#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4x n ASP 3 N 0.62 -3.59 0.05 0.00 -0.08 -1.26 -4.96 116.55 107.33 3g4x n ASP 3 Ca 0.11 0.07 -0.11 0.00 -1.51 0.00 0.00 54.79 53.35 3g4x n ASP 3 Cb 0.49 -1.33 -0.04 0.00 2.34 0.00 0.00 41.12 42.58 3g4x n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3g4x h LEU 4 N 0.00 -0.50-10.13 -2.67 5.85 -2.02 -3.46 115.31 102.38 3g4x h LEU 4 Ca -0.06 0.08 -0.47 0.00 0.84 0.00 0.00 57.88 58.27 3g4x h LEU 4 Cb 0.27 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3g4x h LEU 4 CO 0.08 -0.23 0.31 -2.16 -0.34 0.00 0.00 178.44 176.10 3g4x s PRO 5 N -6.12 4.02 -0.00 5.25 0.04 -1.26 -5.13 135.00 131.79 3g4x s PRO 5 Ca -0.15 0.92 0.12 0.00 0.04 0.00 0.00 61.00 61.93 3g4x s PRO 5 Cb 0.09 -2.21 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 3g4x s PRO 5 CO 0.67 -0.13 0.45 0.00 0.04 0.00 0.00 177.00 178.03 3g4x n GLY 7 N 1.40 0.79 3.40 0.00 0.00 -1.26 -4.95 105.19 104.56 3g4x n GLY 7 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3g4x n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4x s VAL 8 N -1.88 4.85 0.04 1.61 1.01 -1.26 -4.95 120.40 119.82 3g4x s VAL 8 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3g4x s VAL 8 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3g4x s VAL 8 CO 0.00 -0.33 -0.10 -0.36 0.00 0.00 0.00 175.10 174.32 3g4x s PHE 9 N 1.59 0.86 -0.30 5.22 0.40 -1.26 -2.51 117.98 121.98 3g4x s PHE 9 Ca 0.03 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 3g4x s PHE 9 Cb -0.20 -0.51 0.12 0.00 0.51 0.00 0.00 43.02 42.95 3g4x s PHE 9 CO 0.07 -0.02 0.69 0.34 0.70 0.00 0.00 175.22 177.00 3g4x s ASP 10 N -1.28 -1.05 0.00 1.36 -1.08 -1.26 -5.01 116.67 108.35 3g4x s ASP 10 Ca -0.04 1.49 0.03 0.00 -0.52 0.00 0.00 52.55 53.50 3g4x s ASP 10 Cb -0.08 2.05 0.11 0.00 -1.46 0.00 0.00 42.92 43.54 3g4x s ASP 10 CO 0.01 -0.21 1.08 -2.65 0.52 0.00 0.00 175.17 173.91 3g4x n PRO 11 N 5.15 0.00 -0.05 4.34 -0.02 -1.26 -2.09 135.00 141.08 3g4x n PRO 11 Ca -0.13 0.45 0.22 0.00 -2.02 0.00 0.00 63.50 62.02 3g4x n PRO 11 Cb 0.51 -1.50 0.70 0.00 -0.02 0.00 0.00 33.50 33.19 3g4x n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4x h ALA 12 N 2.09 2.59 -0.01 3.55 0.00 -1.98 0.19 119.26 125.69 3g4x h ALA 12 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g4x h ALA 12 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g4x h ALA 12 CO 0.00 -0.77 0.00 1.96 0.00 0.00 0.00 179.25 180.45 3g4x h GLN 13 N 0.00 0.02 -0.25 0.00 4.20 -1.85 0.20 115.11 117.42 3g4x h GLN 13 Ca 0.30 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.01 3g4x h GLN 13 Cb 1.19 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3g4x h GLN 13 CO -0.00 0.30 0.15 0.00 -0.67 0.00 0.00 178.83 178.61 3g4x h ALA 14 N 0.71 0.31 -0.16 3.87 0.00 -1.65 -2.99 119.26 119.36 3g4x h ALA 14 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3g4x h ALA 14 Cb 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3g4x h ALA 14 CO 0.00 -0.24 -0.10 -0.09 0.00 0.00 0.00 179.25 178.82 3g4x h ARG 15 N 0.31 -0.10 -0.85 0.00 2.43 -0.86 -1.26 114.38 114.05 3g4x h ARG 15 Ca 0.10 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3g4x h ARG 15 Cb -0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3g4x h ARG 15 CO -0.04 -0.06 0.45 0.97 -1.51 0.00 0.00 179.97 179.78 3g4x h ILE 16 N -0.10 1.25 -0.60 1.20 2.10 -0.95 0.09 117.51 120.50 3g4x h ILE 16 Ca 0.09 -0.64 -0.08 0.00 1.08 0.00 0.00 64.86 65.31 3g4x h ILE 16 Cb 0.24 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.06 3g4x h ILE 16 CO -0.22 0.29 0.07 -0.33 -1.08 0.00 0.00 178.15 176.87 3g4x h GLU 17 N 1.19 1.02 -0.08 2.19 4.39 -1.36 -1.83 114.58 120.11 3g4x h GLU 17 Ca 0.30 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3g4x h GLU 17 Cb 0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3g4x h GLU 17 CO -0.05 0.98 -0.31 0.00 -1.16 0.00 0.00 179.01 178.47 3g4x h ALA 18 N 1.01 1.35 -0.47 3.43 0.00 -0.74 -1.77 119.26 122.07 3g4x h ALA 18 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3g4x h ALA 18 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3g4x h ALA 18 CO 0.02 0.46 0.22 0.93 0.00 0.00 0.00 179.25 180.88 3g4x h GLU 19 N 0.12 0.68 -0.78 0.00 5.08 -0.85 -1.82 114.58 117.01 3g4x h GLU 19 Ca 0.02 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3g4x h GLU 19 Cb 0.61 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3g4x h GLU 19 CO 0.04 0.58 0.49 0.77 -1.00 0.00 0.00 179.01 179.89 3g4x h SER 20 N 0.61 0.81 0.06 1.42 0.02 -1.00 0.11 113.55 115.59 3g4x h SER 20 Ca 0.16 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3g4x h SER 20 Cb 0.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3g4x h SER 20 CO -0.02 0.56 -0.15 0.58 -1.14 0.00 0.00 176.83 176.65 3g4x h VAL 21 N 0.96 0.64 -0.77 2.27 2.07 -1.15 0.67 116.25 120.94 3g4x h VAL 21 Ca 0.31 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.79 3g4x h VAL 21 Cb 0.02 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3g4x h VAL 21 CO -0.12 0.00 0.31 0.50 0.02 0.00 0.00 177.57 178.29 3g4x h LYS 22 N -0.29 1.15 -0.62 1.57 3.64 -1.02 -1.51 116.57 119.49 3g4x h LYS 22 Ca 0.03 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3g4x h LYS 22 Cb 0.32 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3g4x h LYS 22 CO -0.10 0.93 0.12 0.00 -2.27 0.00 0.00 179.45 178.12 3g4x h ALA 23 N 1.16 1.04 -0.63 5.00 0.00 -0.51 -1.18 119.26 124.14 3g4x h ALA 23 Ca 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3g4x h ALA 23 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3g4x h ALA 23 CO -0.02 0.62 0.18 0.28 0.00 0.00 0.00 179.25 180.31 3g4x h VAL 24 N 0.94 1.25 -0.77 0.00 2.07 -0.41 -1.55 116.25 117.78 3g4x h VAL 24 Ca 0.19 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.89 3g4x h VAL 24 Cb 0.38 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3g4x h VAL 24 CO 0.01 0.33 0.46 1.56 0.02 0.00 0.00 177.57 179.95 3g4x h GLN 25 N 0.91 0.83 -0.74 1.57 4.20 -0.68 -1.37 115.11 119.83 3g4x h GLN 25 Ca 0.20 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3g4x h GLN 25 Cb 0.32 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3g4x h GLN 25 CO -0.00 0.55 0.34 0.93 -0.67 0.00 0.00 178.83 179.98 3g4x h GLU 26 N 0.85 1.08 -0.78 1.46 5.08 -0.95 -2.95 114.58 118.38 3g4x h GLU 26 Ca 0.34 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3g4x h GLU 26 Cb 0.16 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3g4x h GLU 26 CO -0.17 0.85 0.30 0.87 -1.00 0.00 0.00 179.01 179.86 3g4x h LYS 27 N 1.05 1.17 -0.06 2.33 1.79 -0.75 -2.61 116.57 119.49 3g4x h LYS 27 Ca 0.25 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 3g4x h LYS 27 Cb 0.14 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3g4x h LYS 27 CO -0.03 0.96 0.19 0.52 -1.08 0.00 0.00 179.45 180.01 3g4x h MET 28 N 1.13 0.00 0.00 3.15 2.86 -1.09 0.90 114.93 121.88 3g4x h MET 28 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3g4x h MET 28 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3g4x h MET 28 CO -0.02 0.00 -0.29 0.00 1.06 0.00 0.00 176.91 177.66 3g4x n ALA 29 N -2.08 2.62 1.00 6.32 0.00 -0.98 -3.99 120.51 123.39 3g4x n ALA 29 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.40 3g4x n ALA 29 Cb 0.27 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 3g4x n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4x n GLY 30 N 1.34 0.07 3.04 0.00 0.00 0.30 -4.91 105.19 105.03 3g4x n GLY 30 Ca 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 3g4x n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g4x s ASN 31 N -2.46 -0.62 0.00 1.61 3.84 -1.19 -5.03 114.94 111.10 3g4x s ASN 31 Ca 0.19 0.44 0.08 0.00 0.21 0.00 0.00 52.86 53.77 3g4x s ASN 31 Cb 0.18 1.65 0.26 0.00 -0.55 0.00 0.00 41.25 42.79 3g4x s ASN 31 CO 0.56 -0.29 1.21 -0.90 -2.79 0.00 0.00 177.10 174.89 3g4x n ASP 32 N 5.40 1.28 -4.66 -4.21 3.85 -1.26 -4.59 116.55 112.34 3g4x n ASP 32 Ca -0.01 -1.97 -0.51 0.00 -0.71 0.00 0.00 54.79 51.59 3g4x n ASP 32 Cb 0.51 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 40.07 3g4x n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3g4x n ASP 33 N 0.19 2.70 -0.04 -1.12 4.64 -1.26 -4.84 116.55 116.81 3g4x n ASP 33 Ca 0.09 1.06 0.02 0.00 -1.38 0.00 0.00 54.79 54.57 3g4x n ASP 33 Cb 0.21 -1.29 0.34 0.00 -1.04 0.00 0.00 41.12 39.33 3g4x n ASP 33 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3g4x h PRO 34 N 6.81 0.62 -0.28 -0.67 0.11 -1.99 0.63 132.00 137.22 3g4x h PRO 34 Ca -0.47 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3g4x h PRO 34 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3g4x h PRO 34 CO 0.90 0.49 0.06 1.25 -0.21 0.00 0.00 178.00 180.49 3g4x h HIS 35 N 0.62 0.49 -0.25 0.65 2.76 -1.98 -1.40 115.15 116.04 3g4x h HIS 35 Ca 0.16 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3g4x h HIS 35 Cb 0.09 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3g4x h HIS 35 CO 0.01 0.55 0.10 0.35 -1.30 0.00 0.00 177.93 177.63 3g4x h PHE 36 N 0.29 0.19 -0.75 5.26 3.04 -1.86 -0.96 116.94 122.14 3g4x h PHE 36 Ca 0.09 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.16 3g4x h PHE 36 Cb 0.31 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.69 3g4x h PHE 36 CO 0.02 0.10 0.36 1.96 -2.02 0.00 0.00 178.31 178.73 3g4x h GLN 37 N 0.23 0.56 -0.25 1.11 1.08 -0.74 0.51 115.11 117.62 3g4x h GLN 37 Ca 0.11 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3g4x h GLN 37 Cb 0.06 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3g4x h GLN 37 CO -0.09 0.37 -0.11 1.15 -0.95 0.00 0.00 178.83 179.20 3g4x h THR 38 N 0.58 1.30 -0.40 -0.54 2.02 -1.08 -1.05 112.91 113.73 3g4x h THR 38 Ca 0.39 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3g4x h THR 38 Cb 0.48 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3g4x h THR 38 CO -0.32 0.36 0.23 0.03 0.37 0.00 0.00 175.52 176.20 3g4x h ARG 39 N 0.23 0.54 -0.71 6.66 3.08 -0.69 -0.58 114.38 122.91 3g4x h ARG 39 Ca 0.06 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.15 3g4x h ARG 39 Cb 0.60 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 3g4x h ARG 39 CO 0.03 0.42 0.35 0.00 -1.07 0.00 0.00 179.97 179.70 3g4x h ALA 40 N 1.09 0.99 -0.46 0.04 0.00 -0.89 -0.27 119.26 119.77 3g4x h ALA 40 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3g4x h ALA 40 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3g4x h ALA 40 CO -0.03 -0.07 0.22 1.15 0.00 0.00 0.00 179.25 180.53 3g4x h THR 41 N 0.58 1.18 -0.12 0.00 2.02 -0.58 0.49 112.91 116.48 3g4x h THR 41 Ca 0.36 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3g4x h THR 41 Cb 0.40 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3g4x h THR 41 CO -0.28 0.20 -0.03 0.58 0.37 0.00 0.00 175.52 176.35 3g4x h VAL 42 N 0.60 0.87 -0.49 3.16 2.07 -0.63 -2.20 116.25 119.63 3g4x h VAL 42 Ca 0.16 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.57 3g4x h VAL 42 Cb 0.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3g4x h VAL 42 CO -0.02 0.00 -0.13 0.40 0.02 0.00 0.00 177.57 177.84 3g4x h ILE 43 N -0.00 1.27 -0.67 4.57 2.04 -0.92 -2.75 117.51 121.05 3g4x h ILE 43 Ca 0.06 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 3g4x h ILE 43 Cb 0.09 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3g4x h ILE 43 CO -0.13 0.44 0.14 0.50 0.00 0.00 0.00 178.15 179.10 3g4x h LYS 44 N 0.80 1.08 -0.31 2.37 3.64 -0.81 -0.70 116.57 122.65 3g4x h LYS 44 Ca 0.12 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3g4x h LYS 44 Cb 0.69 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3g4x h LYS 44 CO 0.05 0.97 0.19 1.49 -2.27 0.00 0.00 179.45 179.88 3g4x h GLU 45 N 1.02 0.37 0.14 1.90 4.57 -1.25 -1.37 114.58 119.97 3g4x h GLU 45 Ca 0.21 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3g4x h GLU 45 Cb 0.39 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3g4x h GLU 45 CO 0.01 0.25 -0.07 1.96 -1.18 0.00 0.00 179.01 179.97 3g4x h GLN 46 N 0.38 -0.18 -0.87 1.92 4.20 -1.19 -1.59 115.11 117.79 3g4x h GLN 46 Ca 0.12 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3g4x h GLN 46 Cb -0.01 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3g4x h GLN 46 CO -0.05 0.01 0.51 0.00 -0.67 0.00 0.00 178.83 178.63 3g4x h ARG 47 N -0.34 1.18 -0.63 1.46 2.47 -1.10 -0.94 114.38 116.48 3g4x h ARG 47 Ca -0.02 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 3g4x h ARG 47 Cb 0.27 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3g4x h ARG 47 CO 0.03 0.84 0.09 0.00 0.56 0.00 0.00 179.97 181.49 3g4x h ALA 48 N 1.28 0.83 -0.85 0.04 0.00 -1.18 -0.73 119.26 118.65 3g4x h ALA 48 Ca 0.31 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3g4x h ALA 48 Cb -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3g4x h ALA 48 CO -0.06 0.61 0.56 1.49 0.00 0.00 0.00 179.25 181.85 3g4x h GLU 49 N 0.96 1.09 -0.38 0.00 4.57 -0.77 -1.56 114.58 118.50 3g4x h GLU 49 Ca 0.19 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 3g4x h GLU 49 Cb 0.45 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3g4x h GLU 49 CO 0.02 0.72 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.26 3g4x h LEU 50 N 1.12 0.76 -0.34 1.64 3.38 -0.83 -2.00 115.31 119.04 3g4x h LEU 50 Ca 0.32 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g4x h LEU 50 Cb -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3g4x h LEU 50 CO -0.08 0.97 0.22 0.00 0.09 0.00 0.00 178.44 179.63 3g4x h ALA 51 N 1.08 0.43 -0.82 1.53 0.00 -0.90 -0.63 119.26 119.96 3g4x h ALA 51 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3g4x h ALA 51 Cb 0.74 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3g4x h ALA 51 CO 0.06 -0.09 0.53 0.87 0.00 0.00 0.00 179.25 180.61 3g4x h LYS 52 N 0.45 1.02 -0.17 0.00 1.57 -1.07 -1.13 116.57 117.24 3g4x h LYS 52 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3g4x h LYS 52 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3g4x h LYS 52 CO -0.03 0.67 0.10 1.25 -0.57 0.00 0.00 179.45 180.88 3g4x h HIS 53 N 1.05 0.22 -0.97 -1.35 2.76 -0.91 0.41 115.15 116.36 3g4x h HIS 53 Ca 0.32 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.52 3g4x h HIS 53 Cb -0.04 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 3g4x h HIS 53 CO -0.02 0.19 0.64 0.45 -1.30 0.00 0.00 177.93 177.89 3g4x h HIS 54 N 0.19 1.20 -0.12 5.26 3.86 -0.72 -0.29 115.15 124.53 3g4x h HIS 54 Ca 0.06 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3g4x h HIS 54 Cb 0.03 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.10 3g4x h HIS 54 CO -0.05 0.71 -0.12 0.28 0.86 0.00 0.00 177.93 179.61 3g4x h VAL 55 N 1.25 1.35 -0.80 2.45 2.07 -0.88 -2.42 116.25 119.27 3g4x h VAL 55 Ca 0.38 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3g4x h VAL 55 Cb -0.03 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3g4x h VAL 55 CO -0.11 0.37 0.51 -1.28 0.02 0.00 0.00 177.57 177.07 3g4x h SER 56 N -0.10 0.82 -0.53 0.57 0.87 -0.67 -2.62 113.55 111.89 3g4x h SER 56 Ca 0.02 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3g4x h SER 56 Cb 0.64 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3g4x h SER 56 CO 0.03 0.56 0.31 0.58 -0.53 0.00 0.00 176.83 177.78 3g4x h VAL 57 N 0.97 1.03 -0.65 2.23 2.07 -0.95 0.01 116.25 120.96 3g4x h VAL 57 Ca 0.33 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.71 3g4x h VAL 57 Cb 0.06 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 3g4x h VAL 57 CO -0.13 0.11 0.33 -0.07 0.02 0.00 0.00 177.57 177.83 3g4x h LEU 58 N 0.61 0.45 -0.46 2.57 3.38 -1.16 0.58 115.31 121.28 3g4x h LEU 58 Ca 0.22 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 3g4x h LEU 58 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3g4x h LEU 58 CO -0.11 0.28 -0.38 -0.25 0.09 0.00 0.00 178.44 178.07 3g4x h TRP 59 N 0.59 1.04 0.10 1.13 7.01 -1.05 0.19 115.95 124.96 3g4x h TRP 59 Ca 0.30 -0.31 -0.35 0.00 2.11 0.00 0.00 58.89 60.65 3g4x h TRP 59 Cb 0.26 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 3g4x h TRP 59 CO -0.10 1.11 -1.92 -1.13 -2.79 0.00 0.00 178.44 173.61 3g4x n SER 60 N -4.06 1.85 -0.06 2.65 3.41 -0.07 -4.07 113.62 113.28 3g4x n SER 60 Ca -0.02 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.83 3g4x n SER 60 Cb 0.53 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 3g4x n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3g4x n ASP 61 N -3.39 0.88 -0.10 4.04 9.92 0.20 -4.73 116.55 123.37 3g4x n ASP 61 Ca -0.28 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.85 3g4x n ASP 61 Cb 1.05 1.21 -0.05 0.00 -0.64 0.00 0.00 41.12 42.69 3g4x n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4x n TYR 62 N -2.46 0.36 -2.08 1.24 9.36 -0.58 -4.96 117.16 118.04 3g4x n TYR 62 Ca -0.19 0.16 -0.40 0.00 3.32 0.00 0.00 57.90 60.78 3g4x n TYR 62 Cb 0.86 -0.73 -0.01 0.00 -0.63 0.00 0.00 39.34 38.82 3g4x n TYR 62 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3g4x s PHE 63 N -2.60 2.94 0.29 2.98 0.40 -0.05 -5.03 117.98 116.92 3g4x s PHE 63 Ca -0.27 1.40 0.04 0.00 -0.60 0.00 0.00 56.93 57.51 3g4x s PHE 63 Cb 0.06 -3.69 -0.06 0.00 0.51 0.00 0.00 43.02 39.84 3g4x s PHE 63 CO 0.40 -1.98 0.01 0.15 0.70 0.00 0.00 175.22 174.50 3g4x s LYS 64 N -1.98 1.54 0.36 0.44 1.02 -1.26 -4.74 119.74 115.11 3g4x s LYS 64 Ca 0.52 -1.82 0.10 0.00 0.02 0.00 0.00 55.97 54.80 3g4x s LYS 64 Cb -0.39 -0.86 0.86 0.00 -0.52 0.00 0.00 37.83 36.92 3g4x s LYS 64 CO 0.52 -0.11 1.84 -1.35 -0.92 0.00 0.00 175.35 175.33 3g4x h PRO 65 N 2.25 0.63 -0.18 -1.68 0.11 -2.00 0.14 132.00 131.27 3g4x h PRO 65 Ca -0.40 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3g4x h PRO 65 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3g4x h PRO 65 CO 0.68 0.42 -0.07 -1.35 -0.21 0.00 0.00 178.00 177.46 3g4x h PRO 66 N 0.65 0.28 -0.53 1.05 0.11 -1.99 -0.88 132.00 130.68 3g4x h PRO 66 Ca 0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.44 3g4x h PRO 66 Cb 0.87 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3g4x h PRO 66 CO -0.24 0.36 -0.06 0.45 -0.21 0.00 0.00 178.00 178.30 3g4x h HIS 67 N 0.27 1.06 -0.19 0.65 3.86 -1.14 -1.47 115.15 118.19 3g4x h HIS 67 Ca 0.06 -0.19 -0.15 0.00 -1.16 0.00 0.00 60.37 58.93 3g4x h HIS 67 Cb 0.30 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3g4x h HIS 67 CO 0.01 0.98 -0.50 0.74 0.86 0.00 0.00 177.93 180.01 3g4x h PHE 68 N 0.87 0.64 0.43 2.45 0.05 -1.05 0.72 116.94 121.05 3g4x h PHE 68 Ca 0.15 -0.21 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 3g4x h PHE 68 Cb 0.60 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.41 3g4x h PHE 68 CO 0.04 0.91 -0.32 0.93 -0.18 0.00 0.00 178.31 179.70 3g4x h GLU 69 N 0.41 -0.71 -0.25 1.51 4.39 -1.05 -2.80 114.58 116.07 3g4x h GLU 69 Ca 0.02 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3g4x h GLU 69 Cb 1.02 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3g4x h GLU 69 CO 0.09 -0.47 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.15 3g4x h LYS 70 N -0.74 0.40 -2.82 2.33 3.64 -1.20 -3.34 116.57 114.85 3g4x h LYS 70 Ca -0.04 -0.10 -0.61 0.00 -1.27 0.00 0.00 60.65 58.62 3g4x h LYS 70 Cb 0.63 -0.05 -0.42 0.00 -0.41 0.00 0.00 32.23 31.98 3g4x h LYS 70 CO 0.01 0.51 -0.62 0.66 -2.27 0.00 0.00 179.45 177.75 3g4x n TYR 71 N -4.24 2.97 0.27 1.91 4.02 0.24 -4.96 117.16 117.36 3g4x n TYR 71 Ca 0.00 -4.20 0.15 0.00 -0.01 0.00 0.00 57.90 53.85 3g4x n TYR 71 Cb 0.29 -0.54 0.78 0.00 -0.02 0.00 0.00 39.34 39.84 3g4x n TYR 71 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3g4x h PRO 72 N 5.12 0.00 -0.26 -0.72 0.13 -1.62 -0.48 132.00 134.16 3g4x h PRO 72 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3g4x h PRO 72 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3g4x h PRO 72 CO 0.71 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 3g4x n GLU 73 N -2.59 2.00 -0.11 0.86 0.00 -1.26 -4.39 120.64 115.15 3g4x n GLU 73 Ca -0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 57.16 55.51 3g4x n GLU 73 Cb 0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 3g4x n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3g4x h LEU 74 N 2.95 0.74 -0.10 -1.84 5.85 -1.41 -1.74 115.31 119.76 3g4x h LEU 74 Ca 0.00 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3g4x h LEU 74 Cb 0.65 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3g4x h LEU 74 CO 0.00 1.00 -0.45 0.45 -0.34 0.00 0.00 178.44 179.10 3g4x h HIS 75 N 0.48 -1.29 -0.72 1.25 3.86 -1.79 -0.60 115.15 116.34 3g4x h HIS 75 Ca 0.07 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3g4x h HIS 75 Cb 0.74 0.58 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 3g4x h HIS 75 CO 0.06 -0.50 0.45 0.37 0.86 0.00 0.00 177.93 179.17 3g4x h GLN 76 N -0.54 0.97 -0.54 2.45 5.75 -1.86 -1.99 115.11 119.36 3g4x h GLN 76 Ca 0.06 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 3g4x h GLN 76 Cb 0.65 -0.21 -0.08 0.00 1.07 0.00 0.00 27.48 28.91 3g4x h GLN 76 CO -0.39 0.67 0.10 1.25 -2.65 0.00 0.00 178.83 177.82 3g4x h LEU 77 N 0.98 -0.01 -0.67 -2.39 5.85 -0.86 0.29 115.31 118.50 3g4x h LEU 77 Ca 0.26 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 3g4x h LEU 77 Cb -0.06 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3g4x h LEU 77 CO -0.05 0.01 -0.18 0.58 -0.34 0.00 0.00 178.44 178.47 3g4x h VAL 78 N 0.24 1.27 -0.48 1.05 2.07 -0.65 -1.10 116.25 118.65 3g4x h VAL 78 Ca 0.28 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3g4x h VAL 78 Cb 0.39 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3g4x h VAL 78 CO -0.37 0.44 0.08 -1.13 0.02 0.00 0.00 177.57 176.62 3g4x h ASN 79 N 0.75 0.75 -0.78 0.57 -0.73 -0.81 -2.07 115.58 113.27 3g4x h ASN 79 Ca 0.11 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 3g4x h ASN 79 Cb 0.70 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 3g4x h ASN 79 CO 0.05 0.82 0.36 0.44 -0.37 0.00 0.00 177.43 178.74 3g4x h ASP 80 N 0.66 1.03 -0.46 1.15 3.32 -0.12 -0.00 116.42 121.99 3g4x h ASP 80 Ca 0.15 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3g4x h ASP 80 Cb 0.38 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3g4x h ASP 80 CO 0.01 0.88 0.19 0.74 -1.72 0.00 0.00 179.24 179.34 3g4x h THR 81 N 1.12 1.20 -0.36 0.35 2.02 -0.87 0.22 112.91 116.59 3g4x h THR 81 Ca 0.27 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 3g4x h THR 81 Cb 0.13 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3g4x h THR 81 CO -0.03 0.23 -0.03 -0.07 0.37 0.00 0.00 175.52 175.99 3g4x h LEU 82 N 0.60 0.66 -1.09 2.58 3.38 -1.02 -0.57 115.31 119.85 3g4x h LEU 82 Ca 0.15 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3g4x h LEU 82 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3g4x h LEU 82 CO -0.01 0.83 0.11 0.11 0.09 0.00 0.00 178.44 179.56 3g4x h LYS 83 N 0.47 0.75 -0.65 1.13 1.57 -0.72 -0.45 116.57 118.66 3g4x h LYS 83 Ca 0.10 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3g4x h LYS 83 Cb 0.51 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3g4x h LYS 83 CO 0.02 0.69 0.15 0.00 -0.57 0.00 0.00 179.45 179.74 3g4x h ALA 84 N 1.39 1.03 -0.59 3.86 0.00 -0.31 0.14 119.26 124.78 3g4x h ALA 84 Ca 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3g4x h ALA 84 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3g4x h ALA 84 CO -0.00 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 179.99 3g4x h LEU 85 N 0.98 0.86 -0.92 0.00 3.38 -0.53 -0.66 115.31 118.42 3g4x h LEU 85 Ca 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3g4x h LEU 85 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3g4x h LEU 85 CO 0.00 0.84 0.38 0.28 0.09 0.00 0.00 178.44 180.03 3g4x h SER 86 N 0.83 1.04 -0.47 -0.43 0.02 -0.80 -0.92 113.55 112.82 3g4x h SER 86 Ca 0.19 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3g4x h SER 86 Cb 0.29 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3g4x h SER 86 CO -0.00 0.89 0.02 0.00 -1.14 0.00 0.00 176.83 176.59 3g4x h ALA 87 N 1.27 1.04 -0.23 3.77 0.00 -0.73 -2.12 119.26 122.26 3g4x h ALA 87 Ca 0.27 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3g4x h ALA 87 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g4x h ALA 87 CO -0.03 0.60 -0.39 0.00 0.00 0.00 0.00 179.25 179.43 3g4x h ALA 88 N 1.19 0.91 -0.66 0.00 0.00 -0.80 -2.62 119.26 117.28 3g4x h ALA 88 Ca 0.16 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.74 3g4x h ALA 88 Cb 0.46 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3g4x h ALA 88 CO 0.02 0.63 0.27 0.87 0.00 0.00 0.00 179.25 181.04 3g4x h LYS 89 N 0.43 0.45 -0.00 0.00 1.57 -0.80 -2.60 116.57 115.62 3g4x h LYS 89 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3g4x h LYS 89 Cb 0.87 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3g4x h LYS 89 CO 0.07 0.30 -0.01 0.41 -0.57 0.00 0.00 179.45 179.66 3g4x n GLY 90 N -1.30 -1.06 3.31 3.86 0.00 -0.83 -4.83 105.19 104.33 3g4x n GLY 90 Ca 0.10 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3g4x n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4x s SER 91 N -2.22 2.61 0.02 1.61 0.15 -0.98 -5.03 113.70 109.86 3g4x s SER 91 Ca 0.40 -0.77 0.24 0.00 0.70 0.00 0.00 55.95 56.52 3g4x s SER 91 Cb 0.21 -0.15 0.23 0.00 -1.71 0.00 0.00 66.02 64.61 3g4x s SER 91 CO 0.41 0.01 1.21 0.29 1.20 0.00 0.00 173.24 176.36 3g4x n LYS 92 N 0.71 0.08 -2.63 5.44 5.02 -1.26 -4.91 118.16 120.61 3g4x n LYS 92 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 3g4x n LYS 92 Cb 0.55 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3g4x n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g4x s ASP 93 N -3.27 6.96 0.52 4.39 -1.08 -1.26 -4.67 116.67 118.26 3g4x s ASP 93 Ca 0.08 1.16 0.34 0.00 -0.52 0.00 0.00 52.55 53.62 3g4x s ASP 93 Cb 0.16 -2.54 1.85 0.00 -1.46 0.00 0.00 42.92 40.93 3g4x s ASP 93 CO 0.76 -0.83 2.04 -0.65 0.52 0.00 0.00 175.17 177.01 3g4x h PRO 94 N 7.99 0.00 -0.05 4.34 0.11 -1.88 0.69 132.00 143.19 3g4x h PRO 94 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 3g4x h PRO 94 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3g4x h PRO 94 CO 1.02 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.70 3g4x h ALA 95 N 1.94 1.72 -0.30 -0.75 0.00 -1.96 -0.20 119.26 119.70 3g4x h ALA 95 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 3g4x h ALA 95 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3g4x h ALA 95 CO 0.00 0.21 -0.48 1.79 0.00 0.00 0.00 179.25 180.76 3g4x h THR 96 N 0.08 1.28 -0.79 0.00 1.35 -1.25 -1.55 112.91 112.03 3g4x h THR 96 Ca 0.02 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.16 3g4x h THR 96 Cb 0.25 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 3g4x h THR 96 CO 0.02 0.55 0.33 1.23 -0.25 0.00 0.00 175.52 177.39 3g4x h GLY 97 N 0.80 1.26 0.98 5.82 0.00 -1.47 -2.33 103.07 108.13 3g4x h GLY 97 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3g4x h GLY 97 CO 0.11 0.64 0.23 -1.61 0.00 0.00 0.00 176.54 175.90 3g4x h GLN 98 N 1.14 0.52 -0.75 4.80 5.75 -0.88 -1.58 115.11 124.12 3g4x h GLN 98 Ca 0.27 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.75 3g4x h GLN 98 Cb 0.19 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 3g4x h GLN 98 CO -0.02 0.40 0.47 -0.22 -2.65 0.00 0.00 178.83 176.80 3g4x h LYS 99 N 0.50 0.89 -0.37 1.69 1.63 -1.03 0.20 116.57 120.08 3g4x h LYS 99 Ca 0.14 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 3g4x h LYS 99 Cb 0.01 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3g4x h LYS 99 CO -0.02 0.59 0.22 0.00 -3.45 0.00 0.00 179.45 176.79 3g4x h ALA 100 N 1.32 0.47 -0.62 5.00 0.00 -1.18 -1.85 119.26 122.39 3g4x h ALA 100 Ca 0.30 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3g4x h ALA 100 Cb 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3g4x h ALA 100 CO -0.11 -0.11 0.30 -0.07 0.00 0.00 0.00 179.25 179.25 3g4x h LEU 101 N 0.46 0.39 -0.13 0.00 3.38 -0.40 -1.02 115.31 117.99 3g4x h LEU 101 Ca 0.14 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3g4x h LEU 101 Cb -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3g4x h LEU 101 CO -0.06 0.24 -0.18 0.44 0.09 0.00 0.00 178.44 178.97 3g4x h ASP 102 N 0.54 -0.57 -0.56 -0.43 3.45 -0.06 0.12 116.42 118.92 3g4x h ASP 102 Ca 0.30 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.88 3g4x h ASP 102 Cb 0.28 0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.28 3g4x h ASP 102 CO -0.24 -0.23 0.35 1.88 -1.57 0.00 0.00 179.24 179.43 3g4x h TYR 103 N -0.23 0.65 -1.00 4.55 0.99 -1.08 -2.37 116.97 118.47 3g4x h TYR 103 Ca 0.10 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.87 3g4x h TYR 103 Cb 0.37 -0.21 -0.05 0.00 1.00 0.00 0.00 36.73 37.84 3g4x h TYR 103 CO -0.29 0.38 0.66 0.82 -0.00 0.00 0.00 178.16 179.73 3g4x h ILE 104 N 0.69 1.21 -0.67 -2.88 2.04 -0.53 -1.42 117.51 115.96 3g4x h ILE 104 Ca 0.22 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3g4x h ILE 104 Cb -0.00 -0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 35.83 3g4x h ILE 104 CO -0.09 0.24 0.45 0.00 0.00 0.00 0.00 178.15 178.75 3g4x h ALA 105 N 1.40 1.58 -0.48 1.87 0.00 -0.36 0.62 119.26 123.89 3g4x h ALA 105 Ca 0.39 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3g4x h ALA 105 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3g4x h ALA 105 CO -0.11 0.37 -0.07 1.96 0.00 0.00 0.00 179.25 181.40 3g4x h GLN 106 N 0.85 0.89 -0.68 0.00 4.20 -0.79 -1.54 115.11 118.04 3g4x h GLN 106 Ca 0.26 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3g4x h GLN 106 Cb -0.00 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3g4x h GLN 106 CO -0.07 0.96 0.26 0.82 -0.67 0.00 0.00 178.83 180.14 3g4x h ILE 107 N 0.74 1.24 -0.47 2.54 2.04 -0.84 -2.42 117.51 120.35 3g4x h ILE 107 Ca 0.13 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3g4x h ILE 107 Cb 0.60 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3g4x h ILE 107 CO 0.04 0.31 0.04 -0.78 0.00 0.00 0.00 178.15 177.76 3g4x h ASP 108 N 0.97 0.71 -0.14 1.72 3.58 -0.72 0.10 116.42 122.65 3g4x h ASP 108 Ca 0.23 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3g4x h ASP 108 Cb 0.22 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3g4x h ASP 108 CO -0.02 0.75 0.03 0.50 -2.88 0.00 0.00 179.24 177.63 3g4x h LYS 109 N 0.71 0.22 -0.27 0.28 3.64 -1.04 -2.16 116.57 117.96 3g4x h LYS 109 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3g4x h LYS 109 Cb 0.37 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3g4x h LYS 109 CO 0.01 0.39 0.11 0.82 -2.27 0.00 0.00 179.45 178.51 3g4x h ILE 110 N 0.01 0.96 -0.23 2.00 2.04 -1.04 -2.82 117.51 118.44 3g4x h ILE 110 Ca 0.04 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3g4x h ILE 110 Cb 0.27 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3g4x h ILE 110 CO 0.00 0.04 -0.38 0.15 0.00 0.00 0.00 178.15 177.96 3g4x h PHE 111 N 0.24 -1.09 0.00 1.37 3.57 -0.57 -1.39 116.94 119.07 3g4x h PHE 111 Ca 0.11 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3g4x h PHE 111 Cb 0.06 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3g4x h PHE 111 CO -0.11 -0.44 -0.30 -1.49 -2.23 0.00 0.00 178.31 173.74 3g4x h TRP 112 N -0.40 0.00 -0.65 0.41 4.06 -1.38 -1.86 115.95 116.13 3g4x h TRP 112 Ca 0.11 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 3g4x h TRP 112 Cb 0.59 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.72 3g4x h TRP 112 CO -0.50 0.30 0.32 0.93 -3.56 0.00 0.00 178.44 175.93 3g4x h GLU 113 N 0.00 0.93 0.00 0.49 5.08 -1.01 -2.26 114.58 117.81 3g4x h GLU 113 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3g4x h GLU 113 Cb 0.64 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3g4x h GLU 113 CO 0.04 0.74 0.00 1.79 -1.00 0.00 0.00 179.01 180.58 3g4x h THR 114 N 0.90 0.00 0.00 1.13 1.35 -0.72 -0.85 112.91 114.72 3g4x h THR 114 Ca 0.22 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3g4x h THR 114 Cb 0.11 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3g4x h THR 114 CO -0.03 0.00 -0.02 0.29 -0.25 0.00 0.00 175.52 175.51 3g4x n LYS 115 N -2.72 0.26 0.04 4.72 4.76 -0.86 -3.90 118.16 120.47 3g4x n LYS 115 Ca 0.01 0.21 -0.22 0.00 -2.87 0.00 0.00 58.31 55.43 3g4x n LYS 115 Cb 0.23 -1.80 -0.14 0.00 -1.84 0.00 0.00 35.03 31.48 3g4x n LYS 115 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3g4x h LYS 116 N 0.00 0.33 0.00 1.97 1.57 -1.02 -3.51 116.57 115.91 3g4x h LYS 116 Ca 0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3g4x h LYS 116 Cb 0.74 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3g4x h LYS 116 CO 0.00 1.27 0.00 0.00 -0.57 0.00 0.00 179.45 180.15