#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggx s ILE 8 N 0.00 4.76 0.70 2.52 1.01 -1.26 -4.99 121.20 123.94 1ggx s ILE 8 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1ggx s ILE 8 Cb 0.00 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 37.96 1ggx s ILE 8 CO 0.00 -1.18 1.10 -0.54 0.00 0.00 0.00 174.94 174.31 1ggx s LYS 9 N 2.85 2.86 0.54 2.79 -0.14 -1.26 -4.94 119.74 122.44 1ggx s LYS 9 Ca 0.13 0.46 0.25 0.00 -1.36 0.00 0.00 55.97 55.45 1ggx s LYS 9 Cb -0.23 -2.02 1.41 0.00 -1.68 0.00 0.00 37.83 35.31 1ggx s LYS 9 CO 0.06 -1.03 2.01 0.93 -0.76 0.00 0.00 175.35 176.56 1ggx h GLU 10 N -0.65 0.00 -4.67 1.68 5.08 -1.96 -3.38 114.58 110.68 1ggx h GLU 10 Ca -0.45 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.35 1ggx h GLU 10 Cb 1.25 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.16 1ggx h GLU 10 CO 0.64 0.00 -0.83 0.12 -1.00 0.00 0.00 179.01 177.94 1ggx s PHE 11 N -4.97 1.78 0.00 4.33 5.36 -1.26 -4.06 117.98 119.15 1ggx s PHE 11 Ca -0.05 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1ggx s PHE 11 Cb 0.19 -1.29 -0.00 0.00 -0.34 0.00 0.00 43.02 41.58 1ggx s PHE 11 CO 0.71 -0.40 -0.01 -1.64 -1.46 0.00 0.00 175.22 172.42 1ggx s MET 12 N 0.87 0.11 0.37 10.12 -1.94 -0.53 -5.00 119.30 123.30 1ggx s MET 12 Ca -0.10 -0.11 0.08 0.00 -1.71 0.00 0.00 55.69 53.85 1ggx s MET 12 Cb -0.15 -0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 1ggx s MET 12 CO 0.01 0.01 0.27 1.03 -0.01 0.00 0.00 175.02 176.33 1ggx s ARG 13 N -0.22 2.55 0.07 2.03 0.52 -1.26 -1.05 118.95 121.59 1ggx s ARG 13 Ca -0.02 -1.46 -0.15 0.00 -0.52 0.00 0.00 55.73 53.58 1ggx s ARG 13 Cb -0.02 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.14 1ggx s ARG 13 CO -0.00 0.00 0.36 -0.59 0.02 0.00 0.00 175.30 175.09 1ggx s PHE 14 N -2.40 -0.16 0.02 -0.53 -0.12 0.09 -1.88 117.98 112.99 1ggx s PHE 14 Ca 0.42 -0.02 0.07 0.00 -0.05 0.00 0.00 56.93 57.35 1ggx s PHE 14 Cb -0.04 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1ggx s PHE 14 CO 0.26 -0.59 -0.22 0.15 -0.05 0.00 0.00 175.22 174.76 1ggx s LYS 15 N -3.04 1.64 0.02 1.99 1.02 -0.18 -0.14 119.74 121.06 1ggx s LYS 15 Ca -0.02 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1ggx s LYS 15 Cb 0.01 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1ggx s LYS 15 CO -0.06 0.45 -0.04 0.54 -0.92 0.00 0.00 175.35 175.32 1ggx s VAL 16 N -0.68 0.21 -0.02 3.17 0.11 -0.48 -0.44 120.40 122.27 1ggx s VAL 16 Ca 0.09 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1ggx s VAL 16 Cb -0.09 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1ggx s VAL 16 CO 0.01 -0.33 0.02 -0.60 -3.33 0.00 0.00 175.10 170.86 1ggx s ARG 17 N -1.11 0.07 -0.05 1.54 3.52 -0.50 -0.18 118.95 122.23 1ggx s ARG 17 Ca -0.10 0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1ggx s ARG 17 Cb -0.08 -0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.00 1ggx s ARG 17 CO -0.00 -0.15 -0.22 1.41 -0.81 0.00 0.00 175.30 175.53 1ggx s MET 18 N 1.00 2.22 -0.22 5.12 -2.45 0.15 -0.63 119.30 124.48 1ggx s MET 18 Ca -0.09 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1ggx s MET 18 Cb -0.12 -1.90 0.01 0.00 1.25 0.00 0.00 34.83 34.07 1ggx s MET 18 CO -0.02 0.33 -0.09 -1.21 1.05 0.00 0.00 175.02 175.07 1ggx s GLU 19 N -0.09 3.03 0.24 4.11 2.02 -0.07 -0.63 118.70 127.30 1ggx s GLU 19 Ca -0.04 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.13 1ggx s GLU 19 Cb -0.13 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1ggx s GLU 19 CO 0.03 -0.29 0.15 0.20 0.02 0.00 0.00 175.26 175.37 1ggx s GLY 20 N 1.36 1.68 -0.13 -1.39 0.00 -0.51 -1.38 107.32 106.96 1ggx s GLY 20 Ca 0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 44.72 42.86 1ggx s GLY 20 CO -0.06 -1.45 0.34 -1.59 0.00 0.00 0.00 173.10 170.33 1ggx s THR 21 N -3.95 -0.01 -0.03 0.90 2.01 -0.39 -1.33 115.64 112.84 1ggx s THR 21 Ca 0.39 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1ggx s THR 21 Cb 0.06 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1ggx s THR 21 CO 0.15 0.01 0.05 -0.69 -0.69 0.00 0.00 174.62 173.46 1ggx s VAL 22 N 0.51 -0.09 -1.57 3.82 1.01 -0.45 -0.21 120.40 123.41 1ggx s VAL 22 Ca -0.03 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1ggx s VAL 22 Cb -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.28 1ggx s VAL 22 CO -0.03 0.15 0.44 0.59 0.00 0.00 0.00 175.10 176.26 1ggx n ASN 23 N 4.95 -1.01 0.00 3.32 4.13 -0.50 -0.44 115.26 125.70 1ggx n ASN 23 Ca -0.11 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.06 1ggx n ASN 23 Cb 0.50 -2.50 0.00 0.00 -1.54 0.00 0.00 39.78 36.24 1ggx n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggx n GLY 24 N -1.87 1.33 3.57 7.41 0.00 -1.26 -5.01 105.19 109.36 1ggx n GLY 24 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1ggx n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ggx s HIS 25 N -3.69 3.22 0.21 1.61 5.04 0.41 -5.07 115.29 117.03 1ggx s HIS 25 Ca 0.00 0.09 -0.15 0.00 -1.54 0.00 0.00 55.06 53.46 1ggx s HIS 25 Cb 0.00 -2.51 -0.08 0.00 0.04 0.00 0.00 32.58 30.03 1ggx s HIS 25 CO 0.00 -0.28 0.62 -1.21 -2.34 0.00 0.00 174.74 171.54 1ggx s GLU 26 N 1.88 4.01 0.21 2.88 2.02 -1.26 -1.34 118.70 127.11 1ggx s GLU 26 Ca 0.10 0.57 -0.21 0.00 0.02 0.00 0.00 54.97 55.44 1ggx s GLU 26 Cb -0.16 -2.77 0.04 0.00 0.10 0.00 0.00 34.13 31.34 1ggx s GLU 26 CO 0.11 0.36 0.63 -0.59 0.02 0.00 0.00 175.26 175.79 1ggx s PHE 27 N -1.65 -0.31 -0.01 1.61 -0.12 -0.45 -4.30 117.98 112.76 1ggx s PHE 27 Ca 0.44 -0.03 -0.02 0.00 -0.05 0.00 0.00 56.93 57.28 1ggx s PHE 27 Cb -0.14 0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1ggx s PHE 27 CO 0.20 -1.01 0.04 -1.21 -0.05 0.00 0.00 175.22 173.18 1ggx s GLU 28 N -3.84 0.13 -0.00 1.99 2.02 0.40 -1.42 118.70 117.98 1ggx s GLU 28 Ca 0.07 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1ggx s GLU 28 Cb -0.03 0.05 -0.00 0.00 0.10 0.00 0.00 34.13 34.25 1ggx s GLU 28 CO -0.03 -0.02 -0.03 0.42 0.02 0.00 0.00 175.26 175.61 1ggx s ILE 29 N -0.37 0.25 0.09 -1.63 1.01 0.20 -1.17 121.20 119.58 1ggx s ILE 29 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1ggx s ILE 29 Cb -0.03 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1ggx s ILE 29 CO -0.00 0.04 -0.19 -1.61 0.00 0.00 0.00 174.94 173.18 1ggx s GLU 30 N -0.16 1.05 0.32 2.79 2.02 -0.84 0.29 118.70 124.18 1ggx s GLU 30 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.75 1ggx s GLU 30 Cb -0.02 -1.26 0.02 0.00 0.10 0.00 0.00 34.13 32.98 1ggx s GLU 30 CO -0.00 0.29 0.64 0.20 0.02 0.00 0.00 175.26 176.41 1ggx s GLY 31 N -1.86 0.51 -0.11 -1.39 0.00 0.74 -0.97 107.32 104.25 1ggx s GLY 31 Ca 0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 1ggx s GLY 31 CO 0.04 -0.46 0.27 -0.54 0.00 0.00 0.00 173.10 172.40 1ggx s GLU 32 N -3.24 0.27 0.19 2.90 2.02 -0.42 -1.39 118.70 119.04 1ggx s GLU 32 Ca 0.19 0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.68 1ggx s GLU 32 Cb -0.03 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1ggx s GLU 32 CO 0.11 -0.10 0.17 0.41 0.02 0.00 0.00 175.26 175.88 1ggx n GLY 33 N 3.57 3.33 3.76 -1.39 0.00 0.80 -0.47 105.19 114.79 1ggx n GLY 33 Ca -0.19 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1ggx n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggx s GLU 34 N -2.76 1.29 0.00 1.61 -1.05 -0.27 -0.73 118.70 116.80 1ggx s GLU 34 Ca 0.23 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1ggx s GLU 34 Cb 0.01 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1ggx s GLU 34 CO 0.16 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.19 1ggx n GLY 35 N -0.46 -1.53 2.97 -3.83 0.00 -0.22 -0.54 105.19 101.59 1ggx n GLY 35 Ca -0.06 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 1ggx n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggx s ARG 36 N -1.30 1.88 0.50 1.61 0.52 -0.12 -1.46 118.95 120.59 1ggx s ARG 36 Ca 0.00 -2.43 0.30 0.00 -0.52 0.00 0.00 55.73 53.08 1ggx s ARG 36 Cb 0.00 -3.31 1.41 0.00 0.52 0.00 0.00 34.95 33.56 1ggx s ARG 36 CO 0.00 -1.07 1.82 -1.00 0.02 0.00 0.00 175.30 175.07 1ggx h PRO 37 N 6.80 0.11 -0.01 3.54 0.13 -1.79 0.07 132.00 140.85 1ggx h PRO 37 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1ggx h PRO 37 Cb 0.93 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ggx h PRO 37 CO 0.65 0.07 -0.23 0.66 -0.23 0.00 0.00 178.00 178.92 1ggx n TYR 38 N -4.33 0.00 0.40 1.56 4.01 -1.26 -3.84 117.16 113.71 1ggx n TYR 38 Ca 0.23 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.02 1ggx n TYR 38 Cb 1.06 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.91 1ggx n TYR 38 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ggx n GLU 39 N -0.65 3.58 -1.81 -0.72 1.02 -0.06 -4.77 120.64 117.23 1ggx n GLU 39 Ca 0.13 -0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1ggx n GLU 39 Cb 0.34 -0.97 -0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1ggx n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggx n GLY 40 N 1.29 0.37 3.13 0.62 0.00 -0.77 -4.76 105.19 105.06 1ggx n GLY 40 Ca 0.01 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1ggx n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ggx s HIS 41 N -2.01 1.40 -0.20 1.61 3.76 -1.22 -0.78 115.29 117.84 1ggx s HIS 41 Ca 0.00 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 1ggx s HIS 41 Cb 0.00 -0.90 0.09 0.00 1.11 0.00 0.00 32.58 32.88 1ggx s HIS 41 CO 0.00 -0.03 0.81 0.54 -0.85 0.00 0.00 174.74 175.22 1ggx s ASN 42 N -0.35 -0.62 0.25 1.40 2.20 -0.89 -0.94 114.94 115.99 1ggx s ASN 42 Ca 0.06 1.01 0.09 0.00 -0.94 0.00 0.00 52.86 53.08 1ggx s ASN 42 Cb -0.06 0.97 -0.05 0.00 -2.00 0.00 0.00 41.25 40.11 1ggx s ASN 42 CO -0.01 -0.33 -0.15 0.42 -2.94 0.00 0.00 177.10 174.09 1ggx s THR 43 N -0.22 2.05 -0.10 0.54 -4.23 0.30 -1.14 115.64 112.83 1ggx s THR 43 Ca -0.02 -2.28 -0.16 0.00 -1.18 0.00 0.00 61.69 58.05 1ggx s THR 43 Cb -0.03 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.62 1ggx s THR 43 CO 0.02 -0.47 0.40 0.54 -0.54 0.00 0.00 174.62 174.57 1ggx s VAL 44 N -2.77 0.02 -0.15 2.29 0.11 -0.70 -1.11 120.40 118.08 1ggx s VAL 44 Ca 0.27 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1ggx s VAL 44 Cb -0.02 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1ggx s VAL 44 CO 0.11 -0.09 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.85 1ggx s LYS 45 N -0.42 3.10 0.28 1.54 2.47 0.38 -0.84 119.74 126.25 1ggx s LYS 45 Ca -0.05 -0.81 0.10 0.00 -1.56 0.00 0.00 55.97 53.65 1ggx s LYS 45 Cb -0.03 -2.52 -0.05 0.00 -1.46 0.00 0.00 37.83 33.77 1ggx s LYS 45 CO 0.03 -0.00 -0.04 -0.51 0.16 0.00 0.00 175.35 174.98 1ggx s LEU 46 N 0.82 3.06 -0.12 5.43 2.01 0.88 -1.29 118.68 129.46 1ggx s LEU 46 Ca -0.06 -0.75 -0.05 0.00 0.01 0.00 0.00 54.13 53.27 1ggx s LEU 46 Cb -0.15 -1.56 0.06 0.00 0.01 0.00 0.00 46.19 44.54 1ggx s LEU 46 CO -0.01 -0.02 0.26 -0.75 1.01 0.00 0.00 176.35 176.84 1ggx s LYS 47 N -3.65 0.18 -0.34 1.70 2.47 -0.14 -2.13 119.74 117.83 1ggx s LYS 47 Ca 0.32 0.67 -0.29 0.00 -1.56 0.00 0.00 55.97 55.11 1ggx s LYS 47 Cb -0.06 -0.06 0.01 0.00 -1.46 0.00 0.00 37.83 36.26 1ggx s LYS 47 CO 0.19 -0.24 1.29 0.08 0.16 0.00 0.00 175.35 176.84 1ggx s VAL 48 N 1.96 4.12 -0.17 4.02 1.01 0.23 -1.98 120.40 129.58 1ggx s VAL 48 Ca -0.03 1.24 0.22 0.00 0.00 0.00 0.00 61.98 63.41 1ggx s VAL 48 Cb -0.11 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 1ggx s VAL 48 CO -0.09 -0.58 0.86 0.35 0.00 0.00 0.00 175.10 175.64 1ggx n THR 49 N 6.42 0.46 -3.73 3.92 -2.24 -0.31 -4.77 114.28 114.02 1ggx n THR 49 Ca 0.15 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1ggx n THR 49 Cb 0.47 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 1ggx n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ggx s LYS 50 N -3.39 0.48 0.00 -0.78 2.20 -1.05 -4.90 119.74 112.30 1ggx s LYS 50 Ca -0.03 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1ggx s LYS 50 Cb 0.11 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1ggx s LYS 50 CO 0.83 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 176.17 1ggx n GLY 51 N 2.87 0.92 3.80 5.54 0.00 -1.26 -0.45 105.19 116.60 1ggx n GLY 51 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1ggx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ggx s GLY 52 N -1.77 2.57 0.33 -0.02 0.00 -1.26 -3.86 107.32 103.31 1ggx s GLY 52 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 45.03 1ggx s GLY 52 CO 0.00 0.93 1.01 2.56 0.00 0.00 0.00 173.10 177.60 1ggx s PRO 53 N -2.92 4.50 0.31 2.90 0.04 -1.26 -5.11 135.00 133.45 1ggx s PRO 53 Ca 0.62 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1ggx s PRO 53 Cb -0.16 -2.86 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 1ggx s PRO 53 CO 0.21 0.17 1.36 -0.51 0.04 0.00 0.00 177.00 178.26 1ggx s LEU 54 N -2.00 4.40 -0.16 -3.56 1.43 -1.25 -4.91 118.68 112.63 1ggx s LEU 54 Ca 0.50 2.70 0.05 0.00 -1.03 0.00 0.00 54.13 56.36 1ggx s LEU 54 Cb -0.23 -3.64 0.40 0.00 0.03 0.00 0.00 46.19 42.75 1ggx s LEU 54 CO 0.29 -0.61 1.27 -0.81 0.23 0.00 0.00 176.35 176.72 1ggx n PRO 55 N 1.27 2.57 -4.01 1.29 -0.04 -1.26 -4.90 135.00 129.92 1ggx n PRO 55 Ca 0.02 -1.63 -0.10 0.00 -0.04 0.00 0.00 63.50 61.76 1ggx n PRO 55 Cb 0.41 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1ggx n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ggx s PHE 56 N -1.85 0.51 0.14 0.54 -0.12 -1.26 -4.64 117.98 111.30 1ggx s PHE 56 Ca 0.29 -0.85 -0.31 0.00 -0.05 0.00 0.00 56.93 56.01 1ggx s PHE 56 Cb 0.23 -0.07 -0.11 0.00 -0.63 0.00 0.00 43.02 42.45 1ggx s PHE 56 CO 0.07 -0.79 1.79 0.00 -0.05 0.00 0.00 175.22 176.24 1ggx s ALA 57 N -4.01 3.81 0.33 1.99 0.00 0.47 -4.90 121.76 119.44 1ggx s ALA 57 Ca 0.22 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1ggx s ALA 57 Cb 0.03 -3.74 0.57 0.00 0.00 0.00 0.00 23.12 19.98 1ggx s ALA 57 CO 0.05 -1.13 1.97 2.35 0.00 0.00 0.00 175.76 179.00 1ggx h TRP 58 N 8.07 0.91 -1.33 0.00 2.91 -1.96 -3.02 115.95 121.54 1ggx h TRP 58 Ca -0.45 0.02 0.40 0.00 1.13 0.00 0.00 58.89 60.00 1ggx h TRP 58 Cb 1.21 -0.31 -0.10 0.00 -0.51 0.00 0.00 29.16 29.45 1ggx h TRP 58 CO 0.75 0.54 0.89 -0.44 -1.03 0.00 0.00 178.44 179.15 1ggx h ASP 59 N 0.96 0.21 0.95 2.65 3.32 -1.95 0.35 116.42 122.91 1ggx h ASP 59 Ca 0.30 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1ggx h ASP 59 Cb 0.02 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ggx h ASP 59 CO -0.08 -0.07 -0.00 0.16 -1.72 0.00 0.00 179.24 177.52 1ggx h ILE 60 N 0.13 0.01 0.00 0.35 3.07 -1.94 -3.13 117.51 116.00 1ggx h ILE 60 Ca 0.75 -0.48 -0.29 0.00 1.55 0.00 0.00 64.86 66.39 1ggx h ILE 60 Cb 2.46 1.48 -0.05 0.00 -0.27 0.00 0.00 36.82 40.43 1ggx h ILE 60 CO -0.27 0.00 -1.83 0.18 -1.05 0.00 0.00 178.15 175.18 1ggx n LEU 61 N -3.10 0.66 -0.33 0.16 4.77 0.12 -4.47 117.00 114.83 1ggx n LEU 61 Ca 0.00 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1ggx n LEU 61 Cb 0.29 0.23 0.32 0.00 -2.33 0.00 0.00 43.42 41.93 1ggx n LEU 61 CO 0.27 0.38 1.12 0.77 -1.33 0.00 0.00 177.39 178.60 1ggx h SER 62 N 0.00 0.58 0.34 -1.43 4.64 -1.45 -0.09 113.55 116.14 1ggx h SER 62 Ca -0.33 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1ggx h SER 62 Cb 2.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1ggx h SER 62 CO 0.06 0.14 0.00 -2.65 -0.87 0.00 0.00 176.83 173.51 1ggx n PRO 63 N -4.90 0.35 0.00 4.77 -0.02 -1.26 -2.39 135.00 131.55 1ggx n PRO 63 Ca 0.23 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1ggx n PRO 63 Cb 0.62 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.88 1ggx n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ggx n GLN 64 N -1.25 1.04 -1.47 -0.52 1.13 -0.05 -4.80 117.38 111.48 1ggx n GLN 64 Ca 0.11 -0.71 -0.35 0.00 -1.94 0.00 0.00 57.00 54.11 1ggx n GLN 64 Cb 0.15 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.08 1ggx n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1ggx n PHE 65 N -0.36 3.00 0.00 1.08 0.99 -1.00 -5.01 117.46 116.15 1ggx n PHE 65 Ca 0.12 -2.73 0.00 0.00 -0.00 0.00 0.00 57.45 54.84 1ggx n PHE 65 Cb 0.39 -1.35 0.00 0.00 -1.00 0.00 0.00 39.48 37.52 1ggx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ggx n SER 69 N -0.67 0.00 0.00 4.37 7.64 -1.26 -5.05 113.62 118.65 1ggx n SER 69 Ca 0.58 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.47 1ggx n SER 69 Cb 0.53 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.83 1ggx n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ggx n LYS 70 N 0.00 0.11 0.24 1.43 4.76 -1.26 -1.99 118.16 121.44 1ggx n LYS 70 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 1ggx n LYS 70 Cb 0.00 -1.46 0.62 0.00 -1.84 0.00 0.00 35.03 32.35 1ggx n LYS 70 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1ggx h VAL 71 N 0.00 0.00 -0.19 -0.18 3.04 -1.97 -2.06 116.25 114.90 1ggx h VAL 71 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1ggx h VAL 71 Cb 0.00 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1ggx h VAL 71 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1ggx n TYR 72 N -2.87 0.24 -2.37 3.17 4.02 -0.84 -4.75 117.16 113.76 1ggx n TYR 72 Ca 0.01 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 1ggx n TYR 72 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 1ggx n TYR 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ggx s VAL 73 N -1.76 4.00 0.00 -0.72 1.01 -0.78 -3.35 120.40 118.81 1ggx s VAL 73 Ca 0.30 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 1ggx s VAL 73 Cb 0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1ggx s VAL 73 CO 0.24 0.03 1.27 -0.75 0.00 0.00 0.00 175.10 175.89 1ggx s LYS 74 N 1.91 4.35 -0.01 2.72 2.20 -0.95 -4.82 119.74 125.13 1ggx s LYS 74 Ca 0.59 1.80 0.07 0.00 -0.36 0.00 0.00 55.97 58.08 1ggx s LYS 74 Cb -0.28 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1ggx s LYS 74 CO 0.25 -0.43 -0.23 -1.01 -0.36 0.00 0.00 175.35 173.57 1ggx s HIS 75 N 1.88 2.08 0.54 4.03 3.76 -1.26 0.56 115.29 126.88 1ggx s HIS 75 Ca 0.59 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 1ggx s HIS 75 Cb -0.29 -1.34 -0.06 0.00 1.11 0.00 0.00 32.58 32.01 1ggx s HIS 75 CO 0.26 -0.03 1.17 -2.14 -0.85 0.00 0.00 174.74 173.15 1ggx s PRO 76 N -0.58 3.34 0.49 8.40 0.02 -1.26 -4.89 135.00 140.52 1ggx s PRO 76 Ca 0.09 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.11 1ggx s PRO 76 Cb -0.09 -2.10 1.32 0.00 0.02 0.00 0.00 34.50 33.65 1ggx s PRO 76 CO -0.01 -0.89 1.88 0.00 -0.33 0.00 0.00 177.00 177.66 1ggx h ALA 77 N 1.35 2.56 -0.00 -1.55 0.00 -2.00 -0.91 119.26 118.71 1ggx h ALA 77 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ggx h ALA 77 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ggx h ALA 77 CO 0.57 -0.82 -0.01 -0.40 0.00 0.00 0.00 179.25 178.59 1ggx n ASP 78 N -4.38 0.47 -4.17 0.00 5.75 -1.26 -4.66 116.55 108.30 1ggx n ASP 78 Ca 0.18 -1.05 -0.34 0.00 -0.01 0.00 0.00 54.79 53.57 1ggx n ASP 78 Cb 0.83 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.76 1ggx n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ggx s ILE 79 N -2.08 2.87 0.07 2.12 1.01 -0.35 -5.04 121.20 119.80 1ggx s ILE 79 Ca 0.42 -1.27 -0.34 0.00 0.00 0.00 0.00 60.65 59.46 1ggx s ILE 79 Cb 0.21 -2.58 -0.13 0.00 0.01 0.00 0.00 42.46 39.97 1ggx s ILE 79 CO 0.38 0.02 1.67 -0.81 0.00 0.00 0.00 174.94 176.19 1ggx n PRO 80 N 4.62 2.11 -2.40 2.79 -0.04 -1.26 -4.60 135.00 136.22 1ggx n PRO 80 Ca -0.15 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.65 1ggx n PRO 80 Cb 0.45 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1ggx n PRO 80 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ggx n ASP 81 N 4.44 4.98 -0.35 3.54 -0.08 -1.26 -4.28 116.55 123.54 1ggx n ASP 81 Ca 0.19 -3.05 0.11 0.00 -1.51 0.00 0.00 54.79 50.53 1ggx n ASP 81 Cb 0.28 -1.52 0.22 0.00 2.34 0.00 0.00 41.12 42.44 1ggx n ASP 81 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1ggx h TYR 82 N 6.11 -0.27 -0.65 -0.67 3.20 -1.90 -0.57 116.97 122.21 1ggx h TYR 82 Ca 0.40 0.08 -0.07 0.00 3.14 0.00 0.00 58.73 62.28 1ggx h TYR 82 Cb 0.69 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1ggx h TYR 82 CO 1.25 -0.44 0.11 0.87 -1.64 0.00 0.00 178.16 178.32 1ggx h LYS 83 N 0.00 1.07 -0.34 1.82 1.57 -1.90 -2.06 116.57 116.73 1ggx h LYS 83 Ca 0.55 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1ggx h LYS 83 Cb 1.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1ggx h LYS 83 CO -0.98 0.98 -0.27 0.87 -0.57 0.00 0.00 179.45 179.48 1ggx h LYS 84 N 0.98 0.79 0.00 3.15 1.57 -1.46 -2.84 116.57 118.76 1ggx h LYS 84 Ca 0.20 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1ggx h LYS 84 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ggx h LYS 84 CO 0.01 1.02 0.00 -0.07 -0.57 0.00 0.00 179.45 179.84 1ggx h LEU 85 N 0.56 0.00 -1.08 2.94 3.38 -0.98 -2.59 115.31 117.55 1ggx h LEU 85 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ggx h LEU 85 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ggx h LEU 85 CO 0.07 0.00 -0.07 0.77 0.09 0.00 0.00 178.44 179.30 1ggx h SER 86 N 0.00 0.00 -4.05 -0.43 4.64 -1.11 -3.45 113.55 109.14 1ggx h SER 86 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1ggx h SER 86 Cb 0.10 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.27 1ggx h SER 86 CO 0.00 0.07 0.29 -0.36 -0.87 0.00 0.00 176.83 175.96 1ggx s PHE 87 N -3.57 3.08 0.35 4.77 0.40 -0.98 -0.94 117.98 121.09 1ggx s PHE 87 Ca 0.02 0.67 0.33 0.00 -0.60 0.00 0.00 56.93 57.35 1ggx s PHE 87 Cb 0.09 -3.13 1.61 0.00 0.51 0.00 0.00 43.02 42.09 1ggx s PHE 87 CO 0.59 -1.31 2.09 -1.00 0.70 0.00 0.00 175.22 176.30 1ggx h PRO 88 N -0.61 0.00 -0.21 0.24 0.13 -1.88 -3.44 132.00 126.23 1ggx h PRO 88 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1ggx h PRO 88 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ggx h PRO 88 CO 0.62 0.06 0.03 1.49 -0.23 0.00 0.00 178.00 179.98 1ggx h GLU 89 N 0.00 0.11 0.00 0.86 4.57 -1.94 -3.30 114.58 114.88 1ggx h GLU 89 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ggx h GLU 89 Cb 0.35 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ggx h GLU 89 CO 0.01 0.07 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 1ggx n GLY 90 N -1.18 -1.02 3.52 1.92 0.00 -0.11 -4.45 105.19 103.86 1ggx n GLY 90 Ca -0.02 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1ggx n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ggx s PHE 91 N 0.00 0.24 0.11 1.61 -0.71 -0.83 -2.18 117.98 116.23 1ggx s PHE 91 Ca 0.00 -0.60 0.10 0.00 -1.04 0.00 0.00 56.93 55.39 1ggx s PHE 91 Cb 0.00 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1ggx s PHE 91 CO 0.00 -0.91 -0.26 0.15 -1.34 0.00 0.00 175.22 172.86 1ggx s LYS 92 N -3.97 1.44 0.06 1.99 1.02 0.28 -0.31 119.74 120.25 1ggx s LYS 92 Ca 0.18 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 54.91 1ggx s LYS 92 Cb 0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1ggx s LYS 92 CO 0.04 0.45 -0.09 1.67 -0.92 0.00 0.00 175.35 176.49 1ggx s TRP 93 N -1.02 0.84 0.13 3.18 1.48 -0.53 0.21 118.94 123.22 1ggx s TRP 93 Ca 0.13 -0.52 0.01 0.00 -1.06 0.00 0.00 56.10 54.66 1ggx s TRP 93 Cb -0.10 -0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1ggx s TRP 93 CO 0.05 -0.05 -0.02 -1.21 -4.06 0.00 0.00 176.95 171.66 1ggx s GLU 94 N -1.82 0.94 -0.02 3.25 2.02 -0.36 -0.05 118.70 122.66 1ggx s GLU 94 Ca -0.06 -1.42 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1ggx s GLU 94 Cb -0.09 -0.14 0.09 0.00 0.10 0.00 0.00 34.13 34.09 1ggx s GLU 94 CO 0.01 -0.10 0.77 0.50 0.02 0.00 0.00 175.26 176.45 1ggx s ARG 95 N -3.90 0.96 -0.06 1.61 3.52 -0.51 -0.57 118.95 120.00 1ggx s ARG 95 Ca 0.18 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1ggx s ARG 95 Cb 0.06 0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1ggx s ARG 95 CO -0.01 -0.35 -0.21 0.08 -0.81 0.00 0.00 175.30 174.00 1ggx s VAL 96 N -2.08 1.73 -0.21 7.11 1.01 0.34 -0.82 120.40 127.47 1ggx s VAL 96 Ca -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ggx s VAL 96 Cb -0.00 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1ggx s VAL 96 CO -0.00 0.49 -0.14 -0.04 0.00 0.00 0.00 175.10 175.40 1ggx s MET 97 N 0.02 2.45 -0.39 2.72 -1.94 -0.05 -1.30 119.30 120.82 1ggx s MET 97 Ca -0.06 -1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 52.79 1ggx s MET 97 Cb -0.13 -2.64 0.03 0.00 2.01 0.00 0.00 34.83 34.10 1ggx s MET 97 CO 0.04 -0.40 0.24 -0.80 -0.01 0.00 0.00 175.02 174.09 1ggx s ASN 98 N 1.25 5.82 0.26 3.03 0.01 -0.50 -1.82 114.94 122.98 1ggx s ASN 98 Ca -0.02 -1.05 -0.21 0.00 -0.71 0.00 0.00 52.86 50.88 1ggx s ASN 98 Cb -0.16 -2.05 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 1ggx s ASN 98 CO -0.09 -0.43 0.78 -0.36 -1.51 0.00 0.00 177.10 175.50 1ggx s PHE 99 N 1.57 3.61 0.40 2.20 0.40 0.69 -1.54 117.98 125.31 1ggx s PHE 99 Ca 0.03 1.47 0.38 0.00 -0.60 0.00 0.00 56.93 58.21 1ggx s PHE 99 Cb -0.20 -2.69 2.05 0.00 0.51 0.00 0.00 43.02 42.69 1ggx s PHE 99 CO 0.07 0.26 2.17 1.05 0.70 0.00 0.00 175.22 179.48 1ggx h GLU 100 N 3.17 0.00 -0.58 0.44 4.11 -1.51 -2.22 114.58 117.99 1ggx h GLU 100 Ca -0.48 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.90 1ggx h GLU 100 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1ggx h GLU 100 CO 0.65 0.00 0.06 -0.40 0.07 0.00 0.00 179.01 179.39 1ggx n ASP 101 N -2.88 5.31 0.00 3.06 5.75 -1.26 -4.92 116.55 121.61 1ggx n ASP 101 Ca -0.02 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 1ggx n ASP 101 Cb 0.09 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1ggx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggx n GLY 102 N 0.29 3.09 3.72 6.12 0.00 -0.83 -4.64 105.19 112.94 1ggx n GLY 102 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1ggx n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggx n GLY 103 N -1.12 1.04 2.90 -0.02 0.00 -1.18 -4.75 105.19 102.06 1ggx n GLY 103 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 1ggx n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggx s VAL 104 N -0.27 0.32 0.00 1.61 1.01 -0.18 -0.22 120.40 122.66 1ggx s VAL 104 Ca 0.63 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1ggx s VAL 104 Cb -0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1ggx s VAL 104 CO 0.52 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.99 1ggx s VAL 105 N 0.34 0.54 0.02 2.92 1.01 -0.76 -0.44 120.40 124.03 1ggx s VAL 105 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1ggx s VAL 105 Cb -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1ggx s VAL 105 CO -0.01 0.07 -0.21 0.42 0.00 0.00 0.00 175.10 175.37 1ggx s THR 106 N -0.35 1.66 0.04 3.92 -4.23 -0.82 -0.87 115.64 114.99 1ggx s THR 106 Ca 0.01 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1ggx s THR 106 Cb -0.04 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 1ggx s THR 106 CO -0.00 0.32 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.59 1ggx s VAL 107 N -0.66 0.91 -0.01 2.29 1.01 -0.01 -2.30 120.40 121.63 1ggx s VAL 107 Ca 0.08 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1ggx s VAL 107 Cb -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ggx s VAL 107 CO 0.01 -0.08 -0.02 0.28 0.00 0.00 0.00 175.10 175.29 1ggx s THR 108 N -0.91 0.23 0.03 3.92 -1.32 -0.79 -1.43 115.64 115.38 1ggx s THR 108 Ca -0.01 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.36 1ggx s THR 108 Cb -0.08 -0.25 -0.01 0.00 -1.51 0.00 0.00 72.50 70.65 1ggx s THR 108 CO 0.01 0.10 0.09 -1.58 -2.21 0.00 0.00 174.62 171.04 1ggx s GLN 109 N 0.37 0.57 -0.06 7.08 -0.44 0.93 -1.16 119.66 126.94 1ggx s GLN 109 Ca -0.04 -0.71 0.02 0.00 -2.50 0.00 0.00 55.36 52.13 1ggx s GLN 109 Cb -0.06 0.22 0.01 0.00 -1.64 0.00 0.00 33.01 31.54 1ggx s GLN 109 CO -0.01 -0.14 -0.12 0.34 0.50 0.00 0.00 175.29 175.86 1ggx s ASP 110 N -2.03 1.78 -0.17 6.67 -1.08 -0.54 -1.46 116.67 119.84 1ggx s ASP 110 Ca -0.06 -0.30 0.01 0.00 -0.52 0.00 0.00 52.55 51.67 1ggx s ASP 110 Cb -0.02 -0.82 0.01 0.00 -1.46 0.00 0.00 42.92 40.64 1ggx s ASP 110 CO -0.04 0.04 -0.18 -0.44 0.52 0.00 0.00 175.17 175.07 1ggx s SER 111 N 0.64 3.32 0.43 -0.34 0.01 0.58 -1.74 113.70 116.60 1ggx s SER 111 Ca -0.14 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.56 1ggx s SER 111 Cb -0.16 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 1ggx s SER 111 CO 0.04 0.03 0.10 -0.94 0.41 0.00 0.00 173.24 172.87 1ggx s SER 112 N 1.15 3.08 -0.22 2.44 1.04 -0.54 -1.96 113.70 118.68 1ggx s SER 112 Ca 0.01 -1.65 0.01 0.00 0.48 0.00 0.00 55.95 54.80 1ggx s SER 112 Cb -0.14 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1ggx s SER 112 CO -0.08 -0.89 -0.07 -0.22 0.98 0.00 0.00 173.24 172.96 1ggx s LEU 113 N -3.66 2.38 -0.18 2.42 2.96 -1.25 -0.66 118.68 120.69 1ggx s LEU 113 Ca 0.21 -1.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1ggx s LEU 113 Cb 0.03 -1.17 0.03 0.00 0.50 0.00 0.00 46.19 45.58 1ggx s LEU 113 CO 0.12 -0.20 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.24 1ggx s GLN 114 N 1.42 2.27 -1.31 1.98 0.74 0.53 -4.80 119.66 120.49 1ggx s GLN 114 Ca -0.04 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 1ggx s GLN 114 Cb -0.18 -2.34 -0.00 0.00 1.10 0.00 0.00 33.01 31.59 1ggx s GLN 114 CO -0.07 -0.33 0.66 -0.25 -0.55 0.00 0.00 175.29 174.75 1ggx n ASP 115 N 4.70 -1.34 -0.30 6.67 8.00 -1.26 -1.62 116.55 131.39 1ggx n ASP 115 Ca -0.16 -0.86 -0.04 0.00 0.71 0.00 0.00 54.79 54.44 1ggx n ASP 115 Cb 0.48 -3.88 -0.02 0.00 -0.02 0.00 0.00 41.12 37.68 1ggx n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggx n GLY 116 N -1.64 0.57 3.05 0.44 0.00 -1.26 -4.99 105.19 101.36 1ggx n GLY 116 Ca -0.29 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1ggx n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggx s PHE 118 N 0.34 3.44 -0.17 0.00 0.08 -0.79 -0.35 117.98 120.54 1ggx s PHE 118 Ca -0.08 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.54 1ggx s PHE 118 Cb -0.12 -3.40 0.01 0.00 -0.57 0.00 0.00 43.02 38.94 1ggx s PHE 118 CO 0.02 -0.99 -0.20 0.42 -0.10 0.00 0.00 175.22 174.38 1ggx s ILE 119 N -0.81 2.17 -0.16 0.64 -1.09 0.16 -1.01 121.20 121.10 1ggx s ILE 119 Ca 0.48 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1ggx s ILE 119 Cb -0.34 -1.90 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1ggx s ILE 119 CO 0.42 0.54 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.27 1ggx s TYR 120 N 1.12 2.91 -0.19 3.97 2.02 0.42 -1.47 117.35 126.13 1ggx s TYR 120 Ca 0.01 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1ggx s TYR 120 Cb -0.14 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1ggx s TYR 120 CO -0.08 -0.24 -0.18 0.15 -1.57 0.00 0.00 175.55 173.62 1ggx s LYS 121 N 0.63 2.81 -0.03 -0.62 3.01 -0.71 -1.41 119.74 123.42 1ggx s LYS 121 Ca -0.05 -0.87 0.06 0.00 -1.01 0.00 0.00 55.97 54.10 1ggx s LYS 121 Cb -0.15 -2.56 -0.01 0.00 -1.01 0.00 0.00 37.83 34.09 1ggx s LYS 121 CO 0.03 -0.26 -0.21 0.08 0.51 0.00 0.00 175.35 175.50 1ggx s VAL 122 N 1.29 1.67 -0.07 3.17 1.01 0.19 -1.46 120.40 126.20 1ggx s VAL 122 Ca 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1ggx s VAL 122 Cb -0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1ggx s VAL 122 CO -0.12 0.47 -0.24 -0.54 0.00 0.00 0.00 175.10 174.68 1ggx s LYS 123 N -0.31 2.69 -0.03 2.72 1.02 -0.31 -0.90 119.74 124.63 1ggx s LYS 123 Ca 0.03 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1ggx s LYS 123 Cb -0.10 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1ggx s LYS 123 CO 0.01 0.34 -0.02 0.12 -0.92 0.00 0.00 175.35 174.88 1ggx s PHE 124 N -0.06 0.46 -0.13 3.18 2.19 -0.48 -1.89 117.98 121.25 1ggx s PHE 124 Ca -0.07 -0.07 -0.02 0.00 0.33 0.00 0.00 56.93 57.11 1ggx s PHE 124 Cb -0.15 -0.48 0.04 0.00 -1.31 0.00 0.00 43.02 41.13 1ggx s PHE 124 CO 0.05 -0.14 -0.01 0.42 1.83 0.00 0.00 175.22 177.37 1ggx s ILE 125 N 0.89 0.63 -0.11 3.12 1.01 -0.97 -1.26 121.20 124.51 1ggx s ILE 125 Ca -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1ggx s ILE 125 Cb -0.13 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1ggx s ILE 125 CO -0.01 0.09 -0.19 -0.83 0.00 0.00 0.00 174.94 174.01 1ggx s GLY 126 N 1.84 1.43 0.18 6.18 0.00 0.70 -1.94 107.32 115.71 1ggx s GLY 126 Ca 0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1ggx s GLY 126 CO -0.07 -0.30 0.07 -1.34 0.00 0.00 0.00 173.10 171.47 1ggx s VAL 127 N 0.28 0.26 -1.56 1.40 -7.23 0.41 -1.41 120.40 112.56 1ggx s VAL 127 Ca -0.13 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1ggx s VAL 127 Cb -0.17 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1ggx s VAL 127 CO 0.07 -0.25 0.00 -3.20 -0.31 0.00 0.00 175.10 171.41 1ggx n ASN 128 N -0.24 -5.06 -4.67 4.85 5.15 -1.26 -1.01 115.26 113.01 1ggx n ASN 128 Ca -0.03 0.09 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 1ggx n ASN 128 Cb 0.65 -4.13 -0.04 0.00 -0.53 0.00 0.00 39.78 35.72 1ggx n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ggx s PHE 129 N -2.80 3.43 0.24 1.20 0.08 -1.26 -3.08 117.98 115.79 1ggx s PHE 129 Ca 0.00 1.25 -0.31 0.00 0.12 0.00 0.00 56.93 57.99 1ggx s PHE 129 Cb 0.00 -2.99 -0.13 0.00 -0.57 0.00 0.00 43.02 39.33 1ggx s PHE 129 CO 0.00 -0.21 1.54 -2.30 -0.10 0.00 0.00 175.22 174.15 1ggx n PRO 130 N 5.11 2.39 0.31 0.24 -0.02 -1.26 -4.83 135.00 136.94 1ggx n PRO 130 Ca 0.04 0.85 0.21 0.00 -2.02 0.00 0.00 63.50 62.58 1ggx n PRO 130 Cb 0.49 -2.60 1.09 0.00 -0.02 0.00 0.00 33.50 32.46 1ggx n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ggx h SER 131 N 5.03 0.00 -0.02 2.55 4.64 -1.98 1.00 113.55 124.76 1ggx h SER 131 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ggx h SER 131 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ggx h SER 131 CO 0.82 0.00 -0.15 -0.90 -0.87 0.00 0.00 176.83 175.73 1ggx n ASP 132 N -2.97 2.57 -4.61 4.97 5.68 -1.26 -4.45 116.55 116.48 1ggx n ASP 132 Ca -0.02 -1.79 -0.29 0.00 -0.50 0.00 0.00 54.79 52.19 1ggx n ASP 132 Cb 0.09 0.16 0.17 0.00 -1.14 0.00 0.00 41.12 40.40 1ggx n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ggx s GLY 133 N -2.04 1.58 0.48 6.12 0.00 0.34 -4.80 107.32 108.99 1ggx s GLY 133 Ca 0.23 -0.54 0.15 0.00 0.00 0.00 0.00 44.72 44.56 1ggx s GLY 133 CO 0.37 0.08 2.07 -2.55 0.00 0.00 0.00 173.10 173.07 1ggx h PRO 134 N -1.80 0.20 0.20 2.90 0.11 -1.95 -1.68 132.00 129.98 1ggx h PRO 134 Ca -0.52 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1ggx h PRO 134 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ggx h PRO 134 CO 0.56 0.13 -0.09 0.28 -0.21 0.00 0.00 178.00 178.67 1ggx h VAL 135 N 0.21 0.80 0.00 3.15 2.07 -1.92 0.64 116.25 121.19 1ggx h VAL 135 Ca 0.14 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ggx h VAL 135 Cb 0.29 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ggx h VAL 135 CO -0.02 0.19 0.00 0.24 0.02 0.00 0.00 177.57 178.00 1ggx h MET 136 N -0.84 0.00 -0.01 1.57 2.86 -1.76 0.14 114.93 116.89 1ggx h MET 136 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ggx h MET 136 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1ggx h MET 136 CO 0.04 0.00 -0.45 0.94 1.06 0.00 0.00 176.91 178.50 1ggx n GLN 137 N -2.79 1.16 -3.50 1.72 -0.06 -0.64 -4.68 117.38 108.58 1ggx n GLN 137 Ca 0.02 -0.93 -0.22 0.00 -2.00 0.00 0.00 57.00 53.87 1ggx n GLN 137 Cb 0.36 -1.48 0.05 0.00 -4.06 0.00 0.00 30.24 25.11 1ggx n GLN 137 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ggx n LYS 138 N -0.11 -2.67 -0.48 3.69 5.02 -0.45 -4.93 118.16 118.23 1ggx n LYS 138 Ca 0.10 0.67 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 1ggx n LYS 138 Cb 0.45 -5.11 0.29 0.00 -0.02 0.00 0.00 35.03 30.65 1ggx n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ggx n LYS 139 N -3.82 3.38 -3.84 1.97 4.76 0.09 -4.99 118.16 115.70 1ggx n LYS 139 Ca -0.14 -2.69 -0.26 0.00 -2.87 0.00 0.00 58.31 52.36 1ggx n LYS 139 Cb 0.62 -1.74 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1ggx n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ggx s THR 140 N -1.84 5.27 -0.32 -0.18 -4.23 -1.26 0.44 115.64 113.52 1ggx s THR 140 Ca 0.43 -0.62 0.16 0.00 -1.18 0.00 0.00 61.69 60.48 1ggx s THR 140 Cb 0.28 -3.76 0.47 0.00 1.34 0.00 0.00 72.50 70.83 1ggx s THR 140 CO 0.20 -0.18 1.07 0.23 -0.54 0.00 0.00 174.62 175.40 1ggx n MET 141 N -0.78 2.12 0.00 3.99 2.81 0.23 -4.72 117.12 120.76 1ggx n MET 141 Ca -0.06 -3.70 0.00 0.00 -1.81 0.00 0.00 57.70 52.13 1ggx n MET 141 Cb 0.54 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1ggx n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ggx n GLY 142 N -0.41 0.13 3.90 3.03 0.00 -1.26 -4.61 105.19 105.97 1ggx n GLY 142 Ca 0.19 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1ggx n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ggx s TRP 143 N -2.84 3.48 0.58 1.61 0.52 -1.26 -0.91 118.94 120.12 1ggx s TRP 143 Ca 0.00 0.76 -0.09 0.00 0.02 0.00 0.00 56.10 56.78 1ggx s TRP 143 Cb 0.00 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1ggx s TRP 143 CO 0.00 0.06 0.96 -1.21 0.02 0.00 0.00 176.95 176.78 1ggx s GLU 144 N -3.75 3.50 0.60 4.98 0.41 -0.52 -4.83 118.70 119.09 1ggx s GLU 144 Ca 0.46 0.53 -0.18 0.00 -0.41 0.00 0.00 54.97 55.37 1ggx s GLU 144 Cb -0.10 -2.17 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1ggx s GLU 144 CO 0.32 -0.50 1.21 0.00 -0.49 0.00 0.00 175.26 175.79 1ggx s ALA 145 N -3.06 2.51 0.34 5.21 0.00 -1.26 -4.77 121.76 120.73 1ggx s ALA 145 Ca 0.53 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1ggx s ALA 145 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1ggx s ALA 145 CO 0.51 -1.23 0.11 -1.54 0.00 0.00 0.00 175.76 173.61 1ggx s SER 146 N -1.62 2.13 -0.12 0.00 1.04 0.58 -4.96 113.70 110.74 1ggx s SER 146 Ca 0.77 -1.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 1ggx s SER 146 Cb -0.31 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1ggx s SER 146 CO 0.34 -0.80 0.09 -0.89 0.98 0.00 0.00 173.24 172.96 1ggx s THR 147 N -3.41 -0.12 0.06 2.02 2.01 -1.26 -1.67 115.64 113.27 1ggx s THR 147 Ca 0.32 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 1ggx s THR 147 Cb 0.06 -0.42 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 1ggx s THR 147 CO 0.15 -0.10 0.52 -0.70 -0.69 0.00 0.00 174.62 173.81 1ggx s GLU 148 N 2.17 4.09 -0.30 4.92 2.12 -0.27 -4.51 118.70 126.92 1ggx s GLU 148 Ca 0.03 0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 1ggx s GLU 148 Cb -0.14 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 1ggx s GLU 148 CO -0.07 0.64 0.13 0.50 -0.54 0.00 0.00 175.26 175.92 1ggx s ARG 149 N -1.18 3.29 0.24 4.30 3.00 0.10 -1.74 118.95 126.95 1ggx s ARG 149 Ca 0.28 -0.74 0.09 0.00 -1.00 0.00 0.00 55.73 54.36 1ggx s ARG 149 Cb -0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 34.95 31.23 1ggx s ARG 149 CO 0.17 -0.41 -0.03 -0.51 0.00 0.00 0.00 175.30 174.52 1ggx s LEU 150 N 1.58 3.13 -0.03 -0.88 1.02 0.81 -1.06 118.68 123.26 1ggx s LEU 150 Ca 0.04 -0.61 -0.29 0.00 0.02 0.00 0.00 54.13 53.29 1ggx s LEU 150 Cb -0.17 -1.71 0.10 0.00 0.02 0.00 0.00 46.19 44.43 1ggx s LEU 150 CO 0.05 0.04 0.85 -0.72 0.02 0.00 0.00 176.35 176.59 1ggx s TYR 151 N -2.12 -0.41 0.32 0.29 1.13 -0.20 -1.75 117.35 114.62 1ggx s TYR 151 Ca 0.29 0.43 -0.16 0.00 -1.41 0.00 0.00 57.07 56.22 1ggx s TYR 151 Cb -0.07 0.51 -0.09 0.00 -1.10 0.00 0.00 41.96 41.20 1ggx s TYR 151 CO 0.18 -0.54 0.76 -1.25 -2.51 0.00 0.00 175.55 172.19 1ggx s PRO 152 N -2.51 4.05 -0.29 -3.49 0.04 -1.26 -1.08 135.00 130.47 1ggx s PRO 152 Ca 0.01 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 1ggx s PRO 152 Cb -0.01 -2.45 0.15 0.00 0.04 0.00 0.00 34.50 32.23 1ggx s PRO 152 CO -0.05 0.16 1.15 0.50 0.04 0.00 0.00 177.00 178.80 1ggx s ARG 153 N -2.90 0.34 -1.42 4.56 3.52 -0.43 -4.91 118.95 117.70 1ggx s ARG 153 Ca 0.54 0.44 -0.10 0.00 -0.13 0.00 0.00 55.73 56.47 1ggx s ARG 153 Cb -0.11 0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.50 1ggx s ARG 153 CO 0.17 -0.05 0.66 -0.25 -0.81 0.00 0.00 175.30 175.03 1ggx n ASP 154 N 2.33 -4.40 0.00 -2.12 8.00 -1.26 -1.10 116.55 118.00 1ggx n ASP 154 Ca -0.13 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1ggx n ASP 154 Cb 0.56 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1ggx n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggx n GLY 155 N -1.39 1.14 2.51 0.44 0.00 -1.26 -4.99 105.19 101.64 1ggx n GLY 155 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ggx n GLY 155 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ggx n VAL 156 N -2.00 0.00 -4.39 1.61 0.24 -0.25 -4.89 118.33 108.64 1ggx n VAL 156 Ca 0.00 -1.69 -0.34 0.00 -2.04 0.00 0.00 64.34 60.27 1ggx n VAL 156 Cb 0.00 0.41 -0.13 0.00 -1.47 0.00 0.00 33.84 32.65 1ggx n VAL 156 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ggx s LEU 157 N 0.00 3.08 0.20 1.34 2.96 -0.86 -1.32 118.68 124.08 1ggx s LEU 157 Ca 0.04 -0.22 0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1ggx s LEU 157 Cb 0.00 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1ggx s LEU 157 CO 0.03 0.13 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.44 1ggx s LYS 158 N 0.58 1.61 -0.09 1.98 1.02 -0.24 -0.09 119.74 124.51 1ggx s LYS 158 Ca -0.04 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.23 1ggx s LYS 158 Cb -0.15 -1.89 0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1ggx s LYS 158 CO 0.03 0.40 0.52 0.20 -0.92 0.00 0.00 175.35 175.58 1ggx s GLY 159 N -2.74 -0.39 0.10 -3.33 0.00 -0.83 -1.03 107.32 99.09 1ggx s GLY 159 Ca 0.22 1.10 0.07 0.00 0.00 0.00 0.00 44.72 46.10 1ggx s GLY 159 CO 0.11 0.83 -0.17 -0.54 0.00 0.00 0.00 173.10 173.33 1ggx s GLU 160 N -0.73 1.00 -0.04 2.90 8.01 -0.22 -0.67 118.70 128.95 1ggx s GLU 160 Ca -0.08 -1.11 -0.04 0.00 0.01 0.00 0.00 54.97 53.75 1ggx s GLU 160 Cb -0.03 -1.09 0.01 0.00 -4.31 0.00 0.00 34.13 28.71 1ggx s GLU 160 CO 0.05 0.24 0.11 0.42 0.01 0.00 0.00 175.26 176.10 1ggx s ILE 161 N -1.41 0.01 -0.52 -1.63 1.01 0.02 -0.72 121.20 117.96 1ggx s ILE 161 Ca 0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 1ggx s ILE 161 Cb -0.09 -0.18 0.13 0.00 0.01 0.00 0.00 42.46 42.33 1ggx s ILE 161 CO 0.03 -0.03 0.45 -1.00 0.00 0.00 0.00 174.94 174.39 1ggx s HIS 162 N -0.06 3.33 0.45 3.97 3.76 -1.26 -0.25 115.29 125.23 1ggx s HIS 162 Ca -0.01 -1.54 0.08 0.00 -0.15 0.00 0.00 55.06 53.43 1ggx s HIS 162 Cb -0.01 -3.68 0.01 0.00 1.11 0.00 0.00 32.58 30.00 1ggx s HIS 162 CO 0.00 -1.01 0.50 0.15 -0.85 0.00 0.00 174.74 173.54 1ggx s LYS 163 N 1.45 2.60 -0.20 1.40 1.02 -0.19 -4.80 119.74 121.01 1ggx s LYS 163 Ca 0.05 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.41 1ggx s LYS 163 Cb -0.28 -2.53 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 1ggx s LYS 163 CO 0.01 -0.33 0.52 0.00 -0.92 0.00 0.00 175.35 174.63 1ggx s ALA 164 N -2.47 -1.32 -0.16 5.17 0.00 -1.26 -2.00 121.76 119.72 1ggx s ALA 164 Ca 0.51 1.65 -0.08 0.00 0.00 0.00 0.00 51.96 54.04 1ggx s ALA 164 Cb -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1ggx s ALA 164 CO 0.31 -0.27 0.13 -0.51 0.00 0.00 0.00 175.76 175.42 1ggx s LEU 165 N 0.82 4.29 0.24 0.00 1.43 -0.41 -1.44 118.68 123.62 1ggx s LEU 165 Ca -0.04 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 1ggx s LEU 165 Cb -0.05 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 1ggx s LEU 165 CO -0.07 0.29 1.05 -0.54 0.23 0.00 0.00 176.35 177.32 1ggx s LYS 166 N -0.33 4.69 -0.13 1.70 1.02 -0.09 -0.63 119.74 125.97 1ggx s LYS 166 Ca 0.11 1.68 -0.07 0.00 0.02 0.00 0.00 55.97 57.71 1ggx s LYS 166 Cb -0.12 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1ggx s LYS 166 CO 0.01 0.27 0.13 -0.51 -0.92 0.00 0.00 175.35 174.33 1ggx s LEU 167 N -1.06 4.33 0.18 3.17 1.43 -0.46 0.74 118.68 127.00 1ggx s LEU 167 Ca 0.45 0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 53.73 1ggx s LEU 167 Cb -0.29 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 43.95 1ggx s LEU 167 CO 0.37 0.37 1.57 0.11 0.23 0.00 0.00 176.35 179.00 1ggx h LYS 168 N 5.28 -0.17 -0.85 1.70 1.79 -0.30 0.10 116.57 124.12 1ggx h LYS 168 Ca -0.52 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1ggx h LYS 168 Cb 1.21 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1ggx h LYS 168 CO 0.61 -0.11 0.00 -0.25 -1.08 0.00 0.00 179.45 178.62 1ggx n ASP 169 N -5.42 1.28 0.00 0.86 8.00 -1.26 -4.97 116.55 115.04 1ggx n ASP 169 Ca 0.03 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1ggx n ASP 169 Cb 0.35 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1ggx n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggx n GLY 170 N 0.12 1.29 0.72 0.44 0.00 0.36 -5.12 105.19 103.01 1ggx n GLY 170 Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1ggx n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggx n GLY 171 N 1.33 -2.97 3.43 -0.02 0.00 -1.26 -4.53 105.19 101.16 1ggx n GLY 171 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 1ggx n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ggx s HIS 172 N -0.82 2.05 -0.25 1.61 3.76 -1.26 -1.35 115.29 119.02 1ggx s HIS 172 Ca 0.00 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1ggx s HIS 172 Cb 0.00 -1.00 0.07 0.00 1.11 0.00 0.00 32.58 32.75 1ggx s HIS 172 CO 0.00 0.50 -0.06 -0.47 -0.85 0.00 0.00 174.74 173.86 1ggx s TYR 173 N -2.77 2.77 0.15 1.40 5.04 0.20 -4.89 117.35 119.26 1ggx s TYR 173 Ca 0.28 -2.05 -0.30 0.00 -2.44 0.00 0.00 57.07 52.56 1ggx s TYR 173 Cb -0.01 -1.82 -0.07 0.00 0.35 0.00 0.00 41.96 40.42 1ggx s TYR 173 CO 0.12 -0.83 0.97 -0.51 -1.34 0.00 0.00 175.55 173.96 1ggx s LEU 174 N 1.26 4.54 -0.03 6.97 1.43 -1.26 -1.29 118.68 130.30 1ggx s LEU 174 Ca -0.05 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1ggx s LEU 174 Cb -0.19 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1ggx s LEU 174 CO -0.07 -0.02 0.06 -0.69 0.23 0.00 0.00 176.35 175.87 1ggx s VAL 175 N -0.35 -0.05 -0.19 -1.59 1.01 -0.85 -1.35 120.40 117.03 1ggx s VAL 175 Ca 0.45 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1ggx s VAL 175 Cb -0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1ggx s VAL 175 CO 0.31 0.08 0.13 -0.70 0.00 0.00 0.00 175.10 174.92 1ggx s GLU 176 N 1.00 4.14 -0.15 2.72 2.12 -0.59 -1.02 118.70 126.92 1ggx s GLU 176 Ca -0.08 -0.21 -0.06 0.00 0.36 0.00 0.00 54.97 54.98 1ggx s GLU 176 Cb -0.11 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1ggx s GLU 176 CO -0.04 0.33 0.05 -0.06 -0.54 0.00 0.00 175.26 175.01 1ggx s PHE 177 N 0.27 3.27 -0.19 5.30 0.40 0.65 -1.42 117.98 126.26 1ggx s PHE 177 Ca 0.09 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1ggx s PHE 177 Cb -0.11 -1.98 0.06 0.00 0.51 0.00 0.00 43.02 41.50 1ggx s PHE 177 CO -0.01 0.31 0.00 0.15 0.70 0.00 0.00 175.22 176.37 1ggx s LYS 178 N -0.15 0.94 0.18 0.44 1.02 -0.42 -0.80 119.74 120.96 1ggx s LYS 178 Ca 0.07 -0.52 0.10 0.00 0.02 0.00 0.00 55.97 55.64 1ggx s LYS 178 Cb -0.12 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1ggx s LYS 178 CO 0.01 -0.59 -0.18 -1.12 -0.92 0.00 0.00 175.35 172.56 1ggx s SER 179 N 1.74 3.80 -0.15 2.83 0.01 0.15 -0.50 113.70 121.58 1ggx s SER 179 Ca -0.01 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1ggx s SER 179 Cb -0.17 -0.47 0.04 0.00 0.21 0.00 0.00 66.02 65.64 1ggx s SER 179 CO -0.07 0.12 -0.02 -0.63 0.41 0.00 0.00 173.24 173.04 1ggx s ILE 180 N -1.66 0.84 -0.28 1.44 1.09 0.26 -1.97 121.20 120.92 1ggx s ILE 180 Ca 0.22 -0.45 -0.10 0.00 -1.10 0.00 0.00 60.65 59.22 1ggx s ILE 180 Cb -0.08 -1.07 -0.03 0.00 -1.06 0.00 0.00 42.46 40.21 1ggx s ILE 180 CO 0.12 0.09 0.14 -0.31 -0.10 0.00 0.00 174.94 174.89 1ggx s TYR 181 N 1.75 3.17 -0.30 3.97 2.02 0.87 -1.23 117.35 127.60 1ggx s TYR 181 Ca 0.01 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1ggx s TYR 181 Cb -0.15 -2.33 0.08 0.00 -0.40 0.00 0.00 41.96 39.15 1ggx s TYR 181 CO -0.07 -0.30 -0.04 -1.64 -1.57 0.00 0.00 175.55 171.93 1ggx s MET 182 N 1.68 1.92 0.37 -0.62 -1.94 0.13 -2.02 119.30 118.82 1ggx s MET 182 Ca 0.06 -1.58 -0.27 0.00 -1.71 0.00 0.00 55.69 52.19 1ggx s MET 182 Cb -0.16 -3.04 -0.10 0.00 2.01 0.00 0.00 34.83 33.55 1ggx s MET 182 CO 0.08 -0.73 1.30 0.00 -0.01 0.00 0.00 175.02 175.65 1ggx s ALA 183 N 1.02 3.38 -0.26 3.03 0.00 -1.26 -0.55 121.76 127.11 1ggx s ALA 183 Ca -0.00 1.23 0.25 0.00 0.00 0.00 0.00 51.96 53.45 1ggx s ALA 183 Cb -0.20 -3.48 1.17 0.00 0.00 0.00 0.00 23.12 20.62 1ggx s ALA 183 CO -0.06 -0.72 1.77 0.87 0.00 0.00 0.00 175.76 177.62 1ggx h LYS 184 N 3.03 0.00 -3.92 0.00 1.57 -1.74 -3.40 116.57 112.11 1ggx h LYS 184 Ca -0.49 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.01 1ggx h LYS 184 Cb 1.24 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 1ggx h LYS 184 CO 0.64 0.00 -0.73 -1.59 -0.57 0.00 0.00 179.45 177.20 1ggx s LYS 185 N -3.48 0.17 -0.75 3.15 -2.85 -1.26 -5.08 119.74 109.64 1ggx s LYS 185 Ca 0.01 -0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 1ggx s LYS 185 Cb 0.09 -0.19 -0.10 0.00 -2.06 0.00 0.00 37.83 35.57 1ggx s LYS 185 CO 0.35 0.02 2.30 -1.25 0.10 0.00 0.00 175.35 176.87 1ggx s PRO 186 N 0.07 1.91 0.46 1.78 0.04 -1.26 -4.94 135.00 133.06 1ggx s PRO 186 Ca -0.00 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.63 1ggx s PRO 186 Cb -0.02 -4.77 0.02 0.00 0.04 0.00 0.00 34.50 29.76 1ggx s PRO 186 CO -0.00 -3.96 0.63 0.14 0.04 0.00 0.00 177.00 173.84 1ggx s VAL 187 N 13.20 2.87 0.27 -0.36 -7.23 -1.26 -5.04 120.40 122.85 1ggx s VAL 187 Ca 0.88 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 1ggx s VAL 187 Cb -0.13 -2.94 -0.13 0.00 0.56 0.00 0.00 36.38 33.75 1ggx s VAL 187 CO 0.10 0.00 1.43 1.67 -0.31 0.00 0.00 175.10 178.00 1ggx n GLN 188 N -1.98 2.21 -4.13 4.82 7.27 -1.26 -5.01 117.38 119.29 1ggx n GLN 188 Ca 0.09 0.78 -0.31 0.00 0.07 0.00 0.00 57.00 57.63 1ggx n GLN 188 Cb 0.59 -2.46 -0.08 0.00 2.41 0.00 0.00 30.24 30.71 1ggx n GLN 188 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ggx s LEU 189 N -0.23 3.64 0.00 1.69 1.43 -1.26 -4.12 118.68 119.83 1ggx s LEU 189 Ca 0.65 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1ggx s LEU 189 Cb -0.60 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 43.51 1ggx s LEU 189 CO 0.52 0.21 0.96 -0.81 0.23 0.00 0.00 176.35 177.46 1ggx n PRO 190 N 0.77 -0.55 0.00 1.29 -0.04 -1.26 -4.79 135.00 130.42 1ggx n PRO 190 Ca -0.11 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1ggx n PRO 190 Cb 0.52 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1ggx n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ggx n GLY 191 N -1.75 1.83 3.65 0.55 0.00 -1.26 -4.35 105.19 103.86 1ggx n GLY 191 Ca 0.14 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ggx n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ggx s TYR 192 N 3.23 2.98 0.25 1.61 5.04 -1.26 -4.34 117.35 124.85 1ggx s TYR 192 Ca 0.00 1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 55.71 1ggx s TYR 192 Cb 0.00 -3.56 0.02 0.00 0.35 0.00 0.00 41.96 38.77 1ggx s TYR 192 CO 0.00 -1.26 0.41 2.48 -1.34 0.00 0.00 175.55 175.84 1ggx n TYR 193 N 6.79 -1.44 -4.29 4.97 4.11 -0.72 -4.82 117.16 121.77 1ggx n TYR 193 Ca 0.13 -1.44 -0.16 0.00 -0.00 0.00 0.00 57.90 56.43 1ggx n TYR 193 Cb 0.46 0.47 -0.10 0.00 -0.00 0.00 0.00 39.34 40.17 1ggx n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1ggx s TYR 194 N -3.97 1.44 -0.09 -3.48 1.51 -0.49 -0.14 117.35 112.14 1ggx s TYR 194 Ca 0.16 -0.68 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1ggx s TYR 194 Cb -0.02 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1ggx s TYR 194 CO 0.12 0.19 0.02 0.08 -1.11 0.00 0.00 175.55 174.84 1ggx s VAL 195 N -3.12 0.33 0.17 0.71 1.01 -0.71 -0.77 120.40 118.02 1ggx s VAL 195 Ca 0.18 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1ggx s VAL 195 Cb 0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 1ggx s VAL 195 CO 0.03 0.17 0.57 -1.81 0.00 0.00 0.00 175.10 174.07 1ggx s ASP 196 N 1.98 6.82 -0.05 3.32 1.01 -0.28 -1.11 116.67 128.36 1ggx s ASP 196 Ca 0.04 1.10 -0.16 0.00 0.71 0.00 0.00 52.55 54.24 1ggx s ASP 196 Cb -0.13 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.53 1ggx s ASP 196 CO -0.06 0.06 0.36 -0.44 0.21 0.00 0.00 175.17 175.30 1ggx s SER 197 N -1.82 -0.28 -0.17 0.27 0.01 -0.67 -1.40 113.70 109.64 1ggx s SER 197 Ca 0.40 0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.92 1ggx s SER 197 Cb -0.14 0.44 0.07 0.00 0.21 0.00 0.00 66.02 66.59 1ggx s SER 197 CO 0.19 -0.39 0.12 -0.75 0.41 0.00 0.00 173.24 172.82 1ggx s LYS 198 N -0.96 0.08 -0.18 12.44 2.20 -0.40 -0.31 119.74 132.61 1ggx s LYS 198 Ca -0.10 0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1ggx s LYS 198 Cb -0.04 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 1ggx s LYS 198 CO 0.04 -0.65 0.04 -1.17 -0.36 0.00 0.00 175.35 173.25 1ggx s LEU 199 N 2.18 3.66 -0.00 5.43 0.20 -1.26 -2.32 118.68 126.57 1ggx s LEU 199 Ca 0.03 0.02 0.06 0.00 0.69 0.00 0.00 54.13 54.93 1ggx s LEU 199 Cb -0.16 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 1ggx s LEU 199 CO -0.09 0.16 -0.19 -1.81 -0.29 0.00 0.00 176.35 174.13 1ggx s ASP 200 N 0.44 2.21 -0.39 3.68 1.01 0.07 -4.51 116.67 119.18 1ggx s ASP 200 Ca 0.01 -0.37 -0.23 0.00 0.71 0.00 0.00 52.55 52.67 1ggx s ASP 200 Cb -0.13 -0.23 0.01 0.00 1.01 0.00 0.00 42.92 43.58 1ggx s ASP 200 CO 0.01 0.21 0.78 -0.63 0.21 0.00 0.00 175.17 175.76 1ggx s ILE 201 N -0.51 4.70 -0.26 0.77 -1.09 -1.26 -0.88 121.20 122.68 1ggx s ILE 201 Ca 0.07 0.73 0.22 0.00 -2.23 0.00 0.00 60.65 59.44 1ggx s ILE 201 Cb -0.07 -4.25 0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1ggx s ILE 201 CO -0.00 -0.53 1.13 0.71 -1.23 0.00 0.00 174.94 175.01 1ggx h THR 202 N 5.83 0.02 -1.90 2.92 1.35 -1.46 -3.48 112.91 116.19 1ggx h THR 202 Ca -0.25 -1.04 -0.03 0.00 -0.55 0.00 0.00 66.41 64.55 1ggx h THR 202 Cb 1.09 1.60 -0.20 0.00 -1.73 0.00 0.00 68.15 68.91 1ggx h THR 202 CO 0.93 0.01 0.27 -0.55 -0.25 0.00 0.00 175.52 175.93 1ggx s SER 203 N -5.51 -0.59 -0.24 5.36 0.15 -1.16 -4.98 113.70 106.73 1ggx s SER 203 Ca 0.01 0.65 -0.29 0.00 0.70 0.00 0.00 55.95 57.02 1ggx s SER 203 Cb 0.09 0.49 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 1ggx s SER 203 CO 0.77 -0.55 1.20 -1.38 1.20 0.00 0.00 173.24 174.49 1ggx s HIS 204 N -1.16 -0.20 0.79 3.44 -0.00 -1.26 -0.56 115.29 116.34 1ggx s HIS 204 Ca -0.09 0.36 -0.08 0.00 -0.00 0.00 0.00 55.06 55.26 1ggx s HIS 204 Cb -0.00 0.47 0.12 0.00 -0.00 0.00 0.00 32.58 33.17 1ggx s HIS 204 CO 0.08 -0.17 1.10 0.54 -0.00 0.00 0.00 174.74 176.30 1ggx s ASN 205 N -0.88 4.16 0.26 7.38 2.20 -0.90 -4.96 114.94 122.20 1ggx s ASN 205 Ca 0.04 0.17 -0.01 0.00 -0.94 0.00 0.00 52.86 52.12 1ggx s ASN 205 Cb -0.01 -0.56 0.50 0.00 -2.00 0.00 0.00 41.25 39.17 1ggx s ASN 205 CO -0.05 -2.02 1.80 -0.08 -2.94 0.00 0.00 177.10 173.81 1ggx h GLU 206 N -0.90 0.77 -0.67 3.55 4.22 -2.02 -2.71 114.58 116.82 1ggx h GLU 206 Ca -0.42 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1ggx h GLU 206 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ggx h GLU 206 CO 0.48 0.51 0.00 -0.40 -2.18 0.00 0.00 179.01 177.42 1ggx n ASP 207 N -4.75 4.01 -3.65 1.04 5.68 -1.26 -4.96 116.55 112.66 1ggx n ASP 207 Ca 0.17 -2.17 -0.27 0.00 -0.50 0.00 0.00 54.79 52.02 1ggx n ASP 207 Cb 0.36 -0.50 0.04 0.00 -1.14 0.00 0.00 41.12 39.87 1ggx n ASP 207 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1ggx n TYR 208 N 1.32 -2.35 0.68 2.11 4.02 -1.02 -4.38 117.16 117.54 1ggx n TYR 208 Ca 0.23 0.83 0.11 0.00 -0.01 0.00 0.00 57.90 59.07 1ggx n TYR 208 Cb 0.69 -4.21 0.09 0.00 -0.02 0.00 0.00 39.34 35.90 1ggx n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ggx n THR 209 N -4.67 0.16 -3.75 -0.72 -2.24 -1.26 -4.74 114.28 97.07 1ggx n THR 209 Ca 0.01 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 1ggx n THR 209 Cb 0.55 0.19 -0.18 0.00 -2.10 0.00 0.00 70.33 68.79 1ggx n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ggx s ILE 210 N -3.14 0.12 0.01 2.28 1.01 -1.26 -0.60 121.20 119.62 1ggx s ILE 210 Ca 0.06 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.90 1ggx s ILE 210 Cb 0.15 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1ggx s ILE 210 CO 0.77 0.21 0.14 -0.69 0.00 0.00 0.00 174.94 175.36 1ggx s VAL 211 N 1.92 0.09 -0.01 2.92 1.01 -0.90 -2.11 120.40 123.32 1ggx s VAL 211 Ca 0.03 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1ggx s VAL 211 Cb -0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1ggx s VAL 211 CO -0.04 -0.41 -0.13 -0.70 0.00 0.00 0.00 175.10 173.82 1ggx s GLU 212 N -1.56 1.07 0.13 2.72 2.12 0.28 -0.08 118.70 123.38 1ggx s GLU 212 Ca -0.13 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.76 1ggx s GLU 212 Cb -0.07 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 1ggx s GLU 212 CO 0.01 0.28 -0.12 -0.65 -0.54 0.00 0.00 175.26 174.24 1ggx s GLN 213 N -0.34 1.02 -0.02 4.30 -0.21 -0.02 -1.13 119.66 123.26 1ggx s GLN 213 Ca 0.05 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.14 1ggx s GLN 213 Cb -0.05 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 33.21 1ggx s GLN 213 CO -0.00 0.13 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.79 1ggx s TYR 214 N -2.59 0.52 -0.02 0.91 5.04 -0.06 -1.73 117.35 119.43 1ggx s TYR 214 Ca 0.11 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 1ggx s TYR 214 Cb -0.02 -0.45 -0.00 0.00 0.35 0.00 0.00 41.96 41.84 1ggx s TYR 214 CO 0.02 -0.10 -0.09 -2.00 -1.34 0.00 0.00 175.55 172.04 1ggx s GLU 215 N 0.52 0.91 -0.14 4.97 2.12 -0.29 -0.75 118.70 126.04 1ggx s GLU 215 Ca -0.06 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1ggx s GLU 215 Cb -0.09 -0.86 -0.00 0.00 0.26 0.00 0.00 34.13 33.43 1ggx s GLU 215 CO -0.00 0.14 -0.17 0.50 -0.54 0.00 0.00 175.26 175.19 1ggx s ARG 216 N 0.06 3.20 -0.12 4.30 3.52 -0.98 -2.10 118.95 126.84 1ggx s ARG 216 Ca -0.01 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 1ggx s ARG 216 Cb -0.07 -2.54 0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1ggx s ARG 216 CO 0.00 0.10 0.28 -0.08 -0.81 0.00 0.00 175.30 174.79 1ggx s THR 217 N 0.60 -0.03 -0.05 4.11 -1.32 0.04 -1.28 115.64 117.71 1ggx s THR 217 Ca -0.10 0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 1ggx s THR 217 Cb -0.16 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1ggx s THR 217 CO 0.03 0.04 0.16 -0.70 -2.21 0.00 0.00 174.62 171.95 1ggx s GLU 218 N 1.02 0.26 0.21 7.08 2.12 -0.50 -2.24 118.70 126.66 1ggx s GLU 218 Ca -0.07 0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 1ggx s GLU 218 Cb -0.08 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1ggx s GLU 218 CO -0.07 -0.04 0.43 0.20 -0.54 0.00 0.00 175.26 175.23 1ggx s GLY 219 N -0.20 1.86 0.10 -1.50 0.00 0.19 -1.13 107.32 106.64 1ggx s GLY 219 Ca -0.03 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.69 1ggx s GLY 219 CO 0.01 -0.67 0.95 1.09 0.00 0.00 0.00 173.10 174.47 1ggx s ARG 220 N -3.29 1.07 0.60 2.90 1.70 0.05 -4.35 118.95 117.62 1ggx s ARG 220 Ca 0.40 -0.54 -0.08 0.00 -0.47 0.00 0.00 55.73 55.04 1ggx s ARG 220 Cb -0.11 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 1ggx s ARG 220 CO 0.29 -0.48 0.94 -1.01 -1.08 0.00 0.00 175.30 173.96 1ggx s HIS 221 N -3.22 3.38 0.42 5.89 3.76 -1.26 -1.40 115.29 122.86 1ggx s HIS 221 Ca 0.10 0.87 -0.26 0.00 -0.15 0.00 0.00 55.06 55.62 1ggx s HIS 221 Cb -0.01 -2.73 -0.10 0.00 1.11 0.00 0.00 32.58 30.85 1ggx s HIS 221 CO -0.01 -0.78 1.38 1.58 -0.85 0.00 0.00 174.74 176.06 1ggx n HIS 222 N -2.65 2.54 0.00 1.40 -0.00 -1.26 -4.73 115.22 110.53 1ggx n HIS 222 Ca 0.05 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.69 1ggx n HIS 222 Cb 0.56 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 1ggx n HIS 222 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ggx n LEU 223 N 0.13 0.00 -3.02 0.27 4.77 -1.26 -4.81 117.00 113.09 1ggx n LEU 223 Ca 0.05 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1ggx n LEU 223 Cb 0.40 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1ggx n LEU 223 CO 0.60 -0.22 0.01 0.49 -1.33 0.00 0.00 177.39 176.94 1ggx n PHE 224 N -1.17 -3.27 1.25 -1.77 3.72 -1.26 -5.32 117.46 109.64 1ggx n PHE 224 Ca 0.00 1.32 0.13 0.00 -0.05 0.00 0.00 57.45 58.85 1ggx n PHE 224 Cb 0.06 -3.62 0.31 0.00 -0.94 0.00 0.00 39.48 35.29 1ggx n PHE 224 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99