#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 0.41 0.06 3.42 7.64 -1.26 0.05 113.62 123.95 2a7o n SER 11 Ca 0.00 0.57 -0.12 0.00 1.01 0.00 0.00 58.87 60.33 2a7o n SER 11 Cb 0.00 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.44 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 -0.18 0.82 6.43 4.64 -1.99 -3.06 113.55 120.20 2a7o h SER 12 Ca 0.00 -0.35 -0.24 0.00 -0.47 0.00 0.00 61.79 60.73 2a7o h SER 12 Cb 0.44 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2a7o h SER 12 CO 0.00 0.32 -1.19 1.05 -0.87 0.00 0.00 176.83 176.14 2a7o h GLU 13 N -0.75 0.06 -0.18 4.77 -0.00 -1.80 -3.26 114.58 113.42 2a7o h GLU 13 Ca -0.02 -0.11 0.03 0.00 -0.00 0.00 0.00 59.36 59.27 2a7o h GLU 13 Cb 0.52 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.30 2a7o h GLU 13 CO 0.04 0.97 0.13 1.25 -0.00 0.00 0.00 179.01 181.39 2a7o h LEU 14 N 0.02 0.09 -0.91 3.06 6.46 -0.49 -1.09 115.31 122.45 2a7o h LEU 14 Ca -0.09 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2a7o h LEU 14 Cb 1.86 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.76 2a7o h LEU 14 CO 0.14 0.06 -0.11 0.00 -0.62 0.00 0.00 178.44 177.91 2a7o h ALA 15 N 1.90 0.98 -0.35 1.25 0.00 -1.57 0.19 119.26 121.66 2a7o h ALA 15 Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2a7o h ALA 15 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2a7o h ALA 15 CO -0.01 0.14 -0.09 -0.22 0.00 0.00 0.00 179.25 179.07 2a7o h LYS 16 N 0.00 0.59 0.20 0.00 3.64 -1.34 -0.95 116.57 118.71 2a7o h LYS 16 Ca -0.00 -0.17 -0.29 0.00 -1.27 0.00 0.00 60.65 58.93 2a7o h LYS 16 Cb 0.76 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2a7o h LYS 16 CO 0.01 0.67 -1.30 0.87 -2.27 0.00 0.00 179.45 177.44 2a7o h LYS 17 N 0.54 0.42 -0.32 1.90 6.56 -1.39 -3.33 116.57 120.96 2a7o h LYS 17 Ca 0.10 -0.72 -0.03 0.00 -1.06 0.00 0.00 60.65 58.94 2a7o h LYS 17 Cb 0.48 0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 2a7o h LYS 17 CO 0.03 1.35 0.09 0.66 -2.06 0.00 0.00 179.45 179.51 2a7o h SER 18 N -0.07 0.48 -0.76 0.86 4.64 -0.31 -0.39 113.55 118.01 2a7o h SER 18 Ca -0.24 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 60.93 2a7o h SER 18 Cb 1.96 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.86 2a7o h SER 18 CO 0.21 0.58 0.44 0.11 -0.87 0.00 0.00 176.83 177.30 2a7o h LYS 19 N 0.37 0.78 -0.08 4.77 1.57 -1.35 0.50 116.57 123.11 2a7o h LYS 19 Ca 0.10 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 2a7o h LYS 19 Cb 0.28 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2a7o h LYS 19 CO -0.00 0.52 -0.61 1.05 -0.57 0.00 0.00 179.45 179.84 2a7o h GLU 20 N 0.80 0.56 -0.46 3.15 4.11 -1.58 0.13 114.58 121.29 2a7o h GLU 20 Ca 0.34 -0.49 -0.05 0.00 0.07 0.00 0.00 59.36 59.23 2a7o h GLU 20 Cb 0.21 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2a7o h GLU 20 CO -0.19 1.12 0.10 0.28 0.07 0.00 0.00 179.01 180.39 2a7o h VAL 21 N 0.16 1.24 0.29 -1.06 2.07 -0.83 -0.39 116.25 117.73 2a7o h VAL 21 Ca -0.05 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2a7o h VAL 21 Cb 1.27 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2a7o h VAL 21 CO 0.12 0.30 -0.14 0.15 0.02 0.00 0.00 177.57 178.03 2a7o h PHE 22 N 0.62 -0.36 -0.09 1.57 3.57 -0.01 -0.74 116.94 121.51 2a7o h PHE 22 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2a7o h PHE 22 Cb 0.34 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2a7o h PHE 22 CO 0.02 -0.16 0.06 0.07 -2.23 0.00 0.00 178.31 176.07 2a7o h ARG 23 N -0.48 0.11 -0.19 1.11 -0.00 -0.66 0.92 114.38 115.19 2a7o h ARG 23 Ca -0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.98 59.87 2a7o h ARG 23 Cb 0.36 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.30 2a7o h ARG 23 CO 0.07 0.07 -0.14 -0.22 -0.00 0.00 0.00 179.97 179.75 2a7o h LYS 24 N 0.11 0.42 -0.11 0.08 3.64 -0.32 0.28 116.57 120.67 2a7o h LYS 24 Ca 0.04 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2a7o h LYS 24 Cb 0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2a7o h LYS 24 CO -0.01 0.75 0.06 0.93 -2.27 0.00 0.00 179.45 178.92 2a7o h GLU 25 N 0.10 0.14 -0.32 1.90 4.39 -0.29 -0.78 114.58 119.72 2a7o h GLU 25 Ca 0.04 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2a7o h GLU 25 Cb 0.65 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2a7o h GLU 25 CO 0.04 0.16 -0.40 1.98 -1.16 0.00 0.00 179.01 179.62 2a7o h MET 26 N 0.09 0.79 -0.70 2.33 4.05 -0.84 0.29 114.93 120.94 2a7o h MET 26 Ca 0.04 -0.41 -0.01 0.00 -0.28 0.00 0.00 59.70 59.03 2a7o h MET 26 Cb 0.05 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 2a7o h MET 26 CO -0.01 1.04 0.38 0.77 0.23 0.00 0.00 176.91 179.33 2a7o h SER 27 N 0.64 0.86 -0.23 1.39 0.02 -0.21 0.39 113.55 116.41 2a7o h SER 27 Ca 0.05 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 2a7o h SER 27 Cb 0.96 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2a7o h SER 27 CO 0.09 0.69 -0.55 1.56 -1.14 0.00 0.00 176.83 177.48 2a7o h GLN 28 N 0.97 0.77 -0.02 3.45 1.08 -0.54 0.26 115.11 121.09 2a7o h GLN 28 Ca 0.25 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2a7o h GLN 28 Cb 0.02 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2a7o h GLN 28 CO -0.04 1.15 0.01 0.35 -0.95 0.00 0.00 178.83 179.35 2a7o h PHE 29 N 0.51 0.02 -0.48 2.96 3.57 -0.03 0.02 116.94 123.52 2a7o h PHE 29 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2a7o h PHE 29 Cb 1.17 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2a7o h PHE 29 CO 0.08 0.04 0.19 0.82 -2.23 0.00 0.00 178.31 177.22 2a7o h ILE 30 N -0.00 1.21 -0.50 1.41 2.04 -0.19 0.11 117.51 121.58 2a7o h ILE 30 Ca 0.01 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2a7o h ILE 30 Cb 0.03 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 2a7o h ILE 30 CO -0.00 0.24 -0.08 0.58 0.00 0.00 0.00 178.15 178.89 2a7o h VAL 31 N 0.63 0.53 -0.72 1.67 2.07 -0.28 0.36 116.25 120.51 2a7o h VAL 31 Ca 0.16 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2a7o h VAL 31 Cb 0.19 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2a7o h VAL 31 CO -0.01 0.01 0.27 -0.61 0.02 0.00 0.00 177.57 177.25 2a7o h GLN 32 N 0.03 1.07 -0.54 1.57 5.75 -0.39 0.28 115.11 122.89 2a7o h GLN 32 Ca 0.25 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2a7o h GLN 32 Cb 0.38 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2a7o h GLN 32 CO -0.49 0.87 0.07 0.00 -2.65 0.00 0.00 178.83 176.64 2a7o h LEU 34 N 0.81 0.00 -0.99 0.00 3.38 0.57 -3.36 115.31 115.72 2a7o h LEU 34 Ca 0.17 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.30 2a7o h LEU 34 Cb 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.95 2a7o h LEU 34 CO 0.01 0.01 -0.25 0.78 0.09 0.00 0.00 178.44 179.09 2a7o h ASN 35 N 0.00 -0.92 1.18 -0.43 -0.26 -0.09 0.72 115.58 115.77 2a7o h ASN 35 Ca 0.00 0.30 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2a7o h ASN 35 Cb 0.85 0.61 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 2a7o h ASN 35 CO 0.00 -0.33 0.00 1.55 -1.06 0.00 0.00 177.43 177.59 2a7o h PRO 36 N -0.00 0.00 0.00 0.81 0.13 -1.75 -3.21 132.00 127.99 2a7o h PRO 36 Ca 0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.48 2a7o h PRO 36 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2a7o h PRO 36 CO -1.02 0.00 -0.69 1.88 -0.23 0.00 0.00 178.00 177.94 2a7o h TYR 37 N 0.00 0.00 -0.00 1.56 -1.99 -1.10 -3.08 116.97 112.35 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 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 2a7o h TYR 37 CO 0.00 0.58 -0.03 2.89 -0.00 0.00 0.00 178.16 181.60 2a7o n ARG 38 N -3.20 1.01 -2.71 4.88 1.85 -0.89 -0.06 116.66 117.54 2a7o n ARG 38 Ca 0.00 -0.27 -0.39 0.00 -1.00 0.00 0.00 57.85 56.20 2a7o n ARG 38 Cb 0.78 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.63 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 -2.17 4.67 0.00 2.89 -0.14 -1.16 -4.72 119.74 119.10 2a7o s LYS 39 Ca 0.39 1.46 0.14 0.00 -1.36 0.00 0.00 55.97 56.61 2a7o s LYS 39 Cb 0.21 -3.01 0.63 0.00 -1.68 0.00 0.00 37.83 33.98 2a7o s LYS 39 CO 0.40 0.33 1.44 -0.35 -0.76 0.00 0.00 175.35 176.41 2a7o n PRO 40 N 0.95 0.04 0.00 -1.68 -0.04 -1.26 -1.70 135.00 131.31 2a7o n PRO 40 Ca 0.00 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2a7o n PRO 40 Cb 0.48 -1.50 0.08 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 -1.46 2.68 -4.68 3.54 5.75 -1.26 -4.97 116.55 116.15 2a7o n ASP 41 Ca 0.04 -1.84 -0.45 0.00 -0.01 0.00 0.00 54.79 52.53 2a7o n ASP 41 Cb 0.15 0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 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 4.95 0.11 -2.98 0.00 1.57 -1.90 -3.44 116.57 114.89 2a7o h LYS 43 Ca -0.45 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 57.95 2a7o h LYS 43 Cb 1.26 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.35 2a7o h LYS 43 CO 0.81 1.08 -0.46 0.54 -0.57 0.00 0.00 179.45 180.86 2a7o s VAL 44 N -2.68 -0.04 -0.64 0.50 0.11 -1.26 -4.60 120.40 111.79 2a7o s VAL 44 Ca -0.01 0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2a7o s VAL 44 Cb 0.09 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 2a7o s VAL 44 CO 0.85 0.05 0.55 0.61 -3.33 0.00 0.00 175.10 173.83 2a7o n GLY 45 N 4.14 0.14 3.66 6.54 0.00 0.11 -4.88 105.19 114.90 2a7o n GLY 45 Ca -0.24 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -5.24 4.20 -0.23 1.61 3.52 0.54 -4.29 118.95 119.07 2a7o s ARG 46 Ca 0.17 2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 57.53 2a7o s ARG 46 Cb -0.07 -3.88 -0.00 0.00 -1.56 0.00 0.00 34.95 29.43 2a7o s ARG 46 CO 0.36 -0.78 1.23 0.42 -0.81 0.00 0.00 175.30 175.72 2a7o s ILE 47 N 3.69 4.30 0.02 4.11 1.01 0.91 0.14 121.20 135.38 2a7o s ILE 47 Ca 0.68 1.53 -0.25 0.00 0.00 0.00 0.00 60.65 62.62 2a7o s ILE 47 Cb -0.31 -4.13 -0.18 0.00 0.01 0.00 0.00 42.46 37.86 2a7o s ILE 47 CO 0.26 -0.29 1.42 0.71 0.00 0.00 0.00 174.94 177.04 2a7o h THR 48 N 5.67 1.09 -3.37 2.92 1.35 -1.88 -3.41 112.91 115.28 2a7o h THR 48 Ca -0.25 -0.64 -0.41 0.00 -0.55 0.00 0.00 66.41 64.56 2a7o h THR 48 Cb 1.09 1.51 -0.17 0.00 -1.73 0.00 0.00 68.15 68.85 2a7o h THR 48 CO 1.00 0.16 -0.75 -0.89 -0.25 0.00 0.00 175.52 174.79 2a7o s THR 49 N -4.99 1.42 0.26 6.82 2.01 -1.26 -5.02 115.64 114.88 2a7o s THR 49 Ca -0.15 -1.91 -0.05 0.00 0.31 0.00 0.00 61.69 59.89 2a7o s THR 49 Cb 0.03 -1.73 0.26 0.00 0.01 0.00 0.00 72.50 71.07 2a7o s THR 49 CO 0.64 -0.52 1.93 0.00 -0.69 0.00 0.00 174.62 175.98 2a7o h THR 50 N 3.14 1.23 -0.68 -0.82 1.03 -1.98 0.19 112.91 115.02 2a7o h THR 50 Ca -0.39 -0.45 -0.01 0.00 -0.01 0.00 0.00 66.41 65.55 2a7o h THR 50 Cb 1.20 -0.19 -0.03 0.00 -1.07 0.00 0.00 68.15 68.06 2a7o h THR 50 CO 0.56 0.24 0.38 -0.33 -0.01 0.00 0.00 175.52 176.35 2a7o h GLU 51 N 1.31 0.93 -0.25 0.00 5.08 -1.98 0.12 114.58 119.79 2a7o h GLU 51 Ca 0.37 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.44 2a7o h GLU 51 Cb -0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 28.96 2a7o h GLU 51 CO -0.09 0.68 -0.62 -0.44 -1.00 0.00 0.00 179.01 177.54 2a7o h ASP 52 N 0.94 0.96 -0.09 1.42 5.19 -1.70 -0.19 116.42 122.95 2a7o h ASP 52 Ca 0.24 -0.55 0.02 0.00 -0.62 0.00 0.00 57.03 56.12 2a7o h ASP 52 Cb 0.01 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 2a7o h ASP 52 CO -0.04 1.35 -0.03 0.15 -3.12 0.00 0.00 179.24 177.55 2a7o h PHE 53 N 0.63 -0.07 -0.55 4.55 3.04 0.09 0.13 116.94 124.76 2a7o h PHE 53 Ca -0.01 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2a7o h PHE 53 Cb 1.23 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.76 2a7o h PHE 53 CO 0.08 -0.05 -0.01 0.87 -2.02 0.00 0.00 178.31 177.17 2a7o h LYS 54 N -0.01 0.95 -0.29 1.11 1.57 -0.71 0.18 116.57 119.36 2a7o h LYS 54 Ca 0.04 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2a7o h LYS 54 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2a7o h LYS 54 CO -0.10 0.94 0.09 1.25 -0.57 0.00 0.00 179.45 181.07 2a7o h HIS 55 N 0.87 0.46 -0.19 -1.35 2.76 -0.59 -1.23 115.15 115.89 2a7o h HIS 55 Ca 0.16 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2a7o h HIS 55 Cb 0.53 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 2a7o h HIS 55 CO 0.03 0.48 -0.14 1.25 -1.30 0.00 0.00 177.93 178.26 2a7o h LEU 56 N 0.31 0.44 -0.92 0.26 6.46 -0.56 -0.69 115.31 120.62 2a7o h LEU 56 Ca 0.09 -0.45 0.09 0.00 -0.12 0.00 0.00 57.88 57.50 2a7o h LEU 56 Cb 0.23 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 2a7o h LEU 56 CO -0.00 0.80 0.56 0.00 -0.62 0.00 0.00 178.44 179.18 2a7o h ALA 57 N 0.66 1.33 -0.12 1.25 0.00 -0.49 0.15 119.26 122.03 2a7o h ALA 57 Ca 0.04 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2a7o h ALA 57 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2a7o h ALA 57 CO 0.04 0.22 -0.74 0.07 0.00 0.00 0.00 179.25 178.84 2a7o h ARG 58 N 0.95 0.60 -0.15 0.00 0.11 -1.16 -1.28 114.38 113.45 2a7o h ARG 58 Ca 0.43 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2a7o h ARG 58 Cb 0.35 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 2a7o h ARG 58 CO -0.23 1.10 0.09 -0.22 0.10 0.00 0.00 179.97 180.81 2a7o h LYS 59 N 0.41 0.18 -0.42 0.08 3.11 0.09 -0.29 116.57 119.74 2a7o h LYS 59 Ca -0.04 -0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.66 2a7o h LYS 59 Cb 1.33 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 2a7o h LYS 59 CO 0.14 0.12 -0.26 -0.07 -2.81 0.00 0.00 179.45 176.57 2a7o h LEU 60 N 0.19 0.91 -0.74 5.20 3.38 -0.71 0.36 115.31 123.89 2a7o h LEU 60 Ca 0.06 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2a7o h LEU 60 Cb -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 2a7o h LEU 60 CO -0.02 1.12 0.46 0.74 0.09 0.00 0.00 178.44 180.82 2a7o h THR 61 N 0.75 1.09 -0.29 0.22 2.02 -1.00 -1.12 112.91 114.58 2a7o h THR 61 Ca 0.09 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 2a7o h THR 61 Cb 0.82 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2a7o h THR 61 CO 0.07 0.16 -0.35 -0.74 0.37 0.00 0.00 175.52 175.03 2a7o h HIS 62 N 0.89 0.77 -0.23 3.16 -0.00 -0.36 -1.07 115.15 118.31 2a7o h HIS 62 Ca 0.30 -0.21 -0.20 0.00 -0.00 0.00 0.00 60.37 60.26 2a7o h HIS 62 Cb 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2a7o h HIS 62 CO -0.04 0.92 -0.64 0.78 -0.00 0.00 0.00 177.93 178.94 2a7o h GLY 63 N 1.00 0.91 1.27 5.26 0.00 -0.40 -0.33 103.07 110.78 2a7o h GLY 63 Ca 0.06 -1.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.11 2a7o h GLY 63 CO 0.07 1.03 -0.24 -2.08 0.00 0.00 0.00 176.54 175.33 2a7o h VAL 64 N 0.61 1.27 0.37 4.60 2.07 -1.08 0.16 116.25 124.24 2a7o h VAL 64 Ca -0.01 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2a7o h VAL 64 Cb 1.26 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2a7o h VAL 64 CO 0.14 0.46 -0.18 -0.03 0.02 0.00 0.00 177.57 177.98 2a7o h MET 65 N 0.72 -0.47 -0.03 1.57 -1.53 -1.14 -0.86 114.93 113.18 2a7o h MET 65 Ca 0.09 0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.30 2a7o h MET 65 Cb 0.77 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.91 2a7o h MET 65 CO 0.06 -0.29 -0.41 -0.91 0.14 0.00 0.00 176.91 175.50 2a7o h ASN 66 N -0.53 0.06 -0.18 1.39 2.35 -0.95 0.17 115.58 117.89 2a7o h ASN 66 Ca -0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2a7o h ASN 66 Cb 0.40 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2a7o h ASN 66 CO 0.08 0.47 0.11 0.50 -1.65 0.00 0.00 177.43 176.94 2a7o h LYS 67 N 0.05 0.24 0.05 0.81 3.64 -0.30 0.04 116.57 121.10 2a7o h LYS 67 Ca 0.00 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 2a7o h LYS 67 Cb 0.76 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2a7o h LYS 67 CO 0.06 0.19 -1.13 1.05 -2.27 0.00 0.00 179.45 177.35 2a7o h GLU 68 N 0.22 0.11 -0.26 1.90 4.11 -0.86 0.21 114.58 120.00 2a7o h GLU 68 Ca 0.06 -0.19 0.04 0.00 0.07 0.00 0.00 59.36 59.35 2a7o h GLU 68 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2a7o h GLU 68 CO -0.01 1.07 0.18 -0.07 0.07 0.00 0.00 179.01 180.25 2a7o h LEU 69 N 0.03 0.13 0.07 3.06 -0.00 -0.52 0.54 115.31 118.62 2a7o h LEU 69 Ca -0.07 -0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.52 2a7o h LEU 69 Cb 1.86 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 42.47 2a7o h LEU 69 CO 0.16 0.09 -1.45 0.07 -0.00 0.00 0.00 178.44 177.31 2a7o h LYS 70 N 0.15 0.15 -0.50 1.13 2.10 -0.75 -2.36 116.57 116.48 2a7o h LYS 70 Ca 0.12 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2a7o h LYS 70 Cb 0.27 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2a7o h LYS 70 CO -0.02 0.97 0.00 0.66 -2.00 0.00 0.00 179.45 179.06 2a7o n TYR 71 N -3.35 1.10 0.01 0.07 4.01 0.04 -4.46 117.16 114.58 2a7o n TYR 71 Ca -0.13 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 2a7o n TYR 71 Cb 1.02 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 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 -2.70 0.00 -3.27 0.00 5.02 -0.89 -4.87 118.16 111.45 2a7o n LYS 73 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2a7o n LYS 73 Cb 0.15 -0.38 -0.08 0.00 -0.02 0.00 0.00 35.03 34.70 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 6.21 0.00 4.39 -0.87 -1.26 -4.92 114.94 118.49 2a7o s ASN 74 Ca 0.00 -0.72 0.19 0.00 -1.57 0.00 0.00 52.86 50.77 2a7o s ASN 74 Cb 0.00 -2.24 1.09 0.00 -0.02 0.00 0.00 41.25 40.08 2a7o s ASN 74 CO 0.00 -0.66 1.57 -0.81 -2.57 0.00 0.00 177.10 174.63 2a7o n PRO 75 N 5.74 0.49 0.32 -0.60 -0.04 -1.26 -1.35 135.00 138.29 2a7o n PRO 75 Ca -0.07 0.04 0.20 0.00 -0.04 0.00 0.00 63.50 63.63 2a7o n PRO 75 Cb 0.47 -1.50 1.09 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.00 0.54 4.81 -1.92 -1.44 114.58 116.57 2a7o h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2a7o h GLU 76 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2a7o h GLU 76 CO 0.00 0.01 -0.96 -0.25 -0.73 0.00 0.00 179.01 177.08 2a7o n ASP 77 N -3.34 0.98 -4.54 1.04 8.00 -0.46 -4.76 116.55 113.47 2a7o n ASP 77 Ca -0.03 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.07 2a7o n ASP 77 Cb 0.09 0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 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 -2.96 3.30 -0.03 0.64 2.96 -0.54 -4.89 118.68 117.16 2a7o s LEU 78 Ca 0.08 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2a7o s LEU 78 Cb 0.15 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2a7o s LEU 78 CO 0.84 -1.78 0.22 -0.70 -1.32 0.00 0.00 176.35 173.60 2a7o s GLU 79 N 5.53 0.49 -1.33 1.98 2.56 -1.26 -4.73 118.70 121.94 2a7o s GLU 79 Ca 0.34 -0.15 -0.12 0.00 0.00 0.00 0.00 54.97 55.04 2a7o s GLU 79 Cb -0.08 0.21 0.12 0.00 2.00 0.00 0.00 34.13 36.38 2a7o s GLU 79 CO 0.13 -0.11 1.91 0.00 -0.56 0.00 0.00 175.26 176.63 2a7o n ASN 81 N 5.11 1.57 -0.09 0.00 0.23 -1.26 -4.82 115.26 116.00 2a7o n ASN 81 Ca 0.44 -2.16 -0.06 0.00 -0.53 0.00 0.00 54.58 52.26 2a7o n ASN 81 Cb 0.39 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 -0.12 -0.21 -3.83 3.07 -1.98 0.59 114.58 112.10 2a7o h GLU 82 Ca -0.22 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.69 2a7o h GLU 82 Cb 0.98 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.88 2a7o h GLU 82 CO 0.30 -0.08 -0.05 -0.97 -1.40 0.00 0.00 179.01 176.81 2a7o h ASN 83 N -0.12 -0.20 -0.31 1.42 -0.73 -1.95 0.23 115.58 113.92 2a7o h ASN 83 Ca 0.17 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 2a7o h ASN 83 Cb 0.38 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 2a7o h ASN 83 CO -0.41 -0.07 0.13 0.58 -0.37 0.00 0.00 177.43 177.29 2a7o h VAL 84 N -0.00 1.17 -0.57 2.57 2.07 -1.56 -1.40 116.25 118.52 2a7o h VAL 84 Ca 0.10 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2a7o h VAL 84 Cb 0.15 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2a7o h VAL 84 CO -0.22 0.18 0.25 0.11 0.02 0.00 0.00 177.57 177.91 2a7o h LYS 85 N 0.36 0.44 0.04 1.57 1.57 0.54 0.40 116.57 121.49 2a7o h LYS 85 Ca 0.10 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2a7o h LYS 85 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2a7o h LYS 85 CO -0.01 0.29 -0.11 1.25 -0.57 0.00 0.00 179.45 180.31 2a7o h HIS 86 N 0.46 -0.27 -0.27 -1.35 2.76 -0.21 0.69 115.15 116.95 2a7o h HIS 86 Ca 0.28 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2a7o h HIS 86 Cb 0.28 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2a7o h HIS 86 CO -0.14 -0.16 0.11 0.87 -1.30 0.00 0.00 177.93 177.31 2a7o h LYS 87 N -0.20 0.38 0.35 5.26 1.57 -0.47 -1.79 116.57 121.66 2a7o h LYS 87 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 87 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2a7o h LYS 87 CO -0.08 0.32 -0.17 1.15 -0.57 0.00 0.00 179.45 180.10 2a7o h THR 88 N 0.38 0.00 -0.18 -0.16 2.02 0.07 0.75 112.91 115.79 2a7o h THR 88 Ca 0.10 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2a7o h THR 88 Cb 0.08 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2a7o h THR 88 CO -0.01 0.00 -0.02 0.07 0.37 0.00 0.00 175.52 175.93 2a7o h LYS 89 N -1.05 0.27 -0.37 6.66 5.09 -0.83 0.41 116.57 126.74 2a7o h LYS 89 Ca -0.05 -0.04 -0.14 0.00 0.09 0.00 0.00 60.65 60.51 2a7o h LYS 89 Cb 0.36 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 2a7o h LYS 89 CO 0.08 0.31 -0.33 0.93 -2.09 0.00 0.00 179.45 178.35 2a7o h GLU 90 N 0.26 0.84 -0.16 0.07 4.39 -1.35 -1.32 114.58 117.32 2a7o h GLU 90 Ca 0.06 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2a7o h GLU 90 Cb 0.22 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2a7o h GLU 90 CO 0.01 1.05 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.94 2a7o h TYR 91 N 0.70 0.35 -0.05 4.33 3.20 0.74 -1.78 116.97 124.46 2a7o h TYR 91 Ca 0.07 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 91 Cb 0.89 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 2a7o h TYR 91 CO 0.05 0.60 -0.45 0.82 -1.64 0.00 0.00 178.16 177.53 2a7o h ILE 92 N 0.01 0.11 -0.49 1.81 1.08 -0.19 0.48 117.51 120.31 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 0.49 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2a7o h ILE 92 CO 0.02 0.00 0.29 0.07 -0.69 0.00 0.00 178.15 177.84 2a7o h LYS 93 N -0.57 0.57 -0.22 2.37 5.09 -1.20 0.18 116.57 122.79 2a7o h LYS 93 Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 60.65 60.67 2a7o h LYS 93 Cb 0.66 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.85 2a7o h LYS 93 CO -0.36 0.38 -0.24 -0.22 -2.09 0.00 0.00 179.45 176.92 2a7o h LYS 94 N 0.59 0.41 0.14 0.07 3.11 -0.77 -1.43 116.57 118.69 2a7o h LYS 94 Ca 0.20 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2a7o h LYS 94 Cb 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2a7o h LYS 94 CO -0.09 0.63 -0.07 -0.92 -2.81 0.00 0.00 179.45 176.20 2a7o h TYR 95 N 0.37 -0.17 0.00 1.91 3.20 0.80 -2.84 116.97 120.24 2a7o h TYR 95 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2a7o h TYR 95 Cb 0.62 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2a7o h TYR 95 CO 0.02 0.11 -0.04 0.52 -1.64 0.00 0.00 178.16 177.13 2a7o h MET 96 N -0.44 0.00 0.00 1.82 2.86 -0.00 -0.10 114.93 119.07 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 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2a7o h MET 96 CO 0.03 0.04 0.00 1.96 1.06 0.00 0.00 176.91 180.00 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.03 -2.06 115.11 114.83 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 0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2a7o h GLN 97 CO 0.00 0.00 -0.31 1.57 -0.95 0.00 0.00 178.83 179.14 2a7o h LYS 98 N 0.00 0.00 -0.01 1.46 2.10 -1.07 -3.32 116.57 115.73 2a7o h LYS 98 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 2a7o h LYS 98 Cb 0.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.60 2a7o h LYS 98 CO 0.00 0.16 -1.02 0.74 -2.00 0.00 0.00 179.45 177.33 2a7o h PHE 99 N 0.00 1.04 0.00 0.07 0.04 -1.50 -3.50 116.94 113.10 2a7o h PHE 99 Ca -0.01 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.20 2a7o h PHE 99 Cb 1.14 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.17 2a7o h PHE 99 CO 0.00 1.40 0.00 0.41 -0.60 0.00 0.00 178.31 179.52 2a7o n GLY 100 N 1.07 0.70 0.10 -1.45 0.00 -1.24 -4.46 105.19 99.91 2a7o n GLY 100 Ca -0.11 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 -2.50 4.61 0.00 -1.92 0.31 119.26 119.76 2a7o h ALA 101 Ca 0.00 -0.54 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2a7o h ALA 101 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2a7o h ALA 101 CO 0.00 0.16 -0.78 0.14 0.00 0.00 0.00 179.25 178.77 2a7o s VAL 102 N -2.80 2.37 -0.56 0.00 -7.23 -1.26 -0.34 120.40 110.58 2a7o s VAL 102 Ca -0.16 -2.28 -0.28 0.00 -1.81 0.00 0.00 61.98 57.45 2a7o s VAL 102 Cb 0.00 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2a7o s VAL 102 CO 0.76 -0.33 1.27 -0.47 -0.31 0.00 0.00 175.10 176.02 2a7o s TYR 103 N -2.30 2.50 -0.62 2.82 5.04 0.12 -4.53 117.35 120.38 2a7o s TYR 103 Ca 0.26 0.45 0.03 0.00 -2.44 0.00 0.00 57.07 55.38 2a7o s TYR 103 Cb -0.06 -4.47 0.15 0.00 0.35 0.00 0.00 41.96 37.94 2a7o s TYR 103 CO 0.13 -1.72 0.39 -1.59 -1.34 0.00 0.00 175.55 171.42 2a7o s LYS 104 N 5.12 2.30 0.56 4.97 -2.85 -1.26 -4.62 119.74 123.95 2a7o s LYS 104 Ca 0.47 -2.89 0.29 0.00 -1.00 0.00 0.00 55.97 52.84 2a7o s LYS 104 Cb -0.09 -3.45 1.64 0.00 -2.06 0.00 0.00 37.83 33.87 2a7o s LYS 104 CO 0.26 -1.18 2.16 -1.00 0.10 0.00 0.00 175.35 175.68 2a7o h PRO 105 N 6.18 0.00 0.00 1.78 0.13 -1.98 0.12 132.00 138.23 2a7o h PRO 105 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2a7o h PRO 105 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2a7o h PRO 105 CO 0.71 0.07 -0.04 1.57 -0.23 0.00 0.00 178.00 180.08 2a7o h LYS 106 N 0.00 0.00 -0.44 0.86 2.10 -2.02 -1.63 116.57 115.44 2a7o h LYS 106 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2a7o h LYS 106 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2a7o h LYS 106 CO 0.01 0.04 0.00 0.39 -2.00 0.00 0.00 179.45 177.89 2a7o n GLU 107 N -3.60 3.36 -1.08 0.07 -0.58 0.41 -5.00 120.64 114.22 2a7o n GLU 107 Ca -0.02 -2.70 -0.29 0.00 -0.42 0.00 0.00 57.16 53.73 2a7o n GLU 107 Cb 0.14 -1.76 0.21 0.00 -0.57 0.00 0.00 31.44 29.46 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2a7o s ASP 108 N -1.27 1.77 0.00 1.62 2.15 -0.61 -4.94 116.67 115.38 2a7o s ASP 108 Ca 0.42 0.99 0.08 0.00 0.43 0.00 0.00 52.55 54.46 2a7o s ASP 108 Cb 0.29 -1.51 0.46 0.00 -0.30 0.00 0.00 42.92 41.86 2a7o s ASP 108 CO 0.16 -3.64 0.92 1.07 -0.17 0.00 0.00 175.17 173.51