#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 0.55 -4.40 -0.10 0.00 2.03 -1.26 -4.93 116.55 108.45 1q0k n ASP 3 Ca 0.14 0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.57 1q0k n ASP 3 Cb 0.49 -2.68 -0.03 0.00 -0.72 0.00 0.00 41.12 38.18 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 0.44-10.41 -2.67 5.85 -2.03 -3.46 115.31 103.03 1q0k h LEU 4 Ca -0.18 -0.20 -0.48 0.00 0.84 0.00 0.00 57.88 57.86 1q0k h LEU 4 Cb 0.69 -0.12 0.05 0.00 0.37 0.00 0.00 40.66 41.66 1q0k h LEU 4 CO 0.27 0.53 0.18 -2.16 -0.34 0.00 0.00 178.44 176.92 1q0k s PRO 5 N -5.42 3.02 -0.01 5.25 0.04 -1.26 -5.13 135.00 131.49 1q0k s PRO 5 Ca -0.13 0.06 0.18 0.00 0.04 0.00 0.00 61.00 61.15 1q0k s PRO 5 Cb 0.09 -2.27 -0.25 0.00 0.04 0.00 0.00 34.50 32.11 1q0k s PRO 5 CO 0.74 -0.64 0.57 0.00 0.04 0.00 0.00 177.00 177.70 1q0k n GLY 7 N 1.44 0.73 3.31 0.00 0.00 -1.26 -4.97 105.19 104.45 1q0k n GLY 7 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.94 3.98 0.09 1.61 1.01 -1.26 -4.96 120.40 117.94 1q0k s VAL 8 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1q0k s VAL 8 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1q0k s VAL 8 CO 0.00 -0.11 -0.09 -0.31 0.00 0.00 0.00 175.10 174.59 1q0k s TYR 9 N 1.46 1.00 -0.30 5.22 2.02 -1.26 -1.46 117.35 124.02 1q0k s TYR 9 Ca 0.00 -0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 55.86 1q0k s TYR 9 Cb -0.19 -0.55 0.17 0.00 -0.40 0.00 0.00 41.96 40.99 1q0k s TYR 9 CO 0.03 -0.03 1.01 0.34 -1.57 0.00 0.00 175.55 175.33 1q0k s ASP 10 N -2.50 -0.55 0.14 2.29 -1.08 -1.26 -5.00 116.67 108.71 1q0k s ASP 10 Ca 0.06 0.65 0.09 0.00 -0.52 0.00 0.00 52.55 52.83 1q0k s ASP 10 Cb -0.02 1.58 0.51 0.00 -1.46 0.00 0.00 42.92 43.54 1q0k s ASP 10 CO -0.01 -0.10 1.29 -2.65 0.52 0.00 0.00 175.17 174.21 1q0k n PRO 11 N 5.05 0.06 0.26 4.34 -0.02 -1.26 -1.79 135.00 141.64 1q0k n PRO 11 Ca -0.08 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1q0k n PRO 11 Cb 0.53 -1.71 0.66 0.00 -0.02 0.00 0.00 33.50 32.96 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 1.99 1.97 -0.21 3.55 0.00 -1.98 -0.34 119.26 124.24 1q0k h ALA 12 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q0k h ALA 12 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1q0k h ALA 12 CO 0.00 0.00 0.13 1.96 0.00 0.00 0.00 179.25 181.34 1q0k h GLN 13 N 0.00 0.28 -0.37 0.00 4.20 -1.79 0.42 115.11 117.85 1q0k h GLN 13 Ca -0.00 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1q0k h GLN 13 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1q0k h GLN 13 CO 0.00 0.21 -0.11 0.00 -0.67 0.00 0.00 178.83 178.26 1q0k h ALA 14 N 1.05 0.51 -0.29 3.87 0.00 -1.55 -3.07 119.26 119.79 1q0k h ALA 14 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1q0k h ALA 14 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1q0k h ALA 14 CO -0.01 0.39 0.17 -0.09 0.00 0.00 0.00 179.25 179.70 1q0k h ARG 15 N 0.52 0.34 -0.66 0.00 2.43 -0.81 -0.68 114.38 115.52 1q0k h ARG 15 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1q0k h ARG 15 Cb 0.63 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1q0k h ARG 15 CO 0.04 0.23 0.44 0.82 -1.51 0.00 0.00 179.97 179.99 1q0k h ILE 16 N 0.35 1.16 -0.08 1.20 2.04 -0.94 0.29 117.51 121.54 1q0k h ILE 16 Ca 0.11 -0.31 -0.22 0.00 1.00 0.00 0.00 64.86 65.44 1q0k h ILE 16 Cb -0.01 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1q0k h ILE 16 CO -0.04 0.16 -0.83 -0.33 0.00 0.00 0.00 178.15 177.10 1q0k h GLU 17 N 0.89 0.59 -0.11 2.37 4.39 -1.38 -2.77 114.58 118.56 1q0k h GLU 17 Ca 0.25 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 1q0k h GLU 17 Cb -0.09 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1q0k h GLU 17 CO -0.05 1.15 -0.33 0.00 -1.16 0.00 0.00 179.01 178.62 1q0k h ALA 18 N 0.69 1.25 -0.19 3.43 0.00 -0.35 -1.72 119.26 122.37 1q0k h ALA 18 Ca -0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1q0k h ALA 18 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1q0k h ALA 18 CO 0.16 0.51 -0.31 0.93 0.00 0.00 0.00 179.25 180.54 1q0k h GLU 19 N 0.19 0.37 -0.39 0.00 5.08 -0.37 -1.88 114.58 117.57 1q0k h GLU 19 Ca 0.02 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1q0k h GLU 19 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1q0k h GLU 19 CO 0.05 0.64 -0.37 0.77 -1.00 0.00 0.00 179.01 179.11 1q0k h SER 20 N 0.32 1.00 -0.15 1.42 0.02 -1.12 -0.04 113.55 115.00 1q0k h SER 20 Ca 0.04 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1q0k h SER 20 Cb 0.71 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1q0k h SER 20 CO 0.05 1.25 -0.06 0.58 -1.14 0.00 0.00 176.83 177.51 1q0k h VAL 21 N 0.77 0.80 -0.48 2.27 2.07 -0.95 0.77 116.25 121.49 1q0k h VAL 21 Ca 0.07 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 1q0k h VAL 21 Cb 0.96 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1q0k h VAL 21 CO 0.09 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 178.01 1q0k h LYS 22 N -0.04 0.95 -0.47 1.57 3.64 -1.25 -2.03 116.57 118.94 1q0k h LYS 22 Ca 0.08 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1q0k h LYS 22 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1q0k h LYS 22 CO -0.18 1.04 0.18 0.00 -2.27 0.00 0.00 179.45 178.23 1q0k h ALA 23 N 0.96 1.42 -0.42 5.00 0.00 -0.67 -0.73 119.26 124.83 1q0k h ALA 23 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1q0k h ALA 23 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q0k h ALA 23 CO 0.06 0.44 -0.26 0.82 0.00 0.00 0.00 179.25 180.30 1q0k h ILE 24 N 0.68 1.27 -0.79 0.00 2.04 -0.56 -2.02 117.51 118.13 1q0k h ILE 24 Ca 0.16 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 1q0k h ILE 24 Cb 0.16 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1q0k h ILE 24 CO -0.01 0.48 0.38 1.56 0.00 0.00 0.00 178.15 180.56 1q0k h GLN 25 N 0.74 1.13 -0.69 2.37 4.20 -0.73 -0.43 115.11 121.70 1q0k h GLN 25 Ca 0.09 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1q0k h GLN 25 Cb 0.84 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1q0k h GLN 25 CO 0.07 0.87 0.25 0.93 -0.67 0.00 0.00 178.83 180.28 1q0k h GLU 26 N 1.12 1.05 0.00 1.46 5.08 -0.92 -2.13 114.58 120.24 1q0k h GLU 26 Ca 0.27 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1q0k h GLU 26 Cb 0.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1q0k h GLU 26 CO -0.03 0.88 -0.24 0.87 -1.00 0.00 0.00 179.01 179.49 1q0k h LYS 27 N 0.99 0.00 0.00 2.33 1.57 -0.80 -2.71 116.57 117.95 1q0k h LYS 27 Ca 0.23 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1q0k h LYS 27 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1q0k h LYS 27 CO -0.01 0.24 -0.41 0.52 -0.57 0.00 0.00 179.45 179.21 1q0k h MET 28 N 0.00 0.00 0.00 3.15 2.86 -0.43 -2.86 114.93 117.65 1q0k h MET 28 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1q0k h MET 28 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1q0k h MET 28 CO 0.03 0.41 -0.07 0.00 1.06 0.00 0.00 176.91 178.34 1q0k h ALA 29 N 1.59 0.98 0.00 6.32 0.00 -1.17 -3.25 119.26 123.73 1q0k h ALA 29 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1q0k h ALA 29 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1q0k h ALA 29 CO 0.05 0.09 -1.30 0.00 0.00 0.00 0.00 179.25 178.09 1q0k n ALA 30 N -2.12 2.86 -3.70 0.00 0.00 -1.09 -4.87 120.51 111.58 1q0k n ALA 30 Ca 0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 1q0k n ALA 30 Cb 0.45 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.76 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 -4.70 2.09 -0.02 0.00 2.47 -1.14 -5.01 114.94 108.62 1q0k s ASN 31 Ca -0.01 -0.41 0.11 0.00 0.42 0.00 0.00 52.86 52.97 1q0k s ASN 31 Cb 0.12 -0.38 0.35 0.00 -1.45 0.00 0.00 41.25 39.89 1q0k s ASN 31 CO 0.83 -0.28 1.26 -0.67 -3.72 0.00 0.00 177.10 174.52 1q0k n ASP 32 N 5.18 2.28 -4.72 -4.21 -0.08 -1.26 -4.70 116.55 109.04 1q0k n ASP 32 Ca -0.07 -2.08 -0.42 0.00 -1.51 0.00 0.00 54.79 50.71 1q0k n ASP 32 Cb 0.49 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 1q0k n ASP 32 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1q0k s ASP 33 N -0.90 6.41 0.11 1.67 -1.08 -1.26 -4.87 116.67 116.75 1q0k s ASP 33 Ca 0.26 2.83 -0.33 0.00 -0.52 0.00 0.00 52.55 54.79 1q0k s ASP 33 Cb 0.15 -2.60 -0.12 0.00 -1.46 0.00 0.00 42.92 38.88 1q0k s ASP 33 CO 0.16 -0.94 1.57 0.25 0.52 0.00 0.00 175.17 176.72 1q0k h LEU 34 N 6.65 -1.50 -1.06 -1.34 5.85 -1.99 0.11 115.31 122.04 1q0k h LEU 34 Ca -0.43 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1q0k h LEU 34 Cb 1.20 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.74 1q0k h LEU 34 CO 0.94 -0.52 0.63 0.45 -0.34 0.00 0.00 178.44 179.59 1q0k h HIS 35 N -0.69 1.15 -0.48 1.25 3.86 -2.00 -0.06 115.15 118.19 1q0k h HIS 35 Ca 0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1q0k h HIS 35 Cb 0.72 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1q0k h HIS 35 CO -0.45 0.63 0.05 0.35 0.86 0.00 0.00 177.93 179.36 1q0k h PHE 36 N 1.16 0.88 -0.48 2.45 3.57 -1.84 -1.84 116.94 120.83 1q0k h PHE 36 Ca 0.40 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1q0k h PHE 36 Cb 0.11 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1q0k h PHE 36 CO -0.00 0.82 0.21 1.96 -2.23 0.00 0.00 178.31 179.07 1q0k h GLN 37 N 0.69 0.68 -0.16 1.11 1.08 0.36 0.28 115.11 119.14 1q0k h GLN 37 Ca 0.14 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1q0k h GLN 37 Cb 0.44 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1q0k h GLN 37 CO 0.02 0.54 -0.11 0.82 -0.95 0.00 0.00 178.83 179.15 1q0k h ILE 38 N 0.68 1.33 -0.53 2.54 2.04 -0.75 -1.85 117.51 120.97 1q0k h ILE 38 Ca 0.17 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 1q0k h ILE 38 Cb 0.10 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1q0k h ILE 38 CO -0.02 0.36 0.04 0.03 0.00 0.00 0.00 178.15 178.56 1q0k h ARG 39 N 0.01 0.90 -0.74 2.37 3.08 -1.01 -1.41 114.38 117.58 1q0k h ARG 39 Ca 0.03 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1q0k h ARG 39 Cb 0.61 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1q0k h ARG 39 CO 0.03 0.90 0.38 0.00 -1.07 0.00 0.00 179.97 180.21 1q0k h ALA 40 N 0.96 0.95 -0.23 0.04 0.00 -0.98 -0.66 119.26 119.34 1q0k h ALA 40 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q0k h ALA 40 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q0k h ALA 40 CO 0.02 0.49 0.12 1.15 0.00 0.00 0.00 179.25 181.03 1q0k h THR 41 N 1.03 1.13 -0.35 0.00 2.02 -1.09 0.14 112.91 115.79 1q0k h THR 41 Ca 0.26 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1q0k h THR 41 Cb 0.08 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1q0k h THR 41 CO -0.04 0.13 0.23 0.58 0.37 0.00 0.00 175.52 176.79 1q0k h VAL 42 N 0.26 1.10 -0.26 3.16 2.07 -0.98 -1.62 116.25 119.98 1q0k h VAL 42 Ca 0.08 -0.19 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1q0k h VAL 42 Cb 0.10 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1q0k h VAL 42 CO -0.01 0.09 -0.55 0.40 0.02 0.00 0.00 177.57 177.52 1q0k h ILE 43 N 0.47 1.29 -0.85 4.57 2.04 -1.04 -2.74 117.51 121.25 1q0k h ILE 43 Ca 0.13 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1q0k h ILE 43 Cb -0.04 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1q0k h ILE 43 CO -0.03 0.57 0.48 0.50 0.00 0.00 0.00 178.15 179.67 1q0k h LYS 44 N 0.60 1.17 -0.34 2.37 3.64 -0.86 -0.69 116.57 122.45 1q0k h LYS 44 Ca 0.01 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1q0k h LYS 44 Cb 1.14 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1q0k h LYS 44 CO 0.12 0.84 0.12 1.49 -2.27 0.00 0.00 179.45 179.75 1q0k h GLU 45 N 1.17 0.27 -0.48 1.90 4.57 -1.17 -0.78 114.58 120.05 1q0k h GLU 45 Ca 0.30 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1q0k h GLU 45 Cb -0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1q0k h GLU 45 CO -0.05 0.18 -0.06 1.96 -1.18 0.00 0.00 179.01 179.85 1q0k h GLN 46 N 0.27 0.88 -0.34 1.92 4.20 -1.14 -2.16 115.11 118.75 1q0k h GLN 46 Ca 0.15 -0.31 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 1q0k h GLN 46 Cb 0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1q0k h GLN 46 CO -0.15 0.95 -0.32 0.00 -0.67 0.00 0.00 178.83 178.64 1q0k h ARG 47 N 0.73 0.75 -0.63 1.46 2.47 -0.87 -1.76 114.38 116.53 1q0k h ARG 47 Ca 0.13 -0.35 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 1q0k h ARG 47 Cb 0.59 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 1q0k h ARG 47 CO 0.04 0.97 0.08 0.00 0.56 0.00 0.00 179.97 181.61 1q0k h ALA 48 N 1.00 0.84 -0.58 0.04 0.00 -1.12 -0.58 119.26 118.86 1q0k h ALA 48 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1q0k h ALA 48 Cb 0.85 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1q0k h ALA 48 CO 0.07 0.63 0.35 1.49 0.00 0.00 0.00 179.25 181.79 1q0k h GLU 49 N 0.98 0.79 -0.59 0.00 4.57 -1.19 0.19 114.58 119.32 1q0k h GLU 49 Ca 0.19 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1q0k h GLU 49 Cb 0.47 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1q0k h GLU 49 CO 0.02 0.56 0.22 -0.07 -1.18 0.00 0.00 179.01 178.56 1q0k h LEU 50 N 0.78 0.84 -0.72 1.64 3.38 -1.04 -1.29 115.31 118.90 1q0k h LEU 50 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1q0k h LEU 50 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1q0k h LEU 50 CO -0.04 0.80 0.44 0.00 0.09 0.00 0.00 178.44 179.73 1q0k h ALA 51 N 1.07 0.91 -0.76 1.53 0.00 -0.67 -1.59 119.26 119.76 1q0k h ALA 51 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1q0k h ALA 51 Cb 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1q0k h ALA 51 CO -0.01 0.38 0.31 0.87 0.00 0.00 0.00 179.25 180.79 1q0k h LYS 52 N 0.98 1.13 -0.21 0.00 1.57 -0.57 -2.49 116.57 116.98 1q0k h LYS 52 Ca 0.26 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1q0k h LYS 52 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1q0k h LYS 52 CO -0.05 0.91 0.10 1.25 -0.57 0.00 0.00 179.45 181.09 1q0k h HIS 53 N 1.10 0.30 -0.76 -1.35 2.76 -0.74 -0.52 115.15 115.95 1q0k h HIS 53 Ca 0.26 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.45 1q0k h HIS 53 Cb 0.20 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 1q0k h HIS 53 CO 0.02 0.31 0.47 0.45 -1.30 0.00 0.00 177.93 177.89 1q0k h HIS 54 N 0.20 0.88 -0.38 5.26 3.86 -1.12 -0.78 115.15 123.07 1q0k h HIS 54 Ca 0.07 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1q0k h HIS 54 Cb 0.13 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1q0k h HIS 54 CO -0.02 0.49 0.01 -0.07 0.86 0.00 0.00 177.93 179.20 1q0k h LEU 55 N 0.91 0.65 -0.95 2.43 3.38 -1.27 -2.02 115.31 118.44 1q0k h LEU 55 Ca 0.31 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1q0k h LEU 55 Cb 0.06 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1q0k h LEU 55 CO -0.13 0.79 0.59 0.44 0.09 0.00 0.00 178.44 180.22 1q0k h ASP 56 N 0.49 0.91 -0.46 -0.43 3.32 -0.53 -0.59 116.42 119.14 1q0k h ASP 56 Ca 0.11 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1q0k h ASP 56 Cb 0.45 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1q0k h ASP 56 CO 0.02 0.55 -0.05 0.58 -1.72 0.00 0.00 179.24 178.62 1q0k h VAL 57 N 1.03 1.26 -0.16 -1.35 2.07 -0.92 0.13 116.25 118.31 1q0k h VAL 57 Ca 0.43 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1q0k h VAL 57 Cb 0.28 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1q0k h VAL 57 CO -0.21 0.40 0.07 -0.07 0.02 0.00 0.00 177.57 177.78 1q0k h LEU 58 N 0.82 0.21 -0.49 2.57 3.38 -0.58 0.17 115.31 121.40 1q0k h LEU 58 Ca 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1q0k h LEU 58 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1q0k h LEU 58 CO 0.03 0.29 0.30 -0.25 0.09 0.00 0.00 178.44 178.90 1q0k h TRP 59 N 0.12 0.64 0.07 1.13 7.01 -0.87 -0.77 115.95 123.27 1q0k h TRP 59 Ca 0.05 0.00 -0.29 0.00 2.11 0.00 0.00 58.89 60.76 1q0k h TRP 59 Cb 0.14 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1q0k h TRP 59 CO -0.02 0.43 -1.55 0.66 -2.79 0.00 0.00 178.44 175.18 1q0k h SER 60 N 0.65 0.22 0.00 2.65 4.64 -0.70 -3.39 113.55 117.63 1q0k h SER 60 Ca 0.18 -0.35 -0.39 0.00 -0.47 0.00 0.00 61.79 60.75 1q0k h SER 60 Cb -0.02 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 61.93 1q0k h SER 60 CO -0.03 1.29 -2.42 0.47 -0.87 0.00 0.00 176.83 175.27 1q0k n ASP 61 N -3.32 2.01 -0.07 4.97 9.92 0.59 -4.81 116.55 125.83 1q0k n ASP 61 Ca -0.16 0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 54.02 1q0k n ASP 61 Cb 1.03 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 40.90 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 -0.34 0.00 -3.08 1.24 3.20 -1.20 -3.46 116.97 113.33 1q0k h TYR 62 Ca -0.59 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.75 1q0k h TYR 62 Cb 1.75 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.04 1q0k h TYR 62 CO -0.01 0.77 0.66 -0.06 -1.64 0.00 0.00 178.16 177.87 1q0k s PHE 63 N -2.10 3.31 0.43 -3.82 0.08 -0.40 -5.03 117.98 110.45 1q0k s PHE 63 Ca -0.16 1.10 0.07 0.00 0.12 0.00 0.00 56.93 58.05 1q0k s PHE 63 Cb 0.00 -3.57 -0.04 0.00 -0.57 0.00 0.00 43.02 38.85 1q0k s PHE 63 CO 0.45 -1.91 0.21 0.15 -0.10 0.00 0.00 175.22 174.03 1q0k s LYS 64 N 1.14 2.25 0.27 0.44 -0.14 -1.26 -4.77 119.74 117.67 1q0k s LYS 64 Ca 0.62 -1.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.36 1q0k s LYS 64 Cb -0.33 -2.01 0.61 0.00 -1.68 0.00 0.00 37.83 34.42 1q0k s LYS 64 CO 0.30 -0.18 1.65 -1.35 -0.76 0.00 0.00 175.35 175.00 1q0k h PRO 65 N 1.32 0.19 -0.48 -1.68 0.11 -1.99 0.11 132.00 129.59 1q0k h PRO 65 Ca -0.42 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1q0k h PRO 65 Cb 1.26 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1q0k h PRO 65 CO 0.68 0.13 0.32 -1.35 -0.21 0.00 0.00 178.00 177.57 1q0k h PRO 66 N 0.20 0.44 -0.12 1.05 0.11 -1.99 -1.08 132.00 130.61 1q0k h PRO 66 Ca 0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 1q0k h PRO 66 Cb 0.97 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1q0k h PRO 66 CO -0.64 0.29 -0.12 0.45 -0.21 0.00 0.00 178.00 177.78 1q0k h HIS 67 N 0.46 0.36 0.00 0.65 3.86 -1.19 -0.78 115.15 118.50 1q0k h HIS 67 Ca 0.20 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1q0k h HIS 67 Cb 0.24 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1q0k h HIS 67 CO -0.00 0.70 0.00 0.74 0.86 0.00 0.00 177.93 180.23 1q0k h PHE 68 N -0.09 0.00 0.15 2.45 0.04 -0.81 -1.02 116.94 117.66 1q0k h PHE 68 Ca 0.02 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.45 1q0k h PHE 68 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1q0k h PHE 68 CO 0.08 0.00 -1.78 0.93 -0.60 0.00 0.00 178.31 176.95 1q0k h GLU 69 N 0.00 0.31 -0.24 1.51 4.39 -0.99 -3.19 114.58 116.37 1q0k h GLU 69 Ca 0.00 -0.54 -0.09 0.00 0.34 0.00 0.00 59.36 59.07 1q0k h GLU 69 Cb 0.26 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1q0k h GLU 69 CO 0.00 1.26 -0.23 0.77 -1.16 0.00 0.00 179.01 179.64 1q0k h SER 70 N -0.00 0.44 -2.91 1.42 0.02 -0.62 -3.33 113.55 108.56 1q0k h SER 70 Ca -0.37 -0.14 -0.61 0.00 -0.84 0.00 0.00 61.79 59.83 1q0k h SER 70 Cb 2.00 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 64.01 1q0k h SER 70 CO 0.12 0.68 -0.68 -0.31 -1.14 0.00 0.00 176.83 175.49 1q0k s TYR 71 N -4.52 2.88 -0.23 3.45 1.51 -0.43 -4.96 117.35 115.05 1q0k s TYR 71 Ca -0.07 -3.06 0.11 0.00 -1.01 0.00 0.00 57.07 53.04 1q0k s TYR 71 Cb 0.14 -2.22 0.58 0.00 -0.11 0.00 0.00 41.96 40.35 1q0k s TYR 71 CO 0.78 -0.62 1.23 -2.30 -1.11 0.00 0.00 175.55 173.52 1q0k n PRO 72 N 2.22 0.07 0.00 -1.71 -0.02 -1.21 -0.69 135.00 133.67 1q0k n PRO 72 Ca 0.22 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1q0k n PRO 72 Cb 0.38 -1.94 0.10 0.00 -0.02 0.00 0.00 33.50 32.02 1q0k n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1q0k n GLU 73 N -1.88 1.49 -0.09 -0.52 0.00 -1.26 -4.57 120.64 113.82 1q0k n GLU 73 Ca -0.01 -1.19 -0.06 0.00 0.00 0.00 0.00 57.16 55.90 1q0k n GLU 73 Cb 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.19 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 2.91 -0.15 -0.22 -1.84 5.85 -1.23 -1.38 115.31 119.26 1q0k h LEU 74 Ca 0.00 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1q0k h LEU 74 Cb 0.78 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1q0k h LEU 74 CO 0.00 -0.04 -0.24 0.45 -0.34 0.00 0.00 178.44 178.27 1q0k h HIS 75 N 0.08 -0.64 -0.64 1.25 3.86 -1.81 -1.03 115.15 116.22 1q0k h HIS 75 Ca 0.15 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1q0k h HIS 75 Cb 0.21 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1q0k h HIS 75 CO -0.24 -0.32 0.41 1.15 0.86 0.00 0.00 177.93 179.80 1q0k h THR 76 N -0.26 1.13 -0.14 2.45 2.02 -1.82 -0.56 112.91 115.74 1q0k h THR 76 Ca 0.13 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1q0k h THR 76 Cb 0.46 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1q0k h THR 76 CO -0.37 0.15 0.01 0.25 0.37 0.00 0.00 175.52 175.93 1q0k h LEU 77 N 0.83 -0.04 -0.47 2.58 5.85 -0.56 0.30 115.31 123.80 1q0k h LEU 77 Ca 0.24 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1q0k h LEU 77 Cb -0.05 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1q0k h LEU 77 CO -0.07 0.00 0.02 0.58 -0.34 0.00 0.00 178.44 178.63 1q0k h VAL 78 N 0.06 1.26 -0.64 1.05 2.07 -1.01 0.10 116.25 119.13 1q0k h VAL 78 Ca 0.06 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1q0k h VAL 78 Cb 0.07 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1q0k h VAL 78 CO -0.10 0.36 0.30 -1.13 0.02 0.00 0.00 177.57 177.01 1q0k h ASN 79 N 0.67 0.83 -0.41 0.57 -0.73 -0.80 -1.23 115.58 114.48 1q0k h ASN 79 Ca 0.14 -0.09 -0.14 0.00 1.87 0.00 0.00 56.30 58.07 1q0k h ASN 79 Cb 0.48 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1q0k h ASN 79 CO 0.02 0.71 -0.29 -0.33 -0.37 0.00 0.00 177.43 177.18 1q0k h GLU 80 N 0.91 0.95 -0.40 6.67 5.08 -0.06 -1.53 114.58 126.20 1q0k h GLU 80 Ca 0.22 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1q0k h GLU 80 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1q0k h GLU 80 CO -0.03 1.10 0.19 0.00 -1.00 0.00 0.00 179.01 179.27 1q0k h ALA 81 N 0.86 0.52 -0.35 3.43 0.00 -0.31 0.17 119.26 123.58 1q0k h ALA 81 Ca 0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1q0k h ALA 81 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1q0k h ALA 81 CO 0.08 0.09 -0.25 -0.39 0.00 0.00 0.00 179.25 178.77 1q0k h VAL 82 N 0.51 1.27 -0.11 0.00 -1.51 -1.20 -1.24 116.25 113.98 1q0k h VAL 82 Ca 0.14 -1.35 -0.09 0.00 -1.23 0.00 0.00 66.70 64.17 1q0k h VAL 82 Cb 0.13 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1q0k h VAL 82 CO -0.02 0.45 -0.33 0.11 -1.23 0.00 0.00 177.57 176.55 1q0k h LYS 83 N 0.61 0.21 -0.11 5.19 1.57 -0.98 -1.53 116.57 121.54 1q0k h LYS 83 Ca 0.08 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1q0k h LYS 83 Cb 0.74 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1q0k h LYS 83 CO 0.06 0.52 -0.46 0.00 -0.57 0.00 0.00 179.45 179.00 1q0k h ALA 84 N 1.48 1.02 -0.21 3.86 0.00 -0.19 -1.88 119.26 123.34 1q0k h ALA 84 Ca 0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1q0k h ALA 84 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1q0k h ALA 84 CO 0.05 0.63 -0.46 -0.07 0.00 0.00 0.00 179.25 179.40 1q0k h LEU 85 N 0.21 0.57 -0.64 0.00 3.38 -0.47 -1.66 115.31 116.71 1q0k h LEU 85 Ca 0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1q0k h LEU 85 Cb 0.90 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1q0k h LEU 85 CO 0.07 0.95 0.09 0.28 0.09 0.00 0.00 178.44 179.91 1q0k h SER 86 N 0.42 1.02 0.14 -0.43 0.02 -1.01 -1.55 113.55 112.17 1q0k h SER 86 Ca 0.03 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1q0k h SER 86 Cb 0.97 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1q0k h SER 86 CO 0.09 1.03 -0.24 0.00 -1.14 0.00 0.00 176.83 176.57 1q0k h ALA 87 N 1.03 1.41 -0.14 3.77 0.00 -1.18 -2.22 119.26 121.91 1q0k h ALA 87 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1q0k h ALA 87 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1q0k h ALA 87 CO 0.02 0.42 -0.49 0.00 0.00 0.00 0.00 179.25 179.20 1q0k h ALA 88 N 1.59 0.90 -0.89 0.00 0.00 -0.69 -2.75 119.26 117.42 1q0k h ALA 88 Ca 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1q0k h ALA 88 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1q0k h ALA 88 CO 0.04 0.66 0.47 0.87 0.00 0.00 0.00 179.25 181.28 1q0k h LYS 89 N 0.30 1.25 -0.07 0.00 1.57 -0.69 -2.42 116.57 116.51 1q0k h LYS 89 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1q0k h LYS 89 Cb 0.97 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1q0k h LYS 89 CO 0.08 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.89 1q0k n ALA 90 N -2.41 2.56 -2.37 3.86 0.00 -1.06 -4.86 120.51 116.22 1q0k n ALA 90 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1q0k n ALA 90 Cb 0.11 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.49 1.42 0.00 0.00 0.15 -0.91 -5.02 113.70 107.85 1q0k s SER 91 Ca 0.26 -0.89 0.12 0.00 0.70 0.00 0.00 55.95 56.14 1q0k s SER 91 Cb 0.13 0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1q0k s SER 91 CO 0.21 -0.32 0.77 0.35 1.20 0.00 0.00 173.24 175.44 1q0k n THR 92 N 0.29 0.00 -2.61 6.45 -2.24 -1.26 -4.89 114.28 110.02 1q0k n THR 92 Ca -0.14 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 1q0k n THR 92 Cb 0.59 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 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 -1.32 7.00 0.65 3.42 -1.08 -1.26 -4.68 116.67 119.39 1q0k s ASP 93 Ca 0.12 1.31 0.33 0.00 -0.52 0.00 0.00 52.55 53.78 1q0k s ASP 93 Cb 0.10 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.81 1q0k s ASP 93 CO 0.24 -0.77 2.04 -0.65 0.52 0.00 0.00 175.17 176.55 1q0k h PRO 94 N 7.86 0.00 0.00 4.34 0.11 -1.90 -1.06 132.00 141.36 1q0k h PRO 94 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 1q0k h PRO 94 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q0k h PRO 94 CO 1.00 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.65 1q0k h ALA 95 N 1.55 1.69 -0.08 -0.75 0.00 -1.98 0.18 119.26 119.89 1q0k h ALA 95 Ca 0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1q0k h ALA 95 Cb 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q0k h ALA 95 CO -0.00 0.17 -0.83 1.79 0.00 0.00 0.00 179.25 180.38 1q0k h THR 96 N 0.00 1.33 -0.34 0.00 1.35 -1.58 -1.70 112.91 111.98 1q0k h THR 96 Ca -0.00 -2.16 -0.11 0.00 -0.55 0.00 0.00 66.41 63.59 1q0k h THR 96 Cb 0.25 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1q0k h THR 96 CO 0.02 0.66 -0.25 1.23 -0.25 0.00 0.00 175.52 176.93 1q0k h GLY 97 N 0.91 0.73 1.15 5.82 0.00 -1.49 -2.79 103.07 107.42 1q0k h GLY 97 Ca -0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 1q0k h GLY 97 CO 0.16 0.57 -0.00 -1.61 0.00 0.00 0.00 176.54 175.66 1q0k h GLN 98 N 0.59 1.01 -0.86 4.80 5.75 -0.88 -1.81 115.11 123.72 1q0k h GLN 98 Ca 0.08 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1q0k h GLN 98 Cb 0.73 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1q0k h GLN 98 CO 0.06 0.99 0.47 -0.22 -2.65 0.00 0.00 178.83 177.48 1q0k h LYS 99 N 0.93 1.20 -0.51 1.69 3.64 -1.15 0.13 116.57 122.50 1q0k h LYS 99 Ca 0.17 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1q0k h LYS 99 Cb 0.54 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1q0k h LYS 99 CO 0.03 0.88 0.05 0.00 -2.27 0.00 0.00 179.45 178.14 1q0k h ALA 100 N 1.25 0.69 -0.32 5.00 0.00 -1.22 -2.03 119.26 122.62 1q0k h ALA 100 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1q0k h ALA 100 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1q0k h ALA 100 CO -0.05 0.45 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 1q0k h LEU 101 N 0.75 0.48 -0.20 0.00 3.38 -0.85 -0.94 115.31 117.93 1q0k h LEU 101 Ca 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1q0k h LEU 101 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1q0k h LEU 101 CO 0.02 0.57 0.01 0.44 0.09 0.00 0.00 178.44 179.57 1q0k h ASP 102 N 0.49 0.34 -0.57 -0.43 3.32 -0.66 -1.10 116.42 117.81 1q0k h ASP 102 Ca 0.10 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1q0k h ASP 102 Cb 0.37 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1q0k h ASP 102 CO 0.01 0.55 0.26 1.88 -1.72 0.00 0.00 179.24 180.23 1q0k h TYR 103 N 0.11 0.87 -0.57 4.55 0.05 -1.06 -2.46 116.97 118.46 1q0k h TYR 103 Ca 0.06 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 1q0k h TYR 103 Cb 0.37 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1q0k h TYR 103 CO 0.03 0.65 -0.04 0.82 -1.05 0.00 0.00 178.16 178.58 1q0k h ILE 104 N 0.86 1.26 -0.76 -2.88 2.04 -0.98 -1.84 117.51 115.22 1q0k h ILE 104 Ca 0.21 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1q0k h ILE 104 Cb 0.13 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1q0k h ILE 104 CO -0.02 0.42 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1q0k h ALA 105 N 1.03 1.36 -0.38 1.87 0.00 -0.76 0.24 119.26 122.62 1q0k h ALA 105 Ca 0.16 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1q0k h ALA 105 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1q0k h ALA 105 CO 0.03 0.55 -0.23 1.96 0.00 0.00 0.00 179.25 181.56 1q0k h GLN 106 N 1.05 0.83 -0.70 0.00 4.20 -1.17 -1.37 115.11 117.95 1q0k h GLN 106 Ca 0.27 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1q0k h GLN 106 Cb -0.03 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1q0k h GLN 106 CO -0.05 1.02 0.35 0.82 -0.67 0.00 0.00 178.83 180.29 1q0k h ILE 107 N 0.63 1.23 -0.41 2.54 2.04 -0.64 -2.27 117.51 120.63 1q0k h ILE 107 Ca 0.08 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1q0k h ILE 107 Cb 0.79 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1q0k h ILE 107 CO 0.06 0.26 0.10 -0.78 0.00 0.00 0.00 178.15 177.80 1q0k h ASP 108 N 0.97 0.55 -0.12 1.72 1.82 -0.34 0.26 116.42 121.28 1q0k h ASP 108 Ca 0.24 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1q0k h ASP 108 Cb 0.10 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1q0k h ASP 108 CO -0.03 0.56 0.02 0.50 -1.61 0.00 0.00 179.24 178.67 1q0k h LYS 109 N 0.59 0.20 -0.44 0.28 3.64 -0.75 -2.43 116.57 117.65 1q0k h LYS 109 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1q0k h LYS 109 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1q0k h LYS 109 CO -0.00 0.39 0.22 0.82 -2.27 0.00 0.00 179.45 178.61 1q0k h ILE 110 N -0.02 1.18 -0.12 2.00 2.04 -1.07 -2.74 117.51 118.77 1q0k h ILE 110 Ca 0.04 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1q0k h ILE 110 Cb 0.29 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1q0k h ILE 110 CO 0.00 0.19 -0.34 0.15 0.00 0.00 0.00 178.15 178.15 1q0k h PHE 111 N 0.57 -0.95 0.00 1.37 3.57 -0.83 -0.80 116.94 119.87 1q0k h PHE 111 Ca 0.15 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1q0k h PHE 111 Cb 0.11 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1q0k h PHE 111 CO -0.01 -0.42 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.12 1q0k h TRP 112 N -0.42 0.00 -0.17 0.41 4.06 -1.39 -1.64 115.95 116.80 1q0k h TRP 112 Ca 0.09 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.85 1q0k h TRP 112 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1q0k h TRP 112 CO -0.42 0.04 -0.66 0.93 -3.56 0.00 0.00 178.44 174.77 1q0k h GLU 113 N 0.00 0.67 0.00 0.49 5.08 -0.87 -2.51 114.58 117.44 1q0k h GLU 113 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1q0k h GLU 113 Cb 0.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1q0k h GLU 113 CO 0.00 1.11 0.00 1.79 -1.00 0.00 0.00 179.01 180.91 1q0k h THR 114 N 0.48 0.00 0.00 1.13 1.35 -0.37 -1.86 112.91 113.65 1q0k h THR 114 Ca -0.02 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1q0k h THR 114 Cb 1.25 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1q0k h THR 114 CO 0.13 0.00 -0.20 0.11 -0.25 0.00 0.00 175.52 175.31 1q0k h LYS 115 N 0.00 0.00 -0.30 4.72 1.79 -1.00 -3.17 116.57 118.61 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 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1q0k h LYS 115 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 1q0k n LYS 116 N -2.57 1.73 0.00 3.15 5.02 -0.70 -5.09 118.16 119.70 1q0k n LYS 116 Ca 0.04 -1.12 0.15 0.00 -2.02 0.00 0.00 58.31 55.35 1q0k n LYS 116 Cb 0.48 -1.26 0.63 0.00 -0.02 0.00 0.00 35.03 34.86 1q0k n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88