#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggj n SER 4 N 0.00 -0.41 -0.06 2.89 3.41 -1.26 -4.97 113.62 113.21 3ggj n SER 4 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3ggj n SER 4 Cb 0.00 -0.21 0.87 0.00 -0.26 0.00 0.00 64.21 64.61 3ggj n SER 4 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3ggj n PRO 5 N -0.03 1.08 0.00 4.33 -0.04 -1.26 -4.67 135.00 134.42 3ggj n PRO 5 Ca 0.00 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3ggj n PRO 5 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3ggj n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ggj n GLY 6 N 1.01 -1.71 3.59 0.55 0.00 -1.26 -4.34 105.19 103.03 3ggj n GLY 6 Ca 0.23 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3ggj n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ggj s VAL 7 N 0.00 3.92 -0.38 1.61 1.01 -0.83 -4.81 120.40 120.91 3ggj s VAL 7 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 3ggj s VAL 7 Cb 0.00 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3ggj s VAL 7 CO 0.00 -0.98 0.98 -0.69 0.00 0.00 0.00 175.10 174.41 3ggj s VAL 8 N 5.48 4.51 -0.40 2.92 1.01 -1.26 -0.84 120.40 131.82 3ggj s VAL 8 Ca 0.55 1.24 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 3ggj s VAL 8 Cb -0.11 -4.39 0.02 0.00 0.00 0.00 0.00 36.38 31.90 3ggj s VAL 8 CO 0.29 -0.62 0.28 -0.63 0.00 0.00 0.00 175.10 174.42 3ggj s ILE 9 N 3.66 5.13 0.84 2.22 1.01 0.79 -4.94 121.20 129.91 3ggj s ILE 9 Ca 0.40 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 3ggj s ILE 9 Cb -0.11 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.61 3ggj s ILE 9 CO 0.21 -0.28 1.10 -0.94 0.00 0.00 0.00 174.94 175.03 3ggj s SER 10 N 1.66 4.06 0.21 3.58 1.04 -1.26 -3.62 113.70 119.36 3ggj s SER 10 Ca 0.04 1.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.65 3ggj s SER 10 Cb -0.19 -1.94 0.16 0.00 0.10 0.00 0.00 66.02 64.15 3ggj s SER 10 CO 0.09 -2.24 1.72 0.44 0.98 0.00 0.00 173.24 174.23 3ggj h ASP 11 N -1.28 1.02 -2.61 7.02 3.32 -1.96 -3.40 116.42 118.54 3ggj h ASP 11 Ca -0.48 -0.23 -0.55 0.00 0.02 0.00 0.00 57.03 55.79 3ggj h ASP 11 Cb 1.29 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3ggj h ASP 11 CO 0.59 1.00 1.09 -0.62 -1.72 0.00 0.00 179.24 179.59 3ggj s ASP 12 N -6.51 6.65 -0.98 6.45 2.15 -1.26 -4.05 116.67 119.12 3ggj s ASP 12 Ca -0.12 2.21 -0.12 0.00 0.43 0.00 0.00 52.55 54.96 3ggj s ASP 12 Cb 0.15 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3ggj s ASP 12 CO 0.84 -0.95 0.73 -1.84 -0.17 0.00 0.00 175.17 173.78 3ggj n GLU 13 N 7.17 -1.29 -3.02 4.34 0.00 -1.26 -4.91 120.64 121.68 3ggj n GLU 13 Ca 0.17 0.74 -0.39 0.00 0.00 0.00 0.00 57.16 57.68 3ggj n GLU 13 Cb 0.43 -3.97 -0.06 0.00 0.00 0.00 0.00 31.44 27.84 3ggj n GLU 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3ggj s PRO 14 N -5.13 4.50 3.17 3.44 0.04 -1.26 -4.93 135.00 134.83 3ggj s PRO 14 Ca 0.26 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3ggj s PRO 14 Cb -0.10 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3ggj s PRO 14 CO 0.85 0.47 0.00 0.41 0.04 0.00 0.00 177.00 178.77 3ggj n GLY 15 N 1.91 -0.20 3.13 0.56 0.00 -1.26 -4.88 105.19 104.44 3ggj n GLY 15 Ca -0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3ggj n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ggj s TYR 16 N 0.00 0.95 0.37 1.61 1.51 0.43 -4.95 117.35 117.27 3ggj s TYR 16 Ca 0.00 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.26 3ggj s TYR 16 Cb 0.00 -0.54 -0.11 0.00 -0.11 0.00 0.00 41.96 41.20 3ggj s TYR 16 CO 0.00 -0.02 1.42 0.34 -1.11 0.00 0.00 175.55 176.19 3ggj s ASP 17 N -1.82 6.46 0.34 2.29 2.15 -1.26 -0.96 116.67 123.86 3ggj s ASP 17 Ca -0.04 2.93 0.08 0.00 0.43 0.00 0.00 52.55 55.94 3ggj s ASP 17 Cb -0.08 -2.66 0.77 0.00 -0.30 0.00 0.00 42.92 40.65 3ggj s ASP 17 CO 0.01 -0.78 1.84 -0.07 -0.17 0.00 0.00 175.17 176.00 3ggj h LEU 18 N 3.09 0.72 0.00 -1.34 3.38 -1.92 -2.58 115.31 116.65 3ggj h LEU 18 Ca -0.50 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ggj h LEU 18 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ggj h LEU 18 CO 0.64 0.34 0.00 -0.90 0.09 0.00 0.00 178.44 178.61 3ggj n ASP 19 N -4.61 0.00 0.13 -0.43 5.68 -1.26 -3.20 116.55 112.86 3ggj n ASP 19 Ca 0.19 -1.03 0.09 0.00 -0.50 0.00 0.00 54.79 53.54 3ggj n ASP 19 Cb 0.50 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.51 3ggj n ASP 19 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3ggj h LEU 20 N 0.00 0.00 -9.69 -2.12 3.38 -1.84 -3.47 115.31 101.56 3ggj h LEU 20 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3ggj h LEU 20 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3ggj h LEU 20 CO 0.00 0.16 -0.59 -0.36 0.09 0.00 0.00 178.44 177.74 3ggj s PHE 21 N -3.20 2.42 -0.18 1.13 0.40 -1.19 -5.12 117.98 112.24 3ggj s PHE 21 Ca 0.02 -0.72 -0.21 0.00 -0.60 0.00 0.00 56.93 55.42 3ggj s PHE 21 Cb 0.08 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3ggj s PHE 21 CO 0.75 0.40 0.62 0.00 0.70 0.00 0.00 175.22 177.70 3ggj s ILE 23 N 1.69 0.30 0.13 0.00 1.01 -1.26 -4.98 121.20 118.09 3ggj s ILE 23 Ca 0.29 -0.09 -0.35 0.00 0.00 0.00 0.00 60.65 60.50 3ggj s ILE 23 Cb -0.16 -0.31 -0.16 0.00 0.01 0.00 0.00 42.46 41.85 3ggj s ILE 23 CO 0.11 0.12 1.35 -2.65 0.00 0.00 0.00 174.94 173.87 3ggj n PRO 24 N 3.46 1.39 -0.28 2.79 -0.02 -1.26 -4.82 135.00 136.25 3ggj n PRO 24 Ca -0.19 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3ggj n PRO 24 Cb 0.55 -2.13 0.35 0.00 -0.02 0.00 0.00 33.50 32.24 3ggj n PRO 24 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ggj h ASN 25 N 4.51 0.72 0.09 2.55 2.35 -2.02 -1.60 115.58 122.18 3ggj h ASN 25 Ca -0.46 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3ggj h ASN 25 Cb 1.32 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3ggj h ASN 25 CO 0.78 0.37 0.00 0.00 -1.65 0.00 0.00 177.43 176.93 3ggj n HIS 26 N -4.57 0.00 -0.24 1.19 1.44 -1.26 -1.38 115.22 110.40 3ggj n HIS 26 Ca 0.17 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.95 3ggj n HIS 26 Cb 0.43 -0.11 0.17 0.00 0.12 0.00 0.00 29.99 30.61 3ggj n HIS 26 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3ggj n TYR 27 N -1.11 0.54 -0.29 -1.40 4.01 -0.60 -4.77 117.16 113.54 3ggj n TYR 27 Ca 0.09 -0.52 0.33 0.00 -0.16 0.00 0.00 57.90 57.64 3ggj n TYR 27 Cb 0.07 -0.04 0.73 0.00 -0.31 0.00 0.00 39.34 39.79 3ggj n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ggj h ALA 28 N 2.20 3.01 -0.01 -0.72 0.00 -1.31 -1.78 119.26 120.65 3ggj h ALA 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ggj h ALA 28 Cb 0.80 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ggj h ALA 28 CO 0.02 -1.34 -0.25 0.39 0.00 0.00 0.00 179.25 178.06 3ggj n GLU 29 N -4.23 2.28 -0.18 0.00 1.02 -1.26 -4.68 120.64 113.59 3ggj n GLU 29 Ca 0.24 -0.53 0.11 0.00 -0.02 0.00 0.00 57.16 56.95 3ggj n GLU 29 Cb 1.16 -1.08 0.27 0.00 -0.02 0.00 0.00 31.44 31.77 3ggj n GLU 29 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ggj n ASP 30 N -0.38 2.83 -4.11 1.62 8.00 -0.67 -4.21 116.55 119.62 3ggj n ASP 30 Ca 0.04 -1.91 -0.13 0.00 0.71 0.00 0.00 54.79 53.49 3ggj n ASP 30 Cb 0.21 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 3ggj n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ggj s LEU 31 N -1.40 2.33 -0.20 0.64 1.43 -1.25 -1.51 118.68 118.72 3ggj s LEU 31 Ca 0.36 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3ggj s LEU 31 Cb 0.20 -0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.14 3ggj s LEU 31 CO 0.29 -0.24 -0.34 -0.62 0.23 0.00 0.00 176.35 175.66 3ggj n GLU 32 N 1.02 0.54 -4.32 1.70 1.02 0.39 -4.60 120.64 116.40 3ggj n GLU 32 Ca -0.20 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.00 3ggj n GLU 32 Cb 0.56 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 3ggj n GLU 32 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ggj s ARG 33 N -2.79 1.51 -0.10 3.49 1.81 -1.26 -4.67 118.95 116.93 3ggj s ARG 33 Ca -0.31 -1.84 -0.01 0.00 -1.72 0.00 0.00 55.73 51.85 3ggj s ARG 33 Cb 0.07 -0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 3ggj s ARG 33 CO 0.44 -0.40 -0.06 0.08 -0.68 0.00 0.00 175.30 174.68 3ggj s VAL 34 N -3.70 3.72 -0.26 3.52 1.01 -0.13 -2.30 120.40 122.26 3ggj s VAL 34 Ca 0.37 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3ggj s VAL 34 Cb 0.06 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 3ggj s VAL 34 CO 0.16 0.56 -0.31 0.49 0.00 0.00 0.00 175.10 176.00 3ggj n PHE 35 N 2.73 0.00 -3.57 5.22 3.01 0.80 0.16 117.46 125.82 3ggj n PHE 35 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.99 3ggj n PHE 35 Cb 0.53 -0.93 -0.15 0.00 -0.01 0.00 0.00 39.48 38.92 3ggj n PHE 35 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ggj s ILE 36 N -2.48 0.12 0.66 4.37 1.01 -0.84 -4.68 121.20 119.37 3ggj s ILE 36 Ca -0.35 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.17 3ggj s ILE 36 Cb 0.13 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3ggj s ILE 36 CO 0.48 -0.74 0.61 -2.65 0.00 0.00 0.00 174.94 172.64 3ggj n PRO 37 N 5.08 0.45 0.04 2.79 -0.02 -1.26 -1.62 135.00 140.45 3ggj n PRO 37 Ca -0.04 0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 3ggj n PRO 37 Cb 0.42 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 3ggj n PRO 37 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ggj h HIS 38 N -0.08 -1.01 -1.00 6.00 -0.00 -1.93 -2.10 115.15 115.03 3ggj h HIS 38 Ca -0.46 0.04 0.24 0.00 -0.00 0.00 0.00 60.37 60.19 3ggj h HIS 38 Cb 1.37 0.45 -0.09 0.00 -0.00 0.00 0.00 27.41 29.14 3ggj h HIS 38 CO 0.34 -0.44 0.64 0.78 -0.00 0.00 0.00 177.93 179.25 3ggj h GLY 39 N -0.49 1.21 1.30 5.26 0.00 -1.90 0.32 103.07 108.77 3ggj h GLY 39 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3ggj h GLY 39 CO -0.32 -0.09 -0.40 -2.00 0.00 0.00 0.00 176.54 173.72 3ggj h LEU 40 N 0.45 0.81 -0.60 3.11 6.46 -1.75 -2.30 115.31 121.50 3ggj h LEU 40 Ca 0.56 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3ggj h LEU 40 Cb 1.33 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 3ggj h LEU 40 CO -0.28 1.11 0.39 0.40 -0.62 0.00 0.00 178.44 179.44 3ggj h ILE 41 N 0.62 1.16 -0.25 4.05 2.04 0.16 -2.58 117.51 122.72 3ggj h ILE 41 Ca 0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3ggj h ILE 41 Cb 0.96 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3ggj h ILE 41 CO 0.09 0.16 0.09 0.24 0.00 0.00 0.00 178.15 178.73 3ggj h MET 42 N 0.81 0.21 -0.01 2.37 2.86 -0.78 -0.22 114.93 120.17 3ggj h MET 42 Ca 0.22 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3ggj h MET 42 Cb -0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 3ggj h MET 42 CO -0.05 0.14 0.01 -0.44 1.06 0.00 0.00 176.91 177.63 3ggj h ASP 43 N 0.21 0.02 -0.63 1.22 3.32 -1.33 -1.11 116.42 118.12 3ggj h ASP 43 Ca 0.11 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3ggj h ASP 43 Cb 0.07 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3ggj h ASP 43 CO -0.11 0.15 0.39 -0.09 -1.72 0.00 0.00 179.24 177.86 3ggj h ARG 44 N -0.12 0.75 -0.34 3.56 9.65 -1.39 -1.83 114.38 124.66 3ggj h ARG 44 Ca 0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 3ggj h ARG 44 Cb 0.14 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3ggj h ARG 44 CO -0.00 0.50 0.23 1.15 2.80 0.00 0.00 179.97 184.64 3ggj h THR 45 N 0.77 0.99 0.25 0.20 2.02 -0.71 0.94 112.91 117.37 3ggj h THR 45 Ca 0.25 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3ggj h THR 45 Cb 0.00 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3ggj h THR 45 CO -0.10 0.06 -0.12 -0.08 0.37 0.00 0.00 175.52 175.65 3ggj h GLU 46 N 0.30 -0.32 -0.98 6.66 4.81 -0.38 -0.93 114.58 123.74 3ggj h GLU 46 Ca 0.14 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3ggj h GLU 46 Cb 0.20 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3ggj h GLU 46 CO -0.03 0.01 0.63 -0.09 -0.73 0.00 0.00 179.01 178.80 3ggj h ARG 47 N -0.69 1.07 -0.70 1.92 9.65 -1.04 -1.81 114.38 122.79 3ggj h ARG 47 Ca -0.03 -0.06 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3ggj h ARG 47 Cb 0.48 -0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 28.75 3ggj h ARG 47 CO 0.06 0.71 0.36 -0.07 2.80 0.00 0.00 179.97 183.82 3ggj h LEU 48 N 1.10 0.48 -1.05 3.80 3.38 -0.54 -0.89 115.31 121.60 3ggj h LEU 48 Ca 0.44 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.39 3ggj h LEU 48 Cb 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ggj h LEU 48 CO -0.19 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.54 3ggj h ALA 49 N 1.41 1.21 -0.42 1.53 0.00 -0.34 -0.96 119.26 121.69 3ggj h ALA 49 Ca 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ggj h ALA 49 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ggj h ALA 49 CO -0.25 0.51 0.18 -0.09 0.00 0.00 0.00 179.25 179.60 3ggj h ARG 50 N 0.54 0.62 -0.44 0.00 2.43 -0.78 -2.73 114.38 114.02 3ggj h ARG 50 Ca 0.10 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3ggj h ARG 50 Cb 0.48 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3ggj h ARG 50 CO 0.03 0.56 0.12 -0.44 -1.51 0.00 0.00 179.97 178.73 3ggj h ASP 51 N 0.53 0.59 -0.58 -3.80 3.32 -0.62 -2.80 116.42 113.06 3ggj h ASP 51 Ca 0.14 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3ggj h ASP 51 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ggj h ASP 51 CO -0.01 0.58 0.08 0.58 -1.72 0.00 0.00 179.24 178.75 3ggj h VAL 52 N 0.63 1.26 -0.50 -1.35 2.07 -0.96 -3.07 116.25 114.32 3ggj h VAL 52 Ca 0.15 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 3ggj h VAL 52 Cb 0.22 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3ggj h VAL 52 CO -0.01 0.37 -0.10 0.24 0.02 0.00 0.00 177.57 178.09 3ggj h MET 53 N 0.87 0.96 -0.23 1.57 2.86 -1.32 0.16 114.93 119.81 3ggj h MET 53 Ca 0.18 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ggj h MET 53 Cb 0.43 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3ggj h MET 53 CO 0.01 1.03 -0.14 1.63 1.06 0.00 0.00 176.91 180.50 3ggj n LYS 54 N -4.20 -0.10 0.02 1.72 5.02 -1.07 -3.53 118.16 116.01 3ggj n LYS 54 Ca 0.01 1.11 -0.01 0.00 -2.02 0.00 0.00 58.31 57.40 3ggj n LYS 54 Cb 0.39 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3ggj n LYS 54 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3ggj h GLU 55 N 0.00 -0.05 -7.05 1.97 4.39 -1.47 -3.45 114.58 108.91 3ggj h GLU 55 Ca 0.04 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.35 3ggj h GLU 55 Cb 0.09 0.01 0.22 0.00 -0.10 0.00 0.00 28.75 28.97 3ggj h GLU 55 CO -0.22 -0.03 -0.10 -1.64 -1.16 0.00 0.00 179.01 175.86 3ggj s MET 56 N -2.63 -2.73 0.00 2.33 -1.94 0.56 -4.87 119.30 110.02 3ggj s MET 56 Ca -0.01 0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 3ggj s MET 56 Cb 0.00 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.45 3ggj s MET 56 CO 0.02 -4.76 0.00 0.41 -0.01 0.00 0.00 175.02 170.68 3ggj n GLY 57 N 1.29 -0.34 0.06 -0.03 0.00 -1.26 -4.64 105.19 100.28 3ggj n GLY 57 Ca 0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3ggj n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggj n GLY 58 N -0.12 -0.63 0.00 -0.02 0.00 -1.26 -5.04 105.19 98.11 3ggj n GLY 58 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ggj n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ggj n HIS 60 N -3.97 0.00 -2.05 1.61 -0.00 -1.26 -5.14 115.22 104.42 3ggj n HIS 60 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.21 3ggj n HIS 60 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.28 3ggj n HIS 60 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 3ggj s ILE 61 N 0.00 3.04 -0.23 3.57 -0.00 -1.26 -1.59 121.20 124.73 3ggj s ILE 61 Ca 0.00 0.70 0.02 0.00 -0.00 0.00 0.00 60.65 61.36 3ggj s ILE 61 Cb 0.00 -3.45 0.05 0.00 -0.00 0.00 0.00 42.46 39.06 3ggj s ILE 61 CO 0.00 0.04 -0.10 -0.69 -0.00 0.00 0.00 174.94 174.19 3ggj s VAL 62 N 1.43 1.85 -0.17 8.37 1.01 0.26 -2.46 120.40 130.69 3ggj s VAL 62 Ca 0.68 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 3ggj s VAL 62 Cb -0.39 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3ggj s VAL 62 CO 0.31 0.08 0.70 0.00 0.00 0.00 0.00 175.10 176.18 3ggj s ALA 63 N 1.28 3.51 -0.33 5.51 0.00 -0.24 -0.78 121.76 130.71 3ggj s ALA 63 Ca -0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 3ggj s ALA 63 Cb -0.18 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3ggj s ALA 63 CO -0.07 -0.53 0.09 -1.17 0.00 0.00 0.00 175.76 174.08 3ggj s LEU 64 N 1.85 4.22 0.24 0.00 0.20 0.76 -0.08 118.68 125.87 3ggj s LEU 64 Ca 0.32 -1.13 -0.21 0.00 0.69 0.00 0.00 54.13 53.81 3ggj s LEU 64 Cb -0.16 -1.85 -0.09 0.00 -0.43 0.00 0.00 46.19 43.67 3ggj s LEU 64 CO 0.12 -0.31 0.77 0.00 -0.29 0.00 0.00 176.35 176.64 3ggj s VAL 66 N -1.53 5.10 0.84 0.00 1.01 -1.26 -1.84 120.40 122.73 3ggj s VAL 66 Ca 0.44 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3ggj s VAL 66 Cb -0.17 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.56 3ggj s VAL 66 CO 0.22 -0.17 1.20 -0.76 0.00 0.00 0.00 175.10 175.59 3ggj s LEU 67 N 1.67 2.55 0.00 3.92 1.43 0.73 -1.50 118.68 127.48 3ggj s LEU 67 Ca 0.05 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3ggj s LEU 67 Cb -0.18 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3ggj s LEU 67 CO 0.09 -2.06 0.00 0.29 0.23 0.00 0.00 176.35 174.90 3ggj n LYS 68 N -3.40 0.00 -0.01 1.70 5.02 -1.26 -3.69 118.16 116.52 3ggj n LYS 68 Ca 0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 3ggj n LYS 68 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.58 3ggj n LYS 68 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ggj h GLY 69 N 0.00 -0.31 0.64 0.72 0.00 -1.89 -3.31 103.07 98.92 3ggj h GLY 69 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3ggj h GLY 69 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.94 3ggj n GLY 70 N -1.39 -0.65 0.35 4.60 0.00 -0.56 -4.37 105.19 103.16 3ggj n GLY 70 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3ggj n GLY 70 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ggj h TYR 71 N 0.00 0.58 0.65 1.61 -0.00 -1.76 -2.97 116.97 115.08 3ggj h TYR 71 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.71 3ggj h TYR 71 Cb 0.00 -0.19 0.01 0.00 -0.00 0.00 0.00 36.73 36.55 3ggj h TYR 71 CO 0.00 0.29 -0.31 -0.22 -0.00 0.00 0.00 178.16 177.92 3ggj h LYS 72 N 0.56 -0.84 -0.49 0.10 3.11 -1.92 -1.29 116.57 115.81 3ggj h LYS 72 Ca 0.29 0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 58.12 3ggj h LYS 72 Cb 0.39 0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 3ggj h LYS 72 CO -0.09 -0.52 0.07 0.35 -2.81 0.00 0.00 179.45 176.45 3ggj h PHE 73 N -1.03 0.87 -0.34 1.91 3.57 -1.90 -1.45 116.94 118.56 3ggj h PHE 73 Ca -0.09 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.36 3ggj h PHE 73 Cb 0.71 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 3ggj h PHE 73 CO -0.01 0.80 -0.16 0.35 -2.23 0.00 0.00 178.31 177.06 3ggj h PHE 74 N 0.69 -0.41 -0.91 0.41 3.57 -1.56 0.30 116.94 119.04 3ggj h PHE 74 Ca 0.15 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3ggj h PHE 74 Cb 0.41 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 3ggj h PHE 74 CO 0.03 -0.24 0.59 0.00 -2.23 0.00 0.00 178.31 176.46 3ggj h ALA 75 N 1.14 1.16 -0.09 2.41 0.00 -0.44 0.63 119.26 124.07 3ggj h ALA 75 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ggj h ALA 75 Cb 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ggj h ALA 75 CO -0.41 0.58 -0.31 -0.44 0.00 0.00 0.00 179.25 178.67 3ggj h ASP 76 N 1.24 0.43 -0.64 0.00 3.32 -0.57 -0.97 116.42 119.24 3ggj h ASP 76 Ca 0.33 -0.61 0.05 0.00 0.02 0.00 0.00 57.03 56.82 3ggj h ASP 76 Cb -0.12 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 3ggj h ASP 76 CO -0.07 0.97 0.35 0.25 -1.72 0.00 0.00 179.24 179.02 3ggj h LEU 77 N -0.08 0.53 -0.84 1.55 5.85 -0.12 -2.38 115.31 119.82 3ggj h LEU 77 Ca -0.01 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3ggj h LEU 77 Cb 0.93 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3ggj h LEU 77 CO 0.06 0.35 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.06 3ggj h LEU 78 N 0.66 0.43 -0.67 2.25 -0.00 -0.84 -2.39 115.31 114.74 3ggj h LEU 78 Ca 0.28 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3ggj h LEU 78 Cb 0.16 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 3ggj h LEU 78 CO -0.17 0.77 0.41 0.44 -0.00 0.00 0.00 178.44 179.89 3ggj h ASP 79 N 0.34 0.80 -0.18 -0.43 5.19 -0.77 0.22 116.42 121.60 3ggj h ASP 79 Ca 0.03 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 3ggj h ASP 79 Cb 0.82 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3ggj h ASP 79 CO 0.07 0.62 -0.21 1.88 -3.12 0.00 0.00 179.24 178.47 3ggj h TYR 80 N 0.91 0.69 -0.05 4.55 0.05 -1.25 -1.27 116.97 120.61 3ggj h TYR 80 Ca 0.24 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3ggj h TYR 80 Cb -0.04 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 3ggj h TYR 80 CO -0.02 0.78 -0.02 0.82 -1.05 0.00 0.00 178.16 178.67 3ggj h ILE 81 N 0.55 1.33 -0.91 -2.88 2.04 -1.12 -1.18 117.51 115.33 3ggj h ILE 81 Ca 0.08 -1.02 0.21 0.00 1.00 0.00 0.00 64.86 65.13 3ggj h ILE 81 Cb 0.66 1.92 -0.12 0.00 -0.74 0.00 0.00 36.82 38.54 3ggj h ILE 81 CO 0.05 0.28 0.45 0.11 0.00 0.00 0.00 178.15 179.03 3ggj h LYS 82 N -0.29 0.48 -0.77 2.37 1.57 -0.90 0.14 116.57 119.17 3ggj h LYS 82 Ca 0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3ggj h LYS 82 Cb 0.46 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3ggj h LYS 82 CO 0.01 0.32 0.29 0.00 -0.57 0.00 0.00 179.45 179.49 3ggj h ALA 83 N 1.68 1.06 -0.33 3.86 0.00 -0.71 -2.07 119.26 122.74 3ggj h ALA 83 Ca 0.56 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 3ggj h ALA 83 Cb 1.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ggj h ALA 83 CO -0.48 0.66 -0.26 -0.07 0.00 0.00 0.00 179.25 179.10 3ggj h LEU 84 N 1.12 0.69 -0.31 0.00 3.38 0.15 -3.24 115.31 117.12 3ggj h LEU 84 Ca 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ggj h LEU 84 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ggj h LEU 84 CO -0.02 0.93 0.00 0.59 0.09 0.00 0.00 178.44 180.03 3ggj n ASN 85 N -4.10 0.37 0.21 -0.43 4.13 0.31 -3.43 115.26 112.32 3ggj n ASN 85 Ca -0.00 0.58 0.05 0.00 1.68 0.00 0.00 54.58 56.88 3ggj n ASN 85 Cb 0.44 -0.66 0.48 0.00 -1.54 0.00 0.00 39.78 38.50 3ggj n ASN 85 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3ggj h ARG 86 N 0.00 0.01 -0.01 3.52 3.08 -1.51 -3.09 114.38 116.38 3ggj h ARG 86 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ggj h ARG 86 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ggj h ARG 86 CO 0.00 0.21 -0.24 0.09 -1.07 0.00 0.00 179.97 178.96 3ggj n ASN 87 N -4.30 1.44 -4.74 7.04 4.13 -1.22 -4.94 115.26 112.67 3ggj n ASN 87 Ca -0.02 -1.20 -0.37 0.00 1.68 0.00 0.00 54.58 54.67 3ggj n ASN 87 Cb 0.26 0.17 0.06 0.00 -1.54 0.00 0.00 39.78 38.73 3ggj n ASN 87 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ggj s SER 88 N -2.37 4.83 0.36 6.41 1.04 -1.17 -4.92 113.70 117.88 3ggj s SER 88 Ca 0.26 2.61 0.19 0.00 0.48 0.00 0.00 55.95 59.49 3ggj s SER 88 Cb 0.19 -2.62 0.25 0.00 0.10 0.00 0.00 66.02 63.94 3ggj s SER 88 CO 0.48 -1.85 1.54 0.44 0.98 0.00 0.00 173.24 174.84 3ggj h ASP 89 N 0.78 0.00 -3.73 7.02 3.32 -1.92 -3.42 116.42 118.48 3ggj h ASP 89 Ca -0.51 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.87 3ggj h ASP 89 Cb 1.32 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.55 3ggj h ASP 89 CO 0.54 0.27 -0.88 -0.13 -1.72 0.00 0.00 179.24 177.32 3ggj s ARG 90 N -3.11 2.66 0.24 3.56 0.52 -1.26 -5.11 118.95 116.45 3ggj s ARG 90 Ca 0.05 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 3ggj s ARG 90 Cb 0.07 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.28 3ggj s ARG 90 CO 0.70 0.28 1.57 -1.54 0.02 0.00 0.00 175.30 176.33 3ggj s SER 91 N 0.07 6.49 -0.23 0.23 1.04 -1.26 -4.96 113.70 115.07 3ggj s SER 91 Ca -0.10 2.80 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 3ggj s SER 91 Cb -0.15 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.32 3ggj s SER 91 CO 0.06 -0.85 0.03 0.27 0.98 0.00 0.00 173.24 173.73 3ggj s ILE 92 N 0.38 4.06 0.34 -1.02 -4.36 -1.26 -5.07 121.20 114.26 3ggj s ILE 92 Ca 0.65 -0.26 -0.28 0.00 -0.26 0.00 0.00 60.65 60.49 3ggj s ILE 92 Cb -0.46 -2.88 -0.10 0.00 1.25 0.00 0.00 42.46 40.28 3ggj s ILE 92 CO 0.41 0.37 1.30 -2.84 0.24 0.00 0.00 174.94 174.43 3ggj s PRO 93 N 1.46 4.32 -0.05 0.37 0.02 -1.26 -5.02 135.00 134.83 3ggj s PRO 93 Ca 0.05 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.26 3ggj s PRO 93 Cb -0.15 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.36 3ggj s PRO 93 CO 0.02 -0.21 0.10 -1.64 -0.33 0.00 0.00 177.00 174.93 3ggj s MET 94 N -1.84 0.06 -0.17 5.54 1.00 -1.26 -4.20 119.30 118.42 3ggj s MET 94 Ca 0.50 0.27 -0.01 0.00 0.00 0.00 0.00 55.69 56.45 3ggj s MET 94 Cb -0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 34.83 34.28 3ggj s MET 94 CO 0.52 -0.14 -0.13 0.99 0.00 0.00 0.00 175.02 176.27 3ggj s THR 95 N 0.92 2.80 0.04 2.05 2.01 -1.03 -5.05 115.64 117.38 3ggj s THR 95 Ca -0.07 -0.71 -0.23 0.00 0.31 0.00 0.00 61.69 60.98 3ggj s THR 95 Cb -0.10 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 3ggj s THR 95 CO -0.04 0.50 0.70 -0.69 -0.69 0.00 0.00 174.62 174.40 3ggj s VAL 96 N 0.98 4.76 0.38 3.82 1.01 -1.26 -1.08 120.40 129.02 3ggj s VAL 96 Ca -0.02 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.51 3ggj s VAL 96 Cb -0.15 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 3ggj s VAL 96 CO -0.02 0.40 0.03 -1.81 0.00 0.00 0.00 175.10 173.70 3ggj s ASP 97 N -0.23 3.32 -0.12 3.32 1.01 0.88 -4.93 116.67 119.92 3ggj s ASP 97 Ca 0.35 -1.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.18 3ggj s ASP 97 Cb -0.20 -0.23 0.06 0.00 1.01 0.00 0.00 42.92 43.56 3ggj s ASP 97 CO 0.21 -0.53 0.25 -0.36 0.21 0.00 0.00 175.17 174.95 3ggj s PHE 98 N -2.94 -0.38 -0.10 4.23 0.40 -1.26 -1.29 117.98 116.64 3ggj s PHE 98 Ca 0.34 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 3ggj s PHE 98 Cb 0.09 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.56 3ggj s PHE 98 CO 0.16 -0.32 -0.08 0.96 0.70 0.00 0.00 175.22 176.64 3ggj s ILE 99 N 2.11 3.53 0.26 0.64 -4.36 -0.77 -4.75 121.20 117.86 3ggj s ILE 99 Ca -0.01 -0.52 -0.18 0.00 -0.26 0.00 0.00 60.65 59.67 3ggj s ILE 99 Cb -0.12 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 3ggj s ILE 99 CO -0.08 0.56 0.73 -0.60 0.24 0.00 0.00 174.94 175.79 3ggj s ARG 100 N -0.31 4.16 -0.25 0.37 3.52 -1.26 0.26 118.95 125.44 3ggj s ARG 100 Ca 0.04 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.32 3ggj s ARG 100 Cb -0.13 -2.70 0.09 0.00 -1.56 0.00 0.00 34.95 30.65 3ggj s ARG 100 CO 0.02 0.30 0.56 -1.17 -0.81 0.00 0.00 175.30 174.21 3ggj s LEU 101 N -2.37 -0.77 0.04 -0.88 0.20 -1.24 -1.83 118.68 111.82 3ggj s LEU 101 Ca 0.47 1.30 0.07 0.00 0.69 0.00 0.00 54.13 56.66 3ggj s LEU 101 Cb -0.14 1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 47.53 3ggj s LEU 101 CO 0.20 -0.22 -0.20 -0.75 -0.29 0.00 0.00 176.35 175.09 3ggj s LYS 102 N 2.16 1.35 0.11 1.98 2.20 -0.74 -4.85 119.74 121.95 3ggj s LYS 102 Ca -0.07 -0.89 0.08 0.00 -0.36 0.00 0.00 55.97 54.73 3ggj s LYS 102 Cb -0.09 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.76 3ggj s LYS 102 CO -0.17 0.37 -0.12 -1.12 -0.36 0.00 0.00 175.35 173.95 3ggj s SER 103 N -1.08 4.23 -0.04 1.43 0.01 -1.26 -1.40 113.70 115.59 3ggj s SER 103 Ca 0.07 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.90 3ggj s SER 103 Cb -0.08 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.41 3ggj s SER 103 CO 0.01 0.17 -0.12 -0.31 0.41 0.00 0.00 173.24 173.40 3ggj s TYR 104 N -1.23 1.34 0.05 2.43 1.51 -1.17 -5.03 117.35 115.24 3ggj s TYR 104 Ca 0.21 -0.41 -0.38 0.00 -1.01 0.00 0.00 57.07 55.48 3ggj s TYR 104 Cb -0.11 -0.95 -0.18 0.00 -0.11 0.00 0.00 41.96 40.61 3ggj s TYR 104 CO 0.13 -0.18 1.23 0.00 -1.11 0.00 0.00 175.55 175.62 3ggj n ASN 106 N 2.11 0.00 -0.38 0.00 6.94 -1.26 -4.99 115.26 117.68 3ggj n ASN 106 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 3ggj n ASN 106 Cb 0.15 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3ggj n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ggj n GLN 108 N 0.00 0.00 0.00 -3.83 0.00 -1.26 -4.93 117.38 107.37 3ggj n GLN 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3ggj n GLN 108 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 30.24 29.86 3ggj n GLN 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3ggj n SER 109 N -2.65 0.00 0.00 2.61 3.41 -1.26 -5.05 113.62 110.68 3ggj n SER 109 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ggj n SER 109 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3ggj n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ggj n GLY 111 N 0.00 3.46 3.85 5.00 0.00 -1.26 -5.24 105.19 111.00 3ggj n GLY 111 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3ggj n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ggj s ASP 112 N 0.00 6.80 -0.20 1.61 2.15 -1.26 -4.65 116.67 121.12 3ggj s ASP 112 Ca 0.00 1.14 -0.01 0.00 0.43 0.00 0.00 52.55 54.12 3ggj s ASP 112 Cb 0.00 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 3ggj s ASP 112 CO 0.00 -0.03 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.20 3ggj s ILE 113 N -1.69 2.51 -0.07 4.11 1.01 -1.26 -5.09 121.20 120.73 3ggj s ILE 113 Ca 0.45 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3ggj s ILE 113 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3ggj s ILE 113 CO 0.20 0.45 -0.20 -0.54 0.00 0.00 0.00 174.94 174.85 3ggj s LYS 114 N 1.34 2.34 -0.29 2.79 -0.14 -1.26 -3.07 119.74 121.45 3ggj s LYS 114 Ca 0.04 -0.71 -0.00 0.00 -1.36 0.00 0.00 55.97 53.94 3ggj s LYS 114 Cb -0.14 -1.89 0.05 0.00 -1.68 0.00 0.00 37.83 34.18 3ggj s LYS 114 CO -0.09 0.20 -0.03 0.08 -0.76 0.00 0.00 175.35 174.74 3ggj s VAL 115 N 0.24 2.76 0.84 3.17 1.01 -0.49 -5.01 120.40 122.92 3ggj s VAL 115 Ca -0.11 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 3ggj s VAL 115 Cb -0.15 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.78 3ggj s VAL 115 CO 0.05 -0.07 1.18 0.27 0.00 0.00 0.00 175.10 176.53 3ggj s ILE 116 N 1.21 2.08 0.00 2.22 -5.25 -1.26 -1.79 121.20 118.41 3ggj s ILE 116 Ca -0.06 -0.14 0.00 0.00 -0.99 0.00 0.00 60.65 59.46 3ggj s ILE 116 Cb -0.20 -2.94 0.00 0.00 2.95 0.00 0.00 42.46 42.27 3ggj s ILE 116 CO -0.02 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.74 3ggj n GLY 118 N -3.35 1.15 1.16 6.27 0.00 -0.76 -4.88 105.19 104.78 3ggj n GLY 118 Ca 0.12 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.68 3ggj n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ggj n ASP 119 N 0.00 -6.28 -3.34 1.61 5.68 -1.26 -4.17 116.55 108.79 3ggj n ASP 119 Ca 0.00 1.36 -0.24 0.00 -0.50 0.00 0.00 54.79 55.41 3ggj n ASP 119 Cb 0.00 -3.61 0.02 0.00 -1.14 0.00 0.00 41.12 36.39 3ggj n ASP 119 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ggj n ASP 120 N -2.63 -6.28 -2.61 -1.12 2.03 -1.26 -4.86 116.55 99.82 3ggj n ASP 120 Ca -0.01 -0.12 -0.24 0.00 0.52 0.00 0.00 54.79 54.94 3ggj n ASP 120 Cb 0.40 -3.05 -0.00 0.00 -0.72 0.00 0.00 41.12 37.75 3ggj n ASP 120 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ggj n LEU 121 N -0.85 4.01 0.04 -2.67 4.77 -1.26 -4.77 117.00 116.27 3ggj n LEU 121 Ca -0.07 -5.06 -0.09 0.00 -0.03 0.00 0.00 56.01 50.77 3ggj n LEU 121 Cb 0.61 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3ggj n LEU 121 CO 0.55 2.16 0.42 0.28 -1.33 0.00 0.00 177.39 179.46 3ggj h SER 122 N 2.73 0.48 0.00 -1.43 0.02 -1.99 -3.36 113.55 110.00 3ggj h SER 122 Ca 0.20 -0.29 -0.30 0.00 -0.84 0.00 0.00 61.79 60.57 3ggj h SER 122 Cb 0.89 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 3ggj h SER 122 CO 0.78 1.00 1.05 0.41 -1.14 0.00 0.00 176.83 178.93 3ggj n THR 123 N -3.88 2.87 0.00 -2.27 -1.04 -1.26 -3.31 114.28 105.39 3ggj n THR 123 Ca -0.04 -1.56 0.00 0.00 -2.04 0.00 0.00 64.05 60.41 3ggj n THR 123 Cb 0.66 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 3ggj n THR 123 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ggj n LEU 124 N 3.03 0.00 -4.66 -4.42 4.77 -1.26 -4.98 117.00 109.48 3ggj n LEU 124 Ca 0.46 0.00 -0.60 0.00 -0.03 0.00 0.00 56.01 55.85 3ggj n LEU 124 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3ggj n LEU 124 CO 0.38 0.00 1.36 0.41 -1.33 0.00 0.00 177.39 178.21 3ggj n THR 125 N -0.58 0.20 -1.73 -5.08 -1.04 -1.21 -1.28 114.28 103.56 3ggj n THR 125 Ca 0.00 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.75 3ggj n THR 125 Cb 0.05 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.45 3ggj n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ggj n GLY 126 N 4.64 1.57 3.83 3.41 0.00 0.60 -4.85 105.19 114.39 3ggj n GLY 126 Ca 0.31 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 3ggj n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ggj s LYS 127 N -3.96 2.74 -0.47 1.61 -0.14 -0.41 -4.12 119.74 114.99 3ggj s LYS 127 Ca 0.00 -1.25 -0.24 0.00 -1.36 0.00 0.00 55.97 53.12 3ggj s LYS 127 Cb 0.00 -2.47 0.03 0.00 -1.68 0.00 0.00 37.83 33.71 3ggj s LYS 127 CO 0.00 0.19 0.85 -0.80 -0.76 0.00 0.00 175.35 174.83 3ggj s ASN 128 N -3.93 6.42 -0.17 2.83 0.01 -0.62 -1.16 114.94 118.32 3ggj s ASN 128 Ca 0.38 -0.11 -0.06 0.00 -0.71 0.00 0.00 52.86 52.36 3ggj s ASN 128 Cb -0.06 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3ggj s ASN 128 CO 0.26 -1.01 0.03 -0.69 -1.51 0.00 0.00 177.10 174.17 3ggj s VAL 129 N 3.52 4.46 -0.21 1.60 1.01 -0.48 0.92 120.40 131.22 3ggj s VAL 129 Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3ggj s VAL 129 Cb -0.12 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 3ggj s VAL 129 CO 0.23 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.60 3ggj s LEU 130 N 0.39 3.36 -0.22 3.92 2.96 0.04 -1.98 118.68 127.14 3ggj s LEU 130 Ca 0.01 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 53.54 3ggj s LEU 130 Cb -0.13 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3ggj s LEU 130 CO 0.01 0.06 0.64 -0.63 -1.32 0.00 0.00 176.35 175.11 3ggj s ILE 131 N 1.03 5.00 -0.24 6.68 -1.09 -0.20 -0.17 121.20 132.22 3ggj s ILE 131 Ca 0.02 1.18 -0.08 0.00 -2.23 0.00 0.00 60.65 59.55 3ggj s ILE 131 Cb -0.14 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 3ggj s ILE 131 CO 0.02 0.08 0.09 -0.69 -1.23 0.00 0.00 174.94 173.21 3ggj s VAL 132 N 2.14 4.61 0.35 2.92 1.01 -0.84 -0.33 120.40 130.24 3ggj s VAL 132 Ca 0.28 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.25 3ggj s VAL 132 Cb -0.16 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 3ggj s VAL 132 CO 0.10 0.35 -0.01 -1.61 0.00 0.00 0.00 175.10 173.93 3ggj s GLU 133 N 1.36 1.76 -0.24 2.72 2.02 -0.38 -4.03 118.70 121.90 3ggj s GLU 133 Ca 0.06 -1.96 -0.12 0.00 0.02 0.00 0.00 54.97 52.97 3ggj s GLU 133 Cb -0.15 -1.32 -0.16 0.00 0.10 0.00 0.00 34.13 32.60 3ggj s GLU 133 CO 0.04 -0.04 -0.11 -0.25 0.02 0.00 0.00 175.26 174.92 3ggj n ASP 134 N -0.78 1.96 -3.77 -0.19 9.92 -1.26 -2.98 116.55 119.45 3ggj n ASP 134 Ca -0.04 0.25 -0.13 0.00 -0.53 0.00 0.00 54.79 54.34 3ggj n ASP 134 Cb 0.66 -0.78 -0.10 0.00 -0.64 0.00 0.00 41.12 40.26 3ggj n ASP 134 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3ggj s ILE 135 N -2.48 0.03 -0.19 0.53 2.07 -1.26 -2.14 121.20 117.75 3ggj s ILE 135 Ca -0.34 -0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 3ggj s ILE 135 Cb 0.11 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.19 3ggj s ILE 135 CO 0.57 -0.12 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.70 3ggj s ILE 136 N -0.47 2.51 0.00 2.00 1.01 0.13 -4.95 121.20 121.43 3ggj s ILE 136 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3ggj s ILE 136 Cb -0.04 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.34 3ggj s ILE 136 CO 0.02 0.50 0.00 -0.67 0.00 0.00 0.00 174.94 174.79 3ggj n ASP 137 N 4.66 0.00 0.18 3.58 2.03 -1.26 -0.34 116.55 125.40 3ggj n ASP 137 Ca -0.20 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.16 3ggj n ASP 137 Cb 0.50 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.18 3ggj n ASP 137 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3ggj h THR 138 N 0.00 0.88 0.00 5.18 1.35 -1.95 -3.44 112.91 114.92 3ggj h THR 138 Ca 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3ggj h THR 138 Cb 0.00 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3ggj h THR 138 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 3ggj n GLY 139 N 0.42 0.68 0.21 5.82 0.00 -1.26 -4.39 105.19 106.67 3ggj n GLY 139 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3ggj n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggj h LYS 140 N 2.12 0.73 -0.17 1.61 1.57 -1.98 -1.56 116.57 118.89 3ggj h LYS 140 Ca 0.00 -0.54 0.02 0.00 -1.87 0.00 0.00 60.65 58.26 3ggj h LYS 140 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ggj h LYS 140 CO 0.00 1.16 0.03 1.15 -0.57 0.00 0.00 179.45 181.22 3ggj h THR 141 N 0.44 0.92 -0.45 -0.16 2.02 -1.97 0.82 112.91 114.54 3ggj h THR 141 Ca -0.03 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3ggj h THR 141 Cb 1.23 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3ggj h THR 141 CO 0.13 0.02 0.27 -0.03 0.37 0.00 0.00 175.52 176.28 3ggj h MET 142 N 0.10 0.54 -0.46 6.66 1.85 -1.95 0.50 114.93 122.17 3ggj h MET 142 Ca 0.08 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.07 3ggj h MET 142 Cb 0.07 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 3ggj h MET 142 CO -0.11 0.36 0.02 0.37 -0.40 0.00 0.00 176.91 177.16 3ggj h GLN 143 N 0.56 0.74 0.10 0.39 4.15 -0.99 -0.32 115.11 119.74 3ggj h GLN 143 Ca 0.17 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3ggj h GLN 143 Cb -0.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3ggj h GLN 143 CO -0.07 0.74 -0.05 1.15 -1.93 0.00 0.00 178.83 178.68 3ggj h THR 144 N 0.70 1.12 -0.94 2.39 2.02 -0.39 -2.69 112.91 115.13 3ggj h THR 144 Ca 0.14 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.51 3ggj h THR 144 Cb 0.40 1.70 -0.08 0.00 -1.74 0.00 0.00 68.15 68.43 3ggj h THR 144 CO 0.01 0.22 0.57 -0.07 0.37 0.00 0.00 175.52 176.63 3ggj h LEU 145 N -0.56 0.84 0.00 2.58 3.38 -0.82 -2.67 115.31 118.06 3ggj h LEU 145 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ggj h LEU 145 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ggj h LEU 145 CO 0.02 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.19 3ggj n LEU 146 N -4.66 0.00 0.27 1.67 4.32 -0.14 -2.07 117.00 116.39 3ggj n LEU 146 Ca 0.17 0.67 0.13 0.00 -0.02 0.00 0.00 56.01 56.95 3ggj n LEU 146 Cb 0.32 -0.17 0.68 0.00 -1.62 0.00 0.00 43.42 42.62 3ggj n LEU 146 CO 0.27 -0.17 1.00 0.77 -1.22 0.00 0.00 177.39 178.05 3ggj h SER 147 N 0.00 0.00 -0.02 -1.43 4.64 -1.49 -0.62 113.55 114.62 3ggj h SER 147 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3ggj h SER 147 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ggj h SER 147 CO 0.00 0.00 -0.21 0.25 -0.87 0.00 0.00 176.83 176.00 3ggj h LEU 148 N 0.00 0.23 -0.33 5.97 5.85 -1.35 -3.05 115.31 122.62 3ggj h LEU 148 Ca 0.00 -0.70 -0.20 0.00 0.84 0.00 0.00 57.88 57.82 3ggj h LEU 148 Cb 0.55 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ggj h LEU 148 CO 0.00 0.90 -0.82 0.58 -0.34 0.00 0.00 178.44 178.76 3ggj h VAL 149 N -0.42 1.42 -0.38 1.05 2.07 -0.58 -2.96 116.25 116.45 3ggj h VAL 149 Ca -0.02 -2.36 0.11 0.00 0.82 0.00 0.00 66.70 65.25 3ggj h VAL 149 Cb 0.91 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3ggj h VAL 149 CO 0.04 0.70 0.35 0.03 0.02 0.00 0.00 177.57 178.71 3ggj h ARG 150 N 0.20 0.00 0.00 1.57 -0.00 -1.31 -0.34 114.38 114.50 3ggj h ARG 150 Ca -0.05 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 3ggj h ARG 150 Cb 1.42 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.39 3ggj h ARG 150 CO 0.13 0.00 -0.19 0.37 0.00 0.00 0.00 179.97 180.29 3ggj h GLN 151 N 0.00 0.00 -0.50 0.04 4.15 -1.40 -3.22 115.11 114.18 3ggj h GLN 151 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 3ggj h GLN 151 Cb 0.87 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 3ggj h GLN 151 CO -0.00 0.19 0.05 0.66 -1.93 0.00 0.00 178.83 177.79 3ggj n TYR 152 N -3.51 1.79 -3.75 3.99 4.01 -0.14 -4.99 117.16 114.55 3ggj n TYR 152 Ca -0.01 -0.89 -0.26 0.00 -0.16 0.00 0.00 57.90 56.58 3ggj n TYR 152 Cb 0.35 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 38.91 3ggj n TYR 152 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3ggj n ASN 153 N 0.09 -2.77 -4.81 7.72 2.04 -1.22 -3.36 115.26 112.94 3ggj n ASN 153 Ca 0.28 -0.95 -0.30 0.00 -0.44 0.00 0.00 54.58 53.17 3ggj n ASN 153 Cb 1.14 -3.51 0.09 0.00 -2.53 0.00 0.00 39.78 34.97 3ggj n ASN 153 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3ggj s PRO 154 N -6.10 1.97 -0.01 -0.53 0.04 -1.26 -0.29 135.00 128.82 3ggj s PRO 154 Ca 0.21 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 3ggj s PRO 154 Cb -0.07 -1.91 -0.33 0.00 0.04 0.00 0.00 34.50 32.22 3ggj s PRO 154 CO 0.85 -1.67 0.94 -0.22 0.04 0.00 0.00 177.00 176.94 3ggj h LYS 155 N -1.12 0.41 -3.97 4.56 3.64 -1.29 -3.42 116.57 115.38 3ggj h LYS 155 Ca -0.47 -0.70 -0.15 0.00 -1.27 0.00 0.00 60.65 58.06 3ggj h LYS 155 Cb 1.28 0.26 -0.20 0.00 -0.41 0.00 0.00 32.23 33.17 3ggj h LYS 155 CO 0.61 1.33 -0.66 1.41 -2.27 0.00 0.00 179.45 179.87 3ggj s MET 156 N -2.51 0.40 -0.10 1.90 0.00 -1.07 -4.98 119.30 112.95 3ggj s MET 156 Ca -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 55.69 54.82 3ggj s MET 156 Cb 0.02 0.15 0.05 0.00 0.00 0.00 0.00 34.83 35.05 3ggj s MET 156 CO 0.88 -0.08 0.20 0.54 0.00 0.00 0.00 175.02 176.56 3ggj s VAL 157 N -2.00 -0.28 0.24 10.11 0.11 -1.26 -1.38 120.40 125.94 3ggj s VAL 157 Ca -0.11 0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.35 3ggj s VAL 157 Cb -0.06 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3ggj s VAL 157 CO -0.03 0.13 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.15 3ggj s LYS 158 N 2.16 1.52 -0.11 1.54 3.01 -0.84 -5.03 119.74 121.99 3ggj s LYS 158 Ca 0.01 -1.66 0.01 0.00 -1.01 0.00 0.00 55.97 53.31 3ggj s LYS 158 Cb -0.12 -1.52 -0.02 0.00 -1.01 0.00 0.00 37.83 35.16 3ggj s LYS 158 CO -0.07 0.28 -0.14 0.08 0.51 0.00 0.00 175.35 176.02 3ggj s VAL 159 N -2.56 3.03 -0.06 3.17 1.01 -1.26 -1.03 120.40 122.69 3ggj s VAL 159 Ca 0.26 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3ggj s VAL 159 Cb -0.04 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3ggj s VAL 159 CO 0.11 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.56 3ggj s ALA 160 N 0.08 2.42 -0.07 5.51 0.00 0.55 -1.14 121.76 129.11 3ggj s ALA 160 Ca -0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 3ggj s ALA 160 Cb -0.15 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.17 3ggj s ALA 160 CO 0.05 0.46 0.15 0.45 0.00 0.00 0.00 175.76 176.87 3ggj s SER 161 N -0.36 -0.07 0.35 0.00 0.15 -0.42 -1.25 113.70 112.10 3ggj s SER 161 Ca 0.03 0.32 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3ggj s SER 161 Cb -0.12 0.21 0.71 0.00 -1.71 0.00 0.00 66.02 65.10 3ggj s SER 161 CO 0.02 -0.16 1.96 0.25 1.20 0.00 0.00 173.24 176.52 3ggj h LEU 162 N 7.31 0.69 -7.89 3.45 5.85 -1.54 -1.26 115.31 121.93 3ggj h LEU 162 Ca -0.41 0.00 -0.43 0.00 0.84 0.00 0.00 57.88 57.88 3ggj h LEU 162 Cb 1.14 -0.15 -0.32 0.00 0.37 0.00 0.00 40.66 41.70 3ggj h LEU 162 CO 0.40 0.46 -0.79 -0.76 -0.34 0.00 0.00 178.44 177.42 3ggj s LEU 163 N -9.73 1.61 -0.15 2.25 1.02 -0.91 0.12 118.68 112.88 3ggj s LEU 163 Ca -0.10 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3ggj s LEU 163 Cb 0.19 -0.55 0.02 0.00 0.02 0.00 0.00 46.19 45.87 3ggj s LEU 163 CO 0.77 0.02 -0.17 -0.69 0.02 0.00 0.00 176.35 176.30 3ggj s VAL 164 N 0.52 1.79 0.37 -1.59 1.01 0.14 0.18 120.40 122.82 3ggj s VAL 164 Ca -0.08 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 3ggj s VAL 164 Cb -0.12 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 3ggj s VAL 164 CO 0.01 0.50 0.85 -0.54 0.00 0.00 0.00 175.10 175.92 3ggj s LYS 165 N 1.24 4.16 -1.07 2.72 1.02 0.54 -1.32 119.74 127.03 3ggj s LYS 165 Ca 0.01 0.93 -0.15 0.00 0.02 0.00 0.00 55.97 56.78 3ggj s LYS 165 Cb -0.14 -2.35 0.17 0.00 -0.52 0.00 0.00 37.83 34.99 3ggj s LYS 165 CO -0.09 0.09 1.25 0.50 -0.92 0.00 0.00 175.35 176.18 3ggj s ARG 166 N -2.98 3.88 0.15 1.68 3.52 -0.68 -4.83 118.95 119.70 3ggj s ARG 166 Ca 0.57 -2.31 0.01 0.00 -0.13 0.00 0.00 55.73 53.87 3ggj s ARG 166 Cb -0.10 -4.93 -0.04 0.00 -1.56 0.00 0.00 34.95 28.31 3ggj s ARG 166 CO 0.16 -1.70 0.01 0.99 -0.81 0.00 0.00 175.30 173.95 3ggj s THR 167 N 1.69 0.52 0.05 4.11 2.01 -1.26 -4.28 115.64 118.47 3ggj s THR 167 Ca 0.36 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.11 3ggj s THR 167 Cb -0.05 -2.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 3ggj s THR 167 CO -0.05 -0.52 1.87 -2.84 -0.69 0.00 0.00 174.62 172.40 3ggj s PRO 168 N -3.94 4.15 0.10 4.92 0.02 -1.26 -5.02 135.00 133.97 3ggj s PRO 168 Ca 0.22 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.77 3ggj s PRO 168 Cb 0.06 -3.96 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 3ggj s PRO 168 CO 0.02 -0.90 0.04 -0.98 -0.33 0.00 0.00 177.00 174.86 3ggj s ARG 169 N 3.85 0.83 0.00 5.54 1.04 -1.26 -4.75 118.95 124.19 3ggj s ARG 169 Ca 0.84 -1.34 0.03 0.00 -1.04 0.00 0.00 55.73 54.22 3ggj s ARG 169 Cb -0.42 0.24 0.16 0.00 -2.04 0.00 0.00 34.95 32.89 3ggj s ARG 169 CO 0.38 -0.22 0.87 0.43 -0.04 0.00 0.00 175.30 176.73 3ggj n SER 170 N -0.03 0.00 -2.38 -2.89 7.64 -1.26 -4.92 113.62 109.78 3ggj n SER 170 Ca -0.09 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3ggj n SER 170 Cb 0.63 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3ggj n SER 170 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3ggj n VAL 171 N -1.24 -0.74 0.00 0.44 3.14 -1.26 -4.99 118.33 113.68 3ggj n VAL 171 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3ggj n VAL 171 Cb 0.02 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 30.88 3ggj n VAL 171 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ggj n GLY 172 N 2.19 0.00 0.59 7.55 0.00 -1.26 -5.00 105.19 109.26 3ggj n GLY 172 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ggj n GLY 172 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ggj n TYR 173 N -2.41 0.00 0.00 1.61 0.18 -1.26 -5.14 117.16 110.14 3ggj n TYR 173 Ca 0.00 -0.07 0.00 0.00 1.88 0.00 0.00 57.90 59.71 3ggj n TYR 173 Cb 0.40 0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 3ggj n TYR 173 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3ggj n LYS 174 N 0.02 0.00 -1.58 -3.48 4.76 -1.26 -4.79 118.16 111.84 3ggj n LYS 174 Ca -0.02 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.08 3ggj n LYS 174 Cb 0.60 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.86 3ggj n LYS 174 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ggj s PRO 175 N 0.00 2.39 -0.02 1.97 0.04 -1.26 -4.98 135.00 133.14 3ggj s PRO 175 Ca 0.00 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3ggj s PRO 175 Cb 0.00 -1.87 -0.32 0.00 0.04 0.00 0.00 34.50 32.35 3ggj s PRO 175 CO 0.00 -1.62 0.77 -0.44 0.04 0.00 0.00 177.00 175.75 3ggj h ASP 176 N -0.09 0.65 -3.26 6.66 5.19 -1.63 -3.45 116.42 120.49 3ggj h ASP 176 Ca -0.48 -0.89 -0.65 0.00 -0.62 0.00 0.00 57.03 54.39 3ggj h ASP 176 Cb 1.28 -0.21 -0.34 0.00 0.18 0.00 0.00 39.33 40.24 3ggj h ASP 176 CO 0.51 1.74 -0.86 -0.36 -3.12 0.00 0.00 179.24 177.15 3ggj s PHE 177 N -2.59 2.45 -0.13 4.55 0.08 -0.29 -4.97 117.98 117.08 3ggj s PHE 177 Ca -0.14 -1.15 -0.01 0.00 0.12 0.00 0.00 56.93 55.76 3ggj s PHE 177 Cb 0.05 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 3ggj s PHE 177 CO 0.88 -0.52 -0.06 0.08 -0.10 0.00 0.00 175.22 175.50 3ggj s VAL 178 N 0.71 1.01 0.02 -0.44 1.01 -1.26 -1.29 120.40 120.15 3ggj s VAL 178 Ca -0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3ggj s VAL 178 Cb -0.16 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 3ggj s VAL 178 CO 0.01 0.26 1.10 1.23 0.00 0.00 0.00 175.10 177.71 3ggj h GLY 179 N 8.17 -0.60 -5.90 4.51 0.00 -0.92 -3.37 103.07 104.96 3ggj h GLY 179 Ca -0.27 0.22 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 3ggj h GLY 179 CO 0.40 -0.22 -0.69 -1.36 0.00 0.00 0.00 176.54 174.67 3ggj s PHE 180 N -4.02 -0.03 -0.44 5.60 0.40 0.32 -1.96 117.98 117.85 3ggj s PHE 180 Ca -0.08 0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 3ggj s PHE 180 Cb 0.01 -0.07 0.08 0.00 0.51 0.00 0.00 43.02 43.55 3ggj s PHE 180 CO 0.25 -0.06 0.32 -2.00 0.70 0.00 0.00 175.22 174.44 3ggj s GLU 181 N 0.46 2.73 0.26 0.44 2.12 -0.02 -0.69 118.70 124.01 3ggj s GLU 181 Ca -0.04 -1.46 0.08 0.00 0.36 0.00 0.00 54.97 53.91 3ggj s GLU 181 Cb -0.05 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 3ggj s GLU 181 CO -0.02 -1.01 0.14 0.96 -0.54 0.00 0.00 175.26 174.80 3ggj s ILE 182 N 1.50 4.14 1.07 -3.70 -4.36 -0.43 -0.15 121.20 119.27 3ggj s ILE 182 Ca 0.04 -1.55 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 3ggj s ILE 182 Cb -0.24 -3.24 0.23 0.00 1.25 0.00 0.00 42.46 40.46 3ggj s ILE 182 CO 0.03 -0.35 1.07 -2.84 0.24 0.00 0.00 174.94 173.09 3ggj s PRO 183 N -3.80 -0.19 -1.12 0.37 0.02 -1.24 -1.69 135.00 127.35 3ggj s PRO 183 Ca 0.33 0.62 -0.19 0.00 0.02 0.00 0.00 61.00 61.77 3ggj s PRO 183 Cb -0.07 -1.66 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 3ggj s PRO 183 CO 0.24 -3.18 1.98 -3.47 -0.33 0.00 0.00 177.00 172.24 3ggj n ASP 184 N -4.50 3.39 -4.16 2.53 4.64 -1.26 -4.47 116.55 112.73 3ggj n ASP 184 Ca 0.04 -2.77 -0.13 0.00 -1.38 0.00 0.00 54.79 50.55 3ggj n ASP 184 Cb 0.56 -1.49 -0.11 0.00 -1.04 0.00 0.00 41.12 39.05 3ggj n ASP 184 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3ggj s LYS 185 N 4.67 0.80 -0.35 -0.67 -0.14 -1.26 -5.09 119.74 117.70 3ggj s LYS 185 Ca 0.56 -1.15 -0.22 0.00 -1.36 0.00 0.00 55.97 53.80 3ggj s LYS 185 Cb 0.10 -0.40 0.01 0.00 -1.68 0.00 0.00 37.83 35.85 3ggj s LYS 185 CO 0.06 0.05 0.74 0.12 -0.76 0.00 0.00 175.35 175.55 3ggj s PHE 186 N -2.62 3.14 0.08 3.18 5.36 -1.26 -5.03 117.98 120.82 3ggj s PHE 186 Ca 0.05 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 56.61 3ggj s PHE 186 Cb -0.02 -3.28 -0.04 0.00 -0.34 0.00 0.00 43.02 39.35 3ggj s PHE 186 CO -0.01 -0.66 -0.07 0.14 -1.46 0.00 0.00 175.22 173.16 3ggj s VAL 187 N 2.94 3.60 0.22 3.12 -7.23 -1.26 -1.08 120.40 120.72 3ggj s VAL 187 Ca 0.29 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3ggj s VAL 187 Cb -0.14 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 3ggj s VAL 187 CO 0.15 0.17 0.15 0.68 -0.31 0.00 0.00 175.10 175.94 3ggj s VAL 188 N -1.20 0.02 0.00 1.32 -7.23 0.74 -4.88 120.40 109.16 3ggj s VAL 188 Ca 0.22 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3ggj s VAL 188 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3ggj s VAL 188 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3ggj n GLY 189 N -0.33 0.59 6.30 2.32 0.00 0.17 -1.20 105.19 113.04 3ggj n GLY 189 Ca 0.03 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3ggj n GLY 189 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ggj n TYR 190 N 0.57 0.00 0.23 1.61 9.36 0.24 -0.41 117.16 128.76 3ggj n TYR 190 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 3ggj n TYR 190 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 3ggj n TYR 190 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ggj n ALA 191 N 6.19 2.86 -3.06 2.98 0.00 -1.26 -4.90 120.51 123.32 3ggj n ALA 191 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 3ggj n ALA 191 Cb 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 3ggj n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ggj s LEU 192 N -4.71 3.97 0.00 0.00 2.01 0.45 -4.88 118.68 115.53 3ggj s LEU 192 Ca -0.01 -0.66 -0.01 0.00 0.01 0.00 0.00 54.13 53.46 3ggj s LEU 192 Cb 0.12 -1.93 0.14 0.00 0.01 0.00 0.00 46.19 44.53 3ggj s LEU 192 CO 0.82 -0.20 0.97 -0.90 1.01 0.00 0.00 176.35 178.05 3ggj n ASP 193 N 4.91 1.23 -3.50 2.29 5.75 -1.26 0.43 116.55 126.40 3ggj n ASP 193 Ca -0.14 -2.05 -0.24 0.00 -0.01 0.00 0.00 54.79 52.35 3ggj n ASP 193 Cb 0.48 -0.64 -0.13 0.00 -1.03 0.00 0.00 41.12 39.80 3ggj n ASP 193 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ggj s TYR 194 N -2.98 -0.01 -1.28 2.11 5.04 -0.62 -4.86 117.35 114.74 3ggj s TYR 194 Ca 0.64 -0.46 -0.24 0.00 -2.44 0.00 0.00 57.07 54.57 3ggj s TYR 194 Cb -0.03 -0.67 0.03 0.00 0.35 0.00 0.00 41.96 41.63 3ggj s TYR 194 CO 0.42 -0.79 0.55 0.09 -1.34 0.00 0.00 175.55 174.48 3ggj n ASN 195 N 5.28 -3.03 0.00 4.32 3.02 -1.26 -1.82 115.26 121.77 3ggj n ASN 195 Ca -0.05 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 3ggj n ASN 195 Cb 0.45 -2.00 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3ggj n ASN 195 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ggj n GLU 196 N -4.80 -0.30 -3.52 3.52 -0.58 -1.26 -4.97 120.64 108.73 3ggj n GLU 196 Ca -0.17 0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.45 3ggj n GLU 196 Cb 0.60 -3.41 -0.01 0.00 -0.57 0.00 0.00 31.44 28.05 3ggj n GLU 196 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ggj s TYR 197 N -2.40 2.98 0.00 -0.32 2.02 -0.76 -4.53 117.35 114.34 3ggj s TYR 197 Ca 0.00 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3ggj s TYR 197 Cb 0.00 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 3ggj s TYR 197 CO 0.00 -0.01 0.00 1.19 -1.57 0.00 0.00 175.55 175.16 3ggj n PHE 198 N -1.58 0.00 0.16 2.71 3.72 -1.26 -1.59 117.46 119.61 3ggj n PHE 198 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 3ggj n PHE 198 Cb 0.59 -0.59 0.38 0.00 -0.94 0.00 0.00 39.48 38.93 3ggj n PHE 198 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ggj h ARG 199 N 1.41 0.11 -0.00 -1.08 3.08 -1.86 -0.78 114.38 115.26 3ggj h ARG 199 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ggj h ARG 199 Cb 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ggj h ARG 199 CO 0.00 0.36 -0.03 -0.40 -1.07 0.00 0.00 179.97 178.83 3ggj n ASP 200 N -4.20 0.16 -4.61 7.04 5.75 -1.26 -4.73 116.55 114.70 3ggj n ASP 200 Ca -0.02 -0.42 -0.41 0.00 -0.01 0.00 0.00 54.79 53.93 3ggj n ASP 200 Cb 0.34 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 3ggj n ASP 200 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ggj s LEU 201 N -2.44 4.10 0.37 -2.12 2.96 -0.30 -4.92 118.68 116.33 3ggj s LEU 201 Ca 0.32 0.62 0.22 0.00 -0.22 0.00 0.00 54.13 55.06 3ggj s LEU 201 Cb 0.20 -2.96 0.24 0.00 0.50 0.00 0.00 46.19 44.17 3ggj s LEU 201 CO 0.45 -0.53 1.47 0.78 -1.32 0.00 0.00 176.35 177.20 3ggj h ASN 202 N 8.08 0.00 -2.46 3.68 4.21 -1.85 0.68 115.58 127.92 3ggj h ASN 202 Ca -0.25 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.73 3ggj h ASN 202 Cb 1.11 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.26 3ggj h ASN 202 CO 0.84 0.06 -0.51 -1.00 -1.29 0.00 0.00 177.43 175.53 3ggj s HIS 203 N -3.21 3.28 -0.24 1.19 3.76 -1.26 -3.86 115.29 114.94 3ggj s HIS 203 Ca 0.05 -0.00 -0.18 0.00 -0.15 0.00 0.00 55.06 54.77 3ggj s HIS 203 Cb 0.06 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 3ggj s HIS 203 CO 0.70 0.51 0.53 0.08 -0.85 0.00 0.00 174.74 175.71 3ggj s VAL 204 N -1.87 5.07 0.15 -0.90 1.01 -0.64 -3.31 120.40 119.91 3ggj s VAL 204 Ca 0.33 0.93 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3ggj s VAL 204 Cb -0.10 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3ggj s VAL 204 CO 0.26 0.10 -0.08 0.00 0.00 0.00 0.00 175.10 175.39 3ggj s VAL 206 N -3.41 4.98 0.41 0.00 1.01 -0.97 -0.19 120.40 122.24 3ggj s VAL 206 Ca 0.18 1.49 -0.24 0.00 0.00 0.00 0.00 61.98 63.41 3ggj s VAL 206 Cb 0.04 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3ggj s VAL 206 CO 0.01 0.15 1.15 -0.51 0.00 0.00 0.00 175.10 175.90 3ggj s ILE 207 N 1.42 3.24 0.70 2.22 2.07 -0.24 -0.46 121.20 130.14 3ggj s ILE 207 Ca 0.37 0.99 0.03 0.00 -1.41 0.00 0.00 60.65 60.64 3ggj s ILE 207 Cb -0.17 -3.54 0.13 0.00 0.13 0.00 0.00 42.46 39.01 3ggj s ILE 207 CO 0.15 0.05 0.96 -0.94 -1.91 0.00 0.00 174.94 173.26 3ggj s SER 208 N -1.26 4.46 0.20 4.50 1.04 -0.57 -4.53 113.70 117.54 3ggj s SER 208 Ca 0.59 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.40 3ggj s SER 208 Cb -0.29 0.31 0.12 0.00 0.10 0.00 0.00 66.02 66.27 3ggj s SER 208 CO 0.36 -1.81 1.47 -0.33 0.98 0.00 0.00 173.24 173.91 3ggj h GLU 209 N -0.37 0.25 -0.47 4.02 4.39 -1.89 -1.94 114.58 118.58 3ggj h GLU 209 Ca -0.32 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 3ggj h GLU 209 Cb 1.27 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 3ggj h GLU 209 CO 0.38 0.87 0.18 1.15 -1.16 0.00 0.00 179.01 180.43 3ggj h THR 210 N 0.16 1.21 -0.32 1.13 2.02 -1.92 -2.54 112.91 112.66 3ggj h THR 210 Ca -0.02 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 3ggj h THR 210 Cb 1.29 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3ggj h THR 210 CO 0.11 0.25 -0.26 1.23 0.37 0.00 0.00 175.52 177.22 3ggj h GLY 211 N 0.62 0.69 0.93 2.16 0.00 -1.70 0.32 103.07 106.09 3ggj h GLY 211 Ca 0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3ggj h GLY 211 CO -0.01 0.54 0.13 0.50 0.00 0.00 0.00 176.54 177.71 3ggj h LYS 212 N 0.56 0.46 -0.01 4.80 1.57 -1.28 -0.77 116.57 121.89 3ggj h LYS 212 Ca 0.07 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3ggj h LYS 212 Cb 0.74 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3ggj h LYS 212 CO 0.06 0.46 -0.82 0.00 -0.57 0.00 0.00 179.45 178.58 3ggj h ALA 213 N 0.98 0.60 -0.10 3.86 0.00 -1.32 -3.30 119.26 119.98 3ggj h ALA 213 Ca 0.11 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3ggj h ALA 213 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ggj h ALA 213 CO -0.01 0.89 -0.35 -0.22 0.00 0.00 0.00 179.25 179.56 3ggj h LYS 214 N 0.11 0.41 -1.87 0.00 3.64 -0.87 -3.30 116.57 114.69 3ggj h LYS 214 Ca -0.03 -0.31 -0.48 0.00 -1.27 0.00 0.00 60.65 58.56 3ggj h LYS 214 Cb 1.42 0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 33.12 3ggj h LYS 214 CO 0.12 0.94 0.43 0.66 -2.27 0.00 0.00 179.45 179.33 3ggj n TYR 215 N -4.38 1.67 0.00 1.91 4.01 -0.30 -4.93 117.16 115.14 3ggj n TYR 215 Ca -0.08 -1.99 0.00 0.00 -0.16 0.00 0.00 57.90 55.67 3ggj n TYR 215 Cb 0.51 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 3ggj n TYR 215 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3ggj n LYS 216 N 0.67 0.00 0.00 -0.72 2.85 -1.24 -4.71 118.16 115.01 3ggj n LYS 216 Ca 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 3ggj n LYS 216 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 3ggj n LYS 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35