.00 0.00 54.79 54.19 2a7o n ASP 108 Cb 0.91 0.00 0.62 0.00 -1.03 0.00 0.00 41.12 41.61 2a7o n ASP 108 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16