#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngx s LEU 2 N 0.00 4.15 -0.16 -1.84 0.20 -1.26 -5.04 118.68 114.73 1ngx s LEU 2 Ca 0.00 1.00 -0.13 0.00 0.69 0.00 0.00 54.13 55.69 1ngx s LEU 2 Cb 0.00 -3.08 -0.05 0.00 -0.43 0.00 0.00 46.19 42.64 1ngx s LEU 2 CO 0.00 -0.36 0.28 -0.69 -0.29 0.00 0.00 176.35 175.28 1ngx s VAL 3 N 2.16 5.31 -0.36 1.68 1.01 -1.26 -4.71 120.40 124.24 1ngx s VAL 3 Ca 0.34 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1ngx s VAL 3 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ngx s VAL 3 CO 0.11 0.41 0.18 -0.04 0.00 0.00 0.00 175.10 175.75 1ngx s MET 4 N 0.35 2.87 -0.41 2.72 -1.94 -1.26 -1.50 119.30 120.14 1ngx s MET 4 Ca 0.16 -1.04 -0.19 0.00 -1.71 0.00 0.00 55.69 52.92 1ngx s MET 4 Cb -0.13 -3.65 0.01 0.00 2.01 0.00 0.00 34.83 33.08 1ngx s MET 4 CO 0.04 -0.64 0.52 0.99 -0.01 0.00 0.00 175.02 175.91 1ngx s THR 5 N 1.53 4.99 -0.13 2.05 2.01 0.04 -4.08 115.64 122.05 1ngx s THR 5 Ca 0.02 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1ngx s THR 5 Cb -0.19 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1ngx s THR 5 CO 0.06 -0.42 0.10 -1.58 -0.69 0.00 0.00 174.62 172.10 1ngx s GLN 6 N 2.42 3.50 -0.04 4.92 0.74 -1.26 -0.58 119.66 129.36 1ngx s GLN 6 Ca 0.17 -0.21 -0.08 0.00 0.05 0.00 0.00 55.36 55.29 1ngx s GLN 6 Cb -0.16 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 30.82 1ngx s GLN 6 CO 0.15 0.66 0.18 -0.08 -0.55 0.00 0.00 175.29 175.65 1ngx s THR 7 N -0.69 0.04 0.74 -0.34 -1.32 -0.16 -4.62 115.64 109.29 1ngx s THR 7 Ca 0.13 -0.34 -0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1ngx s THR 7 Cb -0.12 -0.37 0.17 0.00 -1.51 0.00 0.00 72.50 70.66 1ngx s THR 7 CO 0.03 -0.19 1.01 -0.81 -2.21 0.00 0.00 174.62 172.45 1ngx n PRO 8 N 2.17 -0.84 -0.02 7.08 -0.04 -1.26 -1.15 135.00 140.95 1ngx n PRO 8 Ca -0.18 -1.72 -0.07 0.00 -0.04 0.00 0.00 63.50 61.50 1ngx n PRO 8 Cb 0.57 -0.98 -0.13 0.00 -0.04 0.00 0.00 33.50 32.91 1ngx n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ngx n LYS 9 N -3.09 0.63 -3.94 0.54 5.02 -1.26 -4.42 118.16 111.64 1ngx n LYS 9 Ca 0.13 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1ngx n LYS 9 Cb 0.46 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 1ngx n LYS 9 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1ngx s PHE 10 N -2.65 0.16 -0.12 2.13 2.19 -1.26 -1.19 117.98 117.23 1ngx s PHE 10 Ca -0.05 -0.25 -0.10 0.00 0.33 0.00 0.00 56.93 56.86 1ngx s PHE 10 Cb 0.08 -0.11 0.04 0.00 -1.31 0.00 0.00 43.02 41.72 1ngx s PHE 10 CO 0.82 -0.08 0.31 1.41 1.83 0.00 0.00 175.22 179.51 1ngx s MET 11 N -0.69 0.34 -0.21 10.12 1.75 0.36 -4.91 119.30 126.06 1ngx s MET 11 Ca -0.07 0.48 -0.00 0.00 -1.25 0.00 0.00 55.69 54.85 1ngx s MET 11 Cb -0.05 0.11 0.02 0.00 2.84 0.00 0.00 34.83 37.76 1ngx s MET 11 CO -0.00 -0.07 -0.13 -1.54 -0.65 0.00 0.00 175.02 172.62 1ngx s SER 12 N 0.45 3.78 -0.04 1.11 1.04 -1.26 0.31 113.70 119.09 1ngx s SER 12 Ca -0.02 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.67 1ngx s SER 12 Cb -0.04 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 1ngx s SER 12 CO -0.02 -0.06 -0.18 -0.89 0.98 0.00 0.00 173.24 173.07 1ngx s THR 13 N 1.30 1.46 0.51 2.02 2.01 -0.12 -4.78 115.64 118.03 1ngx s THR 13 Ca 0.02 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1ngx s THR 13 Cb -0.15 -1.24 -0.08 0.00 0.01 0.00 0.00 72.50 71.04 1ngx s THR 13 CO -0.08 0.42 0.98 -0.94 -0.69 0.00 0.00 174.62 174.30 1ngx s SER 14 N -0.08 6.61 0.28 3.53 1.04 -1.26 -0.24 113.70 123.58 1ngx s SER 14 Ca -0.01 1.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 1ngx s SER 14 Cb -0.11 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.40 1ngx s SER 14 CO 0.02 -0.59 1.62 1.33 0.98 0.00 0.00 173.24 176.60 1ngx n VAL 15 N -1.60 0.82 0.00 5.02 0.24 -1.26 -1.90 118.33 119.65 1ngx n VAL 15 Ca 0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1ngx n VAL 15 Cb 0.54 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1ngx n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngx n GLY 16 N 2.52 2.67 3.92 7.63 0.00 0.71 -4.90 105.19 117.74 1ngx n GLY 16 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1ngx n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ngx s ASP 17 N -1.28 4.86 -0.00 1.61 -0.00 -0.80 -3.95 116.67 117.11 1ngx s ASP 17 Ca 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 52.55 53.03 1ngx s ASP 17 Cb 0.00 -1.22 -0.05 0.00 -0.00 0.00 0.00 42.92 41.65 1ngx s ASP 17 CO 0.00 -1.59 0.28 -0.60 -0.00 0.00 0.00 175.17 173.26 1ngx s ARG 18 N -5.28 3.62 -0.11 8.23 3.52 -1.26 -1.32 118.95 126.34 1ngx s ARG 18 Ca 0.60 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1ngx s ARG 18 Cb -0.11 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1ngx s ARG 18 CO 0.46 0.66 -0.14 0.08 -0.81 0.00 0.00 175.30 175.55 1ngx s VAL 19 N -1.26 3.00 -0.13 7.11 1.01 0.22 -4.96 120.40 125.38 1ngx s VAL 19 Ca 0.26 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ngx s VAL 19 Cb -0.13 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ngx s VAL 19 CO 0.15 0.54 -0.07 -0.55 0.00 0.00 0.00 175.10 175.16 1ngx s SER 20 N 0.09 2.42 -0.04 3.32 0.15 -1.26 -0.42 113.70 117.96 1ngx s SER 20 Ca -0.06 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.22 1ngx s SER 20 Cb -0.15 -0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 1ngx s SER 20 CO 0.05 -0.13 -0.22 -0.63 1.20 0.00 0.00 173.24 173.51 1ngx s ILE 21 N 1.67 1.77 0.18 6.45 1.01 -0.21 -4.73 121.20 127.33 1ngx s ILE 21 Ca 0.04 -0.92 0.11 0.00 0.00 0.00 0.00 60.65 59.88 1ngx s ILE 21 Cb -0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1ngx s ILE 21 CO -0.08 0.50 -0.24 0.42 0.00 0.00 0.00 174.94 175.53 1ngx s THR 22 N -0.19 2.35 -0.04 2.92 -4.23 -0.30 -0.58 115.64 115.58 1ngx s THR 22 Ca -0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1ngx s THR 22 Cb -0.12 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.64 1ngx s THR 22 CO 0.02 -0.07 -0.01 0.00 -0.54 0.00 0.00 174.62 174.02 1ngx s LYS 24 N 1.16 3.35 0.05 0.00 2.47 0.25 -0.95 119.74 126.06 1ngx s LYS 24 Ca -0.08 -0.65 -0.20 0.00 -1.56 0.00 0.00 55.97 53.49 1ngx s LYS 24 Cb -0.14 -2.90 -0.06 0.00 -1.46 0.00 0.00 37.83 33.27 1ngx s LYS 24 CO -0.02 -0.11 0.58 0.00 0.16 0.00 0.00 175.35 175.96 1ngx s ALA 25 N 1.23 3.55 0.16 3.13 0.00 0.68 -0.78 121.76 129.74 1ngx s ALA 25 Ca 0.03 0.03 0.35 0.00 0.00 0.00 0.00 51.96 52.37 1ngx s ALA 25 Cb -0.14 -2.67 1.56 0.00 0.00 0.00 0.00 23.12 21.87 1ngx s ALA 25 CO -0.03 0.32 2.03 0.66 0.00 0.00 0.00 175.76 178.75 1ngx h SER 26 N 4.91 0.00 -5.18 0.00 4.64 -1.60 -3.44 113.55 112.88 1ngx h SER 26 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 1ngx h SER 26 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 1ngx h SER 26 CO 0.66 0.00 -0.61 -1.10 -0.87 0.00 0.00 176.83 174.91 1ngx s GLN 27 N -3.74 0.62 0.16 4.77 -0.21 -1.26 -5.00 119.66 115.00 1ngx s GLN 27 Ca -0.00 -1.06 -0.32 0.00 0.02 0.00 0.00 55.36 54.01 1ngx s GLN 27 Cb 0.10 0.23 -0.11 0.00 1.00 0.00 0.00 33.01 34.22 1ngx s GLN 27 CO 0.49 -0.14 1.79 -1.71 -2.12 0.00 0.00 175.29 173.60 1ngx n ASN 28 N 0.30 4.04 -0.09 5.90 5.15 -1.26 -4.75 115.26 124.56 1ngx n ASN 28 Ca -0.16 1.02 0.07 0.00 -0.60 0.00 0.00 54.58 54.91 1ngx n ASN 28 Cb 0.60 -1.56 0.09 0.00 -0.53 0.00 0.00 39.78 38.38 1ngx n ASN 28 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1ngx n VAL 29 N 4.38 1.47 0.00 3.44 0.24 -0.14 -4.99 118.33 122.73 1ngx n VAL 29 Ca 0.17 -1.72 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 1ngx n VAL 29 Cb 0.36 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1ngx n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngx n GLY 30 N -1.06 4.13 0.13 7.63 0.00 -1.25 -1.71 105.19 113.07 1ngx n GLY 30 Ca 0.10 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1ngx n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngx n THR 31 N 0.00 1.54 -1.52 2.61 -2.24 -1.26 -1.04 114.28 112.37 1ngx n THR 31 Ca 0.00 -1.84 -0.40 0.00 -2.27 0.00 0.00 64.05 59.54 1ngx n THR 31 Cb 0.00 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1ngx n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ngx n ALA 32 N -1.16 6.63 -2.67 6.98 0.00 -0.69 -2.05 120.51 127.55 1ngx n ALA 32 Ca 0.13 -3.70 -0.19 0.00 0.00 0.00 0.00 53.44 49.67 1ngx n ALA 32 Cb 0.63 -3.45 -0.14 0.00 0.00 0.00 0.00 19.45 16.50 1ngx n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngx s VAL 33 N 2.61 0.89 0.12 0.00 1.01 -1.26 -3.18 120.40 120.59 1ngx s VAL 33 Ca 0.59 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1ngx s VAL 33 Cb 0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ngx s VAL 33 CO -0.07 0.10 -0.13 0.00 0.00 0.00 0.00 175.10 174.99 1ngx s ALA 34 N -0.55 1.43 -0.04 5.51 0.00 -0.35 -0.01 121.76 127.74 1ngx s ALA 34 Ca 0.02 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1ngx s ALA 34 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1ngx s ALA 34 CO 0.00 0.07 -0.21 -1.58 0.00 0.00 0.00 175.76 174.05 1ngx s TRP 35 N -2.22 1.99 0.17 0.00 0.52 -0.24 -1.14 118.94 118.02 1ngx s TRP 35 Ca 0.08 -0.53 0.10 0.00 0.02 0.00 0.00 56.10 55.77 1ngx s TRP 35 Cb -0.04 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1ngx s TRP 35 CO 0.02 -0.15 -0.21 0.71 0.02 0.00 0.00 176.95 177.35 1ngx s TYR 36 N -0.16 2.00 -0.10 -1.98 1.51 0.52 -0.80 117.35 118.34 1ngx s TYR 36 Ca -0.01 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1ngx s TYR 36 Cb -0.11 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1ngx s TYR 36 CO 0.02 0.39 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.55 1ngx s GLN 37 N -2.69 2.22 -0.27 -0.62 0.74 -0.18 -1.70 119.66 117.16 1ngx s GLN 37 Ca 0.17 -0.57 0.02 0.00 0.05 0.00 0.00 55.36 55.03 1ngx s GLN 37 Cb -0.07 -1.86 0.07 0.00 1.10 0.00 0.00 33.01 32.26 1ngx s GLN 37 CO 0.08 -0.02 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.63 1ngx s GLN 38 N 0.87 1.58 0.46 1.67 0.74 0.72 -0.22 119.66 125.48 1ngx s GLN 38 Ca -0.09 -1.24 -0.12 0.00 0.05 0.00 0.00 55.36 53.96 1ngx s GLN 38 Cb -0.15 -2.69 -0.06 0.00 1.10 0.00 0.00 33.01 31.20 1ngx s GLN 38 CO 0.00 -0.71 0.86 0.15 -0.55 0.00 0.00 175.29 175.04 1ngx s LYS 39 N 1.27 3.80 0.07 1.67 1.02 -1.26 -1.52 119.74 124.78 1ngx s LYS 39 Ca -0.01 0.62 -0.37 0.00 0.02 0.00 0.00 55.97 56.23 1ngx s LYS 39 Cb -0.19 -2.28 -0.17 0.00 -0.52 0.00 0.00 37.83 34.67 1ngx s LYS 39 CO -0.09 -0.17 1.34 -0.35 -0.92 0.00 0.00 175.35 175.17 1ngx n PRO 40 N -1.58 1.09 -0.98 -1.68 -0.04 -1.26 -0.85 135.00 129.69 1ngx n PRO 40 Ca 0.04 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1ngx n PRO 40 Cb 0.54 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1ngx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ngx n GLY 41 N 2.54 0.26 3.61 0.55 0.00 -1.26 -4.99 105.19 105.90 1ngx n GLY 41 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1ngx n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ngx s GLN 42 N -1.00 1.94 0.44 1.61 -1.52 -0.03 -5.14 119.66 115.96 1ngx s GLN 42 Ca 0.00 -2.06 -0.04 0.00 -1.95 0.00 0.00 55.36 51.32 1ngx s GLN 42 Cb 0.00 -1.67 -0.04 0.00 -0.22 0.00 0.00 33.01 31.08 1ngx s GLN 42 CO 0.00 -0.01 0.72 -1.12 -0.25 0.00 0.00 175.29 174.63 1ngx s SER 43 N -3.70 6.27 0.48 5.90 0.01 -1.26 -4.60 113.70 116.80 1ngx s SER 43 Ca 0.35 0.80 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 1ngx s SER 43 Cb 0.08 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 1ngx s SER 43 CO 0.18 -0.50 1.36 -2.84 0.41 0.00 0.00 173.24 171.85 1ngx s PRO 44 N -4.62 3.51 -0.09 12.44 0.02 -1.26 -4.56 135.00 140.44 1ngx s PRO 44 Ca 0.45 2.26 0.04 0.00 0.02 0.00 0.00 61.00 63.77 1ngx s PRO 44 Cb -0.10 -2.49 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 1ngx s PRO 44 CO 0.42 -0.90 -0.23 0.21 -0.33 0.00 0.00 177.00 176.18 1ngx s LYS 45 N -2.62 2.92 -0.01 5.54 2.20 0.69 -4.93 119.74 123.53 1ngx s LYS 45 Ca 0.65 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 1ngx s LYS 45 Cb -0.40 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1ngx s LYS 45 CO 0.50 0.26 1.28 -1.17 -0.36 0.00 0.00 175.35 175.86 1ngx s LEU 46 N 0.15 4.31 -0.19 5.43 2.96 -1.26 -1.01 118.68 129.07 1ngx s LEU 46 Ca -0.12 1.97 -0.10 0.00 -0.22 0.00 0.00 54.13 55.65 1ngx s LEU 46 Cb -0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1ngx s LEU 46 CO 0.07 -0.62 -0.25 0.18 -1.32 0.00 0.00 176.35 174.40 1ngx n LEU 47 N 5.07 1.38 -4.10 -0.68 4.77 0.02 -4.76 117.00 118.70 1ngx n LEU 47 Ca 0.12 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 56.11 1ngx n LEU 47 Cb 0.45 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1ngx n LEU 47 CO 0.57 0.39 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.91 1ngx s ILE 48 N -2.36 1.14 0.16 -0.08 -1.09 -1.08 -1.15 121.20 116.74 1ngx s ILE 48 Ca -0.27 -0.60 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1ngx s ILE 48 Cb 0.10 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.98 1ngx s ILE 48 CO 0.34 0.33 -0.13 -0.72 -1.23 0.00 0.00 174.94 173.53 1ngx s TYR 49 N -0.20 1.47 -1.51 3.97 1.13 0.01 -1.07 117.35 121.15 1ngx s TYR 49 Ca 0.03 -0.62 -0.08 0.00 -1.41 0.00 0.00 57.07 54.99 1ngx s TYR 49 Cb -0.07 -0.73 0.06 0.00 -1.10 0.00 0.00 41.96 40.12 1ngx s TYR 49 CO 0.00 0.20 0.65 0.45 -2.51 0.00 0.00 175.55 174.34 1ngx n SER 50 N -0.01 -2.03 0.00 -0.18 2.88 -0.89 -1.35 113.62 112.04 1ngx n SER 50 Ca -0.11 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 1ngx n SER 50 Cb 0.59 -3.19 0.00 0.00 -0.75 0.00 0.00 64.21 60.86 1ngx n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ngx n ALA 51 N -4.43 0.00 -0.62 -1.46 0.00 0.98 -4.16 120.51 110.81 1ngx n ALA 51 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ngx n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1ngx n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngx n SER 52 N 0.94 0.48 -4.67 0.00 3.41 -1.20 -2.92 113.62 109.66 1ngx n SER 52 Ca 0.00 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 57.12 1ngx n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ngx n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ngx s ASN 53 N -0.10 6.56 0.03 4.04 -0.87 -0.46 -4.62 114.94 119.51 1ngx s ASN 53 Ca 0.00 0.67 -0.30 0.00 -1.57 0.00 0.00 52.86 51.66 1ngx s ASN 53 Cb 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 1ngx s ASN 53 CO 0.00 -0.15 1.01 -0.13 -2.57 0.00 0.00 177.10 175.26 1ngx s ARG 54 N 1.49 4.56 0.58 -0.60 0.52 -1.26 -0.81 118.95 123.43 1ngx s ARG 54 Ca 0.24 1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 56.73 1ngx s ARG 54 Cb -0.15 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 1ngx s ARG 54 CO 0.09 -0.04 1.17 -0.47 0.02 0.00 0.00 175.30 176.07 1ngx s TYR 55 N 0.87 2.51 0.17 -0.53 5.04 -0.30 -4.88 117.35 120.22 1ngx s TYR 55 Ca 0.52 1.53 -0.34 0.00 -2.44 0.00 0.00 57.07 56.35 1ngx s TYR 55 Cb -0.23 -3.39 -0.15 0.00 0.35 0.00 0.00 41.96 38.54 1ngx s TYR 55 CO 0.29 -1.94 1.35 2.41 -1.34 0.00 0.00 175.55 176.32 1ngx n THR 56 N -1.52 0.50 0.00 4.34 -1.04 -1.26 -1.74 114.28 113.56 1ngx n THR 56 Ca 0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ngx n THR 56 Cb 0.50 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1ngx n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ngx n GLY 57 N 2.47 3.09 3.70 3.41 0.00 -1.26 -5.03 105.19 111.56 1ngx n GLY 57 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ngx n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ngx s VAL 58 N -2.37 3.76 0.75 1.61 -7.23 -0.71 -4.98 120.40 111.23 1ngx s VAL 58 Ca 0.00 1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 61.22 1ngx s VAL 58 Cb 0.00 -3.77 0.05 0.00 0.56 0.00 0.00 36.38 33.22 1ngx s VAL 58 CO 0.00 0.04 1.22 -2.16 -0.31 0.00 0.00 175.10 173.88 1ngx s PRO 59 N 1.84 2.02 0.40 4.82 0.04 -1.26 -4.87 135.00 138.00 1ngx s PRO 59 Ca 0.62 1.79 0.27 0.00 0.04 0.00 0.00 61.00 63.72 1ngx s PRO 59 Cb -0.31 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 33.87 1ngx s PRO 59 CO 0.27 -1.93 1.82 0.38 0.04 0.00 0.00 177.00 177.58 1ngx h ASP 60 N -0.40 0.00 0.08 6.66 3.04 -2.01 -2.24 116.42 121.56 1ngx h ASP 60 Ca -0.48 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.31 1ngx h ASP 60 Cb 1.30 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1ngx h ASP 60 CO 0.49 0.00 -0.03 0.03 -2.04 0.00 0.00 179.24 177.69 1ngx h ARG 61 N 0.00 0.00 -5.09 4.15 3.08 -1.90 -3.39 114.38 111.23 1ngx h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1ngx h ARG 61 Cb 0.01 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1ngx h ARG 61 CO 0.00 0.03 -0.31 -0.06 -1.07 0.00 0.00 179.97 178.57 1ngx s PHE 62 N -4.60 3.24 -0.06 3.04 0.08 -0.85 -1.50 117.98 117.33 1ngx s PHE 62 Ca -0.05 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.36 1ngx s PHE 62 Cb 0.15 -2.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1ngx s PHE 62 CO 0.58 -0.21 -0.09 0.99 -0.10 0.00 0.00 175.22 176.39 1ngx s THR 63 N 1.98 0.89 -0.08 0.64 2.01 0.03 -4.94 115.64 116.17 1ngx s THR 63 Ca 0.13 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1ngx s THR 63 Cb -0.16 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1ngx s THR 63 CO 0.10 0.31 0.01 -0.83 -0.69 0.00 0.00 174.62 173.52 1ngx s GLY 64 N 0.90 1.88 0.18 4.40 0.00 -1.26 -0.41 107.32 113.01 1ngx s GLY 64 Ca -0.11 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 1ngx s GLY 64 CO 0.01 -0.58 0.32 -1.35 0.00 0.00 0.00 173.10 171.50 1ngx s SER 65 N -0.97 0.01 0.00 1.64 1.04 -0.21 -4.21 113.70 111.01 1ngx s SER 65 Ca 0.14 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1ngx s SER 65 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ngx s SER 65 CO 0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1ngx n GLY 66 N -0.26 2.39 3.51 7.32 0.00 -1.26 -1.15 105.19 115.75 1ngx n GLY 66 Ca -0.06 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 1ngx n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ngx s SER 67 N 0.00 -0.46 0.01 1.61 1.04 -1.15 -4.85 113.70 109.90 1ngx s SER 67 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1ngx s SER 67 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1ngx s SER 67 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1ngx n GLY 68 N -0.36 2.10 0.00 7.32 0.00 -0.21 -3.46 105.19 110.58 1ngx n GLY 68 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ngx n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngx n THR 69 N 0.00 0.00 -3.83 2.61 -2.24 -1.26 -0.97 114.28 108.60 1ngx n THR 69 Ca 0.00 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 1ngx n THR 69 Cb 0.00 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 1ngx n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ngx s ASP 70 N -1.28 4.81 0.14 3.42 1.01 -1.22 -0.23 116.67 123.32 1ngx s ASP 70 Ca 0.00 -0.63 0.09 0.00 0.71 0.00 0.00 52.55 52.73 1ngx s ASP 70 Cb 0.00 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 1ngx s ASP 70 CO 0.00 -0.13 -0.22 -0.36 0.21 0.00 0.00 175.17 174.67 1ngx s PHE 71 N 1.47 2.00 0.00 4.23 0.40 -0.13 -2.93 117.98 123.03 1ngx s PHE 71 Ca 0.03 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1ngx s PHE 71 Cb -0.16 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1ngx s PHE 71 CO 0.00 0.31 -0.01 0.99 0.70 0.00 0.00 175.22 177.21 1ngx s THR 72 N -1.39 0.06 -0.15 0.64 2.01 -0.30 -1.16 115.64 115.35 1ngx s THR 72 Ca 0.12 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1ngx s THR 72 Cb -0.09 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1ngx s THR 72 CO 0.06 -0.11 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.44 1ngx s LEU 73 N -0.36 2.12 -0.10 4.42 2.96 0.26 -1.04 118.68 126.94 1ngx s LEU 73 Ca -0.04 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1ngx s LEU 73 Cb -0.03 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1ngx s LEU 73 CO -0.00 0.06 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.00 1ngx s THR 74 N 0.91 2.43 -0.23 3.68 2.01 0.45 -1.04 115.64 123.85 1ngx s THR 74 Ca -0.05 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1ngx s THR 74 Cb -0.15 -1.95 0.05 0.00 0.01 0.00 0.00 72.50 70.45 1ngx s THR 74 CO -0.04 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.67 1ngx s ILE 75 N 0.19 2.14 0.29 1.82 1.01 0.44 -0.79 121.20 126.29 1ngx s ILE 75 Ca -0.12 -1.38 0.04 0.00 0.00 0.00 0.00 60.65 59.19 1ngx s ILE 75 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1ngx s ILE 75 CO 0.07 0.18 0.43 -0.94 0.00 0.00 0.00 174.94 174.68 1ngx s SER 76 N 1.17 6.26 -1.33 3.58 1.04 -0.56 0.68 113.70 124.55 1ngx s SER 76 Ca -0.04 0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1ngx s SER 76 Cb -0.17 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1ngx s SER 76 CO -0.08 -0.19 0.51 -3.20 0.98 0.00 0.00 173.24 171.26 1ngx n ASN 77 N -1.56 -1.97 -4.54 7.02 5.15 -1.19 -4.79 115.26 113.38 1ngx n ASN 77 Ca -0.07 -1.07 -0.54 0.00 -0.60 0.00 0.00 54.58 52.30 1ngx n ASN 77 Cb 0.57 -2.83 -0.06 0.00 -0.53 0.00 0.00 39.78 36.93 1ngx n ASN 77 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1ngx n MET 78 N -4.44 0.66 -4.11 1.20 0.00 -0.43 -4.48 117.12 105.52 1ngx n MET 78 Ca -0.23 0.24 -0.29 0.00 -0.00 0.00 0.00 57.70 57.42 1ngx n MET 78 Cb 0.65 -1.77 -0.07 0.00 0.00 0.00 0.00 33.22 32.03 1ngx n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ngx s GLN 79 N 0.10 2.70 0.53 2.12 -1.52 -1.26 -0.21 119.66 122.13 1ngx s GLN 79 Ca 0.84 -0.85 0.24 0.00 -1.95 0.00 0.00 55.36 53.64 1ngx s GLN 79 Cb -1.06 -2.59 1.39 0.00 -0.22 0.00 0.00 33.01 30.53 1ngx s GLN 79 CO 0.52 0.52 2.03 0.66 -0.25 0.00 0.00 175.29 178.77 1ngx h SER 80 N 3.03 0.00 0.48 5.90 4.64 -1.94 0.76 113.55 126.42 1ngx h SER 80 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngx h SER 80 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ngx h SER 80 CO 0.62 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.94 1ngx n GLU 81 N -4.37 0.53 0.00 4.77 4.71 -1.25 -3.54 120.64 121.49 1ngx n GLU 81 Ca 0.07 -0.04 0.15 0.00 -0.01 0.00 0.00 57.16 57.33 1ngx n GLU 81 Cb 0.50 -1.50 0.77 0.00 -1.01 0.00 0.00 31.44 30.20 1ngx n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ngx n ASP 82 N -1.20 0.27 -4.76 1.62 8.00 0.26 -4.87 116.55 115.87 1ngx n ASP 82 Ca 0.15 -0.72 -0.41 0.00 0.71 0.00 0.00 54.79 54.52 1ngx n ASP 82 Cb 0.23 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1ngx n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ngx s LEU 83 N -2.27 4.33 0.00 0.64 0.05 -1.23 -4.90 118.68 115.30 1ngx s LEU 83 Ca 0.37 3.00 0.00 0.00 0.05 0.00 0.00 54.13 57.55 1ngx s LEU 83 Cb 0.21 -3.65 0.00 0.00 -2.05 0.00 0.00 46.19 40.70 1ngx s LEU 83 CO 0.42 -0.90 0.00 0.00 -0.55 0.00 0.00 176.35 175.32 1ngx n ALA 84 N 1.38 0.00 -2.76 1.48 0.00 -1.02 -4.71 120.51 114.88 1ngx n ALA 84 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 1ngx n ALA 84 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 1ngx n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ngx s ASP 85 N -0.02 6.24 -0.10 0.00 -0.00 -0.58 -1.17 116.67 121.05 1ngx s ASP 85 Ca 0.00 0.28 0.02 0.00 -0.00 0.00 0.00 52.55 52.85 1ngx s ASP 85 Cb 0.00 -2.08 -0.02 0.00 -0.00 0.00 0.00 42.92 40.82 1ngx s ASP 85 CO 0.00 0.23 -0.15 -0.31 -0.00 0.00 0.00 175.17 174.94 1ngx s TYR 86 N 0.07 2.74 0.05 4.23 2.02 -0.12 -0.20 117.35 126.13 1ngx s TYR 86 Ca 0.09 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1ngx s TYR 86 Cb -0.11 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1ngx s TYR 86 CO -0.01 -0.10 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.70 1ngx s PHE 87 N -0.01 0.97 0.41 2.71 0.40 -0.69 -0.57 117.98 121.20 1ngx s PHE 87 Ca -0.04 -0.41 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1ngx s PHE 87 Cb -0.14 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1ngx s PHE 87 CO 0.04 -0.00 0.40 0.00 0.70 0.00 0.00 175.22 176.36 1ngx s GLN 89 N -4.15 0.75 0.00 0.00 0.74 -0.30 -1.35 119.66 115.34 1ngx s GLN 89 Ca 0.49 -0.03 0.10 0.00 0.05 0.00 0.00 55.36 55.97 1ngx s GLN 89 Cb -0.04 0.34 0.02 0.00 1.10 0.00 0.00 33.01 34.43 1ngx s GLN 89 CO 0.28 -0.21 0.68 0.00 -0.55 0.00 0.00 175.29 175.50 1ngx n GLN 90 N 1.31 1.56 -0.14 1.67 -0.00 -0.84 -1.22 117.38 119.72 1ngx n GLN 90 Ca -0.20 -0.76 0.00 0.00 -0.00 0.00 0.00 57.00 56.04 1ngx n GLN 90 Cb 0.56 -1.11 0.00 0.00 -0.00 0.00 0.00 30.24 29.69 1ngx n GLN 90 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ngx n TYR 91 N 0.01 0.00 -0.08 2.61 0.18 -1.19 -4.33 117.16 114.36 1ngx n TYR 91 Ca 0.05 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 1ngx n TYR 91 Cb 0.22 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.06 1ngx n TYR 91 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1ngx n SER 92 N 0.00 2.00 -4.50 9.48 2.88 -1.26 -4.95 113.62 117.27 1ngx n SER 92 Ca 0.00 0.19 -0.31 0.00 -1.33 0.00 0.00 58.87 57.42 1ngx n SER 92 Cb 0.00 -0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 62.57 1ngx n SER 92 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ngx s SER 93 N -6.96 4.09 -0.07 -3.46 0.15 -1.26 -5.12 113.70 101.07 1ngx s SER 93 Ca -0.30 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 1ngx s SER 93 Cb 0.09 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 1ngx s SER 93 CO 0.64 0.28 0.27 -0.31 1.20 0.00 0.00 173.24 175.31 1ngx s TYR 94 N -0.92 3.64 0.57 3.44 2.02 -1.26 -3.39 117.35 121.46 1ngx s TYR 94 Ca 0.15 0.73 -0.17 0.00 -0.37 0.00 0.00 57.07 57.41 1ngx s TYR 94 Cb -0.11 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1ngx s TYR 94 CO 0.05 0.65 1.06 -1.25 -1.57 0.00 0.00 175.55 174.50 1ngx s PRO 95 N -0.91 3.38 0.35 -1.71 0.04 -1.26 -4.89 135.00 130.00 1ngx s PRO 95 Ca 0.19 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1ngx s PRO 95 Cb -0.14 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1ngx s PRO 95 CO 0.08 -0.77 1.40 -0.51 0.04 0.00 0.00 177.00 177.24 1ngx s LEU 96 N -4.27 4.37 0.13 -3.56 1.02 -1.22 -4.69 118.68 110.46 1ngx s LEU 96 Ca 0.65 2.88 0.05 0.00 0.02 0.00 0.00 54.13 57.73 1ngx s LEU 96 Cb -0.17 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.34 1ngx s LEU 96 CO 0.33 -0.72 -0.11 0.42 0.02 0.00 0.00 176.35 176.29 1ngx s THR 97 N -1.10 1.13 0.19 5.49 -4.23 -1.26 -5.01 115.64 110.86 1ngx s THR 97 Ca 0.51 -1.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1ngx s THR 97 Cb -0.43 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1ngx s THR 97 CO 0.58 -0.61 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.46 1ngx s PHE 98 N -2.76 2.26 0.78 3.99 0.08 -1.26 -1.99 117.98 119.07 1ngx s PHE 98 Ca 0.11 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 1ngx s PHE 98 Cb -0.01 -1.11 0.06 0.00 -0.57 0.00 0.00 43.02 41.39 1ngx s PHE 98 CO 0.01 0.49 1.10 0.20 -0.10 0.00 0.00 175.22 176.92 1ngx s GLY 99 N -2.70 1.62 0.36 4.36 0.00 -0.46 -4.51 107.32 106.00 1ngx s GLY 99 Ca 0.21 -0.27 0.27 0.00 0.00 0.00 0.00 44.72 44.92 1ngx s GLY 99 CO 0.10 0.15 1.81 -1.33 0.00 0.00 0.00 173.10 173.83 1ngx h GLY 100 N -1.00 0.00 0.00 0.20 0.00 -1.88 -3.42 103.07 96.97 1ngx h GLY 100 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ngx h GLY 100 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1ngx n GLY 101 N -0.12 1.32 2.92 4.60 0.00 -1.26 -5.03 105.19 107.62 1ngx n GLY 101 Ca 0.01 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 1ngx n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngx s THR 102 N -2.66 0.95 -0.34 2.61 2.01 0.26 -4.56 115.64 113.90 1ngx s THR 102 Ca 0.00 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.53 1ngx s THR 102 Cb 0.00 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 1ngx s THR 102 CO 0.00 0.34 0.56 -0.75 -0.69 0.00 0.00 174.62 174.08 1ngx s LYS 103 N 1.39 3.69 -0.29 4.92 2.20 -0.33 -0.94 119.74 130.38 1ngx s LYS 103 Ca -0.01 -0.02 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 1ngx s LYS 103 Cb -0.13 -3.79 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1ngx s LYS 103 CO -0.04 -0.64 0.16 0.08 -0.36 0.00 0.00 175.35 174.55 1ngx s VAL 104 N 2.50 4.96 0.18 4.02 1.01 -0.31 -0.49 120.40 132.27 1ngx s VAL 104 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1ngx s VAL 104 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1ngx s VAL 104 CO 0.13 0.21 0.07 -0.70 0.00 0.00 0.00 175.10 174.82 1ngx s GLU 105 N 1.70 2.66 -0.11 2.72 2.12 0.15 -2.42 118.70 125.51 1ngx s GLU 105 Ca 0.06 -1.00 -0.19 0.00 0.36 0.00 0.00 54.97 54.20 1ngx s GLU 105 Cb -0.16 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 1ngx s GLU 105 CO 0.08 0.46 0.53 0.42 -0.54 0.00 0.00 175.26 176.21 1ngx s ILE 106 N -1.77 5.16 -0.22 -3.70 -1.09 -1.26 -0.95 121.20 117.36 1ngx s ILE 106 Ca 0.29 1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 59.64 1ngx s ILE 106 Cb -0.09 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1ngx s ILE 106 CO 0.21 0.30 0.29 -0.75 -1.23 0.00 0.00 174.94 173.76 1ngx s LYS 107 N 0.71 4.13 0.39 2.79 2.20 0.67 -4.80 119.74 125.82 1ngx s LYS 107 Ca 0.28 -0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.93 1ngx s LYS 107 Cb -0.16 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1ngx s LYS 107 CO 0.12 0.01 0.20 -0.98 -0.36 0.00 0.00 175.35 174.34 1ngx s ARG 108 N 1.18 1.92 0.67 4.03 1.70 -1.26 -4.10 118.95 123.09 1ngx s ARG 108 Ca 0.14 -2.17 -0.16 0.00 -0.47 0.00 0.00 55.73 53.07 1ngx s ARG 108 Cb -0.14 -0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.02 1ngx s ARG 108 CO 0.06 -0.59 1.18 0.95 -1.08 0.00 0.00 175.30 175.83 1ngx s THR 109 N -3.26 2.63 0.29 4.99 -4.23 -1.26 -4.92 115.64 109.89 1ngx s THR 109 Ca 0.29 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.83 1ngx s THR 109 Cb 0.02 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.79 1ngx s THR 109 CO 0.20 -0.15 1.56 0.68 -0.54 0.00 0.00 174.62 176.38 1ngx s VAL 110 N -1.94 2.16 -0.07 2.29 -7.23 -1.26 -4.84 120.40 109.50 1ngx s VAL 110 Ca 0.74 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 61.03 1ngx s VAL 110 Cb -0.27 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.61 1ngx s VAL 110 CO 0.40 0.02 -0.00 0.00 -0.31 0.00 0.00 175.10 175.21 1ngx s ALA 111 N -0.10 0.73 0.54 1.32 0.00 -0.27 -4.97 121.76 119.01 1ngx s ALA 111 Ca 0.62 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 1ngx s ALA 111 Cb -0.47 -0.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1ngx s ALA 111 CO 0.48 -0.45 1.02 0.00 0.00 0.00 0.00 175.76 176.82 1ngx s ALA 112 N 1.95 2.89 0.44 0.00 0.00 -1.26 -1.14 121.76 124.63 1ngx s ALA 112 Ca 0.05 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 1ngx s ALA 112 Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1ngx s ALA 112 CO -0.05 -0.47 0.94 -1.25 0.00 0.00 0.00 175.76 174.92 1ngx s PRO 113 N -3.84 4.14 -0.23 0.00 0.04 -1.26 -4.56 135.00 129.29 1ngx s PRO 113 Ca 0.63 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 1ngx s PRO 113 Cb -0.14 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1ngx s PRO 113 CO 0.30 -0.07 0.37 0.45 0.04 0.00 0.00 177.00 178.09 1ngx s SER 114 N -2.40 6.34 -0.11 6.66 0.15 -0.68 -4.82 113.70 118.84 1ngx s SER 114 Ca 0.60 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.61 1ngx s SER 114 Cb -0.09 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1ngx s SER 114 CO 0.18 -0.10 0.07 -0.69 1.20 0.00 0.00 173.24 173.89 1ngx s VAL 115 N 1.54 4.86 0.01 4.45 1.01 -1.26 -0.62 120.40 130.39 1ngx s VAL 115 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ngx s VAL 115 Cb -0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1ngx s VAL 115 CO 0.08 0.59 -0.03 -0.36 0.00 0.00 0.00 175.10 175.38 1ngx s PHE 116 N -0.75 0.29 -0.01 5.22 0.40 -0.43 -4.99 117.98 117.70 1ngx s PHE 116 Ca 0.12 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.35 1ngx s PHE 116 Cb -0.12 -0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 1ngx s PHE 116 CO 0.03 -0.04 -0.24 -1.50 0.70 0.00 0.00 175.22 174.17 1ngx s ILE 117 N -0.46 1.87 -0.12 0.64 2.07 -1.26 -0.22 121.20 123.71 1ngx s ILE 117 Ca -0.03 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 1ngx s ILE 117 Cb -0.04 -1.55 0.01 0.00 0.13 0.00 0.00 42.46 41.01 1ngx s ILE 117 CO -0.00 0.50 -0.17 -0.36 -1.91 0.00 0.00 174.94 173.00 1ngx s PHE 118 N -0.58 2.19 0.73 3.50 0.08 0.13 -5.00 117.98 119.03 1ngx s PHE 118 Ca 0.09 -1.09 -0.11 0.00 0.12 0.00 0.00 56.93 55.94 1ngx s PHE 118 Cb -0.09 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1ngx s PHE 118 CO -0.01 -0.55 1.07 -2.14 -0.10 0.00 0.00 175.22 173.50 1ngx s PRO 119 N 1.02 2.68 0.55 0.24 0.02 -1.26 -2.05 135.00 136.19 1ngx s PRO 119 Ca -0.05 0.77 -0.18 0.00 0.02 0.00 0.00 61.00 61.55 1ngx s PRO 119 Cb -0.15 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 1ngx s PRO 119 CO -0.03 -1.24 1.09 -1.25 -0.33 0.00 0.00 177.00 175.24 1ngx s PRO 120 N -5.13 3.41 0.53 5.54 0.04 -1.23 -4.85 135.00 133.31 1ngx s PRO 120 Ca 0.59 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1ngx s PRO 120 Cb -0.14 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1ngx s PRO 120 CO 0.54 -0.77 1.00 -1.54 0.04 0.00 0.00 177.00 176.28 1ngx s SER 121 N -2.11 6.46 0.39 6.66 1.04 -1.26 -4.94 113.70 119.95 1ngx s SER 121 Ca 0.69 1.62 0.08 0.00 0.48 0.00 0.00 55.95 58.82 1ngx s SER 121 Cb -0.20 -2.51 0.78 0.00 0.10 0.00 0.00 66.02 64.19 1ngx s SER 121 CO 0.28 -0.70 1.94 0.44 0.98 0.00 0.00 173.24 176.19 1ngx h ASP 122 N 0.82 0.31 -0.38 7.02 3.45 -1.95 -1.93 116.42 123.76 1ngx h ASP 122 Ca -0.47 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 56.93 1ngx h ASP 122 Cb 1.19 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 1ngx h ASP 122 CO 0.61 0.39 0.21 -0.08 -1.57 0.00 0.00 179.24 178.80 1ngx h GLU 123 N 0.33 0.53 -0.26 3.56 4.81 -1.99 -1.71 114.58 119.85 1ngx h GLU 123 Ca 0.07 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1ngx h GLU 123 Cb 0.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ngx h GLU 123 CO 0.01 0.44 -0.03 0.37 -0.73 0.00 0.00 179.01 179.07 1ngx h GLN 124 N 0.49 0.49 -0.98 1.92 4.15 -1.77 -2.91 115.11 116.50 1ngx h GLN 124 Ca 0.13 -0.17 0.18 0.00 0.77 0.00 0.00 58.65 59.56 1ngx h GLN 124 Cb 0.06 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.63 1ngx h GLN 124 CO -0.02 0.68 0.61 -0.07 -1.93 0.00 0.00 178.83 178.10 1ngx h LEU 125 N 0.25 0.73 -2.42 -2.39 3.38 -1.15 0.49 115.31 114.19 1ngx h LEU 125 Ca 0.07 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ngx h LEU 125 Cb 0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ngx h LEU 125 CO 0.02 0.30 -0.02 0.11 0.09 0.00 0.00 178.44 178.94 1ngx h LYS 126 N 0.73 0.00 -0.00 1.13 1.57 -1.11 -0.44 116.57 118.45 1ngx h LYS 126 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ngx h LYS 126 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1ngx h LYS 126 CO -0.31 0.02 -0.26 -1.13 -0.57 0.00 0.00 179.45 177.20 1ngx n SER 127 N -3.22 0.56 0.00 0.86 3.41 0.17 -4.94 113.62 110.47 1ngx n SER 127 Ca -0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1ngx n SER 127 Cb 0.15 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ngx n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 128 N 1.39 0.78 3.14 5.00 0.00 -0.17 -5.07 105.19 110.27 1ngx n GLY 128 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1ngx n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngx s THR 129 N -2.00 0.84 -0.13 2.61 2.01 -1.23 -1.46 115.64 116.28 1ngx s THR 129 Ca 0.00 -1.47 -0.01 0.00 0.31 0.00 0.00 61.69 60.52 1ngx s THR 129 Cb 0.00 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1ngx s THR 129 CO 0.00 -0.49 -0.06 0.00 -0.69 0.00 0.00 174.62 173.38 1ngx s ALA 130 N -2.11 1.32 -0.20 7.40 0.00 0.29 -3.05 121.76 125.42 1ngx s ALA 130 Ca 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ngx s ALA 130 Cb -0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1ngx s ALA 130 CO -0.00 -0.59 -0.03 -1.12 0.00 0.00 0.00 175.76 174.03 1ngx s SER 131 N 1.71 4.59 -0.16 0.00 0.01 -1.26 -1.16 113.70 117.43 1ngx s SER 131 Ca 0.03 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 1ngx s SER 131 Cb -0.14 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 1ngx s SER 131 CO -0.08 0.05 -0.06 -0.69 0.41 0.00 0.00 173.24 172.87 1ngx s VAL 132 N 1.08 3.62 -0.02 3.43 1.01 0.43 -3.55 120.40 126.40 1ngx s VAL 132 Ca 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1ngx s VAL 132 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1ngx s VAL 132 CO 0.01 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1ngx s VAL 133 N 0.51 2.59 -0.12 2.92 1.01 -0.87 -0.22 120.40 126.22 1ngx s VAL 133 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ngx s VAL 133 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1ngx s VAL 133 CO 0.03 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.50 1ngx s LEU 135 N 1.03 3.48 -0.28 0.00 2.96 0.69 -0.70 118.68 125.86 1ngx s LEU 135 Ca -0.05 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1ngx s LEU 135 Cb -0.15 -1.85 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1ngx s LEU 135 CO -0.03 0.19 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.40 1ngx s LEU 136 N 0.24 3.62 -0.11 -0.68 1.02 0.70 -1.31 118.68 122.16 1ngx s LEU 136 Ca -0.00 -1.17 -0.03 0.00 0.02 0.00 0.00 54.13 52.95 1ngx s LEU 136 Cb -0.13 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 1ngx s LEU 136 CO 0.02 -0.21 0.01 0.21 0.02 0.00 0.00 176.35 176.39 1ngx s ASN 137 N 1.26 5.24 -0.76 2.29 3.04 0.21 -0.28 114.94 125.94 1ngx s ASN 137 Ca -0.04 0.11 -0.05 0.00 0.04 0.00 0.00 52.86 52.91 1ngx s ASN 137 Cb -0.19 -1.58 0.01 0.00 -1.54 0.00 0.00 41.25 37.95 1ngx s ASN 137 CO -0.03 0.33 0.62 0.59 -3.04 0.00 0.00 177.10 175.58 1ngx n ASN 138 N 2.47 -5.40 -4.42 -4.21 3.02 -0.91 -1.69 115.26 104.12 1ngx n ASN 138 Ca -0.18 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 53.45 1ngx n ASN 138 Cb 0.53 -2.24 -0.10 0.00 -0.61 0.00 0.00 39.78 37.36 1ngx n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ngx s PHE 139 N -2.79 1.91 -0.27 3.10 -0.71 0.52 -4.59 117.98 115.14 1ngx s PHE 139 Ca 0.06 -0.81 -0.23 0.00 -1.04 0.00 0.00 56.93 54.90 1ngx s PHE 139 Cb -0.01 -1.15 0.08 0.00 -1.21 0.00 0.00 43.02 40.73 1ngx s PHE 139 CO 0.87 0.15 0.76 -0.47 -1.34 0.00 0.00 175.22 175.19 1ngx s TYR 140 N -3.16 -0.80 1.10 3.49 5.04 -0.29 -0.50 117.35 122.23 1ngx s TYR 140 Ca 0.31 1.86 -0.16 0.00 -2.44 0.00 0.00 57.07 56.64 1ngx s TYR 140 Cb 0.06 0.34 0.24 0.00 0.35 0.00 0.00 41.96 42.95 1ngx s TYR 140 CO 0.13 -0.39 1.12 -1.25 -1.34 0.00 0.00 175.55 173.82 1ngx s PRO 141 N 0.60 -0.42 0.44 4.97 0.04 -1.26 -1.11 135.00 138.24 1ngx s PRO 141 Ca -0.02 0.11 0.11 0.00 0.04 0.00 0.00 61.00 61.25 1ngx s PRO 141 Cb -0.05 -1.67 0.96 0.00 0.04 0.00 0.00 34.50 33.78 1ngx s PRO 141 CO -0.04 -3.22 2.02 -0.09 0.04 0.00 0.00 177.00 175.72 1ngx h ARG 142 N -2.23 0.21 -6.51 4.56 2.43 -1.98 -3.43 114.38 107.42 1ngx h ARG 142 Ca -0.49 -0.03 -0.53 0.00 -0.81 0.00 0.00 59.98 58.13 1ngx h ARG 142 Cb 1.31 -0.04 0.04 0.00 -0.42 0.00 0.00 29.97 30.86 1ngx h ARG 142 CO 0.44 0.25 1.11 -1.21 -1.51 0.00 0.00 179.97 179.04 1ngx s GLU 143 N -4.97 4.14 -0.05 0.20 8.01 -1.26 -4.97 118.70 119.80 1ngx s GLU 143 Ca -0.06 2.59 -0.29 0.00 0.01 0.00 0.00 54.97 57.23 1ngx s GLU 143 Cb 0.16 -3.58 0.06 0.00 -4.31 0.00 0.00 34.13 26.47 1ngx s GLU 143 CO 0.71 -0.84 0.63 0.00 0.01 0.00 0.00 175.26 175.77 1ngx s ALA 144 N 2.68 -1.63 -0.11 5.21 0.00 -1.26 -4.66 121.76 121.99 1ngx s ALA 144 Ca 0.80 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.98 1ngx s ALA 144 Cb -0.46 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ngx s ALA 144 CO 0.36 -0.35 -0.18 0.15 0.00 0.00 0.00 175.76 175.74 1ngx s LYS 145 N -1.18 2.51 -0.18 0.00 1.02 -0.53 -5.00 119.74 116.39 1ngx s LYS 145 Ca -0.11 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 1ngx s LYS 145 Cb -0.01 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1ngx s LYS 145 CO 0.09 -0.02 -0.07 0.08 -0.92 0.00 0.00 175.35 174.51 1ngx s VAL 146 N 0.85 3.35 -0.19 3.17 1.01 -1.26 -0.97 120.40 126.35 1ngx s VAL 146 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1ngx s VAL 146 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1ngx s VAL 146 CO -0.00 0.47 -0.19 -1.58 0.00 0.00 0.00 175.10 173.80 1ngx s GLN 147 N 0.96 2.89 0.10 2.72 2.00 0.24 -4.96 119.66 123.61 1ngx s GLN 147 Ca -0.01 -0.89 -0.22 0.00 -2.00 0.00 0.00 55.36 52.24 1ngx s GLN 147 Cb -0.15 -2.61 -0.07 0.00 0.80 0.00 0.00 33.01 30.99 1ngx s GLN 147 CO 0.00 -0.25 0.68 -1.58 -0.50 0.00 0.00 175.29 173.63 1ngx s TRP 148 N 1.27 3.82 -0.04 1.67 0.52 -1.26 -0.63 118.94 124.29 1ngx s TRP 148 Ca 0.03 1.43 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1ngx s TRP 148 Cb -0.14 -2.65 0.01 0.00 -1.15 0.00 0.00 33.47 29.54 1ngx s TRP 148 CO -0.12 0.50 -0.09 0.15 0.02 0.00 0.00 176.95 177.41 1ngx s LYS 149 N -0.89 1.09 -0.23 4.98 1.02 -0.11 -1.07 119.74 124.53 1ngx s LYS 149 Ca 0.33 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1ngx s LYS 149 Cb -0.21 -0.99 0.06 0.00 -0.52 0.00 0.00 37.83 36.17 1ngx s LYS 149 CO 0.22 0.05 -0.07 0.14 -0.92 0.00 0.00 175.35 174.77 1ngx s VAL 150 N 0.47 1.65 -1.45 3.17 -7.23 -0.46 -0.74 120.40 115.80 1ngx s VAL 150 Ca -0.08 -1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 58.77 1ngx s VAL 150 Cb -0.12 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 35.02 1ngx s VAL 150 CO 0.01 -0.03 0.83 0.47 -0.31 0.00 0.00 175.10 176.07 1ngx n ASP 151 N 4.64 -3.10 0.00 4.85 10.43 0.08 -1.00 116.55 132.44 1ngx n ASP 151 Ca -0.13 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.41 1ngx n ASP 151 Cb 0.44 -3.84 0.00 0.00 1.84 0.00 0.00 41.12 39.56 1ngx n ASP 151 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ngx n ASN 152 N -2.92 -1.08 -4.66 -2.24 3.02 -1.26 -4.99 115.26 101.13 1ngx n ASN 152 Ca -0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1ngx n ASN 152 Cb 0.59 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.49 1ngx n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngx s ALA 153 N -2.46 3.54 -0.05 5.41 0.00 -0.17 -5.02 121.76 123.01 1ngx s ALA 153 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1ngx s ALA 153 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1ngx s ALA 153 CO 0.00 -0.60 1.27 -0.51 0.00 0.00 0.00 175.76 175.92 1ngx s LEU 154 N 2.02 4.28 0.24 0.00 1.02 -1.26 -1.36 118.68 123.61 1ngx s LEU 154 Ca 0.31 1.89 -0.14 0.00 0.02 0.00 0.00 54.13 56.20 1ngx s LEU 154 Cb -0.16 -3.56 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 1ngx s LEU 154 CO 0.11 -0.65 0.64 -1.10 0.02 0.00 0.00 176.35 175.37 1ngx s GLN 155 N 2.46 3.99 -0.20 1.70 -1.52 -0.24 -5.00 119.66 120.86 1ngx s GLN 155 Ca 0.58 0.56 -0.20 0.00 -1.95 0.00 0.00 55.36 54.35 1ngx s GLN 155 Cb -0.26 -2.69 0.06 0.00 -0.22 0.00 0.00 33.01 29.90 1ngx s GLN 155 CO 0.22 0.32 0.57 -1.54 -0.25 0.00 0.00 175.29 174.62 1ngx s SER 156 N -2.05 -0.59 0.00 5.90 1.04 -1.26 -4.59 113.70 112.15 1ngx s SER 156 Ca 0.46 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1ngx s SER 156 Cb -0.13 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1ngx s SER 156 CO 0.19 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1ngx n GLY 157 N 2.61 2.21 0.74 7.32 0.00 -1.26 -4.87 105.19 111.95 1ngx n GLY 157 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1ngx n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ngx n ASN 158 N 0.00 2.60 -4.09 1.61 0.23 -1.26 -5.01 115.26 109.34 1ngx n ASN 158 Ca 0.00 -3.48 -0.11 0.00 -0.53 0.00 0.00 54.58 50.46 1ngx n ASN 158 Cb 0.00 -0.55 -0.11 0.00 -2.08 0.00 0.00 39.78 37.05 1ngx n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ngx s SER 159 N -2.63 0.80 0.02 0.53 1.04 -1.26 -1.58 113.70 110.62 1ngx s SER 159 Ca 0.40 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1ngx s SER 159 Cb 0.36 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1ngx s SER 159 CO 0.01 -0.36 -0.01 -1.10 0.98 0.00 0.00 173.24 172.76 1ngx s GLN 160 N -2.62 0.34 0.07 4.02 -0.21 -0.71 -4.97 119.66 115.58 1ngx s GLN 160 Ca -0.01 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 1ngx s GLN 160 Cb -0.03 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 34.08 1ngx s GLN 160 CO -0.03 -0.06 0.05 -1.83 -2.12 0.00 0.00 175.29 171.30 1ngx s GLU 161 N -1.51 0.72 0.04 2.91 -1.05 -1.26 -0.50 118.70 118.05 1ngx s GLU 161 Ca -0.15 -1.18 -0.08 0.00 -0.15 0.00 0.00 54.97 53.42 1ngx s GLU 161 Cb -0.09 0.25 -0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1ngx s GLU 161 CO -0.01 -0.18 0.15 -1.54 0.95 0.00 0.00 175.26 174.63 1ngx s SER 162 N -2.92 0.10 0.01 0.83 1.04 -0.85 -5.00 113.70 106.91 1ngx s SER 162 Ca 0.09 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1ngx s SER 162 Cb 0.07 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1ngx s SER 162 CO -0.09 -0.54 -0.19 -0.69 0.98 0.00 0.00 173.24 172.71 1ngx s VAL 163 N -2.61 1.53 0.80 5.02 1.01 -1.26 -1.93 120.40 122.95 1ngx s VAL 163 Ca -0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1ngx s VAL 163 Cb -0.01 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.15 1ngx s VAL 163 CO -0.04 0.34 1.10 0.42 0.00 0.00 0.00 175.10 176.91 1ngx s THR 164 N -0.57 3.05 0.56 3.92 -4.23 -0.63 -5.00 115.64 112.74 1ngx s THR 164 Ca 0.07 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1ngx s THR 164 Cb -0.08 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 1ngx s THR 164 CO 0.00 -0.44 1.04 -1.61 -0.54 0.00 0.00 174.62 173.07 1ngx s GLU 165 N -5.16 3.51 0.23 3.99 0.41 -1.26 -4.61 118.70 115.81 1ngx s GLU 165 Ca 0.61 1.22 -0.32 0.00 -0.41 0.00 0.00 54.97 56.07 1ngx s GLU 165 Cb -0.14 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.02 1ngx s GLU 165 CO 0.54 -0.66 1.51 0.94 -0.49 0.00 0.00 175.26 177.10 1ngx n GLN 166 N -1.71 2.27 -2.02 1.61 7.27 -1.26 -4.84 117.38 118.70 1ngx n GLN 166 Ca 0.09 0.81 -0.42 0.00 0.07 0.00 0.00 57.00 57.54 1ngx n GLN 166 Cb 0.53 -2.53 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 1ngx n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ngx s ASP 167 N 0.53 6.67 0.43 1.69 -1.08 0.15 -4.90 116.67 120.17 1ngx s ASP 167 Ca 0.70 2.44 0.30 0.00 -0.52 0.00 0.00 52.55 55.47 1ngx s ASP 167 Cb -0.61 -2.58 1.38 0.00 -1.46 0.00 0.00 42.92 39.65 1ngx s ASP 167 CO 0.46 -0.80 1.90 -1.28 0.52 0.00 0.00 175.17 175.96 1ngx h SER 168 N 7.54 0.00 0.00 -0.34 0.87 -1.90 -0.22 113.55 119.49 1ngx h SER 168 Ca -0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1ngx h SER 168 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1ngx h SER 168 CO 0.91 0.00 -1.08 0.29 -0.53 0.00 0.00 176.83 176.42 1ngx n LYS 169 N -2.64 0.52 -0.04 2.24 4.76 -1.26 -3.89 118.16 117.86 1ngx n LYS 169 Ca 0.00 0.28 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 1ngx n LYS 169 Cb 0.19 -1.49 0.14 0.00 -1.84 0.00 0.00 35.03 32.03 1ngx n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ngx n ASP 170 N -4.47 3.00 -2.01 4.39 5.68 -1.25 -4.98 116.55 116.92 1ngx n ASP 170 Ca -0.17 -1.97 -0.19 0.00 -0.50 0.00 0.00 54.79 51.95 1ngx n ASP 170 Cb 0.52 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 1ngx n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ngx n SER 171 N 1.31 -5.52 -4.94 -1.12 7.64 -0.09 -4.98 113.62 105.91 1ngx n SER 171 Ca 0.15 0.13 -0.20 0.00 1.01 0.00 0.00 58.87 59.97 1ngx n SER 171 Cb 0.59 -4.61 -0.01 0.00 -1.01 0.00 0.00 64.21 59.17 1ngx n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ngx s THR 172 N -2.90 2.69 0.30 0.44 -4.23 -1.26 -4.67 115.64 106.02 1ngx s THR 172 Ca 0.00 -1.19 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1ngx s THR 172 Cb 0.00 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.90 1ngx s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 1ngx s TYR 173 N -2.46 2.29 0.04 3.99 2.02 0.34 -0.67 117.35 122.89 1ngx s TYR 173 Ca 0.51 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1ngx s TYR 173 Cb -0.06 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1ngx s TYR 173 CO 0.30 0.63 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.72 1ngx s SER 174 N -3.54 0.79 0.01 2.29 0.01 -1.26 -0.35 113.70 111.65 1ngx s SER 174 Ca 0.31 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 57.08 1ngx s SER 174 Cb -0.01 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 1ngx s SER 174 CO 0.15 -0.18 -0.03 -0.22 0.41 0.00 0.00 173.24 173.37 1ngx s LEU 175 N -1.41 2.09 -0.07 2.44 0.20 0.61 -1.60 118.68 120.94 1ngx s LEU 175 Ca -0.09 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.55 1ngx s LEU 175 Cb -0.09 -0.06 0.01 0.00 -0.43 0.00 0.00 46.19 45.63 1ngx s LEU 175 CO 0.00 -0.08 -0.14 -0.55 -0.29 0.00 0.00 176.35 175.30 1ngx s SER 176 N -0.56 1.96 -0.06 3.68 0.15 -0.81 -0.22 113.70 117.84 1ngx s SER 176 Ca -0.05 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.33 1ngx s SER 176 Cb -0.04 -0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 63.35 1ngx s SER 176 CO -0.00 0.04 -0.22 -0.55 1.20 0.00 0.00 173.24 173.71 1ngx s SER 177 N 0.66 3.32 -0.13 5.45 0.15 0.12 -2.00 113.70 121.28 1ngx s SER 177 Ca -0.14 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.10 1ngx s SER 177 Cb -0.16 -0.82 0.01 0.00 -1.71 0.00 0.00 66.02 63.34 1ngx s SER 177 CO 0.04 0.27 -0.19 0.42 1.20 0.00 0.00 173.24 174.98 1ngx s THR 178 N -0.30 1.83 -0.24 6.45 -4.23 0.35 -0.45 115.64 119.04 1ngx s THR 178 Ca 0.01 -0.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.58 1ngx s THR 178 Cb -0.13 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 1ngx s THR 178 CO 0.02 0.51 0.15 -0.22 -0.54 0.00 0.00 174.62 174.54 1ngx s LEU 179 N 0.87 4.01 -0.15 4.79 2.96 0.70 -1.73 118.68 130.13 1ngx s LEU 179 Ca -0.07 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1ngx s LEU 179 Cb -0.15 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1ngx s LEU 179 CO -0.01 0.04 -0.14 0.42 -1.32 0.00 0.00 176.35 175.34 1ngx s THR 180 N 1.19 2.84 0.12 3.68 -4.23 -0.61 -0.43 115.64 118.20 1ngx s THR 180 Ca 0.07 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1ngx s THR 180 Cb -0.14 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1ngx s THR 180 CO 0.05 0.51 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.82 1ngx s LEU 181 N 0.72 2.46 0.69 4.79 1.43 -0.31 -4.89 118.68 123.57 1ngx s LEU 181 Ca -0.06 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 1ngx s LEU 181 Cb -0.15 -0.13 0.01 0.00 0.03 0.00 0.00 46.19 45.94 1ngx s LEU 181 CO 0.01 -0.45 1.06 -0.94 0.23 0.00 0.00 176.35 176.27 1ngx s SER 182 N -3.09 5.48 0.26 2.29 1.04 -1.26 -0.55 113.70 117.87 1ngx s SER 182 Ca 0.15 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.95 1ngx s SER 182 Cb 0.05 -2.31 0.29 0.00 0.10 0.00 0.00 66.02 64.15 1ngx s SER 182 CO -0.02 -1.35 1.92 0.50 0.98 0.00 0.00 173.24 175.26 1ngx h LYS 183 N -0.66 1.25 -0.27 4.02 3.64 -1.53 -0.30 116.57 122.73 1ngx h LYS 183 Ca -0.45 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1ngx h LYS 183 Cb 1.22 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1ngx h LYS 183 CO 0.60 0.85 0.17 0.00 -2.27 0.00 0.00 179.45 178.80 1ngx h ALA 184 N 1.37 0.34 -0.61 5.00 0.00 -1.92 -1.69 119.26 121.74 1ngx h ALA 184 Ca 0.34 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ngx h ALA 184 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ngx h ALA 184 CO -0.07 -0.17 0.02 -0.44 0.00 0.00 0.00 179.25 178.59 1ngx h ASP 185 N 0.35 1.05 -0.89 0.00 3.45 -1.84 -2.79 116.42 115.75 1ngx h ASP 185 Ca 0.10 -0.30 0.07 0.00 0.43 0.00 0.00 57.03 57.33 1ngx h ASP 185 Cb -0.01 -0.28 -0.07 0.00 -0.56 0.00 0.00 39.33 38.41 1ngx h ASP 185 CO -0.02 1.09 0.55 0.22 -1.57 0.00 0.00 179.24 179.51 1ngx h TYR 186 N 0.97 1.02 -0.03 4.55 5.03 -0.78 -1.68 116.97 126.05 1ngx h TYR 186 Ca 0.18 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1ngx h TYR 186 Cb 0.54 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1ngx h TYR 186 CO 0.04 0.49 0.00 0.39 -1.32 0.00 0.00 178.16 177.76 1ngx n GLU 187 N -4.62 1.17 0.00 1.82 1.02 -0.66 -3.09 120.64 116.28 1ngx n GLU 187 Ca 0.14 -0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 1ngx n GLU 187 Cb 0.21 -1.43 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1ngx n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ngx n LYS 188 N -0.06 1.24 -4.22 3.49 5.02 -0.63 -5.02 118.16 117.98 1ngx n LYS 188 Ca 0.01 -1.07 -0.13 0.00 -2.02 0.00 0.00 58.31 55.11 1ngx n LYS 188 Cb 0.24 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 1ngx n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ngx s HIS 189 N -1.28 1.15 -0.10 2.13 3.76 -1.18 -5.10 115.29 114.67 1ngx s HIS 189 Ca 0.14 -1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 53.90 1ngx s HIS 189 Cb 0.11 -0.65 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 1ngx s HIS 189 CO 0.22 -0.26 -0.21 1.17 -0.85 0.00 0.00 174.74 174.81 1ngx n LYS 190 N -0.21 0.32 -3.19 1.40 4.81 -1.26 -4.73 118.16 115.30 1ngx n LYS 190 Ca -0.06 0.13 -0.40 0.00 -0.87 0.00 0.00 58.31 57.11 1ngx n LYS 190 Cb 0.63 -1.06 -0.07 0.00 0.02 0.00 0.00 35.03 34.56 1ngx n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ngx s VAL 191 N -2.46 5.05 -0.18 3.15 1.01 -1.26 -0.44 120.40 125.26 1ngx s VAL 191 Ca -0.19 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1ngx s VAL 191 Cb 0.04 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ngx s VAL 191 CO 0.26 0.08 -0.07 -0.31 0.00 0.00 0.00 175.10 175.06 1ngx s TYR 192 N 2.25 2.92 0.03 5.22 1.51 -0.36 -0.74 117.35 128.19 1ngx s TYR 192 Ca 0.23 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1ngx s TYR 192 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1ngx s TYR 192 CO 0.09 -0.39 -0.07 0.00 -1.11 0.00 0.00 175.55 174.07 1ngx s ALA 193 N 0.99 0.49 -0.24 3.71 0.00 0.08 -1.40 121.76 125.39 1ngx s ALA 193 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1ngx s ALA 193 Cb -0.15 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1ngx s ALA 193 CO -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 175.76 175.61 1ngx s GLU 195 N 1.17 3.88 -0.14 0.00 2.12 0.19 -1.66 118.70 124.26 1ngx s GLU 195 Ca -0.05 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 1ngx s GLU 195 Cb -0.18 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1ngx s GLU 195 CO -0.06 -0.07 -0.02 0.08 -0.54 0.00 0.00 175.26 174.65 1ngx s VAL 196 N 1.38 4.08 -0.09 3.70 1.01 0.16 -0.60 120.40 130.03 1ngx s VAL 196 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1ngx s VAL 196 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1ngx s VAL 196 CO 0.06 0.51 -0.21 -0.89 0.00 0.00 0.00 175.10 174.57 1ngx s THR 197 N 0.12 2.33 -0.05 3.92 2.01 -0.14 -1.38 115.64 122.44 1ngx s THR 197 Ca 0.00 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 1ngx s THR 197 Cb -0.13 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.54 1ngx s THR 197 CO 0.02 0.56 0.64 -2.28 -0.69 0.00 0.00 174.62 172.87 1ngx s HIS 198 N 0.17 -0.61 0.45 4.92 2.46 -1.26 -1.45 115.29 119.98 1ngx s HIS 198 Ca -0.12 1.05 0.22 0.00 0.47 0.00 0.00 55.06 56.68 1ngx s HIS 198 Cb -0.16 0.37 1.21 0.00 -0.13 0.00 0.00 32.58 33.87 1ngx s HIS 198 CO 0.07 -0.58 1.86 1.96 -2.47 0.00 0.00 174.74 175.58 1ngx h GLN 199 N 3.14 0.27 -0.03 2.88 7.50 -1.93 0.85 115.11 127.79 1ngx h GLN 199 Ca -0.27 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1ngx h GLN 199 Cb 1.14 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.61 1ngx h GLN 199 CO 0.38 0.18 0.00 0.41 -1.50 0.00 0.00 178.83 178.30 1ngx n GLY 200 N -1.57 -0.64 3.16 3.46 0.00 -1.26 -4.68 105.19 103.65 1ngx n GLY 200 Ca 0.19 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1ngx n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngx s LEU 201 N -1.76 3.80 0.46 0.99 1.43 0.29 -4.52 118.68 119.39 1ngx s LEU 201 Ca 0.36 -1.26 0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1ngx s LEU 201 Cb 0.17 -1.69 1.11 0.00 0.03 0.00 0.00 46.19 45.82 1ngx s LEU 201 CO 0.28 -0.24 2.02 0.77 0.23 0.00 0.00 176.35 179.41 1ngx h SER 202 N 7.97 0.26 -4.38 2.29 4.64 -1.83 -3.41 113.55 119.09 1ngx h SER 202 Ca -0.21 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.80 1ngx h SER 202 Cb 1.06 -0.05 -0.24 0.00 -0.31 0.00 0.00 62.40 62.85 1ngx h SER 202 CO 0.53 0.16 -0.75 -0.44 -0.87 0.00 0.00 176.83 175.46 1ngx s SER 203 N -6.43 0.81 0.53 4.97 0.01 -1.26 -5.13 113.70 107.20 1ngx s SER 203 Ca -0.07 -0.35 -0.22 0.00 1.31 0.00 0.00 55.95 56.62 1ngx s SER 203 Cb 0.19 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.34 1ngx s SER 203 CO 0.73 -0.08 1.30 -0.81 0.41 0.00 0.00 173.24 174.80 1ngx n PRO 204 N 2.12 1.64 -4.14 12.44 -0.04 -1.26 -4.96 135.00 140.80 1ngx n PRO 204 Ca -0.18 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 1ngx n PRO 204 Cb 0.56 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.43 1ngx n PRO 204 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ngx s VAL 205 N -1.30 4.59 -0.07 0.52 0.11 -0.48 -4.90 120.40 118.86 1ngx s VAL 205 Ca 0.70 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 1ngx s VAL 205 Cb -0.43 -3.02 -0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1ngx s VAL 205 CO 0.50 0.51 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.68 1ngx s THR 206 N -0.01 1.85 -0.04 5.04 2.01 -1.26 0.35 115.64 123.59 1ngx s THR 206 Ca 0.05 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1ngx s THR 206 Cb -0.12 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1ngx s THR 206 CO 0.01 0.52 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.68 1ngx s LYS 207 N 0.17 2.30 0.30 4.92 3.01 -0.66 -4.96 119.74 124.82 1ngx s LYS 207 Ca -0.11 -0.88 -0.14 0.00 -1.01 0.00 0.00 55.97 53.82 1ngx s LYS 207 Cb -0.15 -2.13 0.02 0.00 -1.01 0.00 0.00 37.83 34.55 1ngx s LYS 207 CO 0.06 0.52 0.61 -1.54 0.51 0.00 0.00 175.35 175.51 1ngx s SER 208 N -0.50 0.02 0.10 2.83 1.04 -1.26 -0.53 113.70 115.41 1ngx s SER 208 Ca 0.06 -0.96 -0.17 0.00 0.48 0.00 0.00 55.95 55.36 1ngx s SER 208 Cb -0.11 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1ngx s SER 208 CO 0.01 -1.34 0.42 0.72 0.98 0.00 0.00 173.24 174.03 1ngx s PHE 209 N -3.50 -0.25 -0.18 5.02 -0.12 -0.49 -5.01 117.98 113.46 1ngx s PHE 209 Ca 0.19 0.03 -0.07 0.00 -0.05 0.00 0.00 56.93 57.03 1ngx s PHE 209 Cb -0.03 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1ngx s PHE 209 CO 0.11 -0.67 0.04 -0.80 -0.05 0.00 0.00 175.22 173.85 1ngx s ASN 210 N -2.55 5.41 0.14 1.98 0.01 -1.26 -1.22 114.94 117.44 1ngx s ASN 210 Ca 0.00 0.01 -0.34 0.00 -0.71 0.00 0.00 52.86 51.82 1ngx s ASN 210 Cb 0.01 -1.92 -0.14 0.00 0.41 0.00 0.00 41.25 39.61 1ngx s ASN 210 CO -0.09 0.15 1.59 -1.14 -1.51 0.00 0.00 177.10 176.10 1ngx n ARG 211 N 3.68 2.10 -3.11 -0.60 0.63 0.41 -4.86 116.66 114.92 1ngx n ARG 211 Ca -0.17 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1ngx n ARG 211 Cb 0.52 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.90 1ngx n ARG 211 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ngx n ASN 212 N 3.61 0.00 0.00 6.15 6.94 -1.26 -4.99 115.26 125.71 1ngx n ASN 212 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 1ngx n ASN 212 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1ngx n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61