#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 0.16 -0.05 3.42 7.64 -1.26 -2.95 113.62 120.58 2a7o n SER 11 Ca 0.00 0.53 -0.11 0.00 1.01 0.00 0.00 58.87 60.30 2a7o n SER 11 Cb 0.00 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.26 0.77 6.43 4.64 -2.02 -0.59 113.55 123.05 2a7o h SER 12 Ca 0.00 -0.23 -0.24 0.00 -0.47 0.00 0.00 61.79 60.85 2a7o h SER 12 Cb 0.33 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2a7o h SER 12 CO 0.00 0.42 -1.11 1.05 -0.87 0.00 0.00 176.83 176.33 2a7o h GLU 13 N 0.09 0.16 -0.54 4.77 4.11 -1.98 -2.74 114.58 118.45 2a7o h GLU 13 Ca 0.05 -0.26 -0.03 0.00 0.07 0.00 0.00 59.36 59.20 2a7o h GLU 13 Cb 0.26 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2a7o h GLU 13 CO 0.00 1.11 0.23 1.25 0.07 0.00 0.00 179.01 181.67 2a7o h LEU 14 N 0.05 0.70 -0.25 3.06 5.85 -1.50 -1.85 115.31 121.38 2a7o h LEU 14 Ca -0.08 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 2a7o h LEU 14 Cb 1.84 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2a7o h LEU 14 CO 0.17 0.62 -0.60 0.00 -0.34 0.00 0.00 178.44 178.29 2a7o h ALA 15 N 1.48 0.68 -0.42 1.25 0.00 -1.07 0.13 119.26 121.31 2a7o h ALA 15 Ca 0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2a7o h ALA 15 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2a7o h ALA 15 CO -0.02 0.75 0.23 0.87 0.00 0.00 0.00 179.25 181.08 2a7o h LYS 16 N 0.00 0.58 0.17 0.00 1.57 -1.02 0.75 116.57 118.63 2a7o h LYS 16 Ca -0.01 -0.05 -0.26 0.00 -1.87 0.00 0.00 60.65 58.46 2a7o h LYS 16 Cb 1.36 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.57 2a7o h LYS 16 CO 0.08 0.43 -1.17 0.87 -0.57 0.00 0.00 179.45 179.08 2a7o h LYS 17 N 0.59 0.37 -0.33 3.15 6.56 -1.39 -3.34 116.57 122.17 2a7o h LYS 17 Ca 0.15 -0.62 -0.05 0.00 -1.06 0.00 0.00 60.65 59.06 2a7o h LYS 17 Cb 0.02 0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2a7o h LYS 17 CO -0.03 1.30 -0.00 0.66 -2.06 0.00 0.00 179.45 179.32 2a7o h SER 18 N -0.18 0.57 -0.80 0.86 4.64 -0.10 -0.86 113.55 117.68 2a7o h SER 18 Ca -0.22 -0.31 0.11 0.00 -0.47 0.00 0.00 61.79 60.91 2a7o h SER 18 Cb 1.84 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.72 2a7o h SER 18 CO 0.17 0.74 0.52 0.11 -0.87 0.00 0.00 176.83 177.51 2a7o h LYS 19 N 0.39 0.64 0.01 4.77 1.57 -1.07 0.60 116.57 123.47 2a7o h LYS 19 Ca 0.09 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 19 Cb 0.45 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2a7o h LYS 19 CO 0.02 0.42 -0.39 0.93 -0.57 0.00 0.00 179.45 179.86 2a7o h GLU 20 N 0.66 0.25 -0.77 3.15 5.08 -1.53 0.23 114.58 121.65 2a7o h GLU 20 Ca 0.38 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2a7o h GLU 20 Cb 0.57 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2a7o h GLU 20 CO -0.15 1.00 0.38 0.28 -1.00 0.00 0.00 179.01 179.53 2a7o h VAL 21 N -0.38 1.24 0.23 3.13 2.07 -0.75 -0.05 116.25 121.74 2a7o h VAL 21 Ca -0.05 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2a7o h VAL 21 Cb 1.15 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2a7o h VAL 21 CO 0.08 0.29 -0.11 0.15 0.02 0.00 0.00 177.57 177.99 2a7o h PHE 22 N 1.08 -0.28 -0.13 1.57 3.57 0.22 -1.05 116.94 121.93 2a7o h PHE 22 Ca 0.27 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.80 2a7o h PHE 22 Cb 0.11 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2a7o h PHE 22 CO 0.01 -0.00 0.09 0.07 -2.23 0.00 0.00 178.31 176.25 2a7o h ARG 23 N -0.56 0.00 -0.19 1.11 -0.00 -0.33 0.30 114.38 114.71 2a7o h ARG 23 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.83 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 0.05 0.00 -0.35 0.87 -0.00 0.00 0.00 179.97 180.54 2a7o h LYS 24 N 0.00 0.57 -0.25 0.08 1.57 -0.31 0.20 116.57 118.43 2a7o h LYS 24 Ca 0.06 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2a7o h LYS 24 Cb 0.24 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2a7o h LYS 24 CO -0.00 0.98 0.05 0.93 -0.57 0.00 0.00 179.45 180.84 2a7o h GLU 25 N 0.24 0.40 -0.53 3.15 4.39 -0.41 -0.50 114.58 121.33 2a7o h GLU 25 Ca 0.01 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2a7o h GLU 25 Cb 0.95 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2a7o h GLU 25 CO 0.08 0.52 -0.08 1.98 -1.16 0.00 0.00 179.01 180.34 2a7o h MET 26 N 0.22 0.96 -0.73 2.33 4.05 -0.97 0.14 114.93 120.93 2a7o h MET 26 Ca 0.08 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2a7o h MET 26 Cb 0.30 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 2a7o h MET 26 CO 0.00 0.99 0.37 0.77 0.23 0.00 0.00 176.91 179.28 2a7o h SER 27 N 0.86 0.94 -0.18 1.39 0.02 -0.33 0.38 113.55 116.64 2a7o h SER 27 Ca 0.14 -0.12 -0.22 0.00 -0.84 0.00 0.00 61.79 60.76 2a7o h SER 27 Cb 0.62 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.93 2a7o h SER 27 CO 0.04 0.80 -0.73 0.06 -1.14 0.00 0.00 176.83 175.86 2a7o h GLN 28 N 1.02 0.82 0.19 3.45 3.07 -0.69 0.32 115.11 123.29 2a7o h GLN 28 Ca 0.25 -0.63 -0.01 0.00 0.09 0.00 0.00 58.65 58.35 2a7o h GLN 28 Cb 0.09 0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.77 2a7o h GLN 28 CO -0.04 1.25 -0.09 0.35 0.09 0.00 0.00 178.83 180.39 2a7o h PHE 29 N 0.57 -0.23 -0.60 0.06 3.57 -0.51 0.13 116.94 119.93 2a7o h PHE 29 Ca -0.04 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 2a7o h PHE 29 Cb 1.36 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 2a7o h PHE 29 CO 0.08 -0.14 0.25 0.82 -2.23 0.00 0.00 178.31 177.10 2a7o h ILE 30 N -0.25 1.23 -0.37 1.41 2.04 -0.08 0.10 117.51 121.58 2a7o h ILE 30 Ca -0.03 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.21 2a7o h ILE 30 Cb 0.19 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2a7o h ILE 30 CO 0.04 0.27 0.01 0.58 0.00 0.00 0.00 178.15 179.06 2a7o h VAL 31 N 0.84 0.74 -0.74 1.67 2.07 -0.17 0.45 116.25 121.10 2a7o h VAL 31 Ca 0.20 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2a7o h VAL 31 Cb 0.18 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2a7o h VAL 31 CO -0.02 0.02 0.48 -0.61 0.02 0.00 0.00 177.57 177.46 2a7o h GLN 32 N 0.12 0.93 -0.39 1.57 -0.00 -0.02 0.25 115.11 117.57 2a7o h GLN 32 Ca 0.18 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.68 2a7o h GLN 32 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 2a7o h GLN 32 CO -0.29 0.62 -0.15 0.00 0.00 0.00 0.00 178.83 179.01 2a7o h LEU 34 N 0.65 0.00 -0.95 0.00 3.38 0.76 -3.36 115.31 115.79 2a7o h LEU 34 Ca 0.11 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.28 2a7o h LEU 34 Cb 0.62 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.19 2a7o h LEU 34 CO 0.04 0.17 -0.19 0.78 0.09 0.00 0.00 178.44 179.34 2a7o h ASN 35 N 0.00 -0.80 0.45 -0.43 2.35 -0.30 0.14 115.58 116.99 2a7o h ASN 35 Ca -0.00 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2a7o h ASN 35 Cb 1.14 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.07 2a7o h ASN 35 CO 0.02 -0.31 0.00 -0.81 -1.65 0.00 0.00 177.43 174.68 2a7o n PRO 36 N -5.57 0.06 0.04 0.81 -0.04 -1.26 -2.27 135.00 126.76 2a7o n PRO 36 Ca 0.16 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 64.02 2a7o n PRO 36 Cb 0.52 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 2a7o n PRO 36 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2a7o n TYR 37 N -1.73 0.82 1.42 0.54 4.02 0.45 -3.78 117.16 118.90 2a7o n TYR 37 Ca 0.02 0.26 0.14 0.00 -0.01 0.00 0.00 57.90 58.31 2a7o n TYR 37 Cb 0.15 -0.98 0.50 0.00 -0.02 0.00 0.00 39.34 38.99 2a7o n TYR 37 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 2a7o n ARG 38 N -2.74 1.21 -2.40 -0.72 1.85 -0.95 -0.11 116.66 112.81 2a7o n ARG 38 Ca -0.07 -0.66 -0.40 0.00 -1.00 0.00 0.00 57.85 55.72 2a7o n ARG 38 Cb 0.74 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.62 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 -2.24 4.49 0.00 2.89 -0.14 -1.20 -4.78 119.74 118.76 2a7o s LYS 39 Ca 0.32 1.85 0.08 0.00 -1.36 0.00 0.00 55.97 56.86 2a7o s LYS 39 Cb 0.20 -3.05 0.37 0.00 -1.68 0.00 0.00 37.83 33.67 2a7o s LYS 39 CO 0.42 0.06 1.24 -0.35 -0.76 0.00 0.00 175.35 175.95 2a7o n PRO 40 N 0.89 0.03 -0.01 -1.68 -0.04 -1.26 -1.26 135.00 131.66 2a7o n PRO 40 Ca 0.00 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2a7o n PRO 40 Cb 0.45 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.45 2.56 -4.69 3.54 2.03 -1.26 -4.92 116.55 112.36 2a7o n ASP 41 Ca 0.02 -1.85 -0.42 0.00 0.52 0.00 0.00 54.79 53.06 2a7o n ASP 41 Cb 0.09 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 7.82 0.25 -4.43 0.00 3.64 -1.90 -3.41 116.57 118.54 2a7o h LYS 43 Ca -0.39 -0.43 -0.54 0.00 -1.27 0.00 0.00 60.65 58.03 2a7o h LYS 43 Cb 1.18 0.16 -0.35 0.00 -0.41 0.00 0.00 32.23 32.81 2a7o h LYS 43 CO 0.90 1.11 -0.81 0.54 -2.27 0.00 0.00 179.45 178.92 2a7o s VAL 44 N -2.62 1.17 -0.85 2.00 0.11 -1.26 -4.11 120.40 114.85 2a7o s VAL 44 Ca -0.09 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.48 2a7o s VAL 44 Cb 0.07 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 2a7o s VAL 44 CO 0.85 0.38 0.72 0.61 -3.33 0.00 0.00 175.10 174.33 2a7o n GLY 45 N 4.47 0.02 3.67 6.54 0.00 0.88 -4.87 105.19 115.90 2a7o n GLY 45 Ca -0.17 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -5.78 4.21 -0.14 1.61 3.52 0.64 -4.24 118.95 118.77 2a7o s ARG 46 Ca 0.35 2.11 -0.29 0.00 -0.13 0.00 0.00 55.73 57.77 2a7o s ARG 46 Cb -0.16 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.39 2a7o s ARG 46 CO 0.44 -0.76 1.32 0.42 -0.81 0.00 0.00 175.30 175.90 2a7o s ILE 47 N 3.44 4.16 0.02 4.11 1.01 0.85 -0.02 121.20 134.78 2a7o s ILE 47 Ca 0.69 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 62.51 2a7o s ILE 47 Cb -0.33 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.06 2a7o s ILE 47 CO 0.28 -0.11 1.29 0.71 0.00 0.00 0.00 174.94 177.11 2a7o h THR 48 N 5.44 0.73 -3.62 2.92 1.35 -1.89 -3.43 112.91 114.41 2a7o h THR 48 Ca -0.29 -0.55 -0.47 0.00 -0.55 0.00 0.00 66.41 64.54 2a7o h THR 48 Cb 1.12 1.02 -0.19 0.00 -1.73 0.00 0.00 68.15 68.36 2a7o h THR 48 CO 0.96 0.11 -0.78 -0.89 -0.25 0.00 0.00 175.52 174.67 2a7o s THR 49 N -4.82 1.51 0.34 6.82 2.01 -1.26 -5.01 115.64 115.23 2a7o s THR 49 Ca -0.14 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.19 2a7o s THR 49 Cb 0.02 -1.56 0.26 0.00 0.01 0.00 0.00 72.50 71.24 2a7o s THR 49 CO 0.56 -0.29 2.00 0.00 -0.69 0.00 0.00 174.62 176.20 2a7o h THR 50 N 3.66 1.17 -0.42 -0.82 1.03 -1.98 0.20 112.91 115.74 2a7o h THR 50 Ca -0.42 -0.31 -0.06 0.00 -0.01 0.00 0.00 66.41 65.61 2a7o h THR 50 Cb 1.19 0.18 -0.02 0.00 -1.07 0.00 0.00 68.15 68.44 2a7o h THR 50 CO 0.47 0.17 0.02 -0.33 -0.01 0.00 0.00 175.52 175.84 2a7o h GLU 51 N 0.91 0.67 -0.27 0.00 4.39 -1.98 0.13 114.58 118.42 2a7o h GLU 51 Ca 0.25 -0.15 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 2a7o h GLU 51 Cb -0.10 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2a7o h GLU 51 CO -0.05 0.67 -0.57 -0.44 -1.16 0.00 0.00 179.01 177.45 2a7o h ASP 52 N 0.64 0.97 0.14 1.42 3.32 -1.63 -0.37 116.42 120.91 2a7o h ASP 52 Ca 0.13 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.65 2a7o h ASP 52 Cb 0.36 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2a7o h ASP 52 CO 0.01 1.34 -0.22 0.15 -1.72 0.00 0.00 179.24 178.80 2a7o h PHE 53 N 0.65 -0.57 -0.92 4.55 3.04 -0.14 0.46 116.94 124.01 2a7o h PHE 53 Ca 0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2a7o h PHE 53 Cb 1.19 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.88 2a7o h PHE 53 CO 0.08 -0.31 0.60 0.87 -2.02 0.00 0.00 178.31 177.52 2a7o h LYS 54 N -0.42 1.15 -0.11 1.11 1.57 -0.67 0.20 116.57 119.39 2a7o h LYS 54 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2a7o h LYS 54 Cb 0.43 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2a7o h LYS 54 CO -0.10 0.76 0.03 1.25 -0.57 0.00 0.00 179.45 180.82 2a7o h HIS 55 N 1.19 0.19 -0.10 -1.35 2.76 -0.69 -1.36 115.15 115.79 2a7o h HIS 55 Ca 0.35 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 2a7o h HIS 55 Cb -0.05 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 2a7o h HIS 55 CO -0.01 0.34 -0.01 1.25 -1.30 0.00 0.00 177.93 178.20 2a7o h LEU 56 N -0.01 0.18 -0.85 0.26 6.46 -0.59 -1.17 115.31 119.58 2a7o h LEU 56 Ca 0.04 -0.33 0.10 0.00 -0.12 0.00 0.00 57.88 57.57 2a7o h LEU 56 Cb 0.24 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.05 2a7o h LEU 56 CO 0.00 0.47 0.50 0.00 -0.62 0.00 0.00 178.44 178.78 2a7o h ALA 57 N 0.72 1.23 -0.20 1.25 0.00 -0.53 0.18 119.26 121.91 2a7o h ALA 57 Ca 0.03 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2a7o h ALA 57 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2a7o h ALA 57 CO 0.01 0.12 -0.65 0.07 0.00 0.00 0.00 179.25 178.80 2a7o h ARG 58 N 0.82 0.74 -0.47 0.00 0.11 -1.15 -1.43 114.38 113.01 2a7o h ARG 58 Ca 0.41 -0.53 -0.06 0.00 0.10 0.00 0.00 59.98 59.91 2a7o h ARG 58 Cb 0.38 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 2a7o h ARG 58 CO -0.25 1.15 0.08 -0.22 0.10 0.00 0.00 179.97 180.82 2a7o h LYS 59 N 0.54 0.78 -0.66 0.08 3.64 0.06 -0.67 116.57 120.34 2a7o h LYS 59 Ca -0.01 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 2a7o h LYS 59 Cb 1.25 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2a7o h LYS 59 CO 0.13 0.79 0.12 -0.07 -2.27 0.00 0.00 179.45 178.15 2a7o h LEU 60 N 0.65 1.03 -0.72 5.20 3.38 -0.65 0.14 115.31 124.33 2a7o h LEU 60 Ca 0.14 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2a7o h LEU 60 Cb 0.39 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2a7o h LEU 60 CO 0.01 1.02 0.42 0.74 0.09 0.00 0.00 178.44 180.71 2a7o h THR 61 N 1.00 0.98 -0.19 0.22 2.02 -1.06 -1.30 112.91 114.58 2a7o h THR 61 Ca 0.20 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 2a7o h THR 61 Cb 0.42 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2a7o h THR 61 CO 0.01 0.14 -0.48 -0.74 0.37 0.00 0.00 175.52 174.82 2a7o h HIS 62 N 0.76 0.61 -0.07 3.16 -0.00 0.00 -2.06 115.15 117.56 2a7o h HIS 62 Ca 0.33 -0.20 -0.24 0.00 -0.00 0.00 0.00 60.37 60.26 2a7o h HIS 62 Cb 0.20 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2a7o h HIS 62 CO -0.07 0.88 -0.90 0.78 -0.00 0.00 0.00 177.93 178.63 2a7o h GLY 63 N 1.11 0.73 1.11 5.26 0.00 -0.22 -0.89 103.07 110.17 2a7o h GLY 63 Ca 0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 47.33 46.11 2a7o h GLY 63 CO 0.09 1.02 0.02 -2.08 0.00 0.00 0.00 176.54 175.59 2a7o h VAL 64 N 0.41 1.26 0.21 4.60 2.07 -1.21 -1.44 116.25 122.16 2a7o h VAL 64 Ca -0.08 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2a7o h VAL 64 Cb 1.53 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2a7o h VAL 64 CO 0.17 0.41 -0.11 -0.03 0.02 0.00 0.00 177.57 178.04 2a7o h MET 65 N 0.98 -0.29 -0.48 1.57 -1.53 -1.33 -0.83 114.93 113.01 2a7o h MET 65 Ca 0.18 0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.38 2a7o h MET 65 Cb 0.53 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 2a7o h MET 65 CO 0.03 -0.19 -0.02 -0.91 0.14 0.00 0.00 176.91 175.96 2a7o h ASN 66 N -0.30 0.79 -0.38 1.39 2.35 -1.04 0.75 115.58 119.14 2a7o h ASN 66 Ca -0.03 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 2a7o h ASN 66 Cb 0.23 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2a7o h ASN 66 CO 0.04 0.87 -0.30 0.11 -1.65 0.00 0.00 177.43 176.49 2a7o h LYS 67 N 0.76 0.91 0.04 0.81 1.57 -0.94 -0.26 116.57 119.47 2a7o h LYS 67 Ca 0.14 -0.43 -0.25 0.00 -1.87 0.00 0.00 60.65 58.25 2a7o h LYS 67 Cb 0.48 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2a7o h LYS 67 CO 0.02 1.09 -1.05 1.05 -0.57 0.00 0.00 179.45 179.99 2a7o h GLU 68 N 0.77 0.41 -0.44 3.15 4.11 -0.96 -1.00 114.58 120.61 2a7o h GLU 68 Ca 0.08 -0.50 0.08 0.00 0.07 0.00 0.00 59.36 59.10 2a7o h GLU 68 Cb 0.88 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2a7o h GLU 68 CO 0.08 1.16 0.30 -0.07 0.07 0.00 0.00 179.01 180.55 2a7o h LEU 69 N 0.20 0.22 0.00 3.06 3.38 -0.73 0.80 115.31 122.24 2a7o h LEU 69 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2a7o h LEU 69 Cb 1.71 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 2a7o h LEU 69 CO 0.18 0.14 -0.93 0.07 0.09 0.00 0.00 178.44 177.99 2a7o h LYS 70 N 0.25 0.00 0.00 1.13 2.10 -0.76 -1.50 116.57 117.79 2a7o h LYS 70 Ca 0.20 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.60 2a7o h LYS 70 Cb 0.47 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.76 2a7o h LYS 70 CO -0.04 0.71 -1.64 0.66 -2.00 0.00 0.00 179.45 177.14 2a7o n TYR 71 N -3.24 0.94 -0.08 0.07 4.01 -0.40 -4.41 117.16 114.06 2a7o n TYR 71 Ca -0.02 0.33 -0.20 0.00 -0.16 0.00 0.00 57.90 57.86 2a7o n TYR 71 Cb 0.87 -1.14 -0.12 0.00 -0.31 0.00 0.00 39.34 38.63 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a7o n LYS 73 N -4.37 0.00 -3.75 0.00 4.76 -0.56 -4.93 118.16 109.31 2a7o n LYS 73 Ca -0.26 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.89 2a7o n LYS 73 Cb 0.68 -3.57 -0.16 0.00 -1.84 0.00 0.00 35.03 30.14 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a7o s ASN 74 N -2.47 3.38 0.00 4.39 0.02 -1.26 -5.01 114.94 113.99 2a7o s ASN 74 Ca 0.00 -1.12 0.19 0.00 -1.02 0.00 0.00 52.86 50.90 2a7o s ASN 74 Cb 0.00 -0.74 0.80 0.00 0.02 0.00 0.00 41.25 41.34 2a7o s ASN 74 CO 0.00 -0.33 1.59 -0.81 0.02 0.00 0.00 177.10 177.57 2a7o n PRO 75 N 4.95 0.02 0.00 -0.60 -0.04 -1.26 -1.19 135.00 136.87 2a7o n PRO 75 Ca -0.07 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2a7o n PRO 75 Cb 0.45 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.97 2a7o n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2a7o n GLU 76 N -1.49 0.45 -0.03 0.54 2.13 -1.26 -1.40 120.64 119.58 2a7o n GLU 76 Ca 0.05 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.96 2a7o n GLU 76 Cb 0.21 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.47 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 -1.16 1.83 -4.42 4.31 2.03 -0.34 -4.88 116.55 113.93 2a7o n ASP 77 Ca 0.12 -1.47 -0.44 0.00 0.52 0.00 0.00 54.79 53.52 2a7o n ASP 77 Cb 0.12 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.68 5.08 0.03 -2.67 2.96 -0.49 -4.98 118.68 117.93 2a7o s LEU 78 Ca 0.10 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.87 2a7o s LEU 78 Cb 0.06 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2a7o s LEU 78 CO 0.09 -1.06 -0.04 -0.70 -1.32 0.00 0.00 176.35 173.32 2a7o s GLU 79 N 2.83 0.37 -1.25 1.98 2.56 -1.26 -4.76 118.70 119.16 2a7o s GLU 79 Ca 0.15 -0.68 -0.11 0.00 0.00 0.00 0.00 54.97 54.33 2a7o s GLU 79 Cb -0.21 0.05 0.17 0.00 2.00 0.00 0.00 34.13 36.14 2a7o s GLU 79 CO 0.09 -0.04 1.68 0.00 -0.56 0.00 0.00 175.26 176.44 2a7o n ASN 81 N 4.54 1.35 -0.02 0.00 0.23 -1.26 -4.81 115.26 115.29 2a7o n ASN 81 Ca 0.38 -2.04 -0.10 0.00 -0.53 0.00 0.00 54.58 52.28 2a7o n ASN 81 Cb 0.39 -0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 37.62 2a7o n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2a7o h GLU 82 N 0.00 -0.38 -0.40 -3.83 4.22 -1.98 0.44 114.58 112.66 2a7o h GLU 82 Ca -0.24 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.30 2a7o h GLU 82 Cb 0.97 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 2a7o h GLU 82 CO 0.29 -0.25 0.03 -0.91 -2.18 0.00 0.00 179.01 175.99 2a7o h ASN 83 N -0.40 -0.09 0.06 1.04 2.35 -1.96 0.37 115.58 116.95 2a7o h ASN 83 Ca 0.10 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2a7o h ASN 83 Cb 0.56 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2a7o h ASN 83 CO -0.39 -0.01 -0.03 0.58 -1.65 0.00 0.00 177.43 175.93 2a7o h VAL 84 N 0.15 0.97 -0.48 2.81 2.07 -1.61 -1.46 116.25 118.70 2a7o h VAL 84 Ca 0.19 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2a7o h VAL 84 Cb 0.26 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2a7o h VAL 84 CO -0.30 0.02 0.18 0.11 0.02 0.00 0.00 177.57 177.61 2a7o h LYS 85 N -0.11 0.36 -0.08 1.57 1.57 0.57 0.54 116.57 120.99 2a7o h LYS 85 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2a7o h LYS 85 Cb 0.09 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2a7o h LYS 85 CO 0.01 0.24 -0.21 1.25 -0.57 0.00 0.00 179.45 180.17 2a7o h HIS 86 N 0.37 -0.56 0.00 -1.35 2.76 -0.01 0.13 115.15 116.49 2a7o h HIS 86 Ca 0.23 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 2a7o h HIS 86 Cb 0.22 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2a7o h HIS 86 CO -0.15 -0.29 -0.38 0.87 -1.30 0.00 0.00 177.93 176.68 2a7o h LYS 87 N -0.30 0.00 0.33 5.26 1.57 -0.69 -1.75 116.57 120.99 2a7o h LYS 87 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2a7o h LYS 87 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2a7o h LYS 87 CO -0.25 0.38 -0.16 1.15 -0.57 0.00 0.00 179.45 180.00 2a7o h THR 88 N 0.00 0.00 -0.34 -0.16 2.02 0.38 0.75 112.91 115.56 2a7o h THR 88 Ca -0.00 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2a7o h THR 88 Cb 0.70 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2a7o h THR 88 CO 0.05 0.00 0.13 0.07 0.37 0.00 0.00 175.52 176.14 2a7o h LYS 89 N -1.09 0.47 -0.35 6.66 5.09 -0.79 0.39 116.57 126.95 2a7o h LYS 89 Ca -0.05 -0.06 -0.12 0.00 0.09 0.00 0.00 60.65 60.51 2a7o h LYS 89 Cb 0.34 -0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2a7o h LYS 89 CO 0.08 0.40 -0.29 0.93 -2.09 0.00 0.00 179.45 178.48 2a7o h GLU 90 N 0.47 0.74 -0.11 0.07 4.39 -1.35 -1.13 114.58 117.66 2a7o h GLU 90 Ca 0.12 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 2a7o h GLU 90 Cb 0.10 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2a7o h GLU 90 CO -0.01 0.94 0.01 -0.92 -1.16 0.00 0.00 179.01 177.86 2a7o h TYR 91 N 0.63 0.20 -0.34 4.33 3.20 0.64 -1.85 116.97 123.79 2a7o h TYR 91 Ca 0.08 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2a7o h TYR 91 Cb 0.80 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 2a7o h TYR 91 CO 0.04 0.42 -0.24 0.82 -1.64 0.00 0.00 178.16 177.56 2a7o h ILE 92 N -0.07 0.37 -0.07 1.81 1.08 -0.18 0.42 117.51 120.86 2a7o h ILE 92 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2a7o h ILE 92 Cb 0.33 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 2a7o h ILE 92 CO 0.00 0.00 -0.43 0.11 -0.69 0.00 0.00 178.15 177.14 2a7o h LYS 93 N -0.20 -0.52 -0.26 2.37 1.57 -1.00 0.14 116.57 118.67 2a7o h LYS 93 Ca 0.17 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2a7o h LYS 93 Cb 0.46 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2a7o h LYS 93 CO -0.45 -0.35 -0.13 0.87 -0.57 0.00 0.00 179.45 178.82 2a7o h LYS 94 N -0.54 0.43 0.20 3.15 1.57 -0.62 -1.29 116.57 119.48 2a7o h LYS 94 Ca 0.06 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2a7o h LYS 94 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2a7o h LYS 94 CO -0.36 0.56 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.07 2a7o h TYR 95 N 0.40 -0.25 0.00 -1.35 3.20 0.44 -2.98 116.97 116.43 2a7o h TYR 95 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2a7o h TYR 95 Cb 0.47 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2a7o h TYR 95 CO 0.01 0.02 -0.05 0.52 -1.64 0.00 0.00 178.16 177.02 2a7o h MET 96 N -0.51 0.00 0.00 1.82 2.86 0.32 -1.29 114.93 118.14 2a7o h MET 96 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2a7o h MET 96 Cb 0.38 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2a7o h MET 96 CO 0.04 0.05 -0.04 1.96 1.06 0.00 0.00 176.91 179.99 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.12 -2.26 115.11 114.53 2a7o h GLN 97 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2a7o h GLN 97 Cb 0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2a7o h GLN 97 CO 0.01 0.04 -0.27 1.57 -0.95 0.00 0.00 178.83 179.23 2a7o h LYS 98 N 0.00 0.00 -0.08 1.46 2.10 -1.30 -3.18 116.57 115.57 2a7o h LYS 98 Ca -0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 2a7o h LYS 98 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2a7o h LYS 98 CO 0.01 0.27 -0.78 0.74 -2.00 0.00 0.00 179.45 177.69 2a7o h PHE 99 N 0.00 0.69 0.00 0.07 0.04 -1.55 -3.49 116.94 112.70 2a7o h PHE 99 Ca -0.00 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2a7o h PHE 99 Cb 1.02 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2a7o h PHE 99 CO 0.00 1.10 0.00 0.41 -0.60 0.00 0.00 178.31 179.22 2a7o n GLY 100 N 0.66 0.73 0.10 -1.45 0.00 -1.20 -4.40 105.19 99.63 2a7o n GLY 100 Ca -0.06 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.05 -3.88 4.61 0.00 -1.92 0.25 119.26 118.26 2a7o h ALA 101 Ca 0.00 -0.62 -0.69 0.00 0.00 0.00 0.00 54.91 53.60 2a7o h ALA 101 Cb 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.64 2a7o h ALA 101 CO 0.00 0.25 -0.86 0.14 0.00 0.00 0.00 179.25 178.78 2a7o s VAL 102 N -2.47 2.32 -0.44 0.00 -7.23 -1.26 -0.26 120.40 111.07 2a7o s VAL 102 Ca -0.15 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 2a7o s VAL 102 Cb -0.00 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2a7o s VAL 102 CO 0.79 0.09 1.28 -0.47 -0.31 0.00 0.00 175.10 176.47 2a7o s TYR 103 N -1.07 2.61 -0.57 2.82 5.04 0.98 -4.62 117.35 122.54 2a7o s TYR 103 Ca 0.14 0.70 0.04 0.00 -2.44 0.00 0.00 57.07 55.52 2a7o s TYR 103 Cb -0.10 -4.36 0.14 0.00 0.35 0.00 0.00 41.96 37.99 2a7o s TYR 103 CO 0.06 -1.62 0.32 -1.59 -1.34 0.00 0.00 175.55 171.38 2a7o s LYS 104 N 4.68 2.08 0.52 4.97 -2.85 -1.26 -4.48 119.74 123.40 2a7o s LYS 104 Ca 0.55 -2.80 0.22 0.00 -1.00 0.00 0.00 55.97 52.94 2a7o s LYS 104 Cb -0.11 -3.30 1.39 0.00 -2.06 0.00 0.00 37.83 33.76 2a7o s LYS 104 CO 0.32 -1.16 2.11 -1.00 0.10 0.00 0.00 175.35 175.72 2a7o h PRO 105 N 6.20 0.00 0.00 1.78 0.13 -1.98 0.17 132.00 138.29 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 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2a7o h PRO 105 CO 0.69 0.09 0.00 1.57 -0.23 0.00 0.00 178.00 180.12 2a7o h LYS 106 N 0.00 0.00 -0.15 0.86 -0.00 -2.03 -1.70 116.57 113.55 2a7o h LYS 106 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 2a7o h LYS 106 Cb 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 32.23 32.27 2a7o h LYS 106 CO 0.01 0.00 -0.66 0.39 -0.00 0.00 0.00 179.45 179.19 2a7o n GLU 107 N -2.59 1.71 -0.38 0.07 -0.58 0.57 -5.06 120.64 114.38 2a7o n GLU 107 Ca -0.02 -3.28 -0.15 0.00 -0.42 0.00 0.00 57.16 53.30 2a7o n GLU 107 Cb 0.08 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.58 2a7o n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2a7o n ASP 108 N -0.79 -2.05 0.00 1.62 2.03 -0.64 -4.88 116.55 111.84 2a7o n ASP 108 Ca 0.21 -0.70 0.15 0.00 0.52 0.00 0.00 54.79 54.97 2a7o n ASP 108 Cb 0.81 -0.49 0.87 0.00 -0.72 0.00 0.00 41.12 41.59 2a7o n ASP 108 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35