#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 -1.73 -2.01 0.01 0.00 -0.08 -1.26 -4.99 116.55 106.49 3g4x n ASP 3 Ca 0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.18 3g4x n ASP 3 Cb 0.37 -0.35 -0.05 0.00 2.34 0.00 0.00 41.12 43.43 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 -0.00-10.00 -2.67 5.85 -2.01 -3.46 115.31 103.02 3g4x h LEU 4 Ca 0.00 0.01 -0.47 0.00 0.84 0.00 0.00 57.88 58.27 3g4x h LEU 4 Cb 0.05 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3g4x h LEU 4 CO 0.00 0.01 0.37 -2.16 -0.34 0.00 0.00 178.44 176.33 3g4x s PRO 5 N -6.19 4.19 0.10 5.25 0.04 -1.26 -5.11 135.00 132.01 3g4x s PRO 5 Ca -0.13 1.34 0.23 0.00 0.04 0.00 0.00 61.00 62.48 3g4x s PRO 5 Cb 0.07 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3g4x s PRO 5 CO 0.67 -0.09 0.90 0.00 0.04 0.00 0.00 177.00 178.52 3g4x n GLY 7 N 1.26 1.30 3.35 0.00 0.00 -1.26 -4.96 105.19 104.88 3g4x n GLY 7 Ca -0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3g4x n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4x s VAL 8 N -2.59 3.90 0.04 1.61 0.11 -1.26 -4.94 120.40 117.28 3g4x s VAL 8 Ca 0.00 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 3g4x s VAL 8 Cb 0.00 -2.98 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 3g4x s VAL 8 CO 0.00 0.14 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.49 3g4x s PHE 9 N 1.50 0.53 -0.30 1.54 0.40 -1.26 -1.47 117.98 118.93 3g4x s PHE 9 Ca 0.03 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 55.70 3g4x s PHE 9 Cb -0.17 -0.34 0.16 0.00 0.51 0.00 0.00 43.02 43.18 3g4x s PHE 9 CO 0.02 -0.14 0.74 0.34 0.70 0.00 0.00 175.22 176.88 3g4x s ASP 10 N -1.70 -1.03 0.03 1.36 -1.08 -1.26 -5.01 116.67 107.98 3g4x s ASP 10 Ca -0.10 1.15 0.02 0.00 -0.52 0.00 0.00 52.55 53.10 3g4x s ASP 10 Cb -0.08 2.07 0.09 0.00 -1.46 0.00 0.00 42.92 43.54 3g4x s ASP 10 CO -0.01 -0.20 0.93 -2.65 0.52 0.00 0.00 175.17 173.76 3g4x n PRO 11 N 5.35 0.01 0.27 4.34 -0.02 -1.26 -1.82 135.00 141.86 3g4x n PRO 11 Ca -0.08 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 3g4x n PRO 11 Cb 0.51 -1.67 0.71 0.00 -0.02 0.00 0.00 33.50 33.03 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 1.49 1.74 -0.30 3.55 0.00 -1.98 -0.84 119.26 122.92 3g4x h ALA 12 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3g4x h ALA 12 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g4x h ALA 12 CO 0.00 0.05 0.10 1.96 0.00 0.00 0.00 179.25 181.36 3g4x h GLN 13 N 0.00 0.46 -0.32 0.00 4.20 -1.80 0.19 115.11 117.85 3g4x h GLN 13 Ca -0.00 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 3g4x h GLN 13 Cb 0.08 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3g4x h GLN 13 CO 0.01 0.50 -0.50 0.00 -0.67 0.00 0.00 178.83 178.16 3g4x h ALA 14 N 0.94 0.49 -0.32 3.87 0.00 -1.63 -2.99 119.26 119.62 3g4x h ALA 14 Ca 0.10 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3g4x h ALA 14 Cb 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3g4x h ALA 14 CO -0.00 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 179.97 3g4x h ARG 15 N 0.70 0.28 -0.84 0.00 2.43 -0.98 -1.79 114.38 114.19 3g4x h ARG 15 Ca 0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3g4x h ARG 15 Cb 1.11 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 3g4x h ARG 15 CO 0.12 0.19 0.45 0.82 -1.51 0.00 0.00 179.97 180.03 3g4x h ILE 16 N 0.29 1.25 -0.31 1.20 2.04 -0.98 0.16 117.51 121.16 3g4x h ILE 16 Ca 0.14 -0.63 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 3g4x h ILE 16 Cb 0.08 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3g4x h ILE 16 CO -0.12 0.28 -0.35 -0.33 0.00 0.00 0.00 178.15 177.63 3g4x h GLU 17 N 1.17 0.70 -0.00 2.37 4.39 -1.35 -2.10 114.58 119.77 3g4x h GLU 17 Ca 0.29 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 3g4x h GLU 17 Cb 0.05 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3g4x h GLU 17 CO -0.05 0.95 -0.59 0.00 -1.16 0.00 0.00 179.01 178.17 3g4x h ALA 18 N 1.02 1.03 -0.55 3.43 0.00 -1.01 -1.51 119.26 121.66 3g4x h ALA 18 Ca 0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3g4x h ALA 18 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3g4x h ALA 18 CO 0.08 0.73 -0.01 0.93 0.00 0.00 0.00 179.25 180.98 3g4x h GLU 19 N 0.00 0.96 -0.83 0.00 5.08 -0.43 -2.28 114.58 117.08 3g4x h GLU 19 Ca -0.01 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3g4x h GLU 19 Cb 1.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3g4x h GLU 19 CO 0.08 0.96 0.43 0.77 -1.00 0.00 0.00 179.01 180.25 3g4x h SER 20 N 0.88 1.06 -0.12 1.42 0.02 -0.89 -0.34 113.55 115.58 3g4x h SER 20 Ca 0.16 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3g4x h SER 20 Cb 0.54 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3g4x h SER 20 CO 0.03 0.88 -0.11 0.58 -1.14 0.00 0.00 176.83 177.06 3g4x h VAL 21 N 1.17 0.68 -0.37 2.27 2.07 -0.99 -0.59 116.25 120.49 3g4x h VAL 21 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3g4x h VAL 21 Cb 0.07 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3g4x h VAL 21 CO -0.04 0.00 0.11 0.50 0.02 0.00 0.00 177.57 178.15 3g4x h LYS 22 N -0.13 0.58 -0.93 1.57 3.64 -1.17 -1.65 116.57 118.48 3g4x h LYS 22 Ca 0.08 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 3g4x h LYS 22 Cb 0.25 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 3g4x h LYS 22 CO -0.20 0.60 0.56 0.00 -2.27 0.00 0.00 179.45 178.14 3g4x h ALA 23 N 0.95 1.36 -0.25 5.00 0.00 -0.84 -0.30 119.26 125.18 3g4x h ALA 23 Ca 0.12 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3g4x h ALA 23 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g4x h ALA 23 CO -0.00 0.17 -0.17 0.28 0.00 0.00 0.00 179.25 179.53 3g4x h VAL 24 N 0.91 1.31 -0.69 0.00 2.07 -0.69 -1.42 116.25 117.73 3g4x h VAL 24 Ca 0.45 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3g4x h VAL 24 Cb 0.43 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3g4x h VAL 24 CO -0.26 0.40 0.39 1.56 0.02 0.00 0.00 177.57 179.69 3g4x h GLN 25 N 0.27 0.70 -0.53 1.57 4.20 -0.74 0.77 115.11 121.35 3g4x h GLN 25 Ca 0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 3g4x h GLN 25 Cb 0.70 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3g4x h GLN 25 CO 0.05 0.46 0.04 0.93 -0.67 0.00 0.00 178.83 179.63 3g4x h GLU 26 N 0.72 0.91 0.00 1.46 5.08 -0.86 -2.37 114.58 119.52 3g4x h GLU 26 Ca 0.31 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3g4x h GLU 26 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3g4x h GLU 26 CO -0.18 0.91 -0.19 0.87 -1.00 0.00 0.00 179.01 179.42 3g4x h LYS 27 N 0.79 0.00 0.00 2.33 1.57 -0.41 -2.45 116.57 118.40 3g4x h LYS 27 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3g4x h LYS 27 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3g4x h LYS 27 CO 0.02 0.19 -0.10 0.52 -0.57 0.00 0.00 179.45 179.51 3g4x h MET 28 N 0.00 0.00 0.00 3.15 2.86 -0.32 -1.61 114.93 119.01 3g4x h MET 28 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g4x h MET 28 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3g4x h MET 28 CO 0.02 0.10 0.00 0.00 1.06 0.00 0.00 176.91 178.09 3g4x n ALA 29 N -2.26 2.20 0.77 6.32 0.00 -0.92 -3.99 120.51 122.64 3g4x n ALA 29 Ca -0.02 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3g4x n ALA 29 Cb 0.22 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 1.13 0.08 3.01 0.00 0.00 -0.61 -4.89 105.19 103.91 3g4x n GLY 30 Ca 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.91 -0.43 0.00 1.61 3.84 -1.23 -5.03 114.94 111.78 3g4x s ASN 31 Ca 0.16 0.42 0.25 0.00 0.21 0.00 0.00 52.86 53.89 3g4x s ASN 31 Cb 0.14 1.54 0.85 0.00 -0.55 0.00 0.00 41.25 43.24 3g4x s ASN 31 CO 0.39 -0.29 1.62 -0.90 -2.79 0.00 0.00 177.10 175.14 3g4x n ASP 32 N 5.39 1.74 -4.66 -4.21 3.85 -1.26 -4.61 116.55 112.78 3g4x n ASP 32 Ca -0.02 -1.63 -0.53 0.00 -0.71 0.00 0.00 54.79 51.90 3g4x n ASP 32 Cb 0.51 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.16 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 0.36 2.44 -0.22 -1.12 2.03 -1.26 -4.82 116.55 113.96 3g4x n ASP 33 Ca 0.18 1.07 -0.00 0.00 0.52 0.00 0.00 54.79 56.55 3g4x n ASP 33 Cb 0.37 -1.23 0.11 0.00 -0.72 0.00 0.00 41.12 39.65 3g4x n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g4x h PRO 34 N 6.61 0.55 -0.16 -0.67 0.11 -1.99 -0.52 132.00 135.94 3g4x h PRO 34 Ca -0.47 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3g4x h PRO 34 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3g4x h PRO 34 CO 0.89 0.37 0.07 1.25 -0.21 0.00 0.00 178.00 180.37 3g4x h HIS 35 N 0.57 0.13 -0.78 0.65 -0.00 -1.99 -0.11 115.15 113.62 3g4x h HIS 35 Ca 0.32 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.75 3g4x h HIS 35 Cb 0.30 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.62 3g4x h HIS 35 CO -0.11 0.07 0.47 0.35 -0.00 0.00 0.00 177.93 178.71 3g4x h PHE 36 N 0.15 0.88 -0.66 5.26 3.04 -1.75 -0.48 116.94 123.39 3g4x h PHE 36 Ca 0.06 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 3g4x h PHE 36 Cb 0.02 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.22 3g4x h PHE 36 CO -0.10 0.45 0.10 1.96 -2.02 0.00 0.00 178.31 178.71 3g4x h GLN 37 N 0.88 1.09 -0.31 1.11 1.08 -0.75 0.26 115.11 118.47 3g4x h GLN 37 Ca 0.34 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3g4x h GLN 37 Cb 0.14 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3g4x h GLN 37 CO -0.16 1.00 -0.03 1.15 -0.95 0.00 0.00 178.83 179.84 3g4x h THR 38 N 1.01 1.27 -0.66 -0.54 2.02 -0.55 -1.64 112.91 113.82 3g4x h THR 38 Ca 0.20 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 3g4x h THR 38 Cb 0.45 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3g4x h THR 38 CO 0.01 0.33 0.17 0.03 0.37 0.00 0.00 175.52 176.44 3g4x h ARG 39 N 0.36 1.04 -0.67 6.66 3.08 -0.82 -1.50 114.38 122.53 3g4x h ARG 39 Ca 0.08 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3g4x h ARG 39 Cb 0.50 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3g4x h ARG 39 CO 0.02 0.93 0.43 0.00 -1.07 0.00 0.00 179.97 180.28 3g4x h ALA 40 N 1.07 0.86 -0.49 0.04 0.00 -0.83 -1.42 119.26 118.49 3g4x h ALA 40 Ca 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3g4x h ALA 40 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g4x h ALA 40 CO 0.00 0.23 0.09 1.15 0.00 0.00 0.00 179.25 180.72 3g4x h THR 41 N 0.86 1.25 -0.34 0.00 2.02 -0.96 -0.22 112.91 115.52 3g4x h THR 41 Ca 0.26 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3g4x h THR 41 Cb -0.04 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3g4x h THR 41 CO -0.08 0.32 0.20 0.58 0.37 0.00 0.00 175.52 176.91 3g4x h VAL 42 N 0.68 1.04 -0.08 3.16 2.07 -1.03 -1.94 116.25 120.15 3g4x h VAL 42 Ca 0.15 -0.14 -0.23 0.00 0.82 0.00 0.00 66.70 67.30 3g4x h VAL 42 Cb 0.38 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3g4x h VAL 42 CO 0.01 0.08 -0.86 0.40 0.02 0.00 0.00 177.57 177.21 3g4x h ILE 43 N 0.41 1.31 -0.67 4.57 2.04 -1.19 -2.74 117.51 121.25 3g4x h ILE 43 Ca 0.13 -2.14 0.06 0.00 1.00 0.00 0.00 64.86 63.92 3g4x h ILE 43 Cb -0.00 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 3g4x h ILE 43 CO -0.06 0.66 0.37 0.50 0.00 0.00 0.00 178.15 179.62 3g4x h LYS 44 N 0.41 0.66 -0.42 2.37 3.64 -0.93 -0.87 116.57 121.43 3g4x h LYS 44 Ca -0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3g4x h LYS 44 Cb 1.48 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3g4x h LYS 44 CO 0.17 0.44 0.21 1.49 -2.27 0.00 0.00 179.45 179.48 3g4x h GLU 45 N 0.68 0.60 -0.03 1.90 4.57 -1.24 -1.18 114.58 119.87 3g4x h GLU 45 Ca 0.30 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3g4x h GLU 45 Cb 0.20 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3g4x h GLU 45 CO -0.19 0.51 0.01 1.96 -1.18 0.00 0.00 179.01 180.13 3g4x h GLN 46 N 0.54 0.04 -0.25 1.92 4.20 -1.18 -2.06 115.11 118.32 3g4x h GLN 46 Ca 0.14 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3g4x h GLN 46 Cb 0.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3g4x h GLN 46 CO -0.02 0.21 -0.25 0.00 -0.67 0.00 0.00 178.83 178.10 3g4x h ARG 47 N -0.13 0.49 -0.61 1.46 2.47 -1.03 -1.90 114.38 115.13 3g4x h ARG 47 Ca 0.01 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 3g4x h ARG 47 Cb 0.18 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3g4x h ARG 47 CO -0.00 0.70 0.10 0.00 0.56 0.00 0.00 179.97 181.34 3g4x h ALA 48 N 1.30 0.81 -0.86 0.04 0.00 -1.22 -0.35 119.26 118.99 3g4x h ALA 48 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3g4x h ALA 48 Cb 0.67 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3g4x h ALA 48 CO 0.05 0.56 0.46 1.49 0.00 0.00 0.00 179.25 181.81 3g4x h GLU 49 N 0.92 1.20 -0.41 0.00 4.57 -1.10 -0.61 114.58 119.14 3g4x h GLU 49 Ca 0.19 -0.14 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 3g4x h GLU 49 Cb 0.42 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3g4x h GLU 49 CO 0.01 0.88 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.45 3g4x h LEU 50 N 1.20 0.88 -0.41 1.64 3.38 -1.18 -1.50 115.31 119.32 3g4x h LEU 50 Ca 0.30 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3g4x h LEU 50 Cb 0.04 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3g4x h LEU 50 CO -0.05 1.09 0.04 0.00 0.09 0.00 0.00 178.44 179.62 3g4x h ALA 51 N 0.82 0.42 -1.01 1.53 0.00 -0.77 -1.29 119.26 118.96 3g4x h ALA 51 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3g4x h ALA 51 Cb 0.76 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3g4x h ALA 51 CO 0.06 -0.36 0.66 0.87 0.00 0.00 0.00 179.25 180.49 3g4x h LYS 52 N 0.16 1.28 -0.47 0.00 1.57 -0.87 -1.73 116.57 116.51 3g4x h LYS 52 Ca 0.20 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3g4x h LYS 52 Cb 0.27 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3g4x h LYS 52 CO -0.30 0.85 0.06 1.25 -0.57 0.00 0.00 179.45 180.74 3g4x h HIS 53 N 1.32 0.84 -0.74 -1.35 2.76 -0.78 0.23 115.15 117.42 3g4x h HIS 53 Ca 0.39 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.39 3g4x h HIS 53 Cb -0.08 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3g4x h HIS 53 CO -0.00 0.79 0.28 0.45 -1.30 0.00 0.00 177.93 178.15 3g4x h HIS 54 N 0.65 1.14 -0.27 5.26 3.86 -0.69 -1.17 115.15 123.93 3g4x h HIS 54 Ca 0.14 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3g4x h HIS 54 Cb 0.41 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3g4x h HIS 54 CO 0.03 0.87 0.01 0.28 0.86 0.00 0.00 177.93 179.98 3g4x h VAL 55 N 1.09 1.25 -0.73 2.45 2.07 -1.07 -2.33 116.25 118.97 3g4x h VAL 55 Ca 0.25 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3g4x h VAL 55 Cb 0.23 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3g4x h VAL 55 CO -0.02 0.28 0.35 -1.28 0.02 0.00 0.00 177.57 176.92 3g4x h SER 56 N 0.25 0.96 -0.85 0.57 0.87 -0.69 -2.46 113.55 112.20 3g4x h SER 56 Ca 0.08 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3g4x h SER 56 Cb 0.40 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3g4x h SER 56 CO 0.01 0.82 0.48 0.58 -0.53 0.00 0.00 176.83 178.20 3g4x h VAL 57 N 1.03 1.25 -0.07 2.23 2.07 -1.17 0.58 116.25 122.17 3g4x h VAL 57 Ca 0.25 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3g4x h VAL 57 Cb 0.12 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3g4x h VAL 57 CO -0.03 0.27 -0.00 -0.07 0.02 0.00 0.00 177.57 177.75 3g4x h LEU 58 N 1.19 -0.03 -0.40 2.57 3.38 -1.09 0.22 115.31 121.14 3g4x h LEU 58 Ca 0.30 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3g4x h LEU 58 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3g4x h LEU 58 CO -0.05 -0.01 0.19 -0.25 0.09 0.00 0.00 178.44 178.41 3g4x h TRP 59 N 0.02 0.59 0.20 1.13 7.01 -1.18 0.60 115.95 124.32 3g4x h TRP 59 Ca 0.03 -0.03 -0.27 0.00 2.11 0.00 0.00 58.89 60.73 3g4x h TRP 59 Cb 0.04 -0.18 0.03 0.00 -2.10 0.00 0.00 29.16 26.95 3g4x h TRP 59 CO -0.12 0.49 -1.22 0.66 -2.79 0.00 0.00 178.44 175.47 3g4x h SER 60 N 0.51 0.66 0.00 2.65 4.64 -0.83 -3.36 113.55 117.81 3g4x h SER 60 Ca 0.14 -0.93 -0.36 0.00 -0.47 0.00 0.00 61.79 60.16 3g4x h SER 60 Cb 0.13 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 61.94 3g4x h SER 60 CO -0.02 1.58 -2.37 0.47 -0.87 0.00 0.00 176.83 175.63 3g4x n ASP 61 N -3.89 0.74 -0.09 4.97 9.92 0.78 -4.71 116.55 124.26 3g4x n ASP 61 Ca -0.17 -0.04 -0.12 0.00 -0.53 0.00 0.00 54.79 53.94 3g4x n ASP 61 Cb 0.98 0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 41.98 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 -2.88 0.82 -2.00 1.24 9.36 -0.51 -4.96 117.16 118.24 3g4x n TYR 62 Ca -0.36 0.36 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 3g4x n TYR 62 Cb 1.09 -0.86 -0.01 0.00 -0.63 0.00 0.00 39.34 38.93 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 -2.35 2.89 0.26 2.98 0.40 0.09 -5.04 117.98 117.20 3g4x s PHE 63 Ca -0.22 1.31 0.04 0.00 -0.60 0.00 0.00 56.93 57.46 3g4x s PHE 63 Cb 0.04 -3.80 -0.05 0.00 0.51 0.00 0.00 43.02 39.71 3g4x s PHE 63 CO 0.36 -2.29 0.02 0.15 0.70 0.00 0.00 175.22 174.16 3g4x s LYS 64 N -1.84 1.43 0.30 0.44 1.02 -1.26 -4.74 119.74 115.09 3g4x s LYS 64 Ca 0.51 -1.74 0.05 0.00 0.02 0.00 0.00 55.97 54.80 3g4x s LYS 64 Cb -0.42 -0.67 0.82 0.00 -0.52 0.00 0.00 37.83 37.03 3g4x s LYS 64 CO 0.56 -0.13 1.63 -1.35 -0.92 0.00 0.00 175.35 175.15 3g4x h PRO 65 N 2.37 0.18 0.00 -1.68 0.11 -1.99 0.24 132.00 131.23 3g4x h PRO 65 Ca -0.39 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 3g4x h PRO 65 Cb 1.23 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g4x h PRO 65 CO 0.65 0.12 -0.15 -1.00 -0.21 0.00 0.00 178.00 177.41 3g4x h PRO 66 N 0.18 0.00 -0.13 1.05 0.13 -1.99 -1.12 132.00 130.13 3g4x h PRO 66 Ca 0.61 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.52 3g4x h PRO 66 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 3g4x h PRO 66 CO -0.69 0.15 -0.74 0.45 -0.23 0.00 0.00 178.00 176.93 3g4x h HIS 67 N 0.00 1.00 0.00 1.56 3.86 -1.36 -1.63 115.15 118.57 3g4x h HIS 67 Ca -0.00 -0.45 -0.06 0.00 -1.16 0.00 0.00 60.37 58.69 3g4x h HIS 67 Cb 0.38 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3g4x h HIS 67 CO 0.00 1.28 -0.30 0.74 0.86 0.00 0.00 177.93 180.50 3g4x h PHE 68 N 0.44 0.00 -0.10 2.45 0.05 -1.03 0.47 116.94 119.22 3g4x h PHE 68 Ca -0.06 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.69 3g4x h PHE 68 Cb 1.38 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.33 3g4x h PHE 68 CO 0.10 0.30 -0.10 0.93 -0.18 0.00 0.00 178.31 179.36 3g4x h GLU 69 N 0.00 0.24 -0.00 1.51 5.08 -1.15 -3.15 114.58 117.11 3g4x h GLU 69 Ca -0.00 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 3g4x h GLU 69 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3g4x h GLU 69 CO 0.04 0.66 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.70 3g4x h LYS 70 N -0.18 0.03 -3.17 2.33 3.64 -0.98 -3.37 116.57 114.88 3g4x h LYS 70 Ca 0.02 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.73 3g4x h LYS 70 Cb 0.61 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.03 3g4x h LYS 70 CO 0.02 0.79 -0.54 0.71 -2.27 0.00 0.00 179.45 178.16 3g4x s TYR 71 N -3.26 3.52 -0.04 1.91 1.51 0.13 -4.96 117.35 116.17 3g4x s TYR 71 Ca -0.01 -3.28 0.31 0.00 -1.01 0.00 0.00 57.07 53.08 3g4x s TYR 71 Cb 0.11 -2.78 1.38 0.00 -0.11 0.00 0.00 41.96 40.56 3g4x s TYR 71 CO 0.79 -0.60 1.92 -1.00 -1.11 0.00 0.00 175.55 175.55 3g4x h PRO 72 N 5.70 0.00 -0.05 -1.71 0.13 -1.72 -1.89 132.00 132.46 3g4x h PRO 72 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3g4x h PRO 72 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3g4x h PRO 72 CO 0.72 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.64 3g4x n GLU 73 N -2.72 1.38 -0.04 0.86 0.00 -1.26 -4.47 120.64 114.40 3g4x n GLU 73 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 57.16 56.46 3g4x n GLU 73 Cb 0.22 -1.41 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 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 1.24 0.30 -0.70 -1.84 5.85 -1.67 -1.39 115.31 117.10 3g4x h LEU 74 Ca 0.00 -0.61 0.12 0.00 0.84 0.00 0.00 57.88 58.24 3g4x h LEU 74 Cb 0.27 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 3g4x h LEU 74 CO 0.00 0.86 -0.31 0.45 -0.34 0.00 0.00 178.44 179.10 3g4x h HIS 75 N -0.24 -0.83 -0.35 1.25 3.86 -1.80 -0.81 115.15 116.24 3g4x h HIS 75 Ca -0.01 0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3g4x h HIS 75 Cb 0.83 0.47 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 3g4x h HIS 75 CO 0.12 -0.37 -0.19 0.37 0.86 0.00 0.00 177.93 178.72 3g4x h GLN 76 N -0.10 0.65 -0.43 2.45 5.75 -1.83 -1.58 115.11 120.01 3g4x h GLN 76 Ca 0.28 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3g4x h GLN 76 Cb 0.56 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3g4x h GLN 76 CO -0.76 0.80 0.17 1.25 -2.65 0.00 0.00 178.83 177.64 3g4x h LEU 77 N 0.58 0.61 -0.60 -2.39 5.85 -0.82 0.15 115.31 118.69 3g4x h LEU 77 Ca 0.09 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3g4x h LEU 77 Cb 0.65 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3g4x h LEU 77 CO 0.05 0.62 0.29 0.58 -0.34 0.00 0.00 178.44 179.64 3g4x h VAL 78 N 0.56 1.21 -0.60 1.05 2.07 -0.95 0.86 116.25 120.44 3g4x h VAL 78 Ca 0.14 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3g4x h VAL 78 Cb 0.21 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3g4x h VAL 78 CO -0.01 0.24 0.26 -1.13 0.02 0.00 0.00 177.57 176.95 3g4x h ASN 79 N 0.82 0.81 -0.24 0.57 -0.73 -0.94 -1.54 115.58 114.34 3g4x h ASN 79 Ca 0.21 -0.15 -0.04 0.00 1.87 0.00 0.00 56.30 58.18 3g4x h ASN 79 Cb 0.11 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 3g4x h ASN 79 CO -0.03 0.74 0.02 0.44 -0.37 0.00 0.00 177.43 178.23 3g4x h ASP 80 N 0.83 0.47 -0.36 1.15 3.32 -0.39 -1.59 116.42 119.85 3g4x h ASP 80 Ca 0.20 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3g4x h ASP 80 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3g4x h ASP 80 CO -0.02 0.53 -0.06 0.74 -1.72 0.00 0.00 179.24 178.71 3g4x h THR 81 N 0.49 1.27 -0.63 0.35 2.02 -0.23 0.58 112.91 116.76 3g4x h THR 81 Ca 0.11 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 3g4x h THR 81 Cb 0.29 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3g4x h THR 81 CO 0.01 0.36 0.21 -0.07 0.37 0.00 0.00 175.52 176.40 3g4x h LEU 82 N 0.48 0.90 -0.72 2.58 3.38 -1.03 -0.96 115.31 119.95 3g4x h LEU 82 Ca 0.10 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3g4x h LEU 82 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3g4x h LEU 82 CO 0.03 0.86 -0.39 0.11 0.09 0.00 0.00 178.44 179.14 3g4x h LYS 83 N 0.90 0.54 -0.60 1.13 1.57 -1.17 -0.99 116.57 117.95 3g4x h LYS 83 Ca 0.21 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3g4x h LYS 83 Cb 0.27 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3g4x h LYS 83 CO -0.01 0.84 0.12 0.00 -0.57 0.00 0.00 179.45 179.83 3g4x h ALA 84 N 1.14 1.09 -0.63 3.86 0.00 -0.52 -0.09 119.26 124.10 3g4x h ALA 84 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3g4x h ALA 84 Cb 0.87 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3g4x h ALA 84 CO 0.07 0.60 0.22 -0.07 0.00 0.00 0.00 179.25 180.08 3g4x h LEU 85 N 0.90 0.90 -1.12 0.00 3.38 -0.75 -0.05 115.31 118.58 3g4x h LEU 85 Ca 0.19 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3g4x h LEU 85 Cb 0.36 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3g4x h LEU 85 CO 0.00 0.85 0.60 0.28 0.09 0.00 0.00 178.44 180.27 3g4x h SER 86 N 0.90 0.97 -0.38 -0.43 0.02 -0.89 -0.89 113.55 112.84 3g4x h SER 86 Ca 0.21 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 3g4x h SER 86 Cb 0.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3g4x h SER 86 CO -0.01 0.65 -0.35 0.00 -1.14 0.00 0.00 176.83 175.97 3g4x h ALA 87 N 1.48 0.61 -0.61 3.77 0.00 -0.67 -2.31 119.26 121.53 3g4x h ALA 87 Ca 0.38 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3g4x h ALA 87 Cb 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3g4x h ALA 87 CO -0.12 0.68 0.20 0.00 0.00 0.00 0.00 179.25 180.01 3g4x h ALA 88 N 0.81 0.77 -0.93 0.00 0.00 -0.82 -2.61 119.26 116.48 3g4x h ALA 88 Ca 0.07 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3g4x h ALA 88 Cb 0.94 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3g4x h ALA 88 CO 0.09 -0.22 0.56 0.87 0.00 0.00 0.00 179.25 180.55 3g4x h LYS 89 N 0.37 0.88 -0.18 0.00 1.57 -0.86 -2.63 116.57 115.71 3g4x h LYS 89 Ca 0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3g4x h LYS 89 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3g4x h LYS 89 CO -0.33 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 3g4x n GLY 90 N -1.34 0.07 2.97 3.86 0.00 -0.90 -4.85 105.19 105.01 3g4x n GLY 90 Ca 0.17 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.37 0.42 0.00 1.61 0.15 -0.99 -5.03 113.70 108.49 3g4x s SER 91 Ca 0.27 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.84 3g4x s SER 91 Cb 0.14 0.03 0.40 0.00 -1.71 0.00 0.00 66.02 64.88 3g4x s SER 91 CO 0.21 -0.13 1.34 0.29 1.20 0.00 0.00 173.24 176.14 3g4x n LYS 92 N 2.17 0.74 -2.79 5.44 5.02 -1.26 -4.88 118.16 122.59 3g4x n LYS 92 Ca -0.19 -0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 55.16 3g4x n LYS 92 Cb 0.57 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.62 6.89 0.67 4.39 2.15 -1.26 -4.64 116.67 122.25 3g4x s ASP 93 Ca 0.19 1.06 0.43 0.00 0.43 0.00 0.00 52.55 54.66 3g4x s ASP 93 Cb 0.18 -2.48 2.34 0.00 -0.30 0.00 0.00 42.92 42.66 3g4x s ASP 93 CO 0.60 -0.65 2.32 -0.65 -0.17 0.00 0.00 175.17 176.62 3g4x h PRO 94 N 7.78 0.00 -0.20 4.34 0.11 -1.89 0.11 132.00 142.26 3g4x h PRO 94 Ca -0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3g4x h PRO 94 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3g4x h PRO 94 CO 0.94 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.77 3g4x h ALA 95 N 1.92 1.71 -0.17 -0.75 0.00 -1.97 -0.46 119.26 119.54 3g4x h ALA 95 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3g4x h ALA 95 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g4x h ALA 95 CO -0.00 0.23 -0.28 1.79 0.00 0.00 0.00 179.25 180.99 3g4x h THR 96 N 0.28 1.35 -0.24 0.00 1.35 -1.36 -0.91 112.91 113.38 3g4x h THR 96 Ca 0.07 -1.50 0.04 0.00 -0.55 0.00 0.00 66.41 64.47 3g4x h THR 96 Cb 0.12 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 3g4x h THR 96 CO -0.00 0.45 -0.03 1.23 -0.25 0.00 0.00 175.52 176.92 3g4x h GLY 97 N 0.13 0.20 0.56 5.82 0.00 -1.59 -2.40 103.07 105.77 3g4x h GLY 97 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3g4x h GLY 97 CO 0.06 -0.07 0.24 -1.61 0.00 0.00 0.00 176.54 175.16 3g4x h GLN 98 N 0.03 0.43 -0.95 4.80 5.75 -1.04 -1.31 115.11 122.82 3g4x h GLN 98 Ca 0.11 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.69 3g4x h GLN 98 Cb 0.16 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.54 3g4x h GLN 98 CO -0.22 0.29 0.59 -0.22 -2.65 0.00 0.00 178.83 176.61 3g4x h LYS 99 N 0.44 0.93 -0.52 1.69 1.63 -0.97 0.09 116.57 119.86 3g4x h LYS 99 Ca 0.26 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3g4x h LYS 99 Cb 0.25 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3g4x h LYS 99 CO -0.23 0.62 0.19 0.00 -3.45 0.00 0.00 179.45 176.57 3g4x h ALA 100 N 1.50 0.68 -0.40 5.00 0.00 -0.88 -1.67 119.26 123.50 3g4x h ALA 100 Ca 0.46 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3g4x h ALA 100 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g4x h ALA 100 CO -0.25 0.32 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 3g4x h LEU 101 N 0.71 0.57 -0.26 0.00 3.38 -0.51 -0.45 115.31 118.75 3g4x h LEU 101 Ca 0.17 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3g4x h LEU 101 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3g4x h LEU 101 CO -0.01 0.61 -0.15 0.44 0.09 0.00 0.00 178.44 179.42 3g4x h ASP 102 N 0.59 0.59 -0.15 -0.43 3.45 -0.48 -0.76 116.42 119.24 3g4x h ASP 102 Ca 0.13 -0.42 0.03 0.00 0.43 0.00 0.00 57.03 57.20 3g4x h ASP 102 Cb 0.31 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.89 3g4x h ASP 102 CO 0.01 0.88 -0.04 1.88 -1.57 0.00 0.00 179.24 180.40 3g4x h TYR 103 N 0.29 -0.08 -0.92 4.55 0.99 -1.06 -2.66 116.97 118.08 3g4x h TYR 103 Ca 0.06 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.86 3g4x h TYR 103 Cb 0.67 0.06 -0.06 0.00 1.00 0.00 0.00 36.73 38.40 3g4x h TYR 103 CO 0.06 -0.06 0.60 0.82 -0.00 0.00 0.00 178.16 179.58 3g4x h ILE 104 N 0.00 1.08 -0.40 -2.88 2.04 -0.96 -1.37 117.51 115.02 3g4x h ILE 104 Ca 0.07 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3g4x h ILE 104 Cb 0.11 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 3g4x h ILE 104 CO -0.15 0.19 0.27 0.00 0.00 0.00 0.00 178.15 178.46 3g4x h ALA 105 N 1.50 1.82 -0.26 1.87 0.00 -0.91 -0.16 119.26 123.12 3g4x h ALA 105 Ca 0.40 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 3g4x h ALA 105 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g4x h ALA 105 CO -0.15 0.14 -0.56 1.96 0.00 0.00 0.00 179.25 180.64 3g4x h GLN 106 N 0.45 0.79 -0.89 0.00 4.20 -0.94 -2.79 115.11 115.94 3g4x h GLN 106 Ca 0.16 -0.51 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 3g4x h GLN 106 Cb 0.08 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3g4x h GLN 106 CO -0.04 1.14 0.47 0.82 -0.67 0.00 0.00 178.83 180.55 3g4x h ILE 107 N 0.60 1.26 -0.57 2.54 2.04 -0.65 -2.69 117.51 120.04 3g4x h ILE 107 Ca 0.01 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 3g4x h ILE 107 Cb 1.16 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3g4x h ILE 107 CO 0.12 0.30 -0.02 -0.78 0.00 0.00 0.00 178.15 177.76 3g4x h ASP 108 N 1.25 1.00 -0.27 1.72 3.58 -0.99 0.13 116.42 122.84 3g4x h ASP 108 Ca 0.31 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3g4x h ASP 108 Cb 0.05 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3g4x h ASP 108 CO -0.05 1.08 0.13 0.50 -2.88 0.00 0.00 179.24 178.02 3g4x h LYS 109 N 0.90 0.38 -0.02 0.28 3.64 -1.40 -1.31 116.57 119.05 3g4x h LYS 109 Ca 0.16 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3g4x h LYS 109 Cb 0.58 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3g4x h LYS 109 CO 0.03 0.37 0.01 0.82 -2.27 0.00 0.00 179.45 178.41 3g4x h ILE 110 N 0.30 1.11 -0.43 2.00 2.04 -1.21 -1.20 117.51 120.13 3g4x h ILE 110 Ca 0.09 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.68 3g4x h ILE 110 Cb 0.11 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 3g4x h ILE 110 CO -0.01 0.09 -0.49 0.15 0.00 0.00 0.00 178.15 177.89 3g4x h PHE 111 N -0.10 -1.45 -0.21 1.37 3.57 -0.65 -1.39 116.94 118.08 3g4x h PHE 111 Ca 0.01 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3g4x h PHE 111 Cb 0.14 0.69 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3g4x h PHE 111 CO -0.03 -0.46 -0.11 -1.49 -2.23 0.00 0.00 178.31 173.98 3g4x h TRP 112 N -0.35 0.35 -0.86 0.41 4.06 -1.09 -1.67 115.95 116.80 3g4x h TRP 112 Ca 0.12 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 3g4x h TRP 112 Cb 0.59 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 3g4x h TRP 112 CO -0.68 0.44 0.45 0.93 -3.56 0.00 0.00 178.44 176.03 3g4x h GLU 113 N 0.31 1.21 0.00 0.49 5.08 -0.60 -2.16 114.58 118.91 3g4x h GLU 113 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3g4x h GLU 113 Cb 0.40 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3g4x h GLU 113 CO 0.02 0.90 0.00 1.79 -1.00 0.00 0.00 179.01 180.72 3g4x h THR 114 N 1.21 0.00 0.00 1.13 1.35 -0.41 -2.66 112.91 113.53 3g4x h THR 114 Ca 0.30 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3g4x h THR 114 Cb 0.06 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3g4x h THR 114 CO -0.05 0.00 -0.31 0.11 -0.25 0.00 0.00 175.52 175.03 3g4x h LYS 115 N 0.00 0.00 -6.32 4.72 1.79 -0.71 -3.44 116.57 112.60 3g4x h LYS 115 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 3g4x h LYS 115 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 3g4x h LYS 115 CO 0.00 0.00 0.81 0.21 -1.08 0.00 0.00 179.45 179.39 3g4x s LYS 116 N -3.23 4.29 0.00 3.15 2.20 -0.96 -5.10 119.74 120.09 3g4x s LYS 116 Ca 0.05 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3g4x s LYS 116 Cb 0.08 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3g4x s LYS 116 CO 0.70 -0.56 0.00 0.00 -0.36 0.00 0.00 175.35 175.12