#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o n SER 11 N 0.00 0.00 -0.03 3.42 7.64 -1.26 0.05 113.62 123.44 2a7o n SER 11 Ca 0.00 -0.54 -0.10 0.00 1.01 0.00 0.00 58.87 59.23 2a7o n SER 11 Cb 0.00 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.04 0.56 6.43 4.64 -2.01 -3.20 113.55 119.92 2a7o h SER 12 Ca 0.00 -0.61 -0.29 0.00 -0.47 0.00 0.00 61.79 60.43 2a7o h SER 12 Cb 0.07 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2a7o h SER 12 CO 0.00 0.71 -1.36 1.05 -0.87 0.00 0.00 176.83 176.36 2a7o h GLU 13 N -0.93 0.26 -0.64 4.77 -0.00 -1.67 -3.11 114.58 113.25 2a7o h GLU 13 Ca -0.01 -0.45 -0.03 0.00 -0.00 0.00 0.00 59.36 58.87 2a7o h GLU 13 Cb 0.65 0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 29.53 2a7o h GLU 13 CO 0.01 1.17 0.27 1.25 -0.00 0.00 0.00 179.01 181.71 2a7o h LEU 14 N 0.07 0.85 0.00 3.06 5.85 -0.56 -1.19 115.31 123.39 2a7o h LEU 14 Ca -0.18 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2a7o h LEU 14 Cb 1.99 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.80 2a7o h LEU 14 CO 0.19 0.76 -0.02 0.00 -0.34 0.00 0.00 178.44 179.02 2a7o n ALA 15 N -2.45 2.32 -0.16 1.25 0.00 -1.21 -1.33 120.51 118.94 2a7o n ALA 15 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2a7o n ALA 15 Cb 0.16 -1.46 0.26 0.00 0.00 0.00 0.00 19.45 18.41 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 0.00 0.87 0.12 0.00 3.64 -1.14 0.16 116.57 120.22 2a7o h LYS 16 Ca 0.00 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2a7o h LYS 16 Cb 0.71 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2a7o h LYS 16 CO 0.00 0.64 -0.73 0.87 -2.27 0.00 0.00 179.45 177.96 2a7o h LYS 17 N 0.88 0.25 -0.34 1.90 6.56 -1.45 -3.35 116.57 121.01 2a7o h LYS 17 Ca 0.23 -0.43 -0.03 0.00 -1.06 0.00 0.00 60.65 59.36 2a7o h LYS 17 Cb 0.02 0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2a7o h LYS 17 CO -0.04 1.21 0.10 1.03 -2.06 0.00 0.00 179.45 179.69 2a7o h SER 18 N -0.47 0.44 0.40 0.86 0.87 -0.64 0.78 113.55 115.80 2a7o h SER 18 Ca -0.13 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 2a7o h SER 18 Cb 1.55 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2a7o h SER 18 CO 0.12 0.43 -0.55 0.11 -0.53 0.00 0.00 176.83 176.42 2a7o h LYS 19 N 0.48 0.15 0.23 2.24 1.57 -0.87 0.28 116.57 120.67 2a7o h LYS 19 Ca 0.12 -0.10 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2a7o h LYS 19 Cb 0.16 0.01 0.04 0.00 0.08 0.00 0.00 32.23 32.51 2a7o h LYS 19 CO -0.01 0.66 -1.44 0.93 -0.57 0.00 0.00 179.45 179.03 2a7o h GLU 20 N 0.12 0.56 -0.63 3.15 4.39 -1.40 0.33 114.58 121.10 2a7o h GLU 20 Ca -0.00 -0.91 -0.07 0.00 0.34 0.00 0.00 59.36 58.72 2a7o h GLU 20 Cb 1.00 0.33 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 2a7o h GLU 20 CO 0.08 1.43 0.13 0.28 -1.16 0.00 0.00 179.01 179.77 2a7o h VAL 21 N 0.17 1.26 0.16 3.13 2.07 -0.82 0.14 116.25 122.36 2a7o h VAL 21 Ca -0.24 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2a7o h VAL 21 Cb 2.13 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2a7o h VAL 21 CO 0.27 0.36 -0.08 0.15 0.02 0.00 0.00 177.57 178.29 2a7o h PHE 22 N 0.94 -0.20 0.00 1.57 3.57 -0.32 -0.84 116.94 121.65 2a7o h PHE 22 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2a7o h PHE 22 Cb 0.39 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2a7o h PHE 22 CO 0.03 0.03 -0.06 0.07 -2.23 0.00 0.00 178.31 176.15 2a7o h ARG 23 N -0.40 0.00 0.29 1.11 -0.00 -0.24 0.16 114.38 115.30 2a7o h ARG 23 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2a7o h ARG 23 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.29 2a7o h ARG 23 CO 0.04 0.06 -0.14 0.87 -0.00 0.00 0.00 179.97 180.79 2a7o h LYS 24 N 0.00 -0.37 -0.11 0.08 1.79 0.16 -0.03 116.57 118.08 2a7o h LYS 24 Ca -0.00 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2a7o h LYS 24 Cb 0.13 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2a7o h LYS 24 CO 0.01 -0.04 -0.44 1.05 -1.08 0.00 0.00 179.45 178.95 2a7o h GLU 25 N -0.79 0.25 0.05 3.15 4.11 -0.70 -1.48 114.58 119.17 2a7o h GLU 25 Ca -0.04 -0.13 -0.25 0.00 0.07 0.00 0.00 59.36 59.02 2a7o h GLU 25 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2a7o h GLU 25 CO 0.07 0.65 -1.05 1.98 0.07 0.00 0.00 179.01 180.72 2a7o h MET 26 N 0.21 0.42 -0.81 1.06 4.05 -0.76 0.86 114.93 119.97 2a7o h MET 26 Ca 0.02 -0.51 -0.04 0.00 -0.28 0.00 0.00 59.70 58.89 2a7o h MET 26 Cb 0.86 0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 2a7o h MET 26 CO 0.07 1.18 0.36 0.66 0.23 0.00 0.00 176.91 179.41 2a7o h SER 27 N 0.21 1.08 -0.35 1.39 4.64 -0.76 0.41 113.55 120.16 2a7o h SER 27 Ca -0.11 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 2a7o h SER 27 Cb 1.71 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2a7o h SER 27 CO 0.18 0.92 -0.02 1.56 -0.87 0.00 0.00 176.83 178.61 2a7o h GLN 28 N 1.16 0.63 -0.35 4.77 4.20 -1.17 0.36 115.11 124.71 2a7o h GLN 28 Ca 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2a7o h GLN 28 Cb 0.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2a7o h GLN 28 CO -0.03 0.75 0.19 0.35 -0.67 0.00 0.00 178.83 179.42 2a7o h PHE 29 N 0.44 0.48 -0.50 2.96 3.57 -0.30 0.79 116.94 124.38 2a7o h PHE 29 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2a7o h PHE 29 Cb 0.48 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2a7o h PHE 29 CO 0.04 0.39 0.14 0.82 -2.23 0.00 0.00 178.31 177.46 2a7o h ILE 30 N 0.43 1.24 -0.49 1.41 2.04 -0.08 0.36 117.51 122.41 2a7o h ILE 30 Ca 0.12 -0.81 0.10 0.00 1.00 0.00 0.00 64.86 65.27 2a7o h ILE 30 Cb 0.07 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 2a7o h ILE 30 CO -0.02 0.29 -0.01 0.58 0.00 0.00 0.00 178.15 178.99 2a7o h VAL 31 N 0.68 0.60 -0.73 1.67 2.07 0.02 0.40 116.25 120.96 2a7o h VAL 31 Ca 0.16 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2a7o h VAL 31 Cb 0.31 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2a7o h VAL 31 CO -0.00 0.02 0.44 -0.61 0.02 0.00 0.00 177.57 177.44 2a7o h GLN 32 N 0.10 0.82 -0.40 1.57 4.15 -0.25 0.16 115.11 121.25 2a7o h GLN 32 Ca 0.25 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 2a7o h GLN 32 Cb 0.37 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2a7o h GLN 32 CO -0.42 0.54 -0.18 0.00 -1.93 0.00 0.00 178.83 176.84 2a7o h LEU 34 N 0.68 0.00 -0.94 0.00 3.38 0.60 -3.36 115.31 115.68 2a7o h LEU 34 Ca 0.10 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.29 2a7o h LEU 34 Cb 0.68 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.25 2a7o h LEU 34 CO 0.05 0.29 -0.10 0.78 0.09 0.00 0.00 178.44 179.56 2a7o h ASN 35 N 0.00 -0.65 0.70 -0.43 2.35 -0.58 0.74 115.58 117.71 2a7o h ASN 35 Ca -0.00 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2a7o h ASN 35 Cb 1.22 0.52 0.00 0.00 0.05 0.00 0.00 38.32 40.11 2a7o h ASN 35 CO 0.04 -0.31 0.00 1.55 -1.65 0.00 0.00 177.43 177.06 2a7o h PRO 36 N 0.02 0.00 0.00 0.81 0.13 -1.75 -2.91 132.00 128.30 2a7o h PRO 36 Ca 0.51 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.43 2a7o h PRO 36 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 2a7o h PRO 36 CO -0.91 0.00 -1.25 1.88 -0.23 0.00 0.00 178.00 177.48 2a7o h TYR 37 N 0.00 0.00 -0.03 1.56 -1.99 -1.10 -3.26 116.97 112.15 2a7o h TYR 37 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a7o h TYR 37 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2a7o h TYR 37 CO 0.00 0.79 0.00 2.89 -0.00 0.00 0.00 178.16 181.84 2a7o n ARG 38 N -3.10 1.38 -2.31 4.88 1.85 -0.90 0.06 116.66 118.52 2a7o n ARG 38 Ca -0.08 -0.56 -0.42 0.00 -1.00 0.00 0.00 57.85 55.80 2a7o n ARG 38 Cb 0.91 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 2a7o n ARG 38 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a7o s LYS 39 N -1.98 4.41 0.01 2.89 -0.14 -1.23 -4.77 119.74 118.94 2a7o s LYS 39 Ca 0.40 1.93 0.04 0.00 -1.36 0.00 0.00 55.97 56.98 2a7o s LYS 39 Cb 0.20 -3.26 0.19 0.00 -1.68 0.00 0.00 37.83 33.28 2a7o s LYS 39 CO 0.33 -0.25 1.14 -0.35 -0.76 0.00 0.00 175.35 175.46 2a7o n PRO 40 N 3.27 0.00 -0.30 -1.68 -0.04 -1.26 -0.92 135.00 134.06 2a7o n PRO 40 Ca 0.08 0.43 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 2a7o n PRO 40 Cb 0.44 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.51 3.36 -4.76 3.54 2.03 -1.26 -4.99 116.55 112.96 2a7o n ASP 41 Ca 0.01 -2.51 -0.41 0.00 0.52 0.00 0.00 54.79 52.39 2a7o n ASP 41 Cb 0.05 -0.38 -0.01 0.00 -0.72 0.00 0.00 41.12 40.05 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 4.30 0.26 -4.12 0.00 1.57 -1.89 -3.43 116.57 113.25 2a7o h LYS 43 Ca -0.48 -0.44 -0.46 0.00 -1.87 0.00 0.00 60.65 57.40 2a7o h LYS 43 Cb 1.22 0.16 -0.35 0.00 0.08 0.00 0.00 32.23 33.35 2a7o h LYS 43 CO 0.74 1.11 -0.79 0.54 -0.57 0.00 0.00 179.45 180.49 2a7o s VAL 44 N -2.59 0.75 -0.72 0.50 0.11 -1.26 -4.24 120.40 112.96 2a7o s VAL 44 Ca -0.14 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 2a7o s VAL 44 Cb 0.07 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2a7o s VAL 44 CO 0.83 0.29 0.62 0.61 -3.33 0.00 0.00 175.10 174.12 2a7o n GLY 45 N 4.41 0.09 3.65 6.54 0.00 0.33 -4.88 105.19 115.34 2a7o n GLY 45 Ca -0.18 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.43 4.10 -0.16 1.61 3.52 0.08 -4.45 118.95 118.23 2a7o s ARG 46 Ca 0.22 1.80 -0.29 0.00 -0.13 0.00 0.00 55.73 57.33 2a7o s ARG 46 Cb -0.10 -3.90 -0.01 0.00 -1.56 0.00 0.00 34.95 29.38 2a7o s ARG 46 CO 0.40 -0.90 1.15 0.42 -0.81 0.00 0.00 175.30 175.56 2a7o s ILE 47 N 4.09 4.46 0.02 4.11 1.01 0.11 -0.11 121.20 134.89 2a7o s ILE 47 Ca 0.64 1.77 -0.27 0.00 0.00 0.00 0.00 60.65 62.79 2a7o s ILE 47 Cb -0.26 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 37.92 2a7o s ILE 47 CO 0.23 -0.11 1.18 0.71 0.00 0.00 0.00 174.94 176.95 2a7o h THR 48 N 5.35 0.18 -3.15 2.92 1.35 -1.88 -3.41 112.91 114.28 2a7o h THR 48 Ca -0.26 -0.33 -0.42 0.00 -0.55 0.00 0.00 66.41 64.85 2a7o h THR 48 Cb 1.10 0.25 -0.15 0.00 -1.73 0.00 0.00 68.15 67.62 2a7o h THR 48 CO 0.94 0.03 -0.74 -0.89 -0.25 0.00 0.00 175.52 174.61 2a7o s THR 49 N -4.80 1.54 0.22 6.82 2.01 -1.26 -5.03 115.64 115.13 2a7o s THR 49 Ca -0.14 -2.08 -0.09 0.00 0.31 0.00 0.00 61.69 59.69 2a7o s THR 49 Cb 0.02 -1.90 0.17 0.00 0.01 0.00 0.00 72.50 70.80 2a7o s THR 49 CO 0.47 -0.59 1.87 0.00 -0.69 0.00 0.00 174.62 175.68 2a7o h THR 50 N 2.82 1.13 -0.18 -0.82 1.03 -1.98 0.18 112.91 115.08 2a7o h THR 50 Ca -0.38 -0.33 -0.05 0.00 -0.01 0.00 0.00 66.41 65.63 2a7o h THR 50 Cb 1.21 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 2a7o h THR 50 CO 0.60 0.18 -0.11 1.05 -0.01 0.00 0.00 175.52 177.22 2a7o h GLU 51 N 0.97 0.28 -0.20 0.00 4.11 -1.98 0.22 114.58 117.99 2a7o h GLU 51 Ca 0.30 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.53 2a7o h GLU 51 Cb -0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2a7o h GLU 51 CO -0.10 0.41 -0.40 -0.44 0.07 0.00 0.00 179.01 178.55 2a7o h ASP 52 N 0.27 0.70 -0.14 3.06 3.32 -1.75 0.09 116.42 121.97 2a7o h ASP 52 Ca 0.06 -0.55 0.03 0.00 0.02 0.00 0.00 57.03 56.59 2a7o h ASP 52 Cb 0.37 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2a7o h ASP 52 CO 0.02 1.12 -0.08 0.15 -1.72 0.00 0.00 179.24 178.73 2a7o h PHE 53 N 0.31 -0.18 -0.76 4.55 3.04 0.01 -1.13 116.94 122.77 2a7o h PHE 53 Ca 0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2a7o h PHE 53 Cb 1.00 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.57 2a7o h PHE 53 CO 0.09 -0.12 0.47 0.87 -2.02 0.00 0.00 178.31 177.60 2a7o h LYS 54 N -0.07 1.03 0.04 1.11 1.57 -0.48 0.21 116.57 119.98 2a7o h LYS 54 Ca 0.08 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2a7o h LYS 54 Cb 0.19 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2a7o h LYS 54 CO -0.18 0.72 -0.02 1.25 -0.57 0.00 0.00 179.45 180.65 2a7o h HIS 55 N 1.04 -0.05 -0.12 -1.35 2.76 -0.53 -0.69 115.15 116.22 2a7o h HIS 55 Ca 0.28 -0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.23 2a7o h HIS 55 Cb -0.05 0.02 0.01 0.00 1.55 0.00 0.00 27.41 28.93 2a7o h HIS 55 CO -0.01 -0.03 -0.78 1.25 -1.30 0.00 0.00 177.93 177.06 2a7o h LEU 56 N -0.05 0.81 -0.85 0.26 5.85 -1.02 -0.55 115.31 119.76 2a7o h LEU 56 Ca -0.01 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.25 2a7o h LEU 56 Cb 0.04 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2a7o h LEU 56 CO 0.01 1.32 0.51 0.00 -0.34 0.00 0.00 178.44 179.94 2a7o h ALA 57 N 0.66 1.19 -0.22 1.25 0.00 -0.38 0.17 119.26 121.93 2a7o h ALA 57 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2a7o h ALA 57 Cb 1.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2a7o h ALA 57 CO 0.15 0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.68 2a7o h ARG 58 N 0.89 0.34 -0.60 0.00 3.08 -0.96 -1.46 114.38 115.66 2a7o h ARG 58 Ca 0.39 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 2a7o h ARG 58 Cb 0.27 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2a7o h ARG 58 CO -0.21 0.40 0.19 -0.22 -1.07 0.00 0.00 179.97 179.06 2a7o h LYS 59 N 0.20 0.93 -0.22 0.04 3.64 0.32 -0.84 116.57 120.64 2a7o h LYS 59 Ca 0.07 -0.20 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 2a7o h LYS 59 Cb 0.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2a7o h LYS 59 CO -0.00 0.83 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.50 2a7o h LEU 60 N 0.85 0.77 -0.78 5.20 3.38 -0.70 0.71 115.31 124.75 2a7o h LEU 60 Ca 0.19 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.70 2a7o h LEU 60 Cb 0.29 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2a7o h LEU 60 CO -0.01 1.17 0.44 0.74 0.09 0.00 0.00 178.44 180.88 2a7o h THR 61 N 0.39 0.93 0.00 0.22 2.02 -0.96 -0.29 112.91 115.23 2a7o h THR 61 Ca 0.01 -0.26 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 2a7o h THR 61 Cb 1.05 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2a7o h THR 61 CO 0.10 0.14 -0.93 -0.74 0.37 0.00 0.00 175.52 174.46 2a7o h HIS 62 N 0.77 0.02 -0.07 3.16 -0.00 -0.96 -2.51 115.15 115.56 2a7o h HIS 62 Ca 0.37 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.54 2a7o h HIS 62 Cb 0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 2a7o h HIS 62 CO -0.07 0.94 -0.73 0.78 -0.00 0.00 0.00 177.93 178.85 2a7o h GLY 63 N 2.72 0.41 1.13 5.26 0.00 -0.04 0.93 103.07 113.49 2a7o h GLY 63 Ca -0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.61 2a7o h GLY 63 CO 0.12 0.52 -0.12 -2.08 0.00 0.00 0.00 176.54 174.98 2a7o h VAL 64 N 0.25 1.27 -0.17 4.60 2.07 -1.09 -1.30 116.25 121.88 2a7o h VAL 64 Ca -0.03 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2a7o h VAL 64 Cb 1.30 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2a7o h VAL 64 CO 0.12 0.45 0.11 -0.03 0.02 0.00 0.00 177.57 178.24 2a7o h MET 65 N 0.89 0.23 -0.28 1.57 -1.53 -1.26 -0.44 114.93 114.11 2a7o h MET 65 Ca 0.14 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.37 2a7o h MET 65 Cb 0.69 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.68 2a7o h MET 65 CO 0.05 0.17 0.13 -0.91 0.14 0.00 0.00 176.91 176.49 2a7o h ASN 66 N 0.21 0.37 -0.66 1.39 2.35 -0.72 0.67 115.58 119.19 2a7o h ASN 66 Ca 0.06 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2a7o h ASN 66 Cb -0.00 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2a7o h ASN 66 CO -0.01 0.40 0.32 0.50 -1.65 0.00 0.00 177.43 176.98 2a7o h LYS 67 N 0.32 0.96 0.05 0.81 3.64 -0.74 0.72 116.57 122.33 2a7o h LYS 67 Ca 0.10 -0.14 -0.27 0.00 -1.27 0.00 0.00 60.65 59.06 2a7o h LYS 67 Cb 0.13 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2a7o h LYS 67 CO -0.01 0.76 -1.11 1.05 -2.27 0.00 0.00 179.45 177.87 2a7o h GLU 68 N 0.92 0.59 0.00 1.90 4.11 -1.02 -0.45 114.58 120.64 2a7o h GLU 68 Ca 0.23 -0.71 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 2a7o h GLU 68 Cb 0.12 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2a7o h GLU 68 CO -0.03 1.30 -0.01 -0.07 0.07 0.00 0.00 179.01 180.27 2a7o h LEU 69 N 0.30 0.00 0.00 3.06 3.38 -0.59 0.80 115.31 122.26 2a7o h LEU 69 Ca -0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 2a7o h LEU 69 Cb 1.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 2a7o h LEU 69 CO 0.21 0.01 -1.40 0.07 0.09 0.00 0.00 178.44 177.42 2a7o h LYS 70 N 0.00 0.00 0.03 1.13 2.10 -0.59 -1.66 116.57 117.57 2a7o h LYS 70 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 2a7o h LYS 70 Cb 0.03 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.32 2a7o h LYS 70 CO 0.00 0.40 -1.91 0.66 -2.00 0.00 0.00 179.45 176.60 2a7o n TYR 71 N -2.98 0.88 -0.00 0.07 4.02 -0.20 -4.26 117.16 114.69 2a7o n TYR 71 Ca -0.10 0.27 -0.12 0.00 -0.01 0.00 0.00 57.90 57.94 2a7o n TYR 71 Cb 0.90 -1.15 -0.14 0.00 -0.02 0.00 0.00 39.34 38.93 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 -3.19 0.00 -3.30 0.00 4.76 -0.62 -4.85 118.16 110.95 2a7o n LYS 73 Ca -0.18 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.87 2a7o n LYS 73 Cb 1.04 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 34.16 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 0.00 6.51 0.00 4.39 0.01 -1.26 -4.88 114.94 119.70 2a7o s ASN 74 Ca 0.00 0.61 0.19 0.00 -0.71 0.00 0.00 52.86 52.94 2a7o s ASN 74 Cb 0.00 -2.27 1.11 0.00 0.41 0.00 0.00 41.25 40.51 2a7o s ASN 74 CO 0.00 -0.14 1.52 -0.81 -1.51 0.00 0.00 177.10 176.16 2a7o n PRO 75 N 4.68 0.65 0.00 -0.60 -0.04 -1.26 -2.26 135.00 136.17 2a7o n PRO 75 Ca -0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2a7o n PRO 75 Cb 0.51 -1.45 0.27 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.95 0.05 0.00 0.54 2.13 -1.26 -1.24 120.64 119.90 2a7o n GLU 76 Ca 0.14 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2a7o n GLU 76 Cb 0.06 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.44 1.15 -4.43 4.31 2.03 -0.96 -4.90 116.55 112.32 2a7o n ASP 77 Ca 0.04 -1.41 -0.44 0.00 0.52 0.00 0.00 54.79 53.50 2a7o n ASP 77 Cb 0.13 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.41 4.85 -0.03 -2.67 2.96 -0.38 -4.93 118.68 118.07 2a7o s LEU 78 Ca 0.00 -1.39 -0.07 0.00 -0.22 0.00 0.00 54.13 52.45 2a7o s LEU 78 Cb 0.00 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2a7o s LEU 78 CO 0.00 -1.25 0.17 -0.70 -1.32 0.00 0.00 176.35 173.24 2a7o s GLU 79 N 3.30 0.35 -1.37 1.98 2.56 -1.26 -4.70 118.70 119.56 2a7o s GLU 79 Ca 0.22 -0.06 -0.13 0.00 0.00 0.00 0.00 54.97 55.01 2a7o s GLU 79 Cb -0.16 0.15 0.10 0.00 2.00 0.00 0.00 34.13 36.22 2a7o s GLU 79 CO 0.04 -0.07 2.03 0.00 -0.56 0.00 0.00 175.26 176.70 2a7o n ASN 81 N 5.40 1.42 -0.04 0.00 0.23 -1.26 -4.84 115.26 116.17 2a7o n ASN 81 Ca 0.46 -2.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.42 2a7o n ASN 81 Cb 0.39 -0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 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 -0.33 -0.36 -3.83 4.39 -1.98 0.50 114.58 112.97 2a7o h GLU 82 Ca -0.18 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.62 2a7o h GLU 82 Cb 0.80 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.45 2a7o h GLU 82 CO 0.26 -0.22 -0.17 -0.97 -1.16 0.00 0.00 179.01 176.74 2a7o h ASN 83 N -0.35 -0.58 -0.40 1.42 -1.24 -1.95 0.33 115.58 112.81 2a7o h ASN 83 Ca 0.12 0.14 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 2a7o h ASN 83 Cb 0.54 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 2a7o h ASN 83 CO -0.42 -0.21 0.08 0.58 -1.29 0.00 0.00 177.43 176.18 2a7o h VAL 84 N -0.11 1.24 -0.27 2.57 2.07 -1.62 -1.25 116.25 118.89 2a7o h VAL 84 Ca 0.18 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.89 2a7o h VAL 84 Cb 0.39 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2a7o h VAL 84 CO -0.43 0.29 0.11 0.11 0.02 0.00 0.00 177.57 177.67 2a7o h LYS 85 N 0.52 0.24 -0.15 1.57 1.57 0.69 0.13 116.57 121.14 2a7o h LYS 85 Ca 0.12 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2a7o h LYS 85 Cb 0.34 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2a7o h LYS 85 CO 0.00 0.16 -0.14 1.25 -0.57 0.00 0.00 179.45 180.15 2a7o h HIS 86 N 0.24 -0.34 -0.99 -1.35 2.76 -0.18 0.18 115.15 115.47 2a7o h HIS 86 Ca 0.11 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 2a7o h HIS 86 Cb 0.06 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 2a7o h HIS 86 CO -0.11 -0.20 0.64 -0.22 -1.30 0.00 0.00 177.93 176.74 2a7o h LYS 87 N -0.16 1.16 0.36 5.26 3.64 -0.84 -1.61 116.57 124.37 2a7o h LYS 87 Ca 0.10 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2a7o h LYS 87 Cb 0.30 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2a7o h LYS 87 CO -0.24 0.77 -0.17 1.15 -2.27 0.00 0.00 179.45 178.68 2a7o h THR 88 N 1.19 0.01 -0.27 1.00 2.02 0.76 0.42 112.91 118.04 2a7o h THR 88 Ca 0.42 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2a7o h THR 88 Cb 0.11 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2a7o h THR 88 CO -0.16 0.00 0.04 0.07 0.37 0.00 0.00 175.52 175.85 2a7o h LYS 89 N -1.13 0.39 -0.48 6.66 5.09 -0.69 0.40 116.57 126.82 2a7o h LYS 89 Ca -0.05 -0.06 -0.10 0.00 0.09 0.00 0.00 60.65 60.53 2a7o h LYS 89 Cb 0.37 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 2a7o h LYS 89 CO 0.08 0.39 -0.11 0.93 -2.09 0.00 0.00 179.45 178.65 2a7o h GLU 90 N 0.39 0.89 0.02 0.07 5.08 -1.29 -1.51 114.58 118.23 2a7o h GLU 90 Ca 0.09 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2a7o h GLU 90 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2a7o h GLU 90 CO 0.00 0.95 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.03 2a7o h TYR 91 N 0.80 -0.03 -0.14 4.33 3.20 0.89 -1.45 116.97 124.58 2a7o h TYR 91 Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2a7o h TYR 91 Cb 0.63 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2a7o h TYR 91 CO 0.04 0.36 -0.32 0.82 -1.64 0.00 0.00 178.16 177.42 2a7o h ILE 92 N -0.42 0.29 -0.24 1.81 1.08 -0.24 0.60 117.51 120.40 2a7o h ILE 92 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2a7o h ILE 92 Cb 0.40 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2a7o h ILE 92 CO 0.01 0.00 0.08 0.11 -0.69 0.00 0.00 178.15 177.65 2a7o h LYS 93 N -0.39 0.18 -0.34 2.37 1.57 -1.25 0.19 116.57 118.90 2a7o h LYS 93 Ca 0.10 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2a7o h LYS 93 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2a7o h LYS 93 CO -0.36 0.12 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.34 2a7o h LYS 94 N 0.18 0.57 0.77 3.15 3.64 -0.67 -1.40 116.57 122.82 2a7o h LYS 94 Ca 0.10 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2a7o h LYS 94 Cb 0.08 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2a7o h LYS 94 CO -0.11 0.65 -0.37 -0.92 -2.27 0.00 0.00 179.45 176.43 2a7o h TYR 95 N 0.53 -0.96 0.00 1.91 5.03 0.91 -2.91 116.97 121.47 2a7o h TYR 95 Ca 0.10 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 2a7o h TYR 95 Cb 0.47 0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.06 2a7o h TYR 95 CO 0.02 -0.58 -0.00 0.52 -1.32 0.00 0.00 178.16 176.79 2a7o h MET 96 N -1.11 0.00 0.00 1.82 0.00 0.10 0.08 114.93 115.82 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 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.41 2a7o h MET 96 CO 0.17 0.00 0.00 1.96 0.00 0.00 0.00 176.91 179.05 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.07 -1.76 115.11 115.08 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 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2a7o h GLN 97 CO 0.00 0.00 -0.20 1.57 -0.95 0.00 0.00 178.83 179.25 2a7o h LYS 98 N 0.00 0.00 0.03 1.46 5.09 -1.07 -3.20 116.57 118.88 2a7o h LYS 98 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.52 2a7o h LYS 98 Cb 0.12 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.44 2a7o h LYS 98 CO 0.00 0.20 -1.00 0.74 -2.09 0.00 0.00 179.45 177.29 2a7o h PHE 99 N 0.00 0.19 0.00 0.07 0.04 -1.49 -3.49 116.94 112.26 2a7o h PHE 99 Ca -0.00 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.64 2a7o h PHE 99 Cb 0.90 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2a7o h PHE 99 CO 0.00 1.04 0.00 0.41 -0.60 0.00 0.00 178.31 179.16 2a7o n GLY 100 N 1.21 1.02 0.13 -1.45 0.00 -1.21 -4.23 105.19 100.66 2a7o n GLY 100 Ca -0.03 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2a7o n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7o h ALA 101 N 0.00 0.18 -3.45 4.61 0.00 -1.92 0.96 119.26 119.63 2a7o h ALA 101 Ca 0.00 -1.13 -0.60 0.00 0.00 0.00 0.00 54.91 53.18 2a7o h ALA 101 Cb 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 17.79 18.07 2a7o h ALA 101 CO 0.00 0.94 -0.83 0.08 0.00 0.00 0.00 179.25 179.44 2a7o s VAL 102 N -2.52 2.00 -0.68 0.00 1.01 -1.26 -0.74 120.40 118.20 2a7o s VAL 102 Ca -0.18 -1.78 -0.26 0.00 0.00 0.00 0.00 61.98 59.75 2a7o s VAL 102 Cb 0.05 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.62 2a7o s VAL 102 CO 0.80 -0.10 1.19 -0.47 0.00 0.00 0.00 175.10 176.53 2a7o s TYR 103 N -1.45 2.44 -0.56 5.22 5.04 0.84 -4.60 117.35 124.29 2a7o s TYR 103 Ca 0.13 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 2a7o s TYR 103 Cb -0.09 -4.51 0.14 0.00 0.35 0.00 0.00 41.96 37.85 2a7o s TYR 103 CO 0.06 -1.86 0.33 -1.59 -1.34 0.00 0.00 175.55 171.15 2a7o s LYS 104 N 5.19 2.21 0.62 4.97 -2.85 -1.26 -4.62 119.74 124.00 2a7o s LYS 104 Ca 0.34 -2.58 0.36 0.00 -1.00 0.00 0.00 55.97 53.09 2a7o s LYS 104 Cb -0.10 -3.49 2.04 0.00 -2.06 0.00 0.00 37.83 34.23 2a7o s LYS 104 CO 0.17 -1.13 2.29 -1.00 0.10 0.00 0.00 175.35 175.77 2a7o h PRO 105 N 6.72 0.00 0.00 1.78 0.13 -1.98 0.67 132.00 139.33 2a7o h PRO 105 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2a7o h PRO 105 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2a7o h PRO 105 CO 0.70 0.01 -0.04 1.57 -0.23 0.00 0.00 178.00 180.00 2a7o h LYS 106 N 0.00 0.00 -0.47 0.86 2.10 -2.02 -1.53 116.57 115.51 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 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2a7o h LYS 106 CO 0.00 0.04 0.00 0.39 -2.00 0.00 0.00 179.45 177.88 2a7o n GLU 107 N -3.35 2.52 -1.43 0.07 -0.58 0.22 -5.01 120.64 113.08 2a7o n GLU 107 Ca -0.02 -2.32 -0.31 0.00 -0.42 0.00 0.00 57.16 54.09 2a7o n GLU 107 Cb 0.18 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.26 4.76 0.00 1.62 2.15 -0.58 -4.96 116.67 118.40 2a7o s ASP 108 Ca 0.39 1.62 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2a7o s ASP 108 Cb 0.22 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2a7o s ASP 108 CO 0.30 -1.84 0.43 1.07 -0.17 0.00 0.00 175.17 174.95