#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxn n ASP 33 N 0.00 5.40 -0.55 1.96 4.64 -1.26 -4.40 116.55 122.33 3gxn n ASP 33 Ca 0.00 -2.50 0.04 0.00 -1.38 0.00 0.00 54.79 50.96 3gxn n ASP 33 Cb 0.00 -1.42 0.13 0.00 -1.04 0.00 0.00 41.12 38.78 3gxn n ASP 33 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3gxn n ASN 34 N 2.51 1.59 -0.78 1.67 0.23 -1.26 -4.91 115.26 114.31 3gxn n ASN 34 Ca 0.44 -2.02 -0.10 0.00 -0.53 0.00 0.00 54.58 52.37 3gxn n ASN 34 Cb 0.89 -0.21 -0.04 0.00 -2.08 0.00 0.00 39.78 38.33 3gxn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxn n GLY 35 N 0.91 1.08 3.77 4.83 0.00 -1.26 -5.00 105.19 109.52 3gxn n GLY 35 Ca 0.10 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3gxn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxn s LEU 36 N -2.32 2.98 -1.27 0.99 1.43 -1.26 -4.62 118.68 114.60 3gxn s LEU 36 Ca 0.00 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 3gxn s LEU 36 Cb 0.00 -1.34 0.08 0.00 0.03 0.00 0.00 46.19 44.96 3gxn s LEU 36 CO 0.00 -0.66 0.47 0.00 0.23 0.00 0.00 176.35 176.39 3gxn n ALA 37 N -1.32 -1.07 0.29 4.21 0.00 -1.26 -4.10 120.51 117.26 3gxn n ALA 37 Ca -0.03 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.66 3gxn n ALA 37 Cb 0.65 -2.68 0.99 0.00 0.00 0.00 0.00 19.45 18.41 3gxn n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxn h ARG 38 N -0.93 0.00 -5.59 0.00 2.47 -1.92 -1.97 114.38 106.45 3gxn h ARG 38 Ca -0.42 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 57.84 3gxn h ARG 38 Cb 1.28 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.45 3gxn h ARG 38 CO 0.53 0.00 -0.74 0.95 0.56 0.00 0.00 179.97 181.27 3gxn s THR 39 N -4.44 1.71 0.09 2.04 -4.23 -1.26 -4.32 115.64 105.22 3gxn s THR 39 Ca -0.05 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.01 3gxn s THR 39 Cb 0.14 -1.98 -0.10 0.00 1.34 0.00 0.00 72.50 71.90 3gxn s THR 39 CO 0.48 -0.55 1.87 -2.65 -0.54 0.00 0.00 174.62 173.23 3gxn n PRO 40 N -0.22 2.76 -1.63 3.99 -0.02 -1.26 -4.85 135.00 133.76 3gxn n PRO 40 Ca -0.09 1.01 -0.47 0.00 -2.02 0.00 0.00 63.50 61.92 3gxn n PRO 40 Cb 0.60 -2.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.13 3gxn n PRO 40 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gxn n THR 41 N 4.92 0.58 -4.76 3.45 -1.04 -1.26 -4.54 114.28 111.63 3gxn n THR 41 Ca 0.19 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 3gxn n THR 41 Cb 0.37 -1.21 -0.12 0.00 -1.82 0.00 0.00 70.33 67.55 3gxn n THR 41 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3gxn s MET 42 N 0.02 2.65 0.00 -2.82 -1.94 -1.26 0.10 119.30 116.04 3gxn s MET 42 Ca 0.74 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 3gxn s MET 42 Cb -0.76 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 33.59 3gxn s MET 42 CO 0.47 0.63 0.00 0.41 -0.01 0.00 0.00 175.02 176.52 3gxn n GLY 43 N 2.32 1.81 3.06 -0.03 0.00 0.36 -1.31 105.19 111.41 3gxn n GLY 43 Ca -0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 3gxn n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gxn s TRP 44 N 0.13 -0.18 -0.02 1.61 -0.00 0.16 -1.61 118.94 119.03 3gxn s TRP 44 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 56.10 56.52 3gxn s TRP 44 Cb 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 33.47 33.56 3gxn s TRP 44 CO 0.00 -0.11 0.02 -1.17 -0.00 0.00 0.00 176.95 175.69 3gxn s LEU 45 N -0.05 1.07 0.42 5.86 0.20 -0.10 0.70 118.68 126.78 3gxn s LEU 45 Ca -0.01 0.02 0.22 0.00 0.69 0.00 0.00 54.13 55.04 3gxn s LEU 45 Cb -0.02 -0.12 0.90 0.00 -0.43 0.00 0.00 46.19 46.53 3gxn s LEU 45 CO 0.00 -0.12 1.83 1.12 -0.29 0.00 0.00 176.35 178.89 3gxn h HIS 46 N 7.32 0.00 -0.22 5.38 2.07 -1.78 -3.35 115.15 124.57 3gxn h HIS 46 Ca -0.44 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.11 3gxn h HIS 46 Cb 1.12 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.05 3gxn h HIS 46 CO 0.51 0.28 -0.39 2.35 -3.07 0.00 0.00 177.93 177.61 3gxn h TRP 47 N 0.00 -1.18 -0.64 6.12 2.91 -1.89 0.13 115.95 121.41 3gxn h TRP 47 Ca -0.00 0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3gxn h TRP 47 Cb 0.73 0.54 -0.03 0.00 -0.51 0.00 0.00 29.16 29.89 3gxn h TRP 47 CO 0.00 -0.36 0.27 1.49 -1.03 0.00 0.00 178.44 178.82 3gxn h GLU 48 N -0.32 0.94 0.08 2.65 4.22 -1.88 0.87 114.58 121.14 3gxn h GLU 48 Ca 0.04 -0.16 -0.26 0.00 0.08 0.00 0.00 59.36 59.06 3gxn h GLU 48 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3gxn h GLU 48 CO -0.38 0.78 -1.23 -0.09 -2.18 0.00 0.00 179.01 175.91 3gxn h ARG 49 N 0.89 0.17 0.00 1.92 9.65 -1.68 -3.39 114.38 121.94 3gxn h ARG 49 Ca 0.22 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3gxn h ARG 49 Cb 0.17 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3gxn h ARG 49 CO -0.02 1.10 -0.55 1.19 2.80 0.00 0.00 179.97 184.49 3gxn n PHE 50 N -3.44 0.00 -1.75 2.20 3.72 0.44 -5.02 117.46 113.61 3gxn n PHE 50 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3gxn n PHE 50 Cb 1.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3gxn n PHE 50 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3gxn n MET 51 N -1.29 0.00 -2.22 -1.08 2.81 0.30 -3.47 117.12 112.18 3gxn n MET 51 Ca 0.01 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.56 3gxn n MET 51 Cb 0.15 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.68 3gxn n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxn s ASN 53 N -2.16 6.74 0.00 0.00 2.47 -1.23 -4.88 114.94 115.89 3gxn s ASN 53 Ca 0.50 0.90 0.12 0.00 0.42 0.00 0.00 52.86 54.79 3gxn s ASN 53 Cb 0.40 -2.54 0.25 0.00 -1.45 0.00 0.00 41.25 37.91 3gxn s ASN 53 CO -0.30 -1.08 1.13 0.18 -3.72 0.00 0.00 177.10 173.31 3gxn n LEU 54 N 7.47 2.65 -4.37 3.21 4.32 -1.26 -1.55 117.00 127.47 3gxn n LEU 54 Ca 0.13 -1.61 -0.45 0.00 -0.02 0.00 0.00 56.01 54.06 3gxn n LEU 54 Cb 0.48 -0.16 -0.04 0.00 -1.62 0.00 0.00 43.42 42.07 3gxn n LEU 54 CO 0.65 0.61 0.43 -0.62 -1.22 0.00 0.00 177.39 177.23 3gxn s ASP 55 N -1.02 6.22 0.00 -1.43 3.68 -1.26 -4.85 116.67 118.02 3gxn s ASP 55 Ca 0.22 -1.52 0.14 0.00 2.13 0.00 0.00 52.55 53.51 3gxn s ASP 55 Cb 0.12 -2.30 0.37 0.00 -1.45 0.00 0.00 42.92 39.66 3gxn s ASP 55 CO 0.17 -1.09 1.30 0.00 0.13 0.00 0.00 175.17 175.68 3gxn n GLN 57 N 0.79 0.00 0.13 0.00 1.13 -1.26 -3.90 117.38 114.27 3gxn n GLN 57 Ca 0.14 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.22 3gxn n GLN 57 Cb 0.47 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.99 3gxn n GLN 57 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3gxn h GLU 58 N 0.00 0.00 -2.12 -1.09 5.08 -2.00 -3.35 114.58 111.09 3gxn h GLU 58 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3gxn h GLU 58 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 3gxn h GLU 58 CO 0.00 0.56 -0.83 0.39 -1.00 0.00 0.00 179.01 178.13 3gxn n GLU 59 N -3.24 1.89 0.00 2.33 1.02 -1.19 -4.91 120.64 116.55 3gxn n GLU 59 Ca 0.02 -4.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.06 3gxn n GLU 59 Cb 0.76 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3gxn n GLU 59 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3gxn n PRO 60 N 0.78 0.00 0.00 3.49 -0.04 -1.25 -2.75 135.00 135.23 3gxn n PRO 60 Ca 0.27 0.30 -0.20 0.00 -0.04 0.00 0.00 63.50 63.83 3gxn n PRO 60 Cb 0.47 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 3gxn n PRO 60 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gxn n ASP 61 N -1.28 2.01 0.04 3.54 8.00 -1.26 -4.25 116.55 123.34 3gxn n ASP 61 Ca 0.00 0.24 0.11 0.00 0.71 0.00 0.00 54.79 55.85 3gxn n ASP 61 Cb 0.06 -0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3gxn n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gxn n SER 62 N -3.44 0.59 -4.51 -2.24 7.64 -1.17 -4.94 113.62 105.54 3gxn n SER 62 Ca -0.30 -0.07 -0.53 0.00 1.01 0.00 0.00 58.87 58.98 3gxn n SER 62 Cb 1.05 0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 65.04 3gxn n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gxn s ILE 64 N -0.18 3.59 0.14 0.00 1.09 -0.59 -4.72 121.20 120.52 3gxn s ILE 64 Ca 0.80 0.54 -0.17 0.00 -1.10 0.00 0.00 60.65 60.73 3gxn s ILE 64 Cb -1.06 -3.96 0.04 0.00 -1.06 0.00 0.00 42.46 36.42 3gxn s ILE 64 CO 0.54 -0.73 0.43 -0.94 -0.10 0.00 0.00 174.94 174.15 3gxn s SER 65 N 5.84 -0.26 0.18 3.58 1.04 -1.26 -4.88 113.70 117.93 3gxn s SER 65 Ca 0.68 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.65 3gxn s SER 65 Cb -0.16 0.50 0.16 0.00 0.10 0.00 0.00 66.02 66.62 3gxn s SER 65 CO 0.29 -0.89 1.71 1.05 0.98 0.00 0.00 173.24 176.38 3gxn h GLU 66 N 2.32 0.18 -1.11 4.02 4.11 -1.68 -1.95 114.58 120.46 3gxn h GLU 66 Ca -0.33 -0.01 0.32 0.00 0.07 0.00 0.00 59.36 59.41 3gxn h GLU 66 Cb 1.26 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3gxn h GLU 66 CO 0.45 0.12 0.85 0.87 0.07 0.00 0.00 179.01 181.37 3gxn h LYS 67 N 0.18 0.00 -0.12 1.06 6.56 -1.95 0.39 116.57 122.69 3gxn h LYS 67 Ca 0.23 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.64 3gxn h LYS 67 Cb 0.32 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.98 3gxn h LYS 67 CO -0.33 0.00 -0.62 1.25 -2.06 0.00 0.00 179.45 177.68 3gxn h LEU 68 N 0.00 0.76 -0.01 2.94 5.85 -1.64 -1.88 115.31 121.34 3gxn h LEU 68 Ca 0.53 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3gxn h LEU 68 Cb 2.23 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 43.04 3gxn h LEU 68 CO -0.01 1.28 -0.07 -0.26 -0.34 0.00 0.00 178.44 179.04 3gxn h PHE 69 N 0.30 0.09 -1.19 1.25 0.04 -0.31 -0.96 116.94 116.16 3gxn h PHE 69 Ca -0.04 -0.04 0.37 0.00 2.80 0.00 0.00 57.97 61.06 3gxn h PHE 69 Cb 1.26 -0.01 -0.12 0.00 2.20 0.00 0.00 35.95 39.28 3gxn h PHE 69 CO 0.10 0.74 0.75 1.98 -0.60 0.00 0.00 178.31 181.29 3gxn h MET 70 N -0.59 0.20 0.14 1.51 4.05 -1.15 0.87 114.93 119.97 3gxn h MET 70 Ca -0.01 -0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.14 3gxn h MET 70 Cb 0.75 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.52 3gxn h MET 70 CO 0.01 0.13 -1.29 1.49 0.23 0.00 0.00 176.91 177.48 3gxn h GLU 71 N 0.20 0.31 -0.81 0.39 4.81 -1.13 -2.56 114.58 115.79 3gxn h GLU 71 Ca 0.74 -0.52 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3gxn h GLU 71 Cb 2.13 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 31.65 3gxn h GLU 71 CO -0.41 1.25 0.51 0.52 -0.73 0.00 0.00 179.01 180.15 3gxn h MET 72 N -0.24 0.96 0.70 1.92 2.86 -0.28 -1.89 114.93 118.96 3gxn h MET 72 Ca -0.26 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 3gxn h MET 72 Cb 1.81 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 33.24 3gxn h MET 72 CO 0.12 0.63 -0.48 0.00 1.06 0.00 0.00 176.91 178.24 3gxn h ALA 73 N 1.35 -1.24 -1.02 6.32 0.00 0.64 -0.27 119.26 125.03 3gxn h ALA 73 Ca 0.33 -0.23 0.41 0.00 0.00 0.00 0.00 54.91 55.42 3gxn h ALA 73 Cb 0.05 0.63 -0.17 0.00 0.00 0.00 0.00 17.79 18.30 3gxn h ALA 73 CO -0.13 -1.21 0.57 1.49 0.00 0.00 0.00 179.25 179.97 3gxn h GLU 74 N -1.13 0.05 0.18 0.00 4.22 -1.32 -1.80 114.58 114.78 3gxn h GLU 74 Ca -0.09 -0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.00 3gxn h GLU 74 Cb 0.92 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.17 3gxn h GLU 74 CO 0.06 0.03 -1.69 -0.07 -2.18 0.00 0.00 179.01 175.16 3gxn h LEU 75 N 0.05 0.59 -0.82 1.64 4.07 -0.96 -3.14 115.31 116.74 3gxn h LEU 75 Ca 0.83 -0.86 0.16 0.00 0.08 0.00 0.00 57.88 58.09 3gxn h LEU 75 Cb 2.20 -0.19 -0.10 0.00 1.08 0.00 0.00 40.66 43.65 3gxn h LEU 75 CO -0.73 1.72 0.38 0.24 -1.08 0.00 0.00 178.44 178.97 3gxn h MET 76 N 0.10 0.51 0.84 1.13 2.86 -0.16 -0.99 114.93 119.23 3gxn h MET 76 Ca -0.32 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.25 3gxn h MET 76 Cb 2.09 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 33.65 3gxn h MET 76 CO 0.18 0.34 -0.41 0.28 1.06 0.00 0.00 176.91 178.36 3gxn h VAL 77 N 0.52 0.00 -0.63 -2.22 2.07 -1.63 -2.01 116.25 112.35 3gxn h VAL 77 Ca 0.46 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 68.10 3gxn h VAL 77 Cb 0.70 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 3gxn h VAL 77 CO -0.40 0.00 0.01 0.28 0.02 0.00 0.00 177.57 177.48 3gxn h SER 78 N -1.14 -0.26 -0.81 0.57 0.02 -1.19 -2.14 113.55 108.60 3gxn h SER 78 Ca -0.12 0.15 -0.28 0.00 -0.84 0.00 0.00 61.79 60.71 3gxn h SER 78 Cb 0.87 0.27 -0.17 0.00 0.14 0.00 0.00 62.40 63.51 3gxn h SER 78 CO 0.19 -0.11 0.36 -0.62 -1.14 0.00 0.00 176.83 175.50 3gxn n GLU 79 N -5.28 3.50 -4.23 3.45 -0.58 -0.49 -4.95 120.64 112.06 3gxn n GLU 79 Ca 0.09 -3.09 -0.37 0.00 -0.42 0.00 0.00 57.16 53.38 3gxn n GLU 79 Cb 0.36 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 28.98 3gxn n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxn n GLY 80 N -0.33 -0.44 0.13 0.62 0.00 -0.80 -4.83 105.19 99.53 3gxn n GLY 80 Ca 0.45 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 3gxn n GLY 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3gxn h TRP 81 N -1.48 0.34 0.37 1.61 4.06 -1.63 -1.86 115.95 117.36 3gxn h TRP 81 Ca -0.59 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.31 3gxn h TRP 81 Cb 1.38 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.45 3gxn h TRP 81 CO 0.64 0.38 -0.18 -0.22 -3.56 0.00 0.00 178.44 175.50 3gxn h LYS 82 N 0.21 -0.48 -1.00 0.49 3.11 -1.54 0.14 116.57 117.50 3gxn h LYS 82 Ca 0.07 0.03 0.36 0.00 -2.81 0.00 0.00 60.65 58.30 3gxn h LYS 82 Cb 0.18 0.11 -0.16 0.00 -1.00 0.00 0.00 32.23 31.36 3gxn h LYS 82 CO -0.01 -0.28 0.55 -0.44 -2.81 0.00 0.00 179.45 176.47 3gxn h ASP 83 N -0.56 0.43 0.57 4.20 3.45 -1.83 0.27 116.42 122.95 3gxn h ASP 83 Ca -0.05 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3gxn h ASP 83 Cb 0.42 0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 3gxn h ASP 83 CO 0.08 -0.25 -0.40 0.00 -1.57 0.00 0.00 179.24 177.11 3gxn n ALA 84 N -2.29 3.30 0.00 3.45 0.00 -0.27 -4.93 120.51 119.77 3gxn n ALA 84 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3gxn n ALA 84 Cb 1.09 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3gxn n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxn n GLY 85 N 1.49 0.51 3.54 0.00 0.00 0.94 -5.04 105.19 106.63 3gxn n GLY 85 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3gxn n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gxn s TYR 86 N -1.51 3.05 -0.06 1.61 2.02 -0.69 -4.49 117.35 117.28 3gxn s TYR 86 Ca 0.00 0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.92 3gxn s TYR 86 Cb 0.00 -3.47 -0.11 0.00 -0.40 0.00 0.00 41.96 37.98 3gxn s TYR 86 CO 0.00 -0.88 0.08 0.39 -1.57 0.00 0.00 175.55 173.57 3gxn n GLU 87 N 6.45 1.86 -3.39 -0.62 -0.58 -0.42 -3.68 120.64 120.25 3gxn n GLU 87 Ca 0.01 -0.03 -0.44 0.00 -0.42 0.00 0.00 57.16 56.27 3gxn n GLU 87 Cb 0.48 -1.21 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 3gxn n GLU 87 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3gxn s TYR 88 N -2.34 3.26 -0.43 -0.32 2.02 -1.02 -1.24 117.35 117.28 3gxn s TYR 88 Ca -0.04 -1.08 -0.26 0.00 -0.37 0.00 0.00 57.07 55.32 3gxn s TYR 88 Cb 0.04 -3.33 0.02 0.00 -0.40 0.00 0.00 41.96 38.29 3gxn s TYR 88 CO 0.35 -0.86 0.97 -1.17 -1.57 0.00 0.00 175.55 173.26 3gxn s LEU 89 N 1.61 3.94 -0.14 -1.29 2.96 0.18 0.39 118.68 126.32 3gxn s LEU 89 Ca 0.04 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3gxn s LEU 89 Cb -0.26 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3gxn s LEU 89 CO 0.05 -1.03 -0.09 0.00 -1.32 0.00 0.00 176.35 173.97 3gxn s ILE 91 N 0.36 4.85 0.00 0.00 1.01 -0.75 -2.76 121.20 123.91 3gxn s ILE 91 Ca -0.08 1.42 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3gxn s ILE 91 Cb -0.15 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3gxn s ILE 91 CO 0.04 0.38 0.00 -0.67 0.00 0.00 0.00 174.94 174.70 3gxn n ASP 92 N 2.85 0.11 -4.63 3.58 -0.08 -1.26 -3.30 116.55 113.82 3gxn n ASP 92 Ca -0.05 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.92 3gxn n ASP 92 Cb 0.51 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.14 3gxn n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3gxn n ASP 93 N 0.00 -0.04 -0.24 1.67 -0.08 -1.26 -4.16 116.55 112.44 3gxn n ASP 93 Ca 0.00 0.37 -0.02 0.00 -1.51 0.00 0.00 54.79 53.63 3gxn n ASP 93 Cb 0.00 -1.44 -0.00 0.00 2.34 0.00 0.00 41.12 42.02 3gxn n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxn n TRP 95 N -3.86 0.23 -3.91 0.00 4.27 -1.26 -4.97 117.44 107.94 3gxn n TRP 95 Ca -0.03 0.07 -0.25 0.00 -3.89 0.00 0.00 57.50 53.40 3gxn n TRP 95 Cb 0.46 -0.45 -0.03 0.00 -1.36 0.00 0.00 31.31 29.93 3gxn n TRP 95 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gxn s MET 96 N -3.28 3.45 0.52 -2.67 0.23 -1.26 -0.99 119.30 115.30 3gxn s MET 96 Ca 0.01 -0.61 -0.19 0.00 -1.03 0.00 0.00 55.69 53.86 3gxn s MET 96 Cb 0.14 -2.92 -0.07 0.00 -1.53 0.00 0.00 34.83 30.44 3gxn s MET 96 CO 0.84 0.47 1.06 0.00 -2.03 0.00 0.00 175.02 175.37 3gxn s ALA 97 N -1.84 2.81 0.19 3.16 0.00 0.25 -4.23 121.76 122.09 3gxn s ALA 97 Ca 0.35 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.97 3gxn s ALA 97 Cb -0.10 -3.27 0.53 0.00 0.00 0.00 0.00 23.12 20.27 3gxn s ALA 97 CO 0.29 -0.50 0.93 -2.30 0.00 0.00 0.00 175.76 174.17 3gxn n PRO 98 N -1.22 -0.04 -3.47 0.00 -0.01 -1.26 -4.66 135.00 124.33 3gxn n PRO 98 Ca 0.10 0.87 -0.12 0.00 -0.01 0.00 0.00 63.50 64.33 3gxn n PRO 98 Cb 0.52 -1.42 -0.04 0.00 -0.01 0.00 0.00 33.50 32.55 3gxn n PRO 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3gxn n GLN 99 N -4.66 0.42 -1.47 -0.52 0.00 -1.26 -4.30 117.38 105.60 3gxn n GLN 99 Ca 0.16 -2.22 -0.31 0.00 0.00 0.00 0.00 57.00 54.63 3gxn n GLN 99 Cb 0.52 1.99 0.08 0.00 0.00 0.00 0.00 30.24 32.83 3gxn n GLN 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3gxn s ARG 100 N -2.76 2.43 0.00 2.61 1.81 -1.26 -4.64 118.95 117.13 3gxn s ARG 100 Ca 0.25 0.90 0.00 0.00 -1.72 0.00 0.00 55.73 55.16 3gxn s ARG 100 Cb 0.00 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 3gxn s ARG 100 CO 0.18 -1.45 0.00 -0.40 -0.68 0.00 0.00 175.30 172.95 3gxn n ASP 101 N -3.36 0.00 -0.26 0.23 5.68 -0.07 -4.94 116.55 113.83 3gxn n ASP 101 Ca 0.08 -0.86 0.02 0.00 -0.50 0.00 0.00 54.79 53.53 3gxn n ASP 101 Cb 0.54 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.76 3gxn n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gxn h SER 102 N 0.00 0.89 0.70 -1.12 4.64 -1.98 -2.74 113.55 113.93 3gxn h SER 102 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gxn h SER 102 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3gxn h SER 102 CO 0.00 0.61 -0.24 1.21 -0.87 0.00 0.00 176.83 177.53 3gxn n GLU 103 N -4.45 0.08 -0.05 4.77 2.13 -1.26 -4.92 120.64 116.94 3gxn n GLU 103 Ca 0.11 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3gxn n GLU 103 Cb 0.12 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.33 3gxn n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxn n GLY 104 N 1.47 0.80 3.91 8.31 0.00 -1.03 -5.08 105.19 113.56 3gxn n GLY 104 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3gxn n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxn s ARG 105 N -0.95 3.57 0.94 1.61 0.52 -1.26 -4.80 118.95 118.58 3gxn s ARG 105 Ca 0.00 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.26 3gxn s ARG 105 Cb 0.00 -2.42 0.16 0.00 0.52 0.00 0.00 34.95 33.21 3gxn s ARG 105 CO 0.00 -0.13 1.09 -0.51 0.02 0.00 0.00 175.30 175.77 3gxn s LEU 106 N -4.53 2.02 -0.02 2.53 1.43 -1.26 -0.90 118.68 117.96 3gxn s LEU 106 Ca 0.47 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 3gxn s LEU 106 Cb -0.10 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.34 3gxn s LEU 106 CO 0.42 -2.93 0.35 0.00 0.23 0.00 0.00 176.35 174.41 3gxn s GLN 107 N -4.87 0.71 0.74 1.70 -2.07 -1.26 -4.76 119.66 109.85 3gxn s GLN 107 Ca 0.64 -0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.88 3gxn s GLN 107 Cb -0.19 0.32 0.04 0.00 -1.09 0.00 0.00 33.01 32.09 3gxn s GLN 107 CO 0.58 -0.20 1.23 0.00 -1.32 0.00 0.00 175.29 175.58 3gxn n ALA 108 N 1.22 0.43 -1.69 2.60 0.00 -1.26 -0.59 120.51 121.22 3gxn n ALA 108 Ca -0.21 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 3gxn n ALA 108 Cb 0.56 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3gxn n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gxn n ASP 109 N -2.69 3.51 -0.12 0.00 2.03 -0.16 -4.01 116.55 115.10 3gxn n ASP 109 Ca 0.15 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 56.43 3gxn n ASP 109 Cb 0.49 -1.49 -0.01 0.00 -0.72 0.00 0.00 41.12 39.39 3gxn n ASP 109 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gxn h PRO 110 N 6.43 0.52 -0.02 -0.67 0.11 -1.92 -0.69 132.00 135.77 3gxn h PRO 110 Ca -0.44 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 3gxn h PRO 110 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gxn h PRO 110 CO 0.92 0.45 -0.79 1.96 -0.21 0.00 0.00 178.00 180.33 3gxn h GLN 111 N 0.45 0.18 0.00 1.05 7.50 -1.94 -2.73 115.11 119.62 3gxn h GLN 111 Ca 0.13 -0.17 -0.27 0.00 0.50 0.00 0.00 58.65 58.83 3gxn h GLN 111 Cb 0.09 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 3gxn h GLN 111 CO -0.02 0.88 -1.76 0.54 -1.50 0.00 0.00 178.83 176.98 3gxn n ARG 112 N -3.71 0.64 -3.36 1.46 1.74 -1.16 -4.31 116.66 107.97 3gxn n ARG 112 Ca -0.03 0.23 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 3gxn n ARG 112 Cb 0.75 -1.75 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 3gxn n ARG 112 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gxn n PHE 113 N -2.96 2.93 -0.34 -1.55 3.72 -0.28 -1.67 117.46 117.32 3gxn n PHE 113 Ca -0.18 -4.04 0.03 0.00 -0.05 0.00 0.00 57.45 53.21 3gxn n PHE 113 Cb 1.02 -0.52 0.20 0.00 -0.94 0.00 0.00 39.48 39.24 3gxn n PHE 113 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxn h PRO 114 N 4.08 1.09 0.00 -1.08 0.13 -1.66 -1.92 132.00 132.64 3gxn h PRO 114 Ca 0.17 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gxn h PRO 114 Cb 0.70 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3gxn h PRO 114 CO 0.77 0.72 -0.03 0.45 -0.23 0.00 0.00 178.00 179.68 3gxn h HIS 115 N 1.12 0.00 0.00 1.56 3.86 -1.92 -3.49 115.15 116.28 3gxn h HIS 115 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3gxn h HIS 115 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3gxn h HIS 115 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3gxn n GLY 116 N 1.27 -1.06 0.09 2.45 0.00 -0.72 -4.44 105.19 102.77 3gxn n GLY 116 Ca 0.05 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 3gxn n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gxn h ILE 117 N 0.00 1.28 -0.75 -0.61 1.08 -1.96 -2.96 117.51 113.59 3gxn h ILE 117 Ca 0.00 -2.19 0.12 0.00 -0.39 0.00 0.00 64.86 62.40 3gxn h ILE 117 Cb 0.00 2.65 -0.12 0.00 -3.07 0.00 0.00 36.82 36.27 3gxn h ILE 117 CO 0.00 0.43 -0.28 -1.14 -0.69 0.00 0.00 178.15 176.48 3gxn n ARG 118 N -4.53 -0.16 0.00 2.37 0.63 -1.26 0.13 116.66 113.84 3gxn n ARG 118 Ca -0.20 1.16 -0.12 0.00 -0.92 0.00 0.00 57.85 57.77 3gxn n ARG 118 Cb 0.55 -1.72 -0.08 0.00 0.45 0.00 0.00 32.46 31.66 3gxn n ARG 118 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3gxn h GLN 119 N 0.00 0.04 -0.59 -0.14 4.20 -1.78 -1.57 115.11 115.28 3gxn h GLN 119 Ca 0.28 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.08 3gxn h GLN 119 Cb 0.46 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.16 3gxn h GLN 119 CO -0.75 0.31 0.13 1.25 -0.67 0.00 0.00 178.83 179.10 3gxn h LEU 120 N -0.23 0.01 0.00 1.46 5.85 -0.48 0.11 115.31 122.03 3gxn h LEU 120 Ca 0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3gxn h LEU 120 Cb 0.29 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3gxn h LEU 120 CO 0.00 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 3gxn n ALA 121 N -2.58 -0.33 -0.00 1.25 0.00 0.34 -1.43 120.51 117.77 3gxn n ALA 121 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gxn n ALA 121 Cb 0.31 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 3gxn n ALA 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gxn n ASN 122 N -2.25 -0.00 -0.07 0.00 2.85 -0.60 0.41 115.26 115.60 3gxn n ASN 122 Ca 0.00 0.01 -0.10 0.00 -0.11 0.00 0.00 54.58 54.38 3gxn n ASN 122 Cb 0.00 -0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3gxn n ASN 122 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 3gxn h TYR 123 N 0.00 0.33 -0.26 1.20 3.20 0.12 -2.39 116.97 119.17 3gxn h TYR 123 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3gxn h TYR 123 Cb 0.00 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3gxn h TYR 123 CO -0.00 0.27 0.12 0.28 -1.64 0.00 0.00 178.16 177.19 3gxn h VAL 124 N 0.28 0.97 0.09 1.81 2.07 0.12 -2.68 116.25 118.92 3gxn h VAL 124 Ca 0.09 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3gxn h VAL 124 Cb 0.05 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3gxn h VAL 124 CO -0.01 0.05 -0.43 0.45 0.02 0.00 0.00 177.57 177.64 3gxn h HIS 125 N 0.25 -1.22 -1.58 1.57 3.86 -0.92 -0.83 115.15 116.28 3gxn h HIS 125 Ca 0.11 0.03 0.47 0.00 -1.16 0.00 0.00 60.37 59.83 3gxn h HIS 125 Cb 0.05 0.52 -0.09 0.00 1.06 0.00 0.00 27.41 28.95 3gxn h HIS 125 CO -0.11 -0.52 1.10 0.66 0.86 0.00 0.00 177.93 179.92 3gxn h SER 126 N -0.65 0.09 -0.16 2.45 4.64 -1.09 3.51 113.55 122.35 3gxn h SER 126 Ca 0.02 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gxn h SER 126 Cb 0.69 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3gxn h SER 126 CO -0.27 -0.06 0.00 0.29 -0.87 0.00 0.00 176.83 175.93 3gxn n LYS 127 N -4.25 1.50 -1.19 4.77 5.02 -0.38 -4.88 118.16 118.75 3gxn n LYS 127 Ca 0.38 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 3gxn n LYS 127 Cb 1.64 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 3gxn n LYS 127 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gxn n GLY 128 N 0.96 0.50 3.86 0.72 0.00 1.16 -4.92 105.19 107.47 3gxn n GLY 128 Ca 0.13 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 3gxn n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gxn s LEU 129 N 0.00 2.87 0.04 0.99 1.43 -0.83 -5.00 118.68 118.17 3gxn s LEU 129 Ca 0.00 -1.16 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 3gxn s LEU 129 Cb 0.00 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3gxn s LEU 129 CO 0.00 -0.90 -0.13 -0.54 0.23 0.00 0.00 176.35 175.00 3gxn s LYS 130 N -4.15 0.89 -0.21 1.70 1.02 -0.37 -3.88 119.74 114.74 3gxn s LYS 130 Ca 0.36 -0.73 -0.06 0.00 0.02 0.00 0.00 55.97 55.56 3gxn s LYS 130 Cb -0.01 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 3gxn s LYS 130 CO 0.21 0.22 0.02 -1.17 -0.92 0.00 0.00 175.35 173.71 3gxn s LEU 131 N -1.12 3.36 0.08 3.17 2.96 -1.26 0.48 118.68 126.35 3gxn s LEU 131 Ca 0.01 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3gxn s LEU 131 Cb -0.08 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3gxn s LEU 131 CO 0.01 0.06 0.22 -0.83 -1.32 0.00 0.00 176.35 174.49 3gxn s GLY 132 N 1.02 2.10 0.26 7.98 0.00 0.45 -0.55 107.32 118.58 3gxn s GLY 132 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3gxn s GLY 132 CO 0.02 -0.86 0.07 -1.50 0.00 0.00 0.00 173.10 170.83 3gxn s ILE 133 N -1.55 0.71 -0.00 0.90 1.10 -0.55 -1.80 121.20 120.01 3gxn s ILE 133 Ca 0.35 -2.00 0.05 0.00 -0.51 0.00 0.00 60.65 58.54 3gxn s ILE 133 Cb -0.13 -2.58 -0.01 0.00 0.15 0.00 0.00 42.46 39.89 3gxn s ILE 133 CO 0.28 -0.08 -0.16 -0.47 -2.11 0.00 0.00 174.94 172.40 3gxn s TYR 134 N -3.64 1.42 0.28 3.50 5.04 -1.21 -1.16 117.35 121.57 3gxn s TYR 134 Ca 0.35 -0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.60 3gxn s TYR 134 Cb 0.08 -0.90 0.00 0.00 0.35 0.00 0.00 41.96 41.49 3gxn s TYR 134 CO 0.12 -0.01 0.49 0.00 -1.34 0.00 0.00 175.55 174.81 3gxn s ALA 135 N -0.45 0.02 -0.03 3.97 0.00 -0.27 -4.89 121.76 120.11 3gxn s ALA 135 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3gxn s ALA 135 Cb -0.06 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.14 3gxn s ALA 135 CO -0.00 -0.84 -0.04 0.34 0.00 0.00 0.00 175.76 175.22 3gxn s ASP 136 N -3.08 0.71 0.37 0.00 -1.08 -1.26 0.47 116.67 112.79 3gxn s ASP 136 Ca 0.24 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.26 3gxn s ASP 136 Cb -0.01 -0.28 0.81 0.00 -1.46 0.00 0.00 42.92 41.98 3gxn s ASP 136 CO 0.12 -0.03 1.94 1.62 0.52 0.00 0.00 175.17 179.34 3gxn h VAL 137 N 5.84 0.95 -1.48 1.11 3.04 -1.17 -1.53 116.25 123.01 3gxn h VAL 137 Ca -0.37 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3gxn h VAL 137 Cb 1.16 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3gxn h VAL 137 CO 0.48 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 3gxn n GLY 138 N -1.46 0.61 0.22 3.17 0.00 -1.24 -2.58 105.19 103.90 3gxn n GLY 138 Ca 0.12 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.53 3gxn n GLY 138 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gxn h ASN 139 N 0.00 0.00 -5.05 1.61 2.35 -0.99 0.21 115.58 113.70 3gxn h ASN 139 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3gxn h ASN 139 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 3gxn h ASN 139 CO 0.00 0.00 -0.09 -0.54 -1.65 0.00 0.00 177.43 175.15 3gxn s LYS 140 N -3.53 0.98 1.14 0.81 1.02 -1.26 -1.89 119.74 117.01 3gxn s LYS 140 Ca 0.02 -0.52 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 3gxn s LYS 140 Cb 0.09 0.43 0.26 0.00 -0.52 0.00 0.00 37.83 38.09 3gxn s LYS 140 CO 0.47 -0.36 1.07 0.95 -0.92 0.00 0.00 175.35 176.56 3gxn s THR 141 N -3.05 1.79 0.06 2.17 -4.23 0.80 -4.48 115.64 108.70 3gxn s THR 141 Ca -0.02 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 3gxn s THR 141 Cb 0.00 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.82 3gxn s THR 141 CO -0.07 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.93 3gxn h ALA 143 N 1.95 0.92 0.00 0.00 0.00 -1.99 -3.46 119.26 116.67 3gxn h ALA 143 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gxn h ALA 143 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gxn h ALA 143 CO 0.01 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3gxn n GLY 144 N 0.92 1.08 3.76 0.00 0.00 -0.96 -5.10 105.19 104.89 3gxn n GLY 144 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3gxn n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxn s PHE 145 N -2.00 2.55 0.11 1.61 0.08 -1.26 -4.70 117.98 114.36 3gxn s PHE 145 Ca 0.00 1.17 -0.36 0.00 0.12 0.00 0.00 56.93 57.86 3gxn s PHE 145 Cb 0.00 -3.16 -0.16 0.00 -0.57 0.00 0.00 43.02 39.13 3gxn s PHE 145 CO 0.00 -2.14 1.40 -0.35 -0.10 0.00 0.00 175.22 174.03 3gxn n PRO 146 N -3.69 1.40 -0.98 0.24 -0.04 -1.26 -0.14 135.00 130.54 3gxn n PRO 146 Ca 0.07 0.50 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 3gxn n PRO 146 Cb 0.56 -2.18 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 3gxn n PRO 146 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gxn n GLY 147 N 2.73 0.34 0.06 0.55 0.00 -0.79 -4.07 105.19 104.01 3gxn n GLY 147 Ca 0.18 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.29 3gxn n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxn n SER 148 N -3.03 1.03 -4.66 1.61 7.64 0.70 -4.79 113.62 112.12 3gxn n SER 148 Ca 0.04 -1.02 -0.46 0.00 1.01 0.00 0.00 58.87 58.44 3gxn n SER 148 Cb 0.15 0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3gxn n SER 148 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3gxn n PHE 149 N -0.02 2.35 -0.09 1.43 7.35 -0.97 -0.21 117.46 127.30 3gxn n PHE 149 Ca 0.01 -0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 3gxn n PHE 149 Cb 0.04 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.16 3gxn n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gxn n GLY 150 N 4.60 0.82 0.00 7.13 0.00 -1.26 -4.89 105.19 111.60 3gxn n GLY 150 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3gxn n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxn n TYR 151 N -2.00 0.00 -0.14 1.61 4.01 0.70 -4.84 117.16 116.51 3gxn n TYR 151 Ca 0.00 -0.12 -0.06 0.00 -0.16 0.00 0.00 57.90 57.56 3gxn n TYR 151 Cb 0.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3gxn n TYR 151 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3gxn h TYR 152 N 0.00 -0.78 0.12 -0.72 0.05 -1.87 0.41 116.97 114.19 3gxn h TYR 152 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.85 3gxn h TYR 152 Cb 0.22 0.41 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 3gxn h TYR 152 CO 0.00 -0.35 -0.43 -0.44 -1.05 0.00 0.00 178.16 175.89 3gxn h ASP 153 N -0.20 -1.27 -0.14 3.88 3.32 -1.91 -0.43 116.42 119.66 3gxn h ASP 153 Ca 0.20 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.42 3gxn h ASP 153 Cb 0.51 0.47 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 3gxn h ASP 153 CO -0.55 -0.46 -0.11 0.40 -1.72 0.00 0.00 179.24 176.79 3gxn h ILE 154 N -0.62 0.67 -0.84 0.35 2.04 -1.78 -3.02 117.51 114.31 3gxn h ILE 154 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3gxn h ILE 154 Cb 0.62 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3gxn h ILE 154 CO -0.22 0.00 0.56 0.44 0.00 0.00 0.00 178.15 178.93 3gxn h ASP 155 N -0.13 0.93 0.25 1.72 3.45 0.10 0.08 116.42 122.84 3gxn h ASP 155 Ca 0.09 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.54 3gxn h ASP 155 Cb 0.26 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3gxn h ASP 155 CO -0.22 0.66 -0.32 0.00 -1.57 0.00 0.00 179.24 177.79 3gxn h ALA 156 N 1.49 -0.64 -0.34 3.45 0.00 -1.06 -2.33 119.26 119.84 3gxn h ALA 156 Ca 0.32 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3gxn h ALA 156 Cb -0.04 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3gxn h ALA 156 CO -0.09 -0.90 -0.23 0.37 0.00 0.00 0.00 179.25 178.41 3gxn h GLN 157 N -0.63 -0.18 -0.53 0.00 5.75 -0.89 0.19 115.11 118.83 3gxn h GLN 157 Ca -0.00 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 3gxn h GLN 157 Cb 0.60 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 29.09 3gxn h GLN 157 CO -0.10 -0.12 -0.51 1.15 -2.65 0.00 0.00 178.83 176.60 3gxn h THR 158 N -0.18 0.04 -0.08 2.39 2.02 -1.24 0.52 112.91 116.37 3gxn h THR 158 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3gxn h THR 158 Cb 0.45 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 3gxn h THR 158 CO -0.45 0.00 -0.23 -0.26 0.37 0.00 0.00 175.52 174.95 3gxn h PHE 159 N -0.29 -0.62 -0.88 3.16 0.04 -0.38 0.84 116.94 118.82 3gxn h PHE 159 Ca 0.13 0.03 0.15 0.00 2.80 0.00 0.00 57.97 61.07 3gxn h PHE 159 Cb 0.57 0.29 -0.09 0.00 2.20 0.00 0.00 35.95 38.91 3gxn h PHE 159 CO -0.74 -0.31 0.48 0.00 -0.60 0.00 0.00 178.31 177.13 3gxn h ALA 160 N 0.60 1.35 -0.85 2.45 0.00 -0.06 -0.30 119.26 122.45 3gxn h ALA 160 Ca 0.09 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gxn h ALA 160 Cb 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3gxn h ALA 160 CO -0.27 -0.05 0.56 -0.44 0.00 0.00 0.00 179.25 179.05 3gxn h ASP 161 N 0.68 0.96 1.64 0.00 3.32 0.22 -2.62 116.42 120.62 3gxn h ASP 161 Ca 0.48 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.47 3gxn h ASP 161 Cb 0.66 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3gxn h ASP 161 CO -0.35 0.69 -0.18 -0.50 -1.72 0.00 0.00 179.24 177.18 3gxn h TRP 162 N 1.14 0.00 0.00 4.55 6.55 0.85 -3.47 115.95 125.56 3gxn h TRP 162 Ca 0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.15 3gxn h TRP 162 Cb -0.11 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 3gxn h TRP 162 CO -0.00 0.18 0.00 0.41 -1.05 0.00 0.00 178.44 177.98 3gxn n GLY 163 N 0.94 1.14 3.71 1.49 0.00 -0.97 -4.17 105.19 107.32 3gxn n GLY 163 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3gxn n GLY 163 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gxn n VAL 164 N -1.72 3.04 0.08 1.61 0.31 -1.10 -4.76 118.33 115.79 3gxn n VAL 164 Ca 0.00 -0.50 0.01 0.00 -0.01 0.00 0.00 64.34 63.84 3gxn n VAL 164 Cb 0.00 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3gxn n VAL 164 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gxn n ASP 165 N -0.25 0.71 -3.62 4.52 8.00 0.28 -4.80 116.55 121.39 3gxn n ASP 165 Ca 0.08 -0.86 -0.10 0.00 0.71 0.00 0.00 54.79 54.63 3gxn n ASP 165 Cb 0.42 0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 3gxn n ASP 165 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gxn s LEU 166 N -0.97 -0.44 -0.04 0.64 0.20 -0.98 -1.75 118.68 115.33 3gxn s LEU 166 Ca 0.02 0.74 0.01 0.00 0.69 0.00 0.00 54.13 55.59 3gxn s LEU 166 Cb 0.02 1.92 0.02 0.00 -0.43 0.00 0.00 46.19 47.71 3gxn s LEU 166 CO 0.05 -0.23 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.62 3gxn s LEU 167 N -0.22 1.31 -0.36 -0.68 2.96 0.07 -1.49 118.68 120.27 3gxn s LEU 167 Ca 0.01 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 3gxn s LEU 167 Cb -0.03 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.22 3gxn s LEU 167 CO -0.03 -0.06 0.23 -0.75 -1.32 0.00 0.00 176.35 174.42 3gxn s LYS 168 N 0.94 3.14 -0.27 1.98 2.20 -0.31 -1.82 119.74 125.61 3gxn s LYS 168 Ca -0.11 -0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 54.50 3gxn s LYS 168 Cb -0.14 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 3gxn s LYS 168 CO -0.00 -0.58 0.27 0.12 -0.36 0.00 0.00 175.35 174.80 3gxn s PHE 169 N 1.64 3.24 0.47 4.03 5.36 -0.71 -1.11 117.98 130.89 3gxn s PHE 169 Ca 0.04 0.26 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 3gxn s PHE 169 Cb -0.18 -2.46 0.02 0.00 -0.34 0.00 0.00 43.02 40.06 3gxn s PHE 169 CO 0.08 -0.18 0.65 0.34 -1.46 0.00 0.00 175.22 174.65 3gxn s ASP 170 N 1.66 5.53 -0.24 6.13 -1.08 0.17 -1.74 116.67 127.09 3gxn s ASP 170 Ca 0.11 -0.25 0.10 0.00 -0.52 0.00 0.00 52.55 51.99 3gxn s ASP 170 Cb -0.16 -0.77 0.46 0.00 -1.46 0.00 0.00 42.92 40.99 3gxn s ASP 170 CO 0.10 -0.89 1.33 0.61 0.52 0.00 0.00 175.17 176.84 3gxn n GLY 171 N -2.03 5.01 3.83 2.66 0.00 -1.26 -0.65 105.19 112.74 3gxn n GLY 171 Ca 0.08 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 3gxn n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxn n TYR 173 N -1.17 -2.91 -3.73 0.00 4.01 -1.26 -3.74 117.16 108.36 3gxn n TYR 173 Ca 0.07 1.12 -0.13 0.00 -0.16 0.00 0.00 57.90 58.79 3gxn n TYR 173 Cb 0.54 -4.00 -0.10 0.00 -0.31 0.00 0.00 39.34 35.46 3gxn n TYR 173 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxn n ASP 175 N 2.99 -0.15 -3.23 0.00 8.00 -1.26 -4.86 116.55 118.05 3gxn n ASP 175 Ca -0.14 0.41 -0.10 0.00 0.71 0.00 0.00 54.79 55.67 3gxn n ASP 175 Cb 0.57 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3gxn n ASP 175 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gxn s SER 176 N -3.98 0.24 0.17 -2.24 1.04 -1.26 -5.04 113.70 102.63 3gxn s SER 176 Ca -0.02 -1.17 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 3gxn s SER 176 Cb 0.02 0.76 0.06 0.00 0.10 0.00 0.00 66.02 66.95 3gxn s SER 176 CO 0.09 -1.48 1.48 -0.07 0.98 0.00 0.00 173.24 174.24 3gxn h LEU 177 N 2.06 0.74 -0.50 2.42 4.07 -1.97 -1.45 115.31 120.68 3gxn h LEU 177 Ca -0.29 -0.39 0.05 0.00 0.08 0.00 0.00 57.88 57.34 3gxn h LEU 177 Cb 1.25 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 42.69 3gxn h LEU 177 CO 0.38 1.13 -0.51 -0.33 -1.08 0.00 0.00 178.44 178.02 3gxn h GLU 178 N 0.52 -0.27 0.18 1.13 4.39 -1.98 0.23 114.58 118.79 3gxn h GLU 178 Ca 0.02 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3gxn h GLU 178 Cb 1.09 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3gxn h GLU 178 CO 0.11 -0.18 -0.09 -0.91 -1.16 0.00 0.00 179.01 176.78 3gxn h ASN 179 N -0.28 -0.21 -0.61 1.42 -0.26 -1.91 -2.09 115.58 111.64 3gxn h ASN 179 Ca 0.08 -0.18 0.12 0.00 -0.56 0.00 0.00 56.30 55.76 3gxn h ASN 179 Cb 0.50 0.05 -0.12 0.00 -1.06 0.00 0.00 38.32 37.70 3gxn h ASN 179 CO -0.62 0.07 -0.25 0.25 -1.06 0.00 0.00 177.43 175.82 3gxn h LEU 180 N -0.50 -0.87 -1.20 1.61 5.85 -1.23 0.22 115.31 119.19 3gxn h LEU 180 Ca -0.03 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3gxn h LEU 180 Cb 0.38 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3gxn h LEU 180 CO 0.04 -0.26 0.54 0.00 -0.34 0.00 0.00 178.44 178.42 3gxn h ALA 181 N 1.32 1.44 -0.19 1.25 0.00 -0.40 -1.91 119.26 120.77 3gxn h ALA 181 Ca 0.27 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 3gxn h ALA 181 Cb 0.52 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gxn h ALA 181 CO -0.67 0.51 -0.71 -0.44 0.00 0.00 0.00 179.25 177.94 3gxn h ASP 182 N 1.08 0.91 -0.05 0.00 3.32 -0.47 -2.96 116.42 118.26 3gxn h ASP 182 Ca 0.31 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3gxn h ASP 182 Cb -0.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 3gxn h ASP 182 CO -0.07 1.36 0.03 1.23 -1.72 0.00 0.00 179.24 180.07 3gxn h GLY 183 N 0.66 0.07 0.55 2.75 0.00 -0.18 0.32 103.07 107.25 3gxn h GLY 183 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3gxn h GLY 183 CO 0.15 0.03 -0.07 -0.97 0.00 0.00 0.00 176.54 175.68 3gxn h TYR 184 N 0.01 -0.15 0.31 5.60 0.05 -1.43 0.39 116.97 121.75 3gxn h TYR 184 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3gxn h TYR 184 Cb 0.06 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3gxn h TYR 184 CO -0.05 -0.11 -0.37 0.87 -1.05 0.00 0.00 178.16 177.44 3gxn h LYS 185 N -0.02 -0.70 -0.42 4.88 1.57 -1.34 -1.15 116.57 119.39 3gxn h LYS 185 Ca 0.11 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3gxn h LYS 185 Cb 0.18 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3gxn h LYS 185 CO -0.23 -0.47 0.23 1.25 -0.57 0.00 0.00 179.45 179.66 3gxn h HIS 186 N -0.73 0.42 -0.15 -1.35 2.76 0.34 0.11 115.15 116.56 3gxn h HIS 186 Ca -0.01 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3gxn h HIS 186 Cb 0.68 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 3gxn h HIS 186 CO -0.24 0.23 -0.06 1.98 -1.30 0.00 0.00 177.93 178.55 3gxn h MET 187 N 0.46 -0.03 -0.23 5.26 1.85 -0.24 -1.00 114.93 120.99 3gxn h MET 187 Ca 0.17 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.32 3gxn h MET 187 Cb 0.05 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.01 3gxn h MET 187 CO -0.10 -0.02 -0.27 1.03 -0.40 0.00 0.00 176.91 177.15 3gxn h SER 188 N -0.03 -0.87 -0.69 1.39 0.87 0.20 0.74 113.55 115.15 3gxn h SER 188 Ca 0.08 0.15 0.12 0.00 -1.23 0.00 0.00 61.79 60.91 3gxn h SER 188 Cb 0.15 0.40 -0.09 0.00 -0.44 0.00 0.00 62.40 62.42 3gxn h SER 188 CO -0.17 -0.31 0.26 -0.07 -0.53 0.00 0.00 176.83 176.02 3gxn h LEU 189 N -0.29 0.24 -0.18 2.23 3.38 -0.50 -2.93 115.31 117.27 3gxn h LEU 189 Ca 0.13 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gxn h LEU 189 Cb 0.49 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3gxn h LEU 189 CO -0.39 0.11 0.11 0.00 0.09 0.00 0.00 178.44 178.36 3gxn h ALA 190 N 1.50 0.22 -0.81 1.53 0.00 0.48 -1.99 119.26 120.18 3gxn h ALA 190 Ca 0.37 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.36 3gxn h ALA 190 Cb 0.52 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3gxn h ALA 190 CO -0.37 -0.27 0.44 -0.07 0.00 0.00 0.00 179.25 178.98 3gxn h LEU 191 N 0.21 0.58 -0.94 0.00 3.38 -1.16 0.17 115.31 117.54 3gxn h LEU 191 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gxn h LEU 191 Cb 0.02 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3gxn h LEU 191 CO -0.01 0.30 0.56 -1.13 0.09 0.00 0.00 178.44 178.25 3gxn h ASN 192 N 0.69 1.14 -0.46 -0.43 -0.73 -1.35 -3.03 115.58 111.41 3gxn h ASN 192 Ca 0.41 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.46 3gxn h ASN 192 Cb 0.48 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 3gxn h ASN 192 CO -0.30 0.89 0.12 -0.09 -0.37 0.00 0.00 177.43 177.67 3gxn h ARG 193 N 1.31 0.80 0.00 6.67 2.43 -0.00 0.10 114.38 125.68 3gxn h ARG 193 Ca 0.34 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3gxn h ARG 193 Cb -0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3gxn h ARG 193 CO -0.06 0.73 0.00 0.25 -1.51 0.00 0.00 179.97 179.38 3gxn n THR 194 N -4.27 0.97 -1.04 0.20 -2.24 -0.54 -4.84 114.28 102.52 3gxn n THR 194 Ca 0.04 0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 62.39 3gxn n THR 194 Cb 0.23 -1.57 -0.01 0.00 -2.10 0.00 0.00 70.33 66.89 3gxn n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxn n GLY 195 N -0.90 0.46 3.60 3.38 0.00 0.35 -4.99 105.19 107.09 3gxn n GLY 195 Ca -0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3gxn n GLY 195 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gxn s ARG 196 N -0.98 2.60 -0.03 1.61 3.52 -1.26 -5.07 118.95 119.34 3gxn s ARG 196 Ca 0.00 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 3gxn s ARG 196 Cb 0.00 -2.53 -0.07 0.00 -1.56 0.00 0.00 34.95 30.79 3gxn s ARG 196 CO 0.00 0.61 1.84 -1.12 -0.81 0.00 0.00 175.30 175.82 3gxn s SER 197 N -1.38 6.47 -0.14 -2.12 0.01 -1.26 -4.72 113.70 110.56 3gxn s SER 197 Ca 0.17 2.38 -0.04 0.00 1.31 0.00 0.00 55.95 59.77 3gxn s SER 197 Cb -0.11 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.66 3gxn s SER 197 CO 0.07 -1.07 0.22 -0.63 0.41 0.00 0.00 173.24 172.24 3gxn s ILE 198 N 4.59 -0.34 0.14 1.44 1.01 -1.26 -4.67 121.20 122.10 3gxn s ILE 198 Ca 0.82 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.34 3gxn s ILE 198 Cb -0.37 -0.47 -0.10 0.00 0.01 0.00 0.00 42.46 41.53 3gxn s ILE 198 CO 0.36 0.03 1.62 -0.69 0.00 0.00 0.00 174.94 176.25 3gxn s VAL 199 N 2.35 2.68 -0.27 2.92 1.01 -0.71 -4.84 120.40 123.54 3gxn s VAL 199 Ca 0.04 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3gxn s VAL 199 Cb -0.13 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.04 3gxn s VAL 199 CO -0.09 0.02 -0.07 -0.47 0.00 0.00 0.00 175.10 174.50 3gxn s TYR 200 N 1.66 3.22 -0.33 5.22 5.04 -1.26 -0.75 117.35 130.14 3gxn s TYR 200 Ca 0.72 -2.03 -0.02 0.00 -2.44 0.00 0.00 57.07 53.30 3gxn s TYR 200 Cb -0.43 -2.01 0.07 0.00 0.35 0.00 0.00 41.96 39.93 3gxn s TYR 200 CO 0.32 -0.83 0.06 0.45 -1.34 0.00 0.00 175.55 174.21 3gxn s SER 201 N 1.20 5.00 -0.03 4.32 0.15 -0.75 0.69 113.70 124.28 3gxn s SER 201 Ca -0.06 -1.48 0.02 0.00 0.70 0.00 0.00 55.95 55.13 3gxn s SER 201 Cb -0.19 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 3gxn s SER 201 CO -0.04 -0.34 -0.04 0.00 1.20 0.00 0.00 173.24 174.02 3gxn n GLU 203 N 1.75 2.46 -0.14 0.00 2.13 -0.71 -1.54 120.64 124.59 3gxn n GLU 203 Ca -0.16 -2.26 -0.04 0.00 0.66 0.00 0.00 57.16 55.36 3gxn n GLU 203 Cb 0.53 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 3gxn n GLU 203 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 3gxn n TRP 204 N 1.36 -0.15 -0.12 4.31 -0.00 -1.26 -2.38 117.44 119.20 3gxn n TRP 204 Ca 0.21 0.42 0.04 0.00 -0.00 0.00 0.00 57.50 58.17 3gxn n TRP 204 Cb 0.54 -0.46 0.36 0.00 -0.00 0.00 0.00 31.31 31.76 3gxn n TRP 204 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3gxn h PRO 205 N 0.00 0.71 -0.55 5.87 0.11 -1.84 -2.00 132.00 134.30 3gxn h PRO 205 Ca 0.05 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.14 3gxn h PRO 205 Cb 0.14 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 3gxn h PRO 205 CO -0.31 0.47 0.34 1.25 -0.21 0.00 0.00 178.00 179.53 3gxn h LEU 206 N 0.73 0.55 -0.95 2.35 5.85 -1.03 -0.88 115.31 121.93 3gxn h LEU 206 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3gxn h LEU 206 Cb 0.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3gxn h LEU 206 CO -0.06 0.39 0.00 1.88 -0.34 0.00 0.00 178.44 180.31 3gxn h TYR 207 N 0.67 0.00 -0.07 1.25 0.05 -1.33 -3.26 116.97 114.28 3gxn h TYR 207 Ca 0.22 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.79 3gxn h TYR 207 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3gxn h TYR 207 CO -0.06 0.00 -0.83 0.52 -1.05 0.00 0.00 178.16 176.74 3gxn h MET 208 N 0.00 0.54 -7.26 4.88 2.86 -0.95 -3.43 114.93 111.56 3gxn h MET 208 Ca 0.00 -0.49 -0.50 0.00 -2.06 0.00 0.00 59.70 56.65 3gxn h MET 208 Cb 0.59 0.12 0.07 0.00 0.06 0.00 0.00 31.60 32.44 3gxn h MET 208 CO 0.00 1.12 0.38 -1.58 1.06 0.00 0.00 176.91 177.89 3gxn s TRP 209 N -3.53 3.14 -0.46 -0.22 0.52 -1.17 -0.24 118.94 116.98 3gxn s TRP 209 Ca -0.07 1.45 -0.02 0.00 0.02 0.00 0.00 56.10 57.48 3gxn s TRP 209 Cb 0.09 -2.91 0.18 0.00 -1.15 0.00 0.00 33.47 29.68 3gxn s TRP 209 CO 0.87 -1.04 2.37 -0.35 0.02 0.00 0.00 176.95 178.82 3gxn n PRO 210 N -2.46 2.24 0.00 4.98 -0.04 -1.26 -4.95 135.00 133.52 3gxn n PRO 210 Ca 0.08 -2.25 0.10 0.00 -0.04 0.00 0.00 63.50 61.39 3gxn n PRO 210 Cb 0.53 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 3gxn n PRO 210 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gxn n PHE 211 N 0.39 0.00 0.00 0.54 3.72 0.66 -4.97 117.46 117.81 3gxn n PHE 211 Ca 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 3gxn n PHE 211 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 3gxn n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gxn n GLN 212 N -1.20 0.00 -1.23 -1.08 10.64 -1.16 -5.13 117.38 118.22 3gxn n GLN 212 Ca 0.05 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.86 3gxn n GLN 212 Cb 0.34 0.00 0.08 0.00 -0.86 0.00 0.00 30.24 29.79 3gxn n GLN 212 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3gxn n LYS 213 N -1.14 0.28 -3.36 2.61 4.01 -1.26 -4.14 118.16 115.15 3gxn n LYS 213 Ca 0.00 0.14 -0.33 0.00 -0.51 0.00 0.00 58.31 57.61 3gxn n LYS 213 Cb 0.00 -1.88 -0.06 0.00 -0.51 0.00 0.00 35.03 32.59 3gxn n LYS 213 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3gxn s PRO 214 N -2.89 3.87 -0.68 1.97 0.05 -1.26 -4.97 135.00 131.09 3gxn s PRO 214 Ca 0.66 0.38 -0.27 0.00 0.05 0.00 0.00 61.00 61.81 3gxn s PRO 214 Cb -0.34 -2.66 0.02 0.00 0.05 0.00 0.00 34.50 31.57 3gxn s PRO 214 CO 0.58 0.32 1.36 1.21 0.05 0.00 0.00 177.00 180.52 3gxn s ASN 215 N -2.23 6.08 0.28 6.66 3.84 -1.26 -4.89 114.94 123.43 3gxn s ASN 215 Ca 0.47 -0.17 0.03 0.00 0.21 0.00 0.00 52.86 53.40 3gxn s ASN 215 Cb -0.12 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.44 3gxn s ASN 215 CO 0.20 -1.84 1.71 1.88 -2.79 0.00 0.00 177.10 176.26 3gxn h TYR 216 N 10.72 0.47 -0.59 0.43 0.05 -1.96 -2.06 116.97 124.03 3gxn h TYR 216 Ca -0.27 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.38 3gxn h TYR 216 Cb 1.07 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.67 3gxn h TYR 216 CO 1.09 0.68 0.28 1.15 -1.05 0.00 0.00 178.16 180.31 3gxn h THR 217 N 0.36 1.19 0.12 -2.88 2.02 -1.95 0.17 112.91 111.94 3gxn h THR 217 Ca 0.05 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3gxn h THR 217 Cb 0.73 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3gxn h THR 217 CO 0.06 0.23 -0.06 -0.08 0.37 0.00 0.00 175.52 176.04 3gxn h GLU 218 N 0.83 -0.16 -0.38 6.66 4.81 -1.79 -2.97 114.58 121.58 3gxn h GLU 218 Ca 0.20 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3gxn h GLU 218 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3gxn h GLU 218 CO -0.03 -0.10 0.01 0.82 -0.73 0.00 0.00 179.01 178.98 3gxn h ILE 219 N -0.17 1.26 -0.74 2.32 2.04 -1.13 -1.19 117.51 119.90 3gxn h ILE 219 Ca -0.02 -0.97 0.18 0.00 1.00 0.00 0.00 64.86 65.05 3gxn h ILE 219 Cb 0.13 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3gxn h ILE 219 CO 0.03 0.33 0.51 -0.09 0.00 0.00 0.00 178.15 178.93 3gxn h ARG 220 N 0.50 0.24 0.00 2.37 2.43 -0.68 0.74 114.38 119.97 3gxn h ARG 220 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3gxn h ARG 220 Cb 0.45 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3gxn h ARG 220 CO 0.02 0.16 0.00 1.96 -1.51 0.00 0.00 179.97 180.60 3gxn h GLN 221 N 0.25 0.00 0.00 0.20 4.20 -1.05 5.08 115.11 123.79 3gxn h GLN 221 Ca 0.37 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.89 3gxn h GLN 221 Cb 1.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 3gxn h GLN 221 CO -0.08 0.00 -1.84 0.66 -0.67 0.00 0.00 178.83 176.90 3gxn n TYR 222 N -3.00 0.00 -4.87 2.96 4.01 -0.11 -4.20 117.16 111.96 3gxn n TYR 222 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3gxn n TYR 222 Cb 0.38 -0.57 -0.14 0.00 -0.31 0.00 0.00 39.34 38.70 3gxn n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gxn h ASN 224 N 4.76 0.00 -4.84 0.00 -0.26 0.09 -2.52 115.58 112.81 3gxn h ASN 224 Ca -0.47 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.38 3gxn h ASN 224 Cb 1.14 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.27 3gxn h ASN 224 CO 0.44 0.76 0.46 -1.38 -1.06 0.00 0.00 177.43 176.65 3gxn s HIS 225 N -2.99 -0.31 -0.06 1.19 -3.43 -1.14 -0.91 115.29 107.63 3gxn s HIS 225 Ca 0.01 0.13 -0.10 0.00 -0.80 0.00 0.00 55.06 54.30 3gxn s HIS 225 Cb 0.10 0.57 0.02 0.00 -1.43 0.00 0.00 32.58 31.84 3gxn s HIS 225 CO 0.78 -0.65 0.25 1.67 -2.00 0.00 0.00 174.74 174.79 3gxn s TRP 226 N -3.24 -0.21 -0.06 0.38 -2.14 -0.90 0.44 118.94 113.21 3gxn s TRP 226 Ca 0.06 0.46 -0.21 0.00 2.66 0.00 0.00 56.10 59.07 3gxn s TRP 226 Cb -0.01 0.07 -0.04 0.00 -3.10 0.00 0.00 33.47 30.39 3gxn s TRP 226 CO -0.07 -0.22 0.62 1.03 -2.66 0.00 0.00 176.95 175.65 3gxn s ARG 227 N -0.45 4.39 -0.13 3.25 1.81 -0.59 -0.43 118.95 126.79 3gxn s ARG 227 Ca -0.06 0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 54.68 3gxn s ARG 227 Cb -0.04 -3.42 -0.08 0.00 -0.45 0.00 0.00 34.95 30.97 3gxn s ARG 227 CO 0.01 0.16 -0.12 0.09 -0.68 0.00 0.00 175.30 174.76 3gxn n ASN 228 N 3.49 2.58 -4.70 0.23 3.02 -1.24 -2.04 115.26 116.61 3gxn n ASN 228 Ca -0.04 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.18 3gxn n ASN 228 Cb 0.51 -0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 3gxn n ASN 228 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxn s PHE 229 N -2.25 2.15 0.25 3.10 5.36 -1.26 -4.35 117.98 120.98 3gxn s PHE 229 Ca -0.17 -0.83 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 3gxn s PHE 229 Cb 0.05 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 41.05 3gxn s PHE 229 CO 0.28 0.33 0.00 0.00 -1.46 0.00 0.00 175.22 174.36 3gxn n ALA 230 N -1.13 0.00 -2.39 11.12 0.00 -1.26 -4.97 120.51 121.88 3gxn n ALA 230 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 3gxn n ALA 230 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 3gxn n ALA 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxn s ASP 231 N -0.54 6.48 0.14 0.00 1.01 -1.26 -4.96 116.67 117.54 3gxn s ASP 231 Ca 0.00 0.87 -0.15 0.00 0.71 0.00 0.00 52.55 53.98 3gxn s ASP 231 Cb 0.00 -2.21 -0.07 0.00 1.01 0.00 0.00 42.92 41.65 3gxn s ASP 231 CO 0.00 -0.27 0.56 -0.51 0.21 0.00 0.00 175.17 175.16 3gxn s ILE 232 N -2.18 4.83 0.42 0.77 2.07 -1.26 -5.04 121.20 120.80 3gxn s ILE 232 Ca 0.47 0.89 0.04 0.00 -1.41 0.00 0.00 60.65 60.64 3gxn s ILE 232 Cb -0.11 -3.76 -0.02 0.00 0.13 0.00 0.00 42.46 38.70 3gxn s ILE 232 CO 0.30 0.28 0.12 1.51 -1.91 0.00 0.00 174.94 175.24 3gxn s ASP 233 N -1.65 2.89 -0.89 4.50 3.84 -1.26 -4.97 116.67 119.14 3gxn s ASP 233 Ca 0.37 -1.67 -0.20 0.00 -0.00 0.00 0.00 52.55 51.04 3gxn s ASP 233 Cb -0.16 0.50 -0.12 0.00 -1.38 0.00 0.00 42.92 41.76 3gxn s ASP 233 CO 0.19 -0.92 1.98 -0.67 -0.00 0.00 0.00 175.17 175.75 3gxn n ASP 234 N -1.31 2.80 -3.73 2.11 -0.08 -1.26 -4.75 116.55 110.34 3gxn n ASP 234 Ca -0.07 -2.70 -0.12 0.00 -1.51 0.00 0.00 54.79 50.39 3gxn n ASP 234 Cb 0.65 -1.20 -0.07 0.00 2.34 0.00 0.00 41.12 42.84 3gxn n ASP 234 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3gxn s SER 235 N 4.66 -0.17 0.44 1.67 1.04 -1.26 -4.25 113.70 115.83 3gxn s SER 235 Ca 0.55 -0.12 0.15 0.00 0.48 0.00 0.00 55.95 57.02 3gxn s SER 235 Cb 0.14 0.37 0.99 0.00 0.10 0.00 0.00 66.02 67.62 3gxn s SER 235 CO 0.08 -0.62 1.96 -0.25 0.98 0.00 0.00 173.24 175.39 3gxn h TRP 236 N 3.19 0.00 -0.14 5.02 -0.00 -1.89 -2.28 115.95 119.86 3gxn h TRP 236 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.58 3gxn h TRP 236 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.35 3gxn h TRP 236 CO 0.44 0.22 0.09 -0.22 -0.00 0.00 0.00 178.44 178.97 3gxn h LYS 237 N 0.00 0.19 0.58 2.65 1.63 -1.94 0.32 116.57 119.99 3gxn h LYS 237 Ca -0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3gxn h LYS 237 Cb 0.40 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3gxn h LYS 237 CO 0.03 0.16 -0.48 1.03 -3.45 0.00 0.00 179.45 176.74 3gxn h SER 238 N 0.17 -1.28 -0.22 4.20 0.87 -1.79 -0.89 113.55 114.61 3gxn h SER 238 Ca 0.05 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3gxn h SER 238 Cb 0.01 0.41 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 3gxn h SER 238 CO -0.01 -0.67 -0.15 0.40 -0.53 0.00 0.00 176.83 175.88 3gxn h ILE 239 N -1.03 0.57 -0.77 2.23 2.04 -1.12 -0.04 117.51 119.40 3gxn h ILE 239 Ca -0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.96 3gxn h ILE 239 Cb 0.86 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 37.38 3gxn h ILE 239 CO -0.01 0.00 -0.06 0.11 0.00 0.00 0.00 178.15 178.19 3gxn h LYS 240 N -0.14 0.06 0.00 2.37 1.57 -0.17 -1.53 116.57 118.72 3gxn h LYS 240 Ca 0.12 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3gxn h LYS 240 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3gxn h LYS 240 CO -0.30 0.04 -0.73 0.66 -0.57 0.00 0.00 179.45 178.54 3gxn h SER 241 N 0.06 0.00 -0.33 0.86 4.64 0.40 0.12 113.55 119.30 3gxn h SER 241 Ca 0.41 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 3gxn h SER 241 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3gxn h SER 241 CO -0.72 0.73 -0.20 0.40 -0.87 0.00 0.00 176.83 176.17 3gxn h ILE 242 N 0.00 1.29 -0.30 0.95 2.04 -0.26 -2.26 117.51 118.96 3gxn h ILE 242 Ca -0.01 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 3gxn h ILE 242 Cb 1.32 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3gxn h ILE 242 CO 0.10 0.43 0.16 -0.07 0.00 0.00 0.00 178.15 178.77 3gxn h LEU 243 N 0.49 0.39 -2.05 1.44 3.38 -1.05 -1.09 115.31 116.82 3gxn h LEU 243 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3gxn h LEU 243 Cb 0.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3gxn h LEU 243 CO 0.06 0.37 -0.07 0.44 0.09 0.00 0.00 178.44 179.32 3gxn h ASP 244 N 0.37 0.00 0.01 -0.43 3.32 -0.66 -0.07 116.42 118.96 3gxn h ASP 244 Ca 0.11 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.89 3gxn h ASP 244 Cb 0.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3gxn h ASP 244 CO -0.02 0.07 -1.47 1.87 -1.72 0.00 0.00 179.24 177.98 3gxn n TRP 245 N -4.02 0.94 -0.34 4.55 -0.00 -0.86 -1.66 117.44 116.06 3gxn n TRP 245 Ca -0.03 0.38 0.13 0.00 -0.00 0.00 0.00 57.50 57.98 3gxn n TRP 245 Cb 0.16 -1.10 0.34 0.00 -0.00 0.00 0.00 31.31 30.71 3gxn n TRP 245 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 3gxn h THR 246 N -0.88 0.74 0.06 5.87 2.02 -1.15 -2.13 112.91 117.44 3gxn h THR 246 Ca -0.39 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3gxn h THR 246 Cb 1.41 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3gxn h THR 246 CO -0.20 0.14 -0.03 -1.28 0.37 0.00 0.00 175.52 174.52 3gxn h SER 247 N 0.75 -0.07 0.04 4.18 0.87 -1.07 -3.06 113.55 115.19 3gxn h SER 247 Ca 0.55 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3gxn h SER 247 Cb 0.87 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3gxn h SER 247 CO -0.33 0.01 0.00 0.33 -0.53 0.00 0.00 176.83 176.31 3gxn n PHE 248 N -5.09 0.00 -2.15 2.24 7.35 -0.66 -3.51 117.46 115.63 3gxn n PHE 248 Ca -0.08 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3gxn n PHE 248 Cb 0.09 -0.03 0.06 0.00 0.35 0.00 0.00 39.48 39.94 3gxn n PHE 248 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3gxn n ASN 249 N -1.03 1.00 -0.03 -2.13 3.02 -0.96 -4.94 115.26 110.19 3gxn n ASN 249 Ca 0.15 -2.39 -0.13 0.00 -0.03 0.00 0.00 54.58 52.18 3gxn n ASN 249 Cb 0.08 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 3gxn n ASN 249 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3gxn h GLN 250 N 0.73 0.10 -0.85 3.52 3.07 -1.59 -3.14 115.11 116.96 3gxn h GLN 250 Ca -0.13 -0.06 0.14 0.00 0.09 0.00 0.00 58.65 58.69 3gxn h GLN 250 Cb 1.59 0.01 -0.14 0.00 0.08 0.00 0.00 27.48 29.01 3gxn h GLN 250 CO 0.06 0.61 -0.37 0.93 0.09 0.00 0.00 178.83 180.15 3gxn h GLU 251 N -0.40 -0.06 -0.99 0.06 3.07 -1.92 0.69 114.58 115.04 3gxn h GLU 251 Ca 0.00 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 59.21 3gxn h GLU 251 Cb 0.60 0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 28.35 3gxn h GLU 251 CO 0.01 -0.04 0.30 0.00 -1.40 0.00 0.00 179.01 177.89 3gxn h ARG 252 N -0.06 0.04 0.00 2.33 3.08 -1.95 -3.35 114.38 114.46 3gxn h ARG 252 Ca 0.31 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3gxn h ARG 252 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gxn h ARG 252 CO -0.88 0.02 -0.65 0.44 -1.07 0.00 0.00 179.97 177.84 3gxn n ILE 253 N -5.34 0.00 0.02 2.04 -5.35 0.21 -4.75 119.36 106.19 3gxn n ILE 253 Ca 0.30 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.72 3gxn n ILE 253 Cb 1.00 0.14 0.12 0.00 -1.74 0.00 0.00 39.64 39.17 3gxn n ILE 253 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3gxn h VAL 254 N 0.00 1.32 -0.25 7.28 3.04 -0.82 -3.22 116.25 123.59 3gxn h VAL 254 Ca 0.00 -1.65 -0.19 0.00 -1.01 0.00 0.00 66.70 63.85 3gxn h VAL 254 Cb 0.12 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 3gxn h VAL 254 CO 0.00 0.51 -0.57 -0.78 -1.01 0.00 0.00 177.57 175.72 3gxn h ASP 255 N 0.37 0.95 0.56 3.17 -0.00 -1.76 -3.23 116.42 116.49 3gxn h ASP 255 Ca 0.02 -0.55 -0.06 0.00 -0.00 0.00 0.00 57.03 56.44 3gxn h ASP 255 Cb 0.94 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.99 3gxn h ASP 255 CO 0.08 1.33 -0.29 -0.37 -0.00 0.00 0.00 179.24 179.98 3gxn h VAL 256 N 0.61 0.90 -4.03 2.25 -1.51 -1.85 -3.45 116.25 109.15 3gxn h VAL 256 Ca 0.00 -1.14 -0.52 0.00 -1.23 0.00 0.00 66.70 63.81 3gxn h VAL 256 Cb 1.19 1.68 0.09 0.00 -2.13 0.00 0.00 31.29 32.12 3gxn h VAL 256 CO 0.13 0.29 0.52 0.00 -1.23 0.00 0.00 177.57 177.27 3gxn s ALA 257 N -3.96 2.86 0.00 5.19 0.00 -1.22 -4.96 121.76 119.66 3gxn s ALA 257 Ca -0.02 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3gxn s ALA 257 Cb 0.13 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3gxn s ALA 257 CO 0.67 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3gxn n GLY 258 N 0.53 0.35 3.61 0.00 0.00 -0.84 -4.63 105.19 104.21 3gxn n GLY 258 Ca 0.09 -1.03 -0.48 0.00 0.00 0.00 0.00 46.02 44.60 3gxn n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gxn n PRO 259 N -0.46 1.45 -0.31 1.61 -0.02 -1.26 -0.99 135.00 135.01 3gxn n PRO 259 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3gxn n PRO 259 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3gxn n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxn n GLY 260 N 2.33 1.87 3.00 -1.23 0.00 -0.74 -4.91 105.19 105.50 3gxn n GLY 260 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3gxn n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxn s GLY 261 N -1.93 -0.80 0.12 -0.02 0.00 -0.16 -2.87 107.32 101.66 3gxn s GLY 261 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.38 3gxn s GLY 261 CO 0.00 3.24 -0.03 -0.98 0.00 0.00 0.00 173.10 175.34 3gxn s TRP 262 N 2.65 2.87 0.19 1.90 0.52 -0.09 -1.98 118.94 124.99 3gxn s TRP 262 Ca 0.10 -0.10 -0.30 0.00 0.02 0.00 0.00 56.10 55.82 3gxn s TRP 262 Cb -0.12 -1.45 -0.08 0.00 -1.15 0.00 0.00 33.47 30.67 3gxn s TRP 262 CO -0.28 0.48 1.13 -0.80 0.02 0.00 0.00 176.95 177.50 3gxn s ASN 263 N -2.50 7.22 -0.35 2.95 0.01 -1.26 -2.11 114.94 118.90 3gxn s ASN 263 Ca 0.25 2.14 -0.00 0.00 -0.71 0.00 0.00 52.86 54.54 3gxn s ASN 263 Cb -0.11 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.03 3gxn s ASN 263 CO 0.17 -0.26 0.08 -0.62 -1.51 0.00 0.00 177.10 174.97 3gxn s ASP 264 N -0.10 4.96 0.00 -1.22 2.15 0.43 -4.23 116.67 118.66 3gxn s ASP 264 Ca 0.50 -1.80 0.20 0.00 0.43 0.00 0.00 52.55 51.87 3gxn s ASP 264 Cb -0.30 -1.72 0.76 0.00 -0.30 0.00 0.00 42.92 41.35 3gxn s ASP 264 CO 0.36 -0.39 1.55 -0.81 -0.17 0.00 0.00 175.17 175.70 3gxn n PRO 265 N 4.50 1.65 0.00 4.34 -0.04 -1.26 -3.64 135.00 140.55 3gxn n PRO 265 Ca -0.05 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 3gxn n PRO 265 Cb 0.42 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3gxn n PRO 265 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3gxn n ASP 266 N 0.21 0.00 -4.71 3.54 -0.08 -1.26 -4.88 116.55 109.36 3gxn n ASP 266 Ca 0.16 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.13 3gxn n ASP 266 Cb 0.30 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.89 3gxn n ASP 266 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3gxn s MET 267 N -1.23 1.40 -0.29 -0.67 -1.94 -1.26 -4.84 119.30 110.46 3gxn s MET 267 Ca 0.00 1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 54.78 3gxn s MET 267 Cb 0.00 -1.81 -0.00 0.00 2.01 0.00 0.00 34.83 35.03 3gxn s MET 267 CO 0.00 -2.20 0.78 -0.51 -0.01 0.00 0.00 175.02 173.08 3gxn s LEU 268 N -6.24 4.09 0.00 -0.03 1.43 0.38 -4.91 118.68 113.39 3gxn s LEU 268 Ca 0.63 0.71 0.22 0.00 -1.03 0.00 0.00 54.13 54.67 3gxn s LEU 268 Cb -0.19 -3.07 0.55 0.00 0.03 0.00 0.00 46.19 43.52 3gxn s LEU 268 CO 0.57 -0.58 1.48 1.33 0.23 0.00 0.00 176.35 179.38 3gxn n VAL 269 N 5.48 0.75 -1.83 -1.59 0.24 -1.26 -1.53 118.33 118.58 3gxn n VAL 269 Ca 0.04 -0.85 -0.41 0.00 -2.04 0.00 0.00 64.34 61.07 3gxn n VAL 269 Cb 0.48 0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 33.52 3gxn n VAL 269 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gxn s ILE 270 N -1.25 2.17 0.00 1.34 1.01 -1.26 -3.11 121.20 120.10 3gxn s ILE 270 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3gxn s ILE 270 Cb 0.24 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3gxn s ILE 270 CO 0.32 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3gxn n GLY 271 N 1.63 1.17 0.00 6.18 0.00 -1.26 -4.83 105.19 108.08 3gxn n GLY 271 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gxn n GLY 271 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gxn n ASN 272 N 0.00 0.00 0.00 1.61 3.02 -1.18 -4.62 115.26 114.08 3gxn n ASN 272 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3gxn n ASN 272 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3gxn n ASN 272 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gxn n PHE 273 N 0.00 0.00 0.09 3.10 3.72 -1.26 -4.87 117.46 118.24 3gxn n PHE 273 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3gxn n PHE 273 Cb 0.00 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 3gxn n PHE 273 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gxn h GLY 274 N 0.00 0.42 -4.99 1.37 0.00 -1.92 -3.47 103.07 94.48 3gxn h GLY 274 Ca 0.00 -1.07 -0.63 0.00 0.00 0.00 0.00 47.33 45.62 3gxn h GLY 274 CO 0.00 0.94 -0.52 1.08 0.00 0.00 0.00 176.54 178.03 3gxn s LEU 275 N -7.23 4.21 0.91 3.11 1.43 -1.26 -4.53 118.68 115.31 3gxn s LEU 275 Ca -0.11 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 3gxn s LEU 275 Cb 0.06 -2.67 0.18 0.00 0.03 0.00 0.00 46.19 43.79 3gxn s LEU 275 CO 0.88 0.22 1.26 -0.94 0.23 0.00 0.00 176.35 177.99 3gxn s SER 276 N -2.18 3.44 0.07 2.29 1.04 -1.26 -4.78 113.70 112.33 3gxn s SER 276 Ca 0.30 0.21 -0.37 0.00 0.48 0.00 0.00 55.95 56.57 3gxn s SER 276 Cb -0.13 -0.35 -0.19 0.00 0.10 0.00 0.00 66.02 65.45 3gxn s SER 276 CO 0.22 -2.52 1.57 -0.25 0.98 0.00 0.00 173.24 173.25 3gxn h TRP 277 N -1.41 -1.26 -0.13 5.02 2.91 -1.99 0.11 115.95 119.20 3gxn h TRP 277 Ca -0.43 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.61 3gxn h TRP 277 Cb 1.25 0.45 -0.01 0.00 -0.51 0.00 0.00 29.16 30.34 3gxn h TRP 277 CO -0.87 -0.72 0.11 -0.91 -1.03 0.00 0.00 178.44 175.03 3gxn h ASN 278 N -1.19 0.00 -0.01 2.65 2.35 -1.91 0.21 115.58 117.67 3gxn h ASN 278 Ca -0.11 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.41 3gxn h ASN 278 Cb 0.95 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.33 3gxn h ASN 278 CO 0.12 0.00 -0.88 1.56 -1.65 0.00 0.00 177.43 176.58 3gxn h GLN 279 N 0.00 0.69 -0.65 0.81 4.20 -1.50 -1.00 115.11 117.66 3gxn h GLN 279 Ca 0.06 -0.63 -0.05 0.00 0.06 0.00 0.00 58.65 58.08 3gxn h GLN 279 Cb 0.28 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3gxn h GLN 279 CO -0.00 1.24 0.20 1.96 -0.67 0.00 0.00 178.83 181.55 3gxn h GLN 280 N 0.44 0.99 -0.46 1.46 4.20 0.19 -1.55 115.11 120.37 3gxn h GLN 280 Ca -0.08 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 3gxn h GLN 280 Cb 1.51 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 3gxn h GLN 280 CO 0.17 0.85 0.02 -0.39 -0.67 0.00 0.00 178.83 178.81 3gxn h VAL 281 N 0.95 1.26 -0.98 -0.54 -1.51 -0.71 -0.96 116.25 113.76 3gxn h VAL 281 Ca 0.21 -1.02 0.27 0.00 -1.23 0.00 0.00 66.70 64.93 3gxn h VAL 281 Cb 0.28 1.01 -0.13 0.00 -2.13 0.00 0.00 31.29 30.31 3gxn h VAL 281 CO -0.01 0.35 0.54 0.74 -1.23 0.00 0.00 177.57 177.97 3gxn h THR 282 N 0.66 0.44 0.11 7.19 2.02 -0.79 0.21 112.91 122.74 3gxn h THR 282 Ca 0.13 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3gxn h THR 282 Cb 0.48 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3gxn h THR 282 CO 0.02 0.08 -0.05 -0.61 0.37 0.00 0.00 175.52 175.33 3gxn h GLN 283 N 0.45 -0.14 -0.57 6.66 4.15 -0.18 -1.82 115.11 123.66 3gxn h GLN 283 Ca 0.66 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 60.02 3gxn h GLN 283 Cb 1.34 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 3gxn h GLN 283 CO -0.54 0.32 0.10 1.98 -1.93 0.00 0.00 178.83 178.76 3gxn h MET 284 N -0.66 0.95 0.38 1.69 4.05 -0.64 0.29 114.93 120.99 3gxn h MET 284 Ca -0.01 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 3gxn h MET 284 Cb 0.52 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3gxn h MET 284 CO 0.02 0.90 -0.19 0.00 0.23 0.00 0.00 176.91 177.88 3gxn h ALA 285 N 1.01 -0.52 0.00 0.39 0.00 -0.67 -2.53 119.26 116.94 3gxn h ALA 285 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gxn h ALA 285 Cb 0.41 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gxn h ALA 285 CO 0.01 -0.79 -0.28 -0.07 0.00 0.00 0.00 179.25 178.12 3gxn h LEU 286 N -0.52 0.00 -1.23 0.00 4.07 -0.63 -1.11 115.31 115.88 3gxn h LEU 286 Ca -0.05 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 3gxn h LEU 286 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3gxn h LEU 286 CO 0.08 0.28 -0.34 -0.50 -1.08 0.00 0.00 178.44 176.88 3gxn h TRP 287 N 0.00 0.00 0.15 1.13 -0.00 -0.43 -1.43 115.95 115.37 3gxn h TRP 287 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 3gxn h TRP 287 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.96 3gxn h TRP 287 CO 0.00 0.34 -0.07 0.00 -0.00 0.00 0.00 178.44 178.71 3gxn h ALA 288 N 1.66 -0.20 -0.92 1.49 0.00 -0.77 -2.91 119.26 117.61 3gxn h ALA 288 Ca -0.00 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 54.93 3gxn h ALA 288 Cb 0.71 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 3gxn h ALA 288 CO 0.04 -0.29 0.35 0.82 0.00 0.00 0.00 179.25 180.17 3gxn h ILE 289 N -0.84 0.32 0.00 0.00 1.08 -1.44 -1.89 117.51 114.74 3gxn h ILE 289 Ca -0.02 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3gxn h ILE 289 Cb 0.53 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3gxn h ILE 289 CO 0.03 0.05 0.00 0.23 -0.69 0.00 0.00 178.15 177.77 3gxn n MET 290 N -5.16 0.43 -4.24 2.37 2.81 -0.54 -1.45 117.12 111.34 3gxn n MET 290 Ca 0.25 0.06 -0.32 0.00 -1.81 0.00 0.00 57.70 55.88 3gxn n MET 290 Cb 0.77 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.71 3gxn n MET 290 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gxn n ALA 291 N -1.16 -1.83 -2.42 3.04 0.00 -0.71 -4.73 120.51 112.69 3gxn n ALA 291 Ca 0.12 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 3gxn n ALA 291 Cb 0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 3gxn n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxn s ALA 292 N -4.02 3.55 0.68 0.00 0.00 -1.10 -4.57 121.76 116.30 3gxn s ALA 292 Ca 0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 3gxn s ALA 292 Cb -0.10 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.61 3gxn s ALA 292 CO 0.97 0.29 1.20 -2.14 0.00 0.00 0.00 175.76 176.08 3gxn s PRO 293 N -3.34 2.45 -0.52 0.00 0.02 -1.26 -4.79 135.00 127.57 3gxn s PRO 293 Ca 0.46 1.73 0.04 0.00 0.02 0.00 0.00 61.00 63.25 3gxn s PRO 293 Cb -0.11 -1.87 0.13 0.00 0.02 0.00 0.00 34.50 32.67 3gxn s PRO 293 CO 0.27 -1.59 0.27 -0.51 -0.33 0.00 0.00 177.00 175.11 3gxn s LEU 294 N -4.82 4.07 -0.30 -5.54 1.43 0.11 -4.91 118.68 108.73 3gxn s LEU 294 Ca 0.74 -3.00 -0.07 0.00 -1.03 0.00 0.00 54.13 50.77 3gxn s LEU 294 Cb -0.28 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3gxn s LEU 294 CO 0.42 -0.23 0.09 -0.36 0.23 0.00 0.00 176.35 176.50 3gxn s PHE 295 N -0.25 3.15 0.30 0.29 0.40 -1.26 -0.49 117.98 120.12 3gxn s PHE 295 Ca 0.18 -0.90 -0.28 0.00 -0.60 0.00 0.00 56.93 55.33 3gxn s PHE 295 Cb -0.25 -2.27 -0.09 0.00 0.51 0.00 0.00 43.02 40.92 3gxn s PHE 295 CO -0.01 -0.55 1.03 -1.64 0.70 0.00 0.00 175.22 174.75 3gxn s MET 296 N 1.52 4.61 -0.45 0.44 -1.94 -0.63 -0.47 119.30 122.38 3gxn s MET 296 Ca 0.03 1.62 0.04 0.00 -1.71 0.00 0.00 55.69 55.67 3gxn s MET 296 Cb -0.17 -3.06 0.12 0.00 2.01 0.00 0.00 34.83 33.73 3gxn s MET 296 CO 0.03 0.24 0.18 0.45 -0.01 0.00 0.00 175.02 175.91 3gxn s SER 297 N -1.16 4.40 0.36 3.03 0.15 -0.58 -0.92 113.70 118.97 3gxn s SER 297 Ca 0.47 -2.66 -0.17 0.00 0.70 0.00 0.00 55.95 54.29 3gxn s SER 297 Cb -0.27 -1.56 0.05 0.00 -1.71 0.00 0.00 66.02 62.52 3gxn s SER 297 CO 0.34 -0.29 0.77 0.54 1.20 0.00 0.00 173.24 175.80 3gxn s ASN 298 N 0.21 -0.05 -0.56 5.45 2.20 -1.26 -4.14 114.94 116.79 3gxn s ASN 298 Ca 0.15 -1.02 -0.12 0.00 -0.94 0.00 0.00 52.86 50.93 3gxn s ASN 298 Cb -0.23 0.82 0.14 0.00 -2.00 0.00 0.00 41.25 39.98 3gxn s ASN 298 CO -0.03 -1.60 0.47 -0.62 -2.94 0.00 0.00 177.10 172.37 3gxn s ASP 299 N -3.04 5.99 0.59 3.54 -1.08 -1.26 -4.92 116.67 116.49 3gxn s ASP 299 Ca 0.15 -2.06 0.33 0.00 -0.52 0.00 0.00 52.55 50.44 3gxn s ASP 299 Cb -0.05 -2.09 1.79 0.00 -1.46 0.00 0.00 42.92 41.10 3gxn s ASP 299 CO 0.10 -0.71 2.00 -0.07 0.52 0.00 0.00 175.17 177.02 3gxn h LEU 300 N 8.38 0.00 -0.00 -1.34 4.07 -1.99 -1.14 115.31 123.29 3gxn h LEU 300 Ca -0.18 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.62 3gxn h LEU 300 Cb 1.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 3gxn h LEU 300 CO 0.89 0.00 -0.76 0.03 -1.08 0.00 0.00 178.44 177.52 3gxn h ARG 301 N 0.00 0.00 -3.22 1.13 3.08 -1.96 -3.40 114.38 110.00 3gxn h ARG 301 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3gxn h ARG 301 Cb 0.32 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.97 3gxn h ARG 301 CO 0.00 0.76 -0.77 -1.01 -1.07 0.00 0.00 179.97 177.88 3gxn s HIS 302 N -2.83 0.96 -0.07 3.04 3.76 -0.43 -5.11 115.29 114.61 3gxn s HIS 302 Ca 0.02 -1.17 -0.03 0.00 -0.15 0.00 0.00 55.06 53.74 3gxn s HIS 302 Cb 0.09 -1.22 0.04 0.00 1.11 0.00 0.00 32.58 32.60 3gxn s HIS 302 CO 0.78 -0.79 0.13 -1.50 -0.85 0.00 0.00 174.74 172.51 3gxn s ILE 303 N 1.88 -0.17 0.51 0.60 2.07 -1.24 -4.60 121.20 120.25 3gxn s ILE 303 Ca 0.07 0.32 -0.19 0.00 -1.41 0.00 0.00 60.65 59.44 3gxn s ILE 303 Cb -0.17 -0.24 -0.12 0.00 0.13 0.00 0.00 42.46 42.06 3gxn s ILE 303 CO -0.26 0.13 0.30 -1.54 -1.91 0.00 0.00 174.94 171.66 3gxn n SER 304 N 4.97 -1.95 0.15 4.50 3.41 -1.26 -4.80 113.62 118.65 3gxn n SER 304 Ca -0.11 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3gxn n SER 304 Cb 0.50 -1.04 0.20 0.00 -0.26 0.00 0.00 64.21 63.61 3gxn n SER 304 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3gxn h PRO 305 N 0.27 0.00 0.00 4.33 0.14 -2.01 -2.31 132.00 132.43 3gxn h PRO 305 Ca -0.43 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.71 3gxn h PRO 305 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.56 3gxn h PRO 305 CO 0.46 0.00 0.00 -0.56 0.14 0.00 0.00 178.00 178.04 3gxn h GLN 306 N 0.00 0.00 -0.04 0.86 -0.00 -2.00 -1.97 115.11 111.96 3gxn h GLN 306 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 3gxn h GLN 306 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 3gxn h GLN 306 CO 0.00 0.00 -0.86 0.00 -0.00 0.00 0.00 178.83 177.97 3gxn h ALA 307 N 2.31 0.41 -0.40 0.06 0.00 -1.77 -2.74 119.26 117.12 3gxn h ALA 307 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.27 3gxn h ALA 307 Cb 0.84 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3gxn h ALA 307 CO 0.00 0.77 0.22 -0.22 0.00 0.00 0.00 179.25 180.02 3gxn h LYS 308 N 0.30 0.44 -0.08 0.00 3.64 -1.31 -1.38 116.57 118.18 3gxn h LYS 308 Ca -0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3gxn h LYS 308 Cb 1.48 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 3gxn h LYS 308 CO 0.15 0.29 -0.11 0.00 -2.27 0.00 0.00 179.45 177.52 3gxn h ALA 309 N 1.19 -0.38 -0.37 5.00 0.00 -1.32 -2.38 119.26 121.00 3gxn h ALA 309 Ca 0.17 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gxn h ALA 309 Cb 0.04 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3gxn h ALA 309 CO -0.09 -0.43 -0.30 1.25 0.00 0.00 0.00 179.25 179.67 3gxn h LEU 310 N -0.07 -1.06 -0.90 0.00 6.46 -1.45 -1.50 115.31 116.79 3gxn h LEU 310 Ca 0.01 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3gxn h LEU 310 Cb 0.11 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3gxn h LEU 310 CO -0.11 -0.17 0.25 0.18 -0.62 0.00 0.00 178.44 177.97 3gxn n LEU 311 N -4.14 0.35 -0.07 2.25 4.77 -0.53 -0.80 117.00 118.83 3gxn n LEU 311 Ca -0.00 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 3gxn n LEU 311 Cb 0.16 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 3gxn n LEU 311 CO -0.04 -0.69 0.32 0.00 -1.33 0.00 0.00 177.39 175.65 3gxn n GLN 312 N -2.04 -0.09 -1.56 3.23 6.02 -0.85 -5.02 117.38 117.07 3gxn n GLN 312 Ca -0.01 -0.78 -0.53 0.00 -0.01 0.00 0.00 57.00 55.67 3gxn n GLN 312 Cb 0.28 -1.03 -0.07 0.00 1.02 0.00 0.00 30.24 30.43 3gxn n GLN 312 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3gxn n ASP 313 N 0.01 2.32 0.42 1.08 -0.08 0.02 -4.86 116.55 115.46 3gxn n ASP 313 Ca 0.01 0.74 -0.19 0.00 -1.51 0.00 0.00 54.79 53.84 3gxn n ASP 313 Cb 0.08 -1.21 -0.10 0.00 2.34 0.00 0.00 41.12 42.24 3gxn n ASP 313 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3gxn h LYS 314 N 9.91 -1.11 -0.42 -0.67 6.56 -1.90 0.33 116.57 129.27 3gxn h LYS 314 Ca -0.36 0.08 0.06 0.00 -1.06 0.00 0.00 60.65 59.36 3gxn h LYS 314 Cb 1.32 0.25 -0.05 0.00 -0.57 0.00 0.00 32.23 33.18 3gxn h LYS 314 CO 0.99 -0.74 0.13 -0.44 -2.06 0.00 0.00 179.45 177.33 3gxn h ASP 315 N -1.15 0.11 -0.16 0.86 3.32 -1.97 0.45 116.42 117.87 3gxn h ASP 315 Ca -0.10 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3gxn h ASP 315 Cb 0.92 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3gxn h ASP 315 CO 0.11 0.10 0.09 0.58 -1.72 0.00 0.00 179.24 178.40 3gxn h VAL 316 N 0.28 1.11 -0.43 -1.35 2.07 -1.87 -2.37 116.25 113.69 3gxn h VAL 316 Ca 0.20 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3gxn h VAL 316 Cb 0.20 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3gxn h VAL 316 CO -0.22 0.10 0.19 0.40 0.02 0.00 0.00 177.57 178.07 3gxn h ILE 317 N 0.15 0.92 -0.97 4.57 2.04 0.53 -0.95 117.51 123.81 3gxn h ILE 317 Ca 0.06 -0.13 0.27 0.00 1.00 0.00 0.00 64.86 66.05 3gxn h ILE 317 Cb 0.09 0.50 -0.14 0.00 -0.74 0.00 0.00 36.82 36.54 3gxn h ILE 317 CO -0.01 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.72 3gxn h ALA 318 N 1.25 1.73 -0.08 1.87 0.00 0.10 0.11 119.26 124.23 3gxn h ALA 318 Ca 0.19 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gxn h ALA 318 Cb 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gxn h ALA 318 CO -0.16 -0.42 0.04 0.82 0.00 0.00 0.00 179.25 179.53 3gxn h ILE 319 N 0.41 1.08 -0.96 0.00 2.04 -0.64 -0.89 117.51 118.55 3gxn h ILE 319 Ca 0.65 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 66.38 3gxn h ILE 319 Cb 1.35 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 3gxn h ILE 319 CO -0.56 0.07 0.60 -1.13 0.00 0.00 0.00 178.15 177.13 3gxn h ASN 320 N 0.04 0.93 -0.34 1.72 -0.73 -0.98 -2.56 115.58 113.66 3gxn h ASN 320 Ca 0.03 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3gxn h ASN 320 Cb 0.07 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.49 3gxn h ASN 320 CO -0.00 0.56 0.00 0.00 -0.37 0.00 0.00 177.43 177.62 3gxn n GLN 321 N -4.58 1.94 -1.67 6.67 1.13 0.22 -4.66 117.38 116.42 3gxn n GLN 321 Ca 0.16 -1.29 -0.46 0.00 -1.94 0.00 0.00 57.00 53.46 3gxn n GLN 321 Cb 0.24 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.20 3gxn n GLN 321 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3gxn n ASP 322 N 0.50 3.25 0.20 1.08 2.03 -0.39 -4.76 116.55 118.45 3gxn n ASP 322 Ca 0.12 1.05 0.14 0.00 0.52 0.00 0.00 54.79 56.62 3gxn n ASP 322 Cb 0.34 -1.42 0.68 0.00 -0.72 0.00 0.00 41.12 40.00 3gxn n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gxn h PRO 323 N 6.90 0.00 0.30 -0.67 0.13 -1.92 -2.33 132.00 134.41 3gxn h PRO 323 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3gxn h PRO 323 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3gxn h PRO 323 CO 0.91 0.00 -0.14 1.25 -0.23 0.00 0.00 178.00 179.78 3gxn h LEU 324 N 0.00 -0.34 0.00 1.56 6.46 -1.94 -3.48 115.31 117.57 3gxn h LEU 324 Ca 0.00 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3gxn h LEU 324 Cb 0.18 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3gxn h LEU 324 CO 0.00 0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.45 3gxn n GLY 325 N -0.32 0.62 3.68 3.75 0.00 -0.88 -4.70 105.19 107.35 3gxn n GLY 325 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3gxn n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxn s LYS 326 N -0.88 4.24 0.09 1.61 -0.14 -1.26 -4.13 119.74 119.27 3gxn s LYS 326 Ca 0.00 2.10 -0.30 0.00 -1.36 0.00 0.00 55.97 56.41 3gxn s LYS 326 Cb 0.00 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.42 3gxn s LYS 326 CO 0.00 -0.68 1.00 -1.14 -0.76 0.00 0.00 175.35 173.77 3gxn s GLN 327 N 2.85 4.64 1.32 1.68 0.74 -1.26 -4.54 119.66 125.09 3gxn s GLN 327 Ca 0.68 1.50 -0.22 0.00 0.05 0.00 0.00 55.36 57.38 3gxn s GLN 327 Cb -0.34 -3.38 0.33 0.00 1.10 0.00 0.00 33.01 30.73 3gxn s GLN 327 CO 0.28 0.11 1.04 0.20 -0.55 0.00 0.00 175.29 176.37 3gxn s GLY 328 N 0.26 1.52 0.22 2.59 0.00 -0.53 -4.84 107.32 106.54 3gxn s GLY 328 Ca 0.49 -0.98 -0.23 0.00 0.00 0.00 0.00 44.72 44.00 3gxn s GLY 328 CO 0.30 -0.01 0.81 -2.52 0.00 0.00 0.00 173.10 171.68 3gxn s TYR 329 N -2.72 -0.18 -0.19 1.90 -0.85 -0.54 -4.83 117.35 109.95 3gxn s TYR 329 Ca 0.71 -0.21 -0.23 0.00 -0.52 0.00 0.00 57.07 56.81 3gxn s TYR 329 Cb -0.10 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 3gxn s TYR 329 CO 0.56 -1.06 0.76 -1.14 -1.52 0.00 0.00 175.55 173.15 3gxn s GLN 330 N -3.66 4.25 -0.16 -3.49 0.74 -1.26 -1.84 119.66 114.23 3gxn s GLN 330 Ca 0.11 0.86 -0.21 0.00 0.05 0.00 0.00 55.36 56.17 3gxn s GLN 330 Cb -0.04 -3.59 -0.18 0.00 1.10 0.00 0.00 33.01 30.30 3gxn s GLN 330 CO 0.04 -0.32 0.38 1.25 -0.55 0.00 0.00 175.29 176.09 3gxn h LEU 331 N 8.41 0.00 -8.96 3.68 5.85 0.13 -3.48 115.31 120.94 3gxn h LEU 331 Ca -0.29 -0.60 -0.40 0.00 0.84 0.00 0.00 57.88 57.43 3gxn h LEU 331 Cb 1.13 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.02 3gxn h LEU 331 CO 0.82 1.11 -0.64 -0.60 -0.34 0.00 0.00 178.44 178.78 3gxn s ARG 332 N -2.20 1.41 -0.26 1.25 3.52 -1.03 -4.97 118.95 116.68 3gxn s ARG 332 Ca -0.20 -1.73 -0.26 0.00 -0.13 0.00 0.00 55.73 53.41 3gxn s ARG 332 Cb 0.01 -0.64 0.11 0.00 -1.56 0.00 0.00 34.95 32.87 3gxn s ARG 332 CO 0.53 -0.13 0.93 -1.14 -0.81 0.00 0.00 175.30 174.68 3gxn s GLN 333 N -3.88 0.63 0.00 5.12 2.00 -1.26 -1.17 119.66 121.09 3gxn s GLN 333 Ca 0.31 0.64 0.00 0.00 -2.00 0.00 0.00 55.36 54.31 3gxn s GLN 333 Cb 0.06 0.31 0.00 0.00 0.80 0.00 0.00 33.01 34.18 3gxn s GLN 333 CO 0.11 -0.10 0.00 0.41 -0.50 0.00 0.00 175.29 175.21 3gxn n GLY 334 N 2.13 2.52 4.01 2.59 0.00 -0.77 -4.97 105.19 110.70 3gxn n GLY 334 Ca -0.13 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 3gxn n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxn n ASP 335 N 0.00 -1.78 -3.65 1.61 2.03 -1.26 -2.48 116.55 111.02 3gxn n ASP 335 Ca 0.00 -0.97 -0.26 0.00 0.52 0.00 0.00 54.79 54.08 3gxn n ASP 335 Cb 0.00 -3.14 -0.03 0.00 -0.72 0.00 0.00 41.12 37.23 3gxn n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gxn n ASN 336 N -2.88 -2.57 -4.30 1.67 3.02 -1.26 -4.94 115.26 104.00 3gxn n ASN 336 Ca -0.16 -0.55 -0.22 0.00 -0.03 0.00 0.00 54.58 53.63 3gxn n ASN 336 Cb 0.61 -2.19 -0.12 0.00 -0.61 0.00 0.00 39.78 37.48 3gxn n ASN 336 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gxn s PHE 337 N -2.88 1.72 -0.01 3.10 0.40 -1.04 -0.07 117.98 119.19 3gxn s PHE 337 Ca 0.49 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 3gxn s PHE 337 Cb -0.28 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 3gxn s PHE 337 CO 0.61 0.26 -0.13 -1.21 0.70 0.00 0.00 175.22 175.44 3gxn s GLU 338 N -2.52 1.12 -0.15 0.44 2.02 -0.60 -1.84 118.70 117.18 3gxn s GLU 338 Ca 0.12 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 3gxn s GLU 338 Cb -0.07 -1.07 -0.01 0.00 0.10 0.00 0.00 34.13 33.09 3gxn s GLU 338 CO 0.05 0.26 -0.13 0.08 0.02 0.00 0.00 175.26 175.55 3gxn s VAL 339 N -0.22 2.99 0.12 2.63 1.01 -0.32 -1.68 120.40 124.94 3gxn s VAL 339 Ca 0.03 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3gxn s VAL 339 Cb -0.06 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3gxn s VAL 339 CO -0.00 0.51 -0.17 0.26 0.00 0.00 0.00 175.10 175.70 3gxn s TRP 340 N 0.60 1.58 0.04 5.22 0.52 -0.16 0.17 118.94 126.91 3gxn s TRP 340 Ca -0.07 -0.48 -0.24 0.00 0.02 0.00 0.00 56.10 55.32 3gxn s TRP 340 Cb -0.16 -0.84 0.06 0.00 -1.15 0.00 0.00 33.47 31.39 3gxn s TRP 340 CO 0.03 0.20 0.56 -1.83 0.02 0.00 0.00 176.95 175.92 3gxn s GLU 341 N -2.36 1.06 -0.06 4.98 -1.05 -0.77 -0.20 118.70 120.31 3gxn s GLU 341 Ca 0.08 -0.16 -0.02 0.00 -0.15 0.00 0.00 54.97 54.72 3gxn s GLU 341 Cb -0.07 0.49 0.04 0.00 -0.44 0.00 0.00 34.13 34.14 3gxn s GLU 341 CO 0.04 -0.38 0.13 0.50 0.95 0.00 0.00 175.26 176.50 3gxn s ARG 342 N -2.31 0.06 0.17 -4.83 3.52 0.13 -1.46 118.95 114.24 3gxn s ARG 342 Ca -0.06 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 3gxn s ARG 342 Cb -0.01 -0.21 -0.07 0.00 -1.56 0.00 0.00 34.95 33.10 3gxn s ARG 342 CO -0.00 -0.19 1.10 -1.25 -0.81 0.00 0.00 175.30 174.15 3gxn s PRO 343 N 1.30 4.59 0.55 5.12 0.04 -1.26 -1.44 135.00 143.90 3gxn s PRO 343 Ca -0.08 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3gxn s PRO 343 Cb -0.12 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.17 3gxn s PRO 343 CO -0.06 0.06 0.25 -0.51 0.04 0.00 0.00 177.00 176.78 3gxn s LEU 344 N -0.31 2.43 0.44 -3.56 1.43 0.48 -4.54 118.68 115.06 3gxn s LEU 344 Ca 0.50 -1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 51.90 3gxn s LEU 344 Cb -0.29 -0.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 3gxn s LEU 344 CO 0.35 -1.08 1.08 -0.44 0.23 0.00 0.00 176.35 176.49 3gxn s SER 345 N -4.15 6.45 -0.23 2.29 0.01 -1.26 -4.01 113.70 112.79 3gxn s SER 345 Ca 0.19 2.10 -0.00 0.00 1.31 0.00 0.00 55.95 59.54 3gxn s SER 345 Cb -0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3gxn s SER 345 CO 0.12 -0.71 0.03 0.61 0.41 0.00 0.00 173.24 173.69 3gxn n GLY 346 N 0.23 0.34 2.48 3.44 0.00 -1.26 -3.16 105.19 107.27 3gxn n GLY 346 Ca 0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 3gxn n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxn n LEU 347 N -0.53 -1.91 -4.96 0.99 4.77 -1.26 -4.84 117.00 109.26 3gxn n LEU 347 Ca -0.03 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.71 3gxn n LEU 347 Cb 0.52 -2.84 -0.02 0.00 -2.33 0.00 0.00 43.42 38.76 3gxn n LEU 347 CO 0.05 -0.16 0.04 0.00 -1.33 0.00 0.00 177.39 175.99 3gxn s ALA 348 N -3.00 3.86 0.04 -1.18 0.00 -1.19 -4.47 121.76 115.81 3gxn s ALA 348 Ca 0.04 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3gxn s ALA 348 Cb -0.02 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3gxn s ALA 348 CO 0.05 0.14 -0.04 -1.58 0.00 0.00 0.00 175.76 174.32 3gxn s TRP 349 N -2.11 0.43 -0.08 0.00 0.52 -1.18 -0.38 118.94 116.14 3gxn s TRP 349 Ca 0.36 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.74 3gxn s TRP 349 Cb -0.09 -0.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.90 3gxn s TRP 349 CO 0.32 -0.25 -0.08 0.00 0.02 0.00 0.00 176.95 176.96 3gxn s ALA 350 N -2.49 2.92 -0.02 0.98 0.00 -0.52 -1.32 121.76 121.31 3gxn s ALA 350 Ca -0.05 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.07 3gxn s ALA 350 Cb -0.02 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 3gxn s ALA 350 CO -0.04 0.50 -0.18 0.08 0.00 0.00 0.00 175.76 176.11 3gxn s VAL 351 N -0.56 1.47 -0.07 0.00 1.01 -0.47 -0.69 120.40 121.08 3gxn s VAL 351 Ca 0.08 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3gxn s VAL 351 Cb -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3gxn s VAL 351 CO 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.41 3gxn s ALA 352 N -0.35 1.31 -0.25 5.51 0.00 0.73 -0.30 121.76 128.41 3gxn s ALA 352 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3gxn s ALA 352 Cb -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3gxn s ALA 352 CO -0.00 0.05 -0.03 -1.64 0.00 0.00 0.00 175.76 174.14 3gxn s MET 353 N 0.79 2.96 -0.16 0.00 -1.94 0.89 -0.99 119.30 120.86 3gxn s MET 353 Ca -0.12 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 52.86 3gxn s MET 353 Cb -0.15 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.57 3gxn s MET 353 CO 0.02 -0.38 0.17 0.42 -0.01 0.00 0.00 175.02 175.24 3gxn s ILE 354 N 1.38 5.41 -0.50 2.53 1.01 -0.67 0.09 121.20 130.45 3gxn s ILE 354 Ca 0.01 0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 3gxn s ILE 354 Cb -0.16 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.87 3gxn s ILE 354 CO -0.03 0.50 0.77 0.21 0.00 0.00 0.00 174.94 176.39 3gxn s ASN 355 N -0.13 6.31 0.00 3.58 2.47 -0.22 -1.55 114.94 125.40 3gxn s ASN 355 Ca 0.12 -0.48 0.29 0.00 0.42 0.00 0.00 52.86 53.21 3gxn s ASN 355 Cb -0.12 -2.36 1.34 0.00 -1.45 0.00 0.00 41.25 38.66 3gxn s ASN 355 CO 0.01 -1.00 1.91 0.54 -3.72 0.00 0.00 177.10 174.85 3gxn n ARG 356 N 6.74 1.10 -2.64 0.43 5.12 0.89 -1.31 116.66 126.99 3gxn n ARG 356 Ca -0.01 -0.42 -0.43 0.00 -1.93 0.00 0.00 57.85 55.06 3gxn n ARG 356 Cb 0.47 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 3gxn n ARG 356 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3gxn s GLN 357 N -2.19 4.16 -0.18 5.56 0.74 -1.23 -4.77 119.66 121.75 3gxn s GLN 357 Ca 0.37 1.23 0.03 0.00 0.05 0.00 0.00 55.36 57.03 3gxn s GLN 357 Cb 0.21 -3.69 0.32 0.00 1.10 0.00 0.00 33.01 30.94 3gxn s GLN 357 CO 0.40 -0.77 1.34 0.39 -0.55 0.00 0.00 175.29 176.10 3gxn n GLU 358 N 6.61 1.81 -4.10 1.67 1.02 -1.26 -4.00 120.64 122.38 3gxn n GLU 358 Ca 0.12 -1.37 -0.10 0.00 -0.02 0.00 0.00 57.16 55.79 3gxn n GLU 358 Cb 0.46 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 3gxn n GLU 358 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3gxn s ILE 359 N -1.55 0.06 0.00 -3.67 2.07 -1.26 -5.03 121.20 111.82 3gxn s ILE 359 Ca 0.25 -1.77 0.00 0.00 -1.41 0.00 0.00 60.65 57.73 3gxn s ILE 359 Cb 0.21 -2.13 0.00 0.00 0.13 0.00 0.00 42.46 40.67 3gxn s ILE 359 CO 0.05 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.43 3gxn n GLY 360 N -0.19 0.01 0.00 1.50 0.00 -1.26 -4.92 105.19 100.32 3gxn n GLY 360 Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3gxn n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxn n GLY 361 N 0.00 5.16 3.73 -0.02 0.00 -1.26 -4.92 105.19 107.88 3gxn n GLY 361 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3gxn n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxn s PRO 362 N -1.21 4.39 0.14 1.61 0.04 -1.26 -4.52 135.00 134.19 3gxn s PRO 362 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3gxn s PRO 362 Cb 0.00 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3gxn s PRO 362 CO 0.00 -0.26 0.30 1.03 0.04 0.00 0.00 177.00 178.11 3gxn s ARG 363 N 0.11 3.46 -0.05 4.56 0.52 -0.01 -4.86 118.95 122.69 3gxn s ARG 363 Ca 0.57 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 55.16 3gxn s ARG 363 Cb -0.36 -2.95 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 3gxn s ARG 363 CO 0.36 0.51 0.33 0.45 0.02 0.00 0.00 175.30 176.97 3gxn s SER 364 N -3.06 6.67 0.01 0.23 0.15 -1.26 0.10 113.70 116.54 3gxn s SER 364 Ca 0.36 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.84 3gxn s SER 364 Cb -0.11 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3gxn s SER 364 CO 0.28 0.32 -0.10 -0.47 1.20 0.00 0.00 173.24 174.48 3gxn s TYR 365 N -0.91 0.88 -0.04 3.44 5.04 0.35 -4.95 117.35 121.15 3gxn s TYR 365 Ca 0.21 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 3gxn s TYR 365 Cb -0.15 -0.55 0.02 0.00 0.35 0.00 0.00 41.96 41.63 3gxn s TYR 365 CO 0.10 -0.01 -0.03 0.95 -1.34 0.00 0.00 175.55 175.22 3gxn s THR 366 N -0.52 0.47 0.13 4.34 -4.23 -1.25 -0.28 115.64 114.29 3gxn s THR 366 Ca 0.01 -0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.54 3gxn s THR 366 Cb -0.05 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 3gxn s THR 366 CO 0.00 0.21 -0.20 0.27 -0.54 0.00 0.00 174.62 174.36 3gxn s ILE 367 N 0.97 2.69 -0.01 2.99 -5.25 -0.46 -4.94 121.20 117.18 3gxn s ILE 367 Ca -0.10 -1.59 -0.30 0.00 -0.99 0.00 0.00 60.65 57.66 3gxn s ILE 367 Cb -0.14 -2.23 -0.07 0.00 2.95 0.00 0.00 42.46 42.97 3gxn s ILE 367 CO -0.00 0.08 1.72 0.00 -1.79 0.00 0.00 174.94 174.95 3gxn s ALA 368 N -1.16 3.62 0.67 2.27 0.00 -1.26 -0.23 121.76 125.67 3gxn s ALA 368 Ca 0.17 1.07 0.44 0.00 0.00 0.00 0.00 51.96 53.63 3gxn s ALA 368 Cb -0.10 -3.76 2.38 0.00 0.00 0.00 0.00 23.12 21.64 3gxn s ALA 368 CO 0.09 -1.38 2.34 -0.24 0.00 0.00 0.00 175.76 176.57 3gxn h VAL 369 N 5.46 0.01 -0.17 0.00 3.04 -1.59 -0.25 116.25 122.74 3gxn h VAL 369 Ca -0.42 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.08 3gxn h VAL 369 Cb 1.19 0.98 0.01 0.00 -2.01 0.00 0.00 31.29 31.46 3gxn h VAL 369 CO 0.95 0.00 -0.62 0.00 -1.01 0.00 0.00 177.57 176.88 3gxn h ALA 370 N 1.95 0.31 0.00 3.17 0.00 -1.77 -2.89 119.26 120.03 3gxn h ALA 370 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gxn h ALA 370 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gxn h ALA 370 CO -0.00 0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3gxn n SER 371 N -4.06 0.16 0.00 0.00 3.41 -0.11 -3.39 113.62 109.63 3gxn n SER 371 Ca -0.07 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3gxn n SER 371 Cb 0.66 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3gxn n SER 371 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gxn n LEU 372 N -0.41 0.00 -2.90 1.04 7.94 -1.09 -4.53 117.00 117.05 3gxn n LEU 372 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 3gxn n LEU 372 Cb 0.04 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.95 3gxn n LEU 372 CO 0.00 0.00 2.12 0.61 -1.11 0.00 0.00 177.39 179.01 3gxn n GLY 373 N 3.81 2.97 3.43 -3.96 0.00 -1.26 -4.25 105.19 105.93 3gxn n GLY 373 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3gxn n GLY 373 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gxn n LYS 374 N 3.71 0.00 -0.11 1.61 4.81 -1.26 -2.20 118.16 124.71 3gxn n LYS 374 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3gxn n LYS 374 Cb 0.27 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.13 3gxn n LYS 374 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gxn n GLY 375 N -2.00 0.64 0.08 3.14 0.00 -1.22 -4.94 105.19 100.90 3gxn n GLY 375 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3gxn n GLY 375 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxn h VAL 376 N 0.00 0.48 -2.90 1.61 2.07 -1.73 -3.41 116.25 112.38 3gxn h VAL 376 Ca 0.00 -1.27 -0.54 0.00 0.82 0.00 0.00 66.70 65.71 3gxn h VAL 376 Cb 0.00 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3gxn h VAL 376 CO 0.00 0.16 0.85 0.00 0.02 0.00 0.00 177.57 178.59 3gxn s ALA 377 N -2.74 3.59 0.00 1.67 0.00 -1.22 -1.51 121.76 121.55 3gxn s ALA 377 Ca -0.06 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3gxn s ALA 377 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3gxn s ALA 377 CO 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 175.76 175.04 3gxn s ASN 379 N -2.59 4.59 0.26 0.00 2.47 -0.57 -3.16 114.94 115.94 3gxn s ASN 379 Ca 0.00 -1.36 0.18 0.00 0.42 0.00 0.00 52.86 52.10 3gxn s ASN 379 Cb 0.00 -1.60 0.08 0.00 -1.45 0.00 0.00 41.25 38.28 3gxn s ASN 379 CO 0.00 -0.21 1.30 1.55 -3.72 0.00 0.00 177.10 176.02 3gxn h PRO 380 N 7.84 0.00 -4.60 0.43 0.13 -1.97 -3.48 132.00 130.35 3gxn h PRO 380 Ca -0.20 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.70 3gxn h PRO 380 Cb 1.05 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.01 3gxn h PRO 380 CO 0.48 0.27 -0.71 0.00 -0.23 0.00 0.00 178.00 177.81 3gxn s ALA 381 N -3.07 0.82 -0.01 -0.56 0.00 -1.21 -0.74 121.76 116.99 3gxn s ALA 381 Ca 0.03 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3gxn s ALA 381 Cb 0.07 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 3gxn s ALA 381 CO 0.75 -0.17 -0.07 0.00 0.00 0.00 0.00 175.76 176.27 3gxn s PHE 383 N 0.00 3.04 -0.27 0.00 5.36 0.18 -0.58 117.98 125.71 3gxn s PHE 383 Ca 0.00 -2.31 -0.10 0.00 -0.96 0.00 0.00 56.93 53.56 3gxn s PHE 383 Cb -0.05 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 3gxn s PHE 383 CO -0.00 -0.87 0.15 0.42 -1.46 0.00 0.00 175.22 173.46 3gxn s ILE 384 N 1.17 4.93 -0.18 3.12 1.01 -1.20 -0.78 121.20 129.28 3gxn s ILE 384 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 3gxn s ILE 384 Cb -0.19 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3gxn s ILE 384 CO -0.08 0.27 0.06 0.42 0.00 0.00 0.00 174.94 175.61 3gxn s THR 385 N 1.70 4.77 0.28 2.92 -4.23 -0.10 -1.31 115.64 119.67 3gxn s THR 385 Ca 0.07 -0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 3gxn s THR 385 Cb -0.16 -3.14 -0.09 0.00 1.34 0.00 0.00 72.50 70.45 3gxn s THR 385 CO 0.08 0.47 1.08 -1.58 -0.54 0.00 0.00 174.62 174.13 3gxn s GLN 386 N 0.27 4.66 -0.03 3.99 0.74 0.12 -1.20 119.66 128.21 3gxn s GLN 386 Ca 0.04 1.76 0.11 0.00 0.05 0.00 0.00 55.36 57.32 3gxn s GLN 386 Cb -0.12 -3.19 -0.16 0.00 1.10 0.00 0.00 33.01 30.63 3gxn s GLN 386 CO 0.00 0.24 0.20 -0.11 -0.55 0.00 0.00 175.29 175.08 3gxn n LEU 387 N 1.20 0.00 -3.65 3.68 7.94 0.30 -2.21 117.00 124.26 3gxn n LEU 387 Ca -0.01 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3gxn n LEU 387 Cb 0.45 0.05 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 3gxn n LEU 387 CO 0.53 0.05 0.90 -0.22 -1.11 0.00 0.00 177.39 177.54 3gxn s LEU 388 N -3.96 -0.22 0.00 -1.96 2.96 -1.15 -3.52 118.68 110.82 3gxn s LEU 388 Ca -0.04 0.37 0.18 0.00 -0.22 0.00 0.00 54.13 54.41 3gxn s LEU 388 Cb 0.06 1.34 0.94 0.00 0.50 0.00 0.00 46.19 49.04 3gxn s LEU 388 CO 0.46 -0.06 1.63 -0.81 -1.32 0.00 0.00 176.35 176.24 3gxn n PRO 389 N 3.09 1.20 0.00 0.98 -0.04 -1.26 -0.53 135.00 138.45 3gxn n PRO 389 Ca -0.17 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 3gxn n PRO 389 Cb 0.57 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 3gxn n PRO 389 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3gxn n VAL 390 N -0.46 0.05 -1.18 0.52 0.24 -1.26 -5.09 118.33 111.15 3gxn n VAL 390 Ca 0.14 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 3gxn n VAL 390 Cb 0.13 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 3gxn n VAL 390 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3gxn n LYS 391 N -2.94 0.00 -4.77 7.34 4.81 -0.94 -4.89 118.16 116.77 3gxn n LYS 391 Ca 0.00 0.19 -0.33 0.00 -0.87 0.00 0.00 58.31 57.30 3gxn n LYS 391 Cb 0.38 -1.18 -0.13 0.00 0.02 0.00 0.00 35.03 34.12 3gxn n LYS 391 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3gxn s ARG 392 N -2.79 2.94 0.06 1.64 3.52 -1.03 -4.97 118.95 118.32 3gxn s ARG 392 Ca 0.00 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 3gxn s ARG 392 Cb 0.00 -2.54 -0.06 0.00 -1.56 0.00 0.00 34.95 30.78 3gxn s ARG 392 CO 0.00 0.46 1.35 0.15 -0.81 0.00 0.00 175.30 176.45 3gxn s LYS 393 N -0.28 4.33 0.66 5.12 1.02 -1.26 0.14 119.74 129.46 3gxn s LYS 393 Ca 0.02 1.97 0.03 0.00 0.02 0.00 0.00 55.97 58.01 3gxn s LYS 393 Cb -0.13 -3.40 0.11 0.00 -0.52 0.00 0.00 37.83 33.89 3gxn s LYS 393 CO 0.03 -0.46 0.91 -0.51 -0.92 0.00 0.00 175.35 174.40 3gxn s LEU 394 N 1.61 3.05 0.00 3.17 1.43 -0.43 -4.87 118.68 122.65 3gxn s LEU 394 Ca 0.63 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3gxn s LEU 394 Cb -0.33 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3gxn s LEU 394 CO 0.28 -1.64 0.00 0.61 0.23 0.00 0.00 176.35 175.84 3gxn n GLY 395 N -2.60 0.55 3.76 -3.19 0.00 -1.26 -4.52 105.19 97.93 3gxn n GLY 395 Ca 0.15 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 3gxn n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxn s PHE 396 N 0.00 3.76 -0.17 1.61 0.08 -1.26 -3.20 117.98 118.80 3gxn s PHE 396 Ca 0.00 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.45 3gxn s PHE 396 Cb 0.00 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.72 3gxn s PHE 396 CO 0.00 0.36 -0.13 0.71 -0.10 0.00 0.00 175.22 176.06 3gxn s TYR 397 N -0.36 2.82 0.73 0.36 1.51 0.26 -4.95 117.35 117.72 3gxn s TYR 397 Ca 0.35 -1.02 -0.14 0.00 -1.01 0.00 0.00 57.07 55.26 3gxn s TYR 397 Cb -0.20 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3gxn s TYR 397 CO 0.22 -0.48 1.15 -2.00 -1.11 0.00 0.00 175.55 173.33 3gxn s GLU 398 N 0.91 2.24 0.25 -0.62 2.56 -1.26 -1.27 118.70 121.52 3gxn s GLU 398 Ca -0.03 1.54 -0.03 0.00 0.00 0.00 0.00 54.97 56.44 3gxn s GLU 398 Cb -0.15 -1.87 0.41 0.00 2.00 0.00 0.00 34.13 34.53 3gxn s GLU 398 CO -0.01 -1.71 1.83 2.35 -0.56 0.00 0.00 175.26 177.16 3gxn h TRP 399 N -0.48 0.95 0.00 5.30 7.01 -0.89 0.17 115.95 128.02 3gxn h TRP 399 Ca -0.46 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.56 3gxn h TRP 399 Cb 1.27 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 3gxn h TRP 399 CO 0.51 0.41 -0.06 1.79 -2.79 0.00 0.00 178.44 178.31 3gxn h THR 400 N 0.88 0.41 -4.20 2.65 1.35 -1.86 -3.30 112.91 108.84 3gxn h THR 400 Ca 0.41 -0.30 -0.53 0.00 -0.55 0.00 0.00 66.41 65.44 3gxn h THR 400 Cb 0.34 1.21 0.16 0.00 -1.73 0.00 0.00 68.15 68.13 3gxn h THR 400 CO -0.23 0.06 0.36 -0.44 -0.25 0.00 0.00 175.52 175.01 3gxn s SER 401 N -5.94 4.03 0.08 5.36 0.01 0.59 -4.83 113.70 113.01 3gxn s SER 401 Ca -0.03 2.28 0.04 0.00 1.31 0.00 0.00 55.95 59.55 3gxn s SER 401 Cb 0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3gxn s SER 401 CO 0.54 -2.37 -0.01 -0.13 0.41 0.00 0.00 173.24 171.69 3gxn s ARG 402 N -4.10 2.56 -0.28 12.44 0.52 -1.26 -1.75 118.95 127.08 3gxn s ARG 402 Ca 0.72 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 3gxn s ARG 402 Cb -0.27 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 3gxn s ARG 402 CO 0.48 0.55 0.15 -1.17 0.02 0.00 0.00 175.30 175.33 3gxn s LEU 403 N -2.17 3.89 -0.06 2.53 2.96 0.68 -4.88 118.68 121.63 3gxn s LEU 403 Ca 0.24 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3gxn s LEU 403 Cb -0.12 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3gxn s LEU 403 CO 0.17 -0.08 0.12 -0.60 -1.32 0.00 0.00 176.35 174.64 3gxn s ARG 404 N 1.69 3.30 -0.08 1.98 3.52 -1.26 -1.36 118.95 126.74 3gxn s ARG 404 Ca 0.06 -0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.12 3gxn s ARG 404 Cb -0.16 -3.04 0.06 0.00 -1.56 0.00 0.00 34.95 30.25 3gxn s ARG 404 CO 0.08 0.71 0.59 0.45 -0.81 0.00 0.00 175.30 176.32 3gxn s SER 405 N -1.40 -0.55 -0.24 -2.12 0.15 0.62 -4.99 113.70 105.16 3gxn s SER 405 Ca 0.20 0.68 -0.07 0.00 0.70 0.00 0.00 55.95 57.45 3gxn s SER 405 Cb -0.12 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 3gxn s SER 405 CO 0.10 -0.50 0.07 -1.00 1.20 0.00 0.00 173.24 173.12 3gxn s HIS 406 N -0.92 3.10 -0.06 3.44 3.76 -1.26 0.13 115.29 123.48 3gxn s HIS 406 Ca -0.09 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3gxn s HIS 406 Cb -0.02 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 3gxn s HIS 406 CO 0.07 -0.31 -0.05 0.42 -0.85 0.00 0.00 174.74 174.02 3gxn s ILE 407 N 1.52 3.88 0.32 0.60 1.09 0.11 -4.89 121.20 123.82 3gxn s ILE 407 Ca 0.06 -0.45 -0.29 0.00 -1.10 0.00 0.00 60.65 58.88 3gxn s ILE 407 Cb -0.15 -2.61 -0.10 0.00 -1.06 0.00 0.00 42.46 38.54 3gxn s ILE 407 CO 0.04 0.57 1.19 0.20 -0.10 0.00 0.00 174.94 176.84 3gxn s ASN 408 N -0.91 6.98 0.15 3.58 -0.87 -1.26 -0.83 114.94 121.78 3gxn s ASN 408 Ca 0.13 2.44 -0.34 0.00 -1.57 0.00 0.00 52.86 53.52 3gxn s ASN 408 Cb -0.11 -2.63 -0.15 0.00 -0.02 0.00 0.00 41.25 38.34 3gxn s ASN 408 CO 0.03 -0.36 1.43 -2.65 -2.57 0.00 0.00 177.10 172.98 3gxn n PRO 409 N 0.89 1.73 -0.53 -0.60 -0.02 -1.26 0.09 135.00 135.30 3gxn n PRO 409 Ca -0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3gxn n PRO 409 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3gxn n PRO 409 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gxn n THR 410 N 2.68 0.00 -2.66 3.45 -2.24 -0.43 -4.87 114.28 110.21 3gxn n THR 410 Ca 0.16 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.76 3gxn n THR 410 Cb 0.26 -0.53 0.09 0.00 -2.10 0.00 0.00 70.33 68.05 3gxn n THR 410 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxn n GLY 411 N -0.22 0.99 2.91 3.38 0.00 0.11 -3.79 105.19 108.57 3gxn n GLY 411 Ca 0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 3gxn n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxn s THR 412 N -2.29 0.14 -0.26 2.61 2.01 -1.26 -1.06 115.64 115.53 3gxn s THR 412 Ca 0.52 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.27 3gxn s THR 412 Cb -0.03 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3gxn s THR 412 CO 0.34 -0.01 0.13 -0.69 -0.69 0.00 0.00 174.62 173.70 3gxn s VAL 413 N -0.18 4.87 -0.22 3.82 1.01 0.11 -4.14 120.40 125.68 3gxn s VAL 413 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 3gxn s VAL 413 Cb -0.02 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3gxn s VAL 413 CO -0.00 0.30 0.02 -0.22 0.00 0.00 0.00 175.10 175.20 3gxn s LEU 414 N 1.63 3.28 0.13 3.92 2.96 0.32 -0.07 118.68 130.84 3gxn s LEU 414 Ca 0.07 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3gxn s LEU 414 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3gxn s LEU 414 CO 0.07 0.02 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.20 3gxn s LEU 415 N 1.26 2.73 -0.07 -0.68 1.43 0.59 -0.54 118.68 123.41 3gxn s LEU 415 Ca 0.04 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3gxn s LEU 415 Cb -0.15 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 3gxn s LEU 415 CO 0.02 0.16 -0.23 -1.58 0.23 0.00 0.00 176.35 174.95 3gxn s GLN 416 N -2.30 2.52 -0.15 1.70 0.74 -0.34 -1.37 119.66 120.46 3gxn s GLN 416 Ca 0.19 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 54.74 3gxn s GLN 416 Cb -0.10 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.92 3gxn s GLN 416 CO 0.11 0.27 0.01 -0.51 -0.55 0.00 0.00 175.29 174.62 3gxn s LEU 417 N 0.09 3.56 0.29 3.68 1.02 -0.44 -0.92 118.68 125.96 3gxn s LEU 417 Ca -0.09 0.02 0.11 0.00 0.02 0.00 0.00 54.13 54.19 3gxn s LEU 417 Cb -0.15 -1.87 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 3gxn s LEU 417 CO 0.05 0.22 -0.13 -1.61 0.02 0.00 0.00 176.35 174.91 3gxn s GLU 418 N 0.06 1.87 0.08 1.70 0.41 0.04 -3.07 118.70 119.78 3gxn s GLU 418 Ca 0.03 -1.69 0.02 0.00 -0.41 0.00 0.00 54.97 52.91 3gxn s GLU 418 Cb -0.13 -1.87 -0.04 0.00 -1.78 0.00 0.00 34.13 30.31 3gxn s GLU 418 CO 0.02 0.31 0.16 1.21 -0.49 0.00 0.00 175.26 176.47 3gxn s ASN 419 N -3.57 5.98 0.18 -0.19 3.84 -1.26 0.48 114.94 120.39 3gxn s ASN 419 Ca 0.31 0.13 -0.13 0.00 0.21 0.00 0.00 52.86 53.37 3gxn s ASN 419 Cb -0.04 -1.74 0.10 0.00 -0.55 0.00 0.00 41.25 39.02 3gxn s ASN 419 CO 0.17 0.16 1.82 0.74 -2.79 0.00 0.00 177.10 177.19 3gxn h THR 420 N 2.24 1.07 0.00 -5.21 2.02 -1.91 -3.47 112.91 107.65 3gxn h THR 420 Ca -0.46 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3gxn h THR 420 Cb 1.17 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3gxn h THR 420 CO 0.71 0.12 0.00 1.15 0.37 0.00 0.00 175.52 177.87