#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 0.63 -3.82 -0.05 0.00 -0.08 -1.26 -4.95 116.55 107.02 1q0g n ASP 3 Ca 0.13 0.11 -0.11 0.00 -1.51 0.00 0.00 54.79 53.40 1q0g n ASP 3 Cb 0.51 -1.70 -0.05 0.00 2.34 0.00 0.00 41.12 42.22 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 0.28-10.28 -2.67 5.85 -2.03 -3.46 115.31 102.99 1q0g h LEU 4 Ca -0.09 -0.25 -0.50 0.00 0.84 0.00 0.00 57.88 57.88 1q0g h LEU 4 Cb 0.38 -0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.37 1q0g h LEU 4 CO 0.13 0.46 0.22 -2.16 -0.34 0.00 0.00 178.44 176.75 1q0g s PRO 5 N -5.20 3.64 -0.02 5.25 0.04 -1.26 -5.13 135.00 132.31 1q0g s PRO 5 Ca -0.14 0.47 0.19 0.00 0.04 0.00 0.00 61.00 61.56 1q0g s PRO 5 Cb 0.07 -2.28 -0.29 0.00 0.04 0.00 0.00 34.50 32.04 1q0g s PRO 5 CO 0.72 -0.28 0.45 0.00 0.04 0.00 0.00 177.00 177.93 1q0g n GLY 7 N 1.42 0.61 3.27 0.00 0.00 -1.26 -4.95 105.19 104.28 1q0g n GLY 7 Ca -0.03 0.00 -0.36 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 -2.32 3.49 0.02 1.61 1.01 -1.26 -4.96 120.40 117.99 1q0g s VAL 8 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1q0g s VAL 8 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1q0g s VAL 8 CO 0.00 0.09 -0.04 -0.31 0.00 0.00 0.00 175.10 174.84 1q0g s TYR 9 N 1.41 0.30 -0.30 5.22 2.02 -1.26 -1.05 117.35 123.69 1q0g s TYR 9 Ca 0.01 -0.52 -0.12 0.00 -0.37 0.00 0.00 57.07 56.07 1q0g s TYR 9 Cb -0.17 -0.21 0.14 0.00 -0.40 0.00 0.00 41.96 41.31 1q0g s TYR 9 CO -0.00 -0.17 0.75 0.34 -1.57 0.00 0.00 175.55 174.89 1q0g s ASP 10 N -1.45 -0.97 0.12 2.29 -1.08 -1.26 -5.01 116.67 109.32 1q0g s ASP 10 Ca -0.15 1.35 0.08 0.00 -0.52 0.00 0.00 52.55 53.31 1q0g s ASP 10 Cb -0.10 2.08 0.45 0.00 -1.46 0.00 0.00 42.92 43.90 1q0g s ASP 10 CO -0.01 -0.19 1.26 -2.65 0.52 0.00 0.00 175.17 174.10 1q0g n PRO 11 N 5.26 0.05 0.17 4.34 -0.02 -1.26 -2.14 135.00 141.40 1q0g n PRO 11 Ca -0.11 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1q0g n PRO 11 Cb 0.50 -1.68 0.66 0.00 -0.02 0.00 0.00 33.50 32.97 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 2.01 2.16 -0.24 3.55 0.00 -1.98 -0.62 119.26 124.14 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 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1q0g h ALA 12 CO 0.00 -0.23 0.10 1.96 0.00 0.00 0.00 179.25 181.08 1q0g h GLN 13 N 0.00 0.36 -0.42 0.00 4.20 -1.86 0.07 115.11 117.46 1q0g h GLN 13 Ca 0.09 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1q0g h GLN 13 Cb 0.35 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1q0g h GLN 13 CO -0.00 0.40 0.05 0.00 -0.67 0.00 0.00 178.83 178.61 1q0g h ALA 14 N 0.94 0.56 -0.29 3.87 0.00 -1.53 -2.98 119.26 119.82 1q0g h ALA 14 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1q0g h ALA 14 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q0g h ALA 14 CO -0.01 0.29 0.18 -0.09 0.00 0.00 0.00 179.25 179.62 1q0g h ARG 15 N 0.55 0.36 -0.96 0.00 2.43 -0.92 -1.01 114.38 114.82 1q0g h ARG 15 Ca 0.12 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1q0g h ARG 15 Cb 0.41 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1q0g h ARG 15 CO 0.01 0.24 0.59 0.82 -1.51 0.00 0.00 179.97 180.12 1q0g h ILE 16 N 0.37 1.26 -0.27 1.20 2.04 -0.98 0.17 117.51 121.30 1q0g h ILE 16 Ca 0.11 -0.55 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 1q0g h ILE 16 Cb -0.02 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 35.94 1q0g h ILE 16 CO -0.04 0.27 -0.48 -0.33 0.00 0.00 0.00 178.15 177.57 1q0g h GLU 17 N 1.33 0.73 -0.03 2.37 4.39 -1.35 -2.27 114.58 119.74 1q0g h GLU 17 Ca 0.35 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1q0g h GLU 17 Cb -0.08 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1q0g h GLU 17 CO -0.07 1.04 -0.37 0.00 -1.16 0.00 0.00 179.01 178.46 1q0g h ALA 18 N 0.88 1.33 -0.32 3.43 0.00 -0.61 -1.65 119.26 122.32 1q0g h ALA 18 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1q0g h ALA 18 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1q0g h ALA 18 CO 0.10 0.49 -0.26 0.93 0.00 0.00 0.00 179.25 180.51 1q0g h GLU 19 N 0.06 0.65 -0.59 0.00 5.08 -0.40 -1.97 114.58 117.41 1q0g h GLU 19 Ca 0.00 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1q0g h GLU 19 Cb 0.68 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1q0g h GLU 19 CO 0.05 0.85 0.09 0.77 -1.00 0.00 0.00 179.01 179.77 1q0g h SER 20 N 0.57 0.95 -0.05 1.42 0.02 -0.83 0.21 113.55 115.83 1q0g h SER 20 Ca 0.08 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1q0g h SER 20 Cb 0.74 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1q0g h SER 20 CO 0.06 0.97 -0.09 0.58 -1.14 0.00 0.00 176.83 177.21 1q0g h VAL 21 N 0.88 0.75 -0.52 2.27 2.07 -0.97 -0.11 116.25 120.63 1q0g h VAL 21 Ca 0.18 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 1q0g h VAL 21 Cb 0.43 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1q0g h VAL 21 CO 0.01 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.06 1q0g h LYS 22 N -0.14 0.93 -0.83 1.57 3.64 -1.20 -2.06 116.57 118.48 1q0g h LYS 22 Ca 0.05 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1q0g h LYS 22 Cb 0.21 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1q0g h LYS 22 CO -0.13 0.94 0.51 0.00 -2.27 0.00 0.00 179.45 178.50 1q0g h ALA 23 N 1.10 1.33 -0.47 5.00 0.00 -0.62 -0.87 119.26 124.72 1q0g h ALA 23 Ca 0.15 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1q0g h ALA 23 Cb 0.56 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1q0g h ALA 23 CO 0.03 0.58 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 1q0g h ILE 24 N 1.14 1.27 -0.77 0.00 2.04 -0.67 -1.93 117.51 118.59 1q0g h ILE 24 Ca 0.30 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1q0g h ILE 24 Cb -0.06 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1q0g h ILE 24 CO -0.06 0.39 0.44 1.56 0.00 0.00 0.00 178.15 180.48 1q0g h GLN 25 N 0.71 1.06 -0.73 2.37 4.20 -0.67 -0.75 115.11 121.30 1q0g h GLN 25 Ca 0.13 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1q0g h GLN 25 Cb 0.55 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1q0g h GLN 25 CO 0.03 0.77 0.24 0.93 -0.67 0.00 0.00 178.83 180.13 1q0g h GLU 26 N 1.07 1.13 0.00 1.46 5.08 -0.91 -2.21 114.58 120.21 1q0g h GLU 26 Ca 0.28 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1q0g h GLU 26 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1q0g h GLU 26 CO -0.05 0.96 -0.29 0.87 -1.00 0.00 0.00 179.01 179.51 1q0g h LYS 27 N 1.08 0.00 0.00 2.33 1.57 -0.60 -2.69 116.57 118.26 1q0g h LYS 27 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1q0g h LYS 27 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1q0g h LYS 27 CO -0.01 0.29 0.00 0.52 -0.57 0.00 0.00 179.45 179.68 1q0g h MET 28 N 0.00 0.00 0.00 3.15 2.86 -0.55 -2.92 114.93 117.47 1q0g h MET 28 Ca -0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1q0g h MET 28 Cb 0.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1q0g h MET 28 CO 0.04 0.00 -0.37 0.00 1.06 0.00 0.00 176.91 177.63 1q0g h ALA 29 N 2.05 0.86 0.00 6.32 0.00 -1.12 -3.31 119.26 124.05 1q0g h ALA 29 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1q0g h ALA 29 Cb 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1q0g h ALA 29 CO 0.00 0.47 -1.17 0.00 0.00 0.00 0.00 179.25 178.54 1q0g n ALA 30 N -2.23 2.77 -3.73 0.00 0.00 -1.11 -4.89 120.51 111.31 1q0g n ALA 30 Ca 0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 1q0g n ALA 30 Cb 0.59 -1.02 -0.18 0.00 0.00 0.00 0.00 19.45 18.85 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 -4.85 1.67 -0.00 0.00 2.47 -1.20 -5.01 114.94 108.01 1q0g s ASN 31 Ca -0.01 -0.16 0.14 0.00 0.42 0.00 0.00 52.86 53.25 1q0g s ASN 31 Cb 0.12 -0.37 0.40 0.00 -1.45 0.00 0.00 41.25 39.94 1q0g s ASN 31 CO 0.81 -0.23 1.33 0.47 -3.72 0.00 0.00 177.10 175.76 1q0g n ASP 32 N 5.18 2.41 -4.73 -4.21 8.00 -1.26 -4.70 116.55 117.24 1q0g n ASP 32 Ca -0.06 -2.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.01 1q0g n ASP 32 Cb 0.50 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1q0g n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1q0g n ASP 33 N 0.81 3.94 0.02 -2.24 2.03 -1.26 -4.88 116.55 114.97 1q0g n ASP 33 Ca 0.15 1.09 -0.10 0.00 0.52 0.00 0.00 54.79 56.45 1q0g n ASP 33 Cb 0.38 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.17 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 6.00 -0.62 -1.24 -2.67 5.85 -1.99 -0.82 115.31 119.82 1q0g h LEU 34 Ca -0.45 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 1q0g h LEU 34 Cb 1.21 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1q0g h LEU 34 CO 0.89 -0.26 -0.18 0.45 -0.34 0.00 0.00 178.44 179.00 1q0g h HIS 35 N -0.29 0.32 -0.30 1.25 3.86 -1.99 -0.68 115.15 117.32 1q0g h HIS 35 Ca 0.08 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1q0g h HIS 35 Cb 0.41 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1q0g h HIS 35 CO -0.29 0.47 -0.11 0.35 0.86 0.00 0.00 177.93 179.22 1q0g h PHE 36 N 0.28 0.69 -0.73 2.45 3.57 -1.88 -1.44 116.94 119.88 1q0g h PHE 36 Ca 0.05 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1q0g h PHE 36 Cb 0.48 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1q0g h PHE 36 CO 0.01 0.82 0.43 1.96 -2.23 0.00 0.00 178.31 179.29 1q0g h GLN 37 N 0.36 0.99 -0.02 1.11 1.08 -0.67 0.20 115.11 118.16 1q0g h GLN 37 Ca 0.07 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1q0g h GLN 37 Cb 0.62 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1q0g h GLN 37 CO 0.04 0.70 -0.00 0.82 -0.95 0.00 0.00 178.83 179.44 1q0g h ILE 38 N 1.00 1.25 -0.72 2.54 2.04 -0.98 -1.36 117.51 121.29 1q0g h ILE 38 Ca 0.26 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1q0g h ILE 38 Cb -0.02 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1q0g h ILE 38 CO -0.05 0.20 0.38 0.03 0.00 0.00 0.00 178.15 178.70 1q0g h ARG 39 N -0.28 1.02 -0.75 2.37 3.08 -0.89 -0.85 114.38 118.09 1q0g h ARG 39 Ca 0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1q0g h ARG 39 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1q0g h ARG 39 CO 0.00 0.77 0.33 0.00 -1.07 0.00 0.00 179.97 180.00 1q0g h ALA 40 N 1.19 0.96 -0.30 0.04 0.00 -0.58 -0.97 119.26 119.61 1q0g h ALA 40 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1q0g h ALA 40 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1q0g h ALA 40 CO -0.04 0.56 0.05 1.15 0.00 0.00 0.00 179.25 180.97 1q0g h THR 41 N 1.06 1.23 0.07 0.00 2.02 -0.87 -0.14 112.91 116.29 1q0g h THR 41 Ca 0.25 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1q0g h THR 41 Cb 0.17 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1q0g h THR 41 CO -0.03 0.26 -0.10 0.58 0.37 0.00 0.00 175.52 176.60 1q0g h VAL 42 N 0.31 0.76 -0.39 3.16 2.07 -0.92 -1.69 116.25 119.56 1q0g h VAL 42 Ca 0.09 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 1q0g h VAL 42 Cb 0.34 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1q0g h VAL 42 CO 0.01 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.74 1q0g h ILE 43 N -0.21 1.27 -0.69 4.57 2.04 -1.17 -2.60 117.51 120.73 1q0g h ILE 43 Ca 0.01 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1q0g h ILE 43 Cb 0.22 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1q0g h ILE 43 CO -0.05 0.46 0.32 0.50 0.00 0.00 0.00 178.15 179.38 1q0g h LYS 44 N 0.69 0.99 -0.48 2.37 3.64 -0.90 -1.05 116.57 121.82 1q0g h LYS 44 Ca 0.09 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1q0g h LYS 44 Cb 0.78 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1q0g h LYS 44 CO 0.06 0.77 0.30 1.49 -2.27 0.00 0.00 179.45 179.80 1q0g h GLU 45 N 0.98 0.66 -0.42 1.90 4.57 -1.05 -1.17 114.58 120.05 1q0g h GLU 45 Ca 0.24 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1q0g h GLU 45 Cb 0.12 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1q0g h GLU 45 CO -0.03 0.47 0.10 1.96 -1.18 0.00 0.00 179.01 180.34 1q0g h GLN 46 N 0.65 0.67 -0.15 1.92 4.20 -1.03 -2.19 115.11 119.19 1q0g h GLN 46 Ca 0.17 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1q0g h GLN 46 Cb -0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 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 0.54 0.40 -0.31 1.46 2.47 -1.05 -2.37 114.38 115.52 1q0g h ARG 47 Ca 0.13 -0.24 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 1q0g h ARG 47 Cb 0.32 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1q0g h ARG 47 CO 0.00 0.82 -0.25 0.00 0.56 0.00 0.00 179.97 181.09 1q0g h ALA 48 N 1.14 0.98 -0.53 0.04 0.00 -1.15 -1.23 119.26 118.51 1q0g h ALA 48 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1q0g h ALA 48 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1q0g h ALA 48 CO 0.09 0.60 0.17 1.49 0.00 0.00 0.00 179.25 181.59 1q0g h GLU 49 N 0.54 0.82 -0.66 0.00 4.57 -1.20 -0.66 114.58 117.99 1q0g h GLU 49 Ca 0.07 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1q0g h GLU 49 Cb 0.72 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1q0g h GLU 49 CO 0.06 0.76 0.22 -0.07 -1.18 0.00 0.00 179.01 178.79 1q0g h LEU 50 N 0.73 0.94 -0.74 1.64 3.38 -1.17 -1.08 115.31 119.00 1q0g h LEU 50 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1q0g h LEU 50 Cb 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1q0g h LEU 50 CO -0.01 0.88 0.44 0.00 0.09 0.00 0.00 178.44 179.85 1q0g h ALA 51 N 1.09 0.94 -0.66 1.53 0.00 -0.86 -0.70 119.26 120.60 1q0g h ALA 51 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1q0g h ALA 51 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1q0g h ALA 51 CO -0.01 0.41 0.24 0.87 0.00 0.00 0.00 179.25 180.76 1q0g h LYS 52 N 1.01 1.00 -0.21 0.00 1.57 -0.79 -2.16 116.57 116.99 1q0g h LYS 52 Ca 0.26 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1q0g h LYS 52 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1q0g h LYS 52 CO -0.05 0.86 0.11 1.25 -0.57 0.00 0.00 179.45 181.05 1q0g h HIS 53 N 0.94 0.21 -0.88 -1.35 2.76 -0.66 0.70 115.15 116.87 1q0g h HIS 53 Ca 0.22 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1q0g h HIS 53 Cb 0.25 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1q0g h HIS 53 CO 0.02 0.13 0.58 0.45 -1.30 0.00 0.00 177.93 177.80 1q0g h HIS 54 N 0.24 1.08 -0.33 5.26 3.86 -0.91 -0.79 115.15 123.56 1q0g h HIS 54 Ca 0.08 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 1q0g h HIS 54 Cb 0.00 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 1q0g h HIS 54 CO -0.08 0.64 -0.40 -0.07 0.86 0.00 0.00 177.93 178.88 1q0g h LEU 55 N 1.13 0.92 -1.10 2.43 3.38 -0.96 -2.44 115.31 118.67 1q0g h LEU 55 Ca 0.34 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1q0g h LEU 55 Cb -0.03 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 1q0g h LEU 55 CO -0.09 1.22 0.61 0.44 0.09 0.00 0.00 178.44 180.71 1q0g h ASP 56 N 0.63 0.99 -0.43 -0.43 3.32 -0.24 -1.09 116.42 119.17 1q0g h ASP 56 Ca 0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1q0g h ASP 56 Cb 0.99 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1q0g h ASP 56 CO 0.09 0.67 0.06 0.58 -1.72 0.00 0.00 179.24 178.92 1q0g h VAL 57 N 1.14 1.25 -0.68 -1.35 2.07 -1.01 0.23 116.25 117.89 1q0g h VAL 57 Ca 0.38 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1q0g h VAL 57 Cb 0.07 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1q0g h VAL 57 CO -0.12 0.32 0.45 -0.07 0.02 0.00 0.00 177.57 178.16 1q0g h LEU 58 N 0.58 0.78 -0.25 2.57 3.38 -0.92 0.17 115.31 121.63 1q0g h LEU 58 Ca 0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1q0g h LEU 58 Cb 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1q0g h LEU 58 CO 0.01 0.57 -0.01 -0.25 0.09 0.00 0.00 178.44 178.85 1q0g h TRP 59 N 0.92 0.49 0.10 1.13 7.01 -0.93 -0.27 115.95 124.41 1q0g h TRP 59 Ca 0.25 -0.09 -0.28 0.00 2.11 0.00 0.00 58.89 60.88 1q0g h TRP 59 Cb -0.10 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 1q0g h TRP 59 CO -0.03 0.62 -1.39 0.66 -2.79 0.00 0.00 178.44 175.52 1q0g h SER 60 N 0.22 0.34 0.00 2.65 4.64 -0.44 -3.39 113.55 117.57 1q0g h SER 60 Ca 0.07 -0.43 -0.39 0.00 -0.47 0.00 0.00 61.79 60.58 1q0g h SER 60 Cb 0.43 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 1q0g h SER 60 CO 0.01 1.35 -2.28 0.47 -0.87 0.00 0.00 176.83 175.51 1q0g n ASP 61 N -3.45 1.61 0.05 4.97 9.92 0.60 -4.82 116.55 125.43 1q0g n ASP 61 Ca -0.12 0.28 -0.10 0.00 -0.53 0.00 0.00 54.79 54.32 1q0g n ASP 61 Cb 1.03 -0.68 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.82 -0.19 -3.11 1.24 3.20 -1.31 -3.45 116.97 112.53 1q0g h TYR 62 Ca -0.58 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.76 1q0g h TYR 62 Cb 1.51 0.06 0.03 0.00 1.54 0.00 0.00 36.73 39.87 1q0g h TYR 62 CO -0.08 0.22 0.73 -0.06 -1.64 0.00 0.00 178.16 177.33 1q0g s PHE 63 N -3.10 3.20 0.39 -3.82 0.08 -0.16 -5.02 117.98 109.54 1q0g s PHE 63 Ca -0.11 0.98 0.08 0.00 0.12 0.00 0.00 56.93 57.99 1q0g s PHE 63 Cb 0.00 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.69 1q0g s PHE 63 CO 0.42 -2.44 0.19 0.15 -0.10 0.00 0.00 175.22 173.44 1q0g s LYS 64 N 0.67 2.31 0.29 0.44 -0.14 -1.26 -4.79 119.74 117.25 1q0g s LYS 64 Ca 0.63 -1.70 0.02 0.00 -1.36 0.00 0.00 55.97 53.56 1q0g s LYS 64 Cb -0.38 -2.10 0.71 0.00 -1.68 0.00 0.00 37.83 34.38 1q0g s LYS 64 CO 0.34 -0.05 1.66 -1.35 -0.76 0.00 0.00 175.35 175.18 1q0g h PRO 65 N 1.41 0.24 -0.50 -1.68 0.11 -1.99 0.11 132.00 129.70 1q0g h PRO 65 Ca -0.43 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1q0g h PRO 65 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1q0g h PRO 65 CO 0.66 0.16 0.33 -1.35 -0.21 0.00 0.00 178.00 177.59 1q0g h PRO 66 N 0.24 0.50 -0.38 1.05 0.11 -1.99 -1.96 132.00 129.56 1q0g h PRO 66 Ca 0.55 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.49 1q0g h PRO 66 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1q0g h PRO 66 CO -0.63 0.33 -0.30 0.45 -0.21 0.00 0.00 178.00 177.64 1q0g h HIS 67 N 0.51 1.04 0.00 0.65 3.86 -1.18 -1.42 115.15 118.62 1q0g h HIS 67 Ca 0.21 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 1q0g h HIS 67 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1q0g h HIS 67 CO -0.00 1.09 -0.29 0.74 0.86 0.00 0.00 177.93 180.34 1q0g h PHE 68 N 0.69 0.00 -0.05 2.45 0.04 -1.16 -0.07 116.94 118.85 1q0g h PHE 68 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 1q0g h PHE 68 Cb 0.88 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.04 1q0g h PHE 68 CO 0.06 0.29 -0.42 0.93 -0.60 0.00 0.00 178.31 178.57 1q0g h GLU 69 N 0.00 0.37 -0.09 1.51 4.39 -1.18 -2.99 114.58 116.60 1q0g h GLU 69 Ca -0.00 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.27 1q0g h GLU 69 Cb 0.71 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1q0g h GLU 69 CO 0.04 0.99 -0.36 0.77 -1.16 0.00 0.00 179.01 179.29 1q0g h SER 70 N -0.13 0.18 -3.03 1.42 0.02 -1.02 -3.34 113.55 107.64 1q0g h SER 70 Ca -0.04 -0.06 -0.61 0.00 -0.84 0.00 0.00 61.79 60.23 1q0g h SER 70 Cb 1.10 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 63.18 1q0g h SER 70 CO 0.09 0.53 -0.69 -0.31 -1.14 0.00 0.00 176.83 175.31 1q0g s TYR 71 N -4.24 2.83 0.65 3.45 1.51 -0.06 -4.97 117.35 116.52 1q0g s TYR 71 Ca -0.04 -3.02 0.32 0.00 -1.01 0.00 0.00 57.07 53.32 1q0g s TYR 71 Cb 0.14 -2.22 1.74 0.00 -0.11 0.00 0.00 41.96 41.52 1q0g s TYR 71 CO 0.75 -0.64 2.01 -1.35 -1.11 0.00 0.00 175.55 175.21 1q0g h PRO 72 N 5.62 0.00 -0.02 -1.71 0.11 -1.66 -0.65 132.00 133.69 1q0g h PRO 72 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1q0g h PRO 72 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1q0g h PRO 72 CO 0.61 0.00 -0.17 -0.85 -0.21 0.00 0.00 178.00 177.39 1q0g n GLU 73 N -3.11 1.62 -0.12 1.05 0.00 -1.26 -4.49 120.64 114.33 1q0g n GLU 73 Ca -0.01 -1.21 -0.07 0.00 0.00 0.00 0.00 57.16 55.88 1q0g n GLU 73 Cb 0.36 -1.47 0.01 0.00 0.00 0.00 0.00 31.44 30.33 1q0g n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1q0g h LEU 74 N 2.95 0.33 -0.20 -1.84 5.85 -1.44 0.20 115.31 121.16 1q0g h LEU 74 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1q0g h LEU 74 Cb 0.73 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1q0g h LEU 74 CO 0.00 0.24 -0.08 0.45 -0.34 0.00 0.00 178.44 178.71 1q0g h HIS 75 N 0.43 -0.19 -0.74 1.25 3.86 -1.79 -1.05 115.15 116.91 1q0g h HIS 75 Ca 0.16 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1q0g h HIS 75 Cb 0.03 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1q0g h HIS 75 CO -0.08 -0.13 0.42 1.15 0.86 0.00 0.00 177.93 180.15 1q0g h THR 76 N -0.05 1.22 -0.22 2.45 2.02 -1.79 -1.44 112.91 115.10 1q0g h THR 76 Ca 0.10 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1q0g h THR 76 Cb 0.21 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1q0g h THR 76 CO -0.23 0.24 0.14 0.25 0.37 0.00 0.00 175.52 176.29 1q0g h LEU 77 N 1.02 0.26 -0.57 2.58 5.85 -0.43 0.11 115.31 124.14 1q0g h LEU 77 Ca 0.26 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1q0g h LEU 77 Cb 0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1q0g h LEU 77 CO -0.05 0.20 -0.08 0.58 -0.34 0.00 0.00 178.44 178.75 1q0g h VAL 78 N 0.29 1.27 -0.76 1.05 2.07 -1.08 -0.88 116.25 118.21 1q0g h VAL 78 Ca 0.08 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1q0g h VAL 78 Cb -0.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1q0g h VAL 78 CO -0.02 0.45 0.33 -1.13 0.02 0.00 0.00 177.57 177.22 1q0g h ASN 79 N 0.94 1.02 -0.19 0.57 -0.73 -0.95 -1.46 115.58 114.79 1q0g h ASN 79 Ca 0.15 -0.14 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1q0g h ASN 79 Cb 0.66 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1q0g h ASN 79 CO 0.05 0.88 -0.18 -0.33 -0.37 0.00 0.00 177.43 177.47 1q0g h GLU 80 N 1.10 0.62 -0.10 6.67 5.08 -0.49 -1.53 114.58 125.92 1q0g h GLU 80 Ca 0.26 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1q0g h GLU 80 Cb 0.16 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1q0g h GLU 80 CO -0.03 0.77 0.03 0.00 -1.00 0.00 0.00 179.01 178.78 1q0g h ALA 81 N 1.25 0.14 -0.16 3.43 0.00 -0.39 0.13 119.26 123.65 1q0g h ALA 81 Ca 0.09 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1q0g h ALA 81 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1q0g h ALA 81 CO 0.04 -0.24 -0.35 -0.39 0.00 0.00 0.00 179.25 178.31 1q0g h VAL 82 N -0.03 1.29 -0.14 0.00 -1.51 -1.23 -1.29 116.25 113.34 1q0g h VAL 82 Ca 0.03 -1.41 -0.11 0.00 -1.23 0.00 0.00 66.70 63.98 1q0g h VAL 82 Cb 0.23 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1q0g h VAL 82 CO -0.00 0.43 -0.38 0.11 -1.23 0.00 0.00 177.57 176.50 1q0g h LYS 83 N 0.29 0.31 -0.28 5.19 1.57 -1.09 -1.19 116.57 121.37 1q0g h LYS 83 Ca 0.03 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1q0g h LYS 83 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1q0g h LYS 83 CO 0.06 0.65 -0.24 0.00 -0.57 0.00 0.00 179.45 179.35 1q0g h ALA 84 N 1.34 1.05 -0.18 3.86 0.00 -0.14 -1.17 119.26 124.02 1q0g h ALA 84 Ca 0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1q0g h ALA 84 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1q0g h ALA 84 CO 0.06 0.57 -0.51 -0.07 0.00 0.00 0.00 179.25 179.31 1q0g h LEU 85 N 0.48 0.53 -0.81 0.00 3.38 -0.75 -1.02 115.31 117.12 1q0g h LEU 85 Ca 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1q0g h LEU 85 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1q0g h LEU 85 CO 0.05 0.95 0.20 0.28 0.09 0.00 0.00 178.44 180.00 1q0g h SER 86 N 0.38 1.02 -0.15 -0.43 0.02 -0.78 -1.51 113.55 112.10 1q0g h SER 86 Ca 0.02 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1q0g h SER 86 Cb 1.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1q0g h SER 86 CO 0.09 0.96 -0.12 0.00 -1.14 0.00 0.00 176.83 176.62 1q0g h ALA 87 N 1.17 1.24 -0.11 3.77 0.00 -0.91 -2.42 119.26 122.00 1q0g h ALA 87 Ca 0.22 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1q0g h ALA 87 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1q0g h ALA 87 CO -0.00 0.50 -0.43 0.00 0.00 0.00 0.00 179.25 179.31 1q0g h ALA 88 N 1.41 1.07 -0.81 0.00 0.00 -0.57 -2.65 119.26 117.72 1q0g h ALA 88 Ca 0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1q0g h ALA 88 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1q0g h ALA 88 CO 0.03 0.61 0.44 0.87 0.00 0.00 0.00 179.25 181.20 1q0g h LYS 89 N 0.20 1.12 -0.46 0.00 1.57 -0.80 -2.48 116.57 115.72 1q0g h LYS 89 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1q0g h LYS 89 Cb 0.85 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1q0g h LYS 89 CO 0.07 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.77 1q0g n ALA 90 N -2.42 2.64 -2.44 3.86 0.00 -1.02 -4.88 120.51 116.25 1q0g n ALA 90 Ca 0.08 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 1q0g n ALA 90 Cb 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.80 0.47 0.00 0.00 0.15 -0.94 -5.01 113.70 107.58 1q0g s SER 91 Ca 0.21 -0.81 0.12 0.00 0.70 0.00 0.00 55.95 56.18 1q0g s SER 91 Cb 0.13 0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 1q0g s SER 91 CO 0.12 -0.47 0.83 0.35 1.20 0.00 0.00 173.24 175.27 1q0g n THR 92 N 0.68 0.00 -2.65 6.45 -2.24 -1.26 -4.89 114.28 110.37 1q0g n THR 92 Ca -0.18 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 1q0g n THR 92 Cb 0.59 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 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 -1.18 6.99 0.67 3.42 -1.08 -1.26 -4.67 116.67 119.56 1q0g s ASP 93 Ca 0.13 1.17 0.36 0.00 -0.52 0.00 0.00 52.55 53.70 1q0g s ASP 93 Cb 0.10 -2.54 1.98 0.00 -1.46 0.00 0.00 42.92 41.01 1q0g s ASP 93 CO 0.20 -0.79 2.12 -0.65 0.52 0.00 0.00 175.17 176.57 1q0g h PRO 94 N 7.84 0.00 -0.06 4.34 0.11 -1.90 -0.60 132.00 141.73 1q0g h PRO 94 Ca -0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 1q0g h PRO 94 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1q0g h PRO 94 CO 1.01 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.66 1q0g h ALA 95 N 1.63 1.65 -0.15 -0.75 0.00 -1.97 0.51 119.26 120.18 1q0g h ALA 95 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1q0g h ALA 95 Cb 0.38 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1q0g h ALA 95 CO -0.00 0.26 -0.75 1.79 0.00 0.00 0.00 179.25 180.55 1q0g h THR 96 N 0.09 1.30 -0.31 0.00 1.35 -1.50 -1.27 112.91 112.56 1q0g h THR 96 Ca 0.02 -1.99 -0.10 0.00 -0.55 0.00 0.00 66.41 63.79 1q0g h THR 96 Cb 0.31 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1q0g h THR 96 CO 0.02 0.62 -0.21 1.23 -0.25 0.00 0.00 175.52 176.94 1q0g h GLY 97 N 0.75 0.64 1.23 5.82 0.00 -1.50 -2.62 103.07 107.39 1q0g h GLY 97 Ca -0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 1q0g h GLY 97 CO 0.15 0.47 -0.08 -1.61 0.00 0.00 0.00 176.54 175.47 1q0g h GLN 98 N 0.53 0.92 -0.84 4.80 5.75 -0.76 -1.95 115.11 123.56 1q0g h GLN 98 Ca 0.08 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 1q0g h GLN 98 Cb 0.65 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 1q0g h GLN 98 CO 0.05 0.96 0.39 -0.22 -2.65 0.00 0.00 178.83 177.35 1q0g h LYS 99 N 0.83 1.21 -0.44 1.69 3.64 -0.96 -0.25 116.57 122.29 1q0g h LYS 99 Ca 0.14 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1q0g h LYS 99 Cb 0.60 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1q0g h LYS 99 CO 0.04 0.94 0.09 0.00 -2.27 0.00 0.00 179.45 178.25 1q0g h ALA 100 N 1.21 0.58 -0.34 5.00 0.00 -1.23 -2.48 119.26 122.00 1q0g h ALA 100 Ca 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1q0g h ALA 100 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1q0g h ALA 100 CO -0.03 0.27 0.01 -0.07 0.00 0.00 0.00 179.25 179.43 1q0g h LEU 101 N 0.57 0.49 -0.46 0.00 3.38 -0.88 -1.32 115.31 117.10 1q0g h LEU 101 Ca 0.13 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1q0g h LEU 101 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1q0g h LEU 101 CO 0.00 0.55 -0.02 0.44 0.09 0.00 0.00 178.44 179.51 1q0g h ASP 102 N 0.50 0.80 -0.65 -0.43 3.32 -0.79 -0.98 116.42 118.19 1q0g h ASP 102 Ca 0.11 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1q0g h ASP 102 Cb 0.32 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1q0g h ASP 102 CO 0.01 0.92 0.11 1.88 -1.72 0.00 0.00 179.24 180.44 1q0g h TYR 103 N 0.66 1.15 -0.66 4.55 0.05 -1.12 -2.40 116.97 119.21 1q0g h TYR 103 Ca 0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1q0g h TYR 103 Cb 0.52 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1q0g h TYR 103 CO 0.04 0.97 0.30 0.82 -1.05 0.00 0.00 178.16 179.24 1q0g h ILE 104 N 1.00 1.22 -0.33 -2.88 2.04 -1.03 -1.04 117.51 116.49 1q0g h ILE 104 Ca 0.20 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1q0g h ILE 104 Cb 0.44 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1q0g h ILE 104 CO 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 178.15 178.41 1q0g h ALA 105 N 1.39 1.37 -0.37 1.87 0.00 -0.80 0.21 119.26 122.94 1q0g h ALA 105 Ca 0.23 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1q0g h ALA 105 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1q0g h ALA 105 CO -0.03 0.44 -0.37 1.96 0.00 0.00 0.00 179.25 181.25 1q0g h GLN 106 N 0.49 0.87 -0.48 0.00 4.20 -0.81 -1.89 115.11 117.48 1q0g h GLN 106 Ca 0.10 -0.44 -0.13 0.00 0.06 0.00 0.00 58.65 58.24 1q0g h GLN 106 Cb 0.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1q0g h GLN 106 CO 0.01 1.09 -0.20 0.82 -0.67 0.00 0.00 178.83 179.88 1q0g h ILE 107 N 0.72 1.27 -0.78 2.54 2.04 -0.61 -2.67 117.51 120.02 1q0g h ILE 107 Ca 0.06 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1q0g h ILE 107 Cb 0.94 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1q0g h ILE 107 CO 0.09 0.47 0.47 -0.78 0.00 0.00 0.00 178.15 178.40 1q0g h ASP 108 N 0.85 0.93 -0.42 1.72 1.82 -0.46 0.78 116.42 121.65 1q0g h ASP 108 Ca 0.11 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1q0g h ASP 108 Cb 0.78 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1q0g h ASP 108 CO 0.06 0.72 0.25 0.50 -1.61 0.00 0.00 179.24 179.16 1q0g h LYS 109 N 1.06 0.57 -0.50 0.28 3.64 -1.18 -1.94 116.57 118.50 1q0g h LYS 109 Ca 0.28 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1q0g h LYS 109 Cb -0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1q0g h LYS 109 CO -0.05 0.43 0.08 0.82 -2.27 0.00 0.00 179.45 178.46 1q0g h ILE 110 N 0.55 1.25 -0.03 2.00 2.04 -1.12 -2.37 117.51 119.83 1q0g h ILE 110 Ca 0.15 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1q0g h ILE 110 Cb 0.01 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1q0g h ILE 110 CO -0.03 0.33 -0.31 0.15 0.00 0.00 0.00 178.15 178.29 1q0g h PHE 111 N 0.71 -0.86 0.00 1.37 3.57 -0.54 -1.14 116.94 120.06 1q0g h PHE 111 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1q0g h PHE 111 Cb 0.40 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1q0g h PHE 111 CO 0.03 -0.40 -0.20 -1.49 -2.23 0.00 0.00 178.31 174.02 1q0g h TRP 112 N -0.45 0.00 -0.26 0.41 4.06 -1.32 -1.73 115.95 116.67 1q0g h TRP 112 Ca 0.07 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 1q0g h TRP 112 Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 1q0g h TRP 112 CO -0.35 0.20 -0.35 0.93 -3.56 0.00 0.00 178.44 175.30 1q0g h GLU 113 N 0.00 0.58 0.00 0.49 5.08 -0.79 -2.55 114.58 117.39 1q0g h GLU 113 Ca -0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1q0g h GLU 113 Cb 0.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1q0g h GLU 113 CO 0.03 0.85 0.00 1.79 -1.00 0.00 0.00 179.01 180.68 1q0g h THR 114 N 0.49 0.00 0.00 1.13 1.35 -0.35 -2.22 112.91 113.31 1q0g h THR 114 Ca 0.05 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1q0g h THR 114 Cb 0.84 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1q0g h THR 114 CO 0.07 0.00 -0.23 0.29 -0.25 0.00 0.00 175.52 175.40 1q0g n LYS 115 N -2.48 0.21 -0.02 4.72 4.76 -0.95 -3.94 118.16 120.46 1q0g n LYS 115 Ca 0.03 0.12 -0.19 0.00 -2.87 0.00 0.00 58.31 55.41 1q0g n LYS 115 Cb 0.34 -1.70 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 1q0g n LYS 115 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1q0g h LYS 116 N 0.00 0.15 0.00 1.97 1.57 -1.24 -3.51 116.57 115.51 1q0g h LYS 116 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1q0g h LYS 116 Cb 0.68 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1q0g h LYS 116 CO 0.00 1.13 0.00 0.00 -0.57 0.00 0.00 179.45 180.01