#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 0.80 -0.03 3.42 7.64 -1.26 -0.95 113.62 123.23 2a7o n SER 11 Ca 0.00 -0.77 -0.13 0.00 1.01 0.00 0.00 58.87 58.98 2a7o n SER 11 Cb 0.00 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.96 0.05 0.64 6.43 4.64 -2.00 -2.84 113.55 121.43 2a7o h SER 12 Ca 0.00 -0.65 -0.27 0.00 -0.47 0.00 0.00 61.79 60.40 2a7o h SER 12 Cb 0.44 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2a7o h SER 12 CO 0.00 0.69 -1.29 1.05 -0.87 0.00 0.00 176.83 176.41 2a7o h GLU 13 N -0.58 0.21 -0.89 4.77 4.11 -1.99 -2.90 114.58 117.31 2a7o h GLU 13 Ca -0.00 -0.36 0.08 0.00 0.07 0.00 0.00 59.36 59.14 2a7o h GLU 13 Cb 0.69 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2a7o h GLU 13 CO 0.01 1.13 0.58 1.25 0.07 0.00 0.00 179.01 182.05 2a7o h LEU 14 N 0.06 0.85 0.00 3.06 6.46 -1.16 -0.29 115.31 124.29 2a7o h LEU 14 Ca -0.15 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.55 2a7o h LEU 14 Cb 1.95 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.70 2a7o h LEU 14 CO 0.18 0.53 -0.44 0.00 -0.62 0.00 0.00 178.44 178.09 2a7o h ALA 15 N 1.53 0.75 -0.70 1.25 0.00 -1.55 0.28 119.26 120.83 2a7o h ALA 15 Ca 0.40 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2a7o h ALA 15 Cb 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2a7o h ALA 15 CO -0.16 0.45 0.44 0.87 0.00 0.00 0.00 179.25 180.85 2a7o h LYS 16 N 0.00 0.83 0.10 0.00 1.79 -0.83 0.29 116.57 118.75 2a7o h LYS 16 Ca -0.01 -0.05 -0.27 0.00 -2.18 0.00 0.00 60.65 58.14 2a7o h LYS 16 Cb 1.28 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2a7o h LYS 16 CO 0.04 0.55 -1.27 0.87 -1.08 0.00 0.00 179.45 178.57 2a7o h LYS 17 N 0.86 0.21 -0.11 3.15 1.79 -1.31 -3.27 116.57 117.89 2a7o h LYS 17 Ca 0.28 -0.36 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 2a7o h LYS 17 Cb 0.02 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2a7o h LYS 17 CO -0.11 1.14 -0.53 1.03 -1.08 0.00 0.00 179.45 179.90 2a7o h SER 18 N 0.06 0.36 -0.25 0.86 0.87 0.26 -1.11 113.55 114.59 2a7o h SER 18 Ca -0.14 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.12 2a7o h SER 18 Cb 1.95 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2a7o h SER 18 CO 0.18 0.82 -0.32 0.11 -0.53 0.00 0.00 176.83 177.10 2a7o h LYS 19 N 0.25 0.66 -0.44 2.24 1.57 -0.56 0.33 116.57 120.62 2a7o h LYS 19 Ca 0.01 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 2a7o h LYS 19 Cb 1.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2a7o h LYS 19 CO 0.09 0.98 -0.14 1.05 -0.57 0.00 0.00 179.45 180.86 2a7o h GLU 20 N 0.38 0.87 -0.15 3.15 4.11 -1.58 0.29 114.58 121.65 2a7o h GLU 20 Ca 0.03 -0.35 -0.01 0.00 0.07 0.00 0.00 59.36 59.10 2a7o h GLU 20 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2a7o h GLU 20 CO 0.08 0.99 0.03 0.28 0.07 0.00 0.00 179.01 180.46 2a7o h VAL 21 N 0.70 1.20 0.23 -1.06 2.07 -1.15 -0.71 116.25 117.54 2a7o h VAL 21 Ca 0.11 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2a7o h VAL 21 Cb 0.69 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2a7o h VAL 21 CO 0.05 0.19 -0.20 0.15 0.02 0.00 0.00 177.57 177.78 2a7o h PHE 22 N 0.03 -0.53 -0.01 1.57 3.57 -0.19 0.16 116.94 121.55 2a7o h PHE 22 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2a7o h PHE 22 Cb 0.27 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2a7o h PHE 22 CO 0.01 -0.30 -0.06 0.07 -2.23 0.00 0.00 178.31 175.80 2a7o h ARG 23 N -0.45 0.02 -0.05 1.11 -0.00 -0.39 0.14 114.38 114.76 2a7o h ARG 23 Ca -0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.93 2a7o h ARG 23 Cb 0.41 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 2a7o h ARG 23 CO -0.03 0.08 -0.12 -0.22 -0.00 0.00 0.00 179.97 179.68 2a7o h LYS 24 N 0.02 0.16 -0.01 0.08 3.64 0.05 0.49 116.57 121.00 2a7o h LYS 24 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2a7o h LYS 24 Cb 0.12 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2a7o h LYS 24 CO 0.01 0.71 -0.01 0.93 -2.27 0.00 0.00 179.45 178.83 2a7o h GLU 25 N -0.37 -0.01 -0.46 1.90 4.39 -0.08 -0.62 114.58 119.35 2a7o h GLU 25 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2a7o h GLU 25 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2a7o h GLU 25 CO 0.03 -0.00 -0.11 1.98 -1.16 0.00 0.00 179.01 179.74 2a7o h MET 26 N -0.01 0.83 -0.57 2.33 4.05 -0.83 0.25 114.93 120.98 2a7o h MET 26 Ca 0.01 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.12 2a7o h MET 26 Cb 0.01 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 2a7o h MET 26 CO -0.01 0.90 0.27 0.77 0.23 0.00 0.00 176.91 179.07 2a7o h SER 27 N 0.75 0.72 -0.23 1.39 0.02 -0.45 0.44 113.55 116.18 2a7o h SER 27 Ca 0.12 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 2a7o h SER 27 Cb 0.61 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2a7o h SER 27 CO 0.04 0.62 -0.41 1.56 -1.14 0.00 0.00 176.83 177.50 2a7o h GLN 28 N 0.80 0.67 -0.18 3.45 1.08 -0.33 0.23 115.11 120.84 2a7o h GLN 28 Ca 0.20 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2a7o h GLN 28 Cb 0.09 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2a7o h GLN 28 CO -0.03 1.04 0.09 0.35 -0.95 0.00 0.00 178.83 179.34 2a7o h PHE 29 N 0.38 0.25 -0.45 2.96 3.57 -0.14 -0.44 116.94 123.07 2a7o h PHE 29 Ca 0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2a7o h PHE 29 Cb 1.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2a7o h PHE 29 CO 0.08 0.25 0.20 0.82 -2.23 0.00 0.00 178.31 177.43 2a7o h ILE 30 N 0.18 1.19 -0.54 1.41 2.04 -0.09 0.52 117.51 122.22 2a7o h ILE 30 Ca 0.06 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.47 2a7o h ILE 30 Cb 0.09 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 2a7o h ILE 30 CO -0.01 0.21 -0.00 0.58 0.00 0.00 0.00 178.15 178.93 2a7o h VAL 31 N 0.58 0.57 -0.64 1.67 2.07 -0.35 0.36 116.25 120.50 2a7o h VAL 31 Ca 0.15 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2a7o h VAL 31 Cb 0.15 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2a7o h VAL 31 CO -0.02 0.02 0.41 -0.61 0.02 0.00 0.00 177.57 177.40 2a7o h GLN 32 N 0.12 0.80 -0.48 1.57 4.15 -0.43 0.96 115.11 121.80 2a7o h GLN 32 Ca 0.28 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.56 2a7o h GLN 32 Cb 0.42 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2a7o h GLN 32 CO -0.46 0.53 -0.05 0.00 -1.93 0.00 0.00 178.83 176.93 2a7o h LEU 34 N 0.76 0.00 -0.92 0.00 3.38 0.32 -3.37 115.31 115.49 2a7o h LEU 34 Ca 0.14 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.32 2a7o h LEU 34 Cb 0.53 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 2a7o h LEU 34 CO 0.03 0.36 -0.14 0.59 0.09 0.00 0.00 178.44 179.37 2a7o n ASN 35 N -3.21 -0.25 0.22 -0.43 3.02 0.27 -0.27 115.26 114.61 2a7o n ASN 35 Ca 0.02 1.57 0.15 0.00 -0.03 0.00 0.00 54.58 56.30 2a7o n ASN 35 Cb 0.66 -0.51 0.63 0.00 -0.61 0.00 0.00 39.78 39.95 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 -1.77 -3.04 132.00 130.84 2a7o h PRO 36 Ca 0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.47 2a7o h PRO 36 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2a7o h PRO 36 CO -0.92 0.00 -0.90 1.88 -0.23 0.00 0.00 178.00 177.83 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -0.88 -3.23 116.97 112.42 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 0.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.14 2a7o h TYR 37 CO 0.00 0.60 -0.04 2.89 -0.00 0.00 0.00 178.16 181.61 2a7o n ARG 38 N -3.12 1.20 -2.57 4.88 1.85 -1.03 -0.03 116.66 117.83 2a7o n ARG 38 Ca -0.03 -0.47 -0.39 0.00 -1.00 0.00 0.00 57.85 55.96 2a7o n ARG 38 Cb 0.80 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.67 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 -2.13 4.62 0.22 2.89 -0.14 -1.22 -4.73 119.74 119.25 2a7o s LYS 39 Ca 0.39 1.65 0.17 0.00 -1.36 0.00 0.00 55.97 56.82 2a7o s LYS 39 Cb 0.21 -3.09 0.85 0.00 -1.68 0.00 0.00 37.83 34.12 2a7o s LYS 39 CO 0.39 0.24 1.52 -0.35 -0.76 0.00 0.00 175.35 176.38 2a7o n PRO 40 N 1.03 0.11 -0.31 -1.68 -0.04 -1.26 -1.16 135.00 131.69 2a7o n PRO 40 Ca -0.00 0.54 0.07 0.00 -0.04 0.00 0.00 63.50 64.07 2a7o n PRO 40 Cb 0.46 -1.81 0.22 0.00 -0.04 0.00 0.00 33.50 32.33 2a7o n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2a7o n ASP 41 N -2.04 3.48 -4.69 3.54 2.03 -1.26 -4.96 116.55 112.65 2a7o n ASP 41 Ca -0.00 -2.27 -0.42 0.00 0.52 0.00 0.00 54.79 52.62 2a7o n ASP 41 Cb 0.07 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7o h LYS 43 N 7.98 0.39 -4.49 0.00 3.64 -1.90 -3.41 116.57 118.78 2a7o h LYS 43 Ca -0.41 -0.65 -0.54 0.00 -1.27 0.00 0.00 60.65 57.78 2a7o h LYS 43 Cb 1.19 0.24 -0.35 0.00 -0.41 0.00 0.00 32.23 32.90 2a7o h LYS 43 CO 0.92 1.30 -0.82 0.54 -2.27 0.00 0.00 179.45 179.12 2a7o s VAL 44 N -2.69 1.23 -0.77 2.00 0.11 -1.26 -4.13 120.40 114.89 2a7o s VAL 44 Ca -0.06 -0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.49 2a7o s VAL 44 Cb 0.06 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2a7o s VAL 44 CO 0.91 0.39 0.67 0.61 -3.33 0.00 0.00 175.10 174.35 2a7o n GLY 45 N 4.39 0.03 3.66 6.54 0.00 0.77 -4.91 105.19 115.68 2a7o n GLY 45 Ca -0.18 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.46 4.21 -0.07 1.61 3.52 0.96 -4.41 118.95 119.32 2a7o s ARG 46 Ca 0.23 1.94 -0.30 0.00 -0.13 0.00 0.00 55.73 57.48 2a7o s ARG 46 Cb -0.10 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 2a7o s ARG 46 CO 0.43 -0.76 1.23 0.42 -0.81 0.00 0.00 175.30 175.81 2a7o s ILE 47 N 3.64 4.21 0.02 4.11 1.01 0.95 -0.27 121.20 134.87 2a7o s ILE 47 Ca 0.64 1.53 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 2a7o s ILE 47 Cb -0.28 -3.99 -0.16 0.00 0.01 0.00 0.00 42.46 38.04 2a7o s ILE 47 CO 0.23 -0.02 1.23 0.71 0.00 0.00 0.00 174.94 177.09 2a7o h THR 48 N 5.07 0.26 -3.78 2.92 1.35 -1.89 -3.42 112.91 113.42 2a7o h THR 48 Ca -0.33 -0.34 -0.25 0.00 -0.55 0.00 0.00 66.41 64.94 2a7o h THR 48 Cb 1.15 0.35 -0.16 0.00 -1.73 0.00 0.00 68.15 67.76 2a7o h THR 48 CO 0.89 0.03 -0.71 -0.89 -0.25 0.00 0.00 175.52 174.60 2a7o s THR 49 N -4.90 0.75 0.26 6.82 2.01 -1.26 -5.03 115.64 114.29 2a7o s THR 49 Ca -0.15 -1.80 -0.02 0.00 0.31 0.00 0.00 61.69 60.04 2a7o s THR 49 Cb 0.02 -1.52 0.25 0.00 0.01 0.00 0.00 72.50 71.26 2a7o s THR 49 CO 0.49 -0.76 1.82 0.00 -0.69 0.00 0.00 174.62 175.48 2a7o h THR 50 N 3.22 0.91 -0.32 -0.82 1.03 -1.98 0.18 112.91 115.13 2a7o h THR 50 Ca -0.36 -0.30 -0.03 0.00 -0.01 0.00 0.00 66.41 65.71 2a7o h THR 50 Cb 1.18 -0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.19 2a7o h THR 50 CO 0.60 0.16 0.08 1.05 -0.01 0.00 0.00 175.52 177.40 2a7o h GLU 51 N 0.88 0.46 -0.11 0.00 4.11 -1.98 0.12 114.58 118.06 2a7o h GLU 51 Ca 0.44 -0.07 -0.24 0.00 0.07 0.00 0.00 59.36 59.57 2a7o h GLU 51 Cb 0.42 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2a7o h GLU 51 CO -0.26 0.42 -0.86 -0.44 0.07 0.00 0.00 179.01 177.94 2a7o h ASP 52 N 0.45 0.93 0.11 3.06 5.19 -1.52 -0.46 116.42 124.19 2a7o h ASP 52 Ca 0.11 -0.65 0.01 0.00 -0.62 0.00 0.00 57.03 55.88 2a7o h ASP 52 Cb 0.17 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2a7o h ASP 52 CO -0.00 1.45 -0.16 0.15 -3.12 0.00 0.00 179.24 177.56 2a7o h PHE 53 N 0.50 -0.40 -0.73 4.55 3.04 0.04 0.10 116.94 124.03 2a7o h PHE 53 Ca -0.08 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 2a7o h PHE 53 Cb 1.50 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 40.14 2a7o h PHE 53 CO 0.09 -0.23 0.27 0.87 -2.02 0.00 0.00 178.31 177.29 2a7o h LYS 54 N -0.32 1.11 -0.35 1.11 1.57 -0.77 0.66 116.57 119.57 2a7o h LYS 54 Ca 0.02 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2a7o h LYS 54 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2a7o h LYS 54 CO -0.07 0.92 0.09 1.25 -0.57 0.00 0.00 179.45 181.07 2a7o h HIS 55 N 1.06 0.59 -0.30 -1.35 2.76 -0.79 -0.94 115.15 116.18 2a7o h HIS 55 Ca 0.24 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2a7o h HIS 55 Cb 0.24 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2a7o h HIS 55 CO 0.02 0.60 0.01 1.25 -1.30 0.00 0.00 177.93 178.51 2a7o h LEU 56 N 0.42 0.52 -0.91 0.26 6.46 -0.57 -0.16 115.31 121.33 2a7o h LEU 56 Ca 0.11 -0.30 0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2a7o h LEU 56 Cb 0.30 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.01 2a7o h LEU 56 CO 0.00 0.69 0.54 0.00 -0.62 0.00 0.00 178.44 179.06 2a7o h ALA 57 N 0.85 1.34 0.19 1.25 0.00 -0.57 0.21 119.26 122.53 2a7o h ALA 57 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2a7o h ALA 57 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2a7o h ALA 57 CO 0.01 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.32 2a7o h ARG 58 N 0.87 -0.24 -0.60 0.00 2.47 -0.88 -1.42 114.38 114.58 2a7o h ARG 58 Ca 0.45 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 2a7o h ARG 58 Cb 0.45 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2a7o h ARG 58 CO -0.27 -0.04 0.39 -0.22 0.56 0.00 0.00 179.97 180.40 2a7o h LYS 59 N -0.41 0.80 -0.49 0.04 3.64 -0.23 -0.40 116.57 119.53 2a7o h LYS 59 Ca -0.03 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 2a7o h LYS 59 Cb 0.32 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2a7o h LYS 59 CO 0.04 0.55 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.59 2a7o h LEU 60 N 0.82 0.94 -0.82 5.20 3.38 -0.57 -0.41 115.31 123.85 2a7o h LEU 60 Ca 0.22 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2a7o h LEU 60 Cb -0.07 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 2a7o h LEU 60 CO -0.05 1.08 0.50 0.74 0.09 0.00 0.00 178.44 180.80 2a7o h THR 61 N 0.79 1.02 -0.19 0.22 2.02 -0.84 -0.61 112.91 115.33 2a7o h THR 61 Ca 0.13 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 2a7o h THR 61 Cb 0.66 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2a7o h THR 61 CO 0.05 0.17 -0.43 -0.74 0.37 0.00 0.00 175.52 174.93 2a7o h HIS 62 N 0.91 0.54 0.06 3.16 -0.00 -0.57 -1.50 115.15 117.74 2a7o h HIS 62 Ca 0.36 -0.16 -0.27 0.00 -0.00 0.00 0.00 60.37 60.30 2a7o h HIS 62 Cb 0.18 -0.11 0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2a7o h HIS 62 CO -0.04 0.81 -1.12 0.78 -0.00 0.00 0.00 177.93 178.36 2a7o h GLY 63 N 1.14 0.61 1.01 5.26 0.00 -0.36 -0.99 103.07 109.74 2a7o h GLY 63 Ca 0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.13 2a7o h GLY 63 CO 0.08 1.05 0.29 -2.08 0.00 0.00 0.00 176.54 175.88 2a7o h VAL 64 N 0.27 1.23 0.09 4.60 2.07 -1.06 -0.75 116.25 122.70 2a7o h VAL 64 Ca -0.14 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2a7o h VAL 64 Cb 1.78 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2a7o h VAL 64 CO 0.21 0.28 -0.04 -0.03 0.02 0.00 0.00 177.57 178.00 2a7o h MET 65 N 0.92 -0.11 -0.48 1.57 -1.53 -1.26 -0.52 114.93 113.52 2a7o h MET 65 Ca 0.22 0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.44 2a7o h MET 65 Cb 0.16 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.21 2a7o h MET 65 CO -0.02 -0.04 0.09 -0.91 0.14 0.00 0.00 176.91 176.17 2a7o h ASN 66 N -0.16 0.75 -0.50 1.39 2.35 -0.99 0.91 115.58 119.33 2a7o h ASN 66 Ca -0.01 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 2a7o h ASN 66 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2a7o h ASN 66 CO 0.02 0.81 -0.08 0.11 -1.65 0.00 0.00 177.43 176.64 2a7o h LYS 67 N 0.65 0.97 0.04 0.81 1.57 -0.87 -0.32 116.57 119.43 2a7o h LYS 67 Ca 0.15 -0.33 -0.25 0.00 -1.87 0.00 0.00 60.65 58.35 2a7o h LYS 67 Cb 0.37 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.61 2a7o h LYS 67 CO 0.01 1.00 -1.04 1.05 -0.57 0.00 0.00 179.45 179.90 2a7o h GLU 68 N 0.87 0.41 -0.20 3.15 4.11 -0.99 -1.50 114.58 120.43 2a7o h GLU 68 Ca 0.14 -0.50 0.06 0.00 0.07 0.00 0.00 59.36 59.13 2a7o h GLU 68 Cb 0.62 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2a7o h GLU 68 CO 0.04 1.17 0.16 -0.07 0.07 0.00 0.00 179.01 180.37 2a7o h LEU 69 N 0.21 0.00 -0.01 3.06 3.38 -0.55 0.34 115.31 121.73 2a7o h LEU 69 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2a7o h LEU 69 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2a7o h LEU 69 CO 0.18 0.00 -0.06 0.11 0.09 0.00 0.00 178.44 178.76 2a7o h LYS 70 N 0.00 0.06 -0.20 1.13 1.57 -0.69 -1.14 116.57 117.31 2a7o h LYS 70 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2a7o h LYS 70 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2a7o h LYS 70 CO -0.00 0.73 0.00 0.66 -0.57 0.00 0.00 179.45 180.26 2a7o n TYR 71 N -4.70 0.25 0.00 -1.35 4.02 -0.60 -4.08 117.16 110.71 2a7o n TYR 71 Ca -0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 2a7o n TYR 71 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 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 -2.77 0.00 -3.71 0.00 5.02 -0.43 -4.84 118.16 111.42 2a7o n LYS 73 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2a7o n LYS 73 Cb 0.38 -0.79 -0.12 0.00 -0.02 0.00 0.00 35.03 34.49 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 5.40 0.00 4.39 0.01 -1.26 -4.97 114.94 118.51 2a7o s ASN 74 Ca 0.00 -1.34 0.04 0.00 -0.71 0.00 0.00 52.86 50.85 2a7o s ASN 74 Cb 0.00 -1.90 0.24 0.00 0.41 0.00 0.00 41.25 40.01 2a7o s ASN 74 CO 0.00 -0.41 0.80 -0.81 -1.51 0.00 0.00 177.10 175.17 2a7o n PRO 75 N 4.82 0.60 0.18 -0.60 -0.04 -1.26 -2.35 135.00 136.34 2a7o n PRO 75 Ca -0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2a7o n PRO 75 Cb 0.44 -1.11 0.61 0.00 -0.04 0.00 0.00 33.50 33.40 2a7o n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2a7o h GLU 76 N 0.00 0.00 -0.13 0.54 4.22 -1.93 -1.73 114.58 115.54 2a7o h GLU 76 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2a7o h GLU 76 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2a7o h GLU 76 CO 0.00 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.58 2a7o n ASP 77 N -2.46 2.15 -4.46 1.04 8.00 -0.99 -4.84 116.55 114.99 2a7o n ASP 77 Ca 0.01 -1.70 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 2a7o n ASP 77 Cb 0.18 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 2a7o n ASP 77 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a7o s LEU 78 N -0.82 4.45 0.00 0.64 2.96 -0.65 -4.90 118.68 120.35 2a7o s LEU 78 Ca 0.12 -1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 2a7o s LEU 78 Cb 0.07 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.34 2a7o s LEU 78 CO 0.09 -1.36 0.20 -0.70 -1.32 0.00 0.00 176.35 173.26 2a7o s GLU 79 N 3.83 0.56 -1.35 1.98 2.56 -1.26 -4.64 118.70 120.39 2a7o s GLU 79 Ca 0.27 -0.35 -0.12 0.00 0.00 0.00 0.00 54.97 54.78 2a7o s GLU 79 Cb -0.12 0.24 0.11 0.00 2.00 0.00 0.00 34.13 36.36 2a7o s GLU 79 CO 0.04 -0.15 2.00 0.00 -0.56 0.00 0.00 175.26 176.59 2a7o s ASN 81 N 1.97 4.79 0.16 0.00 2.20 -1.26 -4.80 114.94 118.00 2a7o s ASN 81 Ca 0.43 -0.74 -0.24 0.00 -0.94 0.00 0.00 52.86 51.37 2a7o s ASN 81 Cb 0.11 0.29 0.04 0.00 -2.00 0.00 0.00 41.25 39.69 2a7o s ASN 81 CO -0.03 -1.57 1.59 -0.08 -2.94 0.00 0.00 177.10 174.07 2a7o h GLU 82 N -0.09 -0.27 -0.22 3.55 4.81 -1.98 0.63 114.58 121.02 2a7o h GLU 82 Ca -0.31 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2a7o h GLU 82 Cb 1.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 2a7o h GLU 82 CO 0.40 -0.18 -0.07 -0.97 -0.73 0.00 0.00 179.01 177.46 2a7o h ASN 83 N -0.28 -0.24 -0.40 1.04 -0.73 -1.95 0.21 115.58 113.24 2a7o h ASN 83 Ca 0.16 0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 2a7o h ASN 83 Cb 0.55 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.27 2a7o h ASN 83 CO -0.54 -0.09 0.17 0.58 -0.37 0.00 0.00 177.43 177.18 2a7o h VAL 84 N -0.02 1.19 -0.17 2.57 2.07 -1.54 -1.29 116.25 119.06 2a7o h VAL 84 Ca 0.11 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2a7o h VAL 84 Cb 0.18 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2a7o h VAL 84 CO -0.24 0.21 -0.05 0.11 0.02 0.00 0.00 177.57 177.62 2a7o h LYS 85 N 0.50 -0.02 -0.29 1.57 1.57 0.71 0.15 116.57 120.76 2a7o h LYS 85 Ca 0.13 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2a7o h LYS 85 Cb 0.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 2a7o h LYS 85 CO -0.01 -0.01 -0.27 1.25 -0.57 0.00 0.00 179.45 179.83 2a7o h HIS 86 N -0.02 -0.74 -0.44 -1.35 2.76 -0.36 0.20 115.15 115.22 2a7o h HIS 86 Ca 0.08 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 2a7o h HIS 86 Cb 0.14 0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2a7o h HIS 86 CO -0.20 -0.35 0.13 -0.22 -1.30 0.00 0.00 177.93 175.99 2a7o h LYS 87 N -0.26 0.64 0.32 5.26 3.64 -0.75 -1.84 116.57 123.57 2a7o h LYS 87 Ca 0.15 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2a7o h LYS 87 Cb 0.49 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2a7o h LYS 87 CO -0.44 0.56 -0.15 1.15 -2.27 0.00 0.00 179.45 178.30 2a7o h THR 88 N 0.63 0.00 -0.28 1.00 2.02 0.11 0.39 112.91 116.78 2a7o h THR 88 Ca 0.15 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2a7o h THR 88 Cb 0.20 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2a7o h THR 88 CO -0.01 0.00 0.06 0.07 0.37 0.00 0.00 175.52 176.01 2a7o h LYS 89 N -1.11 0.40 -0.31 6.66 5.09 -0.67 0.49 116.57 127.12 2a7o h LYS 89 Ca -0.04 -0.06 -0.13 0.00 0.09 0.00 0.00 60.65 60.51 2a7o h LYS 89 Cb 0.33 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2a7o h LYS 89 CO 0.07 0.38 -0.35 0.93 -2.09 0.00 0.00 179.45 178.39 2a7o h GLU 90 N 0.40 0.70 -0.15 0.07 5.08 -1.37 -1.52 114.58 117.78 2a7o h GLU 90 Ca 0.10 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 2a7o h GLU 90 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2a7o h GLU 90 CO -0.00 0.94 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.02 2a7o h TYR 91 N 0.58 0.31 -0.16 4.33 3.20 0.87 -1.74 116.97 124.36 2a7o h TYR 91 Ca 0.06 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2a7o h TYR 91 Cb 0.87 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.99 2a7o h TYR 91 CO 0.04 0.52 -0.37 0.82 -1.64 0.00 0.00 178.16 177.52 2a7o h ILE 92 N 0.01 0.20 -0.10 1.81 1.08 0.00 0.48 117.51 120.99 2a7o h ILE 92 Ca 0.04 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 2a7o h ILE 92 Cb 0.40 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 2a7o h ILE 92 CO 0.01 0.00 -0.14 0.11 -0.69 0.00 0.00 178.15 177.44 2a7o h LYS 93 N -0.43 -0.18 -0.36 2.37 1.57 -1.20 0.15 116.57 118.49 2a7o h LYS 93 Ca 0.09 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2a7o h LYS 93 Cb 0.59 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2a7o h LYS 93 CO -0.40 -0.12 0.01 -0.22 -0.57 0.00 0.00 179.45 178.15 2a7o h LYS 94 N -0.18 0.56 0.22 3.15 1.63 -0.73 -1.22 116.57 120.00 2a7o h LYS 94 Ca 0.08 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2a7o h LYS 94 Cb 0.30 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2a7o h LYS 94 CO -0.21 0.58 -0.11 -0.92 -3.45 0.00 0.00 179.45 175.35 2a7o h TYR 95 N 0.54 -0.28 0.00 1.91 3.20 0.69 -2.86 116.97 120.17 2a7o h TYR 95 Ca 0.12 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2a7o h TYR 95 Cb 0.34 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2a7o h TYR 95 CO 0.01 -0.02 0.00 0.52 -1.64 0.00 0.00 178.16 177.03 2a7o h MET 96 N -0.52 0.00 0.00 1.82 2.86 0.30 -1.39 114.93 118.01 2a7o h MET 96 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 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 0.05 0.00 0.00 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 -1.02 -2.16 115.11 114.73 2a7o h GLN 97 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2a7o h GLN 97 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2a7o h GLN 97 CO 0.00 0.00 -0.26 1.57 -0.95 0.00 0.00 178.83 179.19 2a7o h LYS 98 N 0.00 0.00 -0.00 1.46 5.09 -1.35 -3.28 116.57 118.49 2a7o h LYS 98 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.55 2a7o h LYS 98 Cb 0.26 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2a7o h LYS 98 CO 0.00 0.19 -0.86 0.74 -2.09 0.00 0.00 179.45 177.43 2a7o h PHE 99 N 0.00 0.29 0.00 0.07 0.04 -1.54 -3.49 116.94 112.31 2a7o h PHE 99 Ca -0.01 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2a7o h PHE 99 Cb 1.16 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2a7o h PHE 99 CO 0.00 0.96 0.00 0.41 -0.60 0.00 0.00 178.31 179.08 2a7o n GLY 100 N 0.84 0.92 0.07 -1.45 0.00 -1.24 -4.27 105.19 100.06 2a7o n GLY 100 Ca -0.03 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.57 4.61 0.00 -1.92 0.22 119.26 118.57 2a7o h ALA 101 Ca 0.00 -0.35 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 2a7o h ALA 101 Cb 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 2a7o h ALA 101 CO 0.00 -0.14 -0.78 0.14 0.00 0.00 0.00 179.25 178.47 2a7o s VAL 102 N -3.18 2.94 -0.39 0.00 -7.23 -1.26 -0.03 120.40 111.25 2a7o s VAL 102 Ca -0.17 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2a7o s VAL 102 Cb -0.01 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.57 2a7o s VAL 102 CO 0.64 0.06 1.29 -0.47 -0.31 0.00 0.00 175.10 176.31 2a7o s TYR 103 N -1.26 2.64 -0.52 2.82 5.04 0.63 -4.65 117.35 122.04 2a7o s TYR 103 Ca 0.20 0.77 0.04 0.00 -2.44 0.00 0.00 57.07 55.63 2a7o s TYR 103 Cb -0.10 -4.19 0.14 0.00 0.35 0.00 0.00 41.96 38.15 2a7o s TYR 103 CO 0.11 -1.64 0.29 -1.59 -1.34 0.00 0.00 175.55 171.39 2a7o s LYS 104 N 4.52 1.82 0.45 4.97 -2.85 -1.26 -4.58 119.74 122.81 2a7o s LYS 104 Ca 0.55 -2.55 0.16 0.00 -1.00 0.00 0.00 55.97 53.13 2a7o s LYS 104 Cb -0.13 -2.99 1.04 0.00 -2.06 0.00 0.00 37.83 33.69 2a7o s LYS 104 CO 0.29 -1.16 1.99 -1.00 0.10 0.00 0.00 175.35 175.56 2a7o h PRO 105 N 6.35 0.00 0.00 1.78 0.13 -1.97 -0.84 132.00 137.45 2a7o h PRO 105 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2a7o h PRO 105 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2a7o h PRO 105 CO 0.62 0.19 0.00 1.63 -0.23 0.00 0.00 178.00 180.21 2a7o n LYS 106 N -4.22 0.26 -0.40 0.86 4.01 -1.26 -1.36 118.16 116.05 2a7o n LYS 106 Ca -0.02 0.10 0.06 0.00 -0.51 0.00 0.00 58.31 57.94 2a7o n LYS 106 Cb 0.26 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.37 2a7o n LYS 106 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2a7o n GLU 107 N -1.17 0.78 -1.93 1.97 1.02 -0.34 -5.07 120.64 115.90 2a7o n GLU 107 Ca 0.07 -2.10 -0.29 0.00 -0.02 0.00 0.00 57.16 54.82 2a7o n GLU 107 Cb 0.08 -1.05 0.11 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.23 4.20 0.00 1.62 2.15 -0.46 -4.97 116.67 116.97 2a7o s ASP 108 Ca 0.22 0.63 0.21 0.00 0.43 0.00 0.00 52.55 54.05 2a7o s ASP 108 Cb 0.21 -1.03 1.27 0.00 -0.30 0.00 0.00 42.92 43.07 2a7o s ASP 108 CO -0.01 -2.08 1.65 1.07 -0.17 0.00 0.00 175.17 175.63