#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 5.18 0.87 2.52 1.01 -1.26 -4.97 121.20 124.55 1ggx s ILE 8 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 1ggx s ILE 8 Cb 0.00 -4.34 0.12 0.00 0.01 0.00 0.00 42.46 38.24 1ggx s ILE 8 CO 0.00 -0.88 1.17 -0.54 0.00 0.00 0.00 174.94 174.69 1ggx s LYS 9 N 1.70 1.44 0.52 2.79 -0.14 -1.26 -4.94 119.74 119.84 1ggx s LYS 9 Ca 0.04 0.16 0.24 0.00 -1.36 0.00 0.00 55.97 55.05 1ggx s LYS 9 Cb -0.29 -1.89 1.43 0.00 -1.68 0.00 0.00 37.83 35.40 1ggx s LYS 9 CO 0.03 -1.97 2.10 0.93 -0.76 0.00 0.00 175.35 175.69 1ggx h GLU 10 N -1.33 0.00 -5.11 1.68 5.08 -1.97 -3.41 114.58 109.52 1ggx h GLU 10 Ca -0.48 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.30 1ggx h GLU 10 Cb 1.32 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.25 1ggx h GLU 10 CO 0.62 0.10 -0.84 0.12 -1.00 0.00 0.00 179.01 178.00 1ggx s PHE 11 N -4.45 1.86 -0.10 4.33 5.36 -1.26 -4.01 117.98 119.71 1ggx s PHE 11 Ca -0.04 -0.64 -0.08 0.00 -0.96 0.00 0.00 56.93 55.21 1ggx s PHE 11 Cb 0.14 -1.28 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 1ggx s PHE 11 CO 0.61 -0.26 0.25 -1.64 -1.46 0.00 0.00 175.22 172.72 1ggx s MET 12 N 0.29 0.28 0.35 10.12 -1.94 -0.69 -5.01 119.30 122.70 1ggx s MET 12 Ca -0.11 0.39 0.07 0.00 -1.71 0.00 0.00 55.69 54.34 1ggx s MET 12 Cb -0.14 0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.77 1ggx s MET 12 CO 0.04 -0.06 0.39 1.03 -0.01 0.00 0.00 175.02 176.41 1ggx s ARG 13 N 0.38 2.84 0.09 2.03 0.52 -1.26 -1.01 118.95 122.55 1ggx s ARG 13 Ca -0.02 -1.23 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 1ggx s ARG 13 Cb -0.04 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.87 1ggx s ARG 13 CO -0.02 0.01 0.40 -0.59 0.02 0.00 0.00 175.30 175.13 1ggx s PHE 14 N -2.29 -0.22 0.05 -0.53 -0.12 -0.09 -1.75 117.98 113.04 1ggx s PHE 14 Ca 0.44 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.40 1ggx s PHE 14 Cb -0.07 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1ggx s PHE 14 CO 0.29 -0.65 -0.17 0.15 -0.05 0.00 0.00 175.22 174.79 1ggx s LYS 15 N -3.29 1.09 0.03 1.99 1.02 -0.39 -0.38 119.74 119.81 1ggx s LYS 15 Ca -0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 1ggx s LYS 15 Cb 0.01 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1ggx s LYS 15 CO -0.08 0.29 -0.01 0.54 -0.92 0.00 0.00 175.35 175.17 1ggx s VAL 16 N -0.92 0.14 -0.03 3.17 0.11 -0.32 -0.45 120.40 122.10 1ggx s VAL 16 Ca 0.04 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1ggx s VAL 16 Cb -0.09 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1ggx s VAL 16 CO 0.02 -0.64 0.08 -0.60 -3.33 0.00 0.00 175.10 170.62 1ggx s ARG 17 N -2.26 0.05 -0.04 1.54 3.52 -0.65 -0.51 118.95 120.61 1ggx s ARG 17 Ca -0.08 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.73 1ggx s ARG 17 Cb -0.04 -0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.27 1ggx s ARG 17 CO -0.04 -0.08 -0.17 1.41 -0.81 0.00 0.00 175.30 175.61 1ggx s MET 18 N 0.53 1.78 -0.20 5.12 -2.45 0.18 -0.96 119.30 123.29 1ggx s MET 18 Ca -0.04 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 53.81 1ggx s MET 18 Cb -0.06 -1.54 0.03 0.00 1.25 0.00 0.00 34.83 34.51 1ggx s MET 18 CO -0.02 0.23 -0.16 -1.21 1.05 0.00 0.00 175.02 174.91 1ggx s GLU 19 N 0.06 2.84 0.25 4.11 2.02 -0.45 -0.48 118.70 127.06 1ggx s GLU 19 Ca -0.04 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 1ggx s GLU 19 Cb -0.12 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 1ggx s GLU 19 CO 0.02 -0.30 0.30 0.20 0.02 0.00 0.00 175.26 175.50 1ggx s GLY 20 N 1.26 1.34 -0.05 -1.39 0.00 -0.67 -1.35 107.32 106.46 1ggx s GLY 20 Ca 0.02 -1.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.14 1ggx s GLY 20 CO -0.10 -1.14 0.21 -0.51 0.00 0.00 0.00 173.10 171.55 1ggx s THR 21 N -3.83 0.03 -0.04 0.90 -4.23 -0.29 -1.29 115.64 106.89 1ggx s THR 21 Ca 0.34 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1ggx s THR 21 Cb 0.03 -0.37 0.03 0.00 1.34 0.00 0.00 72.50 73.53 1ggx s THR 21 CO 0.15 -0.12 0.07 -0.69 -0.54 0.00 0.00 174.62 173.49 1ggx s VAL 22 N -0.39 -0.11 -1.63 2.29 1.01 -0.09 -0.72 120.40 120.76 1ggx s VAL 22 Ca -0.05 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1ggx s VAL 22 Cb -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 36.38 36.30 1ggx s VAL 22 CO 0.01 0.16 0.63 0.59 0.00 0.00 0.00 175.10 176.48 1ggx n ASN 23 N 5.04 -2.16 0.00 3.32 4.13 -0.53 -0.17 115.26 124.90 1ggx n ASN 23 Ca -0.09 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.13 1ggx n ASN 23 Cb 0.50 -2.68 0.00 0.00 -1.54 0.00 0.00 39.78 36.06 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 -1.62 2.34 3.63 7.41 0.00 -1.26 -5.02 105.19 110.66 1ggx n GLY 24 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.44 3.29 0.22 1.61 5.04 0.76 -5.06 115.29 118.71 1ggx s HIS 25 Ca 0.00 0.87 -0.04 0.00 -1.54 0.00 0.00 55.06 54.35 1ggx s HIS 25 Cb 0.00 -2.87 -0.05 0.00 0.04 0.00 0.00 32.58 29.70 1ggx s HIS 25 CO 0.00 -0.34 0.46 -1.83 -2.34 0.00 0.00 174.74 170.69 1ggx s GLU 26 N 2.55 3.60 0.17 2.88 -1.05 -1.26 -0.91 118.70 124.68 1ggx s GLU 26 Ca 0.27 -0.12 -0.21 0.00 -0.15 0.00 0.00 54.97 54.76 1ggx s GLU 26 Cb -0.15 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 30.83 1ggx s GLU 26 CO 0.08 0.34 0.58 -0.59 0.95 0.00 0.00 175.26 176.62 1ggx s PHE 27 N -1.90 -0.41 -0.01 4.83 -0.71 -0.41 -4.32 117.98 115.06 1ggx s PHE 27 Ca 0.42 0.14 0.02 0.00 -1.04 0.00 0.00 56.93 56.47 1ggx s PHE 27 Cb -0.11 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1ggx s PHE 27 CO 0.28 -0.88 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.00 1ggx s GLU 28 N -3.79 0.63 -0.01 1.99 2.02 -0.10 -1.67 118.70 117.76 1ggx s GLU 28 Ca 0.03 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.83 1ggx s GLU 28 Cb -0.01 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.60 1ggx s GLU 28 CO -0.10 0.10 -0.10 0.42 0.02 0.00 0.00 175.26 175.61 1ggx s ILE 29 N 0.06 0.81 0.06 -1.63 1.01 0.36 -1.17 121.20 120.70 1ggx s ILE 29 Ca -0.00 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1ggx s ILE 29 Cb -0.05 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1ggx s ILE 29 CO -0.00 0.21 -0.17 -1.61 0.00 0.00 0.00 174.94 173.37 1ggx s GLU 30 N -0.28 1.04 0.32 2.79 2.02 -0.81 0.49 118.70 124.27 1ggx s GLU 30 Ca 0.04 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 53.99 1ggx s GLU 30 Cb -0.04 -1.11 0.05 0.00 0.10 0.00 0.00 34.13 33.13 1ggx s GLU 30 CO -0.00 0.27 0.72 0.41 0.02 0.00 0.00 175.26 176.68 1ggx n GLY 31 N 1.65 1.05 3.33 -1.39 0.00 0.34 -1.16 105.19 109.01 1ggx n GLY 31 Ca -0.19 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1ggx n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggx s GLU 32 N -2.07 0.61 0.18 1.61 -1.05 -0.74 -1.17 118.70 116.07 1ggx s GLU 32 Ca 0.15 0.36 0.02 0.00 -0.15 0.00 0.00 54.97 55.35 1ggx s GLU 32 Cb -0.04 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1ggx s GLU 32 CO 0.10 -0.12 0.19 0.41 0.95 0.00 0.00 175.26 176.78 1ggx n GLY 33 N 2.21 3.15 3.63 -3.83 0.00 0.49 -0.35 105.19 110.48 1ggx n GLY 33 Ca -0.16 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.63 1.19 0.00 1.61 -1.05 -0.10 -0.91 118.70 116.80 1ggx s GLU 34 Ca 0.20 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1ggx s GLU 34 Cb 0.01 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1ggx s GLU 34 CO 0.14 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1ggx n GLY 35 N -0.38 -1.23 2.92 -3.83 0.00 -0.18 0.44 105.19 102.93 1ggx n GLY 35 Ca -0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.15 1.60 0.33 1.61 0.52 0.74 -1.70 118.95 121.90 1ggx s ARG 36 Ca 0.00 -2.15 0.11 0.00 -0.52 0.00 0.00 55.73 53.18 1ggx s ARG 36 Cb 0.00 -3.02 1.00 0.00 0.52 0.00 0.00 34.95 33.45 1ggx s ARG 36 CO 0.00 -1.05 1.65 -1.35 0.02 0.00 0.00 175.30 174.57 1ggx h PRO 37 N 7.04 0.25 -0.00 3.54 0.11 -1.80 -0.28 132.00 140.86 1ggx h PRO 37 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ggx h PRO 37 Cb 0.95 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1ggx h PRO 37 CO 0.58 0.16 -0.27 0.66 -0.21 0.00 0.00 178.00 178.93 1ggx n TYR 38 N -5.13 0.00 0.48 0.65 4.01 -1.26 -3.87 117.16 112.04 1ggx n TYR 38 Ca 0.29 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 58.10 1ggx n TYR 38 Cb 0.93 -0.24 -0.09 0.00 -0.31 0.00 0.00 39.34 39.63 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 -1.15 1.83 -1.90 -0.72 1.02 -0.19 -4.71 120.64 114.82 1ggx n GLU 39 Ca 0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ggx n GLU 39 Cb 0.32 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 1.43 0.43 3.13 0.62 0.00 -0.76 -4.72 105.19 105.31 1ggx n GLY 40 Ca 0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 1.64 -0.16 1.61 3.76 -1.22 -1.26 115.29 117.66 1ggx s HIS 41 Ca 0.00 -0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 54.21 1ggx s HIS 41 Cb 0.00 -1.10 0.07 0.00 1.11 0.00 0.00 32.58 32.66 1ggx s HIS 41 CO 0.00 -0.14 0.66 0.54 -0.85 0.00 0.00 174.74 174.95 1ggx s ASN 42 N -0.03 -0.66 0.26 1.40 2.20 -0.95 -0.19 114.94 116.97 1ggx s ASN 42 Ca -0.02 1.05 0.08 0.00 -0.94 0.00 0.00 52.86 53.03 1ggx s ASN 42 Cb -0.10 1.00 -0.05 0.00 -2.00 0.00 0.00 41.25 40.09 1ggx s ASN 42 CO 0.02 -0.39 -0.12 0.42 -2.94 0.00 0.00 177.10 174.08 1ggx s THR 43 N -0.33 1.91 -0.13 0.54 -4.23 0.17 -1.45 115.64 112.11 1ggx s THR 43 Ca -0.05 -2.22 -0.18 0.00 -1.18 0.00 0.00 61.69 58.06 1ggx s THR 43 Cb -0.03 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.57 1ggx s THR 43 CO 0.05 -0.42 0.47 0.54 -0.54 0.00 0.00 174.62 174.72 1ggx s VAL 44 N -2.86 0.01 -0.15 2.29 0.11 -0.68 -0.93 120.40 118.20 1ggx s VAL 44 Ca 0.27 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1ggx s VAL 44 Cb 0.00 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1ggx s VAL 44 CO 0.11 -0.05 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.08 1ggx s LYS 45 N -0.22 2.91 0.22 1.54 1.02 0.52 -0.60 119.74 125.14 1ggx s LYS 45 Ca -0.04 -0.81 0.10 0.00 0.02 0.00 0.00 55.97 55.24 1ggx s LYS 45 Cb -0.03 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1ggx s LYS 45 CO 0.02 -0.08 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.76 1ggx s LEU 46 N 0.98 2.89 -0.05 3.17 2.01 0.16 -1.80 118.68 126.04 1ggx s LEU 46 Ca -0.03 -0.71 -0.02 0.00 0.01 0.00 0.00 54.13 53.37 1ggx s LEU 46 Cb -0.15 -1.51 0.03 0.00 0.01 0.00 0.00 46.19 44.58 1ggx s LEU 46 CO -0.05 0.07 0.09 -0.75 1.01 0.00 0.00 176.35 176.71 1ggx s LYS 47 N -3.15 -0.01 -0.59 1.70 2.20 -0.31 -1.58 119.74 118.00 1ggx s LYS 47 Ca 0.27 0.35 -0.28 0.00 -0.36 0.00 0.00 55.97 55.95 1ggx s LYS 47 Cb -0.07 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1ggx s LYS 47 CO 0.16 -0.24 1.35 0.08 -0.36 0.00 0.00 175.35 176.34 1ggx s VAL 48 N 1.61 3.83 -0.61 4.02 1.01 0.35 -1.93 120.40 128.68 1ggx s VAL 48 Ca -0.03 0.70 0.24 0.00 0.00 0.00 0.00 61.98 62.89 1ggx s VAL 48 Cb -0.12 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 31.83 1ggx s VAL 48 CO -0.04 -1.28 1.44 0.71 0.00 0.00 0.00 175.10 175.92 1ggx h THR 49 N 6.29 0.00 -2.54 3.92 1.35 -1.47 -3.44 112.91 117.03 1ggx h THR 49 Ca -0.26 -0.58 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 1ggx h THR 49 Cb 1.08 1.30 -0.24 0.00 -1.73 0.00 0.00 68.15 68.56 1ggx h THR 49 CO 1.19 0.00 -0.17 -0.75 -0.25 0.00 0.00 175.52 175.54 1ggx s LYS 50 N -3.17 0.53 0.00 4.72 2.20 -1.03 -4.91 119.74 118.08 1ggx s LYS 50 Ca 0.07 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1ggx s LYS 50 Cb 0.12 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1ggx s LYS 50 CO 0.69 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 1ggx n GLY 51 N 3.35 0.68 3.88 5.54 0.00 -1.26 -0.93 105.19 116.45 1ggx n GLY 51 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.99 2.08 0.27 -0.02 0.00 -1.26 -3.80 107.32 102.60 1ggx s GLY 52 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 1ggx s GLY 52 CO 0.00 -0.18 1.09 2.56 0.00 0.00 0.00 173.10 176.56 1ggx s PRO 53 N -3.29 4.66 0.33 2.90 0.04 -1.26 -5.10 135.00 133.28 1ggx s PRO 53 Ca 0.48 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1ggx s PRO 53 Cb -0.11 -3.20 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 1ggx s PRO 53 CO 0.26 0.23 1.44 -0.51 0.04 0.00 0.00 177.00 178.46 1ggx s LEU 54 N -1.36 4.36 -0.13 -3.56 1.43 -1.25 -4.90 118.68 113.27 1ggx s LEU 54 Ca 0.44 2.88 0.07 0.00 -1.03 0.00 0.00 54.13 56.49 1ggx s LEU 54 Cb -0.31 -3.65 0.41 0.00 0.03 0.00 0.00 46.19 42.67 1ggx s LEU 54 CO 0.40 -0.75 1.18 -0.81 0.23 0.00 0.00 176.35 176.59 1ggx n PRO 55 N 1.05 2.85 -4.02 1.29 -0.04 -1.26 -4.90 135.00 129.98 1ggx n PRO 55 Ca 0.02 -1.61 -0.10 0.00 -0.04 0.00 0.00 63.50 61.78 1ggx n PRO 55 Cb 0.40 -1.86 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.88 0.56 0.17 0.54 -0.12 -1.26 -4.67 117.98 111.32 1ggx s PHE 56 Ca 0.28 -0.90 -0.32 0.00 -0.05 0.00 0.00 56.93 55.94 1ggx s PHE 56 Cb 0.22 -0.14 -0.12 0.00 -0.63 0.00 0.00 43.02 42.35 1ggx s PHE 56 CO 0.08 -0.73 1.77 0.00 -0.05 0.00 0.00 175.22 176.29 1ggx n ALA 57 N -0.24 2.55 -0.01 1.99 0.00 0.11 -4.89 120.51 120.02 1ggx n ALA 57 Ca -0.05 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.79 1ggx n ALA 57 Cb 0.63 -2.55 0.40 0.00 0.00 0.00 0.00 19.45 17.94 1ggx n ALA 57 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ggx h TRP 58 N 7.47 0.54 -1.18 0.00 2.91 -1.96 -3.13 115.95 120.60 1ggx h TRP 58 Ca -0.44 0.00 0.34 0.00 1.13 0.00 0.00 58.89 59.92 1ggx h TRP 58 Cb 1.21 -0.18 -0.10 0.00 -0.51 0.00 0.00 29.16 29.59 1ggx h TRP 58 CO 0.70 0.36 0.78 -0.44 -1.03 0.00 0.00 178.44 178.81 1ggx h ASP 59 N 0.57 0.30 0.66 2.65 3.32 -1.95 0.24 116.42 122.20 1ggx h ASP 59 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ggx h ASP 59 Cb -0.01 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ggx h ASP 59 CO -0.03 -0.02 0.00 0.16 -1.72 0.00 0.00 179.24 177.64 1ggx h ILE 60 N 0.22 0.00 0.00 0.35 3.07 -1.95 -3.04 117.51 116.16 1ggx h ILE 60 Ca 0.67 -0.24 -0.18 0.00 1.55 0.00 0.00 64.86 66.67 1ggx h ILE 60 Cb 2.03 0.98 -0.03 0.00 -0.27 0.00 0.00 36.82 39.53 1ggx h ILE 60 CO -0.28 0.00 -2.03 0.18 -1.05 0.00 0.00 178.15 174.97 1ggx n LEU 61 N -2.39 0.16 -0.28 0.16 4.77 0.06 -4.59 117.00 114.90 1ggx n LEU 61 Ca 0.01 0.07 0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1ggx n LEU 61 Cb 0.21 0.21 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 1ggx n LEU 61 CO 0.20 0.22 1.08 0.77 -1.33 0.00 0.00 177.39 178.33 1ggx h SER 62 N 0.00 0.48 0.00 -1.43 4.64 -1.46 -0.98 113.55 114.80 1ggx h SER 62 Ca -0.25 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ggx h SER 62 Cb 1.60 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1ggx h SER 62 CO 0.02 0.21 0.00 -2.65 -0.87 0.00 0.00 176.83 173.54 1ggx n PRO 63 N -4.89 0.73 0.00 4.77 -0.02 -1.26 -2.42 135.00 131.91 1ggx n PRO 63 Ca 0.16 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1ggx n PRO 63 Cb 0.41 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.00 0.21 -1.80 -0.52 1.13 -0.37 -4.86 117.38 110.18 1ggx n GLN 64 Ca 0.17 -0.16 -0.37 0.00 -1.94 0.00 0.00 57.00 54.70 1ggx n GLN 64 Cb 0.08 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.25 2.75 0.00 1.08 0.99 -1.02 -5.00 117.46 115.02 1ggx n PHE 65 Ca 0.06 -2.30 0.00 0.00 -0.00 0.00 0.00 57.45 55.21 1ggx n PHE 65 Cb 0.35 -1.24 0.00 0.00 -1.00 0.00 0.00 39.48 37.60 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 -0.32 0.00 0.00 4.37 7.64 -1.26 -5.03 113.62 119.01 1ggx n SER 69 Ca 0.53 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.51 1ggx n SER 69 Cb 0.31 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.73 0.00 1.43 4.76 -1.26 -2.53 118.16 121.30 1ggx n LYS 70 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1ggx n LYS 70 Cb 0.00 -1.42 0.62 0.00 -1.84 0.00 0.00 35.03 32.40 1ggx n LYS 70 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ggx n VAL 71 N -0.92 0.04 -0.10 -0.18 3.14 -1.26 -2.85 118.33 116.21 1ggx n VAL 71 Ca 0.15 0.01 0.10 0.00 -2.96 0.00 0.00 64.34 61.63 1ggx n VAL 71 Cb 0.07 -0.52 0.29 0.00 -1.06 0.00 0.00 33.84 32.61 1ggx n VAL 71 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1ggx n TYR 72 N -1.48 0.97 -2.67 1.45 4.02 -1.05 -4.75 117.16 113.66 1ggx n TYR 72 Ca 0.08 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 57.09 1ggx n TYR 72 Cb 0.32 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 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 -1.33 4.74 0.05 -0.72 1.01 -1.13 -3.25 120.40 119.76 1ggx s VAL 73 Ca 0.43 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 64.10 1ggx s VAL 73 Cb 0.24 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ggx s VAL 73 CO 0.27 0.06 1.19 -0.75 0.00 0.00 0.00 175.10 175.86 1ggx s LYS 74 N 1.68 4.43 -0.01 2.72 2.20 -0.99 -4.79 119.74 124.98 1ggx s LYS 74 Ca 0.50 1.75 0.06 0.00 -0.36 0.00 0.00 55.97 57.92 1ggx s LYS 74 Cb -0.20 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1ggx s LYS 74 CO 0.22 -0.26 -0.21 -1.01 -0.36 0.00 0.00 175.35 173.73 1ggx s HIS 75 N 1.17 1.85 0.64 4.03 3.76 -1.26 0.01 115.29 125.50 1ggx s HIS 75 Ca 0.58 -0.35 -0.16 0.00 -0.15 0.00 0.00 55.06 54.98 1ggx s HIS 75 Cb -0.29 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 1ggx s HIS 75 CO 0.28 -0.03 1.15 -2.14 -0.85 0.00 0.00 174.74 173.15 1ggx s PRO 76 N -0.50 2.79 0.52 8.40 0.02 -1.26 -4.90 135.00 140.07 1ggx s PRO 76 Ca 0.08 1.56 0.23 0.00 0.02 0.00 0.00 61.00 62.89 1ggx s PRO 76 Cb -0.08 -1.93 1.34 0.00 0.02 0.00 0.00 34.50 33.85 1ggx s PRO 76 CO -0.01 -1.29 2.02 0.00 -0.33 0.00 0.00 177.00 177.39 1ggx h ALA 77 N 0.29 2.38 -0.02 -1.55 0.00 -2.00 -1.74 119.26 116.62 1ggx h ALA 77 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ggx h ALA 77 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ggx h ALA 77 CO 0.54 -0.51 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1ggx n ASP 78 N -4.41 0.57 -4.12 0.00 5.75 -1.26 -4.65 116.55 108.43 1ggx n ASP 78 Ca 0.08 -1.28 -0.33 0.00 -0.01 0.00 0.00 54.79 53.25 1ggx n ASP 78 Cb 0.51 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.98 2.49 0.07 2.12 1.01 -0.66 -5.04 121.20 119.21 1ggx s ILE 79 Ca 0.40 -1.47 -0.34 0.00 0.00 0.00 0.00 60.65 59.24 1ggx s ILE 79 Cb 0.20 -2.41 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 1ggx s ILE 79 CO 0.32 -0.01 1.66 -0.81 0.00 0.00 0.00 174.94 176.11 1ggx n PRO 80 N 4.52 2.10 -2.59 2.79 -0.04 -1.26 -4.61 135.00 135.91 1ggx n PRO 80 Ca -0.14 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.65 1ggx n PRO 80 Cb 0.43 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.41 5.04 -0.37 3.54 -0.08 -1.26 -4.32 116.55 123.52 1ggx n ASP 81 Ca 0.19 -3.01 0.03 0.00 -1.51 0.00 0.00 54.79 50.49 1ggx n ASP 81 Cb 0.28 -1.56 0.10 0.00 2.34 0.00 0.00 41.12 42.28 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 6.59 -0.74 -0.47 -0.67 3.20 -1.90 -0.88 116.97 122.10 1ggx h TYR 82 Ca 0.38 0.10 -0.06 0.00 3.14 0.00 0.00 58.73 62.29 1ggx h TYR 82 Cb 0.77 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1ggx h TYR 82 CO 1.22 -0.42 0.06 0.87 -1.64 0.00 0.00 178.16 178.25 1ggx h LYS 83 N -0.00 0.74 -0.04 1.82 1.57 -1.90 -2.16 116.57 116.60 1ggx h LYS 83 Ca 0.43 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 1ggx h LYS 83 Cb 0.68 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1ggx h LYS 83 CO -1.01 0.71 -0.86 0.87 -0.57 0.00 0.00 179.45 178.59 1ggx h LYS 84 N 0.71 0.48 0.00 3.15 1.57 -1.53 -3.18 116.57 117.77 1ggx h LYS 84 Ca 0.15 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1ggx h LYS 84 Cb 0.35 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ggx h LYS 84 CO 0.01 1.10 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.79 1ggx h LEU 85 N 0.30 0.00 -1.85 2.94 3.38 -0.96 -2.90 115.31 116.23 1ggx h LEU 85 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ggx h LEU 85 Cb 1.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 1ggx h LEU 85 CO 0.15 0.13 -0.03 0.77 0.09 0.00 0.00 178.44 179.55 1ggx h SER 86 N 0.00 0.00 -4.25 -0.43 4.64 -1.37 -3.44 113.55 108.70 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 0.47 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.64 1ggx h SER 86 CO 0.02 0.03 0.34 -0.36 -0.87 0.00 0.00 176.83 175.99 1ggx s PHE 87 N -3.84 3.23 0.32 4.77 0.08 -1.10 -1.47 117.98 119.97 1ggx s PHE 87 Ca -0.01 0.87 0.35 0.00 0.12 0.00 0.00 56.93 58.26 1ggx s PHE 87 Cb 0.10 -3.06 1.67 0.00 -0.57 0.00 0.00 43.02 41.17 1ggx s PHE 87 CO 0.52 -1.19 2.10 -1.00 -0.10 0.00 0.00 175.22 175.56 1ggx h PRO 88 N -0.59 0.00 -0.52 0.24 0.13 -1.88 -3.44 132.00 125.94 1ggx h PRO 88 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ggx h PRO 88 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ggx h PRO 88 CO 0.63 0.03 0.33 1.49 -0.23 0.00 0.00 178.00 180.26 1ggx h GLU 89 N 0.00 0.69 0.00 0.86 4.81 -1.92 -3.27 114.58 115.75 1ggx h GLU 89 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ggx h GLU 89 Cb 0.35 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ggx h GLU 89 CO 0.00 0.47 0.00 0.41 -0.73 0.00 0.00 179.01 179.16 1ggx n GLY 90 N -1.20 -1.25 3.38 1.92 0.00 -0.54 -4.42 105.19 103.08 1ggx n GLY 90 Ca 0.03 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 0.51 0.18 1.61 -0.71 -0.85 -1.70 117.98 117.03 1ggx s PHE 91 Ca 0.00 -0.85 0.11 0.00 -1.04 0.00 0.00 56.93 55.15 1ggx s PHE 91 Cb 0.00 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1ggx s PHE 91 CO 0.00 -0.78 -0.24 0.15 -1.34 0.00 0.00 175.22 173.01 1ggx s LYS 92 N -4.01 1.47 -0.01 1.99 1.02 0.62 -0.00 119.74 120.82 1ggx s LYS 92 Ca 0.22 -1.48 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 1ggx s LYS 92 Cb 0.03 -1.79 -0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1ggx s LYS 92 CO 0.04 0.39 0.04 1.67 -0.92 0.00 0.00 175.35 176.57 1ggx s TRP 93 N -1.61 0.04 0.24 3.18 1.48 -0.46 0.81 118.94 122.62 1ggx s TRP 93 Ca 0.19 -0.08 0.05 0.00 -1.06 0.00 0.00 56.10 55.20 1ggx s TRP 93 Cb -0.08 -0.05 -0.05 0.00 -1.16 0.00 0.00 33.47 32.13 1ggx s TRP 93 CO 0.09 -0.10 -0.05 -1.21 -4.06 0.00 0.00 176.95 171.61 1ggx s GLU 94 N -0.55 1.39 -0.01 3.25 2.02 -0.34 -0.25 118.70 124.22 1ggx s GLU 94 Ca -0.06 -1.68 -0.29 0.00 0.02 0.00 0.00 54.97 52.96 1ggx s GLU 94 Cb -0.04 -0.90 0.08 0.00 0.10 0.00 0.00 34.13 33.37 1ggx s GLU 94 CO -0.00 0.01 0.71 0.50 0.02 0.00 0.00 175.26 176.50 1ggx s ARG 95 N -3.77 1.05 -0.05 1.61 3.52 0.26 -1.34 118.95 120.22 1ggx s ARG 95 Ca 0.27 0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 1ggx s ARG 95 Cb 0.04 0.49 -0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1ggx s ARG 95 CO 0.09 -0.37 -0.19 0.08 -0.81 0.00 0.00 175.30 174.09 1ggx s VAL 96 N -1.92 1.62 -0.23 7.11 1.01 0.43 -0.73 120.40 127.68 1ggx s VAL 96 Ca -0.06 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1ggx s VAL 96 Cb -0.00 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 35.04 1ggx s VAL 96 CO 0.02 0.46 -0.12 -0.04 0.00 0.00 0.00 175.10 175.42 1ggx s MET 97 N 0.07 2.31 -0.42 2.72 -1.94 -0.09 -1.08 119.30 120.88 1ggx s MET 97 Ca -0.06 -1.13 -0.15 0.00 -1.71 0.00 0.00 55.69 52.64 1ggx s MET 97 Cb -0.13 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 34.02 1ggx s MET 97 CO 0.03 -0.47 0.32 -0.80 -0.01 0.00 0.00 175.02 174.10 1ggx s ASN 98 N 1.21 6.12 0.15 3.03 0.01 -0.21 -1.98 114.94 123.28 1ggx s ASN 98 Ca -0.05 -0.89 -0.21 0.00 -0.71 0.00 0.00 52.86 51.00 1ggx s ASN 98 Cb -0.18 -2.17 -0.08 0.00 0.41 0.00 0.00 41.25 39.24 1ggx s ASN 98 CO -0.07 -0.48 0.68 -0.36 -1.51 0.00 0.00 177.10 175.35 1ggx s PHE 99 N 1.74 3.78 0.65 2.20 0.40 -0.19 -0.99 117.98 125.57 1ggx s PHE 99 Ca 0.06 1.40 0.37 0.00 -0.60 0.00 0.00 56.93 58.16 1ggx s PHE 99 Cb -0.19 -2.61 2.04 0.00 0.51 0.00 0.00 43.02 42.78 1ggx s PHE 99 CO 0.10 0.48 2.20 1.05 0.70 0.00 0.00 175.22 179.76 1ggx h GLU 100 N 4.08 0.00 -0.57 0.44 4.11 -1.54 -1.79 114.58 119.32 1ggx h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1ggx h GLU 100 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ggx h GLU 100 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 1ggx n ASP 101 N -3.24 5.52 0.00 3.06 5.75 -1.26 -4.93 116.55 121.45 1ggx n ASP 101 Ca -0.02 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.88 1ggx n ASP 101 Cb 0.20 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 0.62 2.84 3.66 6.12 0.00 -0.67 -4.67 105.19 113.09 1ggx n GLY 102 Ca 0.27 0.00 -0.41 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 -0.88 0.22 2.86 -0.02 0.00 -1.13 -4.76 105.19 101.47 1ggx n GLY 103 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.22 -0.04 -0.01 1.61 1.01 -0.15 -1.02 120.40 120.59 1ggx s VAL 104 Ca 0.62 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1ggx s VAL 104 Cb -0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1ggx s VAL 104 CO 0.58 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 1ggx s VAL 105 N 0.79 1.00 0.01 2.92 1.01 -0.84 -0.86 120.40 124.43 1ggx s VAL 105 Ca -0.06 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1ggx s VAL 105 Cb -0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1ggx s VAL 105 CO -0.03 0.28 -0.23 0.42 0.00 0.00 0.00 175.10 175.54 1ggx s THR 106 N -0.30 1.83 0.01 3.92 -4.23 -0.83 -0.91 115.64 115.13 1ggx s THR 106 Ca 0.05 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1ggx s THR 106 Cb -0.05 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1ggx s THR 106 CO -0.00 0.42 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.71 1ggx s VAL 107 N -0.64 0.75 -0.02 2.29 1.01 0.09 -2.10 120.40 121.77 1ggx s VAL 107 Ca 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1ggx s VAL 107 Cb -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1ggx s VAL 107 CO 0.00 0.08 -0.08 0.28 0.00 0.00 0.00 175.10 175.38 1ggx s THR 108 N -0.48 0.69 0.01 3.92 -1.32 -0.84 -0.57 115.64 117.05 1ggx s THR 108 Ca 0.01 -0.31 -0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1ggx s THR 108 Cb -0.05 -0.63 -0.01 0.00 -1.51 0.00 0.00 72.50 70.31 1ggx s THR 108 CO 0.00 0.22 0.08 -1.58 -2.21 0.00 0.00 174.62 171.13 1ggx s GLN 109 N 0.25 0.45 -0.06 7.08 -0.44 0.65 -1.19 119.66 126.41 1ggx s GLN 109 Ca -0.04 -0.54 0.05 0.00 -2.50 0.00 0.00 55.36 52.34 1ggx s GLN 109 Cb -0.08 0.18 -0.00 0.00 -1.64 0.00 0.00 33.01 31.46 1ggx s GLN 109 CO 0.00 -0.10 -0.21 0.34 0.50 0.00 0.00 175.29 175.82 1ggx s ASP 110 N -1.56 2.63 -0.14 6.67 -1.08 -0.39 -1.36 116.67 121.45 1ggx s ASP 110 Ca -0.13 -0.44 0.02 0.00 -0.52 0.00 0.00 52.55 51.47 1ggx s ASP 110 Cb -0.07 -0.84 0.01 0.00 -1.46 0.00 0.00 42.92 40.56 1ggx s ASP 110 CO -0.00 0.18 -0.20 -0.44 0.52 0.00 0.00 175.17 175.23 1ggx s SER 111 N 0.05 2.93 0.24 -0.34 0.01 0.99 -2.03 113.70 115.56 1ggx s SER 111 Ca -0.07 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1ggx s SER 111 Cb -0.14 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 1ggx s SER 111 CO 0.04 0.05 0.07 -0.94 0.41 0.00 0.00 173.24 172.87 1ggx s SER 112 N 0.94 1.27 -0.13 2.44 1.04 -0.58 -2.00 113.70 116.69 1ggx s SER 112 Ca -0.05 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.07 1ggx s SER 112 Cb -0.15 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1ggx s SER 112 CO -0.03 -0.69 -0.21 -0.22 0.98 0.00 0.00 173.24 173.06 1ggx s LEU 113 N -3.30 2.05 -0.04 2.42 2.96 -1.23 0.29 118.68 121.84 1ggx s LEU 113 Ca 0.35 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1ggx s LEU 113 Cb 0.07 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.41 1ggx s LEU 113 CO 0.12 0.09 0.03 -1.58 -1.32 0.00 0.00 176.35 173.68 1ggx s GLN 114 N 0.73 0.19 -1.58 1.98 0.74 0.15 -4.84 119.66 117.03 1ggx s GLN 114 Ca -0.10 0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.38 1ggx s GLN 114 Cb -0.16 -0.56 0.10 0.00 1.10 0.00 0.00 33.01 33.49 1ggx s GLN 114 CO 0.00 -0.24 0.80 -0.25 -0.55 0.00 0.00 175.29 175.06 1ggx n ASP 115 N 4.76 -3.33 0.00 6.67 8.00 -1.26 -0.34 116.55 131.04 1ggx n ASP 115 Ca -0.15 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1ggx n ASP 115 Cb 0.50 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 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 -1.60 0.46 3.23 0.44 0.00 -1.26 -5.01 105.19 101.45 1ggx n GLY 116 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.16 3.64 -0.16 0.00 0.08 -0.72 0.33 117.98 120.99 1ggx s PHE 118 Ca -0.02 1.76 0.01 0.00 0.12 0.00 0.00 56.93 58.81 1ggx s PHE 118 Cb -0.12 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1ggx s PHE 118 CO 0.02 -0.19 -0.20 0.42 -0.10 0.00 0.00 175.22 175.18 1ggx s ILE 119 N -1.33 1.96 -0.13 0.64 -1.09 0.15 -1.26 121.20 120.13 1ggx s ILE 119 Ca 0.47 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1ggx s ILE 119 Cb -0.26 -1.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 1ggx s ILE 119 CO 0.33 0.53 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.14 1ggx s TYR 120 N 1.13 2.83 -0.12 3.97 2.02 0.41 -1.53 117.35 126.06 1ggx s TYR 120 Ca 0.00 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1ggx s TYR 120 Cb -0.14 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1ggx s TYR 120 CO -0.08 -0.18 -0.15 0.21 -1.57 0.00 0.00 175.55 173.77 1ggx s LYS 121 N 0.33 2.30 -0.00 -0.62 2.20 -0.86 -1.63 119.74 121.45 1ggx s LYS 121 Ca -0.10 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1ggx s LYS 121 Cb -0.16 -2.00 -0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1ggx s LYS 121 CO 0.05 -0.11 -0.19 0.08 -0.36 0.00 0.00 175.35 174.82 1ggx s VAL 122 N 1.13 1.47 -0.04 4.02 1.01 -0.13 -1.27 120.40 126.59 1ggx s VAL 122 Ca -0.03 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1ggx s VAL 122 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1ggx s VAL 122 CO -0.05 0.36 -0.20 -0.54 0.00 0.00 0.00 175.10 174.67 1ggx s LYS 123 N -0.57 2.01 -0.03 2.72 1.02 -0.33 -1.35 119.74 123.22 1ggx s LYS 123 Ca 0.07 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1ggx s LYS 123 Cb -0.07 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1ggx s LYS 123 CO -0.00 0.33 -0.01 0.12 -0.92 0.00 0.00 175.35 174.87 1ggx s PHE 124 N -0.13 0.37 -0.16 3.18 2.19 -0.46 -1.99 117.98 120.99 1ggx s PHE 124 Ca -0.01 -0.04 -0.01 0.00 0.33 0.00 0.00 56.93 57.20 1ggx s PHE 124 Cb -0.12 -0.42 0.05 0.00 -1.31 0.00 0.00 43.02 41.22 1ggx s PHE 124 CO 0.02 -0.12 -0.02 0.42 1.83 0.00 0.00 175.22 177.35 1ggx s ILE 125 N 0.87 0.86 -0.12 3.12 1.01 -0.89 -1.13 121.20 124.91 1ggx s ILE 125 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1ggx s ILE 125 Cb -0.12 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1ggx s ILE 125 CO -0.01 0.05 -0.16 -0.83 0.00 0.00 0.00 174.94 173.99 1ggx s GLY 126 N 1.74 1.49 0.20 6.18 0.00 0.10 -1.97 107.32 115.05 1ggx s GLY 126 Ca 0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1ggx s GLY 126 CO -0.07 -0.22 0.09 -1.34 0.00 0.00 0.00 173.10 171.56 1ggx s VAL 127 N 0.35 0.25 -1.46 1.40 -7.23 -0.04 -1.45 120.40 112.23 1ggx s VAL 127 Ca -0.13 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1ggx s VAL 127 Cb -0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1ggx s VAL 127 CO 0.06 -0.16 0.01 -3.20 -0.31 0.00 0.00 175.10 171.51 1ggx n ASN 128 N -0.28 -5.04 -4.68 4.85 5.15 -1.26 -0.98 115.26 113.02 1ggx n ASN 128 Ca -0.01 -0.02 -0.40 0.00 -0.60 0.00 0.00 54.58 53.55 1ggx n ASN 128 Cb 0.65 -4.13 -0.05 0.00 -0.53 0.00 0.00 39.78 35.73 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 -2.86 3.46 0.27 1.20 0.08 -1.26 -2.85 117.98 116.02 1ggx s PHE 129 Ca 0.01 1.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 1ggx s PHE 129 Cb -0.00 -2.83 -0.12 0.00 -0.57 0.00 0.00 43.02 39.49 1ggx s PHE 129 CO 0.01 -0.08 1.54 -2.30 -0.10 0.00 0.00 175.22 174.28 1ggx n PRO 130 N 4.60 2.48 0.27 0.24 -0.02 -1.26 -4.85 135.00 136.46 1ggx n PRO 130 Ca -0.00 0.88 0.18 0.00 -2.02 0.00 0.00 63.50 62.54 1ggx n PRO 130 Cb 0.50 -2.62 0.94 0.00 -0.02 0.00 0.00 33.50 32.29 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 4.64 0.00 -0.34 2.55 4.64 -1.97 -0.26 113.55 122.81 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ggx h SER 131 CO 0.78 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.84 1ggx n ASP 132 N -3.55 3.47 -4.48 4.97 5.75 -1.26 -4.49 116.55 116.96 1ggx n ASP 132 Ca -0.01 -2.45 -0.29 0.00 -0.01 0.00 0.00 54.79 52.03 1ggx n ASP 132 Cb 0.22 -0.39 0.14 0.00 -1.03 0.00 0.00 41.12 40.06 1ggx n ASP 132 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1ggx s GLY 133 N -1.37 1.72 0.45 6.12 0.00 -0.11 -4.84 107.32 109.29 1ggx s GLY 133 Ca 0.33 -1.07 0.14 0.00 0.00 0.00 0.00 44.72 44.12 1ggx s GLY 133 CO 0.14 -0.44 2.01 -2.55 0.00 0.00 0.00 173.10 172.26 1ggx h PRO 134 N -1.26 0.34 0.14 2.90 0.11 -1.95 -1.61 132.00 130.66 1ggx h PRO 134 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ggx h PRO 134 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ggx h PRO 134 CO 0.48 0.23 -0.07 0.28 -0.21 0.00 0.00 178.00 178.72 1ggx h VAL 135 N 0.35 0.95 0.00 3.15 2.07 -1.93 -0.06 116.25 120.78 1ggx h VAL 135 Ca 0.23 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1ggx h VAL 135 Cb 0.46 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1ggx h VAL 135 CO -0.06 0.25 0.00 0.23 0.02 0.00 0.00 177.57 178.01 1ggx n MET 136 N -4.90 0.12 0.00 1.57 2.81 -1.19 -0.71 117.12 114.81 1ggx n MET 136 Ca -0.08 0.18 0.10 0.00 -1.81 0.00 0.00 57.70 56.09 1ggx n MET 136 Cb 0.27 -1.66 0.04 0.00 -0.71 0.00 0.00 33.22 31.16 1ggx n MET 136 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ggx n GLN 137 N -1.87 1.64 -3.63 0.03 1.13 -0.61 -4.77 117.38 109.31 1ggx n GLN 137 Ca 0.05 -1.30 -0.24 0.00 -1.94 0.00 0.00 57.00 53.57 1ggx n GLN 137 Cb 0.32 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.34 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 0.53 -2.92 -0.31 -1.09 5.02 -0.68 -4.92 118.16 113.80 1ggx n LYS 138 Ca 0.10 0.59 0.09 0.00 -2.02 0.00 0.00 58.31 57.06 1ggx n LYS 138 Cb 0.45 -4.85 0.25 0.00 -0.02 0.00 0.00 35.03 30.85 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 -4.06 2.91 -3.50 1.97 4.76 -0.12 -4.99 118.16 115.12 1ggx n LYS 139 Ca -0.18 -2.41 -0.26 0.00 -2.87 0.00 0.00 58.31 52.58 1ggx n LYS 139 Cb 0.63 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 -1.16 5.13 -0.29 -0.18 -4.23 -1.26 -0.71 115.64 112.94 1ggx s THR 140 Ca 0.37 -0.33 0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1ggx s THR 140 Cb 0.20 -3.79 0.48 0.00 1.34 0.00 0.00 72.50 70.74 1ggx s THR 140 CO 0.23 -0.36 1.12 0.23 -0.54 0.00 0.00 174.62 175.30 1ggx n MET 141 N -1.18 2.43 0.00 3.99 2.81 0.26 -4.80 117.12 120.63 1ggx n MET 141 Ca -0.04 -3.78 0.00 0.00 -1.81 0.00 0.00 57.70 52.06 1ggx n MET 141 Cb 0.55 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.56 1.06 3.88 3.03 0.00 -1.26 -4.66 105.19 106.67 1ggx n GLY 142 Ca 0.22 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.86 3.44 0.59 1.61 0.52 -1.26 -1.29 118.94 119.70 1ggx s TRP 143 Ca 0.00 0.94 -0.09 0.00 0.02 0.00 0.00 56.10 56.96 1ggx s TRP 143 Cb 0.00 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1ggx s TRP 143 CO 0.00 0.08 0.97 -1.21 0.02 0.00 0.00 176.95 176.82 1ggx s GLU 144 N -3.38 3.49 0.57 4.98 0.41 -0.87 -4.83 118.70 119.06 1ggx s GLU 144 Ca 0.49 0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 55.41 1ggx s GLU 144 Cb -0.11 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1ggx s GLU 144 CO 0.26 -0.53 1.24 0.00 -0.49 0.00 0.00 175.26 175.74 1ggx s ALA 145 N -3.08 2.64 0.35 5.21 0.00 -1.26 -4.80 121.76 120.82 1ggx s ALA 145 Ca 0.53 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1ggx s ALA 145 Cb -0.11 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1ggx s ALA 145 CO 0.51 -1.17 0.08 -1.54 0.00 0.00 0.00 175.76 173.64 1ggx s SER 146 N -1.42 2.52 -0.10 0.00 1.04 0.83 -4.98 113.70 111.60 1ggx s SER 146 Ca 0.75 -1.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1ggx s SER 146 Cb -0.33 0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.94 1ggx s SER 146 CO 0.37 -0.71 0.05 -0.89 0.98 0.00 0.00 173.24 173.04 1ggx s THR 147 N -3.27 0.09 -0.08 2.02 2.01 -1.26 -1.70 115.64 113.45 1ggx s THR 147 Ca 0.32 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1ggx s THR 147 Cb 0.07 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1ggx s THR 147 CO 0.15 0.04 0.31 -0.70 -0.69 0.00 0.00 174.62 173.73 1ggx s GLU 148 N 2.08 3.89 -0.33 4.92 2.12 -0.08 -4.48 118.70 126.81 1ggx s GLU 148 Ca 0.04 0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.43 1ggx s GLU 148 Cb -0.14 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1ggx s GLU 148 CO -0.06 0.58 0.21 0.50 -0.54 0.00 0.00 175.26 175.96 1ggx s ARG 149 N -0.62 3.39 0.28 4.30 3.00 0.07 -1.66 118.95 127.72 1ggx s ARG 149 Ca 0.20 -0.70 0.10 0.00 -1.00 0.00 0.00 55.73 54.32 1ggx s ARG 149 Cb -0.14 -3.72 -0.05 0.00 0.00 0.00 0.00 34.95 31.04 1ggx s ARG 149 CO 0.08 -0.45 -0.04 -0.51 0.00 0.00 0.00 175.30 174.38 1ggx s LEU 150 N 1.67 3.05 -0.13 -0.88 1.02 0.40 -1.14 118.68 122.68 1ggx s LEU 150 Ca 0.05 -0.76 -0.30 0.00 0.02 0.00 0.00 54.13 53.14 1ggx s LEU 150 Cb -0.17 -1.56 0.12 0.00 0.02 0.00 0.00 46.19 44.60 1ggx s LEU 150 CO 0.09 -0.03 0.99 -0.72 0.02 0.00 0.00 176.35 176.70 1ggx s TYR 151 N -2.39 -0.35 0.29 0.29 1.13 -0.46 -1.86 117.35 114.00 1ggx s TYR 151 Ca 0.32 0.51 -0.19 0.00 -1.41 0.00 0.00 57.07 56.29 1ggx s TYR 151 Cb -0.05 0.47 -0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1ggx s TYR 151 CO 0.19 -0.38 0.79 -1.25 -2.51 0.00 0.00 175.55 172.39 1ggx s PRO 152 N -1.61 4.23 -0.28 -3.49 0.04 -1.26 -1.92 135.00 130.71 1ggx s PRO 152 Ca 0.00 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1ggx s PRO 152 Cb -0.01 -2.65 0.11 0.00 0.04 0.00 0.00 34.50 31.99 1ggx s PRO 152 CO -0.01 0.25 0.95 0.50 0.04 0.00 0.00 177.00 178.73 1ggx s ARG 153 N -2.43 0.59 -1.42 4.56 3.52 -0.39 -4.95 118.95 118.44 1ggx s ARG 153 Ca 0.50 0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 56.78 1ggx s ARG 153 Cb -0.14 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1ggx s ARG 153 CO 0.19 -0.07 0.08 -0.25 -0.81 0.00 0.00 175.30 174.44 1ggx n ASP 154 N 2.30 -4.94 0.00 -2.12 9.92 -1.26 -1.20 116.55 119.25 1ggx n ASP 154 Ca -0.13 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1ggx n ASP 154 Cb 0.56 -4.13 0.00 0.00 -0.64 0.00 0.00 41.12 36.91 1ggx n ASP 154 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ggx n GLY 155 N -0.98 0.81 2.91 0.44 0.00 -1.26 -4.99 105.19 102.12 1ggx n GLY 155 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 0.00 -4.44 1.61 0.24 -0.34 -4.90 118.33 108.36 1ggx n VAL 156 Ca 0.00 -2.01 -0.34 0.00 -2.04 0.00 0.00 64.34 59.96 1ggx n VAL 156 Cb 0.01 0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 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 3.23 0.15 1.34 2.96 -1.01 -1.26 118.68 124.09 1ggx s LEU 157 Ca 0.11 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1ggx s LEU 157 Cb 0.01 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1ggx s LEU 157 CO 0.08 0.20 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.60 1ggx s LYS 158 N 0.19 1.18 0.02 1.98 1.02 -0.81 0.29 119.74 123.61 1ggx s LYS 158 Ca -0.02 -1.34 -0.22 0.00 0.02 0.00 0.00 55.97 54.41 1ggx s LYS 158 Cb -0.14 -1.17 0.05 0.00 -0.52 0.00 0.00 37.83 36.05 1ggx s LYS 158 CO 0.03 0.23 0.49 0.20 -0.92 0.00 0.00 175.35 175.38 1ggx s GLY 159 N -2.57 -0.37 0.08 -3.33 0.00 -0.76 -1.36 107.32 99.00 1ggx s GLY 159 Ca 0.13 0.60 0.04 0.00 0.00 0.00 0.00 44.72 45.49 1ggx s GLY 159 CO 0.05 0.32 -0.12 -0.54 0.00 0.00 0.00 173.10 172.81 1ggx s GLU 160 N -2.06 0.79 -0.04 2.90 8.01 -0.30 -0.62 118.70 127.39 1ggx s GLU 160 Ca -0.08 -0.99 -0.06 0.00 0.01 0.00 0.00 54.97 53.85 1ggx s GLU 160 Cb -0.01 -0.67 0.01 0.00 -4.31 0.00 0.00 34.13 29.14 1ggx s GLU 160 CO 0.01 0.14 0.15 0.42 0.01 0.00 0.00 175.26 175.98 1ggx s ILE 161 N -1.64 0.02 -0.49 -1.63 1.01 -0.16 -0.75 121.20 117.56 1ggx s ILE 161 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 1ggx s ILE 161 Cb -0.08 -0.27 0.12 0.00 0.01 0.00 0.00 42.46 42.24 1ggx s ILE 161 CO 0.01 -0.09 0.39 -1.00 0.00 0.00 0.00 174.94 174.25 1ggx s HIS 162 N -0.27 3.35 0.37 3.97 3.76 -1.26 -0.11 115.29 125.11 1ggx s HIS 162 Ca -0.04 -1.62 0.08 0.00 -0.15 0.00 0.00 55.06 53.33 1ggx s HIS 162 Cb -0.03 -3.54 -0.02 0.00 1.11 0.00 0.00 32.58 30.10 1ggx s HIS 162 CO 0.00 -0.98 0.33 0.15 -0.85 0.00 0.00 174.74 173.39 1ggx s LYS 163 N 1.46 2.65 -0.10 1.40 1.02 -0.10 -4.80 119.74 121.26 1ggx s LYS 163 Ca 0.05 -1.39 -0.09 0.00 0.02 0.00 0.00 55.97 54.55 1ggx s LYS 163 Cb -0.27 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1ggx s LYS 163 CO 0.01 -0.02 0.28 0.00 -0.92 0.00 0.00 175.35 174.69 1ggx s ALA 164 N -2.37 -0.69 -0.16 5.17 0.00 -1.26 -1.46 121.76 120.99 1ggx s ALA 164 Ca 0.44 0.80 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1ggx s ALA 164 Cb -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1ggx s ALA 164 CO 0.27 -0.14 0.06 -0.51 0.00 0.00 0.00 175.76 175.45 1ggx s LEU 165 N 0.20 3.85 0.24 0.00 1.43 -0.01 -2.05 118.68 122.35 1ggx s LEU 165 Ca -0.00 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1ggx s LEU 165 Cb -0.02 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1ggx s LEU 165 CO -0.00 0.23 1.11 -0.54 0.23 0.00 0.00 176.35 177.38 1ggx s LYS 166 N 0.05 4.61 -0.02 1.70 1.02 -0.41 -0.27 119.74 126.42 1ggx s LYS 166 Ca 0.06 1.79 -0.05 0.00 0.02 0.00 0.00 55.97 57.79 1ggx s LYS 166 Cb -0.12 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1ggx s LYS 166 CO 0.01 0.14 0.21 -0.51 -0.92 0.00 0.00 175.35 174.28 1ggx s LEU 167 N -1.03 4.37 0.22 3.17 1.43 -0.60 0.89 118.68 127.14 1ggx s LEU 167 Ca 0.47 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1ggx s LEU 167 Cb -0.31 -2.54 0.17 0.00 0.03 0.00 0.00 46.19 43.53 1ggx s LEU 167 CO 0.39 0.28 1.79 0.11 0.23 0.00 0.00 176.35 179.16 1ggx h LYS 168 N 4.09 1.21 -0.40 1.70 1.57 -1.23 -2.02 116.57 121.50 1ggx h LYS 168 Ca -0.50 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 1ggx h LYS 168 Cb 1.20 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1ggx h LYS 168 CO 0.66 0.96 0.00 -0.25 -0.57 0.00 0.00 179.45 180.25 1ggx n ASP 169 N -4.28 1.90 0.00 0.86 8.00 -1.26 -5.00 116.55 116.76 1ggx n ASP 169 Ca 0.08 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1ggx n ASP 169 Cb 0.17 -0.27 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 0.87 2.29 3.28 0.44 0.00 -0.76 -5.12 105.19 106.19 1ggx n GLY 170 Ca 0.11 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 1.83 -2.27 3.46 -0.02 0.00 -1.26 -4.51 105.19 102.43 1ggx n GLY 171 Ca 0.00 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.48 2.12 -0.27 1.61 3.76 -1.26 -1.55 115.29 119.22 1ggx s HIS 172 Ca 0.00 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1ggx s HIS 172 Cb 0.00 -1.13 0.07 0.00 1.11 0.00 0.00 32.58 32.64 1ggx s HIS 172 CO 0.00 0.47 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.87 1ggx s TYR 173 N -2.78 2.87 0.20 1.40 5.04 0.63 -4.88 117.35 119.82 1ggx s TYR 173 Ca 0.29 -2.20 -0.30 0.00 -2.44 0.00 0.00 57.07 52.43 1ggx s TYR 173 Cb 0.01 -2.01 -0.08 0.00 0.35 0.00 0.00 41.96 40.23 1ggx s TYR 173 CO 0.13 -0.85 1.04 -0.51 -1.34 0.00 0.00 175.55 174.02 1ggx s LEU 174 N 1.23 4.54 -0.05 6.97 1.43 -1.26 -0.83 118.68 130.70 1ggx s LEU 174 Ca -0.01 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1ggx s LEU 174 Cb -0.19 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1ggx s LEU 174 CO -0.08 -0.09 0.11 -0.69 0.23 0.00 0.00 176.35 175.82 1ggx s VAL 175 N -0.58 -0.08 -0.19 -1.59 1.01 -0.54 -1.41 120.40 117.01 1ggx s VAL 175 Ca 0.46 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1ggx s VAL 175 Cb -0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1ggx s VAL 175 CO 0.35 0.10 0.20 -0.70 0.00 0.00 0.00 175.10 175.04 1ggx s GLU 176 N 1.36 4.19 -0.15 2.72 2.12 -0.16 -0.92 118.70 127.86 1ggx s GLU 176 Ca -0.07 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.08 1ggx s GLU 176 Cb -0.12 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1ggx s GLU 176 CO -0.05 0.23 0.11 -0.06 -0.54 0.00 0.00 175.26 174.95 1ggx s PHE 177 N 0.55 3.44 -0.17 5.30 0.40 0.85 -1.05 117.98 127.30 1ggx s PHE 177 Ca 0.11 0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.78 1ggx s PHE 177 Cb -0.12 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.44 1ggx s PHE 177 CO 0.01 0.47 0.00 0.15 0.70 0.00 0.00 175.22 176.56 1ggx s LYS 178 N -0.35 0.88 0.19 0.44 1.02 -0.24 -0.98 119.74 120.69 1ggx s LYS 178 Ca 0.11 -0.39 0.11 0.00 0.02 0.00 0.00 55.97 55.82 1ggx s LYS 178 Cb -0.12 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1ggx s LYS 178 CO 0.01 -0.53 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.57 1ggx s SER 179 N 1.80 3.56 -0.09 2.83 0.01 0.21 -0.43 113.70 121.59 1ggx s SER 179 Ca 0.00 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1ggx s SER 179 Cb -0.16 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.77 1ggx s SER 179 CO -0.07 0.12 -0.02 -0.63 0.41 0.00 0.00 173.24 173.05 1ggx s ILE 180 N -1.66 0.57 -0.27 1.44 1.09 -0.45 -1.82 121.20 120.10 1ggx s ILE 180 Ca 0.21 -0.04 -0.08 0.00 -1.10 0.00 0.00 60.65 59.65 1ggx s ILE 180 Cb -0.08 -0.71 -0.02 0.00 -1.06 0.00 0.00 42.46 40.59 1ggx s ILE 180 CO 0.11 0.26 0.08 -0.31 -0.10 0.00 0.00 174.94 174.98 1ggx s TYR 181 N 1.89 3.11 -0.33 3.97 2.02 0.14 -1.19 117.35 126.96 1ggx s TYR 181 Ca 0.05 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1ggx s TYR 181 Cb -0.13 -2.26 0.08 0.00 -0.40 0.00 0.00 41.96 39.26 1ggx s TYR 181 CO -0.06 -0.43 0.03 -1.64 -1.57 0.00 0.00 175.55 171.88 1ggx s MET 182 N 1.59 1.93 0.41 -0.62 -1.94 0.24 -2.42 119.30 118.49 1ggx s MET 182 Ca 0.05 -1.63 -0.26 0.00 -1.71 0.00 0.00 55.69 52.14 1ggx s MET 182 Cb -0.16 -3.20 -0.09 0.00 2.01 0.00 0.00 34.83 33.40 1ggx s MET 182 CO 0.04 -0.82 1.30 0.00 -0.01 0.00 0.00 175.02 175.52 1ggx s ALA 183 N 1.06 3.24 -0.10 3.03 0.00 -1.26 -0.28 121.76 127.44 1ggx s ALA 183 Ca 0.03 1.22 0.30 0.00 0.00 0.00 0.00 51.96 53.51 1ggx s ALA 183 Cb -0.20 -3.48 1.30 0.00 0.00 0.00 0.00 23.12 20.74 1ggx s ALA 183 CO -0.05 -0.83 1.88 0.87 0.00 0.00 0.00 175.76 177.63 1ggx h LYS 184 N 2.63 0.00 -4.13 0.00 1.57 -1.62 -3.41 116.57 111.60 1ggx h LYS 184 Ca -0.50 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.96 1ggx h LYS 184 Cb 1.25 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.26 1ggx h LYS 184 CO 0.62 0.00 -0.75 -1.59 -0.57 0.00 0.00 179.45 177.16 1ggx s LYS 185 N -3.56 0.41 -0.38 3.15 -2.85 -1.26 -5.09 119.74 110.15 1ggx s LYS 185 Ca 0.01 -0.12 -0.28 0.00 -1.00 0.00 0.00 55.97 54.59 1ggx s LYS 185 Cb 0.09 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.40 1ggx s LYS 185 CO 0.44 0.04 1.97 -1.25 0.10 0.00 0.00 175.35 176.65 1ggx s PRO 186 N 0.17 3.01 0.41 1.78 0.04 -1.26 -4.91 135.00 134.23 1ggx s PRO 186 Ca -0.02 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1ggx s PRO 186 Cb -0.05 -4.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 1ggx s PRO 186 CO -0.00 -2.25 0.31 0.14 0.04 0.00 0.00 177.00 175.24 1ggx s VAL 187 N 8.26 2.65 0.32 -0.36 -7.23 -1.26 -5.07 120.40 117.71 1ggx s VAL 187 Ca 0.84 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 1ggx s VAL 187 Cb -0.22 -3.01 -0.13 0.00 0.56 0.00 0.00 36.38 33.58 1ggx s VAL 187 CO 0.31 -0.02 1.18 0.00 -0.31 0.00 0.00 175.10 176.26 1ggx n GLN 188 N -1.44 1.82 -4.10 4.82 6.02 -1.26 -5.00 117.38 118.24 1ggx n GLN 188 Ca 0.02 0.64 -0.30 0.00 -0.01 0.00 0.00 57.00 57.35 1ggx n GLN 188 Cb 0.62 -2.14 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 1ggx n GLN 188 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ggx s LEU 189 N -0.41 3.62 0.00 1.08 1.43 -1.26 -4.20 118.68 118.94 1ggx s LEU 189 Ca 0.57 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1ggx s LEU 189 Cb -0.62 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.33 1ggx s LEU 189 CO 0.61 0.16 0.33 -0.81 0.23 0.00 0.00 176.35 176.88 1ggx n PRO 190 N 0.43 -0.02 0.00 1.29 -0.04 -1.26 -4.80 135.00 130.60 1ggx n PRO 190 Ca -0.10 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 1ggx n PRO 190 Cb 0.52 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 2.68 3.07 3.64 0.55 0.00 -1.26 -4.38 105.19 109.49 1ggx n GLY 191 Ca 0.05 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 2.19 2.37 0.36 1.61 5.04 -1.26 -4.36 117.35 123.30 1ggx s TYR 192 Ca 0.00 0.66 -0.08 0.00 -2.44 0.00 0.00 57.07 55.21 1ggx s TYR 192 Cb 0.00 -3.86 0.03 0.00 0.35 0.00 0.00 41.96 38.48 1ggx s TYR 192 CO 0.00 -2.53 0.62 2.48 -1.34 0.00 0.00 175.55 174.78 1ggx n TYR 193 N 7.70 -1.88 -4.30 4.97 4.11 -0.78 -4.83 117.16 122.15 1ggx n TYR 193 Ca 0.17 -1.99 -0.21 0.00 -0.00 0.00 0.00 57.90 55.87 1ggx n TYR 193 Cb 0.45 0.71 -0.11 0.00 -0.00 0.00 0.00 39.34 40.39 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 -2.78 1.67 -0.11 -3.48 1.51 -0.41 -0.45 117.35 113.29 1ggx s TYR 194 Ca 0.21 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1ggx s TYR 194 Cb -0.03 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1ggx s TYR 194 CO 0.15 0.26 -0.06 0.08 -1.11 0.00 0.00 175.55 174.86 1ggx s VAL 195 N -2.03 0.93 0.09 0.71 1.01 -0.66 -0.28 120.40 120.16 1ggx s VAL 195 Ca 0.13 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1ggx s VAL 195 Cb -0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 1ggx s VAL 195 CO 0.05 0.35 0.44 -1.81 0.00 0.00 0.00 175.10 174.13 1ggx s ASP 196 N 1.75 6.70 -0.04 3.32 1.01 0.13 -0.90 116.67 128.64 1ggx s ASP 196 Ca 0.05 0.88 -0.14 0.00 0.71 0.00 0.00 52.55 54.04 1ggx s ASP 196 Cb -0.12 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 41.62 1ggx s ASP 196 CO -0.08 0.17 0.31 -0.44 0.21 0.00 0.00 175.17 175.35 1ggx s SER 197 N -1.68 -0.22 -0.16 0.27 0.01 -0.69 -1.08 113.70 110.15 1ggx s SER 197 Ca 0.33 0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.75 1ggx s SER 197 Cb -0.14 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.54 1ggx s SER 197 CO 0.18 -0.38 0.16 -0.75 0.41 0.00 0.00 173.24 172.86 1ggx s LYS 198 N -1.04 0.10 -0.20 12.44 2.20 -0.41 -0.12 119.74 132.71 1ggx s LYS 198 Ca -0.11 0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.68 1ggx s LYS 198 Cb -0.05 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 1ggx s LYS 198 CO 0.03 -0.55 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.30 1ggx s LEU 199 N 2.26 3.26 -0.05 5.43 0.20 -1.26 -1.91 118.68 126.62 1ggx s LEU 199 Ca 0.04 -0.19 0.06 0.00 0.69 0.00 0.00 54.13 54.73 1ggx s LEU 199 Cb -0.15 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 1ggx s LEU 199 CO -0.09 0.07 -0.22 -1.81 -0.29 0.00 0.00 176.35 174.00 1ggx s ASP 200 N 0.97 3.32 -0.42 3.68 1.01 0.36 -4.53 116.67 121.06 1ggx s ASP 200 Ca 0.01 -0.42 -0.27 0.00 0.71 0.00 0.00 52.55 52.59 1ggx s ASP 200 Cb -0.14 -0.70 0.02 0.00 1.01 0.00 0.00 42.92 43.11 1ggx s ASP 200 CO 0.02 0.29 0.99 -0.63 0.21 0.00 0.00 175.17 176.05 1ggx s ILE 201 N -0.42 4.45 -0.84 0.77 -1.09 -1.26 -0.98 121.20 121.84 1ggx s ILE 201 Ca 0.04 1.11 0.24 0.00 -2.23 0.00 0.00 60.65 59.81 1ggx s ILE 201 Cb -0.12 -4.44 -0.03 0.00 -1.58 0.00 0.00 42.46 36.29 1ggx s ILE 201 CO 0.01 -0.74 1.27 0.35 -1.23 0.00 0.00 174.94 174.60 1ggx n THR 202 N 6.31 0.11 -3.53 2.92 -2.24 -0.04 -4.97 114.28 112.84 1ggx n THR 202 Ca 0.08 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1ggx n THR 202 Cb 0.48 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1ggx n THR 202 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ggx s SER 203 N -3.46 -0.39 -0.29 3.42 0.15 -1.10 -4.95 113.70 107.08 1ggx s SER 203 Ca 0.08 0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.68 1ggx s SER 203 Cb 0.16 0.36 0.19 0.00 -1.71 0.00 0.00 66.02 65.02 1ggx s SER 203 CO 0.74 -0.51 1.42 -1.38 1.20 0.00 0.00 173.24 174.71 1ggx s HIS 204 N -2.17 -0.04 0.86 3.44 -0.00 -1.26 -0.86 115.29 115.26 1ggx s HIS 204 Ca 0.01 0.08 -0.11 0.00 -0.00 0.00 0.00 55.06 55.05 1ggx s HIS 204 Cb -0.01 0.49 0.15 0.00 -0.00 0.00 0.00 32.58 33.22 1ggx s HIS 204 CO -0.03 -0.02 1.19 0.54 -0.00 0.00 0.00 174.74 176.41 1ggx s ASN 205 N -0.44 3.76 0.23 7.38 2.20 -0.80 -4.93 114.94 122.34 1ggx s ASN 205 Ca 0.08 0.18 -0.11 0.00 -0.94 0.00 0.00 52.86 52.08 1ggx s ASN 205 Cb -0.03 -0.43 0.33 0.00 -2.00 0.00 0.00 41.25 39.12 1ggx s ASN 205 CO -0.12 -2.30 1.62 -0.33 -2.94 0.00 0.00 177.10 173.02 1ggx h GLU 206 N -1.18 0.03 -0.66 3.55 5.08 -2.02 -2.47 114.58 116.90 1ggx h GLU 206 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ggx h GLU 206 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ggx h GLU 206 CO 0.44 0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.07 1ggx n ASP 207 N -5.44 4.71 -3.39 1.42 5.68 -1.26 -4.96 116.55 113.31 1ggx n ASP 207 Ca 0.11 -2.43 -0.24 0.00 -0.50 0.00 0.00 54.79 51.72 1ggx n ASP 207 Cb 0.40 -0.58 0.05 0.00 -1.14 0.00 0.00 41.12 39.85 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 1.14 -2.34 0.84 2.11 4.02 -0.93 -4.45 117.16 117.55 1ggx n TYR 208 Ca 0.26 0.75 0.11 0.00 -0.01 0.00 0.00 57.90 59.01 1ggx n TYR 208 Cb 0.88 -4.49 0.07 0.00 -0.02 0.00 0.00 39.34 35.79 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 0.06 -3.85 -0.72 -2.24 -1.26 -4.75 114.28 96.85 1ggx n THR 209 Ca -0.04 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 1ggx n THR 209 Cb 0.58 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 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 -3.07 0.38 0.00 2.28 1.01 -1.26 -0.49 121.20 120.04 1ggx s ILE 210 Ca 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 1ggx s ILE 210 Cb 0.16 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 1ggx s ILE 210 CO 0.78 0.24 0.08 -0.69 0.00 0.00 0.00 174.94 175.36 1ggx s VAL 211 N 1.71 0.08 -0.00 2.92 1.01 -0.61 -1.90 120.40 123.60 1ggx s VAL 211 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1ggx s VAL 211 Cb -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 1ggx s VAL 211 CO -0.04 -0.35 -0.16 -1.61 0.00 0.00 0.00 175.10 172.94 1ggx s GLU 212 N -1.15 1.28 0.09 2.72 2.02 -0.04 0.36 118.70 123.98 1ggx s GLU 212 Ca -0.12 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1ggx s GLU 212 Cb -0.07 -1.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 1ggx s GLU 212 CO 0.01 0.34 -0.10 -0.65 0.02 0.00 0.00 175.26 174.88 1ggx s GLN 213 N -0.50 0.82 -0.02 1.61 -0.21 0.23 -0.86 119.66 120.72 1ggx s GLN 213 Ca 0.06 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.31 1ggx s GLN 213 Cb -0.07 -0.48 0.01 0.00 1.00 0.00 0.00 33.01 33.48 1ggx s GLN 213 CO -0.00 0.07 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.72 1ggx s TYR 214 N -2.48 0.57 -0.03 0.91 5.04 -0.15 -1.68 117.35 119.54 1ggx s TYR 214 Ca 0.05 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1ggx s TYR 214 Cb -0.03 -0.47 0.01 0.00 0.35 0.00 0.00 41.96 41.83 1ggx s TYR 214 CO -0.00 -0.09 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.04 1ggx s GLU 215 N 0.41 0.89 -0.17 4.97 2.12 -0.53 -0.49 118.70 125.92 1ggx s GLU 215 Ca -0.05 -0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 1ggx s GLU 215 Cb -0.09 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.45 1ggx s GLU 215 CO -0.00 0.05 -0.12 0.50 -0.54 0.00 0.00 175.26 175.15 1ggx s ARG 216 N 0.41 3.31 -0.07 4.30 3.52 -0.80 -2.25 118.95 127.38 1ggx s ARG 216 Ca -0.06 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1ggx s ARG 216 Cb -0.10 -2.74 0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1ggx s ARG 216 CO 0.01 0.01 0.16 -0.08 -0.81 0.00 0.00 175.30 174.58 1ggx s THR 217 N 0.87 -0.04 -0.01 4.11 -1.32 -0.39 -1.29 115.64 117.57 1ggx s THR 217 Ca -0.03 0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ggx s THR 217 Cb -0.15 -0.25 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1ggx s THR 217 CO -0.00 0.06 0.03 -0.70 -2.21 0.00 0.00 174.62 171.80 1ggx s GLU 218 N 1.01 0.02 0.26 7.08 2.12 -0.24 -2.34 118.70 126.61 1ggx s GLU 218 Ca -0.08 0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.32 1ggx s GLU 218 Cb -0.10 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 1ggx s GLU 218 CO -0.05 -0.03 0.46 0.20 -0.54 0.00 0.00 175.26 175.30 1ggx s GLY 219 N 0.19 1.58 -0.09 -1.50 0.00 0.10 -0.69 107.32 106.90 1ggx s GLY 219 Ca -0.01 -0.87 -0.32 0.00 0.00 0.00 0.00 44.72 43.51 1ggx s GLY 219 CO -0.01 -0.82 1.27 1.09 0.00 0.00 0.00 173.10 174.63 1ggx s ARG 220 N -3.76 0.34 0.67 2.90 1.04 0.61 -4.36 118.95 116.39 1ggx s ARG 220 Ca 0.39 -0.17 -0.11 0.00 -1.04 0.00 0.00 55.73 54.80 1ggx s ARG 220 Cb -0.10 0.13 -0.01 0.00 -2.04 0.00 0.00 34.95 32.93 1ggx s ARG 220 CO 0.31 -0.16 1.05 -1.01 -0.04 0.00 0.00 175.30 175.46 1ggx s HIS 221 N -2.40 3.34 0.53 5.89 3.76 -1.26 -1.29 115.29 123.86 1ggx s HIS 221 Ca 0.12 1.33 -0.22 0.00 -0.15 0.00 0.00 55.06 56.15 1ggx s HIS 221 Cb 0.03 -2.83 -0.06 0.00 1.11 0.00 0.00 32.58 30.83 1ggx s HIS 221 CO -0.04 -1.01 1.26 1.58 -0.85 0.00 0.00 174.74 175.68 1ggx n HIS 222 N -2.97 1.97 0.00 1.40 -0.00 -1.26 -4.67 115.22 109.70 1ggx n HIS 222 Ca 0.07 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.70 1ggx n HIS 222 Cb 0.54 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 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 -0.70 0.00 -4.20 0.27 4.77 -1.26 -4.69 117.00 111.18 1ggx n LEU 223 Ca 0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 1ggx n LEU 223 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1ggx n LEU 223 CO 0.54 0.00 -0.37 0.49 -1.33 0.00 0.00 177.39 176.72 1ggx n PHE 224 N -0.46 -1.25 0.00 -1.77 3.01 -1.26 -5.33 117.46 110.41 1ggx n PHE 224 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1ggx n PHE 224 Cb 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 39.48 36.78 1ggx n PHE 224 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05