#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8h h LEU 2 N 0.00 0.00 0.09 1.04 3.38 -1.25 -1.62 115.31 116.96 3g8h h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g8h h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3g8h h LEU 2 CO 0.00 0.00 -0.05 0.25 0.09 0.00 0.00 178.44 178.73 3g8h h LEU 3 N 0.00 -0.11 -0.80 1.67 6.46 -1.97 -1.27 115.31 119.30 3g8h h LEU 3 Ca 0.03 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3g8h h LEU 3 Cb 0.15 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 3g8h h LEU 3 CO -0.00 -0.08 0.04 -0.33 -0.62 0.00 0.00 178.44 177.44 3g8h h GLU 4 N -0.13 0.94 -0.46 1.25 3.07 -1.71 -2.80 114.58 114.74 3g8h h GLU 4 Ca -0.01 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3g8h h GLU 4 Cb 0.10 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3g8h h GLU 4 CO 0.02 0.91 0.28 0.35 -1.40 0.00 0.00 179.01 179.17 3g8h h PHE 5 N 0.88 0.61 -0.54 4.33 3.57 -1.16 0.05 116.94 124.68 3g8h h PHE 5 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3g8h h PHE 5 Cb 0.47 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3g8h h PHE 5 CO 0.03 0.43 0.36 0.78 -2.23 0.00 0.00 178.31 177.67 3g8h h GLY 6 N 0.61 0.76 1.35 2.40 0.00 -1.11 -1.17 103.07 105.91 3g8h h GLY 6 Ca 0.17 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3g8h h GLY 6 CO -0.03 0.28 -0.01 -0.33 0.00 0.00 0.00 176.54 176.44 3g8h h MET 7 N 0.73 0.79 -0.47 4.80 2.86 -1.20 -1.93 114.93 120.50 3g8h h MET 7 Ca 0.20 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3g8h h MET 7 Cb -0.08 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3g8h h MET 7 CO -0.05 0.81 -0.01 1.98 1.06 0.00 0.00 176.91 180.70 3g8h h MET 8 N 0.73 0.84 -0.12 1.72 -1.53 -0.50 0.07 114.93 116.14 3g8h h MET 8 Ca 0.14 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 56.13 3g8h h MET 8 Cb 0.47 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 3g8h h MET 8 CO 0.02 0.89 0.07 0.82 0.14 0.00 0.00 176.91 178.85 3g8h h ILE 9 N 0.69 1.07 -0.47 1.77 2.04 -1.07 -0.61 117.51 120.93 3g8h h ILE 9 Ca 0.13 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3g8h h ILE 9 Cb 0.52 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3g8h h ILE 9 CO 0.03 0.07 0.25 0.25 0.00 0.00 0.00 178.15 178.74 3g8h h LEU 10 N 0.12 0.37 -1.25 1.44 5.85 -1.25 -0.93 115.31 119.67 3g8h h LEU 10 Ca 0.04 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3g8h h LEU 10 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3g8h h LEU 10 CO -0.01 0.26 -0.37 1.23 -0.34 0.00 0.00 178.44 179.22 3g8h h GLY 11 N 0.49 0.00 0.51 3.75 0.00 -0.72 0.06 103.07 107.17 3g8h h GLY 11 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.18 3g8h h GLY 11 CO -0.13 0.00 -2.06 -2.21 0.00 0.00 0.00 176.54 172.14 3g8h n GLU 12 N -3.98 0.69 -0.06 4.80 4.07 -0.26 -4.50 120.64 121.39 3g8h n GLU 12 Ca -0.02 0.21 -0.07 0.00 -0.06 0.00 0.00 57.16 57.22 3g8h n GLU 12 Cb 0.42 -1.67 -0.15 0.00 -0.06 0.00 0.00 31.44 29.98 3g8h n GLU 12 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3g8h n THR 13 N -3.17 1.29 -0.85 6.31 -2.24 -0.37 -4.79 114.28 110.46 3g8h n THR 13 Ca -0.30 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 3g8h n THR 13 Cb 1.06 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3g8h n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g8h n GLY 14 N 1.64 0.90 3.70 3.38 0.00 0.01 -5.02 105.19 109.79 3g8h n GLY 14 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3g8h n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g8h s LYS 15 N -0.15 2.98 -0.03 1.61 -0.14 -1.26 -5.03 119.74 117.73 3g8h s LYS 15 Ca 0.00 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 3g8h s LYS 15 Cb 0.00 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.28 3g8h s LYS 15 CO 0.00 0.69 1.83 1.21 -0.76 0.00 0.00 175.35 178.31 3g8h s ASN 16 N -1.07 6.50 0.53 2.83 3.84 -1.26 -3.88 114.94 122.43 3g8h s ASN 16 Ca 0.15 2.40 0.27 0.00 0.21 0.00 0.00 52.86 55.89 3g8h s ASN 16 Cb -0.11 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.57 3g8h s ASN 16 CO 0.05 -1.05 2.11 1.55 -2.79 0.00 0.00 177.10 176.98 3g8h h PRO 17 N 10.33 0.00 0.00 0.43 0.13 -1.92 -1.73 132.00 139.24 3g8h h PRO 17 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 3g8h h PRO 17 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3g8h h PRO 17 CO 0.95 0.09 -0.47 -0.07 -0.23 0.00 0.00 178.00 178.27 3g8h h LEU 18 N 0.00 0.00 0.00 1.56 3.38 -1.92 -0.61 115.31 117.72 3g8h h LEU 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g8h h LEU 18 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3g8h h LEU 18 CO 0.01 0.47 -1.79 0.35 0.09 0.00 0.00 178.44 177.57 3g8h n THR 19 N -3.87 0.00 -0.04 0.22 -2.24 -0.91 -4.41 114.28 103.03 3g8h n THR 19 Ca -0.01 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3g8h n THR 19 Cb 0.51 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 3g8h n THR 19 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3g8h n SER 20 N -2.10 2.87 -0.16 3.42 7.64 -0.70 -4.82 113.62 119.77 3g8h n SER 20 Ca -0.03 -0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.91 3g8h n SER 20 Cb 0.50 0.67 0.08 0.00 -1.01 0.00 0.00 64.21 64.46 3g8h n SER 20 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3g8h n TYR 21 N -2.34 0.00 0.20 1.43 4.01 -0.27 -4.77 117.16 115.42 3g8h n TYR 21 Ca -0.14 -0.65 0.04 0.00 -0.16 0.00 0.00 57.90 56.98 3g8h n TYR 21 Cb 0.78 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.66 3g8h n TYR 21 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3g8h n SER 22 N -0.91 1.55 -3.10 7.72 7.64 -0.99 -4.23 113.62 121.29 3g8h n SER 22 Ca 0.09 -0.40 -0.19 0.00 1.01 0.00 0.00 58.87 59.39 3g8h n SER 22 Cb 0.59 1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 64.89 3g8h n SER 22 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3g8h n PHE 23 N -1.41 -1.72 -3.72 1.43 -0.00 -1.05 -3.85 117.46 107.14 3g8h n PHE 23 Ca 0.00 -2.76 -0.18 0.00 -0.00 0.00 0.00 57.45 54.52 3g8h n PHE 23 Cb 0.14 0.53 -0.17 0.00 -0.00 0.00 0.00 39.48 39.98 3g8h n PHE 23 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 3g8h s TYR 24 N -0.06 0.05 0.00 -5.13 6.14 0.26 -0.78 117.35 117.82 3g8h s TYR 24 Ca 0.33 0.19 0.00 0.00 0.64 0.00 0.00 57.07 58.23 3g8h s TYR 24 Cb 0.10 -0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.11 3g8h s TYR 24 CO -0.15 -0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.30 3g8h n GLY 25 N 4.77 0.69 0.04 8.97 0.00 -0.15 -1.69 105.19 117.81 3g8h n GLY 25 Ca -0.15 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.22 3g8h n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8h n TYR 27 N -2.16 0.00 -2.86 0.00 4.01 -1.25 -3.05 117.16 111.85 3g8h n TYR 27 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 3g8h n TYR 27 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 3g8h n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g8h n GLY 29 N 5.61 0.08 3.76 0.00 0.00 -1.25 -0.58 105.19 112.81 3g8h n GLY 29 Ca 0.27 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3g8h n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g8h s VAL 30 N -2.35 2.50 0.00 1.61 1.01 -1.26 -4.61 120.40 117.30 3g8h s VAL 30 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3g8h s VAL 30 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3g8h s VAL 30 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3g8h n GLY 31 N 1.61 2.50 0.00 4.51 0.00 -1.26 -4.94 105.19 107.60 3g8h n GLY 31 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3g8h n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g8h n GLY 32 N 0.00 3.50 3.59 -0.02 0.00 -1.26 -4.84 105.19 106.16 3g8h n GLY 32 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3g8h n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g8h s LYS 33 N -3.04 1.50 2.45 1.61 -2.85 -1.17 -5.01 119.74 113.23 3g8h s LYS 33 Ca 0.00 -1.07 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 3g8h s LYS 33 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 3g8h s LYS 33 CO 0.00 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.23 3g8h n GLY 34 N -0.37 -0.84 3.75 0.59 0.00 -1.24 -4.75 105.19 102.32 3g8h n GLY 34 Ca -0.05 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 3g8h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g8h s THR 35 N 0.00 5.36 0.36 2.61 2.01 -1.26 -3.26 115.64 121.46 3g8h s THR 35 Ca 0.00 0.36 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 3g8h s THR 35 Cb 0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 68.85 3g8h s THR 35 CO 0.00 0.44 1.21 -2.65 -0.69 0.00 0.00 174.62 172.93 3g8h n PRO 36 N 3.35 1.88 0.08 4.92 -0.02 -1.26 -4.75 135.00 139.21 3g8h n PRO 36 Ca -0.15 0.66 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 3g8h n PRO 36 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3g8h n PRO 36 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3g8h h LYS 37 N 2.24 0.02 0.00 -0.52 1.79 -1.96 -3.47 116.57 114.66 3g8h h LYS 37 Ca -0.45 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 3g8h h LYS 37 Cb 1.30 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3g8h h LYS 37 CO 0.61 0.91 0.15 -0.40 -1.08 0.00 0.00 179.45 179.63 3g8h n ASP 38 N -3.48 -0.72 -0.16 0.86 5.75 -1.26 -5.03 116.55 112.52 3g8h n ASP 38 Ca -0.01 -1.45 -0.10 0.00 -0.01 0.00 0.00 54.79 53.23 3g8h n ASP 38 Cb 0.86 1.19 -0.00 0.00 -1.03 0.00 0.00 41.12 42.13 3g8h n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g8h h ALA 39 N 2.00 0.60 -0.33 2.12 0.00 -1.94 -0.43 119.26 121.29 3g8h h ALA 39 Ca -0.11 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3g8h h ALA 39 Cb 0.43 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3g8h h ALA 39 CO 0.14 0.34 0.10 1.15 0.00 0.00 0.00 179.25 180.98 3g8h h THR 40 N 0.61 0.89 -0.99 0.00 2.02 -1.91 -0.84 112.91 112.69 3g8h h THR 40 Ca 0.13 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3g8h h THR 40 Cb 0.41 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3g8h h THR 40 CO 0.01 0.04 0.64 -0.78 0.37 0.00 0.00 175.52 175.80 3g8h h ASP 41 N 0.23 1.15 -0.21 4.18 3.58 -1.83 -1.65 116.42 121.88 3g8h h ASP 41 Ca 0.15 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3g8h h ASP 41 Cb 0.13 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3g8h h ASP 41 CO -0.16 0.85 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.95 3g8h h ARG 42 N 1.35 0.50 -0.76 0.28 2.43 -0.43 -1.45 114.38 116.30 3g8h h ARG 42 Ca 0.36 -0.10 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 3g8h h ARG 42 Cb -0.13 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.26 3g8h h ARG 42 CO -0.07 0.53 0.33 0.00 -1.51 0.00 0.00 179.97 179.25 3g8h h PHE 45 N 0.07 -0.09 -0.79 0.00 3.57 -0.92 -0.48 116.94 118.30 3g8h h PHE 45 Ca 0.05 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3g8h h PHE 45 Cb 0.42 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3g8h h PHE 45 CO 0.04 -0.11 0.30 0.28 -2.23 0.00 0.00 178.31 176.58 3g8h h VAL 46 N 0.07 1.26 -0.59 1.41 2.07 -0.92 -0.97 116.25 118.58 3g8h h VAL 46 Ca 0.20 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3g8h h VAL 46 Cb 0.29 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3g8h h VAL 46 CO -0.36 0.34 0.23 -0.74 0.02 0.00 0.00 177.57 177.06 3g8h h HIS 47 N 1.15 0.90 -0.53 1.57 -0.00 -0.78 0.24 115.15 117.70 3g8h h HIS 47 Ca 0.26 -0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.61 3g8h h HIS 47 Cb 0.24 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 3g8h h HIS 47 CO 0.02 0.73 0.26 -0.44 -0.00 0.00 0.00 177.93 178.50 3g8h h ASP 48 N 0.81 0.36 -0.96 3.26 3.32 -0.71 -1.21 116.42 121.29 3g8h h ASP 48 Ca 0.19 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3g8h h ASP 48 Cb 0.21 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3g8h h ASP 48 CO -0.01 0.24 0.64 0.00 -1.72 0.00 0.00 179.24 178.39 3g8h h TYR 51 N 0.30 0.93 0.00 0.00 -1.99 -1.12 -2.94 116.97 112.14 3g8h h TYR 51 Ca 0.09 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3g8h h TYR 51 Cb 0.38 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 3g8h h TYR 51 CO 0.03 0.77 -0.04 0.78 -0.00 0.00 0.00 178.16 179.70 3g8h h GLY 52 N 0.82 0.00 0.64 3.88 0.00 -0.78 -0.89 103.07 106.74 3g8h h GLY 52 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3g8h h GLY 52 CO -0.01 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.52 3g8h n ASN 53 N -3.98 0.00 -2.84 0.19 4.05 -0.73 -4.14 115.26 107.81 3g8h n ASN 53 Ca -0.03 -1.27 -0.26 0.00 0.45 0.00 0.00 54.58 53.47 3g8h n ASN 53 Cb 0.13 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.11 3g8h n ASN 53 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3g8h n LEU 54 N -0.82 4.20 0.27 1.20 4.77 -0.34 -4.86 117.00 121.42 3g8h n LEU 54 Ca 0.14 -5.48 0.16 0.00 -0.03 0.00 0.00 56.01 50.81 3g8h n LEU 54 Cb 0.07 -0.42 0.70 0.00 -2.33 0.00 0.00 43.42 41.44 3g8h n LEU 54 CO 0.11 2.31 0.98 1.55 -1.33 0.00 0.00 177.39 181.00 3g8h h PRO 55 N 2.89 0.00 0.00 3.23 0.13 -1.77 -1.53 132.00 134.94 3g8h h PRO 55 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3g8h h PRO 55 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3g8h h PRO 55 CO 0.80 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 3g8h n ASP 56 N -3.19 0.00 -4.62 1.44 5.75 -1.26 -4.87 116.55 109.79 3g8h n ASP 56 Ca -0.00 -0.23 -0.31 0.00 -0.01 0.00 0.00 54.79 54.23 3g8h n ASP 56 Cb 0.30 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 3g8h n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g8h n SER 58 N -1.28 1.93 0.05 0.00 7.64 -1.26 -4.99 113.62 115.71 3g8h n SER 58 Ca -0.16 -3.01 0.06 0.00 1.01 0.00 0.00 58.87 56.76 3g8h n SER 58 Cb 0.67 -0.66 0.48 0.00 -1.01 0.00 0.00 64.21 63.69 3g8h n SER 58 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3g8h h PRO 59 N 4.71 0.40 0.00 1.43 0.11 -1.92 -0.15 132.00 136.57 3g8h h PRO 59 Ca 0.17 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3g8h h PRO 59 Cb 0.78 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3g8h h PRO 59 CO 0.63 0.26 -0.22 0.87 -0.21 0.00 0.00 178.00 179.34 3g8h h LYS 60 N 0.41 0.00 0.00 1.05 1.57 -1.94 -3.32 116.57 114.34 3g8h h LYS 60 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3g8h h LYS 60 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3g8h h LYS 60 CO -0.03 0.22 -0.42 0.25 -0.57 0.00 0.00 179.45 178.90 3g8h n THR 61 N -3.23 0.00 -2.73 -0.16 -2.24 -0.89 -1.00 114.28 104.03 3g8h n THR 61 Ca 0.02 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 3g8h n THR 61 Cb 0.53 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 3g8h n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g8h s ASP 62 N -1.41 6.63 0.59 3.42 -1.08 -0.12 -4.75 116.67 119.95 3g8h s ASP 62 Ca 0.00 0.43 -0.18 0.00 -0.52 0.00 0.00 52.55 52.28 3g8h s ASP 62 Cb 0.00 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 3g8h s ASP 62 CO 0.00 -1.06 1.13 -0.13 0.52 0.00 0.00 175.17 175.63 3g8h s ARG 63 N 3.92 3.11 0.19 4.34 1.81 -1.26 -0.34 118.95 130.72 3g8h s ARG 63 Ca 0.42 1.54 -0.11 0.00 -1.72 0.00 0.00 55.73 55.86 3g8h s ARG 63 Cb -0.10 -1.98 -0.00 0.00 -0.45 0.00 0.00 34.95 32.42 3g8h s ARG 63 CO 0.25 -1.03 0.38 1.52 -0.68 0.00 0.00 175.30 175.74 3g8h s TYR 64 N -1.97 0.30 0.03 -0.53 -0.85 -1.26 -4.78 117.35 108.29 3g8h s TYR 64 Ca 0.71 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 3g8h s TYR 64 Cb -0.23 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 3g8h s TYR 64 CO 0.33 -0.83 0.04 0.15 -1.52 0.00 0.00 175.55 173.73 3g8h s LYS 65 N -3.96 2.85 0.16 -3.49 1.02 -1.26 -4.90 119.74 110.15 3g8h s LYS 65 Ca 0.17 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 3g8h s LYS 65 Cb 0.02 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3g8h s LYS 65 CO 0.02 0.60 0.21 1.52 -0.92 0.00 0.00 175.35 176.79 3g8h s TYR 66 N -1.23 0.58 0.11 3.18 1.13 -1.26 -0.66 117.35 119.20 3g8h s TYR 66 Ca 0.24 -0.94 -0.00 0.00 -1.41 0.00 0.00 57.07 54.96 3g8h s TYR 66 Cb -0.12 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 3g8h s TYR 66 CO 0.16 -0.66 0.16 -2.39 -2.51 0.00 0.00 175.55 170.30 3g8h n HIS 67 N -0.19 -0.74 -4.78 -3.49 1.44 -0.42 -4.89 115.22 102.17 3g8h n HIS 67 Ca -0.06 -0.78 -0.30 0.00 -2.01 0.00 0.00 57.72 54.57 3g8h n HIS 67 Cb 0.63 0.18 -0.14 0.00 0.12 0.00 0.00 29.99 30.78 3g8h n HIS 67 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3g8h s ARG 68 N -2.27 1.84 -0.09 -1.40 0.52 -1.26 -0.53 118.95 115.76 3g8h s ARG 68 Ca 0.10 -1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 54.21 3g8h s ARG 68 Cb -0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3g8h s ARG 68 CO 0.07 0.51 -0.05 -1.21 0.02 0.00 0.00 175.30 174.64 3g8h s GLU 69 N -1.39 1.16 -1.46 3.54 2.02 -0.24 -4.80 118.70 117.53 3g8h s GLU 69 Ca 0.13 -0.12 -0.08 0.00 0.02 0.00 0.00 54.97 54.91 3g8h s GLU 69 Cb -0.10 -1.31 0.05 0.00 0.10 0.00 0.00 34.13 32.88 3g8h s GLU 69 CO 0.03 -0.25 0.81 -1.71 0.02 0.00 0.00 175.26 174.16 3g8h n ASN 70 N 4.89 -2.97 0.00 -0.19 4.05 -1.26 -2.23 115.26 117.56 3g8h n ASN 70 Ca -0.12 -0.84 0.00 0.00 0.45 0.00 0.00 54.58 54.07 3g8h n ASN 70 Cb 0.50 -3.74 0.00 0.00 1.23 0.00 0.00 39.78 37.77 3g8h n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3g8h n GLY 71 N -1.67 2.86 3.85 8.20 0.00 -1.26 -5.01 105.19 112.16 3g8h n GLY 71 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3g8h n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8h s ALA 72 N -2.79 3.79 0.14 4.61 0.00 -0.95 -5.01 121.76 121.56 3g8h s ALA 72 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3g8h s ALA 72 Cb 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.25 3g8h s ALA 72 CO 0.00 0.71 1.73 0.42 0.00 0.00 0.00 175.76 178.62 3g8h s ILE 73 N -1.24 2.51 -0.16 0.00 1.01 -1.26 -1.08 121.20 120.98 3g8h s ILE 73 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.08 3g8h s ILE 73 Cb -0.12 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.26 3g8h s ILE 73 CO 0.15 0.01 -0.11 -0.69 0.00 0.00 0.00 174.94 174.30 3g8h s VAL 74 N 2.05 1.46 0.32 2.92 1.01 0.31 -4.89 120.40 123.60 3g8h s VAL 74 Ca 0.76 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 3g8h s VAL 74 Cb -0.45 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 3g8h s VAL 74 CO 0.34 0.33 1.39 0.00 0.00 0.00 0.00 175.10 177.15 3g8h s GLY 76 N -0.18 1.57 -0.58 0.00 0.00 0.17 -4.89 107.32 103.41 3g8h s GLY 76 Ca 0.53 -0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.84 3g8h s GLY 76 CO 0.53 0.44 0.79 0.54 0.00 0.00 0.00 173.10 175.40 3g8h s LYS 77 N -4.75 3.13 0.00 2.90 1.02 -1.26 -4.79 119.74 116.00 3g8h s LYS 77 Ca 0.66 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.77 3g8h s LYS 77 Cb -0.21 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 32.93 3g8h s LYS 77 CO 0.60 -1.50 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 3g8h n GLY 78 N 5.23 7.47 3.57 -3.33 0.00 -1.26 -5.05 105.19 111.82 3g8h n GLY 78 Ca -0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 3g8h n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g8h s THR 79 N 0.71 2.11 0.25 2.61 -4.23 -1.26 -4.70 115.64 111.13 3g8h s THR 79 Ca 0.00 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 3g8h s THR 79 Cb 0.00 -2.14 0.23 0.00 1.34 0.00 0.00 72.50 71.93 3g8h s THR 79 CO 0.00 -0.05 1.87 -1.28 -0.54 0.00 0.00 174.62 174.63 3g8h h SER 80 N -2.27 0.95 0.07 3.99 0.87 -2.00 0.86 113.55 116.02 3g8h h SER 80 Ca -0.55 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 3g8h h SER 80 Cb 1.31 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3g8h h SER 80 CO 0.48 0.63 -0.03 0.00 -0.53 0.00 0.00 176.83 177.38 3g8h h GLU 82 N -0.14 0.76 -0.45 0.00 5.08 -1.76 0.97 114.58 119.04 3g8h h GLU 82 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3g8h h GLU 82 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3g8h h GLU 82 CO 0.02 0.50 0.26 -0.91 -1.00 0.00 0.00 179.01 177.87 3g8h h ASN 83 N 0.78 0.55 -0.27 1.42 2.35 -0.66 -0.07 115.58 119.67 3g8h h ASN 83 Ca 0.32 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.81 3g8h h ASN 83 Cb 0.17 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3g8h h ASN 83 CO -0.17 0.46 -0.52 0.03 -1.65 0.00 0.00 177.43 175.58 3g8h h ARG 84 N 0.59 0.86 -0.17 0.81 3.08 -0.74 -1.62 114.38 117.19 3g8h h ARG 84 Ca 0.16 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3g8h h ARG 84 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3g8h h ARG 84 CO -0.03 1.17 0.06 0.82 -1.07 0.00 0.00 179.97 180.92 3g8h h ILE 85 N 0.67 1.17 -0.74 2.04 2.04 -0.72 -2.00 117.51 119.97 3g8h h ILE 85 Ca 0.02 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.43 3g8h h ILE 85 Cb 1.13 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 3g8h h ILE 85 CO 0.12 0.16 0.43 0.00 0.00 0.00 0.00 178.15 178.86 3g8h h GLU 87 N 0.78 1.02 -0.30 0.00 4.57 -1.10 0.16 114.58 119.70 3g8h h GLU 87 Ca 0.33 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3g8h h GLU 87 Cb 0.20 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3g8h h GLU 87 CO -0.19 0.83 0.12 0.00 -1.18 0.00 0.00 179.01 178.60 3g8h h ASP 89 N 0.27 0.67 -0.32 0.00 3.32 -0.93 -2.17 116.42 117.26 3g8h h ASP 89 Ca 0.13 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.85 3g8h h ASP 89 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3g8h h ASP 89 CO -0.12 0.86 0.17 -0.09 -1.72 0.00 0.00 179.24 178.34 3g8h h ARG 90 N 0.46 0.34 -0.89 3.56 2.43 -0.61 -0.45 114.38 119.22 3g8h h ARG 90 Ca 0.09 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3g8h h ARG 90 Cb 0.56 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 3g8h h ARG 90 CO 0.03 0.22 0.59 0.00 -1.51 0.00 0.00 179.97 179.30 3g8h h ALA 91 N 1.16 1.16 -0.23 2.80 0.00 -1.18 -1.54 119.26 121.42 3g8h h ALA 91 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3g8h h ALA 91 Cb 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3g8h h ALA 91 CO -0.08 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.48 3g8h h ALA 92 N 1.35 0.34 -0.80 0.00 0.00 -0.97 -0.84 119.26 118.33 3g8h h ALA 92 Ca 0.34 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g8h h ALA 92 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3g8h h ALA 92 CO -0.09 0.25 0.53 0.00 0.00 0.00 0.00 179.25 179.94 3g8h h ALA 93 N 0.69 1.02 -0.59 0.00 0.00 -0.88 0.28 119.26 119.77 3g8h h ALA 93 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3g8h h ALA 93 Cb 0.71 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3g8h h ALA 93 CO 0.05 0.42 -0.01 0.82 0.00 0.00 0.00 179.25 180.53 3g8h h ILE 94 N 1.08 1.26 -0.39 0.00 2.04 -1.23 -1.73 117.51 118.54 3g8h h ILE 94 Ca 0.29 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3g8h h ILE 94 Cb -0.12 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3g8h h ILE 94 CO -0.07 0.42 0.26 0.00 0.00 0.00 0.00 178.15 178.76 3g8h h PHE 96 N 0.53 0.35 -0.45 0.00 0.04 -0.73 -1.98 116.94 114.70 3g8h h PHE 96 Ca 0.14 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3g8h h PHE 96 Cb -0.06 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 3g8h h PHE 96 CO -0.05 0.25 0.21 -0.09 -0.60 0.00 0.00 178.31 178.03 3g8h h ARG 97 N 0.35 0.40 0.00 1.51 2.43 -0.74 -1.79 114.38 116.54 3g8h h ARG 97 Ca 0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3g8h h ARG 97 Cb -0.00 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3g8h h ARG 97 CO -0.02 0.26 -0.03 0.87 -1.51 0.00 0.00 179.97 179.54 3g8h h LYS 98 N 0.41 0.00 -0.30 0.20 1.57 -0.60 -2.81 116.57 115.05 3g8h h LYS 98 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3g8h h LYS 98 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3g8h h LYS 98 CO -0.16 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.84 3g8h n ASN 99 N -3.22 3.15 -0.27 0.86 3.02 -0.77 -4.53 115.26 113.50 3g8h n ASN 99 Ca -0.01 -2.32 0.15 0.00 -0.03 0.00 0.00 54.58 52.37 3g8h n ASN 99 Cb 0.22 -0.31 0.43 0.00 -0.61 0.00 0.00 39.78 39.50 3g8h n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3g8h h LEU 100 N 1.81 0.56 -2.87 3.41 3.38 -1.07 -1.65 115.31 118.88 3g8h h LEU 100 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g8h h LEU 100 Cb 0.93 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3g8h h LEU 100 CO 0.07 0.25 0.00 0.07 0.09 0.00 0.00 178.44 178.91 3g8h h LYS 101 N 0.57 0.00 -0.05 1.13 2.10 -1.83 -1.82 116.57 116.67 3g8h h LYS 101 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3g8h h LYS 101 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3g8h h LYS 101 CO -0.22 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.48 3g8h n THR 102 N -3.04 1.02 -1.68 0.07 -2.24 -0.65 -5.03 114.28 102.73 3g8h n THR 102 Ca -0.03 -1.02 -0.45 0.00 -2.27 0.00 0.00 64.05 60.28 3g8h n THR 102 Cb 0.08 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3g8h n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g8h n TYR 103 N -0.36 2.31 -3.82 4.78 4.19 -0.69 -4.91 117.16 118.65 3g8h n TYR 103 Ca 0.02 0.35 -0.27 0.00 3.31 0.00 0.00 57.90 61.31 3g8h n TYR 103 Cb 0.29 -2.51 -0.17 0.00 0.49 0.00 0.00 39.34 37.44 3g8h n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3g8h s ASN 104 N 0.50 2.71 0.60 2.98 3.84 -1.26 -5.00 114.94 119.31 3g8h s ASN 104 Ca 0.70 -0.65 0.28 0.00 0.21 0.00 0.00 52.86 53.41 3g8h s ASN 104 Cb -0.63 -0.75 1.32 0.00 -0.55 0.00 0.00 41.25 40.64 3g8h s ASN 104 CO 0.46 -0.23 1.71 1.88 -2.79 0.00 0.00 177.10 178.13 3g8h h TYR 105 N 8.18 0.00 -0.04 0.43 -1.99 -1.99 -0.98 116.97 120.58 3g8h h TYR 105 Ca -0.20 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.54 3g8h h TYR 105 Cb 1.11 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.84 3g8h h TYR 105 CO 0.40 0.00 0.04 0.97 -0.00 0.00 0.00 178.16 179.57 3g8h h ILE 106 N 0.00 0.76 -0.00 -2.88 6.09 -2.01 -1.33 117.51 118.13 3g8h h ILE 106 Ca 0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 3g8h h ILE 106 Cb 1.73 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.99 3g8h h ILE 106 CO -0.00 0.00 -0.09 -1.22 -3.07 0.00 0.00 178.15 173.77 3g8h n TYR 107 N -4.20 0.00 -1.99 2.19 4.01 -0.37 -4.77 117.16 112.02 3g8h n TYR 107 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3g8h n TYR 107 Cb 0.13 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 3g8h n TYR 107 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3g8h s ARG 108 N -2.41 4.26 -1.53 -0.72 0.52 -0.50 -0.98 118.95 117.59 3g8h s ARG 108 Ca 0.31 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.86 3g8h s ARG 108 Cb 0.20 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.60 3g8h s ARG 108 CO 0.46 -0.39 0.00 0.09 0.02 0.00 0.00 175.30 175.48 3g8h n ASN 109 N 1.61 -4.90 -4.72 0.23 3.02 0.04 -4.92 115.26 105.62 3g8h n ASN 109 Ca 0.04 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 3g8h n ASN 109 Cb 0.40 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 3g8h n ASN 109 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3g8h s TYR 110 N -2.73 3.06 0.19 3.10 5.04 -1.09 -4.92 117.35 120.00 3g8h s TYR 110 Ca 0.00 0.68 -0.30 0.00 -2.44 0.00 0.00 57.07 55.01 3g8h s TYR 110 Cb 0.00 -3.87 -0.08 0.00 0.35 0.00 0.00 41.96 38.36 3g8h s TYR 110 CO 0.00 -3.21 1.16 -1.25 -1.34 0.00 0.00 175.55 170.91 3g8h s PRO 111 N 1.25 4.53 0.41 4.97 0.04 -1.26 -4.77 135.00 140.18 3g8h s PRO 111 Ca 0.69 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.66 3g8h s PRO 111 Cb -0.42 -3.25 0.92 0.00 0.04 0.00 0.00 34.50 31.80 3g8h s PRO 111 CO 0.31 -0.01 1.99 0.22 0.04 0.00 0.00 177.00 179.55 3g8h h ASP 112 N 5.05 0.46 -0.18 6.66 3.58 -1.91 -1.84 116.42 128.24 3g8h h ASP 112 Ca -0.45 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.06 3g8h h ASP 112 Cb 1.21 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 3g8h h ASP 112 CO 0.73 0.30 0.14 -0.29 -2.88 0.00 0.00 179.24 177.23 3g8h h ILE 113 N 0.52 0.83 -0.01 2.25 2.10 -2.02 -0.05 117.51 121.13 3g8h h ILE 113 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.20 3g8h h ILE 113 Cb 0.36 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 3g8h h ILE 113 CO -0.08 0.00 -0.07 0.18 -1.08 0.00 0.00 178.15 177.11 3g8h n LEU 114 N -4.36 1.21 -3.93 2.19 4.77 -0.69 -4.31 117.00 111.87 3g8h n LEU 114 Ca 0.01 -0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.19 3g8h n LEU 114 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3g8h n LEU 114 CO 0.34 0.21 1.97 0.00 -1.33 0.00 0.00 177.39 178.57 3g8h n LYS 116 N 4.39 0.59 -1.68 0.00 2.85 -1.26 -3.84 118.16 119.20 3g8h n LYS 116 Ca 0.41 -1.17 -0.31 0.00 -1.05 0.00 0.00 58.31 56.19 3g8h n LYS 116 Cb 0.37 -1.19 0.04 0.00 -0.65 0.00 0.00 35.03 33.60 3g8h n LYS 116 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3g8h s GLU 117 N -0.83 3.14 0.10 -1.58 8.01 -1.26 -4.97 118.70 121.31 3g8h s GLU 117 Ca 0.12 0.86 -0.32 0.00 0.01 0.00 0.00 54.97 55.65 3g8h s GLU 117 Cb 0.08 -2.02 -0.11 0.00 -4.31 0.00 0.00 34.13 27.77 3g8h s GLU 117 CO 0.12 -0.93 1.84 -1.91 0.01 0.00 0.00 175.26 174.39 3g8h n GLU 118 N -3.01 2.70 -1.79 1.61 4.07 -1.26 -3.71 120.64 119.25 3g8h n GLU 118 Ca 0.07 0.98 -0.42 0.00 -0.06 0.00 0.00 57.16 57.74 3g8h n GLU 118 Cb 0.54 -2.87 -0.02 0.00 -0.06 0.00 0.00 31.44 29.02 3g8h n GLU 118 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3g8h s SER 119 N 2.85 6.42 0.32 4.31 0.01 -1.26 -4.63 113.70 121.71 3g8h s SER 119 Ca 0.83 2.84 -0.29 0.00 1.31 0.00 0.00 55.95 60.64 3g8h s SER 119 Cb -0.51 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.00 3g8h s SER 119 CO 0.39 -0.91 1.56 -0.70 0.41 0.00 0.00 173.24 173.98 3g8h s GLU 120 N 0.53 4.12 0.20 12.44 2.12 -1.20 -4.91 118.70 132.00 3g8h s GLU 120 Ca 0.69 2.57 -0.20 0.00 0.36 0.00 0.00 54.97 58.40 3g8h s GLU 120 Cb -0.48 -3.01 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 3g8h s GLU 120 CO 0.38 -0.60 0.72 0.15 -0.54 0.00 0.00 175.26 175.37 3g8h s LYS 121 N -0.99 4.28 0.00 4.30 1.02 -1.26 -5.02 119.74 122.07 3g8h s LYS 121 Ca 0.60 0.89 0.11 0.00 0.02 0.00 0.00 55.97 57.59 3g8h s LYS 121 Cb -0.47 -2.95 0.68 0.00 -0.52 0.00 0.00 37.83 34.57 3g8h s LYS 121 CO 0.53 0.43 1.11 0.00 -0.92 0.00 0.00 175.35 176.50