#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0k n ASP 3 N -0.47 -3.93 -0.07 0.00 2.03 -1.26 -4.94 116.55 107.91 1q0k n ASP 3 Ca 0.12 0.11 -0.09 0.00 0.52 0.00 0.00 54.79 55.44 1q0k n ASP 3 Cb 0.38 -1.80 -0.02 0.00 -0.72 0.00 0.00 41.12 38.95 1q0k n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0k h LEU 4 N 0.00 0.31-10.41 -2.67 5.85 -2.03 -3.46 115.31 102.89 1q0k h LEU 4 Ca -0.09 -0.02 -0.49 0.00 0.84 0.00 0.00 57.88 58.12 1q0k h LEU 4 Cb 0.42 -0.08 0.06 0.00 0.37 0.00 0.00 40.66 41.43 1q0k h LEU 4 CO 0.13 0.24 0.26 -2.16 -0.34 0.00 0.00 178.44 176.56 1q0k s PRO 5 N -6.12 3.08 -0.02 5.25 0.04 -1.26 -5.13 135.00 130.84 1q0k s PRO 5 Ca -0.13 0.24 0.16 0.00 0.04 0.00 0.00 61.00 61.31 1q0k s PRO 5 Cb 0.09 -2.20 -0.23 0.00 0.04 0.00 0.00 34.50 32.20 1q0k s PRO 5 CO 0.70 -0.70 0.42 0.00 0.04 0.00 0.00 177.00 177.46 1q0k n GLY 7 N 1.54 0.73 3.38 0.00 0.00 -1.26 -4.97 105.19 104.61 1q0k n GLY 7 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1q0k n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0k s VAL 8 N -2.75 4.15 0.03 1.61 1.01 -1.26 -4.94 120.40 118.26 1q0k s VAL 8 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1q0k s VAL 8 Cb 0.00 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1q0k s VAL 8 CO 0.00 0.10 0.01 -0.31 0.00 0.00 0.00 175.10 174.90 1q0k s TYR 9 N 1.54 0.29 -0.30 5.22 1.51 -1.26 -1.07 117.35 123.28 1q0k s TYR 9 Ca 0.03 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.37 1q0k s TYR 9 Cb -0.17 -0.22 0.17 0.00 -0.11 0.00 0.00 41.96 41.63 1q0k s TYR 9 CO 0.03 -0.27 0.85 0.34 -1.11 0.00 0.00 175.55 175.39 1q0k s ASP 10 N -1.92 -0.83 0.32 2.29 -1.08 -1.26 -5.00 116.67 109.18 1q0k s ASP 10 Ca -0.08 0.87 0.17 0.00 -0.52 0.00 0.00 52.55 52.98 1q0k s ASP 10 Cb -0.04 1.84 0.91 0.00 -1.46 0.00 0.00 42.92 44.17 1q0k s ASP 10 CO -0.04 -0.16 1.46 -2.65 0.52 0.00 0.00 175.17 174.30 1q0k n PRO 11 N 5.26 0.11 0.14 4.34 -0.02 -1.26 -1.57 135.00 142.01 1q0k n PRO 11 Ca -0.08 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1q0k n PRO 11 Cb 0.52 -2.02 0.62 0.00 -0.02 0.00 0.00 33.50 32.60 1q0k n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q0k h ALA 12 N 1.57 2.11 -0.61 3.55 0.00 -1.98 -0.92 119.26 122.98 1q0k h ALA 12 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 12 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1q0k h ALA 12 CO 0.00 -0.17 0.38 1.96 0.00 0.00 0.00 179.25 181.43 1q0k h GLN 13 N 0.08 0.82 -0.20 0.00 4.20 -1.72 -0.68 115.11 117.60 1q0k h GLN 13 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1q0k h GLN 13 Cb 0.32 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1q0k h GLN 13 CO -0.01 0.57 -0.12 0.00 -0.67 0.00 0.00 178.83 178.60 1q0k h ALA 14 N 1.20 0.29 -0.02 3.87 0.00 -1.41 -3.16 119.26 120.02 1q0k h ALA 14 Ca 0.22 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1q0k h ALA 14 Cb -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1q0k h ALA 14 CO -0.04 0.14 -0.29 -0.09 0.00 0.00 0.00 179.25 178.97 1q0k h ARG 15 N 0.13 -0.40 -0.94 0.00 2.43 -0.95 -0.99 114.38 113.66 1q0k h ARG 15 Ca 0.04 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.40 1q0k h ARG 15 Cb 0.62 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.18 1q0k h ARG 15 CO 0.03 -0.27 0.60 0.82 -1.51 0.00 0.00 179.97 179.64 1q0k h ILE 16 N -0.42 0.78 -0.15 1.20 2.04 -1.19 0.26 117.51 120.03 1q0k h ILE 16 Ca 0.07 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.47 1q0k h ILE 16 Cb 0.52 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1q0k h ILE 16 CO -0.26 0.13 -0.76 -0.33 0.00 0.00 0.00 178.15 176.93 1q0k h GLU 17 N 0.70 0.72 -0.16 2.37 4.39 -1.37 -2.83 114.58 118.40 1q0k h GLU 17 Ca 0.50 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1q0k h GLU 17 Cb 0.82 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1q0k h GLU 17 CO -0.26 1.19 -0.17 0.00 -1.16 0.00 0.00 179.01 178.62 1q0k h ALA 18 N 0.64 1.43 -0.43 3.43 0.00 0.28 -1.82 119.26 122.79 1q0k h ALA 18 Ca -0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1q0k h ALA 18 Cb 1.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1q0k h ALA 18 CO 0.15 0.40 -0.10 0.93 0.00 0.00 0.00 179.25 180.63 1q0k h GLU 19 N 0.25 0.76 -0.22 0.00 5.08 -0.47 -1.86 114.58 118.11 1q0k h GLU 19 Ca 0.05 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1q0k h GLU 19 Cb 0.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1q0k h GLU 19 CO 0.03 0.83 -0.35 0.77 -1.00 0.00 0.00 179.01 179.29 1q0k h SER 20 N 0.69 0.50 -0.23 1.42 0.02 -1.15 -1.41 113.55 113.38 1q0k h SER 20 Ca 0.12 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1q0k h SER 20 Cb 0.57 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1q0k h SER 20 CO 0.04 0.82 0.12 0.58 -1.14 0.00 0.00 176.83 177.24 1q0k h VAL 21 N 0.41 1.13 -0.45 2.27 2.07 -0.82 0.13 116.25 120.99 1q0k h VAL 21 Ca 0.04 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1q0k h VAL 21 Cb 0.81 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1q0k h VAL 21 CO 0.07 0.13 -0.27 0.50 0.02 0.00 0.00 177.57 178.01 1q0k h LYS 22 N 0.26 0.97 -0.67 1.57 3.64 -1.24 -2.10 116.57 118.99 1q0k h LYS 22 Ca 0.08 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1q0k h LYS 22 Cb 0.09 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1q0k h LYS 22 CO -0.01 1.11 0.43 0.00 -2.27 0.00 0.00 179.45 178.71 1q0k h ALA 23 N 0.86 0.86 -0.62 5.00 0.00 -1.11 -1.73 119.26 122.52 1q0k h ALA 23 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 23 Cb 0.86 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1q0k h ALA 23 CO 0.08 0.30 0.29 0.82 0.00 0.00 0.00 179.25 180.75 1q0k h ILE 24 N 0.91 1.22 -0.75 0.00 2.04 -0.82 -1.94 117.51 118.18 1q0k h ILE 24 Ca 0.24 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1q0k h ILE 24 Cb -0.07 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 1q0k h ILE 24 CO -0.05 0.25 0.47 1.56 0.00 0.00 0.00 178.15 180.38 1q0k h GLN 25 N 0.85 0.99 -0.45 2.37 4.20 -0.89 -0.39 115.11 121.78 1q0k h GLN 25 Ca 0.21 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 1q0k h GLN 25 Cb 0.12 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1q0k h GLN 25 CO -0.03 0.67 -0.23 0.93 -0.67 0.00 0.00 178.83 179.51 1q0k h GLU 26 N 1.02 0.93 -0.47 1.46 5.08 -0.90 -2.85 114.58 118.84 1q0k h GLU 26 Ca 0.27 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1q0k h GLU 26 Cb -0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1q0k h GLU 26 CO -0.06 1.05 -0.10 0.87 -1.00 0.00 0.00 179.01 179.78 1q0k h LYS 27 N 0.80 0.86 0.00 2.33 1.57 -0.72 -2.64 116.57 118.77 1q0k h LYS 27 Ca 0.10 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1q0k h LYS 27 Cb 0.79 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1q0k h LYS 27 CO 0.07 0.93 -0.07 0.52 -0.57 0.00 0.00 179.45 180.33 1q0k h MET 28 N 0.78 0.00 0.00 3.15 2.86 -0.88 -1.70 114.93 119.13 1q0k h MET 28 Ca 0.13 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 1q0k h MET 28 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1q0k h MET 28 CO 0.04 0.07 -0.61 0.00 1.06 0.00 0.00 176.91 177.47 1q0k h ALA 29 N 1.93 0.85 0.00 6.32 0.00 -1.25 -3.26 119.26 123.85 1q0k h ALA 29 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1q0k h ALA 29 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1q0k h ALA 29 CO 0.01 0.76 -0.85 0.00 0.00 0.00 0.00 179.25 179.17 1q0k n ALA 30 N -2.36 3.16 -3.78 0.00 0.00 -0.69 -4.80 120.51 112.05 1q0k n ALA 30 Ca -0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 1q0k n ALA 30 Cb 0.65 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.87 1q0k n ALA 30 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q0k s ASN 31 N -4.09 3.10 -0.04 0.00 3.84 -0.93 -5.01 114.94 111.82 1q0k s ASN 31 Ca 0.05 -0.89 0.13 0.00 0.21 0.00 0.00 52.86 52.36 1q0k s ASN 31 Cb 0.14 -0.72 0.44 0.00 -0.55 0.00 0.00 41.25 40.56 1q0k s ASN 31 CO 0.76 -0.29 1.34 -0.90 -2.79 0.00 0.00 177.10 175.22 1q0k n ASP 32 N 4.97 2.90 -4.72 -4.21 5.75 -1.26 -4.70 116.55 115.28 1q0k n ASP 32 Ca -0.10 -2.15 -0.42 0.00 -0.01 0.00 0.00 54.79 52.12 1q0k n ASP 32 Cb 0.46 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1q0k s ASP 33 N -0.87 6.56 0.18 -1.12 2.15 -1.26 -4.88 116.67 117.43 1q0k s ASP 33 Ca 0.32 2.65 -0.18 0.00 0.43 0.00 0.00 52.55 55.77 1q0k s ASP 33 Cb 0.19 -2.60 0.14 0.00 -0.30 0.00 0.00 42.92 40.35 1q0k s ASP 33 CO 0.19 -0.84 1.62 0.25 -0.17 0.00 0.00 175.17 176.22 1q0k h LEU 34 N 6.75 -0.76 -1.02 -1.34 5.85 -1.99 -0.22 115.31 122.58 1q0k h LEU 34 Ca -0.43 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1q0k h LEU 34 Cb 1.20 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1q0k h LEU 34 CO 0.92 -0.24 -0.12 0.45 -0.34 0.00 0.00 178.44 179.10 1q0k h HIS 35 N -0.11 0.61 -0.41 1.25 3.86 -1.99 -0.17 115.15 118.20 1q0k h HIS 35 Ca 0.23 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1q0k h HIS 35 Cb 0.47 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1q0k h HIS 35 CO -0.50 0.67 -0.32 0.35 0.86 0.00 0.00 177.93 178.99 1q0k h PHE 36 N 0.52 1.08 -0.76 2.45 3.57 -1.79 -1.55 116.94 120.47 1q0k h PHE 36 Ca 0.09 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1q0k h PHE 36 Cb 0.52 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1q0k h PHE 36 CO 0.02 1.11 0.37 1.96 -2.23 0.00 0.00 178.31 179.55 1q0k h GLN 37 N 0.77 1.09 -0.05 1.11 1.08 -0.53 0.11 115.11 118.70 1q0k h GLN 37 Ca 0.08 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1q0k h GLN 37 Cb 0.90 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1q0k h GLN 37 CO 0.08 0.84 0.02 0.82 -0.95 0.00 0.00 178.83 179.64 1q0k h ILE 38 N 1.07 1.16 -0.43 2.54 2.04 -0.84 -1.30 117.51 121.74 1q0k h ILE 38 Ca 0.26 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1q0k h ILE 38 Cb 0.11 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1q0k h ILE 38 CO -0.03 0.13 0.21 0.03 0.00 0.00 0.00 178.15 178.48 1q0k h ARG 39 N -0.11 0.61 -0.93 2.37 3.08 -1.04 -1.79 114.38 116.57 1q0k h ARG 39 Ca 0.02 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1q0k h ARG 39 Cb 0.19 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1q0k h ARG 39 CO -0.00 0.53 0.62 0.00 -1.07 0.00 0.00 179.97 180.04 1q0k h ALA 40 N 1.05 1.35 0.03 0.04 0.00 -0.73 -0.60 119.26 120.40 1q0k h ALA 40 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1q0k h ALA 40 Cb 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1q0k h ALA 40 CO -0.02 0.60 -0.01 1.15 0.00 0.00 0.00 179.25 180.97 1q0k h THR 41 N 1.25 1.17 -0.74 0.00 2.02 -0.96 -0.75 112.91 114.90 1q0k h THR 41 Ca 0.35 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1q0k h THR 41 Cb -0.12 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 1q0k h THR 41 CO -0.08 0.16 0.46 0.58 0.37 0.00 0.00 175.52 177.01 1q0k h VAL 42 N -0.31 1.07 -0.15 3.16 2.07 -1.01 -1.53 116.25 119.54 1q0k h VAL 42 Ca -0.00 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 1q0k h VAL 42 Cb 0.29 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1q0k h VAL 42 CO 0.01 0.16 -0.52 0.40 0.02 0.00 0.00 177.57 177.64 1q0k h ILE 43 N 0.87 1.33 -0.36 4.57 2.04 -1.10 -2.86 117.51 122.01 1q0k h ILE 43 Ca 0.31 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 1q0k h ILE 43 Cb 0.07 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1q0k h ILE 43 CO -0.13 0.55 0.22 0.50 0.00 0.00 0.00 178.15 179.28 1q0k h LYS 44 N 0.28 0.48 -0.35 2.37 3.64 -0.95 -1.30 116.57 120.74 1q0k h LYS 44 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1q0k h LYS 44 Cb 1.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1q0k h LYS 44 CO 0.11 0.34 0.12 1.49 -2.27 0.00 0.00 179.45 179.24 1q0k h GLU 45 N 0.49 0.54 -0.47 1.90 4.57 -1.18 -1.40 114.58 119.04 1q0k h GLU 45 Ca 0.13 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 1q0k h GLU 45 Cb -0.02 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1q0k h GLU 45 CO -0.03 0.56 -0.15 1.96 -1.18 0.00 0.00 179.01 180.17 1q0k h GLN 46 N 0.42 0.89 -0.21 1.92 4.20 -1.13 -2.06 115.11 119.15 1q0k h GLN 46 Ca 0.12 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.30 1q0k h GLN 46 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1q0k h GLN 46 CO -0.01 0.98 -0.62 0.00 -0.67 0.00 0.00 178.83 178.52 1q0k h ARG 47 N 0.79 0.73 -0.61 1.46 2.47 -1.16 -1.84 114.38 116.21 1q0k h ARG 47 Ca 0.12 -0.50 -0.08 0.00 -1.26 0.00 0.00 59.98 58.26 1q0k h ARG 47 Cb 0.68 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 1q0k h ARG 47 CO 0.05 1.13 0.09 0.00 0.56 0.00 0.00 179.97 181.80 1q0k h ALA 48 N 0.76 0.82 -0.82 0.04 0.00 -1.22 -1.15 119.26 117.67 1q0k h ALA 48 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1q0k h ALA 48 Cb 1.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1q0k h ALA 48 CO 0.13 0.58 0.37 1.49 0.00 0.00 0.00 179.25 181.82 1q0k h GLU 49 N 0.93 1.20 -0.41 0.00 4.57 -1.29 -1.53 114.58 118.05 1q0k h GLU 49 Ca 0.19 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1q0k h GLU 49 Cb 0.44 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1q0k h GLU 49 CO 0.01 0.94 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.51 1q0k h LEU 50 N 1.18 0.82 -0.77 1.64 3.38 -1.00 -1.39 115.31 119.16 1q0k h LEU 50 Ca 0.28 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1q0k h LEU 50 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1q0k h LEU 50 CO -0.03 1.01 0.36 0.00 0.09 0.00 0.00 178.44 179.87 1q0k h ALA 51 N 1.06 1.00 -0.59 1.53 0.00 -0.76 -1.35 119.26 120.15 1q0k h ALA 51 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1q0k h ALA 51 Cb 0.72 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1q0k h ALA 51 CO 0.06 0.58 0.16 0.87 0.00 0.00 0.00 179.25 180.91 1q0k h LYS 52 N 1.10 0.93 -0.25 0.00 1.57 -1.03 -1.98 116.57 116.90 1q0k h LYS 52 Ca 0.26 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1q0k h LYS 52 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1q0k h LYS 52 CO -0.03 0.85 0.09 1.25 -0.57 0.00 0.00 179.45 181.04 1q0k h HIS 53 N 0.84 0.16 -0.80 -1.35 2.76 -0.81 0.98 115.15 116.92 1q0k h HIS 53 Ca 0.19 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1q0k h HIS 53 Cb 0.33 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1q0k h HIS 53 CO 0.02 0.07 0.49 0.45 -1.30 0.00 0.00 177.93 177.67 1q0k h HIS 54 N 0.20 1.04 -0.22 5.26 3.86 -0.99 -1.10 115.15 123.21 1q0k h HIS 54 Ca 0.11 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.16 1q0k h HIS 54 Cb 0.08 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 1q0k h HIS 54 CO -0.13 0.69 -0.55 -0.07 0.86 0.00 0.00 177.93 178.74 1q0k h LEU 55 N 1.10 0.73 -0.77 2.43 3.38 -0.84 -2.51 115.31 118.84 1q0k h LEU 55 Ca 0.29 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1q0k h LEU 55 Cb -0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1q0k h LEU 55 CO -0.06 1.13 0.46 0.44 0.09 0.00 0.00 178.44 180.51 1q0k h ASP 56 N 0.50 0.92 -0.59 -0.43 3.32 -0.28 -1.92 116.42 117.95 1q0k h ASP 56 Ca 0.01 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1q0k h ASP 56 Cb 1.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1q0k h ASP 56 CO 0.11 0.71 0.03 0.58 -1.72 0.00 0.00 179.24 178.95 1q0k h VAL 57 N 1.05 1.26 -0.54 -1.35 2.07 -1.11 0.67 116.25 118.31 1q0k h VAL 57 Ca 0.28 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1q0k h VAL 57 Cb -0.04 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1q0k h VAL 57 CO -0.05 0.40 0.30 -0.07 0.02 0.00 0.00 177.57 178.18 1q0k h LEU 58 N 0.95 0.66 -0.33 2.57 3.38 -1.08 0.44 115.31 121.91 1q0k h LEU 58 Ca 0.18 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1q0k h LEU 58 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1q0k h LEU 58 CO 0.02 0.55 -0.03 -0.25 0.09 0.00 0.00 178.44 178.82 1q0k h TRP 59 N 0.72 0.66 0.17 1.13 7.01 -1.10 0.48 115.95 125.02 1q0k h TRP 59 Ca 0.19 -0.13 -0.26 0.00 2.11 0.00 0.00 58.89 60.80 1q0k h TRP 59 Cb 0.03 -0.17 0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1q0k h TRP 59 CO -0.02 0.74 -1.21 0.66 -2.79 0.00 0.00 178.44 175.83 1q0k h SER 60 N 0.39 0.56 0.04 2.65 4.64 -0.75 -3.38 113.55 117.70 1q0k h SER 60 Ca 0.09 -0.92 -0.38 0.00 -0.47 0.00 0.00 61.79 60.11 1q0k h SER 60 Cb 0.50 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1q0k h SER 60 CO 0.02 1.56 -2.25 0.47 -0.87 0.00 0.00 176.83 175.77 1q0k n ASP 61 N -3.93 2.01 -0.07 4.97 9.92 0.15 -4.76 116.55 124.85 1q0k n ASP 61 Ca -0.18 0.07 -0.10 0.00 -0.53 0.00 0.00 54.79 54.05 1q0k n ASP 61 Cb 0.94 -0.65 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 1q0k n ASP 61 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1q0k h TYR 62 N -0.19 0.00 -3.14 1.24 3.20 -1.17 -3.46 116.97 113.45 1q0k h TYR 62 Ca -0.53 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.81 1q0k h TYR 62 Cb 1.86 0.00 0.02 0.00 1.54 0.00 0.00 36.73 40.15 1q0k h TYR 62 CO 0.03 0.69 0.66 -0.06 -1.64 0.00 0.00 178.16 177.85 1q0k s PHE 63 N -2.05 3.30 0.38 -3.82 0.08 0.06 -5.03 117.98 110.91 1q0k s PHE 63 Ca -0.15 1.10 0.08 0.00 0.12 0.00 0.00 56.93 58.09 1q0k s PHE 63 Cb -0.00 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 1q0k s PHE 63 CO 0.43 -1.98 0.20 0.15 -0.10 0.00 0.00 175.22 173.93 1q0k s LYS 64 N 0.82 2.34 0.35 0.44 -0.14 -1.26 -4.78 119.74 117.51 1q0k s LYS 64 Ca 0.61 -1.67 0.15 0.00 -1.36 0.00 0.00 55.97 53.70 1q0k s LYS 64 Cb -0.35 -2.13 1.04 0.00 -1.68 0.00 0.00 37.83 34.71 1q0k s LYS 64 CO 0.32 -0.04 1.71 -1.35 -0.76 0.00 0.00 175.35 175.22 1q0k h PRO 65 N 1.40 0.41 -0.67 -1.68 0.11 -1.99 0.71 132.00 130.29 1q0k h PRO 65 Ca -0.43 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1q0k h PRO 65 Cb 1.25 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1q0k h PRO 65 CO 0.65 0.27 0.25 -1.35 -0.21 0.00 0.00 178.00 177.60 1q0k h PRO 66 N 0.42 0.99 -0.78 1.05 0.11 -1.99 -1.04 132.00 130.77 1q0k h PRO 66 Ca 0.68 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 66.57 1q0k h PRO 66 Cb 1.55 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 1q0k h PRO 66 CO -0.47 0.82 0.30 0.45 -0.21 0.00 0.00 178.00 178.89 1q0k h HIS 67 N 0.97 1.19 0.00 0.65 3.86 -1.26 0.10 115.15 120.66 1q0k h HIS 67 Ca 0.22 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1q0k h HIS 67 Cb 0.22 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1q0k h HIS 67 CO 0.02 0.91 -0.36 0.74 0.86 0.00 0.00 177.93 180.10 1q0k h PHE 68 N 1.13 0.00 -0.04 2.45 0.04 -1.08 0.08 116.94 119.52 1q0k h PHE 68 Ca 0.26 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.92 1q0k h PHE 68 Cb 0.23 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1q0k h PHE 68 CO 0.02 0.36 -0.41 1.49 -0.60 0.00 0.00 178.31 179.17 1q0k h GLU 69 N 0.00 0.35 0.00 1.51 4.81 -0.62 -3.15 114.58 117.48 1q0k h GLU 69 Ca -0.00 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1q0k h GLU 69 Cb 0.89 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1q0k h GLU 69 CO 0.05 0.98 -0.33 0.77 -0.73 0.00 0.00 179.01 179.75 1q0k h SER 70 N -0.18 0.00 -2.97 1.04 0.02 -0.61 -3.34 113.55 107.51 1q0k h SER 70 Ca -0.04 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.30 1q0k h SER 70 Cb 1.10 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.23 1q0k h SER 70 CO 0.08 0.33 -0.75 -0.31 -1.14 0.00 0.00 176.83 175.05 1q0k s TYR 71 N -4.13 2.38 0.31 3.45 2.02 -0.00 -4.96 117.35 116.42 1q0k s TYR 71 Ca -0.02 -2.80 0.32 0.00 -0.37 0.00 0.00 57.07 54.20 1q0k s TYR 71 Cb 0.14 -1.93 1.72 0.00 -0.40 0.00 0.00 41.96 41.49 1q0k s TYR 71 CO 0.70 -0.70 1.96 -1.00 -1.57 0.00 0.00 175.55 174.94 1q0k h PRO 72 N 5.80 0.00 -0.01 -1.71 0.13 -1.68 -0.35 132.00 134.18 1q0k h PRO 72 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1q0k h PRO 72 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1q0k h PRO 72 CO 0.55 0.00 -0.33 -0.85 -0.23 0.00 0.00 178.00 177.13 1q0k n GLU 73 N -2.67 0.73 -0.02 0.86 0.00 -1.26 -4.49 120.64 113.80 1q0k n GLU 73 Ca -0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 57.16 56.58 1q0k n GLU 73 Cb 0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.04 1q0k n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1q0k h LEU 74 N 1.12 0.06 -0.32 -1.84 5.85 -1.38 -0.29 115.31 118.51 1q0k h LEU 74 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1q0k h LEU 74 Cb 0.53 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1q0k h LEU 74 CO 0.00 0.05 -0.11 0.45 -0.34 0.00 0.00 178.44 178.50 1q0k h HIS 75 N 0.12 -0.24 -0.62 1.25 3.86 -1.79 -1.34 115.15 116.38 1q0k h HIS 75 Ca 0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1q0k h HIS 75 Cb 0.03 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1q0k h HIS 75 CO -0.11 -0.17 0.25 1.15 0.86 0.00 0.00 177.93 179.91 1q0k h THR 76 N -0.04 1.23 -0.29 2.45 2.02 -1.80 -1.68 112.91 114.80 1q0k h THR 76 Ca 0.16 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1q0k h THR 76 Cb 0.28 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1q0k h THR 76 CO -0.35 0.28 0.19 0.25 0.37 0.00 0.00 175.52 176.26 1q0k h LEU 77 N 0.86 0.34 -0.48 2.58 5.85 -0.58 0.26 115.31 124.14 1q0k h LEU 77 Ca 0.21 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1q0k h LEU 77 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1q0k h LEU 77 CO -0.02 0.26 -0.03 0.58 -0.34 0.00 0.00 178.44 178.89 1q0k h VAL 78 N 0.39 1.27 -0.47 1.05 2.07 -1.15 -1.38 116.25 118.02 1q0k h VAL 78 Ca 0.11 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1q0k h VAL 78 Cb -0.03 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1q0k h VAL 78 CO -0.02 0.39 0.17 -1.13 0.02 0.00 0.00 177.57 177.00 1q0k h ASN 79 N 0.72 0.62 -0.55 0.57 -0.73 -1.08 -1.62 115.58 113.52 1q0k h ASN 79 Ca 0.13 -0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.11 1q0k h ASN 79 Cb 0.56 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1q0k h ASN 79 CO 0.03 0.58 -0.11 -0.33 -0.37 0.00 0.00 177.43 177.24 1q0k h GLU 80 N 0.68 1.04 -0.59 6.67 5.08 -0.65 -2.16 114.58 124.65 1q0k h GLU 80 Ca 0.16 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1q0k h GLU 80 Cb 0.17 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1q0k h GLU 80 CO -0.01 1.08 0.20 0.00 -1.00 0.00 0.00 179.01 179.27 1q0k h ALA 81 N 0.93 0.77 -0.08 3.43 0.00 -0.48 0.54 119.26 124.37 1q0k h ALA 81 Ca 0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1q0k h ALA 81 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1q0k h ALA 81 CO 0.05 0.43 -0.54 -0.39 0.00 0.00 0.00 179.25 178.80 1q0k h VAL 82 N 0.83 1.36 -0.08 0.00 -1.51 -1.25 -1.70 116.25 113.90 1q0k h VAL 82 Ca 0.19 -1.83 -0.15 0.00 -1.23 0.00 0.00 66.70 63.69 1q0k h VAL 82 Cb 0.27 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1q0k h VAL 82 CO -0.01 0.54 -0.59 0.11 -1.23 0.00 0.00 177.57 176.39 1q0k h LYS 83 N 0.18 0.27 -0.28 5.19 1.57 -1.14 -0.91 116.57 121.45 1q0k h LYS 83 Ca 0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1q0k h LYS 83 Cb 1.01 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1q0k h LYS 83 CO 0.08 0.78 -0.19 0.00 -0.57 0.00 0.00 179.45 179.56 1q0k h ALA 84 N 1.18 1.15 -0.28 3.86 0.00 -0.61 -0.59 119.26 123.97 1q0k h ALA 84 Ca -0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1q0k h ALA 84 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1q0k h ALA 84 CO 0.09 0.54 -0.56 -0.07 0.00 0.00 0.00 179.25 179.25 1q0k h LEU 85 N 0.46 0.97 -0.75 0.00 3.38 -0.94 -1.71 115.31 116.72 1q0k h LEU 85 Ca 0.08 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1q0k h LEU 85 Cb 0.59 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1q0k h LEU 85 CO 0.04 1.33 0.39 0.28 0.09 0.00 0.00 178.44 180.57 1q0k h SER 86 N 0.66 0.96 -0.48 -0.43 0.02 -0.81 -1.65 113.55 111.83 1q0k h SER 86 Ca 0.01 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1q0k h SER 86 Cb 1.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1q0k h SER 86 CO 0.12 0.80 0.13 0.00 -1.14 0.00 0.00 176.83 176.75 1q0k h ALA 87 N 1.20 1.23 -0.09 3.77 0.00 -0.95 -2.12 119.26 122.30 1q0k h ALA 87 Ca 0.26 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1q0k h ALA 87 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1q0k h ALA 87 CO -0.04 0.54 -0.32 0.00 0.00 0.00 0.00 179.25 179.43 1q0k h ALA 88 N 1.36 1.30 -0.69 0.00 0.00 -0.81 -2.33 119.26 118.09 1q0k h ALA 88 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q0k h ALA 88 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1q0k h ALA 88 CO -0.00 0.49 0.41 0.87 0.00 0.00 0.00 179.25 181.01 1q0k h LYS 89 N 0.15 0.93 -0.20 0.00 1.57 -0.64 -2.41 116.57 115.98 1q0k h LYS 89 Ca 0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1q0k h LYS 89 Cb 0.65 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1q0k h LYS 89 CO 0.05 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 1q0k n ALA 90 N -2.32 2.48 -2.36 3.86 0.00 -0.91 -4.88 120.51 116.37 1q0k n ALA 90 Ca 0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1q0k n ALA 90 Cb 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 1q0k n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q0k s SER 91 N -0.99 1.24 0.00 0.00 0.15 -0.91 -5.02 113.70 108.18 1q0k s SER 91 Ca 0.13 -0.89 0.10 0.00 0.70 0.00 0.00 55.95 55.99 1q0k s SER 91 Cb 0.07 0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.51 1q0k s SER 91 CO 0.09 -0.36 0.83 0.35 1.20 0.00 0.00 173.24 175.34 1q0k n THR 92 N 0.32 0.02 -2.63 6.45 -2.24 -1.26 -4.88 114.28 110.06 1q0k n THR 92 Ca -0.15 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 1q0k n THR 92 Cb 0.59 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.99 1q0k n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q0k s ASP 93 N -0.84 6.92 0.51 3.42 -1.08 -1.26 -4.61 116.67 119.73 1q0k s ASP 93 Ca 0.12 1.05 0.24 0.00 -0.52 0.00 0.00 52.55 53.44 1q0k s ASP 93 Cb 0.08 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.32 1q0k s ASP 93 CO 0.13 -0.89 1.71 -0.65 0.52 0.00 0.00 175.17 175.98 1q0k h PRO 94 N 8.14 0.00 -0.34 4.34 0.11 -1.88 -0.88 132.00 141.49 1q0k h PRO 94 Ca -0.21 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 1q0k h PRO 94 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1q0k h PRO 94 CO 1.03 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.64 1q0k h ALA 95 N 1.41 1.06 -0.49 -0.75 0.00 -1.96 -0.62 119.26 117.90 1q0k h ALA 95 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1q0k h ALA 95 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1q0k h ALA 95 CO 0.00 0.57 -0.13 1.79 0.00 0.00 0.00 179.25 181.48 1q0k h THR 96 N 0.56 1.27 -0.81 0.00 1.35 -1.55 -0.78 112.91 112.94 1q0k h THR 96 Ca 0.09 -1.27 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 1q0k h THR 96 Cb 0.63 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 68.09 1q0k h THR 96 CO 0.04 0.44 0.34 1.23 -0.25 0.00 0.00 175.52 177.32 1q0k h GLY 97 N 0.81 1.29 1.93 5.82 0.00 -1.55 -2.24 103.07 109.13 1q0k h GLY 97 Ca 0.12 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1q0k h GLY 97 CO 0.05 0.65 -0.34 -1.61 0.00 0.00 0.00 176.54 175.29 1q0k h GLN 98 N 1.18 0.08 -0.44 4.80 5.75 -0.82 -1.71 115.11 123.94 1q0k h GLN 98 Ca 0.27 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1q0k h GLN 98 Cb 0.20 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1q0k h GLN 98 CO -0.02 0.41 -0.21 -0.22 -2.65 0.00 0.00 178.83 176.14 1q0k h LYS 99 N 0.07 0.89 -0.42 1.69 1.63 -0.57 -1.08 116.57 118.78 1q0k h LYS 99 Ca 0.01 -0.37 -0.12 0.00 -0.85 0.00 0.00 60.65 59.32 1q0k h LYS 99 Cb 0.64 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1q0k h LYS 99 CO 0.05 1.02 -0.19 0.00 -3.45 0.00 0.00 179.45 176.87 1q0k h ALA 100 N 0.98 0.59 -0.27 5.00 0.00 -1.11 -2.59 119.26 121.85 1q0k h ALA 100 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1q0k h ALA 100 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1q0k h ALA 100 CO 0.06 0.55 0.08 -0.07 0.00 0.00 0.00 179.25 179.87 1q0k h LEU 101 N 0.69 0.34 -0.19 0.00 3.38 -1.11 -1.53 115.31 116.90 1q0k h LEU 101 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1q0k h LEU 101 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1q0k h LEU 101 CO 0.06 0.34 0.03 0.44 0.09 0.00 0.00 178.44 179.40 1q0k h ASP 102 N 0.38 0.31 -0.53 -0.43 3.32 -0.87 -2.02 116.42 116.59 1q0k h ASP 102 Ca 0.09 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 1q0k h ASP 102 Cb 0.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1q0k h ASP 102 CO -0.01 0.50 0.06 1.88 -1.72 0.00 0.00 179.24 179.95 1q0k h TYR 103 N 0.11 1.00 -0.58 4.55 0.05 -1.13 -2.51 116.97 118.45 1q0k h TYR 103 Ca 0.06 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1q0k h TYR 103 Cb 0.33 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1q0k h TYR 103 CO 0.02 0.87 0.25 0.82 -1.05 0.00 0.00 178.16 179.07 1q0k h ILE 104 N 0.88 1.20 -0.18 -2.88 2.04 -1.18 -0.45 117.51 116.94 1q0k h ILE 104 Ca 0.17 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1q0k h ILE 104 Cb 0.44 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1q0k h ILE 104 CO 0.02 0.25 -0.20 0.00 0.00 0.00 0.00 178.15 178.21 1q0k h ALA 105 N 1.44 1.33 -0.10 1.87 0.00 -0.95 0.33 119.26 123.19 1q0k h ALA 105 Ca 0.20 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1q0k h ALA 105 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1q0k h ALA 105 CO -0.02 0.45 -0.67 1.96 0.00 0.00 0.00 179.25 180.97 1q0k h GLN 106 N 0.28 0.63 -0.57 0.00 4.20 -0.95 -2.09 115.11 116.61 1q0k h GLN 106 Ca 0.05 -0.55 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 1q0k h GLN 106 Cb 0.52 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1q0k h GLN 106 CO 0.03 1.16 0.15 0.82 -0.67 0.00 0.00 178.83 180.32 1q0k h ILE 107 N 0.27 1.25 -0.55 2.54 2.04 -0.78 -2.44 117.51 119.84 1q0k h ILE 107 Ca -0.06 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1q0k h ILE 107 Cb 1.32 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1q0k h ILE 107 CO 0.14 0.32 0.26 -0.78 0.00 0.00 0.00 178.15 178.09 1q0k h ASP 108 N 0.81 0.36 -0.32 1.72 3.58 -0.33 0.11 116.42 122.34 1q0k h ASP 108 Ca 0.18 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.71 1q0k h ASP 108 Cb 0.33 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1q0k h ASP 108 CO 0.00 0.24 0.10 0.50 -2.88 0.00 0.00 179.24 177.20 1q0k h LYS 109 N 0.50 0.23 -0.50 0.28 3.64 -1.04 -1.47 116.57 118.21 1q0k h LYS 109 Ca 0.25 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1q0k h LYS 109 Cb 0.19 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1q0k h LYS 109 CO -0.19 0.15 -0.03 0.82 -2.27 0.00 0.00 179.45 177.93 1q0k h ILE 110 N 0.23 1.25 0.24 2.00 2.04 -0.98 -2.25 117.51 120.04 1q0k h ILE 110 Ca 0.15 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1q0k h ILE 110 Cb 0.13 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1q0k h ILE 110 CO -0.16 0.38 -0.34 0.15 0.00 0.00 0.00 178.15 178.18 1q0k h PHE 111 N 0.79 -0.91 0.00 1.37 3.57 -0.10 -1.71 116.94 119.94 1q0k h PHE 111 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1q0k h PHE 111 Cb 0.51 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1q0k h PHE 111 CO 0.03 -0.46 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.00 1q0k h TRP 112 N -0.64 0.00 -0.28 0.41 4.06 -1.20 -2.01 115.95 116.29 1q0k h TRP 112 Ca 0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 1q0k h TRP 112 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1q0k h TRP 112 CO -0.24 0.15 -0.33 0.93 -3.56 0.00 0.00 178.44 175.39 1q0k h GLU 113 N 0.00 0.60 0.00 0.49 5.08 -0.85 -2.01 114.58 117.90 1q0k h GLU 113 Ca -0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1q0k h GLU 113 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1q0k h GLU 113 CO 0.02 0.85 0.00 1.79 -1.00 0.00 0.00 179.01 180.67 1q0k h THR 114 N 0.51 0.00 0.00 1.13 1.35 -0.60 -2.17 112.91 113.14 1q0k h THR 114 Ca 0.06 -0.56 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 1q0k h THR 114 Cb 0.82 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1q0k h THR 114 CO 0.07 0.00 -0.41 0.11 -0.25 0.00 0.00 175.52 175.03 1q0k h LYS 115 N 0.00 0.00 0.00 4.72 1.79 -1.01 -3.15 116.57 118.92 1q0k h LYS 115 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1q0k h LYS 115 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1q0k h LYS 115 CO 0.00 0.29 -0.31 1.63 -1.08 0.00 0.00 179.45 179.98 1q0k n LYS 116 N -3.13 0.28 0.00 3.15 5.02 -0.84 -5.10 118.16 117.53 1q0k n LYS 116 Ca 0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1q0k n LYS 116 Cb 0.66 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1q0k n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88