#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o h SER 11 N 0.00 0.00 0.20 3.42 0.02 -2.01 0.14 113.55 115.33 2a7o h SER 11 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2a7o h SER 11 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a7o h SER 11 CO 0.00 0.00 -0.10 0.77 -1.14 0.00 0.00 176.83 176.36 2a7o h SER 12 N 0.00 -0.23 0.42 3.07 4.64 -2.00 -2.34 113.55 117.11 2a7o h SER 12 Ca 0.00 -0.13 -0.31 0.00 -0.47 0.00 0.00 61.79 60.88 2a7o h SER 12 Cb 0.74 0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2a7o h SER 12 CO 0.00 -0.00 -1.39 1.05 -0.87 0.00 0.00 176.83 175.62 2a7o h GLU 13 N -0.46 0.42 -0.65 4.77 4.11 -1.91 -2.95 114.58 117.90 2a7o h GLU 13 Ca -0.03 -0.72 0.04 0.00 0.07 0.00 0.00 59.36 58.72 2a7o h GLU 13 Cb 0.35 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2a7o h GLU 13 CO 0.05 1.34 0.43 1.25 0.07 0.00 0.00 179.01 182.15 2a7o h LEU 14 N 0.11 0.66 -0.44 3.06 5.85 -0.81 -0.36 115.31 123.38 2a7o h LEU 14 Ca -0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2a7o h LEU 14 Cb 2.09 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2a7o h LEU 14 CO 0.24 0.45 -0.29 0.00 -0.34 0.00 0.00 178.44 178.51 2a7o n ALA 15 N -2.45 3.14 -0.11 1.25 0.00 -0.88 -0.21 120.51 121.24 2a7o n ALA 15 Ca 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 2a7o n ALA 15 Cb 0.14 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.55 2a7o n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a7o h LYS 16 N 1.08 0.84 0.08 0.00 1.63 -0.87 -2.63 116.57 116.70 2a7o h LYS 16 Ca 0.00 -0.32 -0.15 0.00 -0.85 0.00 0.00 60.65 59.33 2a7o h LYS 16 Cb 0.51 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2a7o h LYS 16 CO 0.00 0.95 -0.72 0.87 -3.45 0.00 0.00 179.45 177.10 2a7o h LYS 17 N 0.74 0.17 -0.64 1.90 6.56 -1.47 -3.38 116.57 120.45 2a7o h LYS 17 Ca 0.11 -0.29 0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2a7o h LYS 17 Cb 0.69 0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.42 2a7o h LYS 17 CO 0.05 1.14 0.42 1.03 -2.06 0.00 0.00 179.45 180.03 2a7o h SER 18 N -0.61 0.70 0.50 0.86 0.87 -0.60 -0.28 113.55 114.99 2a7o h SER 18 Ca -0.15 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 2a7o h SER 18 Cb 1.44 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2a7o h SER 18 CO 0.05 0.50 -0.41 0.11 -0.53 0.00 0.00 176.83 176.55 2a7o h LYS 19 N 0.82 0.00 0.00 2.24 1.57 -1.67 0.48 116.57 120.02 2a7o h LYS 19 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2a7o h LYS 19 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2a7o h LYS 19 CO -0.06 0.41 -0.00 0.93 -0.57 0.00 0.00 179.45 180.16 2a7o h GLU 20 N 0.00 -0.00 -0.69 3.15 4.39 -1.38 0.11 114.58 120.16 2a7o h GLU 20 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2a7o h GLU 20 Cb 0.77 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2a7o h GLU 20 CO 0.05 0.79 0.44 0.28 -1.16 0.00 0.00 179.01 179.42 2a7o h VAL 21 N -0.81 1.14 0.39 3.13 2.07 -0.92 -0.24 116.25 121.01 2a7o h VAL 21 Ca -0.00 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2a7o h VAL 21 Cb 0.80 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2a7o h VAL 21 CO 0.00 0.16 -0.19 0.15 0.02 0.00 0.00 177.57 177.71 2a7o h PHE 22 N 0.89 -0.49 -0.23 1.57 3.57 -0.05 -0.69 116.94 121.51 2a7o h PHE 22 Ca 0.26 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2a7o h PHE 22 Cb -0.05 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2a7o h PHE 22 CO -0.03 -0.27 0.16 0.07 -2.23 0.00 0.00 178.31 176.00 2a7o h ARG 23 N -0.59 0.19 -0.12 1.11 -0.00 -0.40 -0.34 114.38 114.24 2a7o h ARG 23 Ca -0.05 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.98 59.79 2a7o h ARG 23 Cb 0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 2a7o h ARG 23 CO 0.09 0.13 -0.40 0.87 -0.00 0.00 0.00 179.97 180.66 2a7o h LYS 24 N 0.20 0.49 0.14 0.08 1.57 -0.40 0.12 116.57 118.77 2a7o h LYS 24 Ca 0.10 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2a7o h LYS 24 Cb 0.14 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2a7o h LYS 24 CO -0.02 0.98 -0.07 0.93 -0.57 0.00 0.00 179.45 180.71 2a7o h GLU 25 N 0.09 -0.19 -0.09 3.15 4.39 -0.62 -1.26 114.58 120.05 2a7o h GLU 25 Ca -0.01 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2a7o h GLU 25 Cb 1.02 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2a7o h GLU 25 CO 0.08 -0.09 -0.29 1.98 -1.16 0.00 0.00 179.01 179.54 2a7o h MET 26 N -0.23 0.17 -0.74 2.33 4.05 -1.10 0.14 114.93 119.54 2a7o h MET 26 Ca -0.02 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 2a7o h MET 26 Cb 0.18 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 2a7o h MET 26 CO 0.03 0.45 0.44 0.77 0.23 0.00 0.00 176.91 178.83 2a7o h SER 27 N 0.15 0.89 -0.14 1.39 0.02 -0.32 0.37 113.55 115.92 2a7o h SER 27 Ca 0.02 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2a7o h SER 27 Cb 0.59 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2a7o h SER 27 CO 0.04 0.70 -0.02 1.56 -1.14 0.00 0.00 176.83 177.97 2a7o h GLN 28 N 1.01 0.26 -0.29 3.45 4.20 -0.03 0.21 115.11 123.92 2a7o h GLN 28 Ca 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2a7o h GLN 28 Cb -0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2a7o h GLN 28 CO -0.05 0.52 0.18 0.35 -0.67 0.00 0.00 178.83 179.16 2a7o h PHE 29 N -0.02 0.38 -0.40 2.96 3.57 -0.52 0.15 116.94 123.05 2a7o h PHE 29 Ca 0.04 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2a7o h PHE 29 Cb 0.41 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2a7o h PHE 29 CO 0.04 0.26 0.08 0.82 -2.23 0.00 0.00 178.31 177.29 2a7o h ILE 30 N 0.38 1.24 -0.60 1.41 2.04 -0.18 0.64 117.51 122.44 2a7o h ILE 30 Ca 0.11 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.24 2a7o h ILE 30 Cb -0.01 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2a7o h ILE 30 CO -0.02 0.29 0.20 0.58 0.00 0.00 0.00 178.15 179.20 2a7o h VAL 31 N 0.51 0.74 -0.56 1.67 2.07 -0.26 0.38 116.25 120.81 2a7o h VAL 31 Ca 0.12 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2a7o h VAL 31 Cb 0.34 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2a7o h VAL 31 CO 0.00 0.07 0.34 -0.61 0.02 0.00 0.00 177.57 177.39 2a7o h GLN 32 N 0.37 0.66 -0.31 1.57 4.15 -0.23 0.53 115.11 121.85 2a7o h GLN 32 Ca 0.31 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.59 2a7o h GLN 32 Cb 0.40 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2a7o h GLN 32 CO -0.32 0.43 -0.20 0.00 -1.93 0.00 0.00 178.83 176.81 2a7o h LEU 34 N 0.51 0.00 -0.99 0.00 3.38 0.28 -3.36 115.31 115.12 2a7o h LEU 34 Ca 0.08 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.24 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 0.18 -0.27 0.78 0.09 0.00 0.00 178.44 179.27 2a7o h ASN 35 N 0.00 -1.00 0.67 -0.43 2.35 -0.67 0.60 115.58 117.09 2a7o h ASN 35 Ca -0.00 0.30 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2a7o h ASN 35 Cb 1.14 0.64 0.00 0.00 0.05 0.00 0.00 38.32 40.15 2a7o h ASN 35 CO 0.02 -0.32 0.00 1.55 -1.65 0.00 0.00 177.43 177.03 2a7o h PRO 36 N -0.00 0.00 0.00 0.81 0.13 -1.76 -2.75 132.00 128.43 2a7o h PRO 36 Ca 0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.41 2a7o h PRO 36 Cb 0.71 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 2a7o h PRO 36 CO -1.02 0.00 -1.09 1.88 -0.23 0.00 0.00 178.00 177.54 2a7o h TYR 37 N 0.00 0.00 -0.00 1.56 -1.99 -1.15 -3.25 116.97 112.14 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 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2a7o h TYR 37 CO 0.00 0.72 -0.10 2.89 -0.00 0.00 0.00 178.16 181.66 2a7o n ARG 38 N -3.12 0.54 -3.09 4.88 1.85 -0.81 0.17 116.66 117.08 2a7o n ARG 38 Ca -0.05 -0.15 -0.33 0.00 -1.00 0.00 0.00 57.85 56.32 2a7o n ARG 38 Cb 0.86 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.72 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 -2.56 4.07 0.00 2.89 1.02 -1.23 -4.72 119.74 119.20 2a7o s LYS 39 Ca 0.27 0.76 0.17 0.00 0.02 0.00 0.00 55.97 57.18 2a7o s LYS 39 Cb 0.20 -2.46 0.91 0.00 -0.52 0.00 0.00 37.83 35.96 2a7o s LYS 39 CO 0.49 0.16 1.46 -0.35 -0.92 0.00 0.00 175.35 176.19 2a7o n PRO 40 N -0.26 0.35 0.00 -1.68 -0.04 -1.26 -1.50 135.00 130.61 2a7o n PRO 40 Ca 0.03 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2a7o n PRO 40 Cb 0.53 -1.50 0.15 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 -1.17 1.61 -4.70 3.54 2.03 -1.26 -4.90 116.55 111.70 2a7o n ASP 41 Ca 0.10 -1.26 -0.42 0.00 0.52 0.00 0.00 54.79 53.73 2a7o n ASP 41 Cb 0.10 0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 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 8.02 0.16 -4.28 0.00 1.57 -1.90 -3.43 116.57 116.72 2a7o h LYS 43 Ca -0.44 -0.28 -0.53 0.00 -1.87 0.00 0.00 60.65 57.54 2a7o h LYS 43 Cb 1.21 0.10 -0.36 0.00 0.08 0.00 0.00 32.23 33.26 2a7o h LYS 43 CO 0.93 0.93 -0.80 0.54 -0.57 0.00 0.00 179.45 180.47 2a7o s VAL 44 N -2.59 1.05 -0.58 0.50 0.11 -1.26 -4.32 120.40 113.32 2a7o s VAL 44 Ca -0.13 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2a7o s VAL 44 Cb 0.07 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2a7o s VAL 44 CO 0.81 0.37 0.49 0.61 -3.33 0.00 0.00 175.10 174.04 2a7o n GLY 45 N 4.77 0.08 3.66 6.54 0.00 0.20 -4.83 105.19 115.62 2a7o n GLY 45 Ca -0.14 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.77 4.24 -0.17 1.61 3.52 0.52 -4.47 118.95 119.43 2a7o s ARG 46 Ca 0.04 1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 57.12 2a7o s ARG 46 Cb -0.02 -3.77 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 2a7o s ARG 46 CO 0.35 -0.70 1.14 0.42 -0.81 0.00 0.00 175.30 175.70 2a7o s ILE 47 N 3.40 4.49 0.04 4.11 1.01 0.13 0.05 121.20 134.42 2a7o s ILE 47 Ca 0.59 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.74 2a7o s ILE 47 Cb -0.25 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 37.91 2a7o s ILE 47 CO 0.19 -0.12 1.38 0.71 0.00 0.00 0.00 174.94 177.10 2a7o h THR 48 N 5.37 0.00 -4.38 2.92 1.35 -1.87 -3.40 112.91 112.90 2a7o h THR 48 Ca -0.25 -0.04 -0.25 0.00 -0.55 0.00 0.00 66.41 65.31 2a7o h THR 48 Cb 1.10 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.37 2a7o h THR 48 CO 0.95 0.00 -0.63 -0.89 -0.25 0.00 0.00 175.52 174.70 2a7o s THR 49 N -5.18 0.15 0.20 6.82 2.01 -1.26 -5.04 115.64 113.34 2a7o s THR 49 Ca -0.15 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 59.75 2a7o s THR 49 Cb 0.02 -2.44 0.12 0.00 0.01 0.00 0.00 72.50 70.20 2a7o s THR 49 CO 0.45 -0.09 1.84 0.00 -0.69 0.00 0.00 174.62 176.13 2a7o h THR 50 N 2.62 1.11 -0.36 -0.82 1.03 -1.98 0.94 112.91 115.44 2a7o h THR 50 Ca -0.36 -0.28 -0.02 0.00 -0.01 0.00 0.00 66.41 65.74 2a7o h THR 50 Cb 1.24 0.23 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 2a7o h THR 50 CO 0.56 0.15 0.13 1.05 -0.01 0.00 0.00 175.52 177.40 2a7o h GLU 51 N 0.81 0.51 -0.15 0.00 9.09 -1.98 0.26 114.58 123.11 2a7o h GLU 51 Ca 0.25 -0.06 -0.16 0.00 0.05 0.00 0.00 59.36 59.43 2a7o h GLU 51 Cb -0.02 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 26.99 2a7o h GLU 51 CO -0.09 0.43 -0.55 -0.44 0.05 0.00 0.00 179.01 178.42 2a7o h ASP 52 N 0.51 0.74 -0.18 3.06 3.32 -1.76 -0.52 116.42 121.57 2a7o h ASP 52 Ca 0.12 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.60 2a7o h ASP 52 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2a7o h ASP 52 CO -0.01 1.22 -0.03 0.15 -1.72 0.00 0.00 179.24 178.85 2a7o h PHE 53 N 0.29 -0.06 -0.70 4.55 3.04 -0.01 -0.88 116.94 123.16 2a7o h PHE 53 Ca -0.03 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 2a7o h PHE 53 Cb 1.18 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.71 2a7o h PHE 53 CO 0.10 -0.06 0.21 0.87 -2.02 0.00 0.00 178.31 177.42 2a7o h LYS 54 N 0.02 1.10 0.07 1.11 1.57 -0.46 0.81 116.57 120.78 2a7o h LYS 54 Ca 0.09 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2a7o h LYS 54 Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2a7o h LYS 54 CO -0.17 0.95 -0.03 1.25 -0.57 0.00 0.00 179.45 180.87 2a7o h HIS 55 N 1.04 -0.08 -0.30 -1.35 2.76 -0.64 -1.00 115.15 115.58 2a7o h HIS 55 Ca 0.23 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.23 2a7o h HIS 55 Cb 0.31 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 2a7o h HIS 55 CO 0.02 -0.04 -0.44 1.25 -1.30 0.00 0.00 177.93 177.42 2a7o h LEU 56 N -0.10 0.90 -0.85 0.26 5.85 -1.03 -0.75 115.31 119.59 2a7o h LEU 56 Ca -0.01 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.31 2a7o h LEU 56 Cb 0.08 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 2a7o h LEU 56 CO 0.01 1.23 0.49 0.00 -0.34 0.00 0.00 178.44 179.83 2a7o h ALA 57 N 0.69 1.25 -0.31 1.25 0.00 -0.63 0.12 119.26 121.64 2a7o h ALA 57 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2a7o h ALA 57 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2a7o h ALA 57 CO 0.10 0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.51 2a7o h ARG 58 N 0.78 0.48 -0.62 0.00 3.08 -0.93 -1.24 114.38 115.92 2a7o h ARG 58 Ca 0.43 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 2a7o h ARG 58 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2a7o h ARG 58 CO -0.28 0.53 0.23 -0.22 -1.07 0.00 0.00 179.97 179.16 2a7o h LYS 59 N 0.34 0.94 -0.32 0.04 3.64 0.41 -0.86 116.57 120.77 2a7o h LYS 59 Ca 0.10 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2a7o h LYS 59 Cb 0.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2a7o h LYS 59 CO -0.00 0.81 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.58 2a7o h LEU 60 N 0.88 0.85 -0.94 5.20 3.38 -0.76 -0.13 115.31 123.79 2a7o h LEU 60 Ca 0.20 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2a7o h LEU 60 Cb 0.24 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2a7o h LEU 60 CO -0.01 1.16 0.61 0.74 0.09 0.00 0.00 178.44 181.03 2a7o h THR 61 N 0.56 1.16 -0.02 0.22 2.02 -0.91 -0.60 112.91 115.33 2a7o h THR 61 Ca 0.05 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.63 2a7o h THR 61 Cb 0.93 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2a7o h THR 61 CO 0.08 0.22 -0.80 -0.74 0.37 0.00 0.00 175.52 174.65 2a7o h HIS 62 N 1.19 0.35 -0.09 3.16 -0.00 -0.91 -2.61 115.15 116.24 2a7o h HIS 62 Ca 0.38 -0.17 -0.23 0.00 -0.00 0.00 0.00 60.37 60.34 2a7o h HIS 62 Cb 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2a7o h HIS 62 CO -0.01 0.95 -0.86 0.78 -0.00 0.00 0.00 177.93 178.79 2a7o h GLY 63 N 1.65 0.75 1.03 5.26 0.00 -0.26 -0.40 103.07 111.11 2a7o h GLY 63 Ca -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.13 2a7o h GLY 63 CO 0.13 1.02 0.44 -2.08 0.00 0.00 0.00 176.54 176.04 2a7o h VAL 64 N 0.44 1.25 0.07 4.60 2.07 -1.16 -0.58 116.25 122.94 2a7o h VAL 64 Ca -0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2a7o h VAL 64 Cb 1.49 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2a7o h VAL 64 CO 0.17 0.29 -0.03 -0.03 0.02 0.00 0.00 177.57 177.98 2a7o h MET 65 N 1.18 -0.09 -0.30 1.57 -1.53 -1.37 -1.19 114.93 113.20 2a7o h MET 65 Ca 0.29 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.55 2a7o h MET 65 Cb 0.07 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 2a7o h MET 65 CO -0.04 0.02 0.16 -0.91 0.14 0.00 0.00 176.91 176.27 2a7o h ASN 66 N -0.18 0.38 -0.58 1.39 2.35 -0.77 0.12 115.58 118.28 2a7o h ASN 66 Ca -0.01 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2a7o h ASN 66 Cb 0.15 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2a7o h ASN 66 CO 0.02 0.37 0.35 0.11 -1.65 0.00 0.00 177.43 176.63 2a7o h LYS 67 N 0.36 0.79 0.06 0.81 1.57 -0.86 -0.93 116.57 118.37 2a7o h LYS 67 Ca 0.10 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 2a7o h LYS 67 Cb 0.08 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2a7o h LYS 67 CO -0.02 0.57 -1.08 1.05 -0.57 0.00 0.00 179.45 179.40 2a7o h GLU 68 N 0.79 0.38 -0.72 3.15 4.11 -1.10 -1.53 114.58 119.66 2a7o h GLU 68 Ca 0.21 -0.49 0.16 0.00 0.07 0.00 0.00 59.36 59.31 2a7o h GLU 68 Cb -0.02 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2a7o h GLU 68 CO -0.04 1.18 0.49 -0.07 0.07 0.00 0.00 179.01 180.64 2a7o h LEU 69 N 0.18 0.27 0.23 3.06 3.38 -0.44 0.73 115.31 122.72 2a7o h LEU 69 Ca -0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2a7o h LEU 69 Cb 1.76 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2a7o h LEU 69 CO 0.19 0.14 -0.11 0.11 0.09 0.00 0.00 178.44 178.85 2a7o h LYS 70 N 0.29 -0.30 0.00 1.13 1.57 -0.80 -1.50 116.57 116.96 2a7o h LYS 70 Ca 0.35 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2a7o h LYS 70 Cb 0.97 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2a7o h LYS 70 CO -0.09 0.08 -0.24 1.88 -0.57 0.00 0.00 179.45 180.51 2a7o h TYR 71 N -0.80 0.00 0.10 -1.35 0.05 -0.52 -3.19 116.97 111.26 2a7o h TYR 71 Ca -0.03 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.40 2a7o h TYR 71 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 2a7o h TYR 71 CO 0.05 0.24 -1.95 0.00 -1.05 0.00 0.00 178.16 175.45 2a7o n LYS 73 N -3.40 0.00 -3.69 0.00 4.76 -0.57 -4.84 118.16 110.42 2a7o n LYS 73 Ca -0.29 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.78 2a7o n LYS 73 Cb 1.05 -0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 34.14 2a7o n LYS 73 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2a7o s ASN 74 N 0.00 6.06 0.00 4.39 2.20 -1.26 -4.96 114.94 121.36 2a7o s ASN 74 Ca 0.00 0.11 0.16 0.00 -0.94 0.00 0.00 52.86 52.19 2a7o s ASN 74 Cb 0.00 -2.09 0.95 0.00 -2.00 0.00 0.00 41.25 38.11 2a7o s ASN 74 CO 0.00 0.08 1.40 -0.81 -2.94 0.00 0.00 177.10 174.83 2a7o n PRO 75 N 4.18 0.66 0.00 3.55 -0.04 -1.26 -2.40 135.00 139.69 2a7o n PRO 75 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 2a7o n PRO 75 Cb 0.52 -1.38 0.38 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 -0.88 0.10 -0.02 0.54 2.13 -1.26 -1.43 120.64 119.81 2a7o n GLU 76 Ca 0.12 0.18 0.02 0.00 0.66 0.00 0.00 57.16 58.14 2a7o n GLU 76 Cb 0.05 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.30 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 -1.41 1.70 -4.39 4.31 2.03 -1.01 -4.86 116.55 112.92 2a7o n ASP 77 Ca 0.06 -1.47 -0.45 0.00 0.52 0.00 0.00 54.79 53.45 2a7o n ASP 77 Cb 0.17 -0.03 -0.04 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 -0.58 5.32 -0.02 -2.67 2.96 -0.51 -4.95 118.68 118.23 2a7o s LEU 78 Ca 0.06 -1.58 -0.10 0.00 -0.22 0.00 0.00 54.13 52.29 2a7o s LEU 78 Cb 0.04 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.41 2a7o s LEU 78 CO 0.05 -1.11 0.21 -0.70 -1.32 0.00 0.00 176.35 173.48 2a7o s GLU 79 N 2.65 0.51 -1.38 1.98 2.56 -1.26 -4.68 118.70 119.08 2a7o s GLU 79 Ca 0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 54.97 54.80 2a7o s GLU 79 Cb -0.19 0.22 0.09 0.00 2.00 0.00 0.00 34.13 36.25 2a7o s GLU 79 CO 0.03 -0.12 2.15 0.00 -0.56 0.00 0.00 175.26 176.75 2a7o n ASN 81 N 4.56 0.09 0.15 0.00 0.23 -1.26 -4.79 115.26 114.25 2a7o n ASN 81 Ca 0.50 -1.07 -0.13 0.00 -0.53 0.00 0.00 54.58 53.34 2a7o n ASN 81 Cb 0.35 -0.03 -0.06 0.00 -2.08 0.00 0.00 39.78 37.96 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 -0.46 -0.48 -3.83 4.39 -1.98 0.45 114.58 112.67 2a7o h GLU 82 Ca -0.02 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.81 2a7o h GLU 82 Cb 0.07 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.74 2a7o h GLU 82 CO 0.02 -0.31 -0.08 -0.91 -1.16 0.00 0.00 179.01 176.58 2a7o h ASN 83 N -0.48 -0.36 -0.29 1.42 4.21 -1.95 0.36 115.58 118.50 2a7o h ASN 83 Ca 0.00 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.62 2a7o h ASN 83 Cb 0.45 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 2a7o h ASN 83 CO -0.07 -0.13 0.07 0.58 -1.29 0.00 0.00 177.43 176.59 2a7o h VAL 84 N 0.04 1.22 -0.47 2.81 2.07 -1.67 -1.33 116.25 118.92 2a7o h VAL 84 Ca 0.24 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2a7o h VAL 84 Cb 0.36 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2a7o h VAL 84 CO -0.46 0.24 0.15 0.11 0.02 0.00 0.00 177.57 177.63 2a7o h LYS 85 N 0.31 0.30 0.04 1.57 1.57 0.65 0.02 116.57 121.03 2a7o h LYS 85 Ca 0.09 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2a7o h LYS 85 Cb 0.30 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2a7o h LYS 85 CO 0.00 0.20 -0.37 1.25 -0.57 0.00 0.00 179.45 179.96 2a7o h HIS 86 N 0.31 -1.04 -0.59 -1.35 2.76 -0.01 0.13 115.15 115.36 2a7o h HIS 86 Ca 0.22 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2a7o h HIS 86 Cb 0.24 0.45 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 2a7o h HIS 86 CO -0.17 -0.46 0.35 0.87 -1.30 0.00 0.00 177.93 177.21 2a7o h LYS 87 N -0.55 0.80 0.39 5.26 1.57 -0.81 -1.85 116.57 121.37 2a7o h LYS 87 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 87 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2a7o h LYS 87 CO -0.27 0.56 -0.19 1.15 -0.57 0.00 0.00 179.45 180.14 2a7o h THR 88 N 0.81 0.00 -0.43 -0.16 2.02 0.37 0.91 112.91 116.43 2a7o h THR 88 Ca 0.21 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2a7o h THR 88 Cb -0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 2a7o h THR 88 CO -0.04 0.00 0.18 0.07 0.37 0.00 0.00 175.52 176.10 2a7o h LYS 89 N -1.13 0.61 -0.54 6.66 5.09 -0.77 0.43 116.57 126.92 2a7o h LYS 89 Ca -0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 60.65 60.61 2a7o h LYS 89 Cb 0.40 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.59 2a7o h LYS 89 CO 0.09 0.50 0.33 0.93 -2.09 0.00 0.00 179.45 179.20 2a7o h GLU 90 N 0.61 0.73 0.15 0.07 4.39 -1.33 -1.64 114.58 117.56 2a7o h GLU 90 Ca 0.15 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2a7o h GLU 90 Cb 0.11 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2a7o h GLU 90 CO -0.02 0.52 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.37 2a7o h TYR 91 N 0.72 -0.18 -0.42 4.33 3.20 0.89 -1.73 116.97 123.78 2a7o h TYR 91 Ca 0.19 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 2a7o h TYR 91 Cb -0.02 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.23 2a7o h TYR 91 CO -0.03 0.14 -0.15 0.82 -1.64 0.00 0.00 178.16 177.31 2a7o h ILE 92 N -0.52 0.49 0.10 1.81 1.08 -0.17 0.62 117.51 120.92 2a7o h ILE 92 Ca -0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2a7o h ILE 92 Cb 0.40 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2a7o h ILE 92 CO 0.03 0.00 -0.13 0.11 -0.69 0.00 0.00 178.15 177.47 2a7o h LYS 93 N -0.06 -0.26 -0.00 2.37 1.57 -1.17 0.08 116.57 119.11 2a7o h LYS 93 Ca 0.21 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2a7o h LYS 93 Cb 0.37 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2a7o h LYS 93 CO -0.47 -0.17 -0.34 0.87 -0.57 0.00 0.00 179.45 178.77 2a7o h LYS 94 N -0.27 0.00 0.80 3.15 1.79 -0.50 -1.37 116.57 120.18 2a7o h LYS 94 Ca 0.01 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2a7o h LYS 94 Cb 0.27 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2a7o h LYS 94 CO -0.06 0.34 -0.38 -0.92 -1.08 0.00 0.00 179.45 177.35 2a7o h TYR 95 N 0.00 -0.99 0.00 -1.35 5.03 0.63 -3.10 116.97 117.19 2a7o h TYR 95 Ca -0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.28 2a7o h TYR 95 Cb 0.60 0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2a7o h TYR 95 CO 0.00 -0.61 0.00 0.52 -1.32 0.00 0.00 178.16 176.75 2a7o h MET 96 N -1.21 0.00 0.00 1.82 0.00 -0.13 -0.53 114.93 114.88 2a7o h MET 96 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.59 2a7o h MET 96 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.43 2a7o h MET 96 CO 0.18 0.00 -0.01 1.96 0.00 0.00 0.00 176.91 179.04 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.20 -1.74 115.11 114.97 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 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2a7o h GLN 97 CO 0.00 0.01 -0.23 1.57 -0.95 0.00 0.00 178.83 179.23 2a7o h LYS 98 N 0.00 0.00 0.02 1.46 2.10 -1.20 -3.16 116.57 115.79 2a7o h LYS 98 Ca -0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 2a7o h LYS 98 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2a7o h LYS 98 CO 0.00 0.23 -0.96 0.74 -2.00 0.00 0.00 179.45 177.46 2a7o h PHE 99 N 0.00 0.37 0.00 0.07 0.04 -1.49 -3.49 116.94 112.44 2a7o h PHE 99 Ca -0.00 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2a7o h PHE 99 Cb 0.88 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2a7o h PHE 99 CO 0.00 1.06 0.00 0.41 -0.60 0.00 0.00 178.31 179.18 2a7o n GLY 100 N 1.04 0.85 0.13 -1.45 0.00 -1.20 -4.37 105.19 100.19 2a7o n GLY 100 Ca -0.05 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 0.31 -3.13 4.61 0.00 -1.92 0.60 119.26 119.74 2a7o h ALA 101 Ca 0.00 -1.26 -0.64 0.00 0.00 0.00 0.00 54.91 53.01 2a7o h ALA 101 Cb 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 18.26 2a7o h ALA 101 CO 0.00 1.01 -0.82 0.08 0.00 0.00 0.00 179.25 179.52 2a7o s VAL 102 N -2.48 2.28 -0.65 0.00 1.01 -1.26 -0.35 120.40 118.95 2a7o s VAL 102 Ca -0.23 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.45 2a7o s VAL 102 Cb 0.06 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2a7o s VAL 102 CO 0.72 -0.15 1.17 -0.47 0.00 0.00 0.00 175.10 176.37 2a7o s TYR 103 N -1.74 2.51 -0.58 5.22 5.04 0.11 -4.56 117.35 123.35 2a7o s TYR 103 Ca 0.20 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 2a7o s TYR 103 Cb -0.08 -4.49 0.15 0.00 0.35 0.00 0.00 41.96 37.90 2a7o s TYR 103 CO 0.10 -1.76 0.36 0.15 -1.34 0.00 0.00 175.55 173.05 2a7o s LYS 104 N 5.06 2.30 0.57 4.97 1.02 -1.26 -4.66 119.74 127.74 2a7o s LYS 104 Ca 0.36 -2.55 0.32 0.00 0.02 0.00 0.00 55.97 54.12 2a7o s LYS 104 Cb -0.09 -3.56 1.73 0.00 -0.52 0.00 0.00 37.83 35.39 2a7o s LYS 104 CO 0.19 -1.14 2.18 -1.00 -0.92 0.00 0.00 175.35 174.65 2a7o h PRO 105 N 6.84 0.00 0.00 -1.68 0.13 -1.99 -0.33 132.00 134.98 2a7o h PRO 105 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2a7o h PRO 105 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2a7o h PRO 105 CO 0.70 0.05 0.00 0.87 -0.23 0.00 0.00 178.00 179.39 2a7o h LYS 106 N 0.00 0.00 -0.26 0.86 1.57 -2.02 -0.83 116.57 115.89 2a7o h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 106 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2a7o h LYS 106 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 2a7o n GLU 107 N -2.42 2.27 -1.06 3.15 -0.58 -0.14 -5.07 120.64 116.80 2a7o n GLU 107 Ca -0.01 -1.82 -0.30 0.00 -0.42 0.00 0.00 57.16 54.62 2a7o n GLU 107 Cb 0.09 -1.25 0.16 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.98 2.99 0.00 1.62 2.15 -0.32 -4.98 116.67 117.15 2a7o s ASP 108 Ca 0.20 1.54 0.02 0.00 0.43 0.00 0.00 52.55 54.74 2a7o s ASP 108 Cb 0.11 -2.20 0.14 0.00 -0.30 0.00 0.00 42.92 40.67 2a7o s ASP 108 CO 0.15 -2.95 0.63 1.07 -0.17 0.00 0.00 175.17 173.90