#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 5.21 0.88 2.52 1.01 -1.26 -5.03 121.20 124.54 1ggx s ILE 8 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 1ggx s ILE 8 Cb 0.00 -4.21 0.12 0.00 0.01 0.00 0.00 42.46 38.38 1ggx s ILE 8 CO 0.00 -0.71 1.15 -0.54 0.00 0.00 0.00 174.94 174.84 1ggx s LYS 9 N 1.62 1.38 0.38 2.79 -0.14 -1.26 -4.95 119.74 119.56 1ggx s LYS 9 Ca 0.04 0.26 0.05 0.00 -1.36 0.00 0.00 55.97 54.95 1ggx s LYS 9 Cb -0.27 -1.87 0.76 0.00 -1.68 0.00 0.00 37.83 34.78 1ggx s LYS 9 CO 0.05 -2.03 2.04 0.93 -0.76 0.00 0.00 175.35 175.58 1ggx h GLU 10 N -1.37 0.67 -5.35 1.68 5.08 -1.97 -3.40 114.58 109.91 1ggx h GLU 10 Ca -0.49 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.17 1ggx h GLU 10 Cb 1.33 -0.15 -0.33 0.00 0.50 0.00 0.00 28.75 30.10 1ggx h GLU 10 CO 0.63 0.44 -0.87 0.12 -1.00 0.00 0.00 179.01 178.33 1ggx s PHE 11 N -5.60 2.40 -0.00 4.33 5.36 -1.26 -3.87 117.98 119.34 1ggx s PHE 11 Ca -0.09 -0.93 -0.00 0.00 -0.96 0.00 0.00 56.93 54.94 1ggx s PHE 11 Cb 0.18 -1.61 -0.00 0.00 -0.34 0.00 0.00 43.02 41.24 1ggx s PHE 11 CO 0.75 -0.37 0.01 -1.64 -1.46 0.00 0.00 175.22 172.51 1ggx s MET 12 N 0.30 0.05 0.26 10.12 -1.94 -0.60 -5.01 119.30 122.48 1ggx s MET 12 Ca -0.16 -0.05 0.07 0.00 -1.71 0.00 0.00 55.69 53.84 1ggx s MET 12 Cb -0.17 0.02 -0.04 0.00 2.01 0.00 0.00 34.83 36.65 1ggx s MET 12 CO 0.08 -0.01 0.18 1.03 -0.01 0.00 0.00 175.02 176.29 1ggx s ARG 13 N -0.16 2.85 0.06 2.03 0.52 -1.26 -1.21 118.95 121.78 1ggx s ARG 13 Ca -0.02 -1.10 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 1ggx s ARG 13 Cb -0.01 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.96 1ggx s ARG 13 CO -0.00 0.39 0.29 -0.59 0.02 0.00 0.00 175.30 175.41 1ggx s PHE 14 N -2.16 -0.07 0.00 -0.53 -0.12 -0.46 -1.39 117.98 113.26 1ggx s PHE 14 Ca 0.33 -0.14 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 1ggx s PHE 14 Cb -0.08 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1ggx s PHE 14 CO 0.24 -0.53 -0.18 0.15 -0.05 0.00 0.00 175.22 174.85 1ggx s LYS 15 N -2.91 1.42 0.04 1.99 1.02 -0.21 0.41 119.74 121.50 1ggx s LYS 15 Ca -0.02 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1ggx s LYS 15 Cb 0.00 -1.41 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 1ggx s LYS 15 CO -0.06 0.38 -0.08 0.54 -0.92 0.00 0.00 175.35 175.22 1ggx s VAL 16 N -0.53 0.52 -0.02 3.17 0.11 -0.48 -0.42 120.40 122.75 1ggx s VAL 16 Ca 0.07 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1ggx s VAL 16 Cb -0.07 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1ggx s VAL 16 CO -0.00 -0.38 0.01 -0.60 -3.33 0.00 0.00 175.10 170.80 1ggx s ARG 17 N -1.56 0.09 -0.01 1.54 3.52 -0.77 -0.68 118.95 121.07 1ggx s ARG 17 Ca -0.10 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.68 1ggx s ARG 17 Cb -0.10 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 1ggx s ARG 17 CO 0.00 -0.13 -0.21 1.41 -0.81 0.00 0.00 175.30 175.57 1ggx s MET 18 N 0.89 1.66 -0.16 5.12 -2.45 0.15 -0.89 119.30 123.62 1ggx s MET 18 Ca -0.08 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1ggx s MET 18 Cb -0.11 -1.61 0.02 0.00 1.25 0.00 0.00 34.83 34.38 1ggx s MET 18 CO -0.02 0.44 -0.17 -1.21 1.05 0.00 0.00 175.02 175.11 1ggx s GLU 19 N -0.51 2.62 0.26 4.11 2.02 -0.34 -1.61 118.70 125.24 1ggx s GLU 19 Ca 0.08 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.32 1ggx s GLU 19 Cb -0.08 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 1ggx s GLU 19 CO -0.01 -0.23 0.36 0.20 0.02 0.00 0.00 175.26 175.61 1ggx s GLY 20 N 1.39 1.16 -0.06 -1.39 0.00 -0.62 -0.92 107.32 106.88 1ggx s GLY 20 Ca 0.05 -1.36 -0.09 0.00 0.00 0.00 0.00 44.72 43.32 1ggx s GLY 20 CO -0.12 -1.00 0.22 -0.51 0.00 0.00 0.00 173.10 171.70 1ggx s THR 21 N -3.77 0.02 -0.10 0.90 -4.23 -0.47 -0.94 115.64 107.05 1ggx s THR 21 Ca 0.30 -0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1ggx s THR 21 Cb 0.02 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.53 1ggx s THR 21 CO 0.14 -0.09 0.14 -0.69 -0.54 0.00 0.00 174.62 173.57 1ggx s VAL 22 N -0.29 -0.21 -1.54 2.29 1.01 -0.62 -0.25 120.40 120.78 1ggx s VAL 22 Ca -0.04 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1ggx s VAL 22 Cb -0.03 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.08 1ggx s VAL 22 CO 0.01 0.05 0.87 0.59 0.00 0.00 0.00 175.10 176.61 1ggx n ASN 23 N 5.31 -3.74 0.00 3.32 4.13 -0.55 -1.23 115.26 122.50 1ggx n ASN 23 Ca -0.05 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1ggx n ASN 23 Cb 0.50 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 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 -1.64 1.97 3.55 7.41 0.00 -1.26 -5.02 105.19 110.20 1ggx n GLY 24 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.78 3.19 0.30 1.61 5.04 -0.37 -5.06 115.29 117.22 1ggx s HIS 25 Ca 0.00 0.09 -0.09 0.00 -1.54 0.00 0.00 55.06 53.52 1ggx s HIS 25 Cb 0.00 -2.83 -0.07 0.00 0.04 0.00 0.00 32.58 29.73 1ggx s HIS 25 CO 0.00 -0.50 0.63 -1.83 -2.34 0.00 0.00 174.74 170.70 1ggx s GLU 26 N 2.25 3.79 0.22 2.88 -1.05 -1.26 -1.59 118.70 123.92 1ggx s GLU 26 Ca 0.16 0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 55.07 1ggx s GLU 26 Cb -0.16 -2.55 0.05 0.00 -0.44 0.00 0.00 34.13 31.02 1ggx s GLU 26 CO 0.13 0.19 0.66 -0.59 0.95 0.00 0.00 175.26 176.60 1ggx s PHE 27 N -2.03 -0.37 0.04 4.83 -0.71 -0.11 -4.38 117.98 115.24 1ggx s PHE 27 Ca 0.48 0.04 0.04 0.00 -1.04 0.00 0.00 56.93 56.45 1ggx s PHE 27 Cb -0.11 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1ggx s PHE 27 CO 0.25 -1.03 -0.11 -1.21 -1.34 0.00 0.00 175.22 171.78 1ggx s GLU 28 N -3.82 0.69 -0.03 1.99 2.02 0.15 -1.59 118.70 118.12 1ggx s GLU 28 Ca 0.06 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 1ggx s GLU 28 Cb -0.03 -0.61 0.02 0.00 0.10 0.00 0.00 34.13 33.60 1ggx s GLU 28 CO -0.03 0.14 0.06 0.42 0.02 0.00 0.00 175.26 175.86 1ggx s ILE 29 N -1.03 -0.03 0.00 -1.63 1.01 -0.63 -0.98 121.20 117.91 1ggx s ILE 29 Ca -0.03 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1ggx s ILE 29 Cb -0.08 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 1ggx s ILE 29 CO 0.01 0.04 -0.22 -1.61 0.00 0.00 0.00 174.94 173.16 1ggx s GLU 30 N 0.53 1.67 0.27 2.79 2.02 -0.41 -0.67 118.70 124.89 1ggx s GLU 30 Ca -0.04 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.00 1ggx s GLU 30 Cb -0.06 -1.67 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 1ggx s GLU 30 CO -0.02 0.45 0.47 0.20 0.02 0.00 0.00 175.26 176.38 1ggx s GLY 31 N -0.73 0.75 -0.04 -1.39 0.00 0.14 -1.12 107.32 104.93 1ggx s GLY 31 Ca 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1ggx s GLY 31 CO 0.00 -0.72 0.09 -0.54 0.00 0.00 0.00 173.10 171.93 1ggx s GLU 32 N -3.77 0.06 0.11 2.90 2.02 -0.87 -1.38 118.70 117.77 1ggx s GLU 32 Ca 0.25 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.48 1ggx s GLU 32 Cb -0.00 -0.11 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1ggx s GLU 32 CO 0.11 -0.11 0.06 0.41 0.02 0.00 0.00 175.26 175.76 1ggx n GLY 33 N 3.76 3.78 3.60 -1.39 0.00 0.17 -1.50 105.19 113.61 1ggx n GLY 33 Ca -0.21 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.44 0.54 0.00 1.61 -1.05 -0.34 -1.35 118.70 115.66 1ggx s GLU 34 Ca 0.09 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1ggx s GLU 34 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1ggx s GLU 34 CO 0.06 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1ggx n GLY 35 N -0.26 -1.30 2.99 -3.83 0.00 -0.35 -0.34 105.19 102.11 1ggx n GLY 35 Ca -0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.62 1.66 0.56 1.61 0.52 -0.06 -1.55 118.95 121.07 1ggx s ARG 36 Ca 0.00 -2.15 0.32 0.00 -0.52 0.00 0.00 55.73 53.38 1ggx s ARG 36 Cb 0.00 -3.24 1.47 0.00 0.52 0.00 0.00 34.95 33.70 1ggx s ARG 36 CO 0.00 -1.00 1.83 -1.00 0.02 0.00 0.00 175.30 175.15 1ggx h PRO 37 N 7.20 0.00 -0.00 3.54 0.13 -1.79 0.02 132.00 141.09 1ggx h PRO 37 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1ggx h PRO 37 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ggx h PRO 37 CO 0.58 0.00 -0.57 0.66 -0.23 0.00 0.00 178.00 178.44 1ggx n TYR 38 N -4.04 0.00 -0.01 1.56 4.01 -1.26 -4.11 117.16 113.30 1ggx n TYR 38 Ca 0.18 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.02 1ggx n TYR 38 Cb 1.01 -0.14 -0.16 0.00 -0.31 0.00 0.00 39.34 39.74 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 -1.17 0.62 -1.15 -0.72 -0.58 -0.06 -4.73 120.64 112.85 1ggx n GLU 39 Ca 0.07 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1ggx n GLU 39 Cb 0.35 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1ggx n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ggx n GLY 40 N 1.36 0.96 3.10 0.62 0.00 -0.86 -4.71 105.19 105.65 1ggx n GLY 40 Ca -0.04 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 1.19 -0.24 1.61 3.76 -1.22 -0.33 115.29 118.05 1ggx s HIS 41 Ca 0.00 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.41 1ggx s HIS 41 Cb 0.00 -0.76 0.09 0.00 1.11 0.00 0.00 32.58 33.02 1ggx s HIS 41 CO 0.00 -0.01 0.84 0.54 -0.85 0.00 0.00 174.74 175.26 1ggx s ASN 42 N -0.39 -0.61 0.24 1.40 2.20 -0.83 -0.89 114.94 116.06 1ggx s ASN 42 Ca 0.05 1.10 0.10 0.00 -0.94 0.00 0.00 52.86 53.16 1ggx s ASN 42 Cb -0.05 1.08 -0.05 0.00 -2.00 0.00 0.00 41.25 40.23 1ggx s ASN 42 CO -0.00 -0.26 -0.17 0.42 -2.94 0.00 0.00 177.10 174.15 1ggx s THR 43 N 0.06 2.08 -0.07 0.54 -4.23 0.54 -1.11 115.64 113.45 1ggx s THR 43 Ca -0.00 -2.30 -0.17 0.00 -1.18 0.00 0.00 61.69 58.03 1ggx s THR 43 Cb -0.04 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.67 1ggx s THR 43 CO -0.01 -0.51 0.41 0.54 -0.54 0.00 0.00 174.62 174.51 1ggx s VAL 44 N -2.76 0.03 -0.16 2.29 0.11 -0.77 -1.20 120.40 117.94 1ggx s VAL 44 Ca 0.26 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1ggx s VAL 44 Cb -0.03 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1ggx s VAL 44 CO 0.11 -0.13 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.78 1ggx s LYS 45 N -0.78 3.00 0.24 1.54 2.20 -0.56 -0.64 119.74 124.74 1ggx s LYS 45 Ca -0.09 -0.84 0.09 0.00 -0.36 0.00 0.00 55.97 54.77 1ggx s LYS 45 Cb -0.04 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1ggx s LYS 45 CO 0.04 -0.12 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.38 1ggx s LEU 46 N 1.06 3.15 -0.07 5.43 2.01 0.32 -2.06 118.68 128.53 1ggx s LEU 46 Ca -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 54.13 53.50 1ggx s LEU 46 Cb -0.14 -1.72 0.04 0.00 0.01 0.00 0.00 46.19 44.37 1ggx s LEU 46 CO -0.08 0.03 0.15 -0.75 1.01 0.00 0.00 176.35 176.71 1ggx s LYS 47 N -3.41 0.09 -0.39 1.70 2.47 -0.27 -1.27 119.74 118.66 1ggx s LYS 47 Ca 0.30 0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 54.79 1ggx s LYS 47 Cb -0.07 -0.18 0.02 0.00 -1.46 0.00 0.00 37.83 36.14 1ggx s LYS 47 CO 0.19 -0.16 1.16 0.08 0.16 0.00 0.00 175.35 176.78 1ggx s VAL 48 N 1.16 4.28 -1.15 4.02 1.01 0.39 -1.29 120.40 128.82 1ggx s VAL 48 Ca -0.09 1.39 0.23 0.00 0.00 0.00 0.00 61.98 63.51 1ggx s VAL 48 Cb -0.11 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1ggx s VAL 48 CO -0.06 -0.72 1.16 0.35 0.00 0.00 0.00 175.10 175.82 1ggx n THR 49 N 6.43 0.00 -3.63 3.92 -2.24 -0.15 -4.80 114.28 113.80 1ggx n THR 49 Ca 0.13 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1ggx n THR 49 Cb 0.48 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.92 0.78 0.00 -0.78 2.20 -1.12 -4.91 119.74 112.99 1ggx s LYS 50 Ca 0.11 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1ggx s LYS 50 Cb 0.17 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1ggx s LYS 50 CO 0.76 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 1ggx n GLY 51 N 3.06 0.48 3.91 5.54 0.00 -1.26 -0.67 105.19 116.26 1ggx n GLY 51 Ca -0.15 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.57 1.82 0.42 -0.02 0.00 -1.26 -4.05 107.32 101.66 1ggx s GLY 52 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 44.72 43.81 1ggx s GLY 52 CO 0.00 -0.59 1.05 2.56 0.00 0.00 0.00 173.10 176.12 1ggx s PRO 53 N -3.47 4.09 0.22 2.90 0.04 -1.26 -5.11 135.00 132.41 1ggx s PRO 53 Ca 0.42 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1ggx s PRO 53 Cb -0.11 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 1ggx s PRO 53 CO 0.30 -0.20 1.30 -0.51 0.04 0.00 0.00 177.00 177.92 1ggx s LEU 54 N -2.80 4.42 -0.13 -3.56 1.43 -1.26 -4.92 118.68 111.87 1ggx s LEU 54 Ca 0.60 2.43 0.03 0.00 -1.03 0.00 0.00 54.13 56.16 1ggx s LEU 54 Cb -0.21 -3.62 0.28 0.00 0.03 0.00 0.00 46.19 42.67 1ggx s LEU 54 CO 0.26 -0.51 1.16 -0.81 0.23 0.00 0.00 176.35 176.69 1ggx n PRO 55 N 2.36 1.94 -4.04 1.29 -0.04 -1.26 -4.88 135.00 130.38 1ggx n PRO 55 Ca 0.05 -1.15 -0.10 0.00 -0.04 0.00 0.00 63.50 62.26 1ggx n PRO 55 Cb 0.43 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.43 0.55 0.12 0.54 -0.12 -1.26 -4.66 117.98 111.72 1ggx s PHE 56 Ca 0.21 -0.88 -0.31 0.00 -0.05 0.00 0.00 56.93 55.90 1ggx s PHE 56 Cb 0.17 -0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.43 1ggx s PHE 56 CO 0.05 -0.87 1.76 0.00 -0.05 0.00 0.00 175.22 176.11 1ggx s ALA 57 N -4.04 3.77 0.46 1.99 0.00 0.08 -4.89 121.76 119.12 1ggx s ALA 57 Ca 0.26 1.40 0.12 0.00 0.00 0.00 0.00 51.96 53.74 1ggx s ALA 57 Cb 0.02 -3.73 1.06 0.00 0.00 0.00 0.00 23.12 20.47 1ggx s ALA 57 CO 0.08 -1.13 2.08 2.35 0.00 0.00 0.00 175.76 179.14 1ggx h TRP 58 N 8.21 0.18 -1.00 0.00 2.91 -1.95 -3.00 115.95 121.30 1ggx h TRP 58 Ca -0.45 -0.00 0.26 0.00 1.13 0.00 0.00 58.89 59.83 1ggx h TRP 58 Cb 1.21 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.74 1ggx h TRP 58 CO 0.76 0.16 0.68 -0.44 -1.03 0.00 0.00 178.44 178.56 1ggx h ASP 59 N 0.19 0.27 0.83 2.65 3.32 -1.95 0.69 116.42 122.41 1ggx h ASP 59 Ca 0.05 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ggx h ASP 59 Cb 0.06 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ggx h ASP 59 CO -0.00 0.07 0.00 0.16 -1.72 0.00 0.00 179.24 177.75 1ggx h ILE 60 N 0.25 0.00 0.00 0.35 3.07 -1.93 -3.02 117.51 116.23 1ggx h ILE 60 Ca 0.52 -0.31 -0.23 0.00 1.55 0.00 0.00 64.86 66.39 1ggx h ILE 60 Cb 1.58 1.12 -0.04 0.00 -0.27 0.00 0.00 36.82 39.21 1ggx h ILE 60 CO -0.16 0.00 -1.99 0.18 -1.05 0.00 0.00 178.15 175.13 1ggx n LEU 61 N -2.45 0.30 -0.34 0.16 4.77 0.22 -4.51 117.00 115.14 1ggx n LEU 61 Ca 0.02 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1ggx n LEU 61 Cb 0.26 0.25 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 1ggx n LEU 61 CO 0.22 0.29 1.22 0.77 -1.33 0.00 0.00 177.39 178.55 1ggx h SER 62 N 0.00 0.80 0.24 -1.43 4.64 -1.37 0.25 113.55 116.68 1ggx h SER 62 Ca -0.31 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1ggx h SER 62 Cb 1.78 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1ggx h SER 62 CO 0.03 0.36 0.00 -2.65 -0.87 0.00 0.00 176.83 173.70 1ggx n PRO 63 N -4.66 0.56 0.00 4.77 -0.02 -1.26 -2.58 135.00 131.80 1ggx n PRO 63 Ca 0.21 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1ggx n PRO 63 Cb 0.49 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.15 0.24 -2.30 -0.52 1.13 0.07 -4.89 117.38 109.95 1ggx n GLN 64 Ca 0.15 -0.16 -0.40 0.00 -1.94 0.00 0.00 57.00 54.65 1ggx n GLN 64 Cb 0.14 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.24 2.70 0.00 1.08 0.99 -1.07 -5.00 117.46 114.92 1ggx n PHE 65 Ca 0.07 -2.52 0.00 0.00 -0.00 0.00 0.00 57.45 55.00 1ggx n PHE 65 Cb 0.35 -1.32 0.00 0.00 -1.00 0.00 0.00 39.48 37.50 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 0.22 0.00 0.00 4.37 7.64 -1.26 -5.04 113.62 119.55 1ggx n SER 69 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1ggx n SER 69 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.00 0.14 1.43 4.76 -1.26 -1.88 118.16 121.35 1ggx n LYS 70 Ca 0.00 0.35 0.13 0.00 -2.87 0.00 0.00 58.31 55.91 1ggx n LYS 70 Cb 0.00 -1.50 0.46 0.00 -1.84 0.00 0.00 35.03 32.15 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 -0.39 -0.18 3.04 -1.97 -2.88 116.25 113.87 1ggx h VAL 71 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1ggx h VAL 71 Cb 0.00 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 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 -2.36 0.52 -2.45 3.17 4.02 -0.79 -4.77 117.16 114.51 1ggx n TYR 72 Ca 0.03 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.24 1ggx n TYR 72 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 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 -1.48 4.24 -0.06 -0.72 1.01 -1.09 -3.18 120.40 119.12 1ggx s VAL 73 Ca 0.29 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 1ggx s VAL 73 Cb 0.15 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ggx s VAL 73 CO 0.20 -0.01 1.46 -0.75 0.00 0.00 0.00 175.10 176.00 1ggx s LYS 74 N 2.30 4.23 -0.05 2.72 2.20 -1.02 -4.82 119.74 125.30 1ggx s LYS 74 Ca 0.56 1.97 0.05 0.00 -0.36 0.00 0.00 55.97 58.19 1ggx s LYS 74 Cb -0.25 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1ggx s LYS 74 CO 0.22 -0.71 -0.20 -1.01 -0.36 0.00 0.00 175.35 173.29 1ggx s HIS 75 N 3.26 2.56 0.66 4.03 3.76 -1.26 -0.07 115.29 128.22 1ggx s HIS 75 Ca 0.65 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 55.01 1ggx s HIS 75 Cb -0.30 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.79 1ggx s HIS 75 CO 0.24 0.01 1.14 -2.14 -0.85 0.00 0.00 174.74 173.14 1ggx s PRO 76 N -0.49 2.70 0.57 8.40 0.02 -1.26 -4.90 135.00 140.04 1ggx s PRO 76 Ca 0.06 1.51 0.26 0.00 0.02 0.00 0.00 61.00 62.85 1ggx s PRO 76 Cb -0.12 -1.93 1.54 0.00 0.02 0.00 0.00 34.50 34.02 1ggx s PRO 76 CO 0.01 -1.35 2.08 0.00 -0.33 0.00 0.00 177.00 177.42 1ggx h ALA 77 N 0.10 2.00 -0.14 -1.55 0.00 -2.00 -1.97 119.26 115.69 1ggx h ALA 77 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ggx h ALA 77 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ggx h ALA 77 CO 0.53 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1ggx n ASP 78 N -4.04 1.47 -4.09 0.00 5.75 -1.26 -4.67 116.55 109.71 1ggx n ASP 78 Ca 0.03 -1.67 -0.33 0.00 -0.01 0.00 0.00 54.79 52.81 1ggx n ASP 78 Cb 0.36 -0.09 -0.15 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.82 2.40 0.08 2.12 1.01 -0.74 -5.03 121.20 119.21 1ggx s ILE 79 Ca 0.32 -1.71 -0.35 0.00 0.00 0.00 0.00 60.65 58.90 1ggx s ILE 79 Cb 0.17 -2.47 -0.15 0.00 0.01 0.00 0.00 42.46 40.02 1ggx s ILE 79 CO 0.26 -0.16 1.52 -0.81 0.00 0.00 0.00 174.94 175.76 1ggx n PRO 80 N 4.45 1.69 -2.68 2.79 -0.04 -1.26 -4.60 135.00 135.34 1ggx n PRO 80 Ca -0.11 0.61 -0.43 0.00 -0.04 0.00 0.00 63.50 63.53 1ggx n PRO 80 Cb 0.42 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.51 5.18 -0.33 3.54 -0.08 -1.26 -4.35 116.55 122.75 1ggx n ASP 81 Ca 0.19 -3.04 0.01 0.00 -1.51 0.00 0.00 54.79 50.44 1ggx n ASP 81 Cb 0.24 -1.53 0.08 0.00 2.34 0.00 0.00 41.12 42.25 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 6.51 -0.78 -0.56 -0.67 3.20 -1.89 -0.56 116.97 122.21 1ggx h TYR 82 Ca 0.35 0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1ggx h TYR 82 Cb 0.76 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1ggx h TYR 82 CO 1.16 -0.40 0.21 0.87 -1.64 0.00 0.00 178.16 178.36 1ggx h LYS 83 N -0.02 0.86 -0.58 1.82 1.57 -1.91 -1.91 116.57 116.39 1ggx h LYS 83 Ca 0.38 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1ggx h LYS 83 Cb 0.63 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1ggx h LYS 83 CO -0.93 0.76 0.02 0.87 -0.57 0.00 0.00 179.45 179.59 1ggx h LYS 84 N 0.78 1.02 0.00 3.15 1.57 -1.60 -2.73 116.57 118.76 1ggx h LYS 84 Ca 0.19 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ggx h LYS 84 Cb 0.23 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ggx h LYS 84 CO -0.01 1.00 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.72 1ggx h LEU 85 N 0.91 0.00 -1.78 2.94 3.38 -0.93 -2.70 115.31 117.14 1ggx h LEU 85 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ggx h LEU 85 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ggx h LEU 85 CO 0.03 0.08 -0.00 0.77 0.09 0.00 0.00 178.44 179.40 1ggx h SER 86 N 0.00 0.00 -4.21 -0.43 4.64 -1.02 -3.45 113.55 109.09 1ggx h SER 86 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1ggx h SER 86 Cb 0.24 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1ggx h SER 86 CO 0.01 0.00 0.33 -0.36 -0.87 0.00 0.00 176.83 175.95 1ggx s PHE 87 N -3.77 3.25 0.34 4.77 0.40 -1.02 -0.58 117.98 121.38 1ggx s PHE 87 Ca -0.00 0.87 0.36 0.00 -0.60 0.00 0.00 56.93 57.56 1ggx s PHE 87 Cb 0.10 -3.01 1.74 0.00 0.51 0.00 0.00 43.02 42.35 1ggx s PHE 87 CO 0.52 -1.14 2.13 -1.00 0.70 0.00 0.00 175.22 176.43 1ggx h PRO 88 N -0.54 0.00 0.39 0.24 0.13 -1.88 -3.44 132.00 126.89 1ggx h PRO 88 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ggx h PRO 88 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ggx h PRO 88 CO 0.63 0.02 -0.31 0.93 -0.23 0.00 0.00 178.00 179.05 1ggx h GLU 89 N 0.00 -0.67 0.00 0.86 3.07 -1.92 -3.27 114.58 112.65 1ggx h GLU 89 Ca -0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1ggx h GLU 89 Cb 0.32 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1ggx h GLU 89 CO 0.00 -0.45 0.00 0.41 -1.40 0.00 0.00 179.01 177.57 1ggx n GLY 90 N -1.43 -0.75 3.61 -3.84 0.00 0.26 -4.35 105.19 98.69 1ggx n GLY 90 Ca -0.10 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 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 0.28 0.15 1.61 -0.71 -0.84 -1.37 117.98 117.10 1ggx s PHE 91 Ca 0.00 -0.65 0.09 0.00 -1.04 0.00 0.00 56.93 55.33 1ggx s PHE 91 Cb 0.00 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1ggx s PHE 91 CO 0.00 -1.01 -0.21 0.15 -1.34 0.00 0.00 175.22 172.81 1ggx s LYS 92 N -4.00 1.30 0.01 1.99 1.02 0.58 -0.52 119.74 120.13 1ggx s LYS 92 Ca 0.20 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 1ggx s LYS 92 Cb -0.01 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1ggx s LYS 92 CO 0.08 0.34 -0.01 1.67 -0.92 0.00 0.00 175.35 176.51 1ggx s TRP 93 N -1.58 0.14 0.16 3.18 1.48 -0.46 0.34 118.94 122.20 1ggx s TRP 93 Ca 0.14 -0.29 0.04 0.00 -1.06 0.00 0.00 56.10 54.93 1ggx s TRP 93 Cb -0.08 -0.11 -0.05 0.00 -1.16 0.00 0.00 33.47 32.08 1ggx s TRP 93 CO 0.07 -0.11 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.55 1ggx s GLU 94 N -0.83 1.09 0.03 3.25 2.02 -0.40 -0.23 118.70 123.62 1ggx s GLU 94 Ca -0.09 -1.47 -0.24 0.00 0.02 0.00 0.00 54.97 53.18 1ggx s GLU 94 Cb -0.06 -0.61 0.06 0.00 0.10 0.00 0.00 34.13 33.62 1ggx s GLU 94 CO -0.01 0.05 0.56 0.50 0.02 0.00 0.00 175.26 176.39 1ggx s ARG 95 N -3.76 1.04 -0.04 1.61 3.52 -0.20 -0.67 118.95 120.45 1ggx s ARG 95 Ca 0.18 -0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1ggx s ARG 95 Cb 0.03 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.89 1ggx s ARG 95 CO 0.01 -0.37 -0.23 0.08 -0.81 0.00 0.00 175.30 173.98 1ggx s VAL 96 N -2.16 1.88 -0.22 7.11 1.01 0.60 -0.98 120.40 127.63 1ggx s VAL 96 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1ggx s VAL 96 Cb -0.01 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.84 1ggx s VAL 96 CO 0.01 0.53 -0.08 -0.04 0.00 0.00 0.00 175.10 175.52 1ggx s MET 97 N -0.29 1.87 -0.38 2.72 -1.94 0.60 -1.43 119.30 120.45 1ggx s MET 97 Ca 0.01 -0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 1ggx s MET 97 Cb -0.12 -2.55 0.02 0.00 2.01 0.00 0.00 34.83 34.20 1ggx s MET 97 CO 0.02 -0.52 0.23 -0.80 -0.01 0.00 0.00 175.02 173.94 1ggx s ASN 98 N 1.36 5.84 0.25 3.03 0.01 -0.60 -1.24 114.94 123.59 1ggx s ASN 98 Ca -0.04 -0.96 -0.15 0.00 -0.71 0.00 0.00 52.86 51.00 1ggx s ASN 98 Cb -0.18 -2.06 -0.08 0.00 0.41 0.00 0.00 41.25 39.34 1ggx s ASN 98 CO -0.07 -0.40 0.67 -0.36 -1.51 0.00 0.00 177.10 175.43 1ggx s PHE 99 N 1.59 3.49 0.01 2.20 0.40 0.15 -1.03 117.98 124.79 1ggx s PHE 99 Ca 0.03 1.17 0.31 0.00 -0.60 0.00 0.00 56.93 57.83 1ggx s PHE 99 Cb -0.19 -2.48 1.48 0.00 0.51 0.00 0.00 43.02 42.35 1ggx s PHE 99 CO 0.08 0.24 1.93 1.05 0.70 0.00 0.00 175.22 179.22 1ggx h GLU 100 N 2.82 0.00 -0.53 0.44 4.11 -1.64 -2.40 114.58 117.37 1ggx h GLU 100 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1ggx h GLU 100 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1ggx h GLU 100 CO 0.66 0.00 0.02 -0.40 0.07 0.00 0.00 179.01 179.36 1ggx n ASP 101 N -2.66 5.36 0.00 3.06 5.75 -1.26 -4.93 116.55 121.86 1ggx n ASP 101 Ca -0.00 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 1ggx n ASP 101 Cb 0.16 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 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 0.35 3.02 3.71 6.12 0.00 -0.90 -4.64 105.19 112.84 1ggx n GLY 102 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.98 0.62 2.84 -0.02 0.00 -1.12 -4.78 105.19 101.75 1ggx n GLY 103 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.14 0.03 -0.01 1.61 1.01 0.11 -0.67 120.40 121.34 1ggx s VAL 104 Ca 0.58 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1ggx s VAL 104 Cb -0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1ggx s VAL 104 CO 0.61 0.05 -0.10 -0.69 0.00 0.00 0.00 175.10 174.97 1ggx s VAL 105 N 0.42 0.79 0.03 2.92 1.01 -0.37 -0.51 120.40 124.69 1ggx s VAL 105 Ca -0.04 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1ggx s VAL 105 Cb -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ggx s VAL 105 CO -0.01 0.22 -0.24 0.42 0.00 0.00 0.00 175.10 175.49 1ggx s THR 106 N -0.24 1.92 -0.00 3.92 -4.23 -0.83 -0.29 115.64 115.89 1ggx s THR 106 Ca 0.04 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1ggx s THR 106 Cb -0.04 -1.63 -0.00 0.00 1.34 0.00 0.00 72.50 72.16 1ggx s THR 106 CO -0.00 0.35 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.69 1ggx s VAL 107 N -0.74 0.41 -0.03 2.29 1.01 -0.15 -2.30 120.40 120.89 1ggx s VAL 107 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1ggx s VAL 107 Cb -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 1ggx s VAL 107 CO 0.01 0.12 -0.12 0.28 0.00 0.00 0.00 175.10 175.39 1ggx s THR 108 N -0.11 1.01 -0.01 3.92 -1.32 -0.84 -1.04 115.64 117.25 1ggx s THR 108 Ca 0.02 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.94 1ggx s THR 108 Cb -0.02 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1ggx s THR 108 CO -0.00 0.30 0.13 -1.58 -2.21 0.00 0.00 174.62 171.26 1ggx s GLN 109 N 0.08 0.42 -0.09 7.08 -0.44 0.67 -1.46 119.66 125.92 1ggx s GLN 109 Ca -0.02 -0.29 0.04 0.00 -2.50 0.00 0.00 55.36 52.59 1ggx s GLN 109 Cb -0.09 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.46 1ggx s GLN 109 CO 0.01 -0.09 -0.23 0.34 0.50 0.00 0.00 175.29 175.82 1ggx s ASP 110 N -1.11 2.94 -0.15 6.67 -1.08 -0.25 -1.35 116.67 122.34 1ggx s ASP 110 Ca -0.12 -0.53 0.02 0.00 -0.52 0.00 0.00 52.55 51.40 1ggx s ASP 110 Cb -0.06 -1.28 0.01 0.00 -1.46 0.00 0.00 42.92 40.12 1ggx s ASP 110 CO 0.01 0.16 -0.20 -0.44 0.52 0.00 0.00 175.17 175.22 1ggx s SER 111 N 0.32 3.24 0.31 -0.34 0.01 0.32 -1.59 113.70 115.97 1ggx s SER 111 Ca -0.17 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.54 1ggx s SER 111 Cb -0.17 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1ggx s SER 111 CO 0.08 0.06 0.16 -0.94 0.41 0.00 0.00 173.24 173.01 1ggx s SER 112 N 0.93 1.58 -0.18 2.44 1.04 -0.80 -1.98 113.70 116.74 1ggx s SER 112 Ca -0.04 -1.56 0.01 0.00 0.48 0.00 0.00 55.95 54.84 1ggx s SER 112 Cb -0.15 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1ggx s SER 112 CO -0.04 -0.89 -0.16 -0.22 0.98 0.00 0.00 173.24 172.92 1ggx s LEU 113 N -3.38 2.06 -0.06 2.42 2.96 -1.24 -0.78 118.68 120.66 1ggx s LEU 113 Ca 0.35 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1ggx s LEU 113 Cb 0.05 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.44 1ggx s LEU 113 CO 0.18 -0.05 -0.00 -1.10 -1.32 0.00 0.00 176.35 174.05 1ggx s GLN 114 N 1.37 0.55 -1.49 1.98 -0.21 0.02 -4.86 119.66 117.03 1ggx s GLN 114 Ca 0.03 0.09 -0.11 0.00 0.02 0.00 0.00 55.36 55.39 1ggx s GLN 114 Cb -0.14 -0.85 0.07 0.00 1.00 0.00 0.00 33.01 33.09 1ggx s GLN 114 CO -0.11 -0.25 0.95 -3.47 -2.12 0.00 0.00 175.29 170.29 1ggx n ASP 115 N 4.85 -4.26 0.00 5.90 2.03 -1.26 -1.25 116.55 122.57 1ggx n ASP 115 Ca -0.12 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.41 1ggx n ASP 115 Cb 0.50 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 1ggx n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggx n GLY 116 N -1.70 0.48 3.16 0.27 0.00 -1.26 -5.01 105.19 101.14 1ggx n GLY 116 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.26 3.53 -0.16 0.00 0.08 -0.48 -0.80 117.98 119.89 1ggx s PHE 118 Ca 0.03 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.72 1ggx s PHE 118 Cb -0.08 -3.33 0.01 0.00 -0.57 0.00 0.00 43.02 39.05 1ggx s PHE 118 CO 0.00 -0.73 -0.20 0.42 -0.10 0.00 0.00 175.22 174.61 1ggx s ILE 119 N -0.87 2.12 -0.14 0.64 -1.09 0.04 -1.05 121.20 120.86 1ggx s ILE 119 Ca 0.47 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1ggx s ILE 119 Cb -0.32 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1ggx s ILE 119 CO 0.40 0.54 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.25 1ggx s TYR 120 N 1.04 2.90 -0.19 3.97 2.02 0.44 -1.90 117.35 125.64 1ggx s TYR 120 Ca -0.01 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ggx s TYR 120 Cb -0.14 -1.89 0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1ggx s TYR 120 CO -0.07 -0.13 -0.15 0.15 -1.57 0.00 0.00 175.55 173.77 1ggx s LYS 121 N 0.34 2.53 -0.02 -0.62 3.01 -0.62 -1.85 119.74 122.51 1ggx s LYS 121 Ca -0.08 -0.83 0.07 0.00 -1.01 0.00 0.00 55.97 54.12 1ggx s LYS 121 Cb -0.15 -2.47 -0.02 0.00 -1.01 0.00 0.00 37.83 34.18 1ggx s LYS 121 CO 0.05 -0.31 -0.24 0.08 0.51 0.00 0.00 175.35 175.43 1ggx s VAL 122 N 1.33 1.94 -0.10 3.17 1.01 -0.07 -1.09 120.40 126.60 1ggx s VAL 122 Ca 0.02 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ggx s VAL 122 Cb -0.14 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1ggx s VAL 122 CO -0.10 0.55 -0.17 -0.54 0.00 0.00 0.00 175.10 174.83 1ggx s LYS 123 N -0.54 2.36 -0.04 2.72 1.02 -0.53 -1.20 119.74 123.52 1ggx s LYS 123 Ca 0.08 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.47 1ggx s LYS 123 Cb -0.10 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1ggx s LYS 123 CO -0.01 0.03 -0.11 0.12 -0.92 0.00 0.00 175.35 174.46 1ggx s PHE 124 N 0.73 1.25 -0.15 3.18 2.19 -0.10 -2.00 117.98 123.08 1ggx s PHE 124 Ca -0.12 -0.38 -0.02 0.00 0.33 0.00 0.00 56.93 56.73 1ggx s PHE 124 Cb -0.16 -0.90 0.05 0.00 -1.31 0.00 0.00 43.02 40.70 1ggx s PHE 124 CO 0.02 -0.18 0.02 0.42 1.83 0.00 0.00 175.22 177.34 1ggx s ILE 125 N 0.39 0.47 -0.13 3.12 1.01 -0.97 -1.36 121.20 123.73 1ggx s ILE 125 Ca -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1ggx s ILE 125 Cb -0.12 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1ggx s ILE 125 CO 0.02 -0.06 -0.13 -0.83 0.00 0.00 0.00 174.94 173.94 1ggx s GLY 126 N 1.90 1.54 0.16 6.18 0.00 0.65 -1.96 107.32 115.79 1ggx s GLY 126 Ca 0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 1ggx s GLY 126 CO -0.07 -0.17 0.06 -1.34 0.00 0.00 0.00 173.10 171.58 1ggx s VAL 127 N 0.38 0.25 -1.34 1.40 -7.23 0.34 -1.48 120.40 112.71 1ggx s VAL 127 Ca -0.11 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1ggx s VAL 127 Cb -0.16 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1ggx s VAL 127 CO 0.05 -0.34 0.18 -3.20 -0.31 0.00 0.00 175.10 171.48 1ggx n ASN 128 N -0.19 -4.98 -4.67 4.85 5.15 -1.26 -0.71 115.26 113.44 1ggx n ASN 128 Ca -0.04 -0.09 -0.40 0.00 -0.60 0.00 0.00 54.58 53.45 1ggx n ASN 128 Cb 0.64 -3.99 -0.06 0.00 -0.53 0.00 0.00 39.78 35.84 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 -2.90 3.40 0.30 1.20 0.08 -1.26 -2.79 117.98 116.01 1ggx s PHE 129 Ca 0.09 0.97 -0.29 0.00 0.12 0.00 0.00 56.93 57.81 1ggx s PHE 129 Cb -0.04 -2.79 -0.13 0.00 -0.57 0.00 0.00 43.02 39.49 1ggx s PHE 129 CO 0.11 -0.13 1.36 -2.30 -0.10 0.00 0.00 175.22 174.15 1ggx n PRO 130 N 4.85 2.12 0.27 0.24 -0.02 -1.26 -4.86 135.00 136.34 1ggx n PRO 130 Ca -0.01 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1ggx n PRO 130 Cb 0.50 -2.37 0.71 0.00 -0.02 0.00 0.00 33.50 32.31 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 3.39 0.00 -0.50 2.55 4.64 -1.98 -1.46 113.55 120.19 1ggx h SER 131 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ggx h SER 131 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ggx h SER 131 CO 0.69 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 1ggx n ASP 132 N -4.36 4.49 -4.64 4.97 5.68 -1.26 -4.45 116.55 116.98 1ggx n ASP 132 Ca -0.03 -2.62 -0.28 0.00 -0.50 0.00 0.00 54.79 51.37 1ggx n ASP 132 Cb 0.09 -0.54 0.12 0.00 -1.14 0.00 0.00 41.12 39.65 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 -1.16 1.70 0.30 6.12 0.00 -0.55 -4.84 107.32 108.90 1ggx s GLY 133 Ca 0.46 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1ggx s GLY 133 CO 0.18 -0.47 1.87 -2.55 0.00 0.00 0.00 173.10 172.13 1ggx h PRO 134 N -1.04 0.93 0.32 2.90 0.11 -1.94 -0.87 132.00 132.41 1ggx h PRO 134 Ca -0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1ggx h PRO 134 Cb 1.29 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ggx h PRO 134 CO 0.52 0.62 -0.16 0.28 -0.21 0.00 0.00 178.00 179.06 1ggx h VAL 135 N 0.96 0.66 0.00 3.15 2.07 -1.94 -0.53 116.25 120.63 1ggx h VAL 135 Ca 0.45 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ggx h VAL 135 Cb 0.42 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1ggx h VAL 135 CO -0.21 0.11 0.00 0.24 0.02 0.00 0.00 177.57 177.73 1ggx h MET 136 N -0.78 0.00 -0.16 1.57 2.86 -1.76 0.31 114.93 116.97 1ggx h MET 136 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ggx h MET 136 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ggx h MET 136 CO 0.07 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.08 1ggx n GLN 137 N -2.50 2.31 -3.76 1.72 1.13 -0.34 -4.71 117.38 111.23 1ggx n GLN 137 Ca 0.03 -2.03 -0.28 0.00 -1.94 0.00 0.00 57.00 52.78 1ggx n GLN 137 Cb 0.33 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.24 1ggx n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ggx n LYS 138 N 1.36 -2.39 -0.33 -1.09 5.02 -0.37 -4.89 118.16 115.47 1ggx n LYS 138 Ca 0.16 0.47 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 1ggx n LYS 138 Cb 0.59 -4.42 0.22 0.00 -0.02 0.00 0.00 35.03 31.40 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 -4.25 3.02 -3.29 1.97 4.76 -0.35 -4.99 118.16 115.03 1ggx n LYS 139 Ca -0.19 -2.42 -0.30 0.00 -2.87 0.00 0.00 58.31 52.53 1ggx n LYS 139 Cb 0.63 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.57 4.97 -0.34 -0.18 -4.23 -1.26 0.38 115.64 113.41 1ggx s THR 140 Ca 0.34 0.23 0.14 0.00 -1.18 0.00 0.00 61.69 61.22 1ggx s THR 140 Cb 0.22 -3.71 0.46 0.00 1.34 0.00 0.00 72.50 70.81 1ggx s THR 140 CO 0.17 -0.30 1.04 0.23 -0.54 0.00 0.00 174.62 175.22 1ggx n MET 141 N -0.81 2.09 0.00 3.99 2.81 0.49 -4.77 117.12 120.92 1ggx n MET 141 Ca -0.01 -3.72 0.00 0.00 -1.81 0.00 0.00 57.70 52.16 1ggx n MET 141 Cb 0.54 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -0.32 -0.43 3.89 3.03 0.00 -1.26 -4.54 105.19 105.55 1ggx n GLY 142 Ca 0.20 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 3.46 0.59 1.61 0.52 -1.26 -0.64 118.94 120.37 1ggx s TRP 143 Ca 0.00 0.87 -0.09 0.00 0.02 0.00 0.00 56.10 56.89 1ggx s TRP 143 Cb 0.00 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1ggx s TRP 143 CO 0.00 0.08 0.96 -1.21 0.02 0.00 0.00 176.95 176.80 1ggx s GLU 144 N -3.50 3.48 0.64 4.98 0.41 -0.60 -4.85 118.70 119.26 1ggx s GLU 144 Ca 0.48 0.54 -0.18 0.00 -0.41 0.00 0.00 54.97 55.40 1ggx s GLU 144 Cb -0.11 -2.16 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1ggx s GLU 144 CO 0.28 -0.52 1.23 0.00 -0.49 0.00 0.00 175.26 175.75 1ggx s ALA 145 N -3.07 2.41 0.31 5.21 0.00 -1.26 -4.79 121.76 120.57 1ggx s ALA 145 Ca 0.53 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1ggx s ALA 145 Cb -0.11 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1ggx s ALA 145 CO 0.51 -1.43 0.07 -1.54 0.00 0.00 0.00 175.76 173.37 1ggx s SER 146 N -1.67 2.08 -0.13 0.00 1.04 0.97 -4.96 113.70 111.02 1ggx s SER 146 Ca 0.78 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 1ggx s SER 146 Cb -0.31 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 65.84 1ggx s SER 146 CO 0.38 -0.65 0.04 -0.89 0.98 0.00 0.00 173.24 173.10 1ggx s THR 147 N -3.41 0.27 -0.01 2.02 2.01 -1.26 -1.45 115.64 113.82 1ggx s THR 147 Ca 0.37 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 1ggx s THR 147 Cb 0.08 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.87 1ggx s THR 147 CO 0.15 -0.03 0.39 -0.70 -0.69 0.00 0.00 174.62 173.74 1ggx s GLU 148 N 1.99 3.87 -0.29 4.92 2.12 -0.10 -4.51 118.70 126.70 1ggx s GLU 148 Ca 0.02 0.36 -0.08 0.00 0.36 0.00 0.00 54.97 55.63 1ggx s GLU 148 Cb -0.15 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1ggx s GLU 148 CO -0.07 0.70 0.11 0.50 -0.54 0.00 0.00 175.26 175.96 1ggx s ARG 149 N -1.11 3.31 0.24 4.30 3.00 -0.49 -1.66 118.95 126.55 1ggx s ARG 149 Ca 0.23 -0.72 0.10 0.00 -1.00 0.00 0.00 55.73 54.34 1ggx s ARG 149 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 1ggx s ARG 149 CO 0.13 -0.38 -0.07 -0.51 0.00 0.00 0.00 175.30 174.46 1ggx s LEU 150 N 1.57 3.01 -0.11 -0.88 1.02 0.11 -1.58 118.68 121.82 1ggx s LEU 150 Ca 0.04 -0.70 -0.30 0.00 0.02 0.00 0.00 54.13 53.19 1ggx s LEU 150 Cb -0.17 -1.57 0.11 0.00 0.02 0.00 0.00 46.19 44.58 1ggx s LEU 150 CO 0.04 0.04 0.93 -0.72 0.02 0.00 0.00 176.35 176.67 1ggx s TYR 151 N -2.18 -0.39 0.32 0.29 -0.85 -0.44 -1.43 117.35 112.67 1ggx s TYR 151 Ca 0.29 0.57 -0.26 0.00 -0.52 0.00 0.00 57.07 57.15 1ggx s TYR 151 Cb -0.07 0.47 -0.10 0.00 0.38 0.00 0.00 41.96 42.64 1ggx s TYR 151 CO 0.17 -0.42 0.95 -1.25 -1.52 0.00 0.00 175.55 173.48 1ggx s PRO 152 N -1.67 4.57 -0.29 -3.49 0.04 -1.26 -1.42 135.00 131.49 1ggx s PRO 152 Ca -0.01 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 1ggx s PRO 152 Cb -0.01 -2.81 0.14 0.00 0.04 0.00 0.00 34.50 31.86 1ggx s PRO 152 CO -0.00 0.27 1.06 0.50 0.04 0.00 0.00 177.00 178.86 1ggx s ARG 153 N -2.04 0.42 -1.84 4.56 3.52 -0.03 -4.92 118.95 118.62 1ggx s ARG 153 Ca 0.50 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1ggx s ARG 153 Cb -0.19 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1ggx s ARG 153 CO 0.24 -0.06 0.00 -3.47 -0.81 0.00 0.00 175.30 171.20 1ggx n ASP 154 N 2.62 -5.80 0.00 -2.12 2.03 -1.26 -1.51 116.55 110.50 1ggx n ASP 154 Ca -0.14 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1ggx n ASP 154 Cb 0.56 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 1ggx n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggx n GLY 155 N -0.92 0.87 2.39 0.27 0.00 -1.26 -5.01 105.19 101.53 1ggx n GLY 155 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.25 0.00 -4.10 1.61 0.24 -0.57 -4.95 118.33 108.32 1ggx n VAL 156 Ca 0.00 -1.70 -0.35 0.00 -2.04 0.00 0.00 64.34 60.25 1ggx n VAL 156 Cb 0.00 0.63 -0.10 0.00 -1.47 0.00 0.00 33.84 32.91 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 3.78 0.22 1.34 2.96 -0.86 -0.85 118.68 125.27 1ggx s LEU 157 Ca 0.16 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 1ggx s LEU 157 Cb 0.01 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ggx s LEU 157 CO 0.11 0.23 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.68 1ggx s LYS 158 N 0.01 1.42 -0.09 1.98 1.02 -0.51 -0.14 119.74 123.43 1ggx s LYS 158 Ca 0.05 -1.63 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 1ggx s LYS 158 Cb -0.12 -1.31 0.08 0.00 -0.52 0.00 0.00 37.83 35.96 1ggx s LYS 158 CO 0.01 0.23 0.73 0.20 -0.92 0.00 0.00 175.35 175.60 1ggx s GLY 159 N -3.32 -0.53 0.07 -3.33 0.00 -0.94 -1.33 107.32 97.94 1ggx s GLY 159 Ca 0.24 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.53 1ggx s GLY 159 CO 0.09 1.07 -0.16 -0.54 0.00 0.00 0.00 173.10 173.56 1ggx s GLU 160 N -0.98 0.92 -0.01 2.90 8.01 -0.61 -0.67 118.70 128.26 1ggx s GLU 160 Ca -0.08 -0.98 -0.01 0.00 0.01 0.00 0.00 54.97 53.92 1ggx s GLU 160 Cb -0.01 -0.99 0.00 0.00 -4.31 0.00 0.00 34.13 28.82 1ggx s GLU 160 CO 0.08 0.23 0.02 0.42 0.01 0.00 0.00 175.26 176.01 1ggx s ILE 161 N -1.18 -0.00 -0.51 -1.63 1.01 -0.02 -1.40 121.20 117.47 1ggx s ILE 161 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 1ggx s ILE 161 Cb -0.10 -0.04 0.12 0.00 0.01 0.00 0.00 42.46 42.46 1ggx s ILE 161 CO 0.03 0.01 0.45 -1.00 0.00 0.00 0.00 174.94 174.42 1ggx s HIS 162 N 0.10 3.30 0.40 3.97 3.76 -1.26 -0.02 115.29 125.54 1ggx s HIS 162 Ca -0.01 -1.42 0.08 0.00 -0.15 0.00 0.00 55.06 53.56 1ggx s HIS 162 Cb -0.01 -3.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.00 1ggx s HIS 162 CO -0.00 -0.99 0.39 0.15 -0.85 0.00 0.00 174.74 173.43 1ggx s LYS 163 N 1.54 2.62 -0.16 1.40 1.02 -0.17 -4.80 119.74 121.19 1ggx s LYS 163 Ca 0.04 -1.44 -0.14 0.00 0.02 0.00 0.00 55.97 54.44 1ggx s LYS 163 Cb -0.28 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1ggx s LYS 163 CO 0.02 -0.15 0.42 0.00 -0.92 0.00 0.00 175.35 174.72 1ggx s ALA 164 N -2.42 -1.03 -0.14 5.17 0.00 -1.26 -1.63 121.76 120.44 1ggx s ALA 164 Ca 0.48 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.56 1ggx s ALA 164 Cb -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1ggx s ALA 164 CO 0.28 -0.20 0.07 -0.51 0.00 0.00 0.00 175.76 175.41 1ggx s LEU 165 N 0.25 3.96 0.14 0.00 1.43 -0.28 -1.56 118.68 122.62 1ggx s LEU 165 Ca -0.00 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1ggx s LEU 165 Cb -0.03 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 1ggx s LEU 165 CO 0.00 0.30 1.01 -0.54 0.23 0.00 0.00 176.35 177.35 1ggx s LYS 166 N -0.40 4.67 0.10 1.70 1.02 0.18 -1.04 119.74 125.98 1ggx s LYS 166 Ca 0.10 1.55 -0.12 0.00 0.02 0.00 0.00 55.97 57.51 1ggx s LYS 166 Cb -0.12 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 33.79 1ggx s LYS 166 CO 0.02 0.18 0.47 -0.51 -0.92 0.00 0.00 175.35 174.59 1ggx s LEU 167 N -0.19 4.36 0.25 3.17 1.43 -0.79 0.19 118.68 127.09 1ggx s LEU 167 Ca 0.48 0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 1ggx s LEU 167 Cb -0.26 -3.07 0.26 0.00 0.03 0.00 0.00 46.19 43.15 1ggx s LEU 167 CO 0.32 0.15 1.88 0.50 0.23 0.00 0.00 176.35 179.43 1ggx h LYS 168 N 3.73 1.23 -0.78 1.70 3.64 -0.37 -1.98 116.57 123.73 1ggx h LYS 168 Ca -0.49 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 1ggx h LYS 168 Cb 1.20 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1ggx h LYS 168 CO 0.66 0.88 0.01 -0.25 -2.27 0.00 0.00 179.45 178.48 1ggx n ASP 169 N -4.34 3.63 0.00 4.20 8.00 -1.26 -5.01 116.55 121.76 1ggx n ASP 169 Ca 0.10 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 53.07 1ggx n ASP 169 Cb 0.08 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.33 -0.18 2.18 0.44 0.00 -0.75 -5.11 105.19 102.11 1ggx n GLY 170 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.21 -2.38 3.30 -0.02 0.00 -1.26 -4.57 105.19 100.47 1ggx n GLY 171 Ca 0.00 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.33 1.63 -0.26 1.61 3.76 -1.26 -1.88 115.29 118.56 1ggx s HIS 172 Ca 0.00 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1ggx s HIS 172 Cb 0.00 -0.82 0.06 0.00 1.11 0.00 0.00 32.58 32.93 1ggx s HIS 172 CO 0.00 0.25 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.56 1ggx s TYR 173 N -2.20 3.24 0.18 1.40 5.04 -0.20 -4.91 117.35 119.90 1ggx s TYR 173 Ca 0.14 -2.30 -0.26 0.00 -2.44 0.00 0.00 57.07 52.20 1ggx s TYR 173 Cb -0.05 -1.92 -0.08 0.00 0.35 0.00 0.00 41.96 40.26 1ggx s TYR 173 CO 0.05 -0.88 0.82 -0.51 -1.34 0.00 0.00 175.55 173.69 1ggx s LEU 174 N 1.11 4.61 -0.05 6.97 1.43 -1.26 -1.13 118.68 130.36 1ggx s LEU 174 Ca -0.09 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1ggx s LEU 174 Cb -0.20 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1ggx s LEU 174 CO -0.05 0.19 0.09 -0.69 0.23 0.00 0.00 176.35 176.12 1ggx s VAL 175 N -1.12 -0.09 -0.14 -1.59 1.01 -0.65 -1.75 120.40 116.07 1ggx s VAL 175 Ca 0.37 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 1ggx s VAL 175 Cb -0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1ggx s VAL 175 CO 0.28 0.10 0.28 -0.70 0.00 0.00 0.00 175.10 175.06 1ggx s GLU 176 N 1.39 4.16 -0.14 2.72 2.12 -0.20 -1.00 118.70 127.75 1ggx s GLU 176 Ca -0.06 0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.31 1ggx s GLU 176 Cb -0.12 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1ggx s GLU 176 CO -0.04 0.33 0.02 -0.06 -0.54 0.00 0.00 175.26 174.96 1ggx s PHE 177 N 0.20 3.19 -0.16 5.30 0.40 0.98 -1.56 117.98 126.33 1ggx s PHE 177 Ca 0.17 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1ggx s PHE 177 Cb -0.13 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.49 1ggx s PHE 177 CO 0.04 0.24 -0.03 0.15 0.70 0.00 0.00 175.22 176.33 1ggx s LYS 178 N -0.12 1.15 0.21 0.44 1.02 -0.52 -0.84 119.74 121.08 1ggx s LYS 178 Ca 0.05 -0.40 0.11 0.00 0.02 0.00 0.00 55.97 55.76 1ggx s LYS 178 Cb -0.12 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1ggx s LYS 178 CO 0.02 -0.45 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.65 1ggx s SER 179 N 1.73 3.52 -0.09 2.83 0.01 0.15 -0.29 113.70 121.57 1ggx s SER 179 Ca 0.01 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1ggx s SER 179 Cb -0.15 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.81 1ggx s SER 179 CO -0.07 0.11 -0.04 -0.63 0.41 0.00 0.00 173.24 173.02 1ggx s ILE 180 N -1.81 0.66 -0.26 1.44 1.09 0.15 -2.21 121.20 120.26 1ggx s ILE 180 Ca 0.23 -0.07 -0.06 0.00 -1.10 0.00 0.00 60.65 59.64 1ggx s ILE 180 Cb -0.07 -0.75 -0.01 0.00 -1.06 0.00 0.00 42.46 40.57 1ggx s ILE 180 CO 0.11 0.30 0.05 -0.31 -0.10 0.00 0.00 174.94 175.00 1ggx s TYR 181 N 1.75 3.09 -0.29 3.97 2.02 0.81 -1.27 117.35 127.42 1ggx s TYR 181 Ca 0.03 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 56.00 1ggx s TYR 181 Cb -0.13 -2.22 0.07 0.00 -0.40 0.00 0.00 41.96 39.28 1ggx s TYR 181 CO -0.06 -0.48 -0.04 -1.64 -1.57 0.00 0.00 175.55 171.75 1ggx s MET 182 N 1.54 2.13 0.42 -0.62 -1.94 0.15 -2.03 119.30 118.96 1ggx s MET 182 Ca 0.05 -1.45 -0.25 0.00 -1.71 0.00 0.00 55.69 52.33 1ggx s MET 182 Cb -0.16 -3.04 -0.08 0.00 2.01 0.00 0.00 34.83 33.56 1ggx s MET 182 CO 0.02 -0.67 1.21 0.00 -0.01 0.00 0.00 175.02 175.57 1ggx s ALA 183 N 1.10 3.14 -1.25 3.03 0.00 -1.26 -0.31 121.76 126.21 1ggx s ALA 183 Ca -0.04 1.04 0.22 0.00 0.00 0.00 0.00 51.96 53.18 1ggx s ALA 183 Cb -0.20 -3.41 1.05 0.00 0.00 0.00 0.00 23.12 20.56 1ggx s ALA 183 CO -0.05 -0.66 1.72 1.63 0.00 0.00 0.00 175.76 178.41 1ggx n LYS 184 N -0.04 0.18 -3.76 0.00 5.02 -0.47 -4.56 118.16 114.53 1ggx n LYS 184 Ca 0.05 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1ggx n LYS 184 Cb 0.46 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 1ggx n LYS 184 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ggx s LYS 185 N -2.75 0.18 -1.06 1.97 -2.85 -1.26 -5.04 119.74 108.93 1ggx s LYS 185 Ca 0.17 0.39 -0.26 0.00 -1.00 0.00 0.00 55.97 55.27 1ggx s LYS 185 Cb 0.15 -0.05 -0.18 0.00 -2.06 0.00 0.00 37.83 35.68 1ggx s LYS 185 CO 0.37 -0.11 2.11 -1.25 0.10 0.00 0.00 175.35 176.56 1ggx s PRO 186 N 0.81 1.52 0.54 1.78 0.04 -1.26 -4.89 135.00 133.54 1ggx s PRO 186 Ca -0.06 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1ggx s PRO 186 Cb -0.07 -5.01 0.03 0.00 0.04 0.00 0.00 34.50 29.48 1ggx s PRO 186 CO -0.05 -5.02 0.78 0.14 0.04 0.00 0.00 177.00 172.89 1ggx s VAL 187 N 15.38 3.00 -0.03 -0.36 -7.23 -1.26 -5.00 120.40 124.90 1ggx s VAL 187 Ca 0.80 -0.56 -0.36 0.00 -1.81 0.00 0.00 61.98 60.06 1ggx s VAL 187 Cb -0.05 -3.14 -0.14 0.00 0.56 0.00 0.00 36.38 33.61 1ggx s VAL 187 CO 0.15 -0.10 1.69 1.67 -0.31 0.00 0.00 175.10 178.20 1ggx n GLN 188 N -2.34 1.83 -3.49 4.82 7.27 -1.26 -4.99 117.38 119.22 1ggx n GLN 188 Ca 0.06 0.67 -0.30 0.00 0.07 0.00 0.00 57.00 57.49 1ggx n GLN 188 Cb 0.59 -2.43 -0.04 0.00 2.41 0.00 0.00 30.24 30.77 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 2.59 4.17 0.00 1.69 1.43 -1.26 -4.10 118.68 123.20 1ggx s LEU 189 Ca 0.89 0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1ggx s LEU 189 Cb -0.80 -3.49 0.11 0.00 0.03 0.00 0.00 46.19 42.04 1ggx s LEU 189 CO 0.50 -0.07 0.72 -0.81 0.23 0.00 0.00 176.35 176.92 1ggx n PRO 190 N -0.34 -0.22 0.00 1.29 -0.04 -1.26 -4.81 135.00 129.61 1ggx n PRO 190 Ca -0.01 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1ggx n PRO 190 Cb 0.53 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.17 1.72 3.66 0.55 0.00 -1.26 -4.27 105.19 105.43 1ggx n GLY 191 Ca 0.11 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 2.17 2.61 0.29 1.61 5.04 -1.26 -4.35 117.35 123.45 1ggx s TYR 192 Ca 0.00 0.80 -0.07 0.00 -2.44 0.00 0.00 57.07 55.36 1ggx s TYR 192 Cb 0.00 -3.66 0.03 0.00 0.35 0.00 0.00 41.96 38.68 1ggx s TYR 192 CO 0.00 -2.22 0.50 2.48 -1.34 0.00 0.00 175.55 174.97 1ggx n TYR 193 N 6.93 -1.66 -4.32 4.97 4.11 -0.51 -4.85 117.16 121.82 1ggx n TYR 193 Ca 0.15 -1.65 -0.19 0.00 -0.00 0.00 0.00 57.90 56.22 1ggx n TYR 193 Cb 0.45 0.58 -0.10 0.00 -0.00 0.00 0.00 39.34 40.26 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 -3.55 1.66 -0.08 -3.48 1.51 -0.46 0.05 117.35 113.00 1ggx s TYR 194 Ca 0.18 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1ggx s TYR 194 Cb -0.02 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 41.07 1ggx s TYR 194 CO 0.13 0.31 0.03 0.08 -1.11 0.00 0.00 175.55 174.99 1ggx s VAL 195 N -2.75 0.20 -0.01 0.71 1.01 -0.66 -0.35 120.40 118.55 1ggx s VAL 195 Ca 0.19 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1ggx s VAL 195 Cb -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1ggx s VAL 195 CO 0.06 0.14 0.50 -1.81 0.00 0.00 0.00 175.10 173.98 1ggx s ASP 196 N 2.04 6.87 0.02 3.32 1.01 -0.06 -0.92 116.67 128.94 1ggx s ASP 196 Ca 0.04 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1ggx s ASP 196 Cb -0.13 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1ggx s ASP 196 CO -0.05 0.19 -0.04 -0.44 0.21 0.00 0.00 175.17 175.04 1ggx s SER 197 N -0.48 0.33 -0.21 0.27 0.01 -0.53 -1.27 113.70 111.82 1ggx s SER 197 Ca 0.27 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 1ggx s SER 197 Cb -0.17 0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.26 1ggx s SER 197 CO 0.15 -0.30 0.27 -0.75 0.41 0.00 0.00 173.24 173.02 1ggx s LYS 198 N -1.55 0.24 -0.19 12.44 2.20 -0.35 -0.02 119.74 132.51 1ggx s LYS 198 Ca -0.14 0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1ggx s LYS 198 Cb -0.09 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.28 1ggx s LYS 198 CO -0.01 -0.63 0.00 -1.17 -0.36 0.00 0.00 175.35 173.18 1ggx s LEU 199 N 2.40 3.35 0.00 5.43 0.20 -1.26 -2.04 118.68 126.76 1ggx s LEU 199 Ca 0.08 -0.14 0.08 0.00 0.69 0.00 0.00 54.13 54.84 1ggx s LEU 199 Cb -0.15 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1ggx s LEU 199 CO -0.13 0.11 -0.24 -1.81 -0.29 0.00 0.00 176.35 173.99 1ggx s ASP 200 N 0.75 3.28 -0.43 3.68 1.01 0.81 -4.55 116.67 121.21 1ggx s ASP 200 Ca 0.00 -0.47 -0.23 0.00 0.71 0.00 0.00 52.55 52.56 1ggx s ASP 200 Cb -0.14 -0.41 0.02 0.00 1.01 0.00 0.00 42.92 43.40 1ggx s ASP 200 CO 0.02 0.30 0.76 -0.63 0.21 0.00 0.00 175.17 175.83 1ggx s ILE 201 N -0.72 4.69 -0.36 0.77 -1.09 -1.26 -0.42 121.20 122.82 1ggx s ILE 201 Ca 0.11 0.44 0.23 0.00 -2.23 0.00 0.00 60.65 59.21 1ggx s ILE 201 Cb -0.10 -4.28 0.10 0.00 -1.58 0.00 0.00 42.46 36.60 1ggx s ILE 201 CO 0.01 -0.65 1.25 0.71 -1.23 0.00 0.00 174.94 175.03 1ggx h THR 202 N 5.93 0.00 -2.28 2.92 1.35 -1.53 -3.48 112.91 115.81 1ggx h THR 202 Ca -0.25 -0.92 0.05 0.00 -0.55 0.00 0.00 66.41 64.74 1ggx h THR 202 Cb 1.09 1.57 -0.16 0.00 -1.73 0.00 0.00 68.15 68.92 1ggx h THR 202 CO 0.94 0.00 0.38 -0.94 -0.25 0.00 0.00 175.52 175.65 1ggx s SER 203 N -5.41 -0.46 -0.22 5.36 1.04 -1.19 -4.98 113.70 107.83 1ggx s SER 203 Ca 0.03 0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.37 1ggx s SER 203 Cb 0.09 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.79 1ggx s SER 203 CO 0.74 -0.65 1.07 -1.38 0.98 0.00 0.00 173.24 174.00 1ggx s HIS 204 N -2.60 -0.35 0.71 5.02 -0.00 -1.26 -1.84 115.29 114.96 1ggx s HIS 204 Ca 0.00 0.72 -0.05 0.00 -0.00 0.00 0.00 55.06 55.73 1ggx s HIS 204 Cb -0.01 0.43 0.09 0.00 -0.00 0.00 0.00 32.58 33.08 1ggx s HIS 204 CO -0.05 -0.25 1.01 0.54 -0.00 0.00 0.00 174.74 175.99 1ggx s ASN 205 N -0.56 4.60 0.27 7.38 2.20 -1.02 -4.94 114.94 122.87 1ggx s ASN 205 Ca 0.01 0.20 -0.03 0.00 -0.94 0.00 0.00 52.86 52.10 1ggx s ASN 205 Cb -0.02 -0.76 0.56 0.00 -2.00 0.00 0.00 41.25 39.02 1ggx s ASN 205 CO -0.03 -1.71 1.61 -0.08 -2.94 0.00 0.00 177.10 173.95 1ggx h GLU 206 N -0.60 0.08 -0.55 3.55 4.22 -2.02 -2.01 114.58 117.25 1ggx h GLU 206 Ca -0.42 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1ggx h GLU 206 Cb 1.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ggx h GLU 206 CO 0.53 0.05 0.00 -0.40 -2.18 0.00 0.00 179.01 177.01 1ggx n ASP 207 N -5.39 4.67 -3.83 1.04 5.68 -1.26 -4.97 116.55 112.49 1ggx n ASP 207 Ca 0.17 -2.59 -0.28 0.00 -0.50 0.00 0.00 54.79 51.59 1ggx n ASP 207 Cb 0.58 -0.56 0.04 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.72 -2.39 0.63 2.11 4.02 -0.76 -4.46 117.16 117.03 1ggx n TYR 208 Ca 0.24 0.92 0.11 0.00 -0.01 0.00 0.00 57.90 59.17 1ggx n TYR 208 Cb 0.91 -4.23 0.01 0.00 -0.02 0.00 0.00 39.34 36.01 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 -4.71 0.12 -3.76 -0.72 -2.24 -1.26 -4.73 114.28 96.98 1ggx n THR 209 Ca 0.00 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 1ggx n THR 209 Cb 0.55 0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 68.92 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 -3.17 0.44 0.03 2.28 1.01 -1.26 -0.46 121.20 120.06 1ggx s ILE 210 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1ggx s ILE 210 Cb 0.15 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 1ggx s ILE 210 CO 0.81 0.09 -0.05 -0.69 0.00 0.00 0.00 174.94 175.10 1ggx s VAL 211 N 1.93 0.33 0.01 2.92 1.01 -0.40 -2.43 120.40 123.77 1ggx s VAL 211 Ca 0.03 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1ggx s VAL 211 Cb -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1ggx s VAL 211 CO -0.06 -0.40 -0.19 -1.61 0.00 0.00 0.00 175.10 172.83 1ggx s GLU 212 N -1.42 1.47 0.14 2.72 2.02 -0.77 0.12 118.70 122.97 1ggx s GLU 212 Ca -0.12 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.14 1ggx s GLU 212 Cb -0.09 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 1ggx s GLU 212 CO -0.00 0.39 -0.10 -0.65 0.02 0.00 0.00 175.26 174.92 1ggx s GLN 213 N -0.73 1.02 -0.02 1.61 -0.21 0.19 -1.32 119.66 120.21 1ggx s GLN 213 Ca 0.07 -1.39 0.01 0.00 0.02 0.00 0.00 55.36 54.07 1ggx s GLN 213 Cb -0.08 -0.62 0.01 0.00 1.00 0.00 0.00 33.01 33.33 1ggx s GLN 213 CO 0.00 0.08 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.75 1ggx s TYR 214 N -3.14 0.44 -0.03 0.91 5.04 0.44 -1.85 117.35 119.16 1ggx s TYR 214 Ca 0.15 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.71 1ggx s TYR 214 Cb 0.01 -0.37 0.01 0.00 0.35 0.00 0.00 41.96 41.97 1ggx s TYR 214 CO 0.00 -0.07 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.09 1ggx s GLU 215 N 0.40 0.73 -0.13 4.97 2.12 -0.27 -0.13 118.70 126.38 1ggx s GLU 215 Ca -0.04 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1ggx s GLU 215 Cb -0.08 -0.73 -0.02 0.00 0.26 0.00 0.00 34.13 33.57 1ggx s GLU 215 CO -0.01 -0.01 -0.12 0.50 -0.54 0.00 0.00 175.26 175.09 1ggx s ARG 216 N 0.57 3.42 -0.16 4.30 3.52 -0.87 -1.97 118.95 127.77 1ggx s ARG 216 Ca -0.07 -0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 54.77 1ggx s ARG 216 Cb -0.11 -2.67 0.06 0.00 -1.56 0.00 0.00 34.95 30.67 1ggx s ARG 216 CO 0.00 0.21 0.38 -0.08 -0.81 0.00 0.00 175.30 175.01 1ggx s THR 217 N 0.36 -0.03 -0.05 4.11 -1.32 0.55 -1.21 115.64 118.06 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 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.28 1ggx s THR 217 CO 0.05 0.04 0.16 -1.61 -2.21 0.00 0.00 174.62 171.05 1ggx s GLU 218 N 1.31 0.25 0.27 7.08 2.02 -0.40 -2.44 118.70 126.78 1ggx s GLU 218 Ca -0.09 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 1ggx s GLU 218 Cb -0.08 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.22 1ggx s GLU 218 CO -0.11 -0.04 0.48 0.20 0.02 0.00 0.00 175.26 175.81 1ggx s GLY 219 N -0.18 1.68 0.09 -1.39 0.00 0.89 -0.88 107.32 107.53 1ggx s GLY 219 Ca -0.03 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 1ggx s GLY 219 CO 0.00 -0.71 0.95 1.09 0.00 0.00 0.00 173.10 174.43 1ggx s ARG 220 N -3.66 1.03 0.63 2.90 1.70 0.53 -4.40 118.95 117.68 1ggx s ARG 220 Ca 0.40 -0.52 -0.10 0.00 -0.47 0.00 0.00 55.73 55.04 1ggx s ARG 220 Cb -0.10 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1ggx s ARG 220 CO 0.31 -0.47 1.01 -1.01 -1.08 0.00 0.00 175.30 174.06 1ggx s HIS 221 N -3.19 3.49 0.49 5.89 3.76 -1.26 -1.35 115.29 123.11 1ggx s HIS 221 Ca 0.10 1.10 -0.24 0.00 -0.15 0.00 0.00 55.06 55.87 1ggx s HIS 221 Cb -0.01 -2.78 -0.07 0.00 1.11 0.00 0.00 32.58 30.82 1ggx s HIS 221 CO -0.02 -0.81 1.35 1.58 -0.85 0.00 0.00 174.74 175.99 1ggx n HIS 222 N -2.76 2.34 0.00 1.40 -0.00 -1.26 -4.65 115.22 110.29 1ggx n HIS 222 Ca 0.06 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.69 1ggx n HIS 222 Cb 0.55 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 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 -0.41 0.00 -4.42 0.27 4.77 -1.26 -4.64 117.00 111.31 1ggx n LEU 223 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 1ggx n LEU 223 Cb 0.42 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1ggx n LEU 223 CO 0.57 0.00 -0.21 0.49 -1.33 0.00 0.00 177.39 176.91 1ggx n PHE 224 N -0.44 -1.14 0.00 -1.77 3.01 -1.26 -5.32 117.46 110.54 1ggx n PHE 224 Ca 0.00 0.65 0.00 0.00 1.01 0.00 0.00 57.45 59.11 1ggx n PHE 224 Cb 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 39.48 37.51 1ggx n PHE 224 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24