#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxf s ARG 2 N 0.00 3.19 0.65 0.00 0.52 -1.22 -4.95 118.95 117.15 3gxf s ARG 2 Ca 0.00 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 3gxf s ARG 2 Cb 0.00 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3gxf s ARG 2 CO 0.00 0.13 1.04 -1.25 0.02 0.00 0.00 175.30 175.24 3gxf s PRO 3 N 0.51 3.36 0.26 3.54 0.04 -1.26 -1.30 135.00 140.16 3gxf s PRO 3 Ca -0.12 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 3gxf s PRO 3 Cb -0.16 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 3gxf s PRO 3 CO 0.05 -0.75 1.09 0.00 0.04 0.00 0.00 177.00 177.43 3gxf s ILE 5 N -0.76 5.10 0.53 0.00 -1.09 -1.26 -5.00 121.20 118.72 3gxf s ILE 5 Ca 0.63 -1.37 -0.18 0.00 -2.23 0.00 0.00 60.65 57.50 3gxf s ILE 5 Cb -0.72 -4.19 -0.06 0.00 -1.58 0.00 0.00 42.46 35.90 3gxf s ILE 5 CO 0.57 -0.75 1.04 -2.16 -1.23 0.00 0.00 174.94 172.41 3gxf s PRO 6 N 1.59 3.63 -0.06 2.79 0.04 -1.26 -0.93 135.00 140.80 3gxf s PRO 6 Ca 0.04 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 3gxf s PRO 6 Cb -0.27 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3gxf s PRO 6 CO 0.04 -0.56 0.16 0.21 0.04 0.00 0.00 177.00 176.89 3gxf s LYS 7 N -3.70 0.14 -0.13 4.56 2.20 -0.67 -4.88 119.74 117.26 3gxf s LYS 7 Ca 0.64 0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 3gxf s LYS 7 Cb -0.15 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 3gxf s LYS 7 CO 0.28 -0.10 0.19 0.45 -0.36 0.00 0.00 175.35 175.82 3gxf s SER 8 N 0.66 6.40 -0.20 1.43 0.15 -1.26 -1.18 113.70 119.69 3gxf s SER 8 Ca -0.05 0.47 0.14 0.00 0.70 0.00 0.00 55.95 57.21 3gxf s SER 8 Cb -0.06 -2.11 0.43 0.00 -1.71 0.00 0.00 66.02 62.57 3gxf s SER 8 CO -0.03 0.30 1.31 0.49 1.20 0.00 0.00 173.24 176.51 3gxf n PHE 9 N 2.58 0.52 -0.91 3.44 3.01 -1.26 -4.94 117.46 119.89 3gxf n PHE 9 Ca -0.17 -1.23 0.00 0.00 1.01 0.00 0.00 57.45 57.06 3gxf n PHE 9 Cb 0.53 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 3gxf n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxf n GLY 10 N -1.07 0.48 1.95 1.37 0.00 -1.26 -4.90 105.19 101.76 3gxf n GLY 10 Ca 0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3gxf n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 11 N -2.91 -2.74 0.30 1.61 4.02 -1.26 -5.01 117.16 111.17 3gxf n TYR 11 Ca 0.00 -1.03 0.18 0.00 -0.01 0.00 0.00 57.90 57.05 3gxf n TYR 11 Cb 0.00 -0.29 0.84 0.00 -0.02 0.00 0.00 39.34 39.87 3gxf n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxf h SER 12 N -0.02 0.00 -2.80 7.72 4.64 -1.90 -3.46 113.55 117.74 3gxf h SER 12 Ca -0.14 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 3gxf h SER 12 Cb 0.62 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 3gxf h SER 12 CO 0.19 0.00 -0.12 -0.24 -0.87 0.00 0.00 176.83 175.79 3gxf n SER 13 N -2.95 -0.34 -4.94 4.97 2.88 -0.44 -4.85 113.62 107.95 3gxf n SER 13 Ca -0.01 -1.74 -0.25 0.00 -1.33 0.00 0.00 58.87 55.54 3gxf n SER 13 Cb 0.20 0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 64.36 3gxf n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxf s VAL 14 N -2.52 5.14 0.36 2.46 -7.23 -1.26 -4.49 120.40 112.87 3gxf s VAL 14 Ca 0.13 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 3gxf s VAL 14 Cb 0.00 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 3gxf s VAL 14 CO 0.09 -0.40 0.56 0.68 -0.31 0.00 0.00 175.10 175.72 3gxf s VAL 15 N -2.13 4.73 -0.20 1.32 -7.23 -0.33 -4.35 120.40 112.21 3gxf s VAL 15 Ca 0.39 -0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 59.94 3gxf s VAL 15 Cb -0.10 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 3gxf s VAL 15 CO 0.33 -0.44 0.02 0.00 -0.31 0.00 0.00 175.10 174.69 3gxf s VAL 17 N 0.83 5.24 0.19 0.00 1.01 -0.11 -1.29 120.40 126.28 3gxf s VAL 17 Ca 0.01 0.50 0.11 0.00 0.00 0.00 0.00 61.98 62.61 3gxf s VAL 17 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3gxf s VAL 17 CO 0.02 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.16 3gxf n ASN 19 N 0.23 0.00 0.18 0.00 0.23 0.27 -0.83 115.26 115.35 3gxf n ASN 19 Ca -0.12 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 53.97 3gxf n ASN 19 Cb 0.56 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.58 3gxf n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxf h ALA 20 N 1.04 1.02 -0.00 -2.53 0.00 -1.89 -3.34 119.26 113.56 3gxf h ALA 20 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gxf h ALA 20 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gxf h ALA 20 CO 0.00 0.50 -0.02 0.25 0.00 0.00 0.00 179.25 179.98 3gxf n THR 21 N -3.60 0.00 -3.80 0.00 -2.24 -1.26 -4.03 114.28 99.34 3gxf n THR 21 Ca -0.00 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3gxf n THR 21 Cb 0.51 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 3gxf n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxf s TYR 22 N -0.85 -0.16 -0.10 4.78 5.04 -1.25 -5.14 117.35 119.66 3gxf s TYR 22 Ca 0.00 0.42 -0.21 0.00 -2.44 0.00 0.00 57.07 54.84 3gxf s TYR 22 Cb 0.00 0.02 0.05 0.00 0.35 0.00 0.00 41.96 42.39 3gxf s TYR 22 CO 0.02 -0.10 0.51 0.00 -1.34 0.00 0.00 175.55 174.64 3gxf s ASP 24 N -0.59 5.74 0.32 0.00 -4.77 -1.26 -4.79 116.67 111.32 3gxf s ASP 24 Ca -0.07 2.70 -0.04 0.00 -3.30 0.00 0.00 52.55 51.84 3gxf s ASP 24 Cb -0.03 -2.63 -0.00 0.00 -1.09 0.00 0.00 42.92 39.16 3gxf s ASP 24 CO 0.04 -1.25 0.45 -0.94 0.70 0.00 0.00 175.17 174.18 3gxf s SER 25 N -0.89 0.71 0.18 2.11 1.04 -0.42 -4.92 113.70 111.50 3gxf s SER 25 Ca 0.65 -1.39 0.06 0.00 0.48 0.00 0.00 55.95 55.74 3gxf s SER 25 Cb -0.39 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3gxf s SER 25 CO 0.47 -1.25 0.13 -0.36 0.98 0.00 0.00 173.24 173.22 3gxf s PHE 26 N -3.27 3.11 0.69 5.02 0.40 -0.02 -3.39 117.98 120.52 3gxf s PHE 26 Ca 0.30 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.47 3gxf s PHE 26 Cb 0.00 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.06 3gxf s PHE 26 CO 0.18 0.52 1.07 -0.51 0.70 0.00 0.00 175.22 177.18 3gxf s ASP 27 N -3.18 5.22 0.33 1.36 1.01 -1.26 -4.49 116.67 115.67 3gxf s ASP 27 Ca 0.31 1.74 -0.28 0.00 0.71 0.00 0.00 52.55 55.03 3gxf s ASP 27 Cb -0.10 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.19 3gxf s ASP 27 CO 0.23 -1.55 1.22 -2.65 0.21 0.00 0.00 175.17 172.63 3gxf n PRO 28 N -2.96 1.93 -2.70 8.23 -0.02 -1.26 -4.77 135.00 133.46 3gxf n PRO 28 Ca 0.08 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 3gxf n PRO 28 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3gxf n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxf s PRO 29 N -1.80 4.45 -0.21 0.52 0.04 -1.26 -5.03 135.00 131.71 3gxf s PRO 29 Ca 0.56 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 3gxf s PRO 29 Cb -0.60 -2.71 0.06 0.00 0.04 0.00 0.00 34.50 31.30 3gxf s PRO 29 CO 0.62 0.14 0.52 0.99 0.04 0.00 0.00 177.00 179.30 3gxf s THR 30 N -1.64 -0.01 -0.03 1.26 2.01 -1.26 -5.17 115.64 110.80 3gxf s THR 30 Ca 0.53 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.59 3gxf s THR 30 Cb -0.20 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.58 3gxf s THR 30 CO 0.25 0.02 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.78 3gxf s PHE 31 N 1.17 0.68 0.79 4.92 0.08 -1.26 -5.09 117.98 119.26 3gxf s PHE 31 Ca -0.07 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 3gxf s PHE 31 Cb -0.06 -0.53 0.07 0.00 -0.57 0.00 0.00 43.02 41.92 3gxf s PHE 31 CO -0.11 -0.10 1.12 -1.25 -0.10 0.00 0.00 175.22 174.77 3gxf s PRO 32 N 0.40 2.13 0.90 0.24 0.04 -1.26 -5.04 135.00 132.41 3gxf s PRO 32 Ca -0.05 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.31 3gxf s PRO 32 Cb -0.09 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.53 3gxf s PRO 32 CO 0.00 -1.55 0.43 0.00 0.04 0.00 0.00 177.00 175.93 3gxf n ALA 33 N -3.35 -2.35 -1.64 8.56 0.00 -1.26 -4.55 120.51 115.92 3gxf n ALA 33 Ca 0.07 -0.53 -0.46 0.00 0.00 0.00 0.00 53.44 52.53 3gxf n ALA 33 Cb 0.58 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 3gxf n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxf n LEU 34 N -1.08 2.52 0.00 0.00 7.94 -1.26 -1.92 117.00 123.20 3gxf n LEU 34 Ca 0.07 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3gxf n LEU 34 Cb 0.53 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.12 3gxf n LEU 34 CO 0.50 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 3gxf n GLY 35 N 1.86 1.32 3.31 -3.96 0.00 -1.26 -5.06 105.19 101.40 3gxf n GLY 35 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3gxf n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxf s THR 36 N -2.25 1.99 0.30 2.61 2.01 -0.81 0.30 115.64 119.79 3gxf s THR 36 Ca 0.00 -1.29 0.11 0.00 0.31 0.00 0.00 61.69 60.81 3gxf s THR 36 Cb 0.00 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3gxf s THR 36 CO 0.00 0.35 -0.13 0.72 -0.69 0.00 0.00 174.62 174.88 3gxf s PHE 37 N -0.77 2.40 -0.04 4.92 -0.12 -0.73 -4.46 117.98 119.18 3gxf s PHE 37 Ca 0.10 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 56.64 3gxf s PHE 37 Cb -0.10 -1.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 3gxf s PHE 37 CO 0.02 0.65 -0.11 -1.12 -0.05 0.00 0.00 175.22 174.60 3gxf s SER 38 N -3.58 4.28 -0.09 1.98 0.01 0.58 -2.33 113.70 114.55 3gxf s SER 38 Ca 0.31 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.43 3gxf s SER 38 Cb -0.03 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.26 3gxf s SER 38 CO 0.16 0.33 -0.13 -0.60 0.41 0.00 0.00 173.24 173.42 3gxf s ARG 39 N -0.92 1.86 -0.21 12.44 3.52 0.18 -0.58 118.95 135.24 3gxf s ARG 39 Ca 0.13 -0.44 -0.07 0.00 -0.13 0.00 0.00 55.73 55.22 3gxf s ARG 39 Cb -0.11 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.64 3gxf s ARG 39 CO 0.02 -0.05 0.05 0.71 -0.81 0.00 0.00 175.30 175.22 3gxf s TYR 40 N 0.95 3.14 -0.05 5.12 1.51 0.47 -1.16 117.35 127.33 3gxf s TYR 40 Ca -0.09 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3gxf s TYR 40 Cb -0.15 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 3gxf s TYR 40 CO -0.00 -0.09 -0.21 -2.00 -1.11 0.00 0.00 175.55 172.14 3gxf s GLU 41 N 0.89 2.16 -0.04 -0.62 2.12 0.39 -0.48 118.70 123.12 3gxf s GLU 41 Ca 0.03 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.67 3gxf s GLU 41 Cb -0.14 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 3gxf s GLU 41 CO 0.02 0.29 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.74 3gxf s SER 42 N -0.02 2.17 0.10 -1.70 0.01 -0.27 -1.32 113.70 112.66 3gxf s SER 42 Ca -0.05 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.92 3gxf s SER 42 Cb -0.13 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 3gxf s SER 42 CO 0.03 0.17 -0.16 0.42 0.41 0.00 0.00 173.24 174.12 3gxf s THR 43 N -0.09 1.32 0.43 1.44 -4.23 -0.23 -0.80 115.64 113.48 3gxf s THR 43 Ca -0.01 -1.50 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 3gxf s THR 43 Cb -0.10 -1.34 0.33 0.00 1.34 0.00 0.00 72.50 72.73 3gxf s THR 43 CO 0.01 -0.26 1.98 -0.09 -0.54 0.00 0.00 174.62 175.73 3gxf h ARG 44 N 3.97 0.40 0.00 3.99 2.43 -1.34 -1.39 114.38 122.44 3gxf h ARG 44 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3gxf h ARG 44 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3gxf h ARG 44 CO 0.44 0.26 0.00 -1.13 -1.51 0.00 0.00 179.97 178.03 3gxf n SER 45 N -4.47 0.00 0.00 -3.80 3.41 -1.26 -4.46 113.62 103.03 3gxf n SER 45 Ca 0.10 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3gxf n SER 45 Cb 0.37 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3gxf n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxf n GLY 46 N 0.03 0.48 3.73 5.00 0.00 -0.53 -4.99 105.19 108.92 3gxf n GLY 46 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3gxf n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxf s ARG 47 N 0.00 4.43 -0.29 1.61 0.52 -1.23 -4.88 118.95 119.12 3gxf s ARG 47 Ca 0.00 1.95 -0.00 0.00 -0.52 0.00 0.00 55.73 57.16 3gxf s ARG 47 Cb 0.00 -3.23 0.09 0.00 0.52 0.00 0.00 34.95 32.33 3gxf s ARG 47 CO 0.00 -0.19 0.06 1.03 0.02 0.00 0.00 175.30 176.22 3gxf s ARG 48 N 0.04 0.95 -1.65 3.54 1.81 -1.25 -1.07 118.95 121.31 3gxf s ARG 48 Ca 0.56 -1.10 -0.15 0.00 -1.72 0.00 0.00 55.73 53.32 3gxf s ARG 48 Cb -0.34 -2.27 0.13 0.00 -0.45 0.00 0.00 34.95 32.02 3gxf s ARG 48 CO 0.36 -0.88 0.67 -1.33 -0.68 0.00 0.00 175.30 173.44 3gxf n MET 49 N 4.76 -2.95 -2.42 3.54 2.81 -0.76 -4.90 117.12 117.20 3gxf n MET 49 Ca -0.03 0.35 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 3gxf n MET 49 Cb 0.43 -4.90 -0.04 0.00 -0.71 0.00 0.00 33.22 28.00 3gxf n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxf s GLU 50 N -6.91 4.52 -0.09 0.03 2.02 -0.44 -4.57 118.70 113.27 3gxf s GLU 50 Ca 0.58 1.82 -0.13 0.00 0.02 0.00 0.00 54.97 57.26 3gxf s GLU 50 Cb -0.32 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 3gxf s GLU 50 CO 0.93 -0.04 0.32 -1.17 0.02 0.00 0.00 175.26 175.31 3gxf s LEU 51 N -0.24 4.37 0.11 1.80 2.96 -1.26 -0.46 118.68 125.96 3gxf s LEU 51 Ca 0.52 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3gxf s LEU 51 Cb -0.31 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 3gxf s LEU 51 CO 0.36 0.25 0.19 -0.94 -1.32 0.00 0.00 176.35 174.88 3gxf s SER 52 N -0.44 0.14 0.11 3.68 1.04 -0.31 -5.01 113.70 112.91 3gxf s SER 52 Ca 0.20 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 55.90 3gxf s SER 52 Cb -0.14 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3gxf s SER 52 CO 0.08 -0.76 -0.16 -0.04 0.98 0.00 0.00 173.24 173.34 3gxf s MET 53 N -3.91 1.02 0.12 4.02 -1.94 -1.26 -0.65 119.30 116.69 3gxf s MET 53 Ca 0.10 -1.18 -0.01 0.00 -1.71 0.00 0.00 55.69 52.89 3gxf s MET 53 Cb 0.05 -1.01 0.01 0.00 2.01 0.00 0.00 34.83 35.89 3gxf s MET 53 CO -0.07 0.21 0.18 0.41 -0.01 0.00 0.00 175.02 175.74 3gxf n GLY 54 N 0.77 2.57 3.85 -0.03 0.00 -0.99 -4.98 105.19 106.38 3gxf n GLY 54 Ca -0.17 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 3gxf n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxf s PRO 55 N -2.21 3.94 -0.27 1.61 0.04 -1.26 -1.77 135.00 135.08 3gxf s PRO 55 Ca 0.09 0.70 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 3gxf s PRO 55 Cb -0.01 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.21 3gxf s PRO 55 CO 0.06 0.00 -0.01 0.42 0.04 0.00 0.00 177.00 177.51 3gxf s ILE 56 N -2.24 3.27 0.34 0.56 1.01 0.15 -4.59 121.20 119.69 3gxf s ILE 56 Ca 0.55 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 60.36 3gxf s ILE 56 Cb -0.10 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3gxf s ILE 56 CO 0.24 0.15 0.35 -1.10 0.00 0.00 0.00 174.94 174.58 3gxf s GLN 57 N 1.39 2.85 0.09 2.79 -0.21 0.84 -4.68 119.66 122.72 3gxf s GLN 57 Ca 0.01 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.20 3gxf s GLN 57 Cb -0.17 -2.58 -0.25 0.00 1.00 0.00 0.00 33.01 31.01 3gxf s GLN 57 CO -0.02 0.08 1.20 0.00 -2.12 0.00 0.00 175.29 174.43 3gxf h ALA 58 N 1.13 0.24 -2.85 6.09 0.00 -1.86 0.30 119.26 122.31 3gxf h ALA 58 Ca -0.45 -0.91 -0.60 0.00 0.00 0.00 0.00 54.91 52.95 3gxf h ALA 58 Cb 1.25 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3gxf h ALA 58 CO 0.57 1.13 -0.23 -0.80 0.00 0.00 0.00 179.25 179.91 3gxf s ASN 59 N -6.91 6.66 -0.55 0.00 0.02 -1.26 -4.76 114.94 108.14 3gxf s ASN 59 Ca -0.02 0.78 -0.18 0.00 -1.02 0.00 0.00 52.86 52.42 3gxf s ASN 59 Cb 0.09 -2.23 0.09 0.00 0.02 0.00 0.00 41.25 39.22 3gxf s ASN 59 CO 0.85 0.19 0.63 -2.28 0.02 0.00 0.00 177.10 176.51 3gxf s HIS 60 N -0.24 3.07 -0.44 2.20 5.65 -1.26 -4.78 115.29 119.48 3gxf s HIS 60 Ca 0.22 -0.90 0.23 0.00 0.25 0.00 0.00 55.06 54.86 3gxf s HIS 60 Cb -0.15 -3.79 0.03 0.00 -1.18 0.00 0.00 32.58 27.49 3gxf s HIS 60 CO 0.10 -1.15 1.01 0.25 -0.65 0.00 0.00 174.74 174.29 3gxf n THR 61 N 5.49 0.31 -2.19 0.89 -2.24 -1.26 -4.96 114.28 110.31 3gxf n THR 61 Ca -0.10 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 60.92 3gxf n THR 61 Cb 0.43 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3gxf n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxf s GLY 62 N -3.96 2.99 0.00 3.38 0.00 -1.26 -4.94 107.32 103.52 3gxf s GLY 62 Ca 0.01 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.89 3gxf s GLY 62 CO 0.80 1.77 0.63 -1.30 0.00 0.00 0.00 173.10 175.00 3gxf n THR 63 N 0.68 0.32 -0.99 0.90 -2.24 -1.26 -5.04 114.28 106.64 3gxf n THR 63 Ca 0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3gxf n THR 63 Cb 0.43 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3gxf n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxf n GLY 64 N -0.16 1.45 3.66 3.38 0.00 -1.26 -5.02 105.19 107.25 3gxf n GLY 64 Ca 0.00 -1.84 -0.47 0.00 0.00 0.00 0.00 46.02 43.71 3gxf n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gxf n LEU 65 N 0.00 2.96 -4.50 0.99 7.94 -1.25 -4.88 117.00 118.26 3gxf n LEU 65 Ca 0.00 1.08 -0.34 0.00 -1.11 0.00 0.00 56.01 55.64 3gxf n LEU 65 Cb 0.00 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.43 3gxf n LEU 65 CO 0.00 -0.35 -0.36 -0.22 -1.11 0.00 0.00 177.39 175.35 3gxf s LEU 66 N 1.05 3.21 -0.20 -1.96 2.96 -1.26 -1.58 118.68 120.91 3gxf s LEU 66 Ca 0.80 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3gxf s LEU 66 Cb -0.71 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3gxf s LEU 66 CO 0.40 0.19 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.72 3gxf s LEU 67 N 0.22 2.45 -0.21 -0.68 1.43 -0.31 -0.09 118.68 121.49 3gxf s LEU 67 Ca -0.03 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 3gxf s LEU 67 Cb -0.14 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3gxf s LEU 67 CO 0.03 -0.01 -0.01 -0.89 0.23 0.00 0.00 176.35 175.69 3gxf s THR 68 N 1.35 3.72 0.48 5.49 2.01 -0.18 -0.39 115.64 128.12 3gxf s THR 68 Ca 0.05 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 3gxf s THR 68 Cb -0.14 -2.69 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 3gxf s THR 68 CO -0.09 0.42 1.34 -0.11 -0.69 0.00 0.00 174.62 175.48 3gxf n LEU 69 N 4.56 4.81 -3.38 4.42 -0.00 0.11 -1.25 117.00 126.27 3gxf n LEU 69 Ca -0.17 1.06 -0.26 0.00 -0.00 0.00 0.00 56.01 56.64 3gxf n LEU 69 Cb 0.51 -1.55 -0.09 0.00 -0.00 0.00 0.00 43.42 42.29 3gxf n LEU 69 CO 0.30 -0.52 -0.23 0.00 -0.00 0.00 0.00 177.39 176.95 3gxf n GLN 70 N -0.38 0.86 0.25 1.96 1.13 -0.57 -4.58 117.38 116.05 3gxf n GLN 70 Ca 0.07 -3.53 0.18 0.00 -1.94 0.00 0.00 57.00 51.78 3gxf n GLN 70 Cb 0.42 -1.64 0.90 0.00 0.11 0.00 0.00 30.24 30.03 3gxf n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3gxf h PRO 71 N 4.79 0.00 0.00 -1.09 0.13 -1.94 -2.01 132.00 131.89 3gxf h PRO 71 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gxf h PRO 71 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gxf h PRO 71 CO 0.50 0.00 -0.17 0.39 -0.23 0.00 0.00 178.00 178.49 3gxf n GLU 72 N -3.60 0.05 -3.15 0.86 -0.58 -1.26 -4.55 120.64 108.40 3gxf n GLU 72 Ca -0.00 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.34 3gxf n GLU 72 Cb 0.26 -1.55 -0.07 0.00 -0.57 0.00 0.00 31.44 29.52 3gxf n GLU 72 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3gxf s GLN 73 N -3.02 3.17 -0.07 3.49 0.74 -0.77 -5.04 119.66 118.16 3gxf s GLN 73 Ca 0.12 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.86 3gxf s GLN 73 Cb 0.17 -4.04 0.00 0.00 1.10 0.00 0.00 33.01 30.25 3gxf s GLN 73 CO 0.60 -1.12 -0.19 0.15 -0.55 0.00 0.00 175.29 174.18 3gxf s LYS 74 N 2.66 2.24 0.00 1.67 1.02 -1.26 -1.37 119.74 124.70 3gxf s LYS 74 Ca 0.17 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.50 3gxf s LYS 74 Cb -0.17 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3gxf s LYS 74 CO 0.14 0.17 0.00 1.19 -0.92 0.00 0.00 175.35 175.93 3gxf n PHE 75 N 3.45 0.00 -2.16 3.18 3.01 0.12 -5.00 117.46 120.07 3gxf n PHE 75 Ca -0.20 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.93 3gxf n PHE 75 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3gxf n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxf s GLN 76 N 4.97 3.36 0.21 -1.08 0.00 -1.26 -4.60 119.66 121.26 3gxf s GLN 76 Ca 0.00 1.34 -0.08 0.00 -0.00 0.00 0.00 55.36 56.62 3gxf s GLN 76 Cb 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 33.01 30.91 3gxf s GLN 76 CO 0.00 -0.80 0.51 0.15 0.00 0.00 0.00 175.29 175.15 3gxf s LYS 77 N -3.74 3.75 -0.09 9.60 1.02 -1.26 -0.47 119.74 128.55 3gxf s LYS 77 Ca 0.67 0.18 -0.15 0.00 0.02 0.00 0.00 55.97 56.69 3gxf s LYS 77 Cb -0.18 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 3gxf s LYS 77 CO 0.32 0.34 0.39 0.08 -0.92 0.00 0.00 175.35 175.56 3gxf s VAL 78 N -1.80 5.18 -0.15 3.17 1.01 0.55 -4.65 120.40 123.70 3gxf s VAL 78 Ca 0.46 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.99 3gxf s VAL 78 Cb -0.11 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.32 3gxf s VAL 78 CO 0.22 0.45 0.49 0.50 0.00 0.00 0.00 175.10 176.75 3gxf h LYS 79 N 5.92 0.08 0.00 2.72 1.63 0.34 0.90 116.57 128.16 3gxf h LYS 79 Ca -0.45 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 3gxf h LYS 79 Cb 1.19 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 3gxf h LYS 79 CO 0.70 1.06 0.00 0.41 -3.45 0.00 0.00 179.45 178.17 3gxf n GLY 80 N 1.58 -0.92 2.91 5.01 0.00 -1.20 -4.49 105.19 108.08 3gxf n GLY 80 Ca -0.23 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3gxf n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxf s PHE 81 N -2.67 0.24 0.00 1.61 0.40 -1.26 -1.47 117.98 114.84 3gxf s PHE 81 Ca 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 3gxf s PHE 81 Cb 0.00 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.36 3gxf s PHE 81 CO 0.00 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.32 3gxf n GLY 82 N 3.10 1.81 0.00 4.36 0.00 -1.02 -0.68 105.19 112.76 3gxf n GLY 82 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3gxf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxf n GLY 83 N 0.00 3.21 3.58 -0.02 0.00 -1.02 0.57 105.19 111.51 3gxf n GLY 83 Ca 0.00 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 3gxf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxf s ALA 84 N -1.53 3.37 -1.31 4.61 0.00 0.27 -1.30 121.76 125.87 3gxf s ALA 84 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 3gxf s ALA 84 Cb 0.00 -2.08 0.09 0.00 0.00 0.00 0.00 23.12 21.13 3gxf s ALA 84 CO 0.00 -0.14 1.77 -0.12 0.00 0.00 0.00 175.76 177.27 3gxf n MET 85 N 4.20 3.20 -2.13 0.00 1.56 -0.34 -1.85 117.12 121.76 3gxf n MET 85 Ca -0.16 -3.29 -0.27 0.00 -0.27 0.00 0.00 57.70 53.71 3gxf n MET 85 Cb 0.52 -3.35 0.11 0.00 2.15 0.00 0.00 33.22 32.65 3gxf n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxf s THR 86 N 3.39 2.13 0.17 1.12 -4.23 -1.26 -4.37 115.64 112.59 3gxf s THR 86 Ca 0.50 -0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 3gxf s THR 86 Cb 0.05 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 71.03 3gxf s THR 86 CO 0.04 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.31 3gxf h ASP 87 N -0.97 0.79 0.14 3.99 3.32 -1.92 -1.44 116.42 120.32 3gxf h ASP 87 Ca -0.43 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 3gxf h ASP 87 Cb 1.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3gxf h ASP 87 CO 0.52 0.71 -0.10 0.00 -1.72 0.00 0.00 179.24 178.65 3gxf h ALA 88 N 1.11 -0.22 -0.30 3.45 0.00 -1.60 0.26 119.26 121.96 3gxf h ALA 88 Ca 0.20 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3gxf h ALA 88 Cb 0.14 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3gxf h ALA 88 CO -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 179.25 178.44 3gxf h ALA 89 N 0.61 0.08 -0.67 0.00 0.00 -1.59 -1.89 119.26 115.80 3gxf h ALA 89 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gxf h ALA 89 Cb 0.20 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3gxf h ALA 89 CO 0.01 -0.55 0.42 0.00 0.00 0.00 0.00 179.25 179.12 3gxf h ALA 90 N 1.11 0.88 -0.59 0.00 0.00 -0.82 0.46 119.26 120.31 3gxf h ALA 90 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3gxf h ALA 90 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gxf h ALA 90 CO -0.38 0.17 0.30 -0.07 0.00 0.00 0.00 179.25 179.28 3gxf h LEU 91 N 0.81 0.75 0.15 0.00 3.38 -0.66 -1.33 115.31 118.41 3gxf h LEU 91 Ca 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3gxf h LEU 91 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gxf h LEU 91 CO -0.11 0.65 -0.07 0.78 0.09 0.00 0.00 178.44 179.77 3gxf h ASN 92 N 0.80 -0.18 -0.85 -0.43 2.35 -1.04 -2.95 115.58 113.29 3gxf h ASN 92 Ca 0.20 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3gxf h ASN 92 Cb 0.08 0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 3gxf h ASN 92 CO -0.03 0.07 0.53 0.40 -1.65 0.00 0.00 177.43 176.75 3gxf h ILE 93 N -0.42 1.08 -0.00 2.81 2.04 -0.68 -2.81 117.51 119.51 3gxf h ILE 93 Ca -0.02 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3gxf h ILE 93 Cb 0.33 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3gxf h ILE 93 CO 0.03 0.18 -0.00 0.18 0.00 0.00 0.00 178.15 178.55 3gxf n LEU 94 N -4.60 0.00 -0.55 1.44 4.77 -0.52 -2.80 117.00 114.75 3gxf n LEU 94 Ca 0.11 0.38 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 3gxf n LEU 94 Cb 0.14 -0.38 0.18 0.00 -2.33 0.00 0.00 43.42 41.02 3gxf n LEU 94 CO 0.32 0.00 0.64 0.00 -1.33 0.00 0.00 177.39 177.02 3gxf n ALA 95 N -1.38 2.46 -2.94 -1.18 0.00 -1.06 -4.80 120.51 111.61 3gxf n ALA 95 Ca 0.11 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 3gxf n ALA 95 Cb 0.29 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3gxf n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxf s LEU 96 N -1.09 4.32 0.69 0.00 1.43 -1.12 -4.79 118.68 118.12 3gxf s LEU 96 Ca 0.22 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 3gxf s LEU 96 Cb 0.11 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.43 3gxf s LEU 96 CO 0.16 0.00 1.16 -0.94 0.23 0.00 0.00 176.35 176.95 3gxf s SER 97 N -3.48 4.69 0.24 2.29 1.04 -1.26 -4.69 113.70 112.53 3gxf s SER 97 Ca 0.35 2.18 -0.07 0.00 0.48 0.00 0.00 55.95 58.88 3gxf s SER 97 Cb -0.10 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.88 3gxf s SER 97 CO 0.29 -1.92 1.65 -0.65 0.98 0.00 0.00 173.24 173.58 3gxf h PRO 98 N -0.08 0.13 -0.69 4.02 0.11 -1.95 -1.06 132.00 132.47 3gxf h PRO 98 Ca -0.47 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3gxf h PRO 98 Cb 1.27 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3gxf h PRO 98 CO 0.52 0.08 0.45 -1.35 -0.21 0.00 0.00 178.00 177.50 3gxf h PRO 99 N 0.13 0.86 -0.04 1.05 0.11 -1.92 -1.85 132.00 130.34 3gxf h PRO 99 Ca 0.41 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.28 3gxf h PRO 99 Cb 0.71 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3gxf h PRO 99 CO -0.63 0.57 -0.77 0.00 -0.21 0.00 0.00 178.00 176.96 3gxf h ALA 100 N 1.58 0.62 -0.77 -0.75 0.00 -1.44 -2.55 119.26 115.95 3gxf h ALA 100 Ca 0.26 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3gxf h ALA 100 Cb -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3gxf h ALA 100 CO -0.07 0.82 0.48 1.96 0.00 0.00 0.00 179.25 182.44 3gxf h GLN 101 N 0.18 0.88 -0.44 0.00 4.20 -0.81 -1.20 115.11 117.92 3gxf h GLN 101 Ca -0.03 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 3gxf h GLN 101 Cb 1.35 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3gxf h GLN 101 CO 0.12 0.58 -0.18 -0.91 -0.67 0.00 0.00 178.83 177.78 3gxf h ASN 102 N 0.91 0.87 -0.01 1.46 2.35 -1.17 -1.05 115.58 118.94 3gxf h ASN 102 Ca 0.32 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3gxf h ASN 102 Cb 0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3gxf h ASN 102 CO -0.13 1.04 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.40 3gxf h LEU 103 N 0.76 0.39 -0.38 1.61 3.38 -1.18 0.36 115.31 120.25 3gxf h LEU 103 Ca 0.11 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gxf h LEU 103 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gxf h LEU 103 CO 0.05 0.62 0.06 0.25 0.09 0.00 0.00 178.44 179.51 3gxf h LEU 104 N 0.36 0.62 -0.68 1.67 6.46 -0.94 -2.26 115.31 120.53 3gxf h LEU 104 Ca 0.06 -0.27 -0.14 0.00 -0.12 0.00 0.00 57.88 57.41 3gxf h LEU 104 Cb 0.58 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 3gxf h LEU 104 CO 0.04 0.73 -0.65 -0.07 -0.62 0.00 0.00 178.44 177.87 3gxf h LEU 105 N 0.48 0.07 -0.53 2.25 3.38 -1.03 -2.97 115.31 116.96 3gxf h LEU 105 Ca 0.12 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3gxf h LEU 105 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3gxf h LEU 105 CO 0.01 0.69 -0.55 0.11 0.09 0.00 0.00 178.44 178.79 3gxf h LYS 106 N 0.04 0.52 -0.58 1.13 1.57 -0.92 -1.14 116.57 117.19 3gxf h LYS 106 Ca -0.01 -0.33 0.12 0.00 -1.87 0.00 0.00 60.65 58.56 3gxf h LYS 106 Cb 1.15 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 3gxf h LYS 106 CO 0.09 0.94 -0.18 0.77 -0.57 0.00 0.00 179.45 180.50 3gxf h SER 107 N 0.40 -0.65 0.10 0.86 0.02 -1.24 -2.18 113.55 110.87 3gxf h SER 107 Ca 0.01 0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 3gxf h SER 107 Cb 1.09 0.40 0.02 0.00 0.14 0.00 0.00 62.40 64.05 3gxf h SER 107 CO 0.10 -0.22 -0.65 1.88 -1.14 0.00 0.00 176.83 176.80 3gxf h TYR 108 N -0.04 0.46 0.00 3.45 0.99 -1.52 0.01 116.97 120.33 3gxf h TYR 108 Ca 0.27 -0.32 -0.13 0.00 2.00 0.00 0.00 58.73 60.55 3gxf h TYR 108 Cb 0.46 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.14 3gxf h TYR 108 CO -0.51 1.24 -1.84 1.19 -0.00 0.00 0.00 178.16 178.24 3gxf n PHE 109 N -4.22 0.00 -2.19 4.88 3.01 -0.44 0.02 117.46 118.53 3gxf n PHE 109 Ca -0.13 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 3gxf n PHE 109 Cb 0.75 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 3gxf n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxf s SER 110 N -4.26 6.26 0.16 4.37 1.04 -0.82 -3.77 113.70 116.68 3gxf s SER 110 Ca -0.06 1.23 0.21 0.00 0.48 0.00 0.00 55.95 57.81 3gxf s SER 110 Cb 0.07 -2.39 0.85 0.00 0.10 0.00 0.00 66.02 64.66 3gxf s SER 110 CO 0.61 -0.75 1.63 -0.62 0.98 0.00 0.00 173.24 175.10 3gxf n GLU 111 N -2.51 0.13 0.00 4.02 -0.58 -1.26 -0.59 120.64 119.84 3gxf n GLU 111 Ca 0.04 0.35 0.15 0.00 -0.42 0.00 0.00 57.16 57.28 3gxf n GLU 111 Cb 0.54 -1.74 0.65 0.00 -0.57 0.00 0.00 31.44 30.33 3gxf n GLU 111 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3gxf n GLU 112 N -1.97 1.16 0.00 3.49 4.71 -1.26 -4.69 120.64 122.08 3gxf n GLU 112 Ca 0.03 -0.47 0.00 0.00 -0.01 0.00 0.00 57.16 56.71 3gxf n GLU 112 Cb 0.22 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3gxf n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxf n GLY 113 N 1.17 3.05 0.33 0.62 0.00 0.24 -0.84 105.19 109.76 3gxf n GLY 113 Ca 0.19 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.68 3gxf n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxf n ILE 114 N 0.00 0.54 -3.24 -0.61 -5.35 -0.01 -4.84 119.36 105.85 3gxf n ILE 114 Ca 0.00 -0.77 -0.16 0.00 -0.27 0.00 0.00 62.75 61.55 3gxf n ILE 114 Cb 0.00 0.79 0.06 0.00 -1.74 0.00 0.00 39.64 38.76 3gxf n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxf n GLY 115 N 0.23 -0.18 3.52 3.28 0.00 -0.43 -2.17 105.19 109.44 3gxf n GLY 115 Ca 0.05 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3gxf n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 116 N -4.03 -0.17 -1.75 1.61 0.53 0.10 -4.74 117.16 108.72 3gxf n TYR 116 Ca -0.08 0.45 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 3gxf n TYR 116 Cb 0.58 -2.02 0.00 0.00 -1.03 0.00 0.00 39.34 36.87 3gxf n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxf n ASN 117 N 0.13 0.00 -3.71 7.72 6.94 0.14 -4.76 115.26 121.72 3gxf n ASN 117 Ca 0.12 -1.25 -0.17 0.00 -0.02 0.00 0.00 54.58 53.27 3gxf n ASN 117 Cb 0.47 -0.05 -0.16 0.00 -2.36 0.00 0.00 39.78 37.67 3gxf n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxf s ILE 118 N 0.00 -0.12 -0.16 1.53 1.01 -0.92 -0.71 121.20 121.83 3gxf s ILE 118 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.99 3gxf s ILE 118 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.31 3gxf s ILE 118 CO 0.00 0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 174.25 3gxf s ILE 119 N 1.75 2.19 -0.01 2.92 1.01 -0.87 -2.45 121.20 125.75 3gxf s ILE 119 Ca -0.01 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 3gxf s ILE 119 Cb -0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 3gxf s ILE 119 CO -0.04 0.54 0.56 -0.60 0.00 0.00 0.00 174.94 175.40 3gxf s ARG 120 N 1.01 4.27 -0.22 2.79 3.52 -0.42 -1.60 118.95 128.30 3gxf s ARG 120 Ca -0.02 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 3gxf s ARG 120 Cb -0.15 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3gxf s ARG 120 CO -0.06 0.41 -0.14 0.08 -0.81 0.00 0.00 175.30 174.78 3gxf s VAL 121 N -0.31 2.26 0.37 7.11 1.01 0.86 -1.19 120.40 130.51 3gxf s VAL 121 Ca 0.29 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 3gxf s VAL 121 Cb -0.18 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 3gxf s VAL 121 CO 0.16 0.30 1.36 -2.84 0.00 0.00 0.00 175.10 174.08 3gxf s PRO 122 N 1.24 4.13 -0.51 2.72 0.02 -1.26 -1.87 135.00 139.47 3gxf s PRO 122 Ca -0.00 2.30 -0.20 0.00 0.02 0.00 0.00 61.00 63.12 3gxf s PRO 122 Cb -0.16 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.49 3gxf s PRO 122 CO -0.09 -0.41 0.69 -1.64 -0.33 0.00 0.00 177.00 175.23 3gxf s MET 123 N -2.05 3.17 2.72 5.54 -1.94 -0.59 -4.85 119.30 121.30 3gxf s MET 123 Ca 0.53 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 3gxf s MET 123 Cb -0.41 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 32.34 3gxf s MET 123 CO 0.54 -1.27 0.00 0.00 -0.01 0.00 0.00 175.02 174.28 3gxf n ALA 124 N 6.45 0.00 -1.70 3.03 0.00 -1.26 -4.27 120.51 122.76 3gxf n ALA 124 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 3gxf n ALA 124 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 3gxf n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxf s SER 125 N -4.00 5.86 0.09 0.00 1.04 -1.10 -4.92 113.70 110.66 3gxf s SER 125 Ca 0.00 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3gxf s SER 125 Cb 0.00 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 3gxf s SER 125 CO 0.00 -1.12 0.08 0.00 0.98 0.00 0.00 173.24 173.18 3gxf h ASP 127 N 0.56 0.37 -0.72 0.00 2.03 -1.95 -2.87 116.42 113.84 3gxf h ASP 127 Ca -0.06 0.05 -0.64 0.00 -0.73 0.00 0.00 57.03 55.65 3gxf h ASP 127 Cb 0.33 -0.02 -0.08 0.00 -0.83 0.00 0.00 39.33 38.73 3gxf h ASP 127 CO 0.09 0.13 2.27 0.49 -1.03 0.00 0.00 179.24 181.19 3gxf n PHE 128 N -4.51 2.17 -4.05 4.15 3.01 -1.26 -1.91 117.46 115.06 3gxf n PHE 128 Ca 0.21 -2.65 -0.09 0.00 1.01 0.00 0.00 57.45 55.92 3gxf n PHE 128 Cb 0.78 -1.93 -0.09 0.00 -0.01 0.00 0.00 39.48 38.23 3gxf n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxf s SER 129 N 1.01 0.20 0.00 4.37 0.01 -1.09 -1.68 113.70 116.52 3gxf s SER 129 Ca 0.60 -1.01 0.17 0.00 1.31 0.00 0.00 55.95 57.02 3gxf s SER 129 Cb 0.22 0.35 0.38 0.00 0.21 0.00 0.00 66.02 67.18 3gxf s SER 129 CO -0.10 -0.79 1.30 2.30 0.41 0.00 0.00 173.24 176.37 3gxf n ILE 130 N -0.13 0.71 -3.62 1.44 -5.35 -1.26 -2.11 119.36 109.04 3gxf n ILE 130 Ca -0.08 -0.85 -0.07 0.00 -0.27 0.00 0.00 62.75 61.48 3gxf n ILE 130 Cb 0.63 0.75 -0.02 0.00 -1.74 0.00 0.00 39.64 39.27 3gxf n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxf s ARG 131 N -1.13 1.10 0.10 6.28 1.70 -1.26 -4.93 118.95 120.80 3gxf s ARG 131 Ca 0.32 -0.52 0.01 0.00 -0.47 0.00 0.00 55.73 55.07 3gxf s ARG 131 Cb 0.18 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 3gxf s ARG 131 CO 0.24 -0.49 0.25 0.95 -1.08 0.00 0.00 175.30 175.16 3gxf s THR 132 N -3.32 5.35 0.00 4.99 -4.23 -1.26 -4.82 115.64 112.36 3gxf s THR 132 Ca 0.08 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3gxf s THR 132 Cb -0.02 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3gxf s THR 132 CO -0.04 0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.09 3gxf n TYR 133 N -0.02 0.00 -4.07 3.99 0.18 -1.26 -5.03 117.16 110.95 3gxf n TYR 133 Ca -0.06 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.69 3gxf n TYR 133 Cb 0.52 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.47 3gxf n TYR 133 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3gxf n THR 134 N -0.49 0.00 1.27 -3.48 -2.24 -1.26 -2.72 114.28 105.35 3gxf n THR 134 Ca 0.00 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3gxf n THR 134 Cb 0.00 0.09 0.34 0.00 -2.10 0.00 0.00 70.33 68.66 3gxf n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxf n TYR 135 N -0.12 0.00 -2.97 4.78 0.53 -1.26 -4.55 117.16 113.56 3gxf n TYR 135 Ca -0.01 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.71 3gxf n TYR 135 Cb 0.07 -0.05 -0.00 0.00 -1.03 0.00 0.00 39.34 38.33 3gxf n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxf n ALA 136 N -0.06 0.54 0.43 -0.72 0.00 -1.26 -1.26 120.51 118.18 3gxf n ALA 136 Ca 0.14 -2.42 0.12 0.00 0.00 0.00 0.00 53.44 51.28 3gxf n ALA 136 Cb 0.40 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.83 3gxf n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxf n ASP 137 N 1.32 0.66 -4.60 0.00 8.00 -1.26 -4.56 116.55 116.11 3gxf n ASP 137 Ca 0.15 0.03 -0.48 0.00 0.71 0.00 0.00 54.79 55.20 3gxf n ASP 137 Cb 0.60 0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 42.23 3gxf n ASP 137 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gxf n THR 138 N -2.19 0.43 -1.87 -3.53 -1.04 -1.26 -4.90 114.28 99.92 3gxf n THR 138 Ca 0.02 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 3gxf n THR 138 Cb 0.47 -1.98 0.01 0.00 -1.82 0.00 0.00 70.33 67.02 3gxf n THR 138 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3gxf s PRO 139 N 5.16 3.70 -1.27 -2.82 0.02 -1.26 -3.70 135.00 134.82 3gxf s PRO 139 Ca 0.99 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 64.30 3gxf s PRO 139 Cb -0.65 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 3gxf s PRO 139 CO 0.47 -0.77 0.71 -0.25 -0.33 0.00 0.00 177.00 176.83 3gxf n ASP 140 N -0.21 -1.90 -4.07 2.53 8.00 -1.26 -4.94 116.55 114.69 3gxf n ASP 140 Ca 0.05 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.30 3gxf n ASP 140 Cb 0.43 -4.04 -0.01 0.00 -0.02 0.00 0.00 41.12 37.48 3gxf n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxf n ASP 141 N -3.03 5.68 0.24 -2.24 2.03 -1.24 -4.91 116.55 113.07 3gxf n ASP 141 Ca -0.27 -3.27 0.12 0.00 0.52 0.00 0.00 54.79 51.89 3gxf n ASP 141 Cb 0.67 -1.23 0.48 0.00 -0.72 0.00 0.00 41.12 40.32 3gxf n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxf h PHE 142 N 5.75 0.00 -0.01 -0.67 -1.00 -1.94 0.19 116.94 119.26 3gxf h PHE 142 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3gxf h PHE 142 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3gxf h PHE 142 CO 0.88 0.14 -0.05 1.04 -1.61 0.00 0.00 178.31 178.71 3gxf n GLN 143 N -3.24 1.58 -3.45 1.51 1.13 -1.26 -4.71 117.38 108.93 3gxf n GLN 143 Ca 0.01 -0.96 -0.19 0.00 -1.94 0.00 0.00 57.00 53.92 3gxf n GLN 143 Cb 0.42 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.32 3gxf n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxf n LEU 144 N 0.13 -4.27 0.04 1.08 4.77 0.68 -4.90 117.00 114.53 3gxf n LEU 144 Ca 0.17 -0.69 -0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3gxf n LEU 144 Cb 0.37 -2.67 -0.07 0.00 -2.33 0.00 0.00 43.42 38.72 3gxf n LEU 144 CO 0.18 -0.05 -0.20 0.45 -1.33 0.00 0.00 177.39 176.44 3gxf h HIS 145 N -0.84 0.00 -0.65 -1.77 3.86 -1.94 -3.34 115.15 110.47 3gxf h HIS 145 Ca -0.46 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.44 3gxf h HIS 145 Cb 1.26 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.55 3gxf h HIS 145 CO 0.27 0.59 0.38 0.09 0.86 0.00 0.00 177.93 180.13 3gxf n ASN 146 N -2.95 3.68 -4.68 2.45 3.02 -1.26 -4.93 115.26 110.59 3gxf n ASN 146 Ca -0.08 -3.05 -0.43 0.00 -0.03 0.00 0.00 54.58 50.99 3gxf n ASN 146 Cb 0.84 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 3gxf n ASN 146 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gxf s PHE 147 N -2.32 3.45 0.03 3.10 5.36 -1.25 -4.49 117.98 121.85 3gxf s PHE 147 Ca 0.40 1.54 -0.17 0.00 -0.96 0.00 0.00 56.93 57.74 3gxf s PHE 147 Cb 0.33 -3.22 0.03 0.00 -0.34 0.00 0.00 43.02 39.82 3gxf s PHE 147 CO 0.08 -0.35 0.39 -1.54 -1.46 0.00 0.00 175.22 172.35 3gxf s SER 148 N 1.15 -0.26 -0.17 6.13 1.04 -0.39 -5.04 113.70 116.16 3gxf s SER 148 Ca 0.48 0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.73 3gxf s SER 148 Cb -0.18 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 3gxf s SER 148 CO 0.15 -0.61 0.59 -0.76 0.98 0.00 0.00 173.24 173.59 3gxf s LEU 149 N -1.83 4.18 0.00 2.42 1.43 -1.26 -4.57 118.68 119.05 3gxf s LEU 149 Ca -0.07 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 53.76 3gxf s LEU 149 Cb -0.02 -2.84 0.15 0.00 0.03 0.00 0.00 46.19 43.51 3gxf s LEU 149 CO -0.00 -0.19 0.75 -0.81 0.23 0.00 0.00 176.35 176.32 3gxf n PRO 150 N 4.63 -1.18 0.21 1.29 -0.04 -1.26 -4.77 135.00 133.88 3gxf n PRO 150 Ca -0.03 -1.16 0.06 0.00 -0.04 0.00 0.00 63.50 62.32 3gxf n PRO 150 Cb 0.50 -0.85 0.45 0.00 -0.04 0.00 0.00 33.50 33.56 3gxf n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxf h GLU 151 N 0.00 0.00 -0.96 0.54 4.81 -1.98 -1.64 114.58 115.35 3gxf h GLU 151 Ca -0.25 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.17 3gxf h GLU 151 Cb 0.71 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.98 3gxf h GLU 151 CO 0.17 0.30 0.56 0.93 -0.73 0.00 0.00 179.01 180.24 3gxf h GLU 152 N 0.00 0.67 0.06 1.92 3.07 -1.96 0.69 114.58 119.02 3gxf h GLU 152 Ca -0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3gxf h GLU 152 Cb 0.60 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3gxf h GLU 152 CO 0.04 0.44 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.62 3gxf h ASP 153 N 0.69 -0.07 1.33 1.42 3.32 -1.79 0.18 116.42 121.50 3gxf h ASP 153 Ca 0.56 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3gxf h ASP 153 Cb 0.90 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3gxf h ASP 153 CO -0.40 0.49 -0.21 0.71 -1.72 0.00 0.00 179.24 178.12 3gxf h THR 154 N -1.01 0.41 0.00 0.35 1.35 -1.08 0.40 112.91 113.33 3gxf h THR 154 Ca -0.01 -1.27 -0.39 0.00 -0.55 0.00 0.00 66.41 64.19 3gxf h THR 154 Cb 0.23 1.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.53 3gxf h THR 154 CO 0.01 0.20 -2.38 1.17 -0.25 0.00 0.00 175.52 174.27 3gxf n LYS 155 N -3.24 0.57 0.00 4.72 4.81 0.24 -4.61 118.16 120.65 3gxf n LYS 155 Ca 0.02 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3gxf n LYS 155 Cb 0.51 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3gxf n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxf n LEU 156 N -3.62 0.05 0.05 3.14 4.77 -1.01 -4.54 117.00 115.84 3gxf n LEU 156 Ca -0.46 0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.46 3gxf n LEU 156 Cb 0.91 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3gxf n LEU 156 CO 0.14 -0.42 0.77 0.11 -1.33 0.00 0.00 177.39 176.66 3gxf h LYS 157 N 0.00 -0.24 -0.09 3.23 1.57 -0.60 -3.06 116.57 117.39 3gxf h LYS 157 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3gxf h LYS 157 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3gxf h LYS 157 CO 0.00 -0.16 -0.00 0.82 -0.57 0.00 0.00 179.45 179.54 3gxf h ILE 158 N -0.25 1.26 -0.63 1.86 2.04 -1.15 -0.76 117.51 119.88 3gxf h ILE 158 Ca 0.05 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3gxf h ILE 158 Cb 0.31 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3gxf h ILE 158 CO -0.14 0.23 0.32 -0.65 0.00 0.00 0.00 178.15 177.91 3gxf h PRO 159 N -0.12 0.88 -0.55 2.37 0.11 -1.79 0.33 132.00 133.23 3gxf h PRO 159 Ca 0.03 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3gxf h PRO 159 Cb 0.36 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3gxf h PRO 159 CO 0.01 0.67 0.13 -0.07 -0.21 0.00 0.00 178.00 178.52 3gxf h LEU 160 N 0.89 0.84 -0.04 2.35 3.38 -1.41 -1.04 115.31 120.28 3gxf h LEU 160 Ca 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gxf h LEU 160 Cb 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gxf h LEU 160 CO -0.03 0.86 0.02 0.40 0.09 0.00 0.00 178.44 179.79 3gxf h ILE 161 N 0.79 1.07 -0.76 1.22 2.04 -0.88 -1.30 117.51 119.68 3gxf h ILE 161 Ca 0.17 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 66.01 3gxf h ILE 161 Cb 0.35 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.44 3gxf h ILE 161 CO 0.00 0.05 0.24 0.45 0.00 0.00 0.00 178.15 178.90 3gxf h HIS 162 N -0.00 0.39 0.00 1.37 3.86 -0.76 -0.77 115.15 119.23 3gxf h HIS 162 Ca 0.02 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 3gxf h HIS 162 Cb 0.07 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3gxf h HIS 162 CO -0.05 -0.04 -0.63 0.00 0.86 0.00 0.00 177.93 178.07 3gxf h ARG 163 N 0.34 0.00 -0.32 2.45 3.08 -0.97 -1.66 114.38 117.30 3gxf h ARG 163 Ca 0.43 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.45 3gxf h ARG 163 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3gxf h ARG 163 CO -0.48 0.63 0.07 0.00 -1.07 0.00 0.00 179.97 179.11 3gxf h ALA 164 N 1.37 0.42 -0.11 0.04 0.00 0.02 -2.21 119.26 118.79 3gxf h ALA 164 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3gxf h ALA 164 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3gxf h ALA 164 CO 0.08 0.10 -0.33 -0.07 0.00 0.00 0.00 179.25 179.03 3gxf h LEU 165 N 0.35 0.21 -0.86 0.00 3.38 -1.19 -0.12 115.31 117.09 3gxf h LEU 165 Ca 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3gxf h LEU 165 Cb 0.32 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3gxf h LEU 165 CO 0.00 0.54 0.27 1.56 0.09 0.00 0.00 178.44 180.90 3gxf h GLN 166 N 0.18 1.11 0.03 1.13 4.20 -1.12 -3.17 115.11 117.48 3gxf h GLN 166 Ca 0.02 -0.21 -0.22 0.00 0.06 0.00 0.00 58.65 58.30 3gxf h GLN 166 Cb 0.68 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3gxf h GLN 166 CO 0.05 0.92 -0.98 -0.07 -0.67 0.00 0.00 178.83 178.08 3gxf h LEU 167 N 1.08 0.35 -9.64 1.46 3.38 -1.01 -3.45 115.31 107.47 3gxf h LEU 167 Ca 0.24 -0.31 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 3gxf h LEU 167 Cb 0.25 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 40.92 3gxf h LEU 167 CO -0.02 1.14 0.71 0.00 0.09 0.00 0.00 178.44 180.36 3gxf s ALA 168 N -3.08 3.58 -0.13 1.53 0.00 -0.09 -4.24 121.76 119.33 3gxf s ALA 168 Ca -0.04 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 3gxf s ALA 168 Cb 0.09 -3.52 -0.25 0.00 0.00 0.00 0.00 23.12 19.44 3gxf s ALA 168 CO 0.85 -0.61 0.47 0.37 0.00 0.00 0.00 175.76 176.84 3gxf h GLN 169 N 5.85 0.18 -6.69 0.00 4.15 -1.87 -3.46 115.11 113.27 3gxf h GLN 169 Ca -0.44 -0.30 -0.57 0.00 0.77 0.00 0.00 58.65 58.11 3gxf h GLN 169 Cb 1.21 0.11 0.10 0.00 0.21 0.00 0.00 27.48 29.11 3gxf h GLN 169 CO 0.81 1.14 0.59 0.54 -1.93 0.00 0.00 178.83 179.99 3gxf n ARG 170 N -4.03 2.16 -1.93 1.69 1.74 -1.26 -4.98 116.66 110.05 3gxf n ARG 170 Ca -0.26 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 3gxf n ARG 170 Cb 0.84 -2.40 -0.01 0.00 -1.02 0.00 0.00 32.46 29.87 3gxf n ARG 170 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3gxf s PRO 171 N -1.11 4.21 -0.14 5.56 0.02 -1.26 -4.99 135.00 137.29 3gxf s PRO 171 Ca 0.62 2.42 -0.06 0.00 0.02 0.00 0.00 61.00 64.00 3gxf s PRO 171 Cb -0.59 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 30.85 3gxf s PRO 171 CO 0.55 -0.45 0.06 0.08 -0.33 0.00 0.00 177.00 176.92 3gxf s VAL 172 N -0.58 4.79 -0.11 3.83 1.01 -1.26 -4.82 120.40 123.26 3gxf s VAL 172 Ca 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3gxf s VAL 172 Cb -0.44 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3gxf s VAL 172 CO 0.52 0.53 -0.03 -0.44 0.00 0.00 0.00 175.10 175.69 3gxf s SER 173 N -0.25 4.97 -0.12 3.32 0.01 0.11 -4.96 113.70 116.78 3gxf s SER 173 Ca 0.08 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.31 3gxf s SER 173 Cb -0.12 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3gxf s SER 173 CO 0.02 0.30 0.07 -0.76 0.41 0.00 0.00 173.24 173.27 3gxf s LEU 174 N -0.41 3.93 -0.17 2.44 1.43 -1.26 -2.04 118.68 122.59 3gxf s LEU 174 Ca 0.07 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3gxf s LEU 174 Cb -0.12 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3gxf s LEU 174 CO 0.02 0.35 -0.18 -0.22 0.23 0.00 0.00 176.35 176.55 3gxf s LEU 175 N -0.67 2.26 -0.09 1.79 2.96 -0.63 -1.38 118.68 122.92 3gxf s LEU 175 Ca 0.12 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3gxf s LEU 175 Cb -0.12 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3gxf s LEU 175 CO 0.02 0.03 0.01 0.00 -1.32 0.00 0.00 176.35 175.10 3gxf s ALA 176 N 1.12 3.34 -0.03 5.97 0.00 -0.70 -0.10 121.76 131.35 3gxf s ALA 176 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3gxf s ALA 176 Cb -0.14 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3gxf s ALA 176 CO -0.07 0.58 -0.04 -1.12 0.00 0.00 0.00 175.76 175.11 3gxf s SER 177 N -0.85 0.78 0.20 0.00 0.01 -0.78 -0.92 113.70 112.15 3gxf s SER 177 Ca 0.13 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 3gxf s SER 177 Cb -0.11 -0.34 -0.08 0.00 0.21 0.00 0.00 66.02 65.70 3gxf s SER 177 CO 0.02 -0.04 0.62 -2.16 0.41 0.00 0.00 173.24 172.10 3gxf s PRO 178 N 0.72 4.02 -0.25 12.44 0.04 -1.26 -1.55 135.00 149.16 3gxf s PRO 178 Ca -0.09 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 3gxf s PRO 178 Cb -0.12 -2.80 -0.12 0.00 0.04 0.00 0.00 34.50 31.50 3gxf s PRO 178 CO -0.00 0.38 -0.23 0.91 0.04 0.00 0.00 177.00 178.10 3gxf n TRP 179 N 0.45 0.26 -3.98 0.56 8.01 -1.26 0.53 117.44 122.00 3gxf n TRP 179 Ca -0.02 0.11 -0.09 0.00 -1.31 0.00 0.00 57.50 56.19 3gxf n TRP 179 Cb 0.52 -0.94 -0.10 0.00 -2.01 0.00 0.00 31.31 28.77 3gxf n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxf s THR 180 N -2.52 0.13 0.59 -0.99 -1.32 -1.26 -2.88 115.64 107.39 3gxf s THR 180 Ca -0.34 -1.09 -0.05 0.00 -1.21 0.00 0.00 61.69 58.99 3gxf s THR 180 Cb 0.11 -0.61 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 3gxf s THR 180 CO 0.49 -0.60 0.90 -0.94 -2.21 0.00 0.00 174.62 172.26 3gxf s SER 181 N -1.83 5.51 0.22 8.08 1.04 -1.26 -4.97 113.70 120.49 3gxf s SER 181 Ca -0.10 0.64 -0.27 0.00 0.48 0.00 0.00 55.95 56.70 3gxf s SER 181 Cb -0.05 -1.60 -0.16 0.00 0.10 0.00 0.00 66.02 64.30 3gxf s SER 181 CO -0.03 -1.11 0.45 -2.65 0.98 0.00 0.00 173.24 170.89 3gxf n PRO 182 N -2.58 0.00 0.05 4.02 -0.02 -1.26 -4.83 135.00 130.37 3gxf n PRO 182 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3gxf n PRO 182 Cb 0.58 -0.98 0.40 0.00 -0.02 0.00 0.00 33.50 33.48 3gxf n PRO 182 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gxf n THR 183 N -0.12 0.31 1.37 3.45 -2.24 -1.26 -2.22 114.28 113.57 3gxf n THR 183 Ca 0.17 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gxf n THR 183 Cb 0.26 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3gxf n THR 183 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3gxf n TRP 184 N -1.93 0.00 -0.03 4.78 4.27 -1.26 -2.00 117.44 121.27 3gxf n TRP 184 Ca 0.05 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.69 3gxf n TRP 184 Cb 0.40 -0.05 0.07 0.00 -1.36 0.00 0.00 31.31 30.37 3gxf n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxf n LEU 185 N -0.23 2.28 -4.35 5.67 4.77 -0.94 -4.81 117.00 119.39 3gxf n LEU 185 Ca 0.00 -1.81 -0.33 0.00 -0.03 0.00 0.00 56.01 53.84 3gxf n LEU 185 Cb 0.11 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 3gxf n LEU 185 CO 0.00 0.56 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.61 3gxf s LYS 186 N -0.90 3.33 0.32 3.23 1.02 -0.85 -1.59 119.74 124.30 3gxf s LYS 186 Ca 0.11 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.43 3gxf s LYS 186 Cb 0.06 -2.58 0.85 0.00 -0.52 0.00 0.00 37.83 35.63 3gxf s LYS 186 CO 0.08 0.21 1.56 0.25 -0.92 0.00 0.00 175.35 176.53 3gxf n THR 187 N 3.52 -0.42 1.28 2.17 -2.24 -0.38 -0.70 114.28 117.51 3gxf n THR 187 Ca -0.18 2.17 0.13 0.00 -2.27 0.00 0.00 64.05 63.90 3gxf n THR 187 Cb 0.53 -3.22 0.38 0.00 -2.10 0.00 0.00 70.33 65.92 3gxf n THR 187 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gxf n ASN 188 N -5.46 2.01 -2.70 3.42 6.94 -1.26 -4.96 115.26 113.24 3gxf n ASN 188 Ca 0.26 -1.68 -0.11 0.00 -0.02 0.00 0.00 54.58 53.03 3gxf n ASN 188 Cb 0.84 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 38.23 3gxf n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxf n GLY 189 N 1.23 -0.49 3.21 4.83 0.00 0.12 -4.96 105.19 109.13 3gxf n GLY 189 Ca 0.17 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 3gxf n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxf s ALA 190 N -2.48 1.37 0.19 4.61 0.00 -1.26 -4.88 121.76 119.31 3gxf s ALA 190 Ca 0.10 -1.10 0.24 0.00 0.00 0.00 0.00 51.96 51.20 3gxf s ALA 190 Cb -0.06 -0.13 0.98 0.00 0.00 0.00 0.00 23.12 23.92 3gxf s ALA 190 CO 0.12 0.20 1.86 -0.39 0.00 0.00 0.00 175.76 177.55 3gxf h VAL 191 N 4.13 0.60 -0.73 0.00 -1.51 -1.92 -3.46 116.25 113.35 3gxf h VAL 191 Ca -0.42 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 63.98 3gxf h VAL 191 Cb 1.19 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3gxf h VAL 191 CO 0.41 0.22 0.00 -0.46 -1.23 0.00 0.00 177.57 176.52 3gxf n ASN 192 N -3.45 0.00 -1.27 4.19 0.23 -1.26 -3.21 115.26 110.49 3gxf n ASN 192 Ca -0.00 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.21 3gxf n ASN 192 Cb 0.41 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 3gxf n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxf n GLY 193 N 4.41 -2.57 3.59 4.83 0.00 0.32 -4.70 105.19 111.06 3gxf n GLY 193 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3gxf n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxf s LYS 194 N -3.11 3.10 -0.25 1.61 2.36 -1.24 -4.49 119.74 117.71 3gxf s LYS 194 Ca 0.00 1.25 -0.26 0.00 -2.55 0.00 0.00 55.97 54.41 3gxf s LYS 194 Cb 0.00 -4.27 0.13 0.00 -1.05 0.00 0.00 37.83 32.65 3gxf s LYS 194 CO 0.00 -2.14 1.08 0.20 1.55 0.00 0.00 175.35 176.04 3gxf s GLY 195 N 6.94 -0.11 0.00 5.54 0.00 -1.11 -4.69 107.32 113.88 3gxf s GLY 195 Ca 0.78 2.62 0.00 0.00 0.00 0.00 0.00 44.72 48.12 3gxf s GLY 195 CO 0.30 1.62 0.00 1.44 0.00 0.00 0.00 173.10 176.46 3gxf n SER 196 N 1.71 1.56 -4.78 1.64 7.64 -1.26 -1.47 113.62 118.66 3gxf n SER 196 Ca -0.11 -0.85 -0.32 0.00 1.01 0.00 0.00 58.87 58.60 3gxf n SER 196 Cb 0.57 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.83 3gxf n SER 196 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxf s LEU 197 N 0.00 3.20 0.42 -3.43 1.43 -1.26 -1.25 118.68 117.78 3gxf s LEU 197 Ca 0.00 1.86 -0.23 0.00 -1.03 0.00 0.00 54.13 54.74 3gxf s LEU 197 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 3gxf s LEU 197 CO 0.00 -1.78 1.03 -0.54 0.23 0.00 0.00 176.35 175.29 3gxf s LYS 198 N -4.58 4.09 4.40 1.70 1.02 -0.62 -4.35 119.74 121.40 3gxf s LYS 198 Ca 0.63 1.43 0.00 0.00 0.02 0.00 0.00 55.97 58.05 3gxf s LYS 198 Cb -0.18 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3gxf s LYS 198 CO 0.50 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 3gxf n GLY 199 N 0.11 0.57 3.12 -3.33 0.00 -1.26 -4.69 105.19 99.71 3gxf n GLY 199 Ca 0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3gxf n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gxf s GLN 200 N 0.00 0.48 0.46 1.61 0.00 -1.26 -5.11 119.66 115.84 3gxf s GLN 200 Ca 0.00 -0.31 -0.22 0.00 -0.00 0.00 0.00 55.36 54.83 3gxf s GLN 200 Cb 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 33.01 33.10 3gxf s GLN 200 CO 0.00 -0.11 0.68 -2.30 0.00 0.00 0.00 175.29 173.56 3gxf n PRO 201 N 1.58 0.77 0.00 9.60 -0.02 -1.26 -1.72 135.00 143.95 3gxf n PRO 201 Ca -0.22 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3gxf n PRO 201 Cb 0.56 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3gxf n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxf n GLY 202 N 1.61 2.76 0.00 -1.23 0.00 -1.26 -5.03 105.19 102.03 3gxf n GLY 202 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3gxf n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxf n ASP 203 N 0.63 -0.66 0.08 1.61 5.68 -0.70 -4.66 116.55 118.53 3gxf n ASP 203 Ca 0.00 -0.32 -0.20 0.00 -0.50 0.00 0.00 54.79 53.77 3gxf n ASP 203 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 3gxf n ASP 203 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3gxf h ILE 204 N -1.16 1.32 0.21 2.12 2.04 -1.95 -1.45 117.51 118.65 3gxf h ILE 204 Ca 0.00 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.39 3gxf h ILE 204 Cb 0.00 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3gxf h ILE 204 CO 0.00 0.74 -0.10 1.88 0.00 0.00 0.00 178.15 180.68 3gxf h TYR 205 N 0.28 -0.26 -0.62 1.37 -1.99 -1.92 -2.14 116.97 111.68 3gxf h TYR 205 Ca -0.15 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 3gxf h TYR 205 Cb 1.81 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 40.59 3gxf h TYR 205 CO 0.10 -0.03 0.21 0.45 -0.00 0.00 0.00 178.16 178.89 3gxf h HIS 206 N -0.45 0.95 -0.00 4.88 3.86 -1.83 0.38 115.15 122.93 3gxf h HIS 206 Ca -0.03 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 3gxf h HIS 206 Cb 0.34 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3gxf h HIS 206 CO -0.01 0.75 -0.43 1.96 0.86 0.00 0.00 177.93 181.06 3gxf h GLN 207 N 0.91 0.00 -0.03 2.45 1.08 -1.31 0.34 115.11 118.55 3gxf h GLN 207 Ca 0.21 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3gxf h GLN 207 Cb 0.23 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3gxf h GLN 207 CO -0.01 0.43 -0.04 1.15 -0.95 0.00 0.00 178.83 179.41 3gxf h THR 208 N 0.00 1.42 -0.06 -0.54 2.02 -0.46 -1.50 112.91 113.79 3gxf h THR 208 Ca -0.00 -1.31 0.02 0.00 0.77 0.00 0.00 66.41 65.89 3gxf h THR 208 Cb 0.76 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3gxf h THR 208 CO 0.06 0.35 -0.06 -0.25 0.37 0.00 0.00 175.52 175.99 3gxf h TRP 209 N -0.44 -0.14 -0.65 3.16 -0.00 -0.21 -0.72 115.95 116.94 3gxf h TRP 209 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.01 3gxf h TRP 209 Cb 0.59 0.07 -0.08 0.00 -0.00 0.00 0.00 29.16 29.74 3gxf h TRP 209 CO 0.11 -0.09 0.24 0.00 -0.00 0.00 0.00 178.44 178.70 3gxf h ALA 210 N 0.97 0.85 0.00 2.65 0.00 -1.00 -1.87 119.26 120.86 3gxf h ALA 210 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gxf h ALA 210 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gxf h ALA 210 CO -0.10 -0.20 -0.24 -0.09 0.00 0.00 0.00 179.25 178.62 3gxf h ARG 211 N 0.41 0.00 -0.41 0.00 2.43 -0.66 -2.45 114.38 113.70 3gxf h ARG 211 Ca 0.34 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.53 3gxf h ARG 211 Cb 0.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3gxf h ARG 211 CO -0.34 0.24 0.22 -0.92 -1.51 0.00 0.00 179.97 177.66 3gxf h TYR 212 N 0.00 0.41 -0.97 2.20 3.20 -0.30 0.13 116.97 121.64 3gxf h TYR 212 Ca -0.00 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.07 3gxf h TYR 212 Cb 0.44 -0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.48 3gxf h TYR 212 CO 0.00 0.22 0.57 0.74 -1.64 0.00 0.00 178.16 178.05 3gxf h PHE 213 N 0.45 0.99 0.03 -3.82 -1.00 -1.32 0.51 116.94 112.78 3gxf h PHE 213 Ca 0.17 0.03 -0.26 0.00 2.81 0.00 0.00 57.97 60.73 3gxf h PHE 213 Cb 0.06 -0.29 0.01 0.00 3.61 0.00 0.00 35.95 39.34 3gxf h PHE 213 CO -0.09 0.21 -1.05 0.28 -1.61 0.00 0.00 178.31 176.06 3gxf h VAL 214 N 0.72 1.34 -0.42 -0.55 2.07 -0.96 -2.16 116.25 116.30 3gxf h VAL 214 Ca 0.56 -2.40 0.06 0.00 0.82 0.00 0.00 66.70 65.73 3gxf h VAL 214 Cb 0.86 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 3gxf h VAL 214 CO -0.39 0.73 0.12 0.11 0.02 0.00 0.00 177.57 178.16 3gxf h LYS 215 N 0.30 0.26 0.28 1.57 1.79 -0.48 0.28 116.57 120.56 3gxf h LYS 215 Ca -0.12 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3gxf h LYS 215 Cb 1.70 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.27 3gxf h LYS 215 CO 0.19 0.17 -0.25 0.35 -1.08 0.00 0.00 179.45 178.84 3gxf h PHE 216 N 0.27 -0.66 -0.63 -1.35 3.57 -0.84 0.32 116.94 117.62 3gxf h PHE 216 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3gxf h PHE 216 Cb 0.21 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3gxf h PHE 216 CO -0.17 -0.37 0.39 -0.07 -2.23 0.00 0.00 178.31 175.86 3gxf h LEU 217 N -0.55 0.73 -0.05 0.59 3.38 -1.17 -1.25 115.31 117.00 3gxf h LEU 217 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gxf h LEU 217 Cb 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gxf h LEU 217 CO -0.04 0.55 0.03 0.44 0.09 0.00 0.00 178.44 179.51 3gxf h ASP 218 N 0.85 0.06 0.05 -0.43 3.32 -0.14 -1.83 116.42 118.30 3gxf h ASP 218 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3gxf h ASP 218 Cb -0.06 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3gxf h ASP 218 CO -0.05 0.08 -0.03 0.00 -1.72 0.00 0.00 179.24 177.52 3gxf h ALA 219 N 0.98 -0.08 -0.30 3.45 0.00 -0.21 -1.27 119.26 121.82 3gxf h ALA 219 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gxf h ALA 219 Cb 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gxf h ALA 219 CO -0.00 -0.55 -0.11 1.88 0.00 0.00 0.00 179.25 180.47 3gxf h TYR 220 N -0.08 0.54 -0.67 0.00 -1.99 -1.32 -2.20 116.97 111.24 3gxf h TYR 220 Ca -0.00 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.68 3gxf h TYR 220 Cb 0.07 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 3gxf h TYR 220 CO -0.08 0.60 0.44 0.00 -0.00 0.00 0.00 178.16 179.13 3gxf h ALA 221 N 1.42 1.63 0.00 3.88 0.00 -0.82 -0.58 119.26 124.79 3gxf h ALA 221 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gxf h ALA 221 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gxf h ALA 221 CO 0.03 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3gxf n GLU 222 N -4.46 0.17 -0.60 0.00 1.02 -0.53 -1.43 120.64 114.82 3gxf n GLU 222 Ca 0.08 0.53 0.09 0.00 -0.02 0.00 0.00 57.16 57.84 3gxf n GLU 222 Cb 0.13 -1.93 0.34 0.00 -0.02 0.00 0.00 31.44 29.96 3gxf n GLU 222 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gxf n HIS 223 N -2.28 1.42 -3.25 -0.32 8.25 -0.29 -4.93 115.22 113.83 3gxf n HIS 223 Ca 0.00 -0.66 -0.16 0.00 -0.26 0.00 0.00 57.72 56.64 3gxf n HIS 223 Cb 0.14 -0.28 0.06 0.00 1.12 0.00 0.00 29.99 31.03 3gxf n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxf n LYS 224 N 0.78 -5.69 -4.17 -0.41 4.76 -0.51 -5.03 118.16 107.89 3gxf n LYS 224 Ca 0.24 0.63 -0.22 0.00 -2.87 0.00 0.00 58.31 56.09 3gxf n LYS 224 Cb 0.90 -5.04 -0.17 0.00 -1.84 0.00 0.00 35.03 28.88 3gxf n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxf s LEU 225 N -5.60 1.29 0.07 -0.35 1.43 -0.82 -5.01 118.68 109.70 3gxf s LEU 225 Ca 0.30 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 3gxf s LEU 225 Cb -0.13 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3gxf s LEU 225 CO 0.55 -0.06 -0.16 -1.10 0.23 0.00 0.00 176.35 175.81 3gxf s GLN 226 N 1.07 2.05 -0.04 1.70 -1.52 -1.26 -2.64 119.66 119.02 3gxf s GLN 226 Ca -0.08 -1.02 -0.16 0.00 -1.95 0.00 0.00 55.36 52.15 3gxf s GLN 226 Cb -0.14 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.38 3gxf s GLN 226 CO -0.01 0.52 0.43 -0.06 -0.25 0.00 0.00 175.29 175.92 3gxf s PHE 227 N -1.04 3.66 0.07 0.91 0.40 -1.26 -4.50 117.98 116.21 3gxf s PHE 227 Ca 0.17 0.95 -0.25 0.00 -0.60 0.00 0.00 56.93 57.20 3gxf s PHE 227 Cb -0.11 -2.37 -0.16 0.00 0.51 0.00 0.00 43.02 40.89 3gxf s PHE 227 CO 0.08 0.49 1.62 2.35 0.70 0.00 0.00 175.22 180.46 3gxf h TRP 228 N 5.37 -0.18 -3.40 0.36 7.01 -1.57 -3.42 115.95 120.12 3gxf h TRP 228 Ca -0.48 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.49 3gxf h TRP 228 Cb 1.20 0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 28.23 3gxf h TRP 228 CO 0.68 -0.04 -0.01 0.00 -2.79 0.00 0.00 178.44 176.28 3gxf s ALA 229 N -5.83 -0.73 0.08 2.65 0.00 -1.05 -1.54 121.76 115.34 3gxf s ALA 229 Ca -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3gxf s ALA 229 Cb 0.05 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3gxf s ALA 229 CO 0.65 -0.84 -0.10 0.14 0.00 0.00 0.00 175.76 175.61 3gxf s VAL 230 N -3.92 0.85 0.18 0.00 -7.23 0.11 -1.72 120.40 108.66 3gxf s VAL 230 Ca 0.13 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3gxf s VAL 230 Cb -0.01 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 3gxf s VAL 230 CO 0.02 -0.50 0.33 0.42 -0.31 0.00 0.00 175.10 175.06 3gxf s THR 231 N -2.14 5.27 -0.81 5.32 -4.23 -0.09 -0.85 115.64 118.12 3gxf s THR 231 Ca 0.01 -0.59 0.22 0.00 -1.18 0.00 0.00 61.69 60.16 3gxf s THR 231 Cb -0.05 -3.75 0.21 0.00 1.34 0.00 0.00 72.50 70.25 3gxf s THR 231 CO -0.00 -0.15 1.68 0.00 -0.54 0.00 0.00 174.62 175.61 3gxf n ALA 232 N -0.67 1.89 0.00 3.99 0.00 -0.62 -4.44 120.51 120.66 3gxf n ALA 232 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gxf n ALA 232 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3gxf n ALA 232 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gxf n GLU 233 N -1.84 0.00 -2.28 0.00 4.07 -1.26 -4.92 120.64 114.41 3gxf n GLU 233 Ca 0.04 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.72 3gxf n GLU 233 Cb 0.26 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.61 3gxf n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxf s ASN 234 N 0.00 6.92 -0.76 4.31 2.47 0.19 -4.18 114.94 123.88 3gxf s ASN 234 Ca 0.00 2.11 -0.03 0.00 0.42 0.00 0.00 52.86 55.36 3gxf s ASN 234 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 3gxf s ASN 234 CO 0.00 -0.63 0.58 -0.62 -3.72 0.00 0.00 177.10 172.70 3gxf n GLU 235 N 4.70 -1.50 0.03 0.43 1.02 0.52 -4.77 120.64 121.06 3gxf n GLU 235 Ca 0.12 0.75 0.04 0.00 -0.02 0.00 0.00 57.16 58.05 3gxf n GLU 235 Cb 0.44 -2.09 0.44 0.00 -0.02 0.00 0.00 31.44 30.21 3gxf n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxf h PRO 236 N -0.07 0.47 0.00 3.49 0.13 -1.75 -2.32 132.00 131.95 3gxf h PRO 236 Ca -0.61 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3gxf h PRO 236 Cb 1.34 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gxf h PRO 236 CO 0.34 0.34 -0.01 0.66 -0.23 0.00 0.00 178.00 179.09 3gxf h SER 237 N 0.49 0.00 -0.61 1.44 4.64 -1.88 -2.84 113.55 114.78 3gxf h SER 237 Ca 0.13 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 3gxf h SER 237 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3gxf h SER 237 CO -0.02 0.01 0.04 0.00 -0.87 0.00 0.00 176.83 175.99 3gxf h ALA 238 N 1.99 0.90 -0.01 5.18 0.00 -1.76 -2.76 119.26 122.80 3gxf h ALA 238 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gxf h ALA 238 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gxf h ALA 238 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3gxf n GLY 239 N -0.51 0.95 0.67 0.00 0.00 -1.21 -2.08 105.19 103.02 3gxf n GLY 239 Ca 0.03 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3gxf n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxf n LEU 240 N -0.10 2.39 -4.68 0.99 4.77 -1.04 -2.74 117.00 116.58 3gxf n LEU 240 Ca 0.00 -0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 54.65 3gxf n LEU 240 Cb 0.20 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3gxf n LEU 240 CO 0.00 0.42 -0.23 -0.76 -1.33 0.00 0.00 177.39 175.49 3gxf s LEU 241 N -1.50 3.94 0.26 2.23 1.43 -0.88 -4.96 118.68 119.19 3gxf s LEU 241 Ca 0.20 0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 53.14 3gxf s LEU 241 Cb 0.14 -1.99 -0.12 0.00 0.03 0.00 0.00 46.19 44.25 3gxf s LEU 241 CO 0.23 0.21 1.58 -0.24 0.23 0.00 0.00 176.35 178.36 3gxf n SER 242 N 3.33 3.64 -4.18 2.29 2.88 -1.26 -2.39 113.62 117.92 3gxf n SER 242 Ca -0.17 1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 58.20 3gxf n SER 242 Cb 0.52 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 62.35 3gxf n SER 242 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gxf n GLY 243 N 2.52 -0.18 3.72 0.46 0.00 -1.26 -4.79 105.19 105.65 3gxf n GLY 243 Ca 0.11 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3gxf n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxf n TYR 244 N -4.39 2.76 -0.01 1.61 9.36 -1.01 -4.62 117.16 120.86 3gxf n TYR 244 Ca -0.29 0.03 -0.08 0.00 3.32 0.00 0.00 57.90 60.88 3gxf n TYR 244 Cb 0.64 -2.68 0.08 0.00 -0.63 0.00 0.00 39.34 36.75 3gxf n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxf h PRO 245 N 6.82 0.57 -6.43 2.98 0.13 -1.92 0.93 132.00 135.09 3gxf h PRO 245 Ca -0.43 -0.32 -0.46 0.00 -0.87 0.00 0.00 66.00 63.92 3gxf h PRO 245 Cb 1.20 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.36 3gxf h PRO 245 CO 0.96 0.92 -0.26 -0.06 -0.23 0.00 0.00 178.00 179.32 3gxf s PHE 246 N -4.14 3.38 -0.20 1.56 2.99 -1.26 -4.84 117.98 115.46 3gxf s PHE 246 Ca -0.07 0.14 -0.41 0.00 0.00 0.00 0.00 56.93 56.58 3gxf s PHE 246 Cb 0.12 -1.89 -0.18 0.00 0.00 0.00 0.00 43.02 41.06 3gxf s PHE 246 CO 0.83 0.11 1.46 1.04 -0.00 0.00 0.00 175.22 178.66 3gxf n GLN 247 N -1.71 0.55 -3.93 0.44 3.00 -1.26 -4.45 117.38 110.03 3gxf n GLN 247 Ca -0.04 0.20 -0.16 0.00 -0.01 0.00 0.00 57.00 56.99 3gxf n GLN 247 Cb 0.57 -1.78 -0.06 0.00 0.00 0.00 0.00 30.24 28.97 3gxf n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxf s LEU 249 N 0.00 -1.17 0.07 0.00 2.96 -1.14 -4.10 118.68 115.29 3gxf s LEU 249 Ca 0.33 0.22 -0.31 0.00 -0.22 0.00 0.00 54.13 54.15 3gxf s LEU 249 Cb 0.01 1.78 -0.06 0.00 0.50 0.00 0.00 46.19 48.42 3gxf s LEU 249 CO 0.23 -0.21 1.21 -0.83 -1.32 0.00 0.00 176.35 175.43 3gxf s GLY 250 N 2.88 2.39 -0.02 7.98 0.00 -0.54 -4.61 107.32 115.39 3gxf s GLY 250 Ca 0.16 0.86 0.06 0.00 0.00 0.00 0.00 44.72 45.80 3gxf s GLY 250 CO -0.24 2.05 -0.19 -1.36 0.00 0.00 0.00 173.10 173.37 3gxf s PHE 251 N 1.05 1.69 0.65 1.90 0.40 -1.08 -4.38 117.98 118.22 3gxf s PHE 251 Ca 0.59 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 3gxf s PHE 251 Cb -0.30 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 3gxf s PHE 251 CO 0.29 -0.06 1.05 0.95 0.70 0.00 0.00 175.22 178.16 3gxf s THR 252 N -0.35 4.26 0.38 0.64 -4.23 -1.26 -4.21 115.64 110.88 3gxf s THR 252 Ca 0.05 0.74 0.11 0.00 -1.18 0.00 0.00 61.69 61.40 3gxf s THR 252 Cb -0.08 -3.72 0.33 0.00 1.34 0.00 0.00 72.50 70.37 3gxf s THR 252 CO -0.00 -0.96 1.91 1.55 -0.54 0.00 0.00 174.62 176.57 3gxf h PRO 253 N -0.45 0.59 -0.70 3.99 0.13 -1.98 -1.49 132.00 132.08 3gxf h PRO 253 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gxf h PRO 253 Cb 1.21 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3gxf h PRO 253 CO 0.62 0.39 0.45 0.93 -0.23 0.00 0.00 178.00 180.16 3gxf h GLU 254 N 0.61 0.93 -0.05 0.86 3.07 -1.94 -0.87 114.58 117.19 3gxf h GLU 254 Ca 0.39 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 59.02 3gxf h GLU 254 Cb 0.66 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3gxf h GLU 254 CO -0.15 0.63 -0.71 1.25 -1.40 0.00 0.00 179.01 178.63 3gxf h HIS 255 N 0.95 0.34 0.11 4.33 2.76 -1.67 -0.42 115.15 121.54 3gxf h HIS 255 Ca 0.25 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3gxf h HIS 255 Cb -0.08 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.83 3gxf h HIS 255 CO -0.02 0.87 -0.05 0.37 -1.30 0.00 0.00 177.93 177.80 3gxf h GLN 256 N 0.17 -0.14 -0.71 5.26 4.15 -1.18 0.30 115.11 122.96 3gxf h GLN 256 Ca -0.02 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.56 3gxf h GLN 256 Cb 1.26 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.87 3gxf h GLN 256 CO 0.11 0.08 0.13 -0.09 -1.93 0.00 0.00 178.83 177.13 3gxf h ARG 257 N -0.34 0.22 0.00 1.69 2.43 -1.00 0.28 114.38 117.66 3gxf h ARG 257 Ca -0.01 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 3gxf h ARG 257 Cb 0.28 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3gxf h ARG 257 CO 0.02 0.14 -0.93 -0.44 -1.51 0.00 0.00 179.97 177.26 3gxf h ASP 258 N 0.22 0.45 -0.03 -3.80 3.32 -0.98 -1.71 116.42 113.89 3gxf h ASP 258 Ca 0.40 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gxf h ASP 258 Cb 0.68 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3gxf h ASP 258 CO -0.53 1.16 0.01 0.15 -1.72 0.00 0.00 179.24 178.32 3gxf h PHE 259 N 0.19 0.05 0.03 4.55 3.57 -0.05 0.43 116.94 125.72 3gxf h PHE 259 Ca -0.07 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.45 3gxf h PHE 259 Cb 1.56 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 3gxf h PHE 259 CO 0.05 0.23 -0.22 0.82 -2.23 0.00 0.00 178.31 176.96 3gxf h ILE 260 N -0.15 0.48 0.38 1.41 2.04 -0.51 0.21 117.51 121.37 3gxf h ILE 260 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3gxf h ILE 260 Cb 0.21 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3gxf h ILE 260 CO -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 177.79 3gxf h ALA 261 N 0.47 -1.05 -0.10 1.87 0.00 -1.14 -0.88 119.26 118.43 3gxf h ALA 261 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3gxf h ALA 261 Cb 0.44 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gxf h ALA 261 CO -0.19 -1.07 -0.11 0.00 0.00 0.00 0.00 179.25 177.88 3gxf h ARG 262 N -0.74 0.25 0.00 0.00 2.47 -0.20 -3.39 114.38 112.77 3gxf h ARG 262 Ca -0.05 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3gxf h ARG 262 Cb 0.64 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3gxf h ARG 262 CO -0.03 0.68 -0.35 -0.25 0.56 0.00 0.00 179.97 180.58 3gxf n ASP 263 N -4.63 1.01 -0.04 7.04 8.00 0.54 -4.62 116.55 123.85 3gxf n ASP 263 Ca -0.07 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 3gxf n ASP 263 Cb 0.34 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 3gxf n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxf h LEU 264 N -0.35 0.29 0.58 0.64 5.85 -1.11 -1.28 115.31 119.93 3gxf h LEU 264 Ca 0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 3gxf h LEU 264 Cb 0.35 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.30 3gxf h LEU 264 CO 0.00 0.75 -0.28 1.23 -0.34 0.00 0.00 178.44 179.80 3gxf h GLY 265 N -0.17 -0.81 -0.39 3.75 0.00 -1.37 -2.45 103.07 101.62 3gxf h GLY 265 Ca 0.01 0.30 0.13 0.00 0.00 0.00 0.00 47.33 47.77 3gxf h GLY 265 CO 0.03 -0.30 -0.23 -2.55 0.00 0.00 0.00 176.54 173.50 3gxf h PRO 266 N -0.86 -0.06 -0.54 4.80 0.11 -1.72 0.36 132.00 134.09 3gxf h PRO 266 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3gxf h PRO 266 Cb 0.63 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3gxf h PRO 266 CO 0.13 -0.04 0.27 1.15 -0.21 0.00 0.00 178.00 179.31 3gxf h THR 267 N -0.06 1.19 -0.28 -1.15 2.02 -1.19 -0.96 112.91 112.49 3gxf h THR 267 Ca 0.30 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3gxf h THR 267 Cb 0.52 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3gxf h THR 267 CO -0.70 0.22 -0.11 -0.07 0.37 0.00 0.00 175.52 175.23 3gxf h LEU 268 N 0.73 0.58 -0.59 2.58 3.38 -1.10 -2.92 115.31 117.97 3gxf h LEU 268 Ca 0.19 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3gxf h LEU 268 Cb 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gxf h LEU 268 CO -0.03 0.84 0.34 0.00 0.09 0.00 0.00 178.44 179.68 3gxf h ALA 269 N 0.75 0.77 0.00 1.53 0.00 -0.85 -2.05 119.26 119.42 3gxf h ALA 269 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gxf h ALA 269 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gxf h ALA 269 CO 0.04 0.04 0.00 -1.71 0.00 0.00 0.00 179.25 177.62 3gxf n ASN 270 N -4.78 0.00 -4.82 0.00 5.15 -0.37 -4.71 115.26 105.72 3gxf n ASN 270 Ca 0.06 -0.84 -0.25 0.00 -0.60 0.00 0.00 54.58 52.95 3gxf n ASN 270 Cb 0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.32 3gxf n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxf s SER 271 N -1.80 4.58 0.00 1.20 1.04 -0.77 -5.01 113.70 112.94 3gxf s SER 271 Ca 0.21 -1.12 0.17 0.00 0.48 0.00 0.00 55.95 55.68 3gxf s SER 271 Cb 0.09 -0.12 0.75 0.00 0.10 0.00 0.00 66.02 66.84 3gxf s SER 271 CO 0.16 -0.77 1.51 0.35 0.98 0.00 0.00 173.24 175.47 3gxf n THR 272 N -1.47 0.75 -1.01 2.02 -2.24 -1.26 -3.22 114.28 107.84 3gxf n THR 272 Ca -0.02 0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.71 3gxf n THR 272 Cb 0.64 -0.91 0.12 0.00 -2.10 0.00 0.00 70.33 68.09 3gxf n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxf n HIS 273 N -1.42 2.67 0.19 4.78 8.25 -1.26 -4.60 115.22 123.81 3gxf n HIS 273 Ca 0.05 -2.06 0.06 0.00 -0.26 0.00 0.00 57.72 55.51 3gxf n HIS 273 Cb 0.17 -1.03 0.31 0.00 1.12 0.00 0.00 29.99 30.57 3gxf n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxf h HIS 274 N 1.23 0.00 0.00 4.41 -0.00 -1.58 -2.59 115.15 116.62 3gxf h HIS 274 Ca 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.88 3gxf h HIS 274 Cb 1.92 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.33 3gxf h HIS 274 CO 1.32 0.36 -0.09 -0.91 -0.00 0.00 0.00 177.93 178.61 3gxf h ASN 275 N 0.00 0.00 -2.65 3.10 2.35 -1.89 -3.45 115.58 113.05 3gxf h ASN 275 Ca -0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.22 3gxf h ASN 275 Cb 0.95 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.37 3gxf h ASN 275 CO 0.05 0.09 1.02 -0.69 -1.65 0.00 0.00 177.43 176.25 3gxf s VAL 276 N -3.75 2.28 0.52 2.81 1.01 -0.98 -4.96 120.40 117.33 3gxf s VAL 276 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 3gxf s VAL 276 Cb 0.10 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 3gxf s VAL 276 CO 0.57 0.01 0.99 -0.13 0.00 0.00 0.00 175.10 176.54 3gxf s ARG 277 N 1.67 3.92 -0.19 2.72 1.81 -0.59 -4.90 118.95 123.38 3gxf s ARG 277 Ca 0.76 0.97 -0.02 0.00 -1.72 0.00 0.00 55.73 55.72 3gxf s ARG 277 Cb -0.48 -2.13 -0.00 0.00 -0.45 0.00 0.00 34.95 31.89 3gxf s ARG 277 CO 0.33 -0.30 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.38 3gxf s LEU 278 N -4.08 2.64 -0.12 2.53 2.96 -1.26 -0.71 118.68 120.63 3gxf s LEU 278 Ca 0.59 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3gxf s LEU 278 Cb -0.10 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3gxf s LEU 278 CO 0.31 0.02 0.04 -0.76 -1.32 0.00 0.00 176.35 174.65 3gxf s LEU 279 N 1.20 3.78 0.57 -0.68 1.43 -0.03 -1.54 118.68 123.40 3gxf s LEU 279 Ca 0.02 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3gxf s LEU 279 Cb -0.14 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.25 3gxf s LEU 279 CO -0.04 0.32 0.78 0.00 0.23 0.00 0.00 176.35 177.64 3gxf s MET 280 N -0.51 2.32 2.06 1.70 0.23 -0.74 -1.58 119.30 122.78 3gxf s MET 280 Ca 0.10 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.28 3gxf s MET 280 Cb -0.12 -2.62 0.00 0.00 -1.53 0.00 0.00 34.83 30.56 3gxf s MET 280 CO 0.02 -0.83 0.00 -0.11 -2.03 0.00 0.00 175.02 172.07 3gxf n LEU 281 N -2.26 0.00 -3.24 0.18 7.94 -1.26 -0.41 117.00 117.95 3gxf n LEU 281 Ca 0.14 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.89 3gxf n LEU 281 Cb 0.61 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.64 3gxf n LEU 281 CO 0.40 0.00 0.08 -0.67 -1.11 0.00 0.00 177.39 176.09 3gxf n ASP 282 N 4.08 -3.20 -3.13 1.96 2.03 0.68 -4.33 116.55 114.65 3gxf n ASP 282 Ca 0.00 -0.60 -0.09 0.00 0.52 0.00 0.00 54.79 54.61 3gxf n ASP 282 Cb 0.00 -4.87 0.01 0.00 -0.72 0.00 0.00 41.12 35.54 3gxf n ASP 282 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gxf s ASP 283 N -4.03 0.11 0.65 1.67 -1.08 -1.21 -0.36 116.67 112.43 3gxf s ASP 283 Ca 0.12 -1.12 -0.17 0.00 -0.52 0.00 0.00 52.55 50.85 3gxf s ASP 283 Cb -0.02 0.80 -0.05 0.00 -1.46 0.00 0.00 42.92 42.20 3gxf s ASP 283 CO 0.69 -1.57 0.72 0.00 0.52 0.00 0.00 175.17 175.53 3gxf n GLN 284 N -0.52 0.55 0.00 4.34 1.13 -1.26 -0.25 117.38 121.37 3gxf n GLN 284 Ca -0.06 0.23 0.13 0.00 -1.94 0.00 0.00 57.00 55.36 3gxf n GLN 284 Cb 0.60 -1.96 0.52 0.00 0.11 0.00 0.00 30.24 29.51 3gxf n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3gxf n ARG 285 N -0.84 0.01 0.16 -1.09 1.85 -1.24 -2.97 116.66 112.54 3gxf n ARG 285 Ca 0.12 0.01 0.11 0.00 -1.00 0.00 0.00 57.85 57.09 3gxf n ARG 285 Cb 0.49 -1.51 0.56 0.00 -1.05 0.00 0.00 32.46 30.95 3gxf n ARG 285 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3gxf n LEU 286 N -1.54 0.55 -0.32 2.89 -0.00 -1.26 -1.18 117.00 116.14 3gxf n LEU 286 Ca 0.07 0.75 0.14 0.00 -0.00 0.00 0.00 56.01 56.97 3gxf n LEU 286 Cb 0.34 -0.81 0.60 0.00 -0.00 0.00 0.00 43.42 43.55 3gxf n LEU 286 CO 0.29 -0.91 0.89 0.18 -0.00 0.00 0.00 177.39 177.84 3gxf n LEU 287 N -2.23 1.04 -4.74 1.47 4.77 -1.16 -4.78 117.00 111.37 3gxf n LEU 287 Ca -0.01 -0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.32 3gxf n LEU 287 Cb 0.05 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3gxf n LEU 287 CO 0.10 0.18 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.30 3gxf s LEU 288 N -2.12 3.75 0.42 2.23 1.43 -0.32 -0.55 118.68 123.52 3gxf s LEU 288 Ca 0.37 0.10 0.23 0.00 -1.03 0.00 0.00 54.13 53.80 3gxf s LEU 288 Cb 0.21 -2.14 0.70 0.00 0.03 0.00 0.00 46.19 44.99 3gxf s LEU 288 CO 0.38 0.28 1.73 -0.65 0.23 0.00 0.00 176.35 178.33 3gxf h PRO 289 N 4.27 0.00 -0.69 1.29 0.11 -1.76 -3.41 132.00 131.81 3gxf h PRO 289 Ca -0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3gxf h PRO 289 Cb 1.18 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3gxf h PRO 289 CO 0.60 0.21 -0.57 1.25 -0.21 0.00 0.00 178.00 179.28 3gxf h HIS 290 N 0.00 -1.78 -0.75 0.65 2.76 -1.91 -1.34 115.15 112.77 3gxf h HIS 290 Ca -0.00 0.10 0.14 0.00 -2.20 0.00 0.00 60.37 58.41 3gxf h HIS 290 Cb 0.89 0.87 -0.09 0.00 1.55 0.00 0.00 27.41 30.63 3gxf h HIS 290 CO 0.00 -0.43 0.31 -1.49 -1.30 0.00 0.00 177.93 175.02 3gxf h TRP 291 N -0.20 0.53 -0.74 5.26 4.06 -1.19 -1.32 115.95 122.35 3gxf h TRP 291 Ca 0.11 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 3gxf h TRP 291 Cb 0.50 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3gxf h TRP 291 CO -0.87 0.08 0.32 0.00 -3.56 0.00 0.00 178.44 174.41 3gxf h ALA 292 N 1.54 0.96 -0.55 1.49 0.00 -1.52 -2.35 119.26 118.83 3gxf h ALA 292 Ca 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gxf h ALA 292 Cb 0.60 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gxf h ALA 292 CO -0.39 0.56 0.28 0.87 0.00 0.00 0.00 179.25 180.57 3gxf h LYS 293 N 1.06 0.77 0.67 0.00 1.57 -0.33 0.79 116.57 121.11 3gxf h LYS 293 Ca 0.25 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3gxf h LYS 293 Cb 0.17 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3gxf h LYS 293 CO -0.03 0.61 -0.32 0.28 -0.57 0.00 0.00 179.45 179.42 3gxf h VAL 294 N 0.73 0.33 -0.37 0.50 2.07 -1.17 -3.04 116.25 115.30 3gxf h VAL 294 Ca 0.19 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.54 3gxf h VAL 294 Cb 0.08 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3gxf h VAL 294 CO -0.03 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.85 3gxf h VAL 295 N -0.93 1.28 0.00 2.57 2.07 -1.37 -3.37 116.25 116.50 3gxf h VAL 295 Ca -0.09 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 3gxf h VAL 295 Cb 0.70 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3gxf h VAL 295 CO 0.15 0.49 -1.21 -0.07 0.02 0.00 0.00 177.57 176.95 3gxf h LEU 296 N 0.66 0.00 0.00 2.57 3.38 -0.91 -3.14 115.31 117.87 3gxf h LEU 296 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gxf h LEU 296 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3gxf h LEU 296 CO 0.08 0.31 0.00 0.35 0.09 0.00 0.00 178.44 179.27 3gxf n THR 297 N -2.80 0.02 -3.36 0.22 -2.24 -1.15 -4.57 114.28 100.40 3gxf n THR 297 Ca -0.05 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 3gxf n THR 297 Cb 0.71 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 3gxf n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxf s ASP 298 N -2.10 6.16 0.49 3.42 -1.08 -1.19 -4.99 116.67 117.39 3gxf s ASP 298 Ca 0.40 -1.25 0.14 0.00 -0.52 0.00 0.00 52.55 51.32 3gxf s ASP 298 Cb 0.20 -2.20 1.16 0.00 -1.46 0.00 0.00 42.92 40.62 3gxf s ASP 298 CO 0.35 -0.67 2.11 -0.65 0.52 0.00 0.00 175.17 176.83 3gxf h PRO 299 N 8.78 0.10 -0.12 4.34 0.11 -1.86 0.38 132.00 143.73 3gxf h PRO 299 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3gxf h PRO 299 Cb 1.11 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3gxf h PRO 299 CO 0.88 0.09 -0.16 0.93 -0.21 0.00 0.00 178.00 179.53 3gxf h GLU 300 N 0.10 0.20 0.00 1.05 4.39 -1.94 -2.38 114.58 116.01 3gxf h GLU 300 Ca 0.03 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3gxf h GLU 300 Cb 0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3gxf h GLU 300 CO -0.00 0.37 -0.36 0.00 -1.16 0.00 0.00 179.01 177.86 3gxf h ALA 301 N 1.65 0.07 -0.91 3.43 0.00 -1.37 -3.40 119.26 118.74 3gxf h ALA 301 Ca 0.04 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.41 3gxf h ALA 301 Cb 0.41 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 3gxf h ALA 301 CO 0.03 0.21 0.58 0.00 0.00 0.00 0.00 179.25 180.07 3gxf h ALA 302 N -0.23 1.71 -0.38 0.00 0.00 -1.03 -2.09 119.26 117.23 3gxf h ALA 302 Ca -0.09 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3gxf h ALA 302 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3gxf h ALA 302 CO -0.06 0.07 0.58 1.57 0.00 0.00 0.00 179.25 181.42 3gxf h LYS 303 N 0.81 0.00 0.00 0.00 2.10 -1.63 -1.99 116.57 115.87 3gxf h LYS 303 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3gxf h LYS 303 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3gxf h LYS 303 CO -0.21 0.00 -0.97 0.66 -2.00 0.00 0.00 179.45 176.94 3gxf n TYR 304 N -3.35 0.00 -3.66 0.07 0.53 -0.79 -4.92 117.16 105.05 3gxf n TYR 304 Ca 0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.56 3gxf n TYR 304 Cb 0.74 -0.03 -0.12 0.00 -1.03 0.00 0.00 39.34 38.90 3gxf n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxf s VAL 305 N -2.84 4.43 0.10 -0.72 1.01 -0.75 -4.43 120.40 117.20 3gxf s VAL 305 Ca 0.06 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3gxf s VAL 305 Cb 0.14 -3.36 -0.25 0.00 0.00 0.00 0.00 36.38 32.92 3gxf s VAL 305 CO 0.79 -0.06 1.21 -0.74 0.00 0.00 0.00 175.10 176.30 3gxf h HIS 306 N 8.35 0.27 -3.05 5.22 2.76 -1.58 -3.49 115.15 123.63 3gxf h HIS 306 Ca -0.29 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 57.65 3gxf h HIS 306 Cb 1.12 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3gxf h HIS 306 CO 0.61 1.14 0.26 0.20 -1.30 0.00 0.00 177.93 178.84 3gxf s GLY 307 N -4.67 0.47 -0.23 5.26 0.00 -1.17 -3.59 107.32 103.38 3gxf s GLY 307 Ca -0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3gxf s GLY 307 CO 0.85 -0.36 -0.06 -0.42 0.00 0.00 0.00 173.10 173.11 3gxf s ILE 308 N -2.18 3.04 -0.00 0.90 1.01 0.54 -1.79 121.20 122.73 3gxf s ILE 308 Ca 0.16 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 3gxf s ILE 308 Cb -0.05 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3gxf s ILE 308 CO 0.12 0.32 0.57 0.00 0.00 0.00 0.00 174.94 175.95 3gxf s ALA 309 N 1.39 3.51 0.04 9.38 0.00 0.46 -1.88 121.76 134.66 3gxf s ALA 309 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 51.96 52.08 3gxf s ALA 309 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 3gxf s ALA 309 CO -0.05 0.20 -0.25 0.14 0.00 0.00 0.00 175.76 175.81 3gxf s VAL 310 N -0.30 2.03 -0.04 0.00 -7.23 0.22 -0.23 120.40 114.85 3gxf s VAL 310 Ca 0.30 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 3gxf s VAL 310 Cb -0.18 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3gxf s VAL 310 CO 0.17 0.34 0.35 -1.00 -0.31 0.00 0.00 175.10 174.65 3gxf s HIS 311 N -0.79 3.68 -0.37 2.82 3.76 0.65 0.20 115.29 125.24 3gxf s HIS 311 Ca 0.11 0.87 -0.10 0.00 -0.15 0.00 0.00 55.06 55.78 3gxf s HIS 311 Cb -0.10 -2.24 0.03 0.00 1.11 0.00 0.00 32.58 31.38 3gxf s HIS 311 CO 0.02 0.61 0.19 -1.58 -0.85 0.00 0.00 174.74 173.13 3gxf s TRP 312 N -0.88 3.24 -0.49 1.40 0.52 -0.01 -3.69 118.94 119.02 3gxf s TRP 312 Ca 0.22 -0.99 0.05 0.00 0.02 0.00 0.00 56.10 55.39 3gxf s TRP 312 Cb -0.15 -2.42 0.18 0.00 -1.15 0.00 0.00 33.47 29.93 3gxf s TRP 312 CO 0.11 -0.65 0.41 0.98 0.02 0.00 0.00 176.95 177.82 3gxf n TYR 313 N 4.98 0.34 -0.09 -1.98 -0.00 -1.26 -3.46 117.16 115.69 3gxf n TYR 313 Ca -0.12 -3.61 0.00 0.00 -0.00 0.00 0.00 57.90 54.17 3gxf n TYR 313 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 3gxf n TYR 313 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 3gxf n LEU 314 N 2.40 0.00 -2.20 2.98 7.94 -1.26 -3.23 117.00 123.63 3gxf n LEU 314 Ca 0.27 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.88 3gxf n LEU 314 Cb 0.45 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.51 3gxf n LEU 314 CO 0.15 0.00 1.26 -0.90 -1.11 0.00 0.00 177.39 176.79 3gxf n ASP 315 N 0.00 5.97 0.00 1.96 5.75 -1.26 -4.81 116.55 124.16 3gxf n ASP 315 Ca 0.00 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.05 3gxf n ASP 315 Cb 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 3gxf n ASP 315 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3gxf n PHE 316 N -0.99 0.00 -4.65 2.11 3.01 -1.20 -5.01 117.46 110.74 3gxf n PHE 316 Ca 0.59 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.74 3gxf n PHE 316 Cb 1.01 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.40 3gxf n PHE 316 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3gxf s LEU 317 N -0.35 2.48 0.69 4.37 2.96 -1.26 -5.09 118.68 122.48 3gxf s LEU 317 Ca 0.00 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.20 3gxf s LEU 317 Cb 0.00 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.86 3gxf s LEU 317 CO 0.00 -0.77 1.09 0.00 -1.32 0.00 0.00 176.35 175.35 3gxf n ALA 318 N -1.23 0.26 -1.74 5.97 0.00 -1.26 -4.94 120.51 117.57 3gxf n ALA 318 Ca -0.14 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 3gxf n ALA 318 Cb 0.67 -2.19 0.01 0.00 0.00 0.00 0.00 19.45 17.94 3gxf n ALA 318 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gxf n PRO 319 N -1.87 2.22 -0.13 0.00 -0.04 -1.26 -4.93 135.00 128.98 3gxf n PRO 319 Ca 0.14 0.79 -0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3gxf n PRO 319 Cb 0.49 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 3gxf n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxf h ALA 320 N 2.35 0.56 -0.48 0.55 0.00 -1.98 -3.24 119.26 117.02 3gxf h ALA 320 Ca -0.50 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 3gxf h ALA 320 Cb 1.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3gxf h ALA 320 CO 0.61 0.57 -0.09 -0.22 0.00 0.00 0.00 179.25 180.12 3gxf h LYS 321 N 0.68 0.90 0.00 0.00 3.64 -1.95 -0.35 116.57 119.49 3gxf h LYS 321 Ca 0.08 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3gxf h LYS 321 Cb 0.83 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3gxf h LYS 321 CO 0.07 0.98 0.00 0.00 -2.27 0.00 0.00 179.45 178.23 3gxf n ALA 322 N -2.47 2.26 -0.36 5.00 0.00 -1.24 0.02 120.51 123.72 3gxf n ALA 322 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gxf n ALA 322 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gxf n ALA 322 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gxf n THR 323 N -1.74 0.00 -0.06 0.00 -2.24 -1.15 -4.27 114.28 104.83 3gxf n THR 323 Ca 0.06 0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3gxf n THR 323 Cb 0.35 -1.04 0.04 0.00 -2.10 0.00 0.00 70.33 67.58 3gxf n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxf h LEU 324 N 0.00 0.80 0.08 3.22 3.38 -1.28 -1.76 115.31 119.75 3gxf h LEU 324 Ca 0.00 -0.36 -0.22 0.00 0.09 0.00 0.00 57.88 57.39 3gxf h LEU 324 Cb 0.00 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.55 3gxf h LEU 324 CO 0.00 1.09 -0.91 1.23 0.09 0.00 0.00 178.44 179.94 3gxf h GLY 325 N 0.93 0.54 1.76 0.83 0.00 -0.90 -2.46 103.07 103.76 3gxf h GLY 325 Ca 0.05 -1.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.14 3gxf h GLY 325 CO 0.09 0.97 -0.60 -2.09 0.00 0.00 0.00 176.54 174.90 3gxf h GLU 326 N -0.00 0.25 -0.33 4.80 4.57 -0.48 -1.86 114.58 121.52 3gxf h GLU 326 Ca -0.14 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 57.76 3gxf h GLU 326 Cb 1.63 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 3gxf h GLU 326 CO 0.18 0.78 -0.28 1.15 -1.18 0.00 0.00 179.01 179.65 3gxf h THR 327 N 0.18 1.28 -0.41 0.32 2.02 -1.35 -1.79 112.91 113.16 3gxf h THR 327 Ca -0.01 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 3gxf h THR 327 Cb 1.11 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3gxf h THR 327 CO 0.09 0.45 0.05 -0.74 0.37 0.00 0.00 175.52 175.74 3gxf h HIS 328 N 0.58 0.75 -0.60 3.16 -0.00 -1.23 -0.80 115.15 117.01 3gxf h HIS 328 Ca 0.07 -0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3gxf h HIS 328 Cb 0.77 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 3gxf h HIS 328 CO 0.04 0.74 0.38 -0.09 -0.00 0.00 0.00 177.93 178.99 3gxf h ARG 329 N 0.55 0.73 -0.01 5.26 2.43 -0.97 -0.80 114.38 121.57 3gxf h ARG 329 Ca 0.12 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 3gxf h ARG 329 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3gxf h ARG 329 CO 0.01 0.49 -0.82 -0.07 -1.51 0.00 0.00 179.97 178.07 3gxf h LEU 330 N 0.76 0.21 -6.00 3.80 3.38 -1.23 -3.37 115.31 112.85 3gxf h LEU 330 Ca 0.23 -0.16 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 3gxf h LEU 330 Cb -0.02 -0.06 -0.39 0.00 0.09 0.00 0.00 40.66 40.27 3gxf h LEU 330 CO -0.08 0.94 -1.10 0.49 0.09 0.00 0.00 178.44 178.78 3gxf n PHE 331 N -3.68 -0.13 0.25 1.13 3.01 -0.32 -4.98 117.46 112.74 3gxf n PHE 331 Ca -0.03 -3.62 0.10 0.00 1.01 0.00 0.00 57.45 54.92 3gxf n PHE 331 Cb 0.77 -0.37 0.50 0.00 -0.01 0.00 0.00 39.48 40.37 3gxf n PHE 331 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gxf n PRO 332 N 1.23 0.14 -0.19 -1.08 -0.04 -0.32 -2.72 135.00 132.03 3gxf n PRO 332 Ca 0.22 0.53 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 3gxf n PRO 332 Cb 0.54 -1.87 0.19 0.00 -0.04 0.00 0.00 33.50 32.31 3gxf n PRO 332 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gxf n ASN 333 N -2.16 3.12 -4.22 3.54 3.02 -1.26 -4.85 115.26 112.45 3gxf n ASN 333 Ca 0.00 -1.92 -0.35 0.00 -0.03 0.00 0.00 54.58 52.29 3gxf n ASN 333 Cb 0.11 -0.25 -0.14 0.00 -0.61 0.00 0.00 39.78 38.88 3gxf n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxf s THR 334 N -1.11 2.96 0.53 3.41 2.01 -1.10 -5.04 115.64 117.30 3gxf s THR 334 Ca 0.31 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 3gxf s THR 334 Cb 0.17 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 3gxf s THR 334 CO 0.23 0.26 1.23 0.00 -0.69 0.00 0.00 174.62 175.65 3gxf s MET 335 N 1.36 3.30 -0.10 4.92 0.23 -1.24 -4.74 119.30 123.03 3gxf s MET 335 Ca 0.02 1.92 -0.06 0.00 -1.03 0.00 0.00 55.69 56.54 3gxf s MET 335 Cb -0.16 -2.19 -0.04 0.00 -1.53 0.00 0.00 34.83 30.91 3gxf s MET 335 CO -0.05 -0.97 0.12 -0.51 -2.03 0.00 0.00 175.02 171.59 3gxf s LEU 336 N -3.55 4.24 -0.02 0.18 1.43 -1.26 -0.34 118.68 119.37 3gxf s LEU 336 Ca 0.71 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 3gxf s LEU 336 Cb -0.32 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3gxf s LEU 336 CO 0.38 0.39 0.04 0.12 0.23 0.00 0.00 176.35 177.51 3gxf s PHE 337 N -1.04 -0.03 -0.41 0.29 5.36 -0.79 -0.67 117.98 120.69 3gxf s PHE 337 Ca 0.16 0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 56.06 3gxf s PHE 337 Cb -0.12 -0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 3gxf s PHE 337 CO 0.05 -0.05 0.67 0.00 -1.46 0.00 0.00 175.22 174.43 3gxf s ALA 338 N 0.40 3.38 -0.70 11.12 0.00 -0.60 0.70 121.76 136.06 3gxf s ALA 338 Ca -0.03 -1.03 0.22 0.00 0.00 0.00 0.00 51.96 51.11 3gxf s ALA 338 Cb -0.05 -3.29 -0.22 0.00 0.00 0.00 0.00 23.12 19.56 3gxf s ALA 338 CO -0.01 -1.65 0.81 -1.13 0.00 0.00 0.00 175.76 173.78 3gxf n SER 339 N 6.27 0.68 -3.56 0.00 3.41 0.13 -1.27 113.62 119.28 3gxf n SER 339 Ca -0.01 -0.64 -0.01 0.00 -0.26 0.00 0.00 58.87 57.96 3gxf n SER 339 Cb 0.48 1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 3gxf n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxf s GLU 340 N -3.16 0.47 0.10 4.33 2.12 -1.10 -4.65 118.70 116.81 3gxf s GLU 340 Ca 0.03 1.09 0.06 0.00 0.36 0.00 0.00 54.97 56.51 3gxf s GLU 340 Cb 0.15 0.55 -0.03 0.00 0.26 0.00 0.00 34.13 35.06 3gxf s GLU 340 CO 0.87 -0.15 -0.15 0.00 -0.54 0.00 0.00 175.26 175.29 3gxf s ALA 341 N 2.43 1.44 0.14 6.30 0.00 -1.11 -0.83 121.76 130.13 3gxf s ALA 341 Ca -0.06 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 3gxf s ALA 341 Cb -0.08 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.00 3gxf s ALA 341 CO -0.18 0.16 0.65 0.00 0.00 0.00 0.00 175.76 176.40 3gxf s VAL 343 N -3.65 0.23 -0.10 0.00 -7.23 -1.26 -4.29 120.40 104.10 3gxf s VAL 343 Ca 0.02 -0.75 -0.32 0.00 -1.81 0.00 0.00 61.98 59.13 3gxf s VAL 343 Cb -0.01 -0.32 0.12 0.00 0.56 0.00 0.00 36.38 36.73 3gxf s VAL 343 CO -0.11 -0.33 1.05 -0.83 -0.31 0.00 0.00 175.10 174.56 3gxf s GLY 344 N -1.14 -0.36 0.00 2.32 0.00 -1.23 0.28 107.32 107.19 3gxf s GLY 344 Ca -0.10 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.01 3gxf s GLY 344 CO -0.00 0.49 0.00 1.44 0.00 0.00 0.00 173.10 175.03 3gxf n SER 345 N -0.08 -0.41 -3.81 1.64 7.64 -1.19 -4.42 113.62 112.99 3gxf n SER 345 Ca -0.05 -0.05 -0.23 0.00 1.01 0.00 0.00 58.87 59.55 3gxf n SER 345 Cb 0.60 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.95 3gxf n SER 345 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gxf n LYS 346 N -0.45 -0.74 0.13 1.43 4.76 -1.26 -4.90 118.16 117.12 3gxf n LYS 346 Ca 0.00 -1.95 0.09 0.00 -2.87 0.00 0.00 58.31 53.57 3gxf n LYS 346 Cb 0.00 -0.97 0.46 0.00 -1.84 0.00 0.00 35.03 32.68 3gxf n LYS 346 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 3gxf n PHE 347 N -3.26 0.57 0.36 2.13 -1.74 -1.26 -1.02 117.46 113.24 3gxf n PHE 347 Ca 0.14 0.30 0.08 0.00 -0.56 0.00 0.00 57.45 57.41 3gxf n PHE 347 Cb 0.50 -0.96 0.12 0.00 1.52 0.00 0.00 39.48 40.66 3gxf n PHE 347 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 3gxf n TRP 348 N -2.09 0.23 -4.70 2.97 2.14 -1.26 -4.92 117.44 109.80 3gxf n TRP 348 Ca -0.01 -0.17 -0.30 0.00 2.07 0.00 0.00 57.50 59.09 3gxf n TRP 348 Cb 0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 31.31 30.42 3gxf n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxf s GLU 349 N -1.24 1.81 0.31 -2.67 2.02 -0.19 -5.11 118.70 113.63 3gxf s GLU 349 Ca 0.24 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 3gxf s GLU 349 Cb 0.15 -2.04 -0.13 0.00 0.10 0.00 0.00 34.13 32.21 3gxf s GLU 349 CO 0.21 0.51 1.22 1.04 0.02 0.00 0.00 175.26 178.26 3gxf n GLN 350 N 1.48 1.88 -0.31 1.61 6.02 -1.26 -4.75 117.38 122.05 3gxf n GLN 350 Ca -0.17 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3gxf n GLN 350 Cb 0.52 -2.19 0.05 0.00 1.02 0.00 0.00 30.24 29.64 3gxf n GLN 350 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3gxf n SER 351 N 1.11 -0.48 -4.43 1.08 7.64 -1.26 -4.41 113.62 112.87 3gxf n SER 351 Ca 0.07 1.40 -0.34 0.00 1.01 0.00 0.00 58.87 61.01 3gxf n SER 351 Cb 0.34 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3gxf n SER 351 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gxf s VAL 352 N -5.80 3.55 -0.24 0.44 1.01 -1.26 -1.93 120.40 116.17 3gxf s VAL 352 Ca -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3gxf s VAL 352 Cb 0.17 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3gxf s VAL 352 CO 0.58 0.50 -0.04 -0.13 0.00 0.00 0.00 175.10 176.01 3gxf s ARG 353 N 0.48 1.53 -0.39 2.72 0.52 -1.26 -5.06 118.95 117.48 3gxf s ARG 353 Ca -0.06 -0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 3gxf s ARG 353 Cb -0.15 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.78 3gxf s ARG 353 CO 0.03 -0.62 1.35 -0.51 0.02 0.00 0.00 175.30 175.57 3gxf s LEU 354 N 1.43 3.67 0.00 2.53 1.43 -1.26 -2.57 118.68 123.90 3gxf s LEU 354 Ca -0.05 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3gxf s LEU 354 Cb -0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3gxf s LEU 354 CO -0.07 -1.32 0.00 0.61 0.23 0.00 0.00 176.35 175.80 3gxf n GLY 355 N 4.85 0.82 3.56 -3.19 0.00 -1.26 -4.17 105.19 105.80 3gxf n GLY 355 Ca 0.15 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3gxf n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxf s SER 356 N -2.19 5.32 0.32 1.61 0.15 -1.06 -1.33 113.70 116.52 3gxf s SER 356 Ca 0.00 0.55 -0.00 0.00 0.70 0.00 0.00 55.95 57.20 3gxf s SER 356 Cb 0.00 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.31 3gxf s SER 356 CO 0.00 -2.30 1.98 -0.25 1.20 0.00 0.00 173.24 173.87 3gxf h TRP 357 N 14.92 0.94 -0.64 3.44 2.91 -1.89 -2.82 115.95 132.80 3gxf h TRP 357 Ca -0.27 0.02 0.03 0.00 1.13 0.00 0.00 58.89 59.80 3gxf h TRP 357 Cb 1.17 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 3gxf h TRP 357 CO 1.02 0.59 0.42 0.22 -1.03 0.00 0.00 178.44 179.66 3gxf h ASP 358 N 1.01 0.67 0.61 2.65 3.58 -1.98 -1.55 116.42 121.41 3gxf h ASP 358 Ca 0.28 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 3gxf h ASP 358 Cb -0.10 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 3gxf h ASP 358 CO -0.06 0.46 -0.67 0.03 -2.88 0.00 0.00 179.24 176.12 3gxf h ARG 359 N 0.77 0.05 0.48 0.28 3.08 -1.90 -0.50 114.38 116.64 3gxf h ARG 359 Ca 0.25 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 3gxf h ARG 359 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gxf h ARG 359 CO -0.07 0.70 -0.23 0.78 -1.07 0.00 0.00 179.97 180.08 3gxf h GLY 360 N 1.90 -0.68 -0.66 0.04 0.00 -1.28 -2.44 103.07 99.94 3gxf h GLY 360 Ca -0.01 0.25 0.25 0.00 0.00 0.00 0.00 47.33 47.82 3gxf h GLY 360 CO 0.09 -0.25 0.13 -0.33 0.00 0.00 0.00 176.54 176.19 3gxf h MET 361 N -1.02 0.10 -0.65 4.80 2.86 -1.30 0.11 114.93 119.83 3gxf h MET 361 Ca -0.07 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3gxf h MET 361 Cb 0.59 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 3gxf h MET 361 CO 0.11 0.06 0.37 1.96 1.06 0.00 0.00 176.91 180.47 3gxf h GLN 362 N 0.10 0.67 0.02 1.72 4.20 -0.95 0.24 115.11 121.12 3gxf h GLN 362 Ca 0.56 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.24 3gxf h GLN 362 Cb 1.15 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3gxf h GLN 362 CO -0.77 0.44 -0.05 1.88 -0.67 0.00 0.00 178.83 179.67 3gxf h TYR 363 N 0.69 -0.12 -0.26 2.96 -1.99 -0.33 -2.37 116.97 115.55 3gxf h TYR 363 Ca 0.29 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.89 3gxf h TYR 363 Cb 0.15 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 3gxf h TYR 363 CO -0.07 -0.08 -0.34 0.66 -0.00 0.00 0.00 178.16 178.33 3gxf h SER 364 N -0.10 0.75 -0.74 3.88 4.64 -1.14 -1.09 113.55 119.75 3gxf h SER 364 Ca 0.01 -0.50 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 3gxf h SER 364 Cb 0.11 -0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 61.90 3gxf h SER 364 CO -0.03 1.10 0.32 -0.74 -0.87 0.00 0.00 176.83 176.61 3gxf h HIS 365 N 0.42 0.56 0.00 4.77 -0.00 -0.53 -1.40 115.15 118.97 3gxf h HIS 365 Ca 0.03 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.23 3gxf h HIS 365 Cb 0.92 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.16 3gxf h HIS 365 CO 0.08 0.12 -1.16 1.03 -0.00 0.00 0.00 177.93 177.99 3gxf h SER 366 N 0.50 0.00 -0.23 3.26 0.87 -1.20 -2.27 113.55 114.47 3gxf h SER 366 Ca 0.39 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3gxf h SER 366 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3gxf h SER 366 CO -0.36 0.86 0.09 0.40 -0.53 0.00 0.00 176.83 177.29 3gxf h ILE 367 N 0.00 1.17 -0.15 2.23 2.04 -0.97 -1.82 117.51 120.00 3gxf h ILE 367 Ca -0.10 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3gxf h ILE 367 Cb 1.75 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 3gxf h ILE 367 CO 0.09 0.17 0.02 0.40 0.00 0.00 0.00 178.15 178.83 3gxf h ILE 368 N 0.22 0.91 -0.65 -0.67 2.04 -1.11 -0.97 117.51 117.29 3gxf h ILE 368 Ca 0.08 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 66.03 3gxf h ILE 368 Cb 0.19 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 3gxf h ILE 368 CO -0.01 0.01 0.18 0.74 0.00 0.00 0.00 178.15 179.08 3gxf h THR 369 N 0.07 0.65 -0.05 -0.27 2.02 -1.39 -0.32 112.91 113.62 3gxf h THR 369 Ca 0.07 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3gxf h THR 369 Cb 0.07 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 3gxf h THR 369 CO -0.11 0.06 -0.50 0.78 0.37 0.00 0.00 175.52 176.13 3gxf h ASN 370 N 0.32 -1.54 -0.49 4.18 -0.26 -0.84 -1.90 115.58 115.05 3gxf h ASN 370 Ca 0.34 0.18 0.10 0.00 -0.56 0.00 0.00 56.30 56.36 3gxf h ASN 370 Cb 0.51 0.60 -0.09 0.00 -1.06 0.00 0.00 38.32 38.27 3gxf h ASN 370 CO -0.40 -0.49 -0.11 -0.07 -1.06 0.00 0.00 177.43 175.31 3gxf h LEU 371 N -0.61 -0.43 -1.78 1.61 3.38 -0.73 -0.78 115.31 115.98 3gxf h LEU 371 Ca 0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3gxf h LEU 371 Cb 0.69 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3gxf h LEU 371 CO -0.38 -0.15 0.00 -0.07 0.09 0.00 0.00 178.44 177.93 3gxf h LEU 372 N 0.01 0.00 -4.12 1.67 3.38 -0.91 -2.95 115.31 112.39 3gxf h LEU 372 Ca 0.24 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.66 3gxf h LEU 372 Cb 0.37 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.69 3gxf h LEU 372 CO -0.50 0.00 -0.80 -1.22 0.09 0.00 0.00 178.44 176.01 3gxf n TYR 373 N -2.51 2.94 -0.91 1.13 4.02 -0.33 -4.99 117.16 116.51 3gxf n TYR 373 Ca -0.01 -2.58 0.00 0.00 -0.01 0.00 0.00 57.90 55.29 3gxf n TYR 373 Cb 0.07 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 3gxf n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxf n HIS 374 N -0.60 0.00 -2.09 -0.72 8.25 -1.12 -4.62 115.22 114.31 3gxf n HIS 374 Ca 0.40 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 3gxf n HIS 374 Cb 0.84 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 3gxf n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxf s VAL 375 N -2.64 2.99 -1.34 1.59 1.01 -1.00 -4.35 120.40 116.65 3gxf s VAL 375 Ca 0.00 0.76 0.24 0.00 0.00 0.00 0.00 61.98 62.97 3gxf s VAL 375 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3gxf s VAL 375 CO 0.00 0.08 1.24 1.33 0.00 0.00 0.00 175.10 177.75 3gxf n VAL 376 N 3.30 0.00 -3.48 2.92 0.24 0.15 -4.48 118.33 116.98 3gxf n VAL 376 Ca 0.10 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 3gxf n VAL 376 Cb 0.41 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 3gxf n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxf s GLY 377 N -2.81 -0.50 -0.09 7.63 0.00 -1.26 0.10 107.32 110.39 3gxf s GLY 377 Ca 0.14 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 3gxf s GLY 377 CO 0.69 0.31 0.18 0.86 0.00 0.00 0.00 173.10 175.14 3gxf s TRP 378 N -3.23 -0.23 -0.13 1.90 -0.11 -0.54 -1.56 118.94 115.05 3gxf s TRP 378 Ca 0.04 0.65 -0.00 0.00 1.22 0.00 0.00 56.10 58.01 3gxf s TRP 378 Cb -0.01 -0.15 0.02 0.00 -1.50 0.00 0.00 33.47 31.83 3gxf s TRP 378 CO -0.10 -0.25 -0.10 -0.08 -4.62 0.00 0.00 176.95 171.80 3gxf s THR 379 N 1.93 1.23 0.98 5.86 -1.32 -0.40 -2.43 115.64 121.48 3gxf s THR 379 Ca -0.02 -0.42 -0.12 0.00 -1.21 0.00 0.00 61.69 59.93 3gxf s THR 379 Cb -0.12 -1.20 0.18 0.00 -1.51 0.00 0.00 72.50 69.85 3gxf s THR 379 CO -0.06 0.40 1.08 -0.62 -2.21 0.00 0.00 174.62 173.21 3gxf s ASP 380 N 1.61 2.71 0.00 8.08 2.15 0.19 -2.72 116.67 128.69 3gxf s ASP 380 Ca 0.05 1.49 0.00 0.00 0.43 0.00 0.00 52.55 54.52 3gxf s ASP 380 Cb -0.13 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3gxf s ASP 380 CO -0.09 -3.12 0.00 1.87 -0.17 0.00 0.00 175.17 173.66 3gxf n TRP 381 N -4.20 0.00 -1.60 -5.34 -0.00 -0.87 -2.83 117.44 102.60 3gxf n TRP 381 Ca 0.06 0.00 -0.57 0.00 -0.00 0.00 0.00 57.50 56.99 3gxf n TRP 381 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.79 3gxf n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxf n ASN 382 N 0.00 1.17 -0.01 5.87 3.02 -1.26 -0.57 115.26 123.48 3gxf n ASN 382 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 3gxf n ASN 382 Cb 0.00 -1.06 0.30 0.00 -0.61 0.00 0.00 39.78 38.41 3gxf n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxf h LEU 383 N 4.53 0.51 -7.44 3.41 3.38 -1.72 -3.42 115.31 114.55 3gxf h LEU 383 Ca -0.48 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 3gxf h LEU 383 Cb 1.37 -0.13 -0.23 0.00 0.09 0.00 0.00 40.66 41.76 3gxf h LEU 383 CO 0.79 0.56 -0.31 0.00 0.09 0.00 0.00 178.44 179.57 3gxf s ALA 384 N -5.03 -0.81 0.20 1.53 0.00 -1.26 -3.88 121.76 112.51 3gxf s ALA 384 Ca -0.08 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3gxf s ALA 384 Cb 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3gxf s ALA 384 CO 0.76 -0.20 0.04 -0.51 0.00 0.00 0.00 175.76 175.86 3gxf s LEU 385 N -0.41 1.88 0.86 0.00 1.43 -0.75 -3.56 118.68 118.12 3gxf s LEU 385 Ca -0.05 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 3gxf s LEU 385 Cb -0.04 0.03 0.11 0.00 0.03 0.00 0.00 46.19 46.32 3gxf s LEU 385 CO 0.02 -0.65 1.15 0.54 0.23 0.00 0.00 176.35 177.64 3gxf s ASN 386 N -3.21 4.00 0.15 2.29 2.20 -0.31 0.41 114.94 120.48 3gxf s ASN 386 Ca 0.29 0.92 0.12 0.00 -0.94 0.00 0.00 52.86 53.25 3gxf s ASN 386 Cb 0.07 -1.47 0.62 0.00 -2.00 0.00 0.00 41.25 38.47 3gxf s ASN 386 CO 0.07 -2.24 1.38 -2.65 -2.94 0.00 0.00 177.10 170.72 3gxf n PRO 387 N -3.55 0.07 0.03 3.55 -0.02 -1.24 -0.71 135.00 133.13 3gxf n PRO 387 Ca 0.07 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3gxf n PRO 387 Cb 0.60 -1.72 0.10 0.00 -0.02 0.00 0.00 33.50 32.46 3gxf n PRO 387 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gxf n GLU 388 N -1.87 0.22 -0.75 -0.52 4.71 -1.26 -4.69 120.64 116.48 3gxf n GLU 388 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3gxf n GLU 388 Cb 0.05 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 3gxf n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxf n GLY 389 N 1.39 1.12 1.63 0.62 0.00 0.12 -4.67 105.19 105.39 3gxf n GLY 389 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 3gxf n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxf n GLY 390 N -1.43 3.67 3.76 -0.02 0.00 -1.26 -4.52 105.19 105.39 3gxf n GLY 390 Ca 0.00 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 3gxf n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxf s PRO 391 N -2.75 4.55 -0.10 1.61 0.04 -1.26 -1.17 135.00 135.92 3gxf s PRO 391 Ca 0.11 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 3gxf s PRO 391 Cb 0.01 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.56 3gxf s PRO 391 CO 0.08 0.17 0.01 1.21 0.04 0.00 0.00 177.00 178.50 3gxf s ASN 392 N -1.13 1.88 0.16 6.66 3.84 -1.26 -4.22 114.94 120.87 3gxf s ASN 392 Ca 0.48 -0.24 0.12 0.00 0.21 0.00 0.00 52.86 53.42 3gxf s ASN 392 Cb -0.28 -0.49 0.62 0.00 -0.55 0.00 0.00 41.25 40.55 3gxf s ASN 392 CO 0.36 -0.21 1.37 -2.67 -2.79 0.00 0.00 177.10 173.15 3gxf n TRP 393 N 5.12 0.38 -0.01 0.43 4.27 -0.81 -3.88 117.44 122.94 3gxf n TRP 393 Ca -0.08 0.19 -0.05 0.00 -3.89 0.00 0.00 57.50 53.67 3gxf n TRP 393 Cb 0.49 -0.81 -0.02 0.00 -1.36 0.00 0.00 31.31 29.62 3gxf n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxf n VAL 394 N -1.88 0.69 -3.65 -1.67 0.31 -1.26 -5.08 118.33 105.79 3gxf n VAL 394 Ca -0.00 0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.41 3gxf n VAL 394 Cb 0.04 -1.65 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 3gxf n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gxf s ARG 395 N -2.15 0.03 0.14 5.55 3.52 -1.25 -5.14 118.95 119.65 3gxf s ARG 395 Ca -0.08 0.05 -0.31 0.00 -0.13 0.00 0.00 55.73 55.26 3gxf s ARG 395 Cb 0.02 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.34 3gxf s ARG 395 CO 0.11 -0.01 1.36 -0.80 -0.81 0.00 0.00 175.30 175.15 3gxf s ASN 396 N 0.83 6.85 0.00 -2.12 0.01 -1.26 -4.87 114.94 114.37 3gxf s ASN 396 Ca -0.05 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 54.46 3gxf s ASN 396 Cb -0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3gxf s ASN 396 CO -0.11 -0.61 0.00 2.22 -1.51 0.00 0.00 177.10 177.09 3gxf n PHE 397 N 3.48 0.00 -4.23 2.20 -1.74 -1.26 -4.84 117.46 111.06 3gxf n PHE 397 Ca 0.10 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.79 3gxf n PHE 397 Cb 0.42 0.01 -0.12 0.00 1.52 0.00 0.00 39.48 41.32 3gxf n PHE 397 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3gxf s VAL 398 N 0.00 1.36 0.76 1.97 -7.23 -1.26 -3.18 120.40 112.82 3gxf s VAL 398 Ca 0.00 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 3gxf s VAL 398 Cb 0.00 -1.40 0.13 0.00 0.56 0.00 0.00 36.38 35.67 3gxf s VAL 398 CO 0.00 -0.27 1.05 -0.62 -0.31 0.00 0.00 175.10 174.94 3gxf s ASP 399 N -2.12 4.20 -0.10 4.85 -1.08 0.82 -4.54 116.67 118.70 3gxf s ASP 399 Ca 0.05 -0.16 -0.17 0.00 -0.52 0.00 0.00 52.55 51.75 3gxf s ASP 399 Cb -0.08 -0.20 0.04 0.00 -1.46 0.00 0.00 42.92 41.22 3gxf s ASP 399 CO 0.03 -1.97 0.42 -0.55 0.52 0.00 0.00 175.17 173.62 3gxf s SER 400 N -4.73 -0.39 0.58 -0.34 0.15 -1.26 -4.72 113.70 102.99 3gxf s SER 400 Ca 0.67 0.58 0.30 0.00 0.70 0.00 0.00 55.95 58.19 3gxf s SER 400 Cb -0.06 0.64 1.77 0.00 -1.71 0.00 0.00 66.02 66.67 3gxf s SER 400 CO 0.46 -0.32 2.23 -0.65 1.20 0.00 0.00 173.24 176.16 3gxf h PRO 401 N 4.57 0.00 -5.10 5.44 0.11 -1.81 -3.38 132.00 131.82 3gxf h PRO 401 Ca -0.28 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.17 3gxf h PRO 401 Cb 1.17 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.94 3gxf h PRO 401 CO 0.31 0.02 -0.86 0.42 -0.21 0.00 0.00 178.00 177.68 3gxf s ILE 402 N -4.53 1.95 -0.16 4.15 1.01 -1.25 0.38 121.20 122.74 3gxf s ILE 402 Ca -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3gxf s ILE 402 Cb 0.15 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3gxf s ILE 402 CO 0.55 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 175.34 3gxf s ILE 403 N 0.90 3.68 -0.20 2.92 -1.09 -0.28 -1.81 121.20 125.32 3gxf s ILE 403 Ca -0.06 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 3gxf s ILE 403 Cb -0.15 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 3gxf s ILE 403 CO -0.03 0.48 0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 3gxf s VAL 404 N 0.58 4.64 -0.89 2.92 1.01 0.17 -0.63 120.40 128.19 3gxf s VAL 404 Ca -0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3gxf s VAL 404 Cb -0.15 -3.11 0.22 0.00 0.00 0.00 0.00 36.38 33.35 3gxf s VAL 404 CO 0.03 0.42 0.80 -0.62 0.00 0.00 0.00 175.10 175.72 3gxf s ASP 405 N 0.77 6.30 0.23 3.32 -1.08 0.07 -3.65 116.67 122.62 3gxf s ASP 405 Ca 0.03 -3.39 -0.07 0.00 -0.52 0.00 0.00 52.55 48.61 3gxf s ASP 405 Cb -0.13 -2.02 0.36 0.00 -1.46 0.00 0.00 42.92 39.67 3gxf s ASP 405 CO 0.02 -0.30 1.75 0.16 0.52 0.00 0.00 175.17 177.33 3gxf h ILE 406 N 4.28 0.76 -0.00 4.11 3.07 -1.87 -1.63 117.51 126.23 3gxf h ILE 406 Ca 0.13 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.37 3gxf h ILE 406 Cb 0.89 0.22 -0.00 0.00 -0.27 0.00 0.00 36.82 37.66 3gxf h ILE 406 CO 0.85 0.09 0.31 0.71 -1.05 0.00 0.00 178.15 179.06 3gxf h THR 407 N 0.49 0.00 -0.02 0.16 1.35 -1.94 0.20 112.91 113.16 3gxf h THR 407 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 3gxf h THR 407 Cb 0.47 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3gxf h THR 407 CO -0.33 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.23 3gxf n LYS 408 N -2.91 2.51 -4.30 4.72 5.02 -0.66 -4.98 118.16 117.55 3gxf n LYS 408 Ca -0.02 -1.85 -0.38 0.00 -2.02 0.00 0.00 58.31 54.03 3gxf n LYS 408 Cb 0.36 -1.17 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 3gxf n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxf n ASP 409 N -0.72 -2.44 -4.33 4.39 2.03 0.70 -4.95 116.55 111.24 3gxf n ASP 409 Ca 0.05 -1.06 -0.22 0.00 0.52 0.00 0.00 54.79 54.08 3gxf n ASP 409 Cb 0.38 -2.06 -0.12 0.00 -0.72 0.00 0.00 41.12 38.61 3gxf n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxf s THR 410 N -3.20 1.82 0.10 5.18 -4.23 -0.92 -3.89 115.64 110.50 3gxf s THR 410 Ca 0.76 -1.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 3gxf s THR 410 Cb -0.43 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3gxf s THR 410 CO 0.93 -0.25 -0.19 0.72 -0.54 0.00 0.00 174.62 175.29 3gxf s PHE 411 N -1.83 1.64 -0.18 3.99 -0.12 -0.01 -0.75 117.98 120.72 3gxf s PHE 411 Ca 0.14 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 3gxf s PHE 411 Cb -0.07 -0.90 0.01 0.00 -0.63 0.00 0.00 43.02 41.43 3gxf s PHE 411 CO 0.06 0.17 -0.18 0.71 -0.05 0.00 0.00 175.22 175.94 3gxf s TYR 412 N -1.23 2.79 -0.43 3.49 1.51 0.20 -1.01 117.35 122.68 3gxf s TYR 412 Ca 0.05 -1.49 -0.25 0.00 -1.01 0.00 0.00 57.07 54.36 3gxf s TYR 412 Cb -0.10 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 3gxf s TYR 412 CO 0.04 -0.74 0.92 0.15 -1.11 0.00 0.00 175.55 174.81 3gxf s LYS 413 N 1.25 3.63 0.66 -0.62 1.02 -0.41 -1.13 119.74 124.15 3gxf s LYS 413 Ca 0.04 0.29 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 3gxf s LYS 413 Cb -0.14 -3.88 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 3gxf s LYS 413 CO -0.10 -1.13 1.13 -0.65 -0.92 0.00 0.00 175.35 173.68 3gxf s GLN 414 N 3.65 2.76 0.34 1.68 -1.52 0.16 -1.66 119.66 125.07 3gxf s GLN 414 Ca 0.37 1.48 0.13 0.00 -1.95 0.00 0.00 55.36 55.39 3gxf s GLN 414 Cb -0.11 -1.94 1.10 0.00 -0.22 0.00 0.00 33.01 31.85 3gxf s GLN 414 CO 0.24 -1.30 1.58 -1.35 -0.25 0.00 0.00 175.29 174.21 3gxf h PRO 415 N 0.13 0.02 -0.98 2.91 0.11 -1.83 -1.77 132.00 130.58 3gxf h PRO 415 Ca -0.47 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.78 3gxf h PRO 415 Cb 1.26 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3gxf h PRO 415 CO 0.54 0.01 0.59 0.52 -0.21 0.00 0.00 178.00 179.45 3gxf h MET 416 N 0.02 0.85 -0.21 1.05 2.86 -1.87 0.15 114.93 117.78 3gxf h MET 416 Ca 0.75 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.36 3gxf h MET 416 Cb 1.83 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 3gxf h MET 416 CO -0.83 0.56 0.03 0.35 1.06 0.00 0.00 176.91 178.09 3gxf h PHE 417 N 0.88 0.05 -0.30 -0.22 3.57 -1.52 -1.50 116.94 117.90 3gxf h PHE 417 Ca 0.51 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.90 3gxf h PHE 417 Cb 0.62 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3gxf h PHE 417 CO -0.02 0.01 -0.31 1.88 -2.23 0.00 0.00 178.31 177.64 3gxf h TYR 418 N 0.11 0.89 -0.89 0.41 -1.99 -1.25 -1.30 116.97 112.95 3gxf h TYR 418 Ca 0.09 -0.27 0.08 0.00 2.00 0.00 0.00 58.73 60.64 3gxf h TYR 418 Cb 0.10 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 38.57 3gxf h TYR 418 CO -0.15 1.03 0.55 0.45 -0.00 0.00 0.00 178.16 180.04 3gxf h HIS 419 N 0.49 1.00 -0.43 4.88 3.86 -0.75 -1.37 115.15 122.84 3gxf h HIS 419 Ca 0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3gxf h HIS 419 Cb 0.89 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3gxf h HIS 419 CO 0.07 0.46 0.19 -0.07 0.86 0.00 0.00 177.93 179.44 3gxf h LEU 420 N 0.95 0.57 -1.87 2.43 3.38 -1.18 -3.24 115.31 116.34 3gxf h LEU 420 Ca 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3gxf h LEU 420 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gxf h LEU 420 CO -0.21 0.56 -0.09 1.23 0.09 0.00 0.00 178.44 180.01 3gxf h GLY 421 N 0.55 0.00 2.00 0.83 0.00 -0.62 -0.71 103.07 105.12 3gxf h GLY 421 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3gxf h GLY 421 CO -0.02 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.97 3gxf h HIS 422 N 0.00 0.00 0.00 5.60 3.86 -1.30 -1.79 115.15 121.53 3gxf h HIS 422 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3gxf h HIS 422 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3gxf h HIS 422 CO 0.00 0.00 -0.77 1.19 0.86 0.00 0.00 177.93 179.21 3gxf n PHE 423 N -2.31 0.00 0.07 2.45 3.01 -0.47 -4.64 117.46 115.57 3gxf n PHE 423 Ca -0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 3gxf n PHE 423 Cb 0.12 -0.36 0.46 0.00 -0.01 0.00 0.00 39.48 39.68 3gxf n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxf h SER 424 N -0.67 0.34 0.88 4.37 4.64 -1.21 0.19 113.55 122.08 3gxf h SER 424 Ca -0.03 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 3gxf h SER 424 Cb 0.73 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3gxf h SER 424 CO -0.02 0.29 -0.46 0.50 -0.87 0.00 0.00 176.83 176.27 3gxf h LYS 425 N 0.39 0.00 0.00 4.77 3.64 -0.81 -3.34 116.57 121.22 3gxf h LYS 425 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3gxf h LYS 425 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3gxf h LYS 425 CO -0.01 0.46 0.00 1.19 -2.27 0.00 0.00 179.45 178.82 3gxf n PHE 426 N -3.54 0.00 -3.84 1.91 3.01 -0.68 -4.79 117.46 109.53 3gxf n PHE 426 Ca -0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 3gxf n PHE 426 Cb 0.57 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.93 3gxf n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxf s ILE 427 N -0.38 3.21 0.72 4.37 1.01 0.58 -4.95 121.20 125.75 3gxf s ILE 427 Ca 0.00 -3.87 -0.14 0.00 0.00 0.00 0.00 60.65 56.64 3gxf s ILE 427 Cb 0.00 -3.09 0.03 0.00 0.01 0.00 0.00 42.46 39.41 3gxf s ILE 427 CO 0.00 -0.96 1.14 -2.16 0.00 0.00 0.00 174.94 172.96 3gxf s PRO 428 N -1.05 2.35 0.28 2.79 0.04 -1.26 -4.81 135.00 133.34 3gxf s PRO 428 Ca 0.23 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 3gxf s PRO 428 Cb -0.11 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 3gxf s PRO 428 CO -0.11 -1.62 1.00 -1.91 0.04 0.00 0.00 177.00 174.40 3gxf n GLU 429 N -2.81 1.30 0.00 4.56 2.13 -1.26 -2.03 120.64 122.54 3gxf n GLU 429 Ca 0.11 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3gxf n GLU 429 Cb 0.51 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3gxf n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxf n GLY 430 N 1.28 2.38 3.61 8.31 0.00 0.31 -4.78 105.19 116.31 3gxf n GLY 430 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3gxf n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxf n SER 431 N 0.00 0.95 -4.32 1.61 7.64 -0.86 -4.31 113.62 114.33 3gxf n SER 431 Ca 0.00 0.91 -0.31 0.00 1.01 0.00 0.00 58.87 60.48 3gxf n SER 431 Cb 0.00 -1.37 -0.16 0.00 -1.01 0.00 0.00 64.21 61.68 3gxf n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxf s GLN 432 N -2.37 2.31 0.27 1.43 0.74 -0.31 -0.33 119.66 121.41 3gxf s GLN 432 Ca 0.69 -0.89 -0.29 0.00 0.05 0.00 0.00 55.36 54.92 3gxf s GLN 432 Cb -0.48 -2.13 -0.09 0.00 1.10 0.00 0.00 33.01 31.40 3gxf s GLN 432 CO 0.52 0.51 1.13 0.50 -0.55 0.00 0.00 175.29 177.41 3gxf s ARG 433 N -0.48 4.59 0.25 1.67 3.52 0.38 -0.30 118.95 128.59 3gxf s ARG 433 Ca 0.06 1.86 0.04 0.00 -0.13 0.00 0.00 55.73 57.56 3gxf s ARG 433 Cb -0.11 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3gxf s ARG 433 CO 0.01 0.13 -0.01 0.14 -0.81 0.00 0.00 175.30 174.75 3gxf s VAL 434 N -1.03 1.22 0.59 7.11 -7.23 -0.89 0.12 120.40 120.29 3gxf s VAL 434 Ca 0.46 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3gxf s VAL 434 Cb -0.33 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3gxf s VAL 434 CO 0.42 -0.29 1.26 -0.83 -0.31 0.00 0.00 175.10 175.35 3gxf s GLY 435 N -3.36 2.81 -0.25 2.32 0.00 -0.47 -4.33 107.32 104.03 3gxf s GLY 435 Ca 0.29 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 3gxf s GLY 435 CO 0.10 1.56 0.42 -2.27 0.00 0.00 0.00 173.10 172.91 3gxf s LEU 436 N -3.96 -0.79 -0.25 0.66 2.96 -1.26 -1.51 118.68 114.53 3gxf s LEU 436 Ca 0.77 0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 54.93 3gxf s LEU 436 Cb -0.34 1.33 -0.05 0.00 0.50 0.00 0.00 46.19 47.63 3gxf s LEU 436 CO 0.38 -0.29 0.16 -0.69 -1.32 0.00 0.00 176.35 174.58 3gxf s VAL 437 N 2.61 5.21 0.00 1.68 1.01 -0.38 -4.85 120.40 125.68 3gxf s VAL 437 Ca 0.14 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3gxf s VAL 437 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3gxf s VAL 437 CO -0.17 0.32 0.98 0.00 0.00 0.00 0.00 175.10 176.23 3gxf s ALA 438 N 1.33 3.16 -0.33 5.51 0.00 -1.26 -1.01 121.76 129.16 3gxf s ALA 438 Ca 0.07 0.54 0.26 0.00 0.00 0.00 0.00 51.96 52.84 3gxf s ALA 438 Cb -0.15 -3.34 1.08 0.00 0.00 0.00 0.00 23.12 20.71 3gxf s ALA 438 CO 0.07 -0.23 1.79 0.66 0.00 0.00 0.00 175.76 178.05 3gxf h SER 439 N 6.77 0.00 -4.87 0.00 4.64 -0.89 -3.46 113.55 115.73 3gxf h SER 439 Ca -0.41 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.94 3gxf h SER 439 Cb 1.22 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.18 3gxf h SER 439 CO 0.75 0.00 0.31 0.00 -0.87 0.00 0.00 176.83 177.02 3gxf s GLN 440 N -3.40 1.12 0.32 4.77 -2.07 -1.26 -4.99 119.66 114.14 3gxf s GLN 440 Ca 0.04 -0.41 -0.29 0.00 -1.82 0.00 0.00 55.36 52.87 3gxf s GLN 440 Cb 0.09 0.51 -0.12 0.00 -1.09 0.00 0.00 33.01 32.40 3gxf s GLN 440 CO 0.44 -0.49 1.42 1.17 -1.32 0.00 0.00 175.29 176.51 3gxf n LYS 441 N -0.33 2.34 -3.96 9.60 4.81 -1.26 -4.98 118.16 124.38 3gxf n LYS 441 Ca -0.14 0.83 -0.11 0.00 -0.87 0.00 0.00 58.31 58.02 3gxf n LYS 441 Cb 0.64 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 3gxf n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxf s ASN 442 N 0.04 0.27 0.01 3.14 2.20 -1.26 -5.06 114.94 114.27 3gxf s ASN 442 Ca 0.60 -1.15 0.22 0.00 -0.94 0.00 0.00 52.86 51.59 3gxf s ASN 442 Cb -0.55 0.71 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 3gxf s ASN 442 CO 0.57 -1.38 1.02 0.47 -2.94 0.00 0.00 177.10 174.83 3gxf n ASP 443 N -1.05 0.75 -4.84 3.54 8.00 -1.26 -5.00 116.55 116.69 3gxf n ASP 443 Ca -0.03 -0.62 -0.32 0.00 0.71 0.00 0.00 54.79 54.53 3gxf n ASP 443 Cb 0.61 0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 42.54 3gxf n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxf s LEU 444 N -3.26 3.53 -0.19 0.64 1.43 -1.26 -4.67 118.68 114.89 3gxf s LEU 444 Ca 0.07 1.59 -0.05 0.00 -1.03 0.00 0.00 54.13 54.71 3gxf s LEU 444 Cb 0.16 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 3gxf s LEU 444 CO 0.82 -0.75 -0.01 -1.81 0.23 0.00 0.00 176.35 174.83 3gxf s ASP 445 N -3.21 4.82 0.00 2.29 1.01 -0.62 -4.97 116.67 115.99 3gxf s ASP 445 Ca 0.59 -0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.68 3gxf s ASP 445 Cb -0.11 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 3gxf s ASP 445 CO 0.36 0.09 -0.05 0.00 0.21 0.00 0.00 175.17 175.78 3gxf s ALA 446 N 0.83 0.43 -0.02 5.23 0.00 -1.26 -0.71 121.76 126.25 3gxf s ALA 446 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 3gxf s ALA 446 Cb -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3gxf s ALA 446 CO 0.02 0.08 0.10 0.54 0.00 0.00 0.00 175.76 176.49 3gxf s VAL 447 N -0.34 0.04 0.05 0.00 0.11 -0.88 -5.01 120.40 114.38 3gxf s VAL 447 Ca -0.00 -0.34 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 3gxf s VAL 447 Cb -0.03 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3gxf s VAL 447 CO -0.00 -0.19 -0.22 0.00 -3.33 0.00 0.00 175.10 171.36 3gxf s ALA 448 N -0.60 1.86 0.18 1.54 0.00 -1.26 -1.94 121.76 121.54 3gxf s ALA 448 Ca -0.07 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 3gxf s ALA 448 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3gxf s ALA 448 CO 0.00 0.42 0.23 -0.51 0.00 0.00 0.00 175.76 175.90 3gxf s LEU 449 N -1.30 1.08 -0.10 0.00 1.02 -0.03 -2.09 118.68 117.27 3gxf s LEU 449 Ca 0.08 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.20 3gxf s LEU 449 Cb -0.09 0.90 -0.00 0.00 0.02 0.00 0.00 46.19 47.02 3gxf s LEU 449 CO 0.02 -0.89 -0.24 -0.32 0.02 0.00 0.00 176.35 174.95 3gxf s MET 450 N -4.04 2.95 0.83 1.70 1.75 0.59 -2.09 119.30 120.99 3gxf s MET 450 Ca 0.25 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 53.70 3gxf s MET 450 Cb 0.04 -2.25 0.09 0.00 2.84 0.00 0.00 34.83 35.56 3gxf s MET 450 CO 0.05 0.19 1.18 -1.01 -0.65 0.00 0.00 175.02 174.78 3gxf s HIS 451 N 0.31 1.83 0.53 4.11 3.76 -0.47 -1.16 115.29 124.20 3gxf s HIS 451 Ca -0.18 1.70 0.33 0.00 -0.15 0.00 0.00 55.06 56.76 3gxf s HIS 451 Cb -0.18 -3.41 1.48 0.00 1.11 0.00 0.00 32.58 31.58 3gxf s HIS 451 CO 0.08 -2.73 1.84 -1.35 -0.85 0.00 0.00 174.74 171.73 3gxf h PRO 452 N -1.13 0.04 -0.42 8.40 0.11 -1.86 -0.87 132.00 136.27 3gxf h PRO 452 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gxf h PRO 452 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gxf h PRO 452 CO 0.46 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3gxf n ASP 453 N -4.26 2.10 0.00 -2.05 5.68 -1.26 -4.91 116.55 111.85 3gxf n ASP 453 Ca 0.22 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3gxf n ASP 453 Cb 1.09 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 3gxf n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxf n GLY 454 N 0.96 2.89 3.78 6.12 0.00 -0.33 -5.02 105.19 113.59 3gxf n GLY 454 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3gxf n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxf s SER 455 N -1.21 4.99 0.14 1.61 1.04 -1.26 -4.57 113.70 114.44 3gxf s SER 455 Ca 0.00 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3gxf s SER 455 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3gxf s SER 455 CO 0.00 -1.71 0.30 0.00 0.98 0.00 0.00 173.24 172.81 3gxf s ALA 456 N -2.65 3.93 -0.07 5.32 0.00 0.48 -1.37 121.76 127.40 3gxf s ALA 456 Ca 0.63 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3gxf s ALA 456 Cb -0.18 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.10 3gxf s ALA 456 CO 0.48 0.59 0.15 0.54 0.00 0.00 0.00 175.76 177.52 3gxf s VAL 457 N -1.71 -0.09 -0.02 0.00 0.11 -0.89 -2.13 120.40 115.67 3gxf s VAL 457 Ca 0.36 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.66 3gxf s VAL 457 Cb -0.12 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 3gxf s VAL 457 CO 0.28 0.09 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.34 3gxf s VAL 458 N 1.40 0.89 -0.08 2.04 1.01 -0.29 -0.85 120.40 124.52 3gxf s VAL 458 Ca -0.07 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3gxf s VAL 458 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3gxf s VAL 458 CO -0.06 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.43 3gxf s VAL 459 N -0.00 2.59 -0.16 2.92 1.01 -0.82 -0.14 120.40 125.79 3gxf s VAL 459 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3gxf s VAL 459 Cb -0.07 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.35 3gxf s VAL 459 CO 0.00 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 174.95 3gxf s VAL 460 N -0.15 0.86 -0.21 2.92 1.01 -0.33 -2.07 120.40 122.43 3gxf s VAL 460 Ca -0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3gxf s VAL 460 Cb -0.14 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3gxf s VAL 460 CO 0.04 0.07 0.22 -0.22 0.00 0.00 0.00 175.10 175.20 3gxf s LEU 461 N 1.74 4.16 -0.44 3.92 2.96 0.11 -0.78 118.68 130.35 3gxf s LEU 461 Ca 0.01 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3gxf s LEU 461 Cb -0.15 -2.22 0.11 0.00 0.50 0.00 0.00 46.19 44.43 3gxf s LEU 461 CO -0.07 0.07 0.27 0.21 -1.32 0.00 0.00 176.35 175.51 3gxf s ASN 462 N 0.82 5.51 0.00 3.68 3.84 -0.61 -1.59 114.94 126.59 3gxf s ASN 462 Ca 0.11 -1.89 0.29 0.00 0.21 0.00 0.00 52.86 51.58 3gxf s ASN 462 Cb -0.13 -1.93 1.25 0.00 -0.55 0.00 0.00 41.25 39.88 3gxf s ASN 462 CO 0.04 -0.61 1.87 0.54 -2.79 0.00 0.00 177.10 176.15 3gxf n ARG 463 N 4.78 0.66 -2.77 0.43 1.74 -1.26 -2.20 116.66 118.04 3gxf n ARG 463 Ca -0.06 -0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 56.61 3gxf n ARG 463 Cb 0.41 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3gxf n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxf s SER 464 N -2.48 5.23 0.02 0.55 1.04 -1.26 -4.76 113.70 112.02 3gxf s SER 464 Ca 0.29 -0.27 0.25 0.00 0.48 0.00 0.00 55.95 56.70 3gxf s SER 464 Cb 0.20 -0.56 0.49 0.00 0.10 0.00 0.00 66.02 66.25 3gxf s SER 464 CO 0.47 -1.16 1.41 -1.54 0.98 0.00 0.00 173.24 173.40 3gxf n SER 465 N -2.27 0.51 -4.81 7.02 3.41 -1.26 -0.05 113.62 116.18 3gxf n SER 465 Ca 0.10 -0.18 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 3gxf n SER 465 Cb 0.60 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 3gxf n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxf s LYS 466 N -3.03 4.07 0.26 4.33 3.01 -1.26 -4.32 119.74 122.80 3gxf s LYS 466 Ca 0.10 0.49 -0.31 0.00 -1.01 0.00 0.00 55.97 55.25 3gxf s LYS 466 Cb 0.17 -3.27 -0.12 0.00 -1.01 0.00 0.00 37.83 33.60 3gxf s LYS 466 CO 0.70 0.57 1.66 -0.25 0.51 0.00 0.00 175.35 178.54 3gxf n ASP 467 N 2.19 3.97 -4.22 2.83 8.00 -1.26 -3.20 116.55 124.85 3gxf n ASP 467 Ca -0.12 1.11 -0.36 0.00 0.71 0.00 0.00 54.79 56.14 3gxf n ASP 467 Cb 0.52 -1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 39.89 3gxf n ASP 467 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gxf s VAL 468 N 0.49 3.27 0.38 2.53 1.01 0.10 -4.86 120.40 123.31 3gxf s VAL 468 Ca 0.68 -1.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3gxf s VAL 468 Cb -0.49 -2.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 3gxf s VAL 468 CO 0.42 -0.03 1.38 -2.65 0.00 0.00 0.00 175.10 174.22 3gxf n PRO 469 N 4.71 2.35 -3.71 2.72 -0.02 -1.26 0.55 135.00 140.34 3gxf n PRO 469 Ca -0.14 0.83 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3gxf n PRO 469 Cb 0.45 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 3gxf n PRO 469 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gxf s LEU 470 N -1.68 0.13 -0.07 2.45 2.96 0.03 -3.90 118.68 118.61 3gxf s LEU 470 Ca 0.55 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 3gxf s LEU 470 Cb -0.51 1.19 -0.02 0.00 0.50 0.00 0.00 46.19 47.35 3gxf s LEU 470 CO 0.62 -0.18 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.41 3gxf s THR 471 N 1.17 2.77 -0.22 3.68 2.01 -0.61 -0.82 115.64 123.62 3gxf s THR 471 Ca -0.08 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 3gxf s THR 471 Cb -0.08 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3gxf s THR 471 CO -0.10 0.57 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.69 3gxf s ILE 472 N -0.30 2.95 -0.20 1.82 1.01 0.21 -1.16 121.20 125.53 3gxf s ILE 472 Ca 0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3gxf s ILE 472 Cb -0.13 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3gxf s ILE 472 CO 0.03 0.38 0.25 -0.75 0.00 0.00 0.00 174.94 174.85 3gxf s LYS 473 N 1.39 4.17 -0.28 2.79 2.20 0.48 -0.74 119.74 129.75 3gxf s LYS 473 Ca 0.04 -0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.54 3gxf s LYS 473 Cb -0.15 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 3gxf s LYS 473 CO -0.06 0.12 0.09 0.34 -0.36 0.00 0.00 175.35 175.48 3gxf s ASP 474 N 0.78 5.17 0.44 1.43 -1.08 -0.50 0.03 116.67 122.95 3gxf s ASP 474 Ca 0.13 -0.49 0.26 0.00 -0.52 0.00 0.00 52.55 51.93 3gxf s ASP 474 Cb -0.13 -1.91 1.30 0.00 -1.46 0.00 0.00 42.92 40.71 3gxf s ASP 474 CO 0.04 -0.13 1.73 -0.65 0.52 0.00 0.00 175.17 176.68 3gxf h PRO 475 N 8.25 0.21 0.00 4.34 0.11 -1.84 0.93 132.00 144.01 3gxf h PRO 475 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gxf h PRO 475 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gxf h PRO 475 CO 0.60 0.14 -0.22 0.00 -0.21 0.00 0.00 178.00 178.31 3gxf n ALA 476 N -2.55 2.68 0.00 -0.75 0.00 -1.26 -4.59 120.51 114.03 3gxf n ALA 476 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3gxf n ALA 476 Cb 1.14 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3gxf n ALA 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gxf n VAL 477 N -1.81 0.00 0.00 0.00 0.31 -0.56 -4.99 118.33 111.28 3gxf n VAL 477 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3gxf n VAL 477 Cb 0.38 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3gxf n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxf n GLY 478 N 2.08 0.72 3.40 2.92 0.00 0.21 -4.70 105.19 109.83 3gxf n GLY 478 Ca 0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 3gxf n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxf s PHE 479 N -2.81 2.79 -0.39 1.61 0.40 0.10 -1.41 117.98 118.27 3gxf s PHE 479 Ca 0.00 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 3gxf s PHE 479 Cb 0.00 -1.79 0.08 0.00 0.51 0.00 0.00 43.02 41.82 3gxf s PHE 479 CO 0.00 -0.10 0.19 -1.17 0.70 0.00 0.00 175.22 174.84 3gxf s LEU 480 N 0.07 4.96 0.11 -0.37 0.20 0.08 -0.11 118.68 123.62 3gxf s LEU 480 Ca -0.05 -1.65 -0.26 0.00 0.69 0.00 0.00 54.13 52.86 3gxf s LEU 480 Cb -0.15 -1.88 -0.07 0.00 -0.43 0.00 0.00 46.19 43.67 3gxf s LEU 480 CO 0.04 -0.49 0.81 -1.61 -0.29 0.00 0.00 176.35 174.81 3gxf s GLU 481 N 1.29 4.57 0.24 1.98 0.41 -1.26 -0.61 118.70 125.31 3gxf s GLU 481 Ca 0.03 1.18 -0.21 0.00 -0.41 0.00 0.00 54.97 55.56 3gxf s GLU 481 Cb -0.22 -3.32 0.06 0.00 -1.78 0.00 0.00 34.13 28.87 3gxf s GLU 481 CO -0.01 0.39 0.93 -0.08 -0.49 0.00 0.00 175.26 176.00 3gxf s THR 482 N -0.51 0.00 -0.01 3.63 -1.32 0.00 -5.01 115.64 112.41 3gxf s THR 482 Ca 0.39 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 60.15 3gxf s THR 482 Cb -0.22 -2.56 -0.00 0.00 -1.51 0.00 0.00 72.50 68.20 3gxf s THR 482 CO 0.26 0.00 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.94 3gxf s ILE 483 N -2.67 0.80 -0.53 5.08 1.01 -1.26 -0.79 121.20 122.84 3gxf s ILE 483 Ca 0.17 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 3gxf s ILE 483 Cb -0.03 -0.68 0.13 0.00 0.01 0.00 0.00 42.46 41.89 3gxf s ILE 483 CO 0.06 0.23 0.43 -0.55 0.00 0.00 0.00 174.94 175.12 3gxf s SER 484 N -0.11 5.90 0.89 3.58 0.15 0.19 -4.92 113.70 119.38 3gxf s SER 484 Ca 0.02 -2.01 -0.12 0.00 0.70 0.00 0.00 55.95 54.54 3gxf s SER 484 Cb -0.05 -2.07 0.07 0.00 -1.71 0.00 0.00 66.02 62.26 3gxf s SER 484 CO -0.00 -0.71 0.81 -2.65 1.20 0.00 0.00 173.24 171.89 3gxf n PRO 485 N 4.83 -0.18 -1.68 5.44 -0.02 -1.26 0.02 135.00 142.15 3gxf n PRO 485 Ca -0.07 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.01 3gxf n PRO 485 Cb 0.41 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3gxf n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxf n GLY 486 N 0.94 0.41 3.85 -1.23 0.00 -1.19 -3.09 105.19 104.88 3gxf n GLY 486 Ca 0.10 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 3gxf n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxf n TYR 487 N -0.19 -1.74 -4.40 1.61 0.53 0.93 -4.76 117.16 109.14 3gxf n TYR 487 Ca 0.07 0.64 -0.20 0.00 -1.02 0.00 0.00 57.90 57.39 3gxf n TYR 487 Cb 0.39 -3.67 -0.10 0.00 -1.03 0.00 0.00 39.34 34.93 3gxf n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxf s SER 488 N -4.07 2.45 -0.02 7.72 1.04 -1.15 -0.94 113.70 118.74 3gxf s SER 488 Ca 0.17 -1.22 0.01 0.00 0.48 0.00 0.00 55.95 55.39 3gxf s SER 488 Cb -0.06 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.96 3gxf s SER 488 CO 0.88 -0.42 -0.03 -0.51 0.98 0.00 0.00 173.24 174.14 3gxf s ILE 489 N -3.16 0.31 -0.07 -1.02 2.07 0.02 -1.57 121.20 117.79 3gxf s ILE 489 Ca 0.30 -0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.51 3gxf s ILE 489 Cb 0.05 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 3gxf s ILE 489 CO 0.11 0.13 -0.24 -1.00 -1.91 0.00 0.00 174.94 172.03 3gxf s HIS 490 N 0.42 2.43 -0.18 3.50 3.76 0.04 -1.11 115.29 124.15 3gxf s HIS 490 Ca -0.04 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3gxf s HIS 490 Cb -0.08 -1.60 0.02 0.00 1.11 0.00 0.00 32.58 32.03 3gxf s HIS 490 CO -0.01 -0.26 -0.18 0.99 -0.85 0.00 0.00 174.74 174.43 3gxf s THR 491 N -0.05 2.24 -0.14 1.30 2.01 0.36 -1.18 115.64 120.19 3gxf s THR 491 Ca -0.07 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.97 3gxf s THR 491 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 3gxf s THR 491 CO 0.05 0.53 0.13 -0.31 -0.69 0.00 0.00 174.62 174.32 3gxf s TYR 492 N 1.26 3.52 -0.01 4.92 1.51 0.80 -0.40 117.35 128.95 3gxf s TYR 492 Ca 0.04 0.45 0.02 0.00 -1.01 0.00 0.00 57.07 56.57 3gxf s TYR 492 Cb -0.13 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.72 3gxf s TYR 492 CO -0.11 0.59 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.35 3gxf s LEU 493 N -0.63 1.93 -0.06 -1.29 1.02 0.25 -1.14 118.68 118.76 3gxf s LEU 493 Ca 0.13 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.98 3gxf s LEU 493 Cb -0.12 -0.36 0.04 0.00 0.02 0.00 0.00 46.19 45.77 3gxf s LEU 493 CO 0.02 0.07 0.41 -1.66 0.02 0.00 0.00 176.35 175.21 3gxf s TRP 494 N -0.02 -0.35 0.39 0.29 -2.14 -0.90 -0.31 118.94 115.89 3gxf s TRP 494 Ca 0.01 0.67 -0.27 0.00 2.66 0.00 0.00 56.10 59.17 3gxf s TRP 494 Cb -0.04 0.17 -0.09 0.00 -3.10 0.00 0.00 33.47 30.41 3gxf s TRP 494 CO -0.00 -0.38 1.29 -1.01 -2.66 0.00 0.00 176.95 174.18 3gxf s HIS 495 N -0.87 2.90 -2.02 1.66 3.76 -1.26 -0.39 115.29 119.08 3gxf s HIS 495 Ca -0.09 1.43 0.21 0.00 -0.15 0.00 0.00 55.06 56.46 3gxf s HIS 495 Cb -0.04 -3.64 0.01 0.00 1.11 0.00 0.00 32.58 30.02 3gxf s HIS 495 CO 0.04 -1.96 1.06 0.54 -0.85 0.00 0.00 174.74 173.57 3gxf n ARG 496 N 0.29 1.42 0.00 1.40 1.74 -1.26 -4.64 116.66 115.60 3gxf n ARG 496 Ca 0.03 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 3gxf n ARG 496 Cb 0.43 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3gxf n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15