#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4z n ASP 3 N -0.26 -2.07 0.14 0.00 8.00 -1.26 -4.98 116.55 116.13 3g4z n ASP 3 Ca 0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 3g4z n ASP 3 Cb 0.33 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3g4z n ASP 3 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3g4z h LEU 4 N 0.00 -0.27 -9.89 0.64 5.85 -2.02 -3.46 115.31 106.16 3g4z h LEU 4 Ca 0.00 -0.09 -0.51 0.00 0.84 0.00 0.00 57.88 58.12 3g4z h LEU 4 Cb 0.00 0.07 0.05 0.00 0.37 0.00 0.00 40.66 41.15 3g4z h LEU 4 CO 0.00 -0.08 0.54 -2.16 -0.34 0.00 0.00 178.44 176.41 3g4z s PRO 5 N -5.56 4.29 0.10 5.25 0.04 -1.26 -5.11 135.00 132.74 3g4z s PRO 5 Ca -0.15 1.96 0.21 0.00 0.04 0.00 0.00 61.00 63.06 3g4z s PRO 5 Cb 0.04 -2.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.53 3g4z s PRO 5 CO 0.62 -0.16 0.82 0.00 0.04 0.00 0.00 177.00 178.33 3g4z n GLY 7 N 1.27 2.15 3.59 0.00 0.00 -1.26 -4.95 105.19 105.99 3g4z n GLY 7 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3g4z n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4z s VAL 8 N -3.37 4.88 0.01 1.61 0.11 -1.26 -4.83 120.40 117.54 3g4z s VAL 8 Ca 0.00 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 59.90 3g4z s VAL 8 Cb 0.00 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 3g4z s VAL 8 CO 0.00 -0.24 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.13 3g4z s PHE 9 N 2.75 0.38 -0.27 1.54 0.40 -1.26 -0.56 117.98 120.95 3g4z s PHE 9 Ca 0.27 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.23 3g4z s PHE 9 Cb -0.14 -0.24 0.11 0.00 0.51 0.00 0.00 43.02 43.26 3g4z s PHE 9 CO 0.13 -0.06 0.60 0.34 0.70 0.00 0.00 175.22 176.93 3g4z s ASP 10 N -0.74 -0.92 0.00 1.36 -1.08 -1.26 -5.01 116.67 109.02 3g4z s ASP 10 Ca -0.05 1.43 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 3g4z s ASP 10 Cb -0.05 1.94 0.00 0.00 -1.46 0.00 0.00 42.92 43.34 3g4z s ASP 10 CO -0.00 -0.22 0.78 -2.65 0.52 0.00 0.00 175.17 173.60 3g4z n PRO 11 N 5.24 0.00 0.27 4.34 -0.02 -1.26 -1.89 135.00 141.68 3g4z n PRO 11 Ca -0.13 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3g4z n PRO 11 Cb 0.51 -1.54 0.75 0.00 -0.02 0.00 0.00 33.50 33.19 3g4z n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4z h ALA 12 N 1.75 1.42 -0.07 3.55 0.00 -1.98 0.13 119.26 124.07 3g4z h ALA 12 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3g4z h ALA 12 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g4z h ALA 12 CO 0.00 0.11 -0.04 1.96 0.00 0.00 0.00 179.25 181.29 3g4z h GLN 13 N 0.00 0.15 -0.34 0.00 4.20 -1.81 -0.82 115.11 116.49 3g4z h GLN 13 Ca -0.00 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.66 3g4z h GLN 13 Cb 0.23 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3g4z h GLN 13 CO 0.01 0.53 0.17 0.00 -0.67 0.00 0.00 178.83 178.88 3g4z h ALA 14 N 0.62 0.42 -0.14 3.87 0.00 -1.63 -2.96 119.26 119.44 3g4z h ALA 14 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3g4z h ALA 14 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3g4z h ALA 14 CO 0.01 -0.20 -0.07 -0.09 0.00 0.00 0.00 179.25 178.91 3g4z h ARG 15 N 0.36 -0.05 -0.60 0.00 2.43 -0.83 -1.07 114.38 114.62 3g4z h ARG 15 Ca 0.14 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3g4z h ARG 15 Cb 0.04 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3g4z h ARG 15 CO -0.09 -0.03 0.17 0.82 -1.51 0.00 0.00 179.97 179.32 3g4z h ILE 16 N -0.05 1.23 -0.51 1.20 2.04 -1.15 0.44 117.51 120.70 3g4z h ILE 16 Ca 0.08 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 3g4z h ILE 16 Cb 0.17 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3g4z h ILE 16 CO -0.17 0.31 -0.07 -0.33 0.00 0.00 0.00 178.15 177.89 3g4z h GLU 17 N 0.88 0.95 -0.01 2.37 4.39 -1.34 -1.67 114.58 120.15 3g4z h GLU 17 Ca 0.19 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3g4z h GLU 17 Cb 0.28 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3g4z h GLU 17 CO -0.01 1.00 -0.54 0.00 -1.16 0.00 0.00 179.01 178.30 3g4z h ALA 18 N 0.92 1.09 -0.26 3.43 0.00 -0.55 -1.38 119.26 122.50 3g4z h ALA 18 Ca 0.14 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3g4z h ALA 18 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g4z h ALA 18 CO 0.04 0.68 -0.18 0.93 0.00 0.00 0.00 179.25 180.72 3g4z h GLU 19 N 0.02 0.47 -0.48 0.00 5.08 0.02 -1.70 114.58 117.99 3g4z h GLU 19 Ca -0.00 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3g4z h GLU 19 Cb 0.97 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3g4z h GLU 19 CO 0.07 0.64 -0.14 0.77 -1.00 0.00 0.00 179.01 179.35 3g4z h SER 20 N 0.43 0.89 -0.07 1.42 0.02 -0.64 -1.41 113.55 114.20 3g4z h SER 20 Ca 0.07 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3g4z h SER 20 Cb 0.57 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3g4z h SER 20 CO 0.04 1.03 -0.09 0.58 -1.14 0.00 0.00 176.83 177.25 3g4z h VAL 21 N 0.80 0.75 -0.94 2.27 2.07 -0.94 -0.57 116.25 119.69 3g4z h VAL 21 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3g4z h VAL 21 Cb 0.66 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3g4z h VAL 21 CO 0.05 0.00 0.55 0.50 0.02 0.00 0.00 177.57 178.69 3g4z h LYS 22 N -0.13 1.28 -0.47 1.57 3.64 -1.19 -1.60 116.57 119.67 3g4z h LYS 22 Ca 0.06 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3g4z h LYS 22 Cb 0.21 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3g4z h LYS 22 CO -0.14 0.90 -0.05 0.00 -2.27 0.00 0.00 179.45 177.89 3g4z h ALA 23 N 1.30 1.04 -0.32 5.00 0.00 -1.01 -0.65 119.26 124.62 3g4z h ALA 23 Ca 0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3g4z h ALA 23 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3g4z h ALA 23 CO -0.06 0.59 -0.11 0.28 0.00 0.00 0.00 179.25 179.95 3g4z h VAL 24 N 0.74 1.29 -0.24 0.00 2.07 -0.76 -0.98 116.25 118.36 3g4z h VAL 24 Ca 0.14 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3g4z h VAL 24 Cb 0.52 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3g4z h VAL 24 CO 0.03 0.38 -0.07 1.56 0.02 0.00 0.00 177.57 179.49 3g4z h GLN 25 N 0.40 -0.02 -0.42 1.57 4.20 -0.74 0.65 115.11 120.75 3g4z h GLN 25 Ca 0.08 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.86 3g4z h GLN 25 Cb 0.62 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 3g4z h GLN 25 CO 0.04 -0.01 0.02 0.93 -0.67 0.00 0.00 178.83 179.14 3g4z h GLU 26 N -0.02 0.13 -0.27 1.46 5.08 -0.97 -1.90 114.58 118.10 3g4z h GLU 26 Ca 0.12 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3g4z h GLU 26 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3g4z h GLU 26 CO -0.26 0.09 -0.10 0.87 -1.00 0.00 0.00 179.01 178.61 3g4z h LYS 27 N 0.14 0.44 0.00 2.33 1.57 -0.46 -2.71 116.57 117.87 3g4z h LYS 27 Ca 0.21 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3g4z h LYS 27 Cb 0.29 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3g4z h LYS 27 CO -0.33 0.54 -0.19 0.52 -0.57 0.00 0.00 179.45 179.42 3g4z h MET 28 N 0.41 0.00 0.00 3.15 2.86 -0.08 -1.80 114.93 119.46 3g4z h MET 28 Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3g4z h MET 28 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3g4z h MET 28 CO 0.02 0.19 -0.09 0.00 1.06 0.00 0.00 176.91 178.09 3g4z h ALA 29 N 1.81 1.08 0.00 6.32 0.00 -1.15 -3.30 119.26 124.02 3g4z h ALA 29 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3g4z h ALA 29 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3g4z h ALA 29 CO 0.02 0.12 -1.03 0.41 0.00 0.00 0.00 179.25 178.77 3g4z n GLY 30 N -0.26 -1.08 2.87 0.00 0.00 -0.68 -4.88 105.19 101.16 3g4z n GLY 30 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 3g4z n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g4z s ASN 31 N -3.34 0.76 0.00 1.61 3.84 -1.22 -5.03 114.94 111.56 3g4z s ASN 31 Ca 0.06 -0.45 0.31 0.00 0.21 0.00 0.00 52.86 53.00 3g4z s ASN 31 Cb 0.16 0.93 1.77 0.00 -0.55 0.00 0.00 41.25 43.55 3g4z s ASN 31 CO 0.83 -0.36 2.15 -0.90 -2.79 0.00 0.00 177.10 176.04 3g4z n ASP 32 N 5.34 0.19 -4.72 -4.21 5.68 -1.26 -4.61 116.55 112.96 3g4z n ASP 32 Ca -0.00 -1.00 -0.67 0.00 -0.50 0.00 0.00 54.79 52.61 3g4z n ASP 32 Cb 0.49 -0.02 -0.10 0.00 -1.14 0.00 0.00 41.12 40.35 3g4z n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3g4z n ASP 33 N -0.87 1.25 -0.25 -1.12 2.03 -1.26 -4.81 116.55 111.52 3g4z n ASP 33 Ca 0.23 1.16 0.06 0.00 0.52 0.00 0.00 54.79 56.75 3g4z n ASP 33 Cb 0.15 -0.90 0.30 0.00 -0.72 0.00 0.00 41.12 39.96 3g4z n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g4z h PRO 34 N 5.34 0.85 -0.06 -0.67 0.11 -1.99 0.16 132.00 135.76 3g4z h PRO 34 Ca -0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3g4z h PRO 34 Cb 1.37 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3g4z h PRO 34 CO 0.98 0.57 -0.00 1.25 -0.21 0.00 0.00 178.00 180.59 3g4z h HIS 35 N 0.88 0.11 -0.44 0.65 2.76 -1.99 0.56 115.15 117.68 3g4z h HIS 35 Ca 0.37 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.57 3g4z h HIS 35 Cb 0.30 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.18 3g4z h HIS 35 CO -0.00 0.39 0.18 0.35 -1.30 0.00 0.00 177.93 177.55 3g4z h PHE 36 N -0.20 0.32 -0.91 5.26 3.04 -1.80 -0.75 116.94 121.89 3g4z h PHE 36 Ca 0.02 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.06 3g4z h PHE 36 Cb 0.35 -0.08 -0.07 0.00 2.56 0.00 0.00 35.95 38.72 3g4z h PHE 36 CO 0.04 0.13 0.57 1.96 -2.02 0.00 0.00 178.31 178.99 3g4z h GLN 37 N 0.36 0.98 -0.41 1.11 1.08 -0.40 0.13 115.11 117.96 3g4z h GLN 37 Ca 0.20 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 3g4z h GLN 37 Cb 0.18 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 3g4z h GLN 37 CO -0.19 0.65 0.03 1.15 -0.95 0.00 0.00 178.83 179.52 3g4z h THR 38 N 1.01 1.25 -0.15 -0.54 2.02 -0.41 -0.21 112.91 115.88 3g4z h THR 38 Ca 0.41 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3g4z h THR 38 Cb 0.23 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3g4z h THR 38 CO -0.19 0.33 -0.36 0.03 0.37 0.00 0.00 175.52 175.69 3g4z h ARG 39 N 0.54 0.32 -0.54 6.66 3.08 -0.69 -0.76 114.38 122.99 3g4z h ARG 39 Ca 0.12 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3g4z h ARG 39 Cb 0.43 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3g4z h ARG 39 CO 0.02 0.65 -0.09 0.00 -1.07 0.00 0.00 179.97 179.47 3g4z h ALA 40 N 1.35 0.74 0.11 0.04 0.00 -0.67 -1.69 119.26 119.14 3g4z h ALA 40 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3g4z h ALA 40 Cb 0.77 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3g4z h ALA 40 CO 0.06 0.65 -0.05 1.15 0.00 0.00 0.00 179.25 181.06 3g4z h THR 41 N 0.90 0.93 -0.37 0.00 2.02 -0.56 0.15 112.91 115.98 3g4z h THR 41 Ca 0.14 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3g4z h THR 41 Cb 0.66 1.03 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 3g4z h THR 41 CO 0.05 0.04 -0.42 0.58 0.37 0.00 0.00 175.52 176.13 3g4z h VAL 42 N -0.21 0.12 -0.41 3.16 2.07 -1.08 -0.96 116.25 118.95 3g4z h VAL 42 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3g4z h VAL 42 Cb 0.17 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3g4z h VAL 42 CO 0.02 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.14 3g4z h ILE 43 N -0.34 1.21 -0.96 4.57 2.04 -1.12 -2.50 117.51 120.41 3g4z h ILE 43 Ca 0.13 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3g4z h ILE 43 Cb 0.59 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3g4z h ILE 43 CO -0.55 0.25 0.63 0.50 0.00 0.00 0.00 178.15 178.98 3g4z h LYS 44 N 0.51 1.22 -0.78 2.37 3.64 -0.48 -1.07 116.57 121.98 3g4z h LYS 44 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3g4z h LYS 44 Cb 0.25 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3g4z h LYS 44 CO -0.00 0.81 0.41 1.49 -2.27 0.00 0.00 179.45 179.89 3g4z h GLU 45 N 1.26 1.10 -0.05 1.90 4.57 -0.91 -1.22 114.58 121.23 3g4z h GLU 45 Ca 0.36 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3g4z h GLU 45 Cb -0.08 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.29 3g4z h GLU 45 CO -0.10 0.83 -0.04 1.96 -1.18 0.00 0.00 179.01 180.48 3g4z h GLN 46 N 1.09 0.12 -0.64 1.92 4.20 -0.99 -2.54 115.11 118.27 3g4z h GLN 46 Ca 0.27 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 3g4z h GLN 46 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3g4z h GLN 46 CO -0.04 0.55 0.15 0.00 -0.67 0.00 0.00 178.83 178.82 3g4z h ARG 47 N -0.31 1.03 -0.53 1.46 2.47 -1.14 -1.28 114.38 116.09 3g4z h ARG 47 Ca 0.01 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 3g4z h ARG 47 Cb 0.52 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3g4z h ARG 47 CO 0.01 0.93 0.28 0.00 0.56 0.00 0.00 179.97 181.76 3g4z h ALA 48 N 1.06 0.68 -0.92 0.04 0.00 -1.25 -0.25 119.26 118.62 3g4z h ALA 48 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g4z h ALA 48 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3g4z h ALA 48 CO 0.00 0.21 0.58 1.49 0.00 0.00 0.00 179.25 181.53 3g4z h GLU 49 N 0.71 1.22 -0.49 0.00 4.57 -1.25 -0.82 114.58 118.52 3g4z h GLU 49 Ca 0.19 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 3g4z h GLU 49 Cb 0.06 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3g4z h GLU 49 CO -0.03 0.83 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.38 3g4z h LEU 50 N 1.25 0.98 -0.72 1.64 3.38 -0.89 -1.28 115.31 119.67 3g4z h LEU 50 Ca 0.33 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g4z h LEU 50 Cb -0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 3g4z h LEU 50 CO -0.07 1.13 0.46 0.00 0.09 0.00 0.00 178.44 180.06 3g4z h ALA 51 N 0.94 0.93 -0.62 1.53 0.00 -0.59 -0.85 119.26 120.60 3g4z h ALA 51 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g4z h ALA 51 Cb 0.74 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3g4z h ALA 51 CO 0.06 0.28 0.41 0.87 0.00 0.00 0.00 179.25 180.87 3g4z h LYS 52 N 0.93 0.82 -0.39 0.00 1.57 -0.97 -0.92 116.57 117.60 3g4z h LYS 52 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3g4z h LYS 52 Cb -0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3g4z h LYS 52 CO -0.09 0.54 0.26 1.25 -0.57 0.00 0.00 179.45 180.84 3g4z h HIS 53 N 0.84 0.50 -0.50 -1.35 2.76 -0.81 0.12 115.15 116.71 3g4z h HIS 53 Ca 0.23 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3g4z h HIS 53 Cb -0.10 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 3g4z h HIS 53 CO -0.03 0.32 0.28 0.45 -1.30 0.00 0.00 177.93 177.66 3g4z h HIS 54 N 0.53 0.67 -0.38 5.26 3.86 -0.76 0.53 115.15 124.86 3g4z h HIS 54 Ca 0.14 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3g4z h HIS 54 Cb -0.05 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3g4z h HIS 54 CO -0.05 0.49 0.14 0.28 0.86 0.00 0.00 177.93 179.65 3g4z h VAL 55 N 0.66 1.20 -0.78 2.45 2.07 -0.78 -1.91 116.25 119.16 3g4z h VAL 55 Ca 0.18 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3g4z h VAL 55 Cb 0.03 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3g4z h VAL 55 CO -0.03 0.22 0.51 -1.28 0.02 0.00 0.00 177.57 177.02 3g4z h SER 56 N 0.47 0.89 -0.59 0.57 0.87 -0.52 -2.24 113.55 113.00 3g4z h SER 56 Ca 0.13 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3g4z h SER 56 Cb 0.21 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3g4z h SER 56 CO -0.01 0.64 0.38 0.58 -0.53 0.00 0.00 176.83 177.89 3g4z h VAL 57 N 1.05 1.12 -0.68 2.23 2.07 -0.62 -0.17 116.25 121.25 3g4z h VAL 57 Ca 0.29 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3g4z h VAL 57 Cb -0.12 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 3g4z h VAL 57 CO -0.06 0.14 0.38 -0.07 0.02 0.00 0.00 177.57 177.97 3g4z h LEU 58 N 0.76 0.56 -0.27 2.57 3.38 -1.01 1.00 115.31 122.30 3g4z h LEU 58 Ca 0.23 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3g4z h LEU 58 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3g4z h LEU 58 CO -0.07 0.36 -0.05 -0.25 0.09 0.00 0.00 178.44 178.52 3g4z h TRP 59 N 0.69 0.57 0.15 1.13 7.01 -0.81 0.33 115.95 125.02 3g4z h TRP 59 Ca 0.30 -0.12 -0.32 0.00 2.11 0.00 0.00 58.89 60.86 3g4z h TRP 59 Cb 0.19 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3g4z h TRP 59 CO -0.08 0.71 -1.61 0.66 -2.79 0.00 0.00 178.44 175.33 3g4z h SER 60 N 0.27 0.50 0.00 2.65 4.64 -0.99 -3.37 113.55 117.25 3g4z h SER 60 Ca 0.07 -0.71 -0.28 0.00 -0.47 0.00 0.00 61.79 60.41 3g4z h SER 60 Cb 0.52 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3g4z h SER 60 CO 0.02 1.59 -2.20 0.47 -0.87 0.00 0.00 176.83 175.84 3g4z n ASP 61 N -3.52 0.48 -0.10 4.97 10.43 0.34 -4.71 116.55 124.44 3g4z n ASP 61 Ca -0.19 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.02 3g4z n ASP 61 Cb 1.06 1.11 -0.05 0.00 1.84 0.00 0.00 41.12 45.09 3g4z n ASP 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g4z n TYR 62 N -2.60 0.04 -1.84 1.24 9.36 -0.65 -4.97 117.16 117.74 3g4z n TYR 62 Ca -0.25 0.02 -0.41 0.00 3.32 0.00 0.00 57.90 60.57 3g4z n TYR 62 Cb 1.00 -0.64 -0.02 0.00 -0.63 0.00 0.00 39.34 39.06 3g4z n TYR 62 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3g4z s PHE 63 N -2.79 2.82 0.40 2.98 0.40 0.01 -5.02 117.98 116.78 3g4z s PHE 63 Ca -0.31 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 3g4z s PHE 63 Cb 0.07 -4.00 -0.07 0.00 0.51 0.00 0.00 43.02 39.53 3g4z s PHE 63 CO 0.44 -3.33 0.02 0.15 0.70 0.00 0.00 175.22 173.20 3g4z s LYS 64 N -0.49 1.98 0.42 0.44 -0.14 -1.26 -4.76 119.74 115.92 3g4z s LYS 64 Ca 0.62 -2.02 0.16 0.00 -1.36 0.00 0.00 55.97 53.37 3g4z s LYS 64 Cb -0.46 -1.71 1.05 0.00 -1.68 0.00 0.00 37.83 35.03 3g4z s LYS 64 CO 0.47 -0.02 1.89 -1.35 -0.76 0.00 0.00 175.35 175.58 3g4z h PRO 65 N 1.77 0.41 -0.37 -1.68 0.11 -1.99 0.21 132.00 130.46 3g4z h PRO 65 Ca -0.43 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3g4z h PRO 65 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3g4z h PRO 65 CO 0.77 0.27 0.03 -1.35 -0.21 0.00 0.00 178.00 177.51 3g4z h PRO 66 N 0.43 0.57 -0.61 1.05 0.11 -2.00 -1.41 132.00 130.15 3g4z h PRO 66 Ca 0.42 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 3g4z h PRO 66 Cb 1.00 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3g4z h PRO 66 CO -0.15 0.58 0.04 0.45 -0.21 0.00 0.00 178.00 178.71 3g4z h HIS 67 N 0.55 1.11 -0.03 0.65 3.86 -1.01 -1.88 115.15 118.41 3g4z h HIS 67 Ca 0.12 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 3g4z h HIS 67 Cb 0.31 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3g4z h HIS 67 CO 0.01 0.97 -0.46 0.74 0.86 0.00 0.00 177.93 180.05 3g4z h PHE 68 N 0.96 0.09 -0.09 2.45 0.05 -0.64 0.22 116.94 119.98 3g4z h PHE 68 Ca 0.18 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.92 3g4z h PHE 68 Cb 0.50 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.42 3g4z h PHE 68 CO 0.03 0.52 -0.05 1.49 -0.18 0.00 0.00 178.31 180.12 3g4z h GLU 69 N 0.06 0.19 -0.49 1.51 4.81 -1.16 -2.96 114.58 116.55 3g4z h GLU 69 Ca 0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3g4z h GLU 69 Cb 0.83 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3g4z h GLU 69 CO 0.06 0.57 0.10 -0.22 -0.73 0.00 0.00 179.01 178.80 3g4z h LYS 70 N -0.19 0.75 -3.09 1.92 3.64 -1.20 -3.35 116.57 115.04 3g4z h LYS 70 Ca 0.02 -0.15 -0.62 0.00 -1.27 0.00 0.00 60.65 58.63 3g4z h LYS 70 Cb 0.52 -0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 31.81 3g4z h LYS 70 CO 0.02 0.69 -0.62 0.71 -2.27 0.00 0.00 179.45 177.98 3g4z s TYR 71 N -5.16 3.27 -0.30 1.91 1.51 0.05 -4.96 117.35 113.67 3g4z s TYR 71 Ca -0.09 -3.21 0.23 0.00 -1.01 0.00 0.00 57.07 52.99 3g4z s TYR 71 Cb 0.16 -2.58 1.11 0.00 -0.11 0.00 0.00 41.96 40.54 3g4z s TYR 71 CO 0.79 -0.61 1.69 -2.30 -1.11 0.00 0.00 175.55 174.01 3g4z n PRO 72 N 2.31 0.16 0.00 -1.71 -0.02 -1.12 -1.60 135.00 133.02 3g4z n PRO 72 Ca 0.17 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3g4z n PRO 72 Cb 0.35 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.03 3g4z n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3g4z n GLU 73 N -2.26 1.48 -0.08 -0.52 0.00 -1.26 -4.45 120.64 113.54 3g4z n GLU 73 Ca -0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 57.16 55.89 3g4z n GLU 73 Cb 0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 30.03 3g4z n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3g4z h LEU 74 N 2.82 0.40 -0.31 -1.84 5.85 -1.64 0.12 115.31 120.71 3g4z h LEU 74 Ca 0.00 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3g4z h LEU 74 Cb 0.76 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 3g4z h LEU 74 CO 0.00 0.60 -0.29 0.45 -0.34 0.00 0.00 178.44 178.86 3g4z h HIS 75 N 0.19 -0.79 -0.55 1.25 3.86 -1.79 0.98 115.15 118.30 3g4z h HIS 75 Ca 0.07 0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3g4z h HIS 75 Cb 0.39 0.40 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 3g4z h HIS 75 CO 0.03 -0.36 -0.04 0.37 0.86 0.00 0.00 177.93 178.79 3g4z h GLN 76 N -0.27 0.98 -0.37 2.45 5.75 -1.81 -1.32 115.11 120.52 3g4z h GLN 76 Ca 0.15 -0.32 0.07 0.00 -0.15 0.00 0.00 58.65 58.41 3g4z h GLN 76 Cb 0.51 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 3g4z h GLN 76 CO -0.46 0.98 -0.03 1.25 -2.65 0.00 0.00 178.83 177.92 3g4z h LEU 77 N 0.89 -0.21 -0.24 -2.39 5.85 -0.35 0.19 115.31 119.05 3g4z h LEU 77 Ca 0.15 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3g4z h LEU 77 Cb 0.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3g4z h LEU 77 CO 0.03 -0.06 0.12 0.58 -0.34 0.00 0.00 178.44 178.77 3g4z h VAL 78 N 0.07 1.14 -0.39 1.05 2.07 -0.50 0.76 116.25 120.44 3g4z h VAL 78 Ca 0.18 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3g4z h VAL 78 Cb 0.26 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3g4z h VAL 78 CO -0.32 0.14 0.13 -1.13 0.02 0.00 0.00 177.57 176.41 3g4z h ASN 79 N 0.26 0.14 -0.78 0.57 -0.73 -0.86 -0.78 115.58 113.41 3g4z h ASN 79 Ca 0.08 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.26 3g4z h ASN 79 Cb 0.12 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 3g4z h ASN 79 CO -0.01 0.11 0.33 0.44 -0.37 0.00 0.00 177.43 177.93 3g4z h ASP 80 N 0.29 1.06 -0.37 1.15 3.32 -0.43 -1.25 116.42 120.19 3g4z h ASP 80 Ca 0.18 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.13 3g4z h ASP 80 Cb 0.17 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3g4z h ASP 80 CO -0.19 0.93 0.07 0.74 -1.72 0.00 0.00 179.24 179.07 3g4z h THR 81 N 1.12 0.80 -0.44 0.35 2.02 -0.26 0.24 112.91 116.74 3g4z h THR 81 Ca 0.26 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3g4z h THR 81 Cb 0.19 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3g4z h THR 81 CO -0.02 0.03 0.19 -0.07 0.37 0.00 0.00 175.52 176.02 3g4z h LEU 82 N 0.19 0.60 -0.88 2.58 3.38 -0.82 0.42 115.31 120.77 3g4z h LEU 82 Ca 0.18 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3g4z h LEU 82 Cb 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3g4z h LEU 82 CO -0.24 0.59 0.58 0.11 0.09 0.00 0.00 178.44 179.56 3g4z h LYS 83 N 0.57 1.12 -0.82 1.13 1.57 -1.04 -1.50 116.57 117.60 3g4z h LYS 83 Ca 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3g4z h LYS 83 Cb 0.17 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3g4z h LYS 83 CO -0.01 0.74 0.47 0.00 -0.57 0.00 0.00 179.45 180.08 3g4z h ALA 84 N 1.34 1.05 -0.66 3.86 0.00 -0.04 0.24 119.26 125.05 3g4z h ALA 84 Ca 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3g4z h ALA 84 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3g4z h ALA 84 CO -0.09 0.53 0.26 -0.07 0.00 0.00 0.00 179.25 179.88 3g4z h LEU 85 N 1.13 0.89 -0.43 0.00 3.38 -0.55 0.10 115.31 119.84 3g4z h LEU 85 Ca 0.29 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3g4z h LEU 85 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3g4z h LEU 85 CO -0.05 0.80 -0.52 0.28 0.09 0.00 0.00 178.44 179.04 3g4z h SER 86 N 0.95 0.80 -0.73 -0.43 0.02 -0.89 -0.35 113.55 112.92 3g4z h SER 86 Ca 0.22 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3g4z h SER 86 Cb 0.19 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3g4z h SER 86 CO -0.02 1.17 0.44 0.00 -1.14 0.00 0.00 176.83 177.28 3g4z h ALA 87 N 0.85 0.93 -0.54 3.77 0.00 -0.09 -2.16 119.26 122.02 3g4z h ALA 87 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3g4z h ALA 87 Cb 1.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3g4z h ALA 87 CO 0.11 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.87 3g4z h ALA 88 N 1.23 0.72 -0.63 0.00 0.00 -0.54 -2.41 119.26 117.62 3g4z h ALA 88 Ca 0.26 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3g4z h ALA 88 Cb -0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 3g4z h ALA 88 CO -0.05 0.44 0.18 -0.22 0.00 0.00 0.00 179.25 179.59 3g4z h LYS 89 N 0.77 0.31 0.00 0.00 3.64 -0.90 -1.22 116.57 119.18 3g4z h LYS 89 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3g4z h LYS 89 Cb 0.37 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3g4z h LYS 89 CO 0.01 0.20 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 3g4z n GLY 90 N -1.31 -0.96 3.19 5.01 0.00 -0.83 -4.81 105.19 105.47 3g4z n GLY 90 Ca 0.10 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3g4z n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4z s SER 91 N -1.61 1.77 0.00 1.61 0.15 -0.46 -5.03 113.70 110.13 3g4z s SER 91 Ca 0.28 -0.66 0.24 0.00 0.70 0.00 0.00 55.95 56.51 3g4z s SER 91 Cb 0.13 -0.06 0.34 0.00 -1.71 0.00 0.00 66.02 64.73 3g4z s SER 91 CO 0.21 -0.09 1.31 0.29 1.20 0.00 0.00 173.24 176.17 3g4z n LYS 92 N 1.13 1.23 -2.63 5.44 5.02 -1.26 -4.90 118.16 122.18 3g4z n LYS 92 Ca -0.20 -0.92 -0.43 0.00 -2.02 0.00 0.00 58.31 54.74 3g4z n LYS 92 Cb 0.55 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3g4z n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g4z s ASP 93 N -2.40 6.94 0.65 4.39 -1.08 -1.26 -4.60 116.67 119.30 3g4z s ASP 93 Ca 0.23 1.09 0.42 0.00 -0.52 0.00 0.00 52.55 53.76 3g4z s ASP 93 Cb 0.19 -2.54 2.28 0.00 -1.46 0.00 0.00 42.92 41.39 3g4z s ASP 93 CO 0.51 -0.87 2.34 1.55 0.52 0.00 0.00 175.17 179.22 3g4z h PRO 94 N 8.07 0.00 0.00 4.34 0.13 -1.87 -0.45 132.00 142.21 3g4z h PRO 94 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3g4z h PRO 94 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3g4z h PRO 94 CO 1.03 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.61 3g4z h ALA 95 N 2.00 1.47 -0.35 -0.56 0.00 -1.96 0.14 119.26 120.01 3g4z h ALA 95 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3g4z h ALA 95 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g4z h ALA 95 CO 0.00 0.24 -0.29 1.79 0.00 0.00 0.00 179.25 180.99 3g4z h THR 96 N 0.00 1.29 -0.57 0.00 1.35 -1.48 -0.67 112.91 112.83 3g4z h THR 96 Ca -0.00 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 3g4z h THR 96 Cb 0.39 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3g4z h THR 96 CO 0.03 0.48 0.31 1.23 -0.25 0.00 0.00 175.52 177.31 3g4z h GLY 97 N 0.60 0.85 1.37 5.82 0.00 -1.37 -2.40 103.07 107.94 3g4z h GLY 97 Ca 0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3g4z h GLY 97 CO 0.08 0.37 0.38 -1.61 0.00 0.00 0.00 176.54 175.76 3g4z h GLN 98 N 0.76 0.84 -0.45 4.80 5.75 -0.70 0.89 115.11 127.01 3g4z h GLN 98 Ca 0.20 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 3g4z h GLN 98 Cb 0.06 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3g4z h GLN 98 CO -0.03 0.59 0.04 -0.22 -2.65 0.00 0.00 178.83 176.55 3g4z h LYS 99 N 0.86 0.77 -0.63 1.69 3.64 -0.79 0.16 116.57 122.28 3g4z h LYS 99 Ca 0.23 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3g4z h LYS 99 Cb -0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3g4z h LYS 99 CO -0.04 0.81 0.15 0.00 -2.27 0.00 0.00 179.45 178.10 3g4z h ALA 100 N 0.93 1.08 -0.73 5.00 0.00 -1.06 -1.13 119.26 123.36 3g4z h ALA 100 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g4z h ALA 100 Cb 0.44 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3g4z h ALA 100 CO 0.02 0.61 0.48 -0.07 0.00 0.00 0.00 179.25 180.29 3g4z h LEU 101 N 0.94 0.82 -0.25 0.00 3.38 -0.43 -0.71 115.31 119.06 3g4z h LEU 101 Ca 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3g4z h LEU 101 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3g4z h LEU 101 CO 0.00 0.59 0.12 0.44 0.09 0.00 0.00 178.44 179.68 3g4z h ASP 102 N 0.97 0.33 -0.25 -0.43 3.45 0.25 -0.90 116.42 119.84 3g4z h ASP 102 Ca 0.27 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 3g4z h ASP 102 Cb -0.09 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3g4z h ASP 102 CO -0.06 0.36 0.12 1.88 -1.57 0.00 0.00 179.24 179.97 3g4z h TYR 103 N 0.27 0.35 -0.85 4.55 0.99 -0.94 -1.92 116.97 119.42 3g4z h TYR 103 Ca 0.09 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.88 3g4z h TYR 103 Cb 0.12 -0.11 -0.06 0.00 1.00 0.00 0.00 36.73 37.68 3g4z h TYR 103 CO -0.02 0.33 0.55 0.82 -0.00 0.00 0.00 178.16 179.83 3g4z h ILE 104 N 0.27 1.00 -0.65 -2.88 2.04 -1.06 -1.25 117.51 114.99 3g4z h ILE 104 Ca 0.08 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3g4z h ILE 104 Cb 0.10 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3g4z h ILE 104 CO -0.01 0.16 0.28 0.00 0.00 0.00 0.00 178.15 178.58 3g4z h ALA 105 N 1.56 1.27 -0.39 1.87 0.00 -0.75 0.29 119.26 123.12 3g4z h ALA 105 Ca 0.38 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3g4z h ALA 105 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3g4z h ALA 105 CO -0.15 0.55 0.00 1.96 0.00 0.00 0.00 179.25 181.61 3g4z h GLN 106 N 0.93 0.68 -0.69 0.00 4.20 -0.49 -1.24 115.11 118.50 3g4z h GLN 106 Ca 0.22 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3g4z h GLN 106 Cb 0.15 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3g4z h GLN 106 CO -0.02 0.78 0.45 0.82 -0.67 0.00 0.00 178.83 180.18 3g4z h ILE 107 N 0.51 1.15 -0.69 2.54 2.04 -0.79 -2.53 117.51 119.74 3g4z h ILE 107 Ca 0.11 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3g4z h ILE 107 Cb 0.46 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3g4z h ILE 107 CO 0.02 0.17 0.33 -0.78 0.00 0.00 0.00 178.15 177.89 3g4z h ASP 108 N 0.91 0.90 -0.13 1.72 3.58 -0.24 0.25 116.42 123.40 3g4z h ASP 108 Ca 0.26 -0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.62 3g4z h ASP 108 Cb -0.06 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.72 3g4z h ASP 108 CO -0.07 0.78 -0.11 0.50 -2.88 0.00 0.00 179.24 177.46 3g4z h LYS 109 N 0.96 -0.12 -0.45 0.28 3.64 -1.01 -0.96 116.57 118.91 3g4z h LYS 109 Ca 0.24 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3g4z h LYS 109 Cb 0.12 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3g4z h LYS 109 CO -0.03 -0.08 0.26 0.82 -2.27 0.00 0.00 179.45 178.15 3g4z h ILE 110 N -0.12 1.15 -0.22 2.00 2.04 -1.03 -1.89 117.51 119.44 3g4z h ILE 110 Ca 0.09 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3g4z h ILE 110 Cb 0.25 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3g4z h ILE 110 CO -0.21 0.16 -0.18 0.15 0.00 0.00 0.00 178.15 178.07 3g4z h PHE 111 N 0.59 -0.45 0.00 1.37 3.57 -0.05 -1.44 116.94 120.54 3g4z h PHE 111 Ca 0.16 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3g4z h PHE 111 Cb 0.03 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3g4z h PHE 111 CO -0.03 -0.25 -0.43 -1.49 -2.23 0.00 0.00 178.31 173.88 3g4z h TRP 112 N -0.18 0.00 -0.74 0.41 4.06 -1.07 -1.88 115.95 116.56 3g4z h TRP 112 Ca 0.13 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.12 3g4z h TRP 112 Cb 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 3g4z h TRP 112 CO -0.33 0.43 0.45 0.93 -3.56 0.00 0.00 178.44 176.36 3g4z h GLU 113 N 0.00 0.83 0.00 0.49 5.08 -0.75 -2.22 114.58 118.00 3g4z h GLU 113 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g4z h GLU 113 Cb 0.87 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3g4z h GLU 113 CO 0.06 0.55 0.00 1.79 -1.00 0.00 0.00 179.01 180.40 3g4z h THR 114 N 0.85 0.00 0.00 1.13 1.35 -0.48 -2.33 112.91 113.44 3g4z h THR 114 Ca 0.31 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3g4z h THR 114 Cb 0.10 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3g4z h THR 114 CO -0.14 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 175.12 3g4z h LYS 115 N 0.00 0.00 0.00 4.72 1.79 -1.00 -3.21 116.57 118.87 3g4z h LYS 115 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 3g4z h LYS 115 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3g4z h LYS 115 CO 0.00 0.05 -0.92 0.87 -1.08 0.00 0.00 179.45 178.36 3g4z h LYS 116 N 0.00 0.00 0.00 3.15 1.57 -1.05 -3.51 116.57 116.73 3g4z h LYS 116 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4z h LYS 116 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3g4z h LYS 116 CO 0.01 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.41