#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 -1.88 -1.78 0.12 0.00 -0.08 -1.26 -5.00 116.55 106.67 3g4z n ASP 3 Ca 0.01 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.16 3g4z n ASP 3 Cb 0.43 -0.30 -0.06 0.00 2.34 0.00 0.00 41.12 43.54 3g4z n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3g4z h LEU 4 N 0.00 -0.70-10.02 -2.67 5.85 -2.01 -3.46 115.31 102.30 3g4z h LEU 4 Ca 0.00 0.08 -0.45 0.00 0.84 0.00 0.00 57.88 58.35 3g4z h LEU 4 Cb 0.00 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3g4z h LEU 4 CO 0.00 -0.34 0.35 -2.16 -0.34 0.00 0.00 178.44 175.94 3g4z s PRO 5 N -6.07 4.28 -0.03 5.25 0.05 -1.26 -5.13 135.00 132.09 3g4z s PRO 5 Ca -0.16 1.19 0.19 0.00 0.05 0.00 0.00 61.00 62.28 3g4z s PRO 5 Cb 0.08 -2.32 -0.30 0.00 0.05 0.00 0.00 34.50 32.01 3g4z s PRO 5 CO 0.65 0.01 0.41 0.00 0.05 0.00 0.00 177.00 178.13 3g4z n GLY 7 N 1.42 0.80 3.32 0.00 0.00 -1.26 -5.00 105.19 104.46 3g4z n GLY 7 Ca -0.05 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3g4z n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4z s VAL 8 N -2.08 4.11 0.06 1.61 1.01 -1.26 -4.96 120.40 118.89 3g4z s VAL 8 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3g4z s VAL 8 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3g4z s VAL 8 CO 0.00 -0.20 -0.10 -0.36 0.00 0.00 0.00 175.10 174.44 3g4z s PHE 9 N 1.47 0.89 -0.29 5.22 0.40 -1.26 -1.50 117.98 122.91 3g4z s PHE 9 Ca -0.00 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 3g4z s PHE 9 Cb -0.19 -0.51 0.14 0.00 0.51 0.00 0.00 43.02 42.96 3g4z s PHE 9 CO 0.04 -0.04 0.84 0.34 0.70 0.00 0.00 175.22 177.11 3g4z s ASP 10 N -1.88 -0.78 0.17 1.36 -1.08 -1.26 -5.02 116.67 108.17 3g4z s ASP 10 Ca -0.04 1.13 0.14 0.00 -0.52 0.00 0.00 52.55 53.27 3g4z s ASP 10 Cb -0.08 1.71 0.70 0.00 -1.46 0.00 0.00 42.92 43.79 3g4z s ASP 10 CO 0.00 -0.16 1.44 -2.65 0.52 0.00 0.00 175.17 174.32 3g4z n PRO 11 N 4.75 0.09 -0.32 4.34 -0.02 -1.26 -1.97 135.00 140.61 3g4z n PRO 11 Ca -0.14 0.51 0.29 0.00 -2.02 0.00 0.00 63.50 62.14 3g4z n PRO 11 Cb 0.54 -1.74 0.63 0.00 -0.02 0.00 0.00 33.50 32.90 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 2.11 2.66 0.11 3.55 0.00 -1.98 0.08 119.26 125.79 3g4z h ALA 12 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g4z h ALA 12 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3g4z h ALA 12 CO 0.00 -1.03 -0.05 1.96 0.00 0.00 0.00 179.25 180.13 3g4z h GLN 13 N 0.20 -0.14 -0.28 0.00 4.20 -1.83 0.74 115.11 118.00 3g4z h GLN 13 Ca 0.58 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.32 3g4z h GLN 13 Cb 1.86 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.65 3g4z h GLN 13 CO -0.16 0.07 0.13 0.00 -0.67 0.00 0.00 178.83 178.21 3g4z h ALA 14 N 0.54 0.33 -0.25 3.87 0.00 -1.58 -2.82 119.26 119.35 3g4z h ALA 14 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g4z h ALA 14 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3g4z h ALA 14 CO 0.02 -0.26 0.12 -0.09 0.00 0.00 0.00 179.25 179.05 3g4z h ARG 15 N 0.28 0.26 -0.94 0.00 2.43 -0.85 -0.16 114.38 115.41 3g4z h ARG 15 Ca 0.12 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3g4z h ARG 15 Cb 0.04 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3g4z h ARG 15 CO -0.08 0.17 0.61 0.97 -1.51 0.00 0.00 179.97 180.13 3g4z h ILE 16 N 0.26 1.16 -0.43 1.20 2.10 -0.80 0.61 117.51 121.62 3g4z h ILE 16 Ca 0.10 -0.40 -0.14 0.00 1.08 0.00 0.00 64.86 65.49 3g4z h ILE 16 Cb 0.02 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 35.62 3g4z h ILE 16 CO -0.07 0.22 -0.30 -0.33 -1.08 0.00 0.00 178.15 176.59 3g4z h GLU 17 N 1.18 0.94 -0.24 2.19 4.39 -1.21 -1.85 114.58 119.98 3g4z h GLU 17 Ca 0.37 -0.45 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 3g4z h GLU 17 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3g4z h GLU 17 CO -0.11 1.11 -0.23 0.00 -1.16 0.00 0.00 179.01 178.62 3g4z h ALA 18 N 0.85 1.15 -0.99 3.43 0.00 -0.74 -1.81 119.26 121.15 3g4z h ALA 18 Ca 0.09 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3g4z h ALA 18 Cb 0.88 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3g4z h ALA 18 CO 0.08 0.54 0.64 0.93 0.00 0.00 0.00 179.25 181.44 3g4z h GLU 19 N 0.41 1.31 -0.67 0.00 5.08 -0.68 -1.76 114.58 118.26 3g4z h GLU 19 Ca 0.06 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3g4z h GLU 19 Cb 0.63 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3g4z h GLU 19 CO 0.04 0.88 0.22 0.77 -1.00 0.00 0.00 179.01 179.92 3g4z h SER 20 N 1.34 0.94 0.26 1.42 0.02 -0.82 0.93 113.55 117.65 3g4z h SER 20 Ca 0.36 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3g4z h SER 20 Cb -0.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.16 3g4z h SER 20 CO -0.08 0.87 -0.12 0.58 -1.14 0.00 0.00 176.83 176.95 3g4z h VAL 21 N 0.99 0.75 -0.74 2.27 2.07 -0.87 0.17 116.25 120.88 3g4z h VAL 21 Ca 0.22 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 3g4z h VAL 21 Cb 0.26 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3g4z h VAL 21 CO -0.01 0.00 0.34 0.50 0.02 0.00 0.00 177.57 178.42 3g4z h LYS 22 N -0.35 1.08 -0.75 1.57 3.64 -1.05 -1.48 116.57 119.23 3g4z h LYS 22 Ca -0.04 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3g4z h LYS 22 Cb 0.27 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3g4z h LYS 22 CO 0.06 0.85 0.47 0.00 -2.27 0.00 0.00 179.45 178.57 3g4z h ALA 23 N 1.17 0.98 -0.58 5.00 0.00 -0.64 -0.83 119.26 124.36 3g4z h ALA 23 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3g4z h ALA 23 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3g4z h ALA 23 CO -0.03 0.27 0.12 0.28 0.00 0.00 0.00 179.25 179.90 3g4z h VAL 24 N 0.93 1.25 -0.17 0.00 2.07 -0.49 -1.70 116.25 118.14 3g4z h VAL 24 Ca 0.30 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3g4z h VAL 24 Cb 0.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3g4z h VAL 24 CO -0.11 0.34 0.02 1.56 0.02 0.00 0.00 177.57 179.40 3g4z h GLN 25 N 0.84 0.08 -0.99 1.57 4.20 -0.95 -1.35 115.11 118.51 3g4z h GLN 25 Ca 0.18 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.06 3g4z h GLN 25 Cb 0.37 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.04 3g4z h GLN 25 CO 0.01 0.05 0.62 0.93 -0.67 0.00 0.00 178.83 179.76 3g4z h GLU 26 N 0.08 0.75 -0.14 1.46 5.08 -0.95 -2.54 114.58 118.32 3g4z h GLU 26 Ca 0.08 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 3g4z h GLU 26 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3g4z h GLU 26 CO -0.11 0.50 -0.57 0.87 -1.00 0.00 0.00 179.01 178.69 3g4z h LYS 27 N 0.77 0.45 -0.33 2.33 1.79 -0.37 -3.04 116.57 118.17 3g4z h LYS 27 Ca 0.55 -0.29 0.10 0.00 -2.18 0.00 0.00 60.65 58.82 3g4z h LYS 27 Cb 0.84 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3g4z h LYS 27 CO -0.33 0.90 0.24 0.52 -1.08 0.00 0.00 179.45 179.70 3g4z h MET 28 N 0.34 0.00 0.00 3.15 2.86 -0.84 0.34 114.93 120.78 3g4z h MET 28 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g4z h MET 28 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3g4z h MET 28 CO 0.10 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.07 3g4z h ALA 29 N 1.83 1.00 0.00 6.32 0.00 -1.51 -3.33 119.26 123.57 3g4z h ALA 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g4z h ALA 29 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3g4z h ALA 29 CO -0.00 0.00 -0.82 0.78 0.00 0.00 0.00 179.25 179.21 3g4z h GLY 30 N 2.83 0.00 -6.27 0.00 0.00 -1.01 -3.46 103.07 95.16 3g4z h GLY 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3g4z h GLY 30 CO 0.00 0.00 -0.43 0.21 0.00 0.00 0.00 176.54 176.32 3g4z s ASN 31 N -4.68 -0.08 0.00 0.19 3.84 -1.18 -5.04 114.94 107.99 3g4z s ASN 31 Ca 0.03 0.49 0.20 0.00 0.21 0.00 0.00 52.86 53.79 3g4z s ASN 31 Cb 0.12 1.31 0.68 0.00 -0.55 0.00 0.00 41.25 42.80 3g4z s ASN 31 CO 0.76 -0.28 1.50 -0.90 -2.79 0.00 0.00 177.10 175.39 3g4z n ASP 32 N 5.38 1.80 -4.68 -4.21 3.85 -1.26 -4.61 116.55 112.81 3g4z n ASP 32 Ca -0.04 -1.76 -0.56 0.00 -0.71 0.00 0.00 54.79 51.71 3g4z n ASP 32 Cb 0.50 -0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 40.07 3g4z n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3g4z n ASP 33 N 0.42 2.16 -0.16 -1.12 4.64 -1.26 -4.82 116.55 116.41 3g4z n ASP 33 Ca 0.16 1.09 0.04 0.00 -1.38 0.00 0.00 54.79 54.70 3g4z n ASP 33 Cb 0.34 -1.14 0.34 0.00 -1.04 0.00 0.00 41.12 39.62 3g4z n ASP 33 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3g4z h PRO 34 N 6.49 0.77 -0.54 -0.67 0.11 -1.99 0.70 132.00 136.86 3g4z h PRO 34 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3g4z h PRO 34 Cb 1.33 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3g4z h PRO 34 CO 0.91 0.51 0.23 1.25 -0.21 0.00 0.00 178.00 180.69 3g4z h HIS 35 N 0.79 0.81 -0.25 0.65 2.76 -1.99 -0.30 115.15 117.61 3g4z h HIS 35 Ca 0.27 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 3g4z h HIS 35 Cb 0.10 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3g4z h HIS 35 CO -0.00 0.65 0.08 0.35 -1.30 0.00 0.00 177.93 177.71 3g4z h PHE 36 N 0.73 0.40 -0.96 5.26 3.04 -1.83 -0.93 116.94 122.65 3g4z h PHE 36 Ca 0.18 -0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.21 3g4z h PHE 36 Cb 0.17 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 38.49 3g4z h PHE 36 CO 0.00 0.44 0.61 1.96 -2.02 0.00 0.00 178.31 179.31 3g4z h GLN 37 N 0.24 0.92 -0.07 1.11 1.08 -0.55 0.49 115.11 118.33 3g4z h GLN 37 Ca 0.08 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 3g4z h GLN 37 Cb 0.22 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3g4z h GLN 37 CO -0.00 0.61 -0.16 1.15 -0.95 0.00 0.00 178.83 179.48 3g4z h THR 38 N 0.95 1.41 -0.77 -0.54 2.02 -0.85 -1.11 112.91 114.02 3g4z h THR 38 Ca 0.46 -1.47 0.05 0.00 0.77 0.00 0.00 66.41 66.22 3g4z h THR 38 Cb 0.47 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 3g4z h THR 38 CO -0.23 0.41 0.47 0.03 0.37 0.00 0.00 175.52 176.58 3g4z h ARG 39 N -0.25 0.87 -0.85 6.66 3.08 -0.70 0.19 114.38 123.38 3g4z h ARG 39 Ca 0.00 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3g4z h ARG 39 Cb 0.75 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3g4z h ARG 39 CO 0.03 0.58 0.52 0.00 -1.07 0.00 0.00 179.97 180.04 3g4z h ALA 40 N 1.35 1.18 -0.13 0.04 0.00 -0.83 -0.69 119.26 120.16 3g4z h ALA 40 Ca 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3g4z h ALA 40 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3g4z h ALA 40 CO -0.14 0.25 0.03 1.15 0.00 0.00 0.00 179.25 180.54 3g4z h THR 41 N 0.95 1.20 -0.34 0.00 2.02 0.13 0.84 112.91 117.70 3g4z h THR 41 Ca 0.38 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 67.01 3g4z h THR 41 Cb 0.19 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3g4z h THR 41 CO -0.18 0.18 -0.16 0.58 0.37 0.00 0.00 175.52 176.32 3g4z h VAL 42 N 0.02 0.51 -0.35 3.16 2.07 -0.65 -1.62 116.25 119.40 3g4z h VAL 42 Ca 0.04 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3g4z h VAL 42 Cb 0.26 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3g4z h VAL 42 CO 0.00 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.74 3g4z h ILE 43 N -0.10 1.29 -0.79 4.57 2.04 -0.97 -2.61 117.51 120.94 3g4z h ILE 43 Ca 0.17 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 3g4z h ILE 43 Cb 0.36 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3g4z h ILE 43 CO -0.41 0.46 0.34 0.50 0.00 0.00 0.00 178.15 179.04 3g4z h LYS 44 N 0.56 1.16 -0.72 2.37 3.64 -0.61 -0.30 116.57 122.66 3g4z h LYS 44 Ca 0.07 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3g4z h LYS 44 Cb 0.81 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3g4z h LYS 44 CO 0.07 0.92 0.47 1.49 -2.27 0.00 0.00 179.45 180.13 3g4z h GLU 45 N 1.13 0.93 -0.21 1.90 4.57 -1.05 -1.38 114.58 120.46 3g4z h GLU 45 Ca 0.27 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3g4z h GLU 45 Cb 0.18 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3g4z h GLU 45 CO -0.03 0.61 -0.13 1.96 -1.18 0.00 0.00 179.01 180.25 3g4z h GLN 46 N 0.96 0.46 -0.18 1.92 4.20 -1.07 -2.37 115.11 119.02 3g4z h GLN 46 Ca 0.27 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 3g4z h GLN 46 Cb -0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3g4z h GLN 46 CO -0.07 0.76 -0.45 0.00 -0.67 0.00 0.00 178.83 178.40 3g4z h ARG 47 N 0.16 0.45 -0.46 1.46 2.47 -0.98 -1.28 114.38 116.20 3g4z h ARG 47 Ca 0.04 -0.24 -0.12 0.00 -1.26 0.00 0.00 59.98 58.40 3g4z h ARG 47 Cb 0.64 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 3g4z h ARG 47 CO 0.04 0.81 -0.18 0.00 0.56 0.00 0.00 179.97 181.20 3g4z h ALA 48 N 1.15 0.82 -0.55 0.04 0.00 -1.26 -1.33 119.26 118.12 3g4z h ALA 48 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3g4z h ALA 48 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3g4z h ALA 48 CO 0.08 0.65 0.15 1.49 0.00 0.00 0.00 179.25 181.62 3g4z h GLU 49 N 0.79 0.87 -0.66 0.00 4.57 -1.09 -1.14 114.58 117.91 3g4z h GLU 49 Ca 0.11 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3g4z h GLU 49 Cb 0.72 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3g4z h GLU 49 CO 0.06 0.81 0.40 -0.07 -1.18 0.00 0.00 179.01 179.03 3g4z h LEU 50 N 0.78 0.79 -0.55 1.64 3.38 -1.07 -0.96 115.31 119.33 3g4z h LEU 50 Ca 0.17 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3g4z h LEU 50 Cb 0.32 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3g4z h LEU 50 CO -0.00 0.62 0.28 0.00 0.09 0.00 0.00 178.44 179.43 3g4z h ALA 51 N 1.21 0.71 -0.45 1.53 0.00 -1.03 -0.22 119.26 121.01 3g4z h ALA 51 Ca 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3g4z h ALA 51 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3g4z h ALA 51 CO -0.05 -0.06 0.21 0.87 0.00 0.00 0.00 179.25 180.22 3g4z h LYS 52 N 0.54 0.65 -0.40 0.00 1.57 -0.82 -1.40 116.57 116.70 3g4z h LYS 52 Ca 0.24 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3g4z h LYS 52 Cb 0.16 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3g4z h LYS 52 CO -0.17 0.56 0.07 1.25 -0.57 0.00 0.00 179.45 180.60 3g4z h HIS 53 N 0.58 0.12 -0.60 -1.35 2.76 -0.79 -0.66 115.15 115.21 3g4z h HIS 53 Ca 0.15 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3g4z h HIS 53 Cb 0.14 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 3g4z h HIS 53 CO -0.01 0.01 0.29 0.45 -1.30 0.00 0.00 177.93 177.37 3g4z h HIS 54 N 0.20 0.87 -0.20 5.26 3.86 -0.58 -1.14 115.15 123.43 3g4z h HIS 54 Ca 0.19 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3g4z h HIS 54 Cb 0.24 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3g4z h HIS 54 CO -0.21 0.67 0.10 0.28 0.86 0.00 0.00 177.93 179.63 3g4z h VAL 55 N 0.83 1.12 -0.54 2.45 2.07 -1.12 -2.18 116.25 118.88 3g4z h VAL 55 Ca 0.21 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3g4z h VAL 55 Cb 0.12 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3g4z h VAL 55 CO -0.03 0.11 0.28 -1.28 0.02 0.00 0.00 177.57 176.67 3g4z h SER 56 N 0.20 0.40 -0.76 0.57 0.87 -0.84 -2.21 113.55 111.79 3g4z h SER 56 Ca 0.07 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3g4z h SER 56 Cb 0.09 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 3g4z h SER 56 CO -0.01 0.27 0.50 0.58 -0.53 0.00 0.00 176.83 177.65 3g4z h VAL 57 N 0.54 1.19 -0.37 2.23 2.07 -1.11 -0.31 116.25 120.49 3g4z h VAL 57 Ca 0.24 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3g4z h VAL 57 Cb 0.14 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3g4z h VAL 57 CO -0.16 0.19 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 3g4z h LEU 58 N 1.03 0.08 -0.56 2.57 3.38 -1.04 0.35 115.31 121.11 3g4z h LEU 58 Ca 0.28 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 3g4z h LEU 58 Cb -0.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3g4z h LEU 58 CO -0.06 0.08 0.18 -0.25 0.09 0.00 0.00 178.44 178.48 3g4z h TRP 59 N 0.24 0.89 0.11 1.13 7.01 -0.91 -0.09 115.95 124.32 3g4z h TRP 59 Ca 0.17 -0.09 -0.34 0.00 2.11 0.00 0.00 58.89 60.74 3g4z h TRP 59 Cb 0.18 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 3g4z h TRP 59 CO -0.17 0.75 -1.84 0.66 -2.79 0.00 0.00 178.44 175.05 3g4z h SER 60 N 0.77 0.35 0.02 2.65 4.64 -0.92 -3.36 113.55 117.70 3g4z h SER 60 Ca 0.18 -0.70 -0.35 0.00 -0.47 0.00 0.00 61.79 60.45 3g4z h SER 60 Cb 0.27 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 3g4z h SER 60 CO -0.01 1.62 -2.35 0.47 -0.87 0.00 0.00 176.83 175.70 3g4z n ASP 61 N -3.40 0.03 -0.12 4.97 9.92 0.12 -4.70 116.55 123.37 3g4z n ASP 61 Ca -0.26 0.01 -0.23 0.00 -0.53 0.00 0.00 54.79 53.79 3g4z n ASP 61 Cb 1.05 1.02 -0.09 0.00 -0.64 0.00 0.00 41.12 42.46 3g4z n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4z n TYR 62 N -2.73 0.33 -2.34 1.24 9.36 -0.21 -4.97 117.16 117.84 3g4z n TYR 62 Ca -0.31 0.14 -0.41 0.00 3.32 0.00 0.00 57.90 60.65 3g4z n TYR 62 Cb 1.12 -0.93 -0.03 0.00 -0.63 0.00 0.00 39.34 38.87 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 -2.51 3.38 0.29 2.98 0.40 -0.26 -5.03 117.98 117.23 3g4z s PHE 63 Ca -0.33 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 57.57 3g4z s PHE 63 Cb 0.10 -3.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.12 3g4z s PHE 63 CO 0.49 -1.16 -0.03 0.15 0.70 0.00 0.00 175.22 175.37 3g4z s LYS 64 N -1.09 1.58 0.30 0.44 1.02 -1.26 -4.73 119.74 115.99 3g4z s LYS 64 Ca 0.49 -1.82 0.06 0.00 0.02 0.00 0.00 55.97 54.71 3g4z s LYS 64 Cb -0.34 -1.09 0.75 0.00 -0.52 0.00 0.00 37.83 36.63 3g4z s LYS 64 CO 0.42 -0.02 1.76 -1.35 -0.92 0.00 0.00 175.35 175.24 3g4z h PRO 65 N 2.23 0.67 -0.72 -1.68 0.11 -1.99 0.73 132.00 131.34 3g4z h PRO 65 Ca -0.40 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3g4z h PRO 65 Cb 1.24 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3g4z h PRO 65 CO 0.68 0.44 0.38 -1.00 -0.21 0.00 0.00 178.00 178.29 3g4z h PRO 66 N 0.69 0.64 -0.79 1.05 0.13 -2.00 -0.69 132.00 131.04 3g4z h PRO 66 Ca 0.58 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.73 3g4z h PRO 66 Cb 0.95 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 31.88 3g4z h PRO 66 CO -0.41 0.42 0.48 0.45 -0.23 0.00 0.00 178.00 178.71 3g4z h HIS 67 N 0.66 0.88 -0.39 1.56 3.86 -1.27 -1.14 115.15 119.31 3g4z h HIS 67 Ca 0.34 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.47 3g4z h HIS 67 Cb 0.31 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3g4z h HIS 67 CO -0.09 0.44 -0.20 0.74 0.86 0.00 0.00 177.93 179.68 3g4z h PHE 68 N 0.88 0.85 -0.04 2.45 0.05 -0.88 0.27 116.94 120.51 3g4z h PHE 68 Ca 0.35 -0.18 -0.00 0.00 3.82 0.00 0.00 57.97 61.95 3g4z h PHE 68 Cb 0.17 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 37.91 3g4z h PHE 68 CO -0.05 0.89 0.02 0.93 -0.18 0.00 0.00 178.31 179.93 3g4z h GLU 69 N 0.66 0.06 -0.35 1.51 5.08 -0.85 -2.91 114.58 117.78 3g4z h GLU 69 Ca 0.10 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3g4z h GLU 69 Cb 0.69 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3g4z h GLU 69 CO 0.05 0.12 0.06 -0.22 -1.00 0.00 0.00 179.01 178.02 3g4z h LYS 70 N -0.02 0.52 -2.90 2.33 3.64 -1.01 -3.34 116.57 115.80 3g4z h LYS 70 Ca 0.01 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 58.69 3g4z h LYS 70 Cb 0.08 -0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 31.40 3g4z h LYS 70 CO -0.00 0.50 -0.67 0.71 -2.27 0.00 0.00 179.45 177.72 3g4z s TYR 71 N -5.09 2.95 -0.00 1.91 1.51 0.92 -4.96 117.35 114.59 3g4z s TYR 71 Ca -0.08 -3.09 0.31 0.00 -1.01 0.00 0.00 57.07 53.21 3g4z s TYR 71 Cb 0.16 -2.26 1.44 0.00 -0.11 0.00 0.00 41.96 41.20 3g4z s TYR 71 CO 0.76 -0.62 1.93 -1.00 -1.11 0.00 0.00 175.55 175.51 3g4z h PRO 72 N 5.46 0.00 -0.00 -1.71 0.13 -1.64 -0.65 132.00 133.58 3g4z h PRO 72 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3g4z h PRO 72 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3g4z h PRO 72 CO 0.63 0.00 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.49 3g4z n GLU 73 N -2.70 0.89 -0.13 0.86 0.00 -1.26 -4.40 120.64 113.90 3g4z n GLU 73 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 57.16 56.77 3g4z n GLU 73 Cb 0.19 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.12 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 0.70 0.66 -0.10 -1.84 5.85 -1.45 -0.32 115.31 118.82 3g4z h LEU 74 Ca 0.00 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3g4z h LEU 74 Cb 0.30 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3g4z h LEU 74 CO 0.00 0.82 -0.23 0.45 -0.34 0.00 0.00 178.44 179.14 3g4z h HIS 75 N 0.49 -0.62 -0.80 1.25 3.86 -1.79 -0.58 115.15 116.95 3g4z h HIS 75 Ca 0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3g4z h HIS 75 Cb 0.49 0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 3g4z h HIS 75 CO 0.04 -0.32 0.41 0.37 0.86 0.00 0.00 177.93 179.29 3g4z h GLN 76 N -0.32 1.13 -0.74 2.45 5.75 -1.82 -1.51 115.11 120.06 3g4z h GLN 76 Ca 0.09 -0.15 0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3g4z h GLN 76 Cb 0.45 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 3g4z h GLN 76 CO -0.28 0.86 0.41 1.25 -2.65 0.00 0.00 178.83 178.42 3g4z h LEU 77 N 1.13 0.58 -0.20 -2.39 5.85 -0.61 0.60 115.31 120.27 3g4z h LEU 77 Ca 0.28 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 3g4z h LEU 77 Cb 0.08 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3g4z h LEU 77 CO -0.04 0.35 -0.27 0.58 -0.34 0.00 0.00 178.44 178.72 3g4z h VAL 78 N 0.72 1.33 -0.68 1.05 2.07 -0.61 -1.05 116.25 119.08 3g4z h VAL 78 Ca 0.35 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.49 3g4z h VAL 78 Cb 0.28 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3g4z h VAL 78 CO -0.22 0.45 0.32 -1.13 0.02 0.00 0.00 177.57 177.01 3g4z h ASN 79 N 0.20 0.39 -0.75 0.57 -0.73 -1.02 -1.62 115.58 112.63 3g4z h ASN 79 Ca 0.02 0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.21 3g4z h ASN 79 Cb 0.84 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.40 3g4z h ASN 79 CO 0.06 0.22 0.26 0.44 -0.37 0.00 0.00 177.43 178.05 3g4z h ASP 80 N 0.54 1.07 -0.12 1.15 3.32 -0.67 -0.91 116.42 120.80 3g4z h ASP 80 Ca 0.34 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3g4z h ASP 80 Cb 0.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3g4z h ASP 80 CO -0.28 0.97 0.07 0.74 -1.72 0.00 0.00 179.24 179.02 3g4z h THR 81 N 1.10 1.06 -0.82 0.35 2.02 -0.57 0.16 112.91 116.21 3g4z h THR 81 Ca 0.24 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3g4z h THR 81 Cb 0.27 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3g4z h THR 81 CO -0.01 0.05 0.43 -0.07 0.37 0.00 0.00 175.52 176.28 3g4z h LEU 82 N 0.13 1.04 -0.77 2.58 3.38 -1.11 -0.05 115.31 120.52 3g4z h LEU 82 Ca 0.04 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3g4z h LEU 82 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3g4z h LEU 82 CO -0.01 0.86 -0.41 0.11 0.09 0.00 0.00 178.44 179.08 3g4z h LYS 83 N 1.15 0.44 -0.71 1.13 1.57 -0.92 -0.20 116.57 119.03 3g4z h LYS 83 Ca 0.28 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3g4z h LYS 83 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3g4z h LYS 83 CO -0.04 0.78 0.34 0.00 -0.57 0.00 0.00 179.45 179.96 3g4z h ALA 84 N 1.20 0.91 -0.65 3.86 0.00 -0.31 -0.17 119.26 124.10 3g4z h ALA 84 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3g4z h ALA 84 Cb 0.88 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3g4z h ALA 84 CO 0.07 0.47 0.16 -0.07 0.00 0.00 0.00 179.25 179.89 3g4z h LEU 85 N 0.99 0.99 -0.78 0.00 3.38 -0.64 -0.10 115.31 119.14 3g4z h LEU 85 Ca 0.24 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3g4z h LEU 85 Cb 0.12 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3g4z h LEU 85 CO -0.03 0.96 0.46 0.28 0.09 0.00 0.00 178.44 180.20 3g4z h SER 86 N 0.96 0.69 -0.53 -0.43 0.02 -0.82 -0.83 113.55 112.62 3g4z h SER 86 Ca 0.20 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3g4z h SER 86 Cb 0.36 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3g4z h SER 86 CO 0.00 0.43 0.05 0.00 -1.14 0.00 0.00 176.83 176.18 3g4z h ALA 87 N 1.39 0.70 -0.48 3.77 0.00 -0.62 -2.14 119.26 121.89 3g4z h ALA 87 Ca 0.35 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3g4z h ALA 87 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3g4z h ALA 87 CO -0.19 0.48 0.29 0.00 0.00 0.00 0.00 179.25 179.82 3g4z h ALA 88 N 0.97 0.61 -0.82 0.00 0.00 -0.85 -2.49 119.26 116.67 3g4z h ALA 88 Ca 0.16 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.23 3g4z h ALA 88 Cb 0.46 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 3g4z h ALA 88 CO 0.02 -0.00 0.31 -0.22 0.00 0.00 0.00 179.25 179.36 3g4z h LYS 89 N 0.59 0.38 -0.00 0.00 3.64 -0.87 -1.78 116.57 118.52 3g4z h LYS 89 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3g4z h LYS 89 Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3g4z h LYS 89 CO -0.07 0.25 -0.02 0.41 -2.27 0.00 0.00 179.45 177.75 3g4z n GLY 90 N -1.34 -0.79 3.24 5.01 0.00 -0.83 -4.80 105.19 105.68 3g4z n GLY 90 Ca 0.18 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 2.10 0.00 1.61 0.15 -0.67 -5.02 113.70 109.75 3g4z s SER 91 Ca 0.41 -0.75 0.25 0.00 0.70 0.00 0.00 55.95 56.56 3g4z s SER 91 Cb 0.21 -0.09 0.42 0.00 -1.71 0.00 0.00 66.02 64.85 3g4z s SER 91 CO 0.39 -0.08 1.36 0.29 1.20 0.00 0.00 173.24 176.40 3g4z n LYS 92 N 0.79 1.43 -2.85 5.44 5.02 -1.26 -4.91 118.16 121.81 3g4z n LYS 92 Ca -0.17 -1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 54.64 3g4z n LYS 92 Cb 0.56 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.30 6.75 0.53 4.39 -1.08 -1.26 -4.64 116.67 119.06 3g4z s ASP 93 Ca 0.25 0.79 0.35 0.00 -0.52 0.00 0.00 52.55 53.43 3g4z s ASP 93 Cb 0.19 -2.45 1.83 0.00 -1.46 0.00 0.00 42.92 41.04 3g4z s ASP 93 CO 0.46 -0.69 2.07 -0.65 0.52 0.00 0.00 175.17 176.89 3g4z h PRO 94 N 8.09 0.00 -0.10 4.34 0.11 -1.89 0.75 132.00 143.30 3g4z h PRO 94 Ca -0.23 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.90 3g4z h PRO 94 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g4z h PRO 94 CO 0.93 0.00 0.07 0.00 -0.21 0.00 0.00 178.00 178.79 3g4z h ALA 95 N 2.02 2.02 -0.17 -0.75 0.00 -1.97 0.44 119.26 120.85 3g4z h ALA 95 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3g4z h ALA 95 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g4z h ALA 95 CO 0.00 -0.03 -0.72 1.79 0.00 0.00 0.00 179.25 180.29 3g4z h THR 96 N 0.06 1.28 -0.59 0.00 1.35 -1.24 -1.75 112.91 112.02 3g4z h THR 96 Ca 0.04 -1.92 0.02 0.00 -0.55 0.00 0.00 66.41 64.00 3g4z h THR 96 Cb 0.09 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 3g4z h THR 96 CO -0.00 0.61 0.38 1.23 -0.25 0.00 0.00 175.52 177.48 3g4z h GLY 97 N 0.54 0.84 0.97 5.82 0.00 -1.51 -2.15 103.07 107.58 3g4z h GLY 97 Ca -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3g4z h GLY 97 CO 0.15 0.26 0.15 -1.61 0.00 0.00 0.00 176.54 175.49 3g4z h GLN 98 N 0.75 0.30 -0.67 4.80 5.75 -0.87 -1.19 115.11 124.00 3g4z h GLN 98 Ca 0.23 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.80 3g4z h GLN 98 Cb -0.03 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.38 3g4z h GLN 98 CO -0.08 0.20 0.31 -0.22 -2.65 0.00 0.00 178.83 176.39 3g4z h LYS 99 N 0.31 0.52 -0.10 1.69 1.63 -1.09 0.10 116.57 119.64 3g4z h LYS 99 Ca 0.09 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3g4z h LYS 99 Cb -0.02 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 3g4z h LYS 99 CO -0.03 0.35 0.03 0.00 -3.45 0.00 0.00 179.45 176.34 3g4z h ALA 100 N 1.41 0.10 -0.63 5.00 0.00 -1.18 -1.91 119.26 122.06 3g4z h ALA 100 Ca 0.33 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.35 3g4z h ALA 100 Cb 0.35 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3g4z h ALA 100 CO -0.27 -0.44 0.23 -0.07 0.00 0.00 0.00 179.25 178.70 3g4z h LEU 101 N 0.07 0.21 -0.69 0.00 3.38 -0.64 -0.99 115.31 116.65 3g4z h LEU 101 Ca 0.04 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3g4z h LEU 101 Cb 0.03 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3g4z h LEU 101 CO -0.05 0.12 0.42 0.44 0.09 0.00 0.00 178.44 179.46 3g4z h ASP 102 N 0.40 0.68 -0.45 -0.43 3.45 -0.43 0.10 116.42 119.74 3g4z h ASP 102 Ca 0.32 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 3g4z h ASP 102 Cb 0.42 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 3g4z h ASP 102 CO -0.33 0.46 0.12 1.88 -1.57 0.00 0.00 179.24 179.80 3g4z h TYR 103 N 0.81 0.74 -0.88 4.55 -1.99 -0.93 -2.65 116.97 116.63 3g4z h TYR 103 Ca 0.29 -0.08 0.05 0.00 2.00 0.00 0.00 58.73 60.98 3g4z h TYR 103 Cb 0.07 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 3g4z h TYR 103 CO -0.05 0.67 0.57 0.82 -0.00 0.00 0.00 178.16 180.18 3g4z h ILE 104 N 0.59 1.11 -0.45 -2.88 2.04 -0.57 -1.80 117.51 115.54 3g4z h ILE 104 Ca 0.14 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3g4z h ILE 104 Cb 0.30 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3g4z h ILE 104 CO -0.00 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.44 3g4z h ALA 105 N 1.51 1.32 -0.61 1.87 0.00 -0.60 0.16 119.26 122.92 3g4z h ALA 105 Ca 0.36 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3g4z h ALA 105 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3g4z h ALA 105 CO -0.12 0.48 0.05 1.96 0.00 0.00 0.00 179.25 181.62 3g4z h GLN 106 N 0.66 1.03 -0.81 0.00 4.20 -1.03 -1.06 115.11 118.11 3g4z h GLN 106 Ca 0.15 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3g4z h GLN 106 Cb 0.27 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3g4z h GLN 106 CO -0.00 0.99 0.39 0.82 -0.67 0.00 0.00 178.83 180.36 3g4z h ILE 107 N 0.94 1.25 -0.60 2.54 2.04 -0.78 -2.64 117.51 120.26 3g4z h ILE 107 Ca 0.18 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3g4z h ILE 107 Cb 0.49 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3g4z h ILE 107 CO 0.02 0.30 0.33 -0.78 0.00 0.00 0.00 178.15 178.02 3g4z h ASP 108 N 1.14 0.75 -0.28 1.72 3.58 -0.30 0.17 116.42 123.22 3g4z h ASP 108 Ca 0.28 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3g4z h ASP 108 Cb 0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3g4z h ASP 108 CO -0.04 0.63 0.15 0.50 -2.88 0.00 0.00 179.24 177.60 3g4z h LYS 109 N 0.82 0.39 -0.25 0.28 3.64 -1.12 -2.00 116.57 118.33 3g4z h LYS 109 Ca 0.21 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3g4z h LYS 109 Cb 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3g4z h LYS 109 CO -0.03 0.35 0.15 0.82 -2.27 0.00 0.00 179.45 178.47 3g4z h ILE 110 N 0.33 1.09 -0.16 2.00 2.04 -1.05 -2.77 117.51 118.98 3g4z h ILE 110 Ca 0.10 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3g4z h ILE 110 Cb 0.08 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 3g4z h ILE 110 CO -0.01 0.09 -0.35 0.15 0.00 0.00 0.00 178.15 178.02 3g4z h PHE 111 N 0.32 -0.98 0.00 1.37 3.57 -0.44 -1.51 116.94 119.25 3g4z h PHE 111 Ca 0.09 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3g4z h PHE 111 Cb 0.01 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3g4z h PHE 111 CO -0.05 -0.42 -0.19 -1.49 -2.23 0.00 0.00 178.31 173.93 3g4z h TRP 112 N -0.41 0.00 -0.25 0.41 4.06 -1.35 -2.28 115.95 116.13 3g4z h TRP 112 Ca 0.10 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 3g4z h TRP 112 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 3g4z h TRP 112 CO -0.45 0.19 0.11 0.93 -3.56 0.00 0.00 178.44 175.66 3g4z h GLU 113 N 0.00 0.36 0.00 0.49 5.08 -1.01 -2.50 114.58 117.00 3g4z h GLU 113 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3g4z h GLU 113 Cb 0.39 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3g4z h GLU 113 CO 0.02 0.37 -0.02 1.79 -1.00 0.00 0.00 179.01 180.17 3g4z h THR 114 N 0.26 0.50 0.00 1.13 1.35 -0.83 0.56 112.91 115.88 3g4z h THR 114 Ca 0.08 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3g4z h THR 114 Cb 0.13 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3g4z h THR 114 CO -0.01 0.02 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 3g4z h LYS 115 N 0.00 0.00 0.08 4.72 1.79 -1.02 -3.30 116.57 118.83 3g4z h LYS 115 Ca -0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 3g4z h LYS 115 Cb 0.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3g4z h LYS 115 CO 0.00 0.00 -1.90 1.63 -1.08 0.00 0.00 179.45 178.10 3g4z n LYS 116 N -2.59 0.71 0.00 3.15 5.02 0.16 -5.11 118.16 119.50 3g4z n LYS 116 Ca 0.03 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3g4z n LYS 116 Cb 0.35 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3g4z n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88