#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 -0.04 3.42 7.64 -1.26 -1.16 113.62 122.22 2a7o n SER 11 Ca 0.00 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.60 2a7o n SER 11 Cb 0.00 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 2a7o n SER 11 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2a7o h SER 12 N 0.00 -0.01 0.50 6.43 0.87 -1.99 -3.13 113.55 116.23 2a7o h SER 12 Ca 0.00 -0.70 -0.30 0.00 -1.23 0.00 0.00 61.79 59.56 2a7o h SER 12 Cb 0.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2a7o h SER 12 CO 0.00 0.70 -1.35 1.05 -0.53 0.00 0.00 176.83 176.70 2a7o h GLU 13 N -0.72 0.36 -0.91 2.24 4.11 -1.91 -3.20 114.58 114.55 2a7o h GLU 13 Ca -0.00 -0.61 0.09 0.00 0.07 0.00 0.00 59.36 58.91 2a7o h GLU 13 Cb 0.71 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 2a7o h GLU 13 CO 0.00 1.28 0.59 1.25 0.07 0.00 0.00 179.01 182.20 2a7o h LEU 14 N 0.10 0.83 0.00 3.06 6.46 -1.29 -1.41 115.31 123.06 2a7o h LEU 14 Ca -0.18 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2a7o h LEU 14 Cb 2.04 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 2a7o h LEU 14 CO 0.22 0.49 -0.24 0.00 -0.62 0.00 0.00 178.44 178.30 2a7o h ALA 15 N 1.54 0.85 0.00 1.25 0.00 -1.58 -0.87 119.26 120.46 2a7o h ALA 15 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2a7o h ALA 15 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2a7o h ALA 15 CO -0.18 0.00 -0.33 0.87 0.00 0.00 0.00 179.25 179.61 2a7o h LYS 16 N 0.00 0.00 0.16 0.00 1.79 -1.25 0.28 116.57 117.55 2a7o h LYS 16 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 2a7o h LYS 16 Cb 0.81 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.48 2a7o h LYS 16 CO 0.00 0.33 -1.15 0.87 -1.08 0.00 0.00 179.45 178.43 2a7o h LYS 17 N 0.00 0.34 -0.19 3.15 6.56 -1.43 -3.37 116.57 121.63 2a7o h LYS 17 Ca -0.00 -0.58 -0.02 0.00 -1.06 0.00 0.00 60.65 58.99 2a7o h LYS 17 Cb 0.61 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 2a7o h LYS 17 CO 0.04 1.28 0.03 0.77 -2.06 0.00 0.00 179.45 179.51 2a7o h SER 18 N -0.23 0.24 0.13 0.86 0.02 -0.39 -0.88 113.55 113.30 2a7o h SER 18 Ca -0.22 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2a7o h SER 18 Cb 1.80 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 2a7o h SER 18 CO 0.15 0.27 -0.27 0.11 -1.14 0.00 0.00 176.83 175.95 2a7o h LYS 19 N 0.27 0.23 -0.02 3.45 1.57 -0.63 0.56 116.57 122.01 2a7o h LYS 19 Ca 0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2a7o h LYS 19 Cb 0.13 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.43 2a7o h LYS 19 CO -0.00 0.49 -0.40 0.93 -0.57 0.00 0.00 179.45 179.90 2a7o h GLU 20 N 0.21 0.30 -0.74 3.15 4.39 -1.37 0.32 114.58 120.85 2a7o h GLU 20 Ca 0.03 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2a7o h GLU 20 Cb 0.59 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2a7o h GLU 20 CO 0.04 0.99 0.47 0.28 -1.16 0.00 0.00 179.01 179.63 2a7o h VAL 21 N -0.27 1.20 0.29 3.13 2.07 -1.04 0.64 116.25 122.27 2a7o h VAL 21 Ca -0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2a7o h VAL 21 Cb 1.11 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2a7o h VAL 21 CO 0.08 0.20 -0.14 0.15 0.02 0.00 0.00 177.57 177.89 2a7o h PHE 22 N 1.01 -0.36 -0.01 1.57 3.57 0.21 -1.06 116.94 121.86 2a7o h PHE 22 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2a7o h PHE 22 Cb -0.07 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2a7o h PHE 22 CO -0.01 -0.04 0.01 0.07 -2.23 0.00 0.00 178.31 176.10 2a7o h ARG 23 N -0.69 0.00 -0.09 1.11 -0.00 -0.18 0.11 114.38 114.64 2a7o h ARG 23 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.88 2a7o h ARG 23 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2a7o h ARG 23 CO 0.06 0.00 -0.19 -0.22 -0.00 0.00 0.00 179.97 179.63 2a7o h LYS 24 N 0.00 0.28 0.18 0.08 1.63 -0.48 0.16 116.57 118.42 2a7o h LYS 24 Ca 0.01 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2a7o h LYS 24 Cb 0.02 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2a7o h LYS 24 CO -0.00 0.78 -0.09 0.93 -3.45 0.00 0.00 179.45 177.62 2a7o h GLU 25 N -0.19 -0.24 -0.85 1.90 4.39 -0.28 -0.70 114.58 118.62 2a7o h GLU 25 Ca 0.00 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2a7o h GLU 25 Cb 0.78 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 2a7o h GLU 25 CO 0.04 -0.12 0.40 1.98 -1.16 0.00 0.00 179.01 180.15 2a7o h MET 26 N -0.29 1.23 -0.76 2.33 4.05 -0.84 0.28 114.93 120.92 2a7o h MET 26 Ca -0.03 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 2a7o h MET 26 Cb 0.23 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 2a7o h MET 26 CO 0.04 0.95 0.36 0.77 0.23 0.00 0.00 176.91 179.26 2a7o h SER 27 N 1.21 1.00 0.09 1.39 0.02 -0.37 0.38 113.55 117.29 2a7o h SER 27 Ca 0.29 -0.14 -0.24 0.00 -0.84 0.00 0.00 61.79 60.87 2a7o h SER 27 Cb 0.13 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.42 2a7o h SER 27 CO -0.03 0.86 -0.92 0.06 -1.14 0.00 0.00 176.83 175.65 2a7o h GLN 28 N 1.08 0.61 0.10 3.45 3.07 -0.44 0.32 115.11 123.29 2a7o h GLN 28 Ca 0.26 -0.60 -0.00 0.00 0.09 0.00 0.00 58.65 58.40 2a7o h GLN 28 Cb 0.13 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.84 2a7o h GLN 28 CO -0.03 1.21 -0.05 0.35 0.09 0.00 0.00 178.83 180.40 2a7o h PHE 29 N 0.37 -0.12 -0.33 0.06 3.57 -0.27 -0.15 116.94 120.07 2a7o h PHE 29 Ca -0.09 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2a7o h PHE 29 Cb 1.56 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 2a7o h PHE 29 CO 0.08 -0.05 0.07 0.82 -2.23 0.00 0.00 178.31 177.00 2a7o h ILE 30 N -0.15 1.23 -0.57 1.41 2.04 -0.08 0.13 117.51 121.51 2a7o h ILE 30 Ca -0.01 -0.77 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2a7o h ILE 30 Cb 0.12 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 2a7o h ILE 30 CO 0.02 0.26 0.06 0.58 0.00 0.00 0.00 178.15 179.07 2a7o h VAL 31 N 0.37 0.60 -0.70 1.67 2.07 -0.29 0.39 116.25 120.37 2a7o h VAL 31 Ca 0.10 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2a7o h VAL 31 Cb 0.32 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2a7o h VAL 31 CO 0.00 0.03 0.35 -0.61 0.02 0.00 0.00 177.57 177.37 2a7o h GLN 32 N 0.18 0.99 -0.58 1.57 5.75 -0.53 0.87 115.11 123.35 2a7o h GLN 32 Ca 0.30 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 2a7o h GLN 32 Cb 0.45 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2a7o h GLN 32 CO -0.43 0.77 0.23 0.00 -2.65 0.00 0.00 178.83 176.75 2a7o h LEU 34 N 0.83 0.00 -0.91 0.00 3.38 0.43 -3.36 115.31 115.69 2a7o h LEU 34 Ca 0.20 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.34 2a7o h LEU 34 Cb 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.75 2a7o h LEU 34 CO -0.02 0.03 -0.27 0.78 0.09 0.00 0.00 178.44 179.05 2a7o h ASN 35 N 0.00 -0.98 0.70 -0.43 -0.26 -0.29 0.97 115.58 115.29 2a7o h ASN 35 Ca -0.00 0.28 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 2a7o h ASN 35 Cb 1.02 0.60 0.00 0.00 -1.06 0.00 0.00 38.32 38.88 2a7o h ASN 35 CO 0.00 -0.30 0.00 1.55 -1.06 0.00 0.00 177.43 177.62 2a7o h PRO 36 N -0.01 0.00 0.00 0.81 0.13 -1.74 -2.83 132.00 128.36 2a7o h PRO 36 Ca 0.41 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.34 2a7o h PRO 36 Cb 0.65 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 2a7o h PRO 36 CO -0.93 0.00 -1.17 1.88 -0.23 0.00 0.00 178.00 177.55 2a7o h TYR 37 N 0.00 0.00 -0.03 1.56 -1.99 -1.07 -3.22 116.97 112.23 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 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2a7o h TYR 37 CO 0.00 0.77 0.00 2.89 -0.00 0.00 0.00 178.16 181.82 2a7o n ARG 38 N -3.13 1.38 -2.38 4.88 1.85 -0.70 0.40 116.66 118.96 2a7o n ARG 38 Ca -0.06 -0.55 -0.41 0.00 -1.00 0.00 0.00 57.85 55.83 2a7o n ARG 38 Cb 0.89 -1.46 -0.04 0.00 -1.05 0.00 0.00 32.46 30.81 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 -1.98 4.52 0.03 2.89 -0.14 -1.21 -4.73 119.74 119.11 2a7o s LYS 39 Ca 0.40 1.89 0.14 0.00 -1.36 0.00 0.00 55.97 57.03 2a7o s LYS 39 Cb 0.20 -3.21 0.59 0.00 -1.68 0.00 0.00 37.83 33.73 2a7o s LYS 39 CO 0.33 -0.02 1.44 -0.35 -0.76 0.00 0.00 175.35 175.99 2a7o n PRO 40 N 2.02 0.02 -0.12 -1.68 -0.04 -1.26 -1.24 135.00 132.70 2a7o n PRO 40 Ca 0.03 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2a7o n PRO 40 Cb 0.44 -1.54 0.16 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.58 3.09 -4.68 3.54 5.75 -1.26 -5.00 116.55 116.41 2a7o n ASP 41 Ca 0.03 -1.91 -0.43 0.00 -0.01 0.00 0.00 54.79 52.46 2a7o n ASP 41 Cb 0.15 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 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 3.08 0.14 -3.63 0.00 1.79 -1.88 -3.44 116.57 112.63 2a7o h LYS 43 Ca -0.45 -0.19 -0.31 0.00 -2.18 0.00 0.00 60.65 57.52 2a7o h LYS 43 Cb 1.28 0.06 -0.33 0.00 -1.58 0.00 0.00 32.23 31.66 2a7o h LYS 43 CO 0.67 1.00 -0.73 0.08 -1.08 0.00 0.00 179.45 179.39 2a7o s VAL 44 N -2.72 0.03 -0.52 0.50 1.01 -1.26 -4.59 120.40 112.86 2a7o s VAL 44 Ca -0.16 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2a7o s VAL 44 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2a7o s VAL 44 CO 0.74 0.10 0.44 0.61 0.00 0.00 0.00 175.10 176.99 2a7o n GLY 45 N 4.00 0.19 3.64 4.51 0.00 0.90 -4.85 105.19 113.58 2a7o n GLY 45 Ca -0.25 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.89 4.03 -0.09 1.61 3.52 0.17 -4.37 118.95 118.92 2a7o s ARG 46 Ca 0.08 1.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.88 2a7o s ARG 46 Cb -0.04 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.46 2a7o s ARG 46 CO 0.30 -0.98 1.28 0.42 -0.81 0.00 0.00 175.30 175.51 2a7o s ILE 47 N 4.15 4.14 0.01 4.11 1.01 0.16 0.12 121.20 134.91 2a7o s ILE 47 Ca 0.58 1.44 -0.14 0.00 0.00 0.00 0.00 60.65 62.54 2a7o s ILE 47 Cb -0.20 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 2a7o s ILE 47 CO 0.21 -0.06 0.98 0.71 0.00 0.00 0.00 174.94 176.78 2a7o h THR 48 N 5.22 0.00 -3.37 2.92 1.35 -1.89 -3.42 112.91 113.72 2a7o h THR 48 Ca -0.32 -0.11 -0.66 0.00 -0.55 0.00 0.00 66.41 64.78 2a7o h THR 48 Cb 1.14 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 67.39 2a7o h THR 48 CO 0.92 0.00 -0.79 -0.89 -0.25 0.00 0.00 175.52 174.52 2a7o s THR 49 N -3.68 2.77 0.26 6.82 2.01 -1.26 -5.00 115.64 117.56 2a7o s THR 49 Ca -0.07 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.18 2a7o s THR 49 Cb 0.01 -2.32 0.26 0.00 0.01 0.00 0.00 72.50 70.46 2a7o s THR 49 CO 0.22 -0.02 1.89 0.00 -0.69 0.00 0.00 174.62 176.01 2a7o h THR 50 N 3.23 1.13 -0.73 -0.82 1.03 -1.98 0.20 112.91 114.97 2a7o h THR 50 Ca -0.48 -0.41 -0.01 0.00 -0.01 0.00 0.00 66.41 65.50 2a7o h THR 50 Cb 1.19 -0.19 -0.04 0.00 -1.07 0.00 0.00 68.15 68.05 2a7o h THR 50 CO 0.48 0.22 0.42 -0.33 -0.01 0.00 0.00 175.52 176.31 2a7o h GLU 51 N 1.21 0.99 -0.30 0.00 5.08 -1.98 0.15 114.58 119.73 2a7o h GLU 51 Ca 0.41 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.50 2a7o h GLU 51 Cb 0.09 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2a7o h GLU 51 CO -0.15 0.71 -0.53 -0.44 -1.00 0.00 0.00 179.01 177.60 2a7o h ASP 52 N 1.01 0.97 -0.02 1.42 3.32 -1.66 0.13 116.42 121.59 2a7o h ASP 52 Ca 0.26 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2a7o h ASP 52 Cb -0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2a7o h ASP 52 CO -0.05 1.31 -0.10 0.15 -1.72 0.00 0.00 179.24 178.83 2a7o h PHE 53 N 0.68 -0.26 -0.70 4.55 3.04 0.07 -0.80 116.94 123.53 2a7o h PHE 53 Ca 0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2a7o h PHE 53 Cb 1.13 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.73 2a7o h PHE 53 CO 0.07 -0.16 0.41 0.87 -2.02 0.00 0.00 178.31 177.48 2a7o h LYS 54 N -0.17 0.96 -0.38 1.11 1.57 -0.56 0.12 116.57 119.22 2a7o h LYS 54 Ca 0.05 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2a7o h LYS 54 Cb 0.23 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2a7o h LYS 54 CO -0.12 0.69 0.13 1.25 -0.57 0.00 0.00 179.45 180.83 2a7o h HIS 55 N 0.95 0.60 -0.24 -1.35 2.76 -0.73 -1.05 115.15 116.10 2a7o h HIS 55 Ca 0.25 -0.06 -0.20 0.00 -2.20 0.00 0.00 60.37 58.17 2a7o h HIS 55 Cb -0.01 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.78 2a7o h HIS 55 CO -0.01 0.57 -0.61 1.25 -1.30 0.00 0.00 177.93 177.82 2a7o h LEU 56 N 0.46 0.95 -1.19 0.26 5.85 -0.93 -1.45 115.31 119.26 2a7o h LEU 56 Ca 0.12 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.39 2a7o h LEU 56 Cb 0.24 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2a7o h LEU 56 CO -0.01 1.35 0.58 0.00 -0.34 0.00 0.00 178.44 180.03 2a7o h ALA 57 N 0.63 1.66 0.55 1.25 0.00 -0.53 0.13 119.26 122.95 2a7o h ALA 57 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2a7o h ALA 57 Cb 1.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2a7o h ALA 57 CO 0.13 0.13 -0.34 0.00 0.00 0.00 0.00 179.25 179.17 2a7o h ARG 58 N 0.86 -0.81 -0.61 0.00 2.47 -0.89 -1.50 114.38 113.89 2a7o h ARG 58 Ca 0.43 0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 2a7o h ARG 58 Cb 0.49 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.96 2a7o h ARG 58 CO -0.20 -0.54 0.35 -0.22 0.56 0.00 0.00 179.97 179.92 2a7o h LYS 59 N -0.85 0.84 -0.35 0.04 3.64 -0.10 -1.33 116.57 118.47 2a7o h LYS 59 Ca -0.06 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 2a7o h LYS 59 Cb 0.69 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2a7o h LYS 59 CO 0.06 0.63 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.67 2a7o h LEU 60 N 0.83 0.71 -1.09 5.20 3.38 -0.80 0.12 115.31 123.67 2a7o h LEU 60 Ca 0.22 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2a7o h LEU 60 Cb 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2a7o h LEU 60 CO -0.04 0.94 0.61 0.74 0.09 0.00 0.00 178.44 180.79 2a7o h THR 61 N 0.48 1.19 0.02 0.22 2.02 -1.01 -2.23 112.91 113.60 2a7o h THR 61 Ca 0.08 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 66.64 2a7o h THR 61 Cb 0.65 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2a7o h THR 61 CO 0.04 0.22 -0.94 -0.74 0.37 0.00 0.00 175.52 174.48 2a7o h HIS 62 N 1.21 0.35 -0.25 3.16 -0.00 -0.83 -2.99 115.15 115.80 2a7o h HIS 62 Ca 0.36 -0.20 -0.19 0.00 -0.00 0.00 0.00 60.37 60.34 2a7o h HIS 62 Cb -0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2a7o h HIS 62 CO -0.00 1.04 -0.59 0.78 -0.00 0.00 0.00 177.93 179.16 2a7o h GLY 63 N 1.79 0.90 1.40 5.26 0.00 -0.28 -0.71 103.07 111.41 2a7o h GLY 63 Ca -0.06 -1.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.12 2a7o h GLY 63 CO 0.15 0.97 -0.01 -2.08 0.00 0.00 0.00 176.54 175.57 2a7o h VAL 64 N 0.62 1.24 -0.26 4.60 2.07 -1.49 -0.81 116.25 122.21 2a7o h VAL 64 Ca 0.00 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2a7o h VAL 64 Cb 1.19 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2a7o h VAL 64 CO 0.13 0.34 0.12 -0.03 0.02 0.00 0.00 177.57 178.15 2a7o h MET 65 N 0.69 0.38 -0.30 1.57 -1.53 -1.36 -0.27 114.93 114.12 2a7o h MET 65 Ca 0.14 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2a7o h MET 65 Cb 0.44 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2a7o h MET 65 CO 0.02 0.38 0.17 -0.91 0.14 0.00 0.00 176.91 176.71 2a7o h ASN 66 N 0.28 0.37 -0.51 1.39 2.35 -0.70 0.11 115.58 118.88 2a7o h ASN 66 Ca 0.09 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2a7o h ASN 66 Cb 0.13 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2a7o h ASN 66 CO -0.01 0.35 0.34 0.11 -1.65 0.00 0.00 177.43 176.56 2a7o h LYS 67 N 0.37 0.66 -0.03 0.81 6.56 -0.73 0.13 116.57 124.35 2a7o h LYS 67 Ca 0.11 -0.04 -0.26 0.00 -1.06 0.00 0.00 60.65 59.40 2a7o h LYS 67 Cb 0.05 -0.15 0.02 0.00 -0.57 0.00 0.00 32.23 31.58 2a7o h LYS 67 CO -0.02 0.44 -0.99 1.05 -2.06 0.00 0.00 179.45 177.87 2a7o h GLU 68 N 0.68 0.70 -0.61 3.15 4.11 -0.95 -0.85 114.58 120.81 2a7o h GLU 68 Ca 0.19 -0.72 0.13 0.00 0.07 0.00 0.00 59.36 59.04 2a7o h GLU 68 Cb -0.06 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2a7o h GLU 68 CO -0.05 1.30 0.42 -0.07 0.07 0.00 0.00 179.01 180.68 2a7o h LEU 69 N 0.41 0.22 0.00 3.06 -0.00 -0.51 0.68 115.31 119.18 2a7o h LEU 69 Ca -0.11 0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.55 2a7o h LEU 69 Cb 1.64 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 42.23 2a7o h LEU 69 CO 0.19 0.12 -1.23 0.07 -0.00 0.00 0.00 178.44 177.60 2a7o h LYS 70 N 0.24 0.00 0.04 1.13 2.10 -0.70 -0.87 116.57 118.52 2a7o h LYS 70 Ca 0.29 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.63 2a7o h LYS 70 Cb 0.81 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.10 2a7o h LYS 70 CO -0.06 0.70 -1.79 1.88 -2.00 0.00 0.00 179.45 178.18 2a7o h TYR 71 N 0.00 0.16 0.16 0.07 0.05 -0.19 -3.36 116.97 113.86 2a7o h TYR 71 Ca -0.12 -0.12 -0.30 0.00 0.05 0.00 0.00 58.73 58.24 2a7o h TYR 71 Cb 1.79 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 39.54 2a7o h TYR 71 CO 0.00 1.25 -1.47 0.00 -1.05 0.00 0.00 178.16 176.89 2a7o n LYS 73 N -3.80 0.00 -3.67 0.00 5.02 -0.33 -4.83 118.16 110.55 2a7o n LYS 73 Ca -0.23 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.71 2a7o n LYS 73 Cb 0.98 -0.10 -0.09 0.00 -0.02 0.00 0.00 35.03 35.80 2a7o n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a7o s ASN 74 N 0.00 6.19 0.00 4.39 2.20 -1.26 -4.95 114.94 121.51 2a7o s ASN 74 Ca 0.00 0.20 0.12 0.00 -0.94 0.00 0.00 52.86 52.25 2a7o s ASN 74 Cb 0.00 -2.11 0.74 0.00 -2.00 0.00 0.00 41.25 37.88 2a7o s ASN 74 CO 0.00 0.11 1.25 -0.81 -2.94 0.00 0.00 177.10 174.71 2a7o n PRO 75 N 3.90 0.68 0.00 3.55 -0.04 -1.26 -2.43 135.00 139.40 2a7o n PRO 75 Ca -0.15 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.37 2a7o n PRO 75 Cb 0.52 -1.28 0.28 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.78 0.01 -0.00 0.54 2.13 -1.26 -1.43 120.64 119.84 2a7o n GLU 76 Ca 0.09 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2a7o n GLU 76 Cb 0.04 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 -1.49 1.36 -4.46 4.31 2.03 -1.02 -4.91 116.55 112.37 2a7o n ASP 77 Ca 0.03 -1.34 -0.43 0.00 0.52 0.00 0.00 54.79 53.56 2a7o n ASP 77 Cb 0.15 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.35 4.73 -0.07 -2.67 2.96 -0.51 -4.96 118.68 117.79 2a7o s LEU 78 Ca 0.01 -0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 2a7o s LEU 78 Cb 0.00 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.19 2a7o s LEU 78 CO 0.00 -1.02 0.46 -0.70 -1.32 0.00 0.00 176.35 173.77 2a7o s GLU 79 N 3.06 0.74 -1.33 1.98 2.56 -1.26 -4.83 118.70 119.61 2a7o s GLU 79 Ca 0.19 0.19 -0.14 0.00 0.00 0.00 0.00 54.97 55.21 2a7o s GLU 79 Cb -0.18 0.34 0.10 0.00 2.00 0.00 0.00 34.13 36.40 2a7o s GLU 79 CO 0.13 -0.19 1.89 0.00 -0.56 0.00 0.00 175.26 176.54 2a7o n ASN 81 N 5.94 0.00 0.15 0.00 0.23 -1.26 -4.82 115.26 115.50 2a7o n ASN 81 Ca 0.46 -0.89 -0.14 0.00 -0.53 0.00 0.00 54.58 53.48 2a7o n ASN 81 Cb 0.40 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 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 -0.51 -0.35 -3.83 5.08 -1.98 0.34 114.58 113.33 2a7o h GLU 82 Ca 0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2a7o h GLU 82 Cb 0.00 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 2a7o h GLU 82 CO 0.00 -0.34 -0.21 -0.91 -1.00 0.00 0.00 179.01 176.55 2a7o h ASN 83 N -0.53 -0.70 -0.12 1.42 2.35 -1.95 0.16 115.58 116.20 2a7o h ASN 83 Ca 0.01 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2a7o h ASN 83 Cb 0.52 0.36 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2a7o h ASN 83 CO -0.10 -0.24 0.06 0.58 -1.65 0.00 0.00 177.43 176.07 2a7o h VAL 84 N -0.16 1.12 -0.49 2.81 2.07 -1.69 -1.03 116.25 118.88 2a7o h VAL 84 Ca 0.17 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2a7o h VAL 84 Cb 0.43 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 2a7o h VAL 84 CO -0.44 0.11 0.17 0.11 0.02 0.00 0.00 177.57 177.53 2a7o h LYS 85 N 0.06 0.33 -0.25 1.57 1.57 0.11 0.11 116.57 120.07 2a7o h LYS 85 Ca 0.04 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2a7o h LYS 85 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2a7o h LYS 85 CO -0.00 0.22 0.04 1.25 -0.57 0.00 0.00 179.45 180.38 2a7o h HIS 86 N 0.33 0.07 -0.78 -1.35 2.76 -0.34 0.66 115.15 116.50 2a7o h HIS 86 Ca 0.24 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2a7o h HIS 86 Cb 0.26 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 2a7o h HIS 86 CO -0.17 0.01 0.48 0.87 -1.30 0.00 0.00 177.93 177.82 2a7o h LYS 87 N 0.13 0.87 0.31 5.26 1.57 -0.18 -1.76 116.57 122.78 2a7o h LYS 87 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2a7o h LYS 87 Cb 0.12 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2a7o h LYS 87 CO -0.16 0.58 -0.15 1.15 -0.57 0.00 0.00 179.45 180.30 2a7o h THR 88 N 0.90 0.00 -0.49 -0.16 2.02 0.20 0.13 112.91 115.51 2a7o h THR 88 Ca 0.33 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2a7o h THR 88 Cb 0.12 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2a7o h THR 88 CO -0.15 0.00 0.23 0.07 0.37 0.00 0.00 175.52 176.04 2a7o h LYS 89 N -1.07 0.69 -0.08 6.66 5.09 -0.93 0.31 116.57 127.24 2a7o h LYS 89 Ca -0.04 -0.08 -0.13 0.00 0.09 0.00 0.00 60.65 60.48 2a7o h LYS 89 Cb 0.32 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 2a7o h LYS 89 CO 0.07 0.54 -0.54 0.93 -2.09 0.00 0.00 179.45 178.36 2a7o h GLU 90 N 0.69 0.24 -0.15 0.07 4.39 -1.34 -0.51 114.58 117.98 2a7o h GLU 90 Ca 0.17 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2a7o h GLU 90 Cb 0.09 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2a7o h GLU 90 CO -0.02 0.73 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.61 2a7o h TYR 91 N 0.19 0.30 -0.41 4.33 3.20 0.54 -1.60 116.97 123.52 2a7o h TYR 91 Ca 0.00 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 91 Cb 1.02 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 2a7o h TYR 91 CO 0.02 0.53 -0.12 0.82 -1.64 0.00 0.00 178.16 177.77 2a7o h ILE 92 N -0.01 0.56 0.04 1.81 1.08 -0.25 0.42 117.51 121.15 2a7o h ILE 92 Ca 0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 2a7o h ILE 92 Cb 0.42 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2a7o h ILE 92 CO 0.01 0.00 -0.52 0.11 -0.69 0.00 0.00 178.15 177.06 2a7o h LYS 93 N -0.02 -0.66 -0.19 2.37 1.79 -0.82 0.95 116.57 119.99 2a7o h LYS 93 Ca 0.20 0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.63 2a7o h LYS 93 Cb 0.32 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2a7o h LYS 93 CO -0.44 -0.44 -0.27 0.87 -1.08 0.00 0.00 179.45 178.09 2a7o h LYS 94 N -0.69 0.36 0.08 3.15 1.57 -0.72 -1.15 116.57 119.17 2a7o h LYS 94 Ca 0.01 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2a7o h LYS 94 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2a7o h LYS 94 CO -0.33 0.61 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.20 2a7o h TYR 95 N 0.32 -0.10 0.00 -1.35 3.20 0.32 -2.78 116.97 116.58 2a7o h TYR 95 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2a7o h TYR 95 Cb 0.66 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2a7o h TYR 95 CO 0.02 0.16 0.00 0.52 -1.64 0.00 0.00 178.16 177.22 2a7o h MET 96 N -0.36 0.00 0.00 1.82 2.86 0.06 -1.22 114.93 118.09 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 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2a7o h MET 96 CO 0.02 0.00 0.00 1.96 1.06 0.00 0.00 176.91 179.95 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -0.95 -2.40 115.11 114.56 2a7o h GLN 97 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2a7o h GLN 97 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2a7o h GLN 97 CO 0.00 0.00 -0.22 1.57 -0.95 0.00 0.00 178.83 179.23 2a7o h LYS 98 N 0.00 0.00 -0.10 1.46 2.10 -1.22 -3.25 116.57 115.56 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 0.32 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2a7o h LYS 98 CO 0.00 0.22 -0.86 0.74 -2.00 0.00 0.00 179.45 177.55 2a7o h PHE 99 N 0.00 1.00 0.00 0.07 0.04 -1.57 -3.50 116.94 112.99 2a7o h PHE 99 Ca -0.00 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2a7o h PHE 99 Cb 1.08 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2a7o h PHE 99 CO 0.00 1.30 0.00 0.41 -0.60 0.00 0.00 178.31 179.42 2a7o n GLY 100 N 0.81 0.52 0.16 -1.45 0.00 -1.23 -4.51 105.19 99.50 2a7o n GLY 100 Ca -0.08 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 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 0.18 -3.42 4.61 0.00 -1.91 0.26 119.26 118.97 2a7o h ALA 101 Ca 0.00 -0.51 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 2a7o h ALA 101 Cb 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 2a7o h ALA 101 CO 0.00 0.37 -0.82 0.08 0.00 0.00 0.00 179.25 178.88 2a7o s VAL 102 N -3.63 2.53 -0.63 0.00 1.01 -1.26 -0.66 120.40 117.76 2a7o s VAL 102 Ca -0.13 -1.83 -0.27 0.00 0.00 0.00 0.00 61.98 59.76 2a7o s VAL 102 Cb 0.05 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.28 2a7o s VAL 102 CO 0.82 -0.03 1.16 -0.47 0.00 0.00 0.00 175.10 176.58 2a7o s TYR 103 N -1.45 2.54 -0.59 5.22 5.04 0.12 -4.54 117.35 123.70 2a7o s TYR 103 Ca 0.19 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.91 2a7o s TYR 103 Cb -0.09 -4.45 0.15 0.00 0.35 0.00 0.00 41.96 37.92 2a7o s TYR 103 CO 0.10 -1.70 0.40 0.15 -1.34 0.00 0.00 175.55 173.15 2a7o s LYS 104 N 4.94 2.45 0.59 4.97 1.02 -1.26 -4.45 119.74 128.00 2a7o s LYS 104 Ca 0.36 -2.46 0.35 0.00 0.02 0.00 0.00 55.97 54.24 2a7o s LYS 104 Cb -0.09 -3.68 1.82 0.00 -0.52 0.00 0.00 37.83 35.36 2a7o s LYS 104 CO 0.20 -1.16 2.18 -1.00 -0.92 0.00 0.00 175.35 174.65 2a7o h PRO 105 N 7.09 0.00 0.00 -1.68 0.13 -1.98 0.13 132.00 135.69 2a7o h PRO 105 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2a7o h PRO 105 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2a7o h PRO 105 CO 0.71 0.04 0.06 1.57 -0.23 0.00 0.00 178.00 180.15 2a7o h LYS 106 N 0.00 0.00 -0.03 0.86 2.10 -2.02 -1.37 116.57 116.11 2a7o h LYS 106 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2a7o h LYS 106 Cb 0.21 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.41 2a7o h LYS 106 CO 0.01 0.00 -0.68 0.39 -2.00 0.00 0.00 179.45 177.16 2a7o n GLU 107 N -2.35 1.19 -1.58 0.07 1.02 0.45 -5.06 120.64 114.38 2a7o n GLU 107 Ca -0.02 -2.95 -0.30 0.00 -0.02 0.00 0.00 57.16 53.88 2a7o n GLU 107 Cb 0.09 -1.16 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2a7o s ASP 108 N -2.89 2.65 0.00 1.62 2.15 -0.52 -4.84 116.67 114.84 2a7o s ASP 108 Ca 0.37 0.58 0.07 0.00 0.43 0.00 0.00 52.55 54.00 2a7o s ASP 108 Cb 0.38 -0.85 0.42 0.00 -0.30 0.00 0.00 42.92 42.57 2a7o s ASP 108 CO -0.10 -3.05 0.88 1.07 -0.17 0.00 0.00 175.17 173.80