#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0g n ASP 3 N 1.01 -3.88 -0.02 0.00 -0.08 -1.26 -4.95 116.55 107.36 1q0g n ASP 3 Ca 0.13 0.18 -0.13 0.00 -1.51 0.00 0.00 54.79 53.46 1q0g n ASP 3 Cb 0.56 -2.17 -0.09 0.00 2.34 0.00 0.00 41.12 41.76 1q0g n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1q0g h LEU 4 N 0.00 0.12-10.13 -2.67 5.85 -2.03 -3.47 115.31 102.98 1q0g h LEU 4 Ca -0.17 -0.45 -0.49 0.00 0.84 0.00 0.00 57.88 57.61 1q0g h LEU 4 Cb 0.57 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1q0g h LEU 4 CO 0.24 0.54 0.13 -2.16 -0.34 0.00 0.00 178.44 176.85 1q0g s PRO 5 N -4.40 3.84 -0.02 5.25 0.04 -1.26 -5.13 135.00 133.31 1q0g s PRO 5 Ca -0.15 0.54 0.21 0.00 0.04 0.00 0.00 61.00 61.64 1q0g s PRO 5 Cb 0.03 -2.38 -0.31 0.00 0.04 0.00 0.00 34.50 31.88 1q0g s PRO 5 CO 0.70 -0.01 0.56 0.00 0.04 0.00 0.00 177.00 178.29 1q0g n GLY 7 N 1.33 0.73 3.40 0.00 0.00 -1.26 -4.95 105.19 104.44 1q0g n GLY 7 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1q0g n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0g s VAL 8 N -2.84 4.10 0.02 1.61 1.01 -1.26 -4.94 120.40 118.10 1q0g s VAL 8 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1q0g s VAL 8 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1q0g s VAL 8 CO 0.00 0.27 0.05 -0.31 0.00 0.00 0.00 175.10 175.11 1q0g s TYR 9 N 1.57 0.18 -0.30 5.22 2.02 -1.26 -0.69 117.35 124.08 1q0g s TYR 9 Ca 0.05 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1q0g s TYR 9 Cb -0.16 -0.14 0.17 0.00 -0.40 0.00 0.00 41.96 41.44 1q0g s TYR 9 CO 0.02 -0.26 0.78 0.34 -1.57 0.00 0.00 175.55 174.86 1q0g s ASP 10 N -1.60 -0.99 0.21 2.29 -1.08 -1.26 -5.00 116.67 109.25 1q0g s ASP 10 Ca -0.13 0.90 0.11 0.00 -0.52 0.00 0.00 52.55 52.91 1q0g s ASP 10 Cb -0.07 1.94 0.60 0.00 -1.46 0.00 0.00 42.92 43.94 1q0g s ASP 10 CO -0.01 -0.19 1.27 -2.65 0.52 0.00 0.00 175.17 174.11 1q0g n PRO 11 N 5.35 0.07 0.06 4.34 -0.02 -1.26 -1.44 135.00 142.12 1q0g n PRO 11 Ca -0.06 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1q0g n PRO 11 Cb 0.51 -1.88 0.61 0.00 -0.02 0.00 0.00 33.50 32.72 1q0g n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q0g h ALA 12 N 1.58 2.16 -0.16 3.55 0.00 -1.98 -0.44 119.26 123.97 1q0g h ALA 12 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q0g h ALA 12 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q0g h ALA 12 CO 0.00 -0.24 0.08 1.96 0.00 0.00 0.00 179.25 181.04 1q0g h GLN 13 N 0.15 0.23 -0.46 0.00 4.20 -1.68 0.56 115.11 118.09 1q0g h GLN 13 Ca 0.17 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1q0g h GLN 13 Cb 0.48 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1q0g h GLN 13 CO -0.02 0.27 0.10 0.00 -0.67 0.00 0.00 178.83 178.51 1q0g h ALA 14 N 0.94 0.61 -0.34 3.87 0.00 -1.49 -2.97 119.26 119.88 1q0g h ALA 14 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1q0g h ALA 14 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1q0g h ALA 14 CO -0.01 0.32 0.18 -0.09 0.00 0.00 0.00 179.25 179.64 1q0g h ARG 15 N 0.63 0.35 -0.71 0.00 2.43 -0.84 -1.22 114.38 115.02 1q0g h ARG 15 Ca 0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1q0g h ARG 15 Cb 0.35 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1q0g h ARG 15 CO 0.00 0.23 0.38 0.82 -1.51 0.00 0.00 179.97 179.90 1q0g h ILE 16 N 0.36 1.22 -0.28 1.20 2.04 -0.86 0.73 117.51 121.92 1q0g h ILE 16 Ca 0.14 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 1q0g h ILE 16 Cb 0.04 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1q0g h ILE 16 CO -0.09 0.24 -0.31 -0.33 0.00 0.00 0.00 178.15 177.67 1q0g h GLU 17 N 0.97 0.58 -0.11 2.37 4.39 -1.35 -2.17 114.58 119.26 1q0g h GLU 17 Ca 0.25 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1q0g h GLU 17 Cb 0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1q0g h GLU 17 CO -0.04 0.82 -0.35 0.00 -1.16 0.00 0.00 179.01 178.28 1q0g h ALA 18 N 1.17 1.21 -0.18 3.43 0.00 -0.68 -1.66 119.26 122.55 1q0g h ALA 18 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1q0g h ALA 18 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1q0g h ALA 18 CO 0.06 0.54 -0.39 0.93 0.00 0.00 0.00 179.25 180.39 1q0g h GLU 19 N 0.19 0.40 -0.51 0.00 5.08 -0.49 -2.12 114.58 117.14 1q0g h GLU 19 Ca 0.02 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1q0g h GLU 19 Cb 0.72 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1q0g h GLU 19 CO 0.05 0.73 -0.09 0.77 -1.00 0.00 0.00 179.01 179.47 1q0g h SER 20 N 0.34 0.93 0.04 1.42 0.02 -0.81 -0.58 113.55 114.89 1q0g h SER 20 Ca 0.03 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1q0g h SER 20 Cb 0.84 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1q0g h SER 20 CO 0.07 1.04 -0.07 0.58 -1.14 0.00 0.00 176.83 177.31 1q0g h VAL 21 N 0.84 0.84 -0.66 2.27 2.07 -0.89 0.15 116.25 120.87 1q0g h VAL 21 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1q0g h VAL 21 Cb 0.62 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1q0g h VAL 21 CO 0.04 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.39 1q0g h LYS 22 N -0.13 0.99 -0.85 1.57 3.64 -1.27 -1.65 116.57 118.87 1q0g h LYS 22 Ca 0.01 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1q0g h LYS 22 Cb 0.15 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1q0g h LYS 22 CO -0.04 0.83 0.56 0.00 -2.27 0.00 0.00 179.45 178.53 1q0g h ALA 23 N 1.11 1.43 -0.37 5.00 0.00 -0.81 -0.94 119.26 124.68 1q0g h ALA 23 Ca 0.22 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1q0g h ALA 23 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1q0g h ALA 23 CO -0.02 0.51 -0.34 0.82 0.00 0.00 0.00 179.25 180.22 1q0g h ILE 24 N 1.11 1.28 -0.69 0.00 2.04 -0.50 -1.98 117.51 118.77 1q0g h ILE 24 Ca 0.32 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 1q0g h ILE 24 Cb -0.06 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1q0g h ILE 24 CO -0.08 0.50 0.18 1.56 0.00 0.00 0.00 178.15 180.30 1q0g h GLN 25 N 0.70 1.10 -0.78 2.37 4.20 -0.54 0.77 115.11 122.93 1q0g h GLN 25 Ca 0.07 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1q0g h GLN 25 Cb 0.90 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1q0g h GLN 25 CO 0.08 0.96 0.30 0.93 -0.67 0.00 0.00 178.83 180.43 1q0g h GLU 26 N 1.04 1.18 -0.24 1.46 5.08 -1.03 -1.08 114.58 120.99 1q0g h GLU 26 Ca 0.22 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1q0g h GLU 26 Cb 0.35 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1q0g h GLU 26 CO -0.00 0.96 -0.38 0.87 -1.00 0.00 0.00 179.01 179.47 1q0g h LYS 27 N 1.14 0.54 -0.44 2.33 1.57 -0.82 -2.86 116.57 118.03 1q0g h LYS 27 Ca 0.26 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1q0g h LYS 27 Cb 0.24 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1q0g h LYS 27 CO -0.02 0.83 -0.06 0.52 -0.57 0.00 0.00 179.45 180.15 1q0g h MET 28 N 0.45 0.75 0.00 3.15 2.86 -0.39 -2.19 114.93 119.56 1q0g h MET 28 Ca 0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1q0g h MET 28 Cb 0.86 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1q0g h MET 28 CO 0.07 0.81 0.00 0.00 1.06 0.00 0.00 176.91 178.85 1q0g h ALA 29 N 1.24 1.00 -0.06 6.32 0.00 -0.99 -2.97 119.26 123.80 1q0g h ALA 29 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1q0g h ALA 29 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q0g h ALA 29 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1q0g n ALA 30 N -2.08 2.46 -3.41 0.00 0.00 -0.86 -4.86 120.51 111.74 1q0g n ALA 30 Ca -0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.60 1q0g n ALA 30 Cb 0.26 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1q0g n ALA 30 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q0g s ASN 31 N -1.56 1.23 -0.00 0.00 3.84 -0.97 -5.02 114.94 112.47 1q0g s ASN 31 Ca 0.23 -0.38 0.08 0.00 0.21 0.00 0.00 52.86 53.01 1q0g s ASN 31 Cb 0.16 0.62 0.24 0.00 -0.55 0.00 0.00 41.25 41.72 1q0g s ASN 31 CO 0.24 -0.35 1.19 -0.90 -2.79 0.00 0.00 177.10 174.49 1q0g n ASP 32 N 5.33 1.45 -4.72 -4.21 5.68 -1.26 -4.66 116.55 114.16 1q0g n ASP 32 Ca -0.03 -2.01 -0.42 0.00 -0.50 0.00 0.00 54.79 51.83 1q0g n ASP 32 Cb 0.48 -0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 1q0g n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1q0g n ASP 33 N 0.28 3.92 -0.02 -1.12 2.03 -1.26 -4.86 116.55 115.52 1q0g n ASP 33 Ca 0.09 1.09 -0.09 0.00 0.52 0.00 0.00 54.79 56.40 1q0g n ASP 33 Cb 0.23 -1.57 -0.03 0.00 -0.72 0.00 0.00 41.12 39.03 1q0g n ASP 33 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0g h LEU 34 N 6.16 -0.35 -1.08 -2.67 5.85 -1.99 0.22 115.31 121.45 1q0g h LEU 34 Ca -0.44 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1q0g h LEU 34 Cb 1.21 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1q0g h LEU 34 CO 0.91 -0.14 0.18 0.45 -0.34 0.00 0.00 178.44 179.50 1q0g h HIS 35 N -0.11 0.85 -0.48 1.25 3.86 -2.00 -0.64 115.15 117.89 1q0g h HIS 35 Ca 0.10 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1q0g h HIS 35 Cb 0.25 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1q0g h HIS 35 CO -0.25 0.68 -0.07 0.35 0.86 0.00 0.00 177.93 179.51 1q0g h PHE 36 N 0.82 1.00 -0.96 2.45 3.57 -1.85 -1.54 116.94 120.42 1q0g h PHE 36 Ca 0.19 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1q0g h PHE 36 Cb 0.23 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1q0g h PHE 36 CO 0.01 0.96 0.63 1.96 -2.23 0.00 0.00 178.31 179.64 1q0g h GLN 37 N 0.75 1.27 0.11 1.11 1.08 -0.31 0.24 115.11 119.36 1q0g h GLN 37 Ca 0.13 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1q0g h GLN 37 Cb 0.61 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1q0g h GLN 37 CO 0.04 0.85 -0.05 0.82 -0.95 0.00 0.00 178.83 179.54 1q0g h ILE 38 N 1.31 1.05 -0.82 2.54 2.04 -0.93 -0.66 117.51 122.03 1q0g h ILE 38 Ca 0.35 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1q0g h ILE 38 Cb -0.14 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1q0g h ILE 38 CO -0.07 0.15 0.54 0.03 0.00 0.00 0.00 178.15 178.80 1q0g h ARG 39 N -0.44 1.08 -0.67 2.37 3.08 -1.04 -0.74 114.38 118.03 1q0g h ARG 39 Ca -0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1q0g h ARG 39 Cb 0.36 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1q0g h ARG 39 CO 0.02 0.71 0.32 0.00 -1.07 0.00 0.00 179.97 179.96 1q0g h ALA 40 N 1.31 0.86 -0.19 0.04 0.00 -0.45 -1.09 119.26 119.73 1q0g h ALA 40 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1q0g h ALA 40 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1q0g h ALA 40 CO -0.07 0.42 0.09 1.15 0.00 0.00 0.00 179.25 180.84 1q0g h THR 41 N 0.92 1.14 -0.17 0.00 2.02 -0.58 0.93 112.91 117.18 1q0g h THR 41 Ca 0.23 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1q0g h THR 41 Cb 0.12 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1q0g h THR 41 CO -0.03 0.14 -0.02 0.58 0.37 0.00 0.00 175.52 176.56 1q0g h VAL 42 N 0.17 0.86 -0.35 3.16 2.07 -0.94 -1.67 116.25 119.55 1q0g h VAL 42 Ca 0.06 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.43 1q0g h VAL 42 Cb 0.14 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1q0g h VAL 42 CO -0.01 0.01 -0.36 0.40 0.02 0.00 0.00 177.57 177.63 1q0g h ILE 43 N 0.04 1.28 -0.74 4.57 2.04 -1.09 -2.67 117.51 120.94 1q0g h ILE 43 Ca 0.08 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1q0g h ILE 43 Cb 0.11 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1q0g h ILE 43 CO -0.15 0.50 0.37 0.50 0.00 0.00 0.00 178.15 179.37 1q0g h LYS 44 N 0.68 1.05 -0.47 2.37 3.64 -0.65 -1.09 116.57 122.10 1q0g h LYS 44 Ca 0.06 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1q0g h LYS 44 Cb 0.92 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1q0g h LYS 44 CO 0.08 0.80 0.26 1.49 -2.27 0.00 0.00 179.45 179.81 1q0g h GLU 45 N 1.04 0.66 -0.40 1.90 4.57 -1.14 -1.01 114.58 120.20 1q0g h GLU 45 Ca 0.26 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1q0g h GLU 45 Cb 0.08 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1q0g h GLU 45 CO -0.04 0.52 0.09 1.96 -1.18 0.00 0.00 179.01 180.37 1q0g h GLN 46 N 0.63 0.65 -0.19 1.92 4.20 -1.07 -1.87 115.11 119.37 1q0g h GLN 46 Ca 0.17 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1q0g h GLN 46 Cb 0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1q0g h GLN 46 CO -0.03 0.68 -0.51 0.00 -0.67 0.00 0.00 178.83 178.30 1q0g h ARG 47 N 0.51 0.55 -0.38 1.46 2.47 -1.10 -2.22 114.38 115.67 1q0g h ARG 47 Ca 0.13 -0.33 -0.09 0.00 -1.26 0.00 0.00 59.98 58.43 1q0g h ARG 47 Cb 0.33 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1q0g h ARG 47 CO 0.00 0.93 -0.15 0.00 0.56 0.00 0.00 179.97 181.31 1q0g h ALA 48 N 1.01 1.03 -0.65 0.04 0.00 -1.12 -1.32 119.26 118.25 1q0g h ALA 48 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1q0g h ALA 48 Cb 1.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1q0g h ALA 48 CO 0.10 0.58 0.07 1.49 0.00 0.00 0.00 179.25 181.49 1q0g h GLU 49 N 0.62 1.11 -0.71 0.00 4.57 -1.17 -1.03 114.58 117.96 1q0g h GLU 49 Ca 0.10 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 1q0g h GLU 49 Cb 0.61 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1q0g h GLU 49 CO 0.04 1.03 0.17 -0.07 -1.18 0.00 0.00 179.01 179.01 1q0g h LEU 50 N 1.02 1.08 -0.74 1.64 3.38 -1.07 -0.95 115.31 119.68 1q0g h LEU 50 Ca 0.19 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1q0g h LEU 50 Cb 0.49 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1q0g h LEU 50 CO 0.02 1.04 0.33 0.00 0.09 0.00 0.00 178.44 179.91 1q0g h ALA 51 N 1.09 0.96 -0.56 1.53 0.00 -0.83 -0.76 119.26 120.68 1q0g h ALA 51 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1q0g h ALA 51 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1q0g h ALA 51 CO 0.00 0.56 0.26 0.87 0.00 0.00 0.00 179.25 180.94 1q0g h LYS 52 N 1.06 0.82 -0.28 0.00 1.57 -0.87 -1.85 116.57 117.02 1q0g h LYS 52 Ca 0.25 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1q0g h LYS 52 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1q0g h LYS 52 CO -0.03 0.68 0.13 1.25 -0.57 0.00 0.00 179.45 180.91 1q0g h HIS 53 N 0.76 0.24 -0.97 -1.35 2.76 -0.67 0.37 115.15 116.30 1q0g h HIS 53 Ca 0.19 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1q0g h HIS 53 Cb 0.14 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 1q0g h HIS 53 CO -0.00 0.13 0.63 0.45 -1.30 0.00 0.00 177.93 177.84 1q0g h HIS 54 N 0.28 1.23 -0.40 5.26 3.86 -0.88 -0.86 115.15 123.64 1q0g h HIS 54 Ca 0.12 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1q0g h HIS 54 Cb 0.05 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1q0g h HIS 54 CO -0.10 0.78 -0.33 -0.07 0.86 0.00 0.00 177.93 179.07 1q0g h LEU 55 N 1.32 0.96 -1.14 2.43 3.38 -0.93 -2.49 115.31 118.84 1q0g h LEU 55 Ca 0.35 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1q0g h LEU 55 Cb -0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.30 1q0g h LEU 55 CO -0.07 1.20 0.59 0.44 0.09 0.00 0.00 178.44 180.68 1q0g h ASP 56 N 0.76 1.01 -0.49 -0.43 3.32 -0.34 -1.25 116.42 119.00 1q0g h ASP 56 Ca 0.07 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1q0g h ASP 56 Cb 0.91 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1q0g h ASP 56 CO 0.08 0.72 0.09 0.58 -1.72 0.00 0.00 179.24 179.00 1q0g h VAL 57 N 1.19 1.25 -0.51 -1.35 2.07 -0.99 0.13 116.25 118.04 1q0g h VAL 57 Ca 0.33 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1q0g h VAL 57 Cb -0.12 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1q0g h VAL 57 CO -0.07 0.32 0.31 -0.07 0.02 0.00 0.00 177.57 178.07 1q0g h LEU 58 N 0.67 0.61 -0.30 2.57 3.38 -0.96 0.22 115.31 121.50 1q0g h LEU 58 Ca 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1q0g h LEU 58 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1q0g h LEU 58 CO 0.01 0.49 0.04 -0.25 0.09 0.00 0.00 178.44 178.82 1q0g h TRP 59 N 0.68 0.54 0.13 1.13 7.01 -0.99 -0.87 115.95 123.57 1q0g h TRP 59 Ca 0.18 -0.08 -0.30 0.00 2.11 0.00 0.00 58.89 60.80 1q0g h TRP 59 Cb -0.01 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1q0g h TRP 59 CO -0.03 0.60 -1.48 0.66 -2.79 0.00 0.00 178.44 175.40 1q0g h SER 60 N 0.32 0.42 0.00 2.65 4.64 -0.64 -3.39 113.55 117.55 1q0g h SER 60 Ca 0.09 -0.55 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 1q0g h SER 60 Cb 0.36 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1q0g h SER 60 CO 0.01 1.45 -2.18 0.47 -0.87 0.00 0.00 176.83 175.71 1q0g n ASP 61 N -3.48 1.95 0.11 4.97 9.92 0.76 -4.81 116.55 125.98 1q0g n ASP 61 Ca -0.15 0.34 -0.10 0.00 -0.53 0.00 0.00 54.79 54.35 1q0g n ASP 61 Cb 1.04 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 40.66 1q0g n ASP 61 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1q0g h TYR 62 N -1.00 -0.34 -2.88 1.24 3.20 -1.35 -3.44 116.97 112.40 1q0g h TYR 62 Ca -0.54 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.80 1q0g h TYR 62 Cb 1.47 0.11 0.03 0.00 1.54 0.00 0.00 36.73 39.88 1q0g h TYR 62 CO -0.17 -0.01 0.83 -0.06 -1.64 0.00 0.00 178.16 177.11 1q0g s PHE 63 N -3.47 3.04 0.35 -3.82 0.08 -0.37 -5.01 117.98 108.78 1q0g s PHE 63 Ca -0.11 0.73 0.08 0.00 0.12 0.00 0.00 56.93 57.75 1q0g s PHE 63 Cb 0.01 -3.81 -0.03 0.00 -0.57 0.00 0.00 43.02 38.61 1q0g s PHE 63 CO 0.38 -2.98 0.24 0.15 -0.10 0.00 0.00 175.22 172.91 1q0g s LYS 64 N 1.41 2.53 0.30 0.44 -0.14 -1.26 -4.79 119.74 118.22 1q0g s LYS 64 Ca 0.68 -1.47 0.05 0.00 -1.36 0.00 0.00 55.97 53.87 1q0g s LYS 64 Cb -0.40 -2.31 0.81 0.00 -1.68 0.00 0.00 37.83 34.25 1q0g s LYS 64 CO 0.31 0.04 1.64 -1.35 -0.76 0.00 0.00 175.35 175.23 1q0g h PRO 65 N 1.34 0.19 -0.55 -1.68 0.11 -1.99 0.11 132.00 129.53 1q0g h PRO 65 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1q0g h PRO 65 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1q0g h PRO 65 CO 0.61 0.13 0.37 -1.35 -0.21 0.00 0.00 178.00 177.54 1q0g h PRO 66 N 0.20 0.68 -0.49 1.05 0.11 -1.99 -1.73 132.00 129.84 1q0g h PRO 66 Ca 0.60 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.59 1q0g h PRO 66 Cb 1.27 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1q0g h PRO 66 CO -0.68 0.45 -0.00 0.45 -0.21 0.00 0.00 178.00 178.01 1q0g h HIS 67 N 0.70 0.95 0.00 0.65 3.86 -1.18 -0.57 115.15 119.55 1q0g h HIS 67 Ca 0.21 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1q0g h HIS 67 Cb -0.01 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1q0g h HIS 67 CO -0.00 0.89 -0.18 0.74 0.86 0.00 0.00 177.93 180.24 1q0g h PHE 68 N 0.72 0.00 0.04 2.45 0.04 -1.24 0.82 116.94 119.78 1q0g h PHE 68 Ca 0.14 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.68 1q0g h PHE 68 Cb 0.52 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.69 1q0g h PHE 68 CO 0.04 0.18 -0.91 1.49 -0.60 0.00 0.00 178.31 178.51 1q0g h GLU 69 N 0.00 0.54 0.00 1.51 4.22 -0.87 -3.06 114.58 116.93 1q0g h GLU 69 Ca -0.00 -0.64 -0.14 0.00 0.08 0.00 0.00 59.36 58.66 1q0g h GLU 69 Cb 0.64 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1q0g h GLU 69 CO 0.02 1.25 -0.67 0.77 -2.18 0.00 0.00 179.01 178.21 1q0g h SER 70 N 0.11 0.00 -2.89 1.04 0.02 -0.82 -3.36 113.55 107.66 1q0g h SER 70 Ca -0.12 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.21 1q0g h SER 70 Cb 1.60 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.73 1q0g h SER 70 CO 0.18 0.67 -0.64 -1.22 -1.14 0.00 0.00 176.83 174.67 1q0g n TYR 71 N -3.69 2.61 0.23 3.45 4.01 0.26 -4.96 117.16 119.06 1q0g n TYR 71 Ca -0.01 -4.14 0.17 0.00 -0.16 0.00 0.00 57.90 53.76 1q0g n TYR 71 Cb 0.67 -0.48 0.73 0.00 -0.31 0.00 0.00 39.34 39.94 1q0g n TYR 71 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1q0g h PRO 72 N 5.30 0.00 -0.03 -0.72 0.11 -1.69 -0.22 132.00 134.75 1q0g h PRO 72 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1q0g h PRO 72 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1q0g h PRO 72 CO 0.67 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1q0g n GLU 73 N -3.16 2.16 -0.16 1.05 -0.58 -1.26 -4.53 120.64 114.16 1q0g n GLU 73 Ca 0.02 -1.68 -0.06 0.00 -0.42 0.00 0.00 57.16 55.02 1q0g n GLU 73 Cb 0.55 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.98 1q0g n GLU 73 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1q0g h LEU 74 N 4.11 0.46 -0.25 -4.62 5.85 -1.35 0.09 115.31 119.59 1q0g h LEU 74 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1q0g h LEU 74 Cb 0.87 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1q0g h LEU 74 CO 0.00 0.33 0.04 0.45 -0.34 0.00 0.00 178.44 178.91 1q0g h HIS 75 N 0.57 0.06 -0.60 1.25 3.86 -1.80 -1.28 115.15 117.22 1q0g h HIS 75 Ca 0.20 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1q0g h HIS 75 Cb 0.02 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1q0g h HIS 75 CO -0.07 0.01 0.38 1.15 0.86 0.00 0.00 177.93 180.26 1q0g h THR 76 N 0.13 1.17 -0.09 2.45 2.02 -1.78 -1.73 112.91 115.08 1q0g h THR 76 Ca 0.12 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1q0g h THR 76 Cb 0.13 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1q0g h THR 76 CO -0.17 0.17 0.05 0.25 0.37 0.00 0.00 175.52 176.19 1q0g h LEU 77 N 0.82 0.10 -0.65 2.58 5.85 -0.53 0.01 115.31 123.49 1q0g h LEU 77 Ca 0.22 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1q0g h LEU 77 Cb -0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1q0g h LEU 77 CO -0.04 0.09 0.16 0.58 -0.34 0.00 0.00 178.44 178.89 1q0g h VAL 78 N 0.10 1.26 -0.78 1.05 2.07 -1.16 -0.68 116.25 118.09 1q0g h VAL 78 Ca 0.03 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1q0g h VAL 78 Cb 0.01 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1q0g h VAL 78 CO -0.01 0.35 0.45 -1.13 0.02 0.00 0.00 177.57 177.26 1q0g h ASN 79 N 0.96 0.96 -0.37 0.57 -0.73 -1.07 -0.69 115.58 115.22 1q0g h ASN 79 Ca 0.20 -0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 1q0g h ASN 79 Cb 0.36 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1q0g h ASN 79 CO 0.00 0.77 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.49 1q0g h GLU 80 N 1.08 0.75 -0.33 6.67 5.08 -0.68 -1.79 114.58 125.36 1q0g h GLU 80 Ca 0.28 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1q0g h GLU 80 Cb -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1q0g h GLU 80 CO -0.05 0.76 0.02 0.00 -1.00 0.00 0.00 179.01 178.75 1q0g h ALA 81 N 1.29 0.44 -0.10 3.43 0.00 -0.24 -0.50 119.26 123.58 1q0g h ALA 81 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1q0g h ALA 81 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1q0g h ALA 81 CO 0.02 0.18 -0.43 -0.39 0.00 0.00 0.00 179.25 178.63 1q0g h VAL 82 N 0.38 1.32 -0.16 0.00 -1.51 -1.04 -2.16 116.25 113.08 1q0g h VAL 82 Ca 0.10 -1.57 -0.09 0.00 -1.23 0.00 0.00 66.70 63.90 1q0g h VAL 82 Cb 0.41 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1q0g h VAL 82 CO 0.01 0.47 -0.32 0.11 -1.23 0.00 0.00 177.57 176.61 1q0g h LYS 83 N 0.20 0.31 -0.36 5.19 1.57 -1.11 -1.60 116.57 120.77 1q0g h LYS 83 Ca 0.02 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1q0g h LYS 83 Cb 0.85 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1q0g h LYS 83 CO 0.07 0.61 -0.10 0.00 -0.57 0.00 0.00 179.45 179.45 1q0g h ALA 84 N 1.39 1.16 -0.29 3.86 0.00 -0.58 -0.79 119.26 124.01 1q0g h ALA 84 Ca 0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1q0g h ALA 84 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1q0g h ALA 84 CO 0.05 0.54 -0.40 -0.07 0.00 0.00 0.00 179.25 179.37 1q0g h LEU 85 N 0.56 0.74 -0.82 0.00 3.38 -0.79 -1.02 115.31 117.36 1q0g h LEU 85 Ca 0.10 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1q0g h LEU 85 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1q0g h LEU 85 CO 0.03 1.05 0.25 0.28 0.09 0.00 0.00 178.44 180.15 1q0g h SER 86 N 0.57 1.05 -0.16 -0.43 0.02 -0.81 -1.60 113.55 112.19 1q0g h SER 86 Ca 0.05 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1q0g h SER 86 Cb 0.94 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1q0g h SER 86 CO 0.09 0.96 -0.10 0.00 -1.14 0.00 0.00 176.83 176.63 1q0g h ALA 87 N 1.18 1.25 -0.24 3.77 0.00 -0.85 -2.51 119.26 121.86 1q0g h ALA 87 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1q0g h ALA 87 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q0g h ALA 87 CO -0.01 0.49 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 1q0g h ALA 88 N 1.41 1.01 -0.89 0.00 0.00 -0.52 -2.65 119.26 117.63 1q0g h ALA 88 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1q0g h ALA 88 Cb 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1q0g h ALA 88 CO 0.03 0.59 0.58 0.87 0.00 0.00 0.00 179.25 181.32 1q0g h LYS 89 N 0.43 1.17 -0.33 0.00 1.57 -0.87 -2.43 116.57 116.11 1q0g h LYS 89 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1q0g h LYS 89 Cb 0.76 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1q0g h LYS 89 CO 0.06 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 1q0g n ALA 90 N -2.35 2.54 -2.51 3.86 0.00 -1.02 -4.88 120.51 116.15 1q0g n ALA 90 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1q0g n ALA 90 Cb 0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 1q0g n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q0g s SER 91 N -0.87 0.79 0.00 0.00 0.15 -0.92 -5.01 113.70 107.84 1q0g s SER 91 Ca 0.15 -0.77 0.10 0.00 0.70 0.00 0.00 55.95 56.12 1q0g s SER 91 Cb 0.08 0.09 0.15 0.00 -1.71 0.00 0.00 66.02 64.63 1q0g s SER 91 CO 0.09 -0.38 0.96 0.35 1.20 0.00 0.00 173.24 175.46 1q0g n THR 92 N 0.74 0.36 -2.85 6.45 -2.24 -1.26 -4.89 114.28 110.59 1q0g n THR 92 Ca -0.18 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 1q0g n THR 92 Cb 0.58 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1q0g n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q0g s ASP 93 N -0.88 6.65 0.64 3.42 -1.08 -1.26 -4.64 116.67 119.51 1q0g s ASP 93 Ca 0.15 0.53 0.30 0.00 -0.52 0.00 0.00 52.55 53.00 1q0g s ASP 93 Cb 0.09 -2.44 1.60 0.00 -1.46 0.00 0.00 42.92 40.70 1q0g s ASP 93 CO 0.13 -0.81 1.93 -0.65 0.52 0.00 0.00 175.17 176.29 1q0g h PRO 94 N 8.46 0.00 0.00 4.34 0.11 -1.88 0.51 132.00 143.53 1q0g h PRO 94 Ca -0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1q0g h PRO 94 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1q0g h PRO 94 CO 0.96 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.55 1q0g h ALA 95 N 1.41 1.65 -0.22 -0.75 0.00 -1.97 -0.38 119.26 119.01 1q0g h ALA 95 Ca 0.07 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1q0g h ALA 95 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1q0g h ALA 95 CO -0.00 0.25 -0.65 1.79 0.00 0.00 0.00 179.25 180.64 1q0g h THR 96 N 0.00 1.28 -0.48 0.00 1.35 -1.29 -1.25 112.91 112.52 1q0g h THR 96 Ca -0.00 -1.85 -0.08 0.00 -0.55 0.00 0.00 66.41 63.92 1q0g h THR 96 Cb 0.36 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1q0g h THR 96 CO 0.03 0.59 -0.04 1.23 -0.25 0.00 0.00 175.52 177.08 1q0g h GLY 97 N 0.69 0.88 1.48 5.82 0.00 -1.48 -2.64 103.07 107.81 1q0g h GLY 97 Ca -0.02 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1q0g h GLY 97 CO 0.14 0.57 -0.26 -1.61 0.00 0.00 0.00 176.54 175.38 1q0g h GLN 98 N 0.75 0.60 -0.91 4.80 5.75 -0.94 -2.10 115.11 123.06 1q0g h GLN 98 Ca 0.14 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1q0g h GLN 98 Cb 0.51 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1q0g h GLN 98 CO 0.03 0.81 0.58 -0.22 -2.65 0.00 0.00 178.83 177.38 1q0g h LYS 99 N 0.53 1.22 -0.51 1.69 3.64 -0.89 0.74 116.57 122.99 1q0g h LYS 99 Ca 0.07 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1q0g h LYS 99 Cb 0.73 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1q0g h LYS 99 CO 0.06 0.83 0.08 0.00 -2.27 0.00 0.00 179.45 178.14 1q0g h ALA 100 N 1.32 0.67 -0.51 5.00 0.00 -1.19 -2.45 119.26 122.09 1q0g h ALA 100 Ca 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1q0g h ALA 100 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1q0g h ALA 100 CO -0.07 0.41 0.17 -0.07 0.00 0.00 0.00 179.25 179.70 1q0g h LEU 101 N 0.72 0.69 -0.59 0.00 3.38 -0.66 -1.22 115.31 117.63 1q0g h LEU 101 Ca 0.15 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1q0g h LEU 101 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1q0g h LEU 101 CO 0.01 0.65 0.13 0.44 0.09 0.00 0.00 178.44 179.76 1q0g h ASP 102 N 0.74 0.90 -0.52 -0.43 3.32 -0.56 -1.01 116.42 118.86 1q0g h ASP 102 Ca 0.17 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1q0g h ASP 102 Cb 0.20 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1q0g h ASP 102 CO -0.01 0.91 0.05 1.88 -1.72 0.00 0.00 179.24 180.35 1q0g h TYR 103 N 0.86 0.95 -0.65 4.55 0.05 -1.03 -2.74 116.97 118.95 1q0g h TYR 103 Ca 0.18 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1q0g h TYR 103 Cb 0.37 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1q0g h TYR 103 CO 0.03 0.87 0.38 0.82 -1.05 0.00 0.00 178.16 179.20 1q0g h ILE 104 N 0.76 1.19 -0.79 -2.88 2.04 -0.96 -1.42 117.51 115.45 1q0g h ILE 104 Ca 0.15 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1q0g h ILE 104 Cb 0.45 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1q0g h ILE 104 CO 0.02 0.20 0.40 0.00 0.00 0.00 0.00 178.15 178.77 1q0g h ALA 105 N 1.52 1.22 -0.42 1.87 0.00 -0.91 0.21 119.26 122.76 1q0g h ALA 105 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1q0g h ALA 105 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1q0g h ALA 105 CO -0.04 0.61 -0.16 1.96 0.00 0.00 0.00 179.25 181.62 1q0g h GLN 106 N 1.11 0.78 -0.35 0.00 4.20 -1.03 -1.52 115.11 118.30 1q0g h GLN 106 Ca 0.28 -0.28 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1q0g h GLN 106 Cb 0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1q0g h GLN 106 CO -0.04 0.89 -0.39 0.82 -0.67 0.00 0.00 178.83 179.44 1q0g h ILE 107 N 0.70 1.28 -0.78 2.54 2.04 -0.61 -2.65 117.51 120.03 1q0g h ILE 107 Ca 0.11 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1q0g h ILE 107 Cb 0.66 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1q0g h ILE 107 CO 0.05 0.52 0.39 -0.78 0.00 0.00 0.00 178.15 178.33 1q0g h ASP 108 N 0.70 1.01 -0.32 1.72 1.82 -0.35 0.12 116.42 121.13 1q0g h ASP 108 Ca 0.06 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1q0g h ASP 108 Cb 0.97 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1q0g h ASP 108 CO 0.09 0.85 0.18 0.50 -1.61 0.00 0.00 179.24 179.25 1q0g h LYS 109 N 1.10 0.44 -0.54 0.28 3.64 -1.16 -1.85 116.57 118.48 1q0g h LYS 109 Ca 0.27 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1q0g h LYS 109 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1q0g h LYS 109 CO -0.04 0.36 -0.01 0.82 -2.27 0.00 0.00 179.45 178.31 1q0g h ILE 110 N 0.40 1.26 0.02 2.00 2.04 -1.16 -2.33 117.51 119.74 1q0g h ILE 110 Ca 0.11 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.88 1q0g h ILE 110 Cb 0.04 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1q0g h ILE 110 CO -0.02 0.40 -0.27 0.15 0.00 0.00 0.00 178.15 178.41 1q0g h PHE 111 N 0.83 -0.73 0.00 1.37 3.57 -0.48 -1.08 116.94 120.43 1q0g h PHE 111 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1q0g h PHE 111 Cb 0.55 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1q0g h PHE 111 CO 0.04 -0.36 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.08 1q0g h TRP 112 N -0.42 0.00 -0.32 0.41 4.06 -1.31 -2.06 115.95 116.31 1q0g h TRP 112 Ca 0.06 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.90 1q0g h TRP 112 Cb 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1q0g h TRP 112 CO -0.29 0.19 -0.23 0.93 -3.56 0.00 0.00 178.44 175.48 1q0g h GLU 113 N 0.00 0.72 0.00 0.49 5.08 -0.79 0.67 114.58 120.75 1q0g h GLU 113 Ca -0.00 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1q0g h GLU 113 Cb 0.44 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1q0g h GLU 113 CO 0.02 0.96 -0.23 1.79 -1.00 0.00 0.00 179.01 180.56 1q0g h THR 114 N 0.48 0.85 0.10 1.13 1.35 -0.72 -2.13 112.91 113.97 1q0g h THR 114 Ca 0.06 -0.88 -0.24 0.00 -0.55 0.00 0.00 66.41 64.80 1q0g h THR 114 Cb 0.78 1.52 0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1q0g h THR 114 CO 0.06 0.22 -0.99 0.11 -0.25 0.00 0.00 175.52 174.67 1q0g h LYS 115 N 0.00 0.50 -0.12 4.72 1.79 -1.06 -3.25 116.57 119.16 1q0g h LYS 115 Ca -0.00 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1q0g h LYS 115 Cb 0.50 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1q0g h LYS 115 CO 0.03 1.28 0.00 0.36 -1.08 0.00 0.00 179.45 180.04 1q0g n LYS 116 N -3.97 1.32 0.00 3.15 2.85 0.20 -5.10 118.16 116.61 1q0g n LYS 116 Ca -0.13 -0.50 0.14 0.00 -1.05 0.00 0.00 58.31 56.77 1q0g n LYS 116 Cb 0.87 -1.19 0.51 0.00 -0.65 0.00 0.00 35.03 34.58 1q0g n LYS 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35