#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxa n GLY 3 N 0.00 0.00 3.74 3.38 0.00 -1.26 -4.38 105.19 106.67 3dxa n GLY 3 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dxa n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxa s VAL 4 N -1.56 2.92 0.10 1.61 1.01 -1.26 -4.49 120.40 118.73 3dxa s VAL 4 Ca 0.00 0.75 0.09 0.00 0.00 0.00 0.00 61.98 62.82 3dxa s VAL 4 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3dxa s VAL 4 CO 0.00 0.11 -0.23 -0.94 0.00 0.00 0.00 175.10 174.04 3dxa s SER 5 N 0.46 2.76 0.06 3.32 1.04 -0.86 -4.43 113.70 116.05 3dxa s SER 5 Ca 0.59 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 56.36 3dxa s SER 5 Cb -0.39 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 3dxa s SER 5 CO 0.39 0.11 -0.07 -1.10 0.98 0.00 0.00 173.24 173.55 3dxa s GLN 6 N -1.84 0.64 -0.06 4.02 -0.21 -1.26 -0.93 119.66 120.02 3dxa s GLN 6 Ca 0.09 -0.99 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 3dxa s GLN 6 Cb -0.10 -0.22 0.03 0.00 1.00 0.00 0.00 33.01 33.72 3dxa s GLN 6 CO 0.04 0.01 0.02 -0.80 -2.12 0.00 0.00 175.29 172.45 3dxa s ASN 7 N -2.17 1.44 0.63 5.90 0.01 -0.84 -4.50 114.94 115.41 3dxa s ASN 7 Ca -0.01 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 3dxa s ASN 7 Cb -0.04 -0.35 0.11 0.00 0.41 0.00 0.00 41.25 41.39 3dxa s ASN 7 CO -0.02 -0.21 0.82 -0.81 -1.51 0.00 0.00 177.10 175.37 3dxa n PRO 8 N 5.18 0.19 0.17 -0.60 -0.04 -1.26 -1.66 135.00 136.98 3dxa n PRO 8 Ca -0.06 -2.48 0.02 0.00 -0.04 0.00 0.00 63.50 60.94 3dxa n PRO 8 Cb 0.50 -0.46 0.28 0.00 -0.04 0.00 0.00 33.50 33.77 3dxa n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxa h ARG 9 N 0.00 0.00 -2.99 0.54 3.08 -1.85 -3.35 114.38 109.80 3dxa h ARG 9 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3dxa h ARG 9 Cb 1.07 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 3dxa h ARG 9 CO 0.32 0.48 0.08 -3.38 -1.07 0.00 0.00 179.97 176.39 3dxa s HIS 10 N -3.72 -0.41 -0.06 3.04 -3.43 -1.26 -1.64 115.29 107.81 3dxa s HIS 10 Ca -0.01 0.29 -0.23 0.00 -0.80 0.00 0.00 55.06 54.30 3dxa s HIS 10 Cb 0.12 0.40 0.05 0.00 -1.43 0.00 0.00 32.58 31.72 3dxa s HIS 10 CO 0.72 -0.73 0.53 0.21 -2.00 0.00 0.00 174.74 173.47 3dxa s LYS 11 N -3.24 0.85 -0.03 -0.38 2.47 0.59 -4.84 119.74 115.17 3dxa s LYS 11 Ca -0.01 0.19 -0.01 0.00 -1.56 0.00 0.00 55.97 54.58 3dxa s LYS 11 Cb -0.00 0.40 0.02 0.00 -1.46 0.00 0.00 37.83 36.79 3dxa s LYS 11 CO -0.08 -0.23 0.06 0.42 0.16 0.00 0.00 175.35 175.67 3dxa s ILE 12 N -0.98 -0.04 0.14 5.43 1.01 -1.26 -1.76 121.20 123.74 3dxa s ILE 12 Ca -0.10 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3dxa s ILE 12 Cb -0.03 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 3dxa s ILE 12 CO 0.06 0.06 0.22 0.42 0.00 0.00 0.00 174.94 175.71 3dxa s THR 13 N 0.82 0.09 0.00 2.92 -4.23 -1.19 -4.93 115.64 109.12 3dxa s THR 13 Ca -0.07 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3dxa s THR 13 Cb -0.09 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.96 3dxa s THR 13 CO -0.03 -0.40 0.00 1.17 -0.54 0.00 0.00 174.62 174.82 3dxa n LYS 14 N -0.16 -0.27 0.00 3.99 4.81 -1.26 -1.43 118.16 123.83 3dxa n LYS 14 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3dxa n LYS 14 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 3dxa n LYS 14 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dxa n ARG 15 N -0.96 0.00 -0.59 1.64 5.12 -1.21 -4.42 116.66 116.24 3dxa n ARG 15 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 3dxa n ARG 15 Cb 0.00 -0.05 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 3dxa n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dxa n GLY 16 N 2.66 1.89 3.29 -0.13 0.00 -1.26 -3.36 105.19 108.29 3dxa n GLY 16 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 3dxa n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxa s GLN 17 N 5.21 1.18 0.30 1.61 -1.52 -1.26 -4.78 119.66 120.39 3dxa s GLN 17 Ca 0.42 -1.45 -0.01 0.00 -1.95 0.00 0.00 55.36 52.38 3dxa s GLN 17 Cb 0.10 -0.95 -0.04 0.00 -0.22 0.00 0.00 33.01 31.90 3dxa s GLN 17 CO 0.12 0.16 0.51 -0.80 -0.25 0.00 0.00 175.29 175.03 3dxa s ASN 18 N -3.00 6.34 -0.28 5.90 0.01 -1.19 -1.44 114.94 121.27 3dxa s ASN 18 Ca 0.17 0.47 -0.23 0.00 -0.71 0.00 0.00 52.86 52.56 3dxa s ASN 18 Cb -0.01 -2.04 0.13 0.00 0.41 0.00 0.00 41.25 39.74 3dxa s ASN 18 CO 0.04 -0.21 1.04 0.54 -1.51 0.00 0.00 177.10 177.00 3dxa s VAL 19 N -2.16 0.00 -0.05 1.60 0.11 -1.08 -5.02 120.40 113.80 3dxa s VAL 19 Ca 0.40 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.49 3dxa s VAL 19 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3dxa s VAL 19 CO 0.33 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.05 3dxa s THR 20 N 0.44 1.35 0.53 5.04 2.01 -1.26 -1.77 115.64 121.99 3dxa s THR 20 Ca 0.01 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.44 3dxa s THR 20 Cb -0.05 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 71.34 3dxa s THR 20 CO -0.08 0.39 0.66 -0.36 -0.69 0.00 0.00 174.62 174.54 3dxa s PHE 21 N 0.21 1.74 0.03 4.92 0.08 -0.10 -4.81 117.98 120.04 3dxa s PHE 21 Ca -0.07 -0.68 -0.13 0.00 0.12 0.00 0.00 56.93 56.17 3dxa s PHE 21 Cb -0.13 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3dxa s PHE 21 CO 0.03 -0.86 0.28 0.50 -0.10 0.00 0.00 175.22 175.07 3dxa s ARG 22 N -4.52 0.75 -0.12 0.44 3.52 -0.66 -2.60 118.95 115.77 3dxa s ARG 22 Ca 0.55 -0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3dxa s ARG 22 Cb -0.06 0.33 0.05 0.00 -1.56 0.00 0.00 34.95 33.71 3dxa s ARG 22 CO 0.34 -0.23 0.13 0.00 -0.81 0.00 0.00 175.30 174.73 3dxa s ASP 24 N 2.23 5.74 0.80 0.00 1.01 -0.11 -1.69 116.67 124.65 3dxa s ASP 24 Ca 0.04 -1.67 -0.08 0.00 0.71 0.00 0.00 52.55 51.55 3dxa s ASP 24 Cb -0.14 -2.03 0.13 0.00 1.01 0.00 0.00 42.92 41.89 3dxa s ASP 24 CO -0.07 -0.63 1.11 -2.16 0.21 0.00 0.00 175.17 173.63 3dxa s PRO 25 N 1.43 1.53 0.11 8.23 0.04 -1.26 -2.02 135.00 143.05 3dxa s PRO 25 Ca 0.04 -0.55 -0.31 0.00 0.04 0.00 0.00 61.00 60.23 3dxa s PRO 25 Cb -0.25 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3dxa s PRO 25 CO 0.01 -1.70 1.66 0.42 0.04 0.00 0.00 177.00 177.44 3dxa s ILE 26 N -3.44 2.81 0.64 0.56 1.09 -1.26 -4.93 121.20 116.67 3dxa s ILE 26 Ca 0.67 0.38 -0.17 0.00 -1.10 0.00 0.00 60.65 60.43 3dxa s ILE 26 Cb -0.07 -3.25 -0.04 0.00 -1.06 0.00 0.00 42.46 38.04 3dxa s ILE 26 CO 0.47 0.01 0.87 -0.24 -0.10 0.00 0.00 174.94 175.95 3dxa n SER 27 N 5.14 0.27 -1.23 3.58 2.88 -1.26 -1.50 113.62 121.50 3dxa n SER 27 Ca 0.16 0.74 -0.12 0.00 -1.33 0.00 0.00 58.87 58.32 3dxa n SER 27 Cb 0.39 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 3dxa n SER 27 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dxa n GLU 28 N -1.07 -0.91 -4.13 -1.46 1.02 -1.26 -5.02 120.64 107.82 3dxa n GLU 28 Ca 0.13 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 3dxa n GLU 28 Cb 0.48 -4.77 -0.12 0.00 -0.02 0.00 0.00 31.44 27.01 3dxa n GLU 28 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dxa s HIS 29 N -2.55 3.08 -0.10 -0.32 3.76 -0.56 -3.23 115.29 115.37 3dxa s HIS 29 Ca 0.00 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.38 3dxa s HIS 29 Cb 0.00 -2.06 -0.20 0.00 1.11 0.00 0.00 32.58 31.43 3dxa s HIS 29 CO 0.00 -0.11 0.76 -0.97 -0.85 0.00 0.00 174.74 173.57 3dxa h ASN 30 N 7.17 -0.03 -3.48 1.40 -1.24 -1.51 -3.47 115.58 114.41 3dxa h ASN 30 Ca -0.35 -0.70 -0.67 0.00 0.71 0.00 0.00 56.30 55.30 3dxa h ASN 30 Cb 1.18 0.01 -0.15 0.00 0.73 0.00 0.00 38.32 40.09 3dxa h ASN 30 CO 0.63 0.76 -0.68 -0.13 -1.29 0.00 0.00 177.43 176.72 3dxa s ARG 31 N -2.62 2.60 -0.01 6.67 0.52 -1.24 -1.62 118.95 123.25 3dxa s ARG 31 Ca -0.15 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3dxa s ARG 31 Cb -0.01 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.92 3dxa s ARG 31 CO 0.57 0.59 -0.02 -1.17 0.02 0.00 0.00 175.30 175.29 3dxa s LEU 39 N -1.66 1.69 0.13 2.53 0.20 -0.81 -1.60 118.68 119.16 3dxa s LEU 39 Ca 0.20 -0.06 0.11 0.00 0.69 0.00 0.00 54.13 55.07 3dxa s LEU 39 Cb -0.11 -0.21 -0.04 0.00 -0.43 0.00 0.00 46.19 45.39 3dxa s LEU 39 CO 0.11 -0.01 -0.26 -0.31 -0.29 0.00 0.00 176.35 175.59 3dxa s TYR 40 N 0.34 2.33 -0.06 5.38 2.02 0.59 -0.58 117.35 127.37 3dxa s TYR 40 Ca -0.03 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 3dxa s TYR 40 Cb -0.06 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 3dxa s TYR 40 CO -0.01 0.35 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.51 3dxa s TRP 41 N -1.08 2.49 0.10 2.71 0.52 -0.23 -2.10 118.94 121.35 3dxa s TRP 41 Ca 0.14 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.70 3dxa s TRP 41 Cb -0.10 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 3dxa s TRP 41 CO 0.06 -0.14 -0.11 0.71 0.02 0.00 0.00 176.95 177.50 3dxa s TYR 42 N -0.26 1.10 0.09 -1.98 2.02 -0.42 -0.67 117.35 117.23 3dxa s TYR 42 Ca -0.00 -0.63 0.09 0.00 -0.37 0.00 0.00 57.07 56.17 3dxa s TYR 42 Cb -0.13 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3dxa s TYR 42 CO 0.03 0.02 -0.23 -0.98 -1.57 0.00 0.00 175.55 172.82 3dxa s ARG 43 N -2.67 1.70 -0.21 -0.62 1.70 -0.80 -0.56 118.95 117.50 3dxa s ARG 43 Ca 0.05 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.07 3dxa s ARG 43 Cb -0.04 -2.02 0.09 0.00 -0.57 0.00 0.00 34.95 32.41 3dxa s ARG 43 CO 0.01 0.49 0.18 -1.14 -1.08 0.00 0.00 175.30 173.75 3dxa s GLN 44 N -1.81 0.16 0.40 3.89 0.74 0.12 -0.39 119.66 122.76 3dxa s GLN 44 Ca 0.15 0.02 -0.23 0.00 0.05 0.00 0.00 55.36 55.35 3dxa s GLN 44 Cb -0.10 -1.37 -0.10 0.00 1.10 0.00 0.00 33.01 32.53 3dxa s GLN 44 CO 0.06 -0.72 0.96 0.95 -0.55 0.00 0.00 175.29 175.99 3dxa s THR 45 N 2.25 4.28 -0.19 -0.34 -4.23 -1.26 -1.74 115.64 114.40 3dxa s THR 45 Ca 0.06 1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.85 3dxa s THR 45 Cb -0.16 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 3dxa s THR 45 CO -0.15 -0.15 1.57 -0.76 -0.54 0.00 0.00 174.62 174.59 3dxa s LEU 46 N -2.80 4.00 0.00 4.79 1.02 -1.26 -2.76 118.68 121.67 3dxa s LEU 46 Ca 0.58 1.71 0.00 0.00 0.02 0.00 0.00 54.13 56.44 3dxa s LEU 46 Cb -0.13 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.55 3dxa s LEU 46 CO 0.17 -1.14 0.00 0.61 0.02 0.00 0.00 176.35 176.02 3dxa n GLY 47 N 4.44 3.79 4.02 -3.19 0.00 -1.26 -5.12 105.19 107.87 3dxa n GLY 47 Ca 0.18 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 3dxa n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxa s GLN 48 N 0.00 2.54 0.87 1.61 -1.52 -1.11 -5.12 119.66 116.92 3dxa s GLN 48 Ca 0.00 -1.44 -0.13 0.00 -1.95 0.00 0.00 55.36 51.84 3dxa s GLN 48 Cb 0.00 -2.69 0.12 0.00 -0.22 0.00 0.00 33.01 30.22 3dxa s GLN 48 CO 0.00 -0.60 1.19 0.20 -0.25 0.00 0.00 175.29 175.82 3dxa s GLY 49 N -4.52 1.61 0.26 3.09 0.00 -1.26 -4.79 107.32 101.71 3dxa s GLY 49 Ca 0.59 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 3dxa s GLY 49 CO 0.36 -0.14 1.54 -4.14 0.00 0.00 0.00 173.10 170.72 3dxa s PRO 50 N -5.53 4.19 0.04 2.90 0.02 -1.26 -4.70 135.00 130.66 3dxa s PRO 50 Ca 0.64 2.45 -0.08 0.00 0.02 0.00 0.00 61.00 64.04 3dxa s PRO 50 Cb -0.11 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 3dxa s PRO 50 CO 0.51 -0.56 0.33 -1.21 -0.33 0.00 0.00 177.00 175.74 3dxa s GLU 51 N -0.18 3.66 0.23 5.54 2.02 0.47 -4.95 118.70 125.49 3dxa s GLU 51 Ca 0.63 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.35 3dxa s GLU 51 Cb -0.45 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 3dxa s GLU 51 CO 0.43 0.61 1.01 0.12 0.02 0.00 0.00 175.26 177.45 3dxa s PHE 52 N -1.35 3.80 0.00 1.61 2.19 -1.26 -1.90 117.98 121.07 3dxa s PHE 52 Ca 0.30 1.80 0.00 0.00 0.33 0.00 0.00 56.93 59.36 3dxa s PHE 52 Cb -0.13 -3.11 0.00 0.00 -1.31 0.00 0.00 43.02 38.46 3dxa s PHE 52 CO 0.17 0.00 0.00 1.28 1.83 0.00 0.00 175.22 178.51 3dxa n LEU 53 N 1.65 0.00 -4.26 6.12 4.77 0.15 -4.74 117.00 120.68 3dxa n LEU 53 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3dxa n LEU 53 Cb 0.46 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3dxa n LEU 53 CO 0.52 -0.06 -0.24 0.28 -1.33 0.00 0.00 177.39 176.56 3dxa s THR 54 N -0.11 0.27 -0.14 -5.08 -1.32 -1.17 -2.49 115.64 105.61 3dxa s THR 54 Ca 0.00 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.41 3dxa s THR 54 Cb 0.00 -2.56 0.05 0.00 -1.51 0.00 0.00 72.50 68.48 3dxa s THR 54 CO 0.00 0.00 0.33 -0.47 -2.21 0.00 0.00 174.62 172.27 3dxa s TYR 55 N -3.92 -0.47 0.01 9.09 6.04 -1.00 -1.07 117.35 126.03 3dxa s TYR 55 Ca 0.38 1.05 0.06 0.00 0.04 0.00 0.00 57.07 58.60 3dxa s TYR 55 Cb 0.07 0.15 -0.03 0.00 -1.04 0.00 0.00 41.96 41.12 3dxa s TYR 55 CO 0.14 -0.30 -0.17 -0.06 -1.54 0.00 0.00 175.55 173.62 3dxa s PHE 56 N 1.41 2.61 -0.10 4.97 0.08 0.26 -2.07 117.98 125.13 3dxa s PHE 56 Ca -0.09 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.76 3dxa s PHE 56 Cb -0.10 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3dxa s PHE 56 CO -0.11 0.22 -0.20 -1.14 -0.10 0.00 0.00 175.22 173.90 3dxa s GLN 57 N -1.19 3.08 1.69 0.44 0.74 -0.21 -1.92 119.66 122.28 3dxa s GLN 57 Ca 0.14 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.74 3dxa s GLN 57 Cb -0.11 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.60 3dxa s GLN 57 CO 0.04 0.24 0.00 0.09 -0.55 0.00 0.00 175.29 175.11 3dxa n ASN 58 N 3.39 0.00 -0.29 6.67 5.03 -0.64 -0.96 115.26 128.45 3dxa n ASN 58 Ca -0.18 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.29 3dxa n ASN 58 Cb 0.53 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.36 3dxa n ASN 58 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3dxa n GLU 59 N 0.00 2.94 -5.05 3.52 -0.00 -1.26 -4.37 120.64 116.42 3dxa n GLU 59 Ca 0.00 -1.76 -0.32 0.00 -0.00 0.00 0.00 57.16 55.08 3dxa n GLU 59 Cb 0.00 -1.12 -0.14 0.00 -0.00 0.00 0.00 31.44 30.17 3dxa n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dxa s ALA 60 N -1.01 2.47 -0.83 -1.84 0.00 -0.14 -4.72 121.76 115.70 3dxa s ALA 60 Ca 0.11 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 3dxa s ALA 60 Cb 0.06 -0.82 0.14 0.00 0.00 0.00 0.00 23.12 22.50 3dxa s ALA 60 CO 0.07 0.54 0.95 -1.14 0.00 0.00 0.00 175.76 176.18 3dxa s GLN 61 N -0.65 3.47 -0.04 0.00 0.74 -1.26 -1.04 119.66 120.88 3dxa s GLN 61 Ca 0.10 -1.80 -0.26 0.00 0.05 0.00 0.00 55.36 53.45 3dxa s GLN 61 Cb -0.11 -4.63 -0.21 0.00 1.10 0.00 0.00 33.01 29.16 3dxa s GLN 61 CO 0.00 -1.61 1.17 -0.07 -0.55 0.00 0.00 175.29 174.23 3dxa h LEU 66 N 9.72 0.03 -8.54 3.68 4.07 -1.78 -3.47 115.31 119.02 3dxa h LEU 66 Ca 0.03 -0.59 -0.48 0.00 0.08 0.00 0.00 57.88 56.92 3dxa h LEU 66 Cb 1.04 -0.01 -0.21 0.00 1.08 0.00 0.00 40.66 42.56 3dxa h LEU 66 CO 1.02 0.62 -0.80 -0.70 -1.08 0.00 0.00 178.44 177.50 3dxa s GLU 67 N -3.83 0.97 -0.28 1.13 2.12 -1.22 -5.05 118.70 112.53 3dxa s GLU 67 Ca -0.16 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 53.95 3dxa s GLU 67 Cb 0.01 -1.09 0.09 0.00 0.26 0.00 0.00 34.13 33.40 3dxa s GLU 67 CO 0.68 0.25 0.72 -1.59 -0.54 0.00 0.00 175.26 174.78 3dxa s LYS 68 N -1.87 0.67 0.79 4.30 -2.85 -1.26 -2.37 119.74 117.15 3dxa s LYS 68 Ca 0.02 1.19 -0.11 0.00 -1.00 0.00 0.00 55.97 56.08 3dxa s LYS 68 Cb -0.10 0.20 0.08 0.00 -2.06 0.00 0.00 37.83 35.95 3dxa s LYS 68 CO 0.03 -0.15 1.14 -1.54 0.10 0.00 0.00 175.35 174.94 3dxa s SER 69 N 1.72 4.56 0.00 0.03 1.04 -1.04 -4.95 113.70 115.07 3dxa s SER 69 Ca -0.10 0.70 0.22 0.00 0.48 0.00 0.00 55.95 57.26 3dxa s SER 69 Cb -0.05 -1.22 1.26 0.00 0.10 0.00 0.00 66.02 66.10 3dxa s SER 69 CO -0.19 -1.84 1.72 0.54 0.98 0.00 0.00 173.24 174.44 3dxa n ARG 70 N -3.23 0.56 0.15 4.02 3.00 -1.26 -1.88 116.66 118.02 3dxa n ARG 70 Ca 0.08 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 3dxa n ARG 70 Cb 0.61 -1.50 0.25 0.00 0.00 0.00 0.00 32.46 31.82 3dxa n ARG 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3dxa h LEU 71 N 0.00 0.02 -8.36 0.55 5.85 -1.92 -3.40 115.31 108.04 3dxa h LEU 71 Ca 0.00 -0.01 -0.41 0.00 0.84 0.00 0.00 57.88 58.30 3dxa h LEU 71 Cb 0.07 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3dxa h LEU 71 CO 0.00 0.52 1.07 -0.76 -0.34 0.00 0.00 178.44 178.94 3dxa s LEU 72 N -7.89 3.23 0.99 2.25 1.43 -0.79 -4.98 118.68 112.93 3dxa s LEU 72 Ca -0.02 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3dxa s LEU 72 Cb 0.13 -2.54 0.19 0.00 0.03 0.00 0.00 46.19 44.00 3dxa s LEU 72 CO 0.75 -2.53 1.09 -0.24 0.23 0.00 0.00 176.35 175.66 3dxa n SER 73 N 13.21 -0.27 -0.06 2.29 2.88 -1.26 -4.92 113.62 125.49 3dxa n SER 73 Ca 0.29 0.26 0.08 0.00 -1.33 0.00 0.00 58.87 58.17 3dxa n SER 73 Cb 0.50 -1.41 0.46 0.00 -0.75 0.00 0.00 64.21 63.00 3dxa n SER 73 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3dxa h ASP 74 N -2.11 0.44 -0.90 -3.46 5.19 -1.98 -2.35 116.42 111.25 3dxa h ASP 74 Ca -0.48 -0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.04 3dxa h ASP 74 Cb 1.29 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.63 3dxa h ASP 74 CO 0.43 0.29 0.58 0.03 -3.12 0.00 0.00 179.24 177.45 3dxa h ARG 75 N 0.50 0.83 -6.87 3.56 3.08 -1.94 -3.40 114.38 110.13 3dxa h ARG 75 Ca 0.23 -0.05 -0.49 0.00 0.07 0.00 0.00 59.98 59.73 3dxa h ARG 75 Cb 0.26 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3dxa h ARG 75 CO -0.06 0.55 0.44 -0.06 -1.07 0.00 0.00 179.97 179.76 3dxa s PHE 76 N -5.80 3.47 -0.25 3.04 0.08 -0.88 -2.15 117.98 115.49 3dxa s PHE 76 Ca -0.11 1.69 -0.02 0.00 0.12 0.00 0.00 56.93 58.61 3dxa s PHE 76 Cb 0.21 -3.19 0.13 0.00 -0.57 0.00 0.00 43.02 39.61 3dxa s PHE 76 CO 0.79 -0.50 0.38 -1.54 -0.10 0.00 0.00 175.22 174.25 3dxa s SER 77 N -1.22 0.27 0.37 1.36 1.04 -0.33 -4.83 113.70 110.36 3dxa s SER 77 Ca 0.50 0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.97 3dxa s SER 77 Cb -0.27 1.11 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 3dxa s SER 77 CO 0.34 -0.30 0.79 0.00 0.98 0.00 0.00 173.24 175.05 3dxa s ALA 78 N 2.54 3.27 -0.17 5.32 0.00 -1.26 -1.88 121.76 129.57 3dxa s ALA 78 Ca 0.12 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 3dxa s ALA 78 Cb -0.15 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.19 3dxa s ALA 78 CO -0.17 0.17 0.59 -2.00 0.00 0.00 0.00 175.76 174.36 3dxa s GLU 79 N -3.31 0.76 -0.39 0.00 2.12 -0.77 -5.01 118.70 112.10 3dxa s GLU 79 Ca 0.55 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.55 3dxa s GLU 79 Cb -0.10 0.37 0.16 0.00 0.26 0.00 0.00 34.13 34.82 3dxa s GLU 79 CO 0.21 -0.14 0.39 0.50 -0.54 0.00 0.00 175.26 175.69 3dxa s ARG 80 N -0.10 0.73 -0.08 4.30 3.52 -1.26 -1.36 118.95 124.70 3dxa s ARG 80 Ca -0.03 -1.14 -0.21 0.00 -0.13 0.00 0.00 55.73 54.22 3dxa s ARG 80 Cb -0.03 -0.82 -0.17 0.00 -1.56 0.00 0.00 34.95 32.37 3dxa s ARG 80 CO 0.03 -1.25 0.77 -1.00 -0.81 0.00 0.00 175.30 173.04 3dxa h PRO 81 N 6.59 -0.10 -0.08 5.12 0.13 -1.86 -3.18 132.00 138.62 3dxa h PRO 81 Ca 0.09 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3dxa h PRO 81 Cb 1.03 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3dxa h PRO 81 CO 0.21 0.44 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 3dxa n LYS 83 N -4.81 1.63 -2.70 0.86 5.02 -1.26 -4.88 118.16 112.02 3dxa n LYS 83 Ca -0.07 -0.93 -0.11 0.00 -2.02 0.00 0.00 58.31 55.18 3dxa n LYS 83 Cb 0.29 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3dxa n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dxa n GLY 84 N 1.13 0.15 0.00 0.72 0.00 -1.20 -4.87 105.19 101.12 3dxa n GLY 84 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3dxa n GLY 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxa n SER 85 N -0.32 0.00 -4.90 1.61 3.41 -1.26 -4.74 113.62 107.41 3dxa n SER 85 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.29 3dxa n SER 85 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3dxa n SER 85 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dxa s PHE 86 N 0.00 3.54 -0.00 7.33 -0.71 -1.26 -4.41 117.98 122.47 3dxa s PHE 86 Ca 0.00 0.80 0.03 0.00 -1.04 0.00 0.00 56.93 56.72 3dxa s PHE 86 Cb 0.00 -2.28 -0.01 0.00 -1.21 0.00 0.00 43.02 39.52 3dxa s PHE 86 CO 0.00 -0.19 -0.11 0.45 -1.34 0.00 0.00 175.22 174.02 3dxa s SER 87 N -3.91 1.30 -0.17 1.98 0.15 -0.68 -4.36 113.70 108.01 3dxa s SER 87 Ca 0.47 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 3dxa s SER 87 Cb -0.10 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3dxa s SER 87 CO 0.41 0.11 -0.04 0.42 1.20 0.00 0.00 173.24 175.34 3dxa s THR 88 N -0.35 3.76 -0.26 6.45 -4.23 -0.46 -1.74 115.64 118.79 3dxa s THR 88 Ca 0.03 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 3dxa s THR 88 Cb -0.05 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.15 3dxa s THR 88 CO -0.00 0.48 0.01 -0.22 -0.54 0.00 0.00 174.62 174.34 3dxa s LEU 89 N 0.59 3.44 -0.08 4.79 2.96 -1.07 -1.84 118.68 127.47 3dxa s LEU 89 Ca -0.03 -0.72 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 3dxa s LEU 89 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3dxa s LEU 89 CO 0.03 -0.14 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.07 3dxa s GLU 90 N 1.43 2.80 -0.12 1.98 2.12 -0.79 -0.93 118.70 125.19 3dxa s GLU 90 Ca 0.02 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.64 3dxa s GLU 90 Cb -0.16 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 3dxa s GLU 90 CO -0.01 0.46 -0.14 0.42 -0.54 0.00 0.00 175.26 175.45 3dxa s ILE 91 N -0.31 2.95 -0.04 -3.70 1.01 -0.73 -1.18 121.20 119.20 3dxa s ILE 91 Ca 0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3dxa s ILE 91 Cb -0.13 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3dxa s ILE 91 CO 0.03 0.54 -0.04 -0.61 0.00 0.00 0.00 174.94 174.85 3dxa h GLN 92 N 6.53 0.00 -3.74 2.79 5.75 -1.69 -2.86 115.11 121.89 3dxa h GLN 92 Ca -0.28 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.55 3dxa h GLN 92 Cb 1.21 0.00 -0.38 0.00 1.07 0.00 0.00 27.48 29.38 3dxa h GLN 92 CO 0.54 0.00 -0.51 1.03 -2.65 0.00 0.00 178.83 177.24 3dxa s ARG 93 N -1.34 2.20 0.30 1.69 0.52 -1.26 -3.18 118.95 117.87 3dxa s ARG 93 Ca -0.03 -2.42 -0.30 0.00 -0.52 0.00 0.00 55.73 52.46 3dxa s ARG 93 Cb 0.00 -3.53 -0.12 0.00 0.52 0.00 0.00 34.95 31.83 3dxa s ARG 93 CO 0.05 -1.12 1.58 0.25 0.02 0.00 0.00 175.30 176.07 3dxa n THR 94 N 3.56 1.11 -4.38 0.02 -2.24 -0.52 -4.79 114.28 107.04 3dxa n THR 94 Ca 0.05 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 3dxa n THR 94 Cb 0.37 -1.94 -0.09 0.00 -2.10 0.00 0.00 70.33 66.57 3dxa n THR 94 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dxa s GLU 95 N -0.65 1.98 0.50 -0.78 2.02 -1.26 -3.99 118.70 116.52 3dxa s GLU 95 Ca 0.63 -1.65 0.22 0.00 0.02 0.00 0.00 54.97 54.19 3dxa s GLU 95 Cb -0.50 -1.94 1.30 0.00 0.10 0.00 0.00 34.13 33.09 3dxa s GLU 95 CO 0.50 0.29 2.07 1.96 0.02 0.00 0.00 175.26 180.10 3dxa h GLN 96 N 2.03 0.00 0.00 1.61 4.20 -1.95 -2.08 115.11 118.91 3dxa h GLN 96 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3dxa h GLN 96 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3dxa h GLN 96 CO 0.62 0.13 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3dxa n GLY 97 N -0.95 -1.46 0.21 3.46 0.00 -1.26 -2.83 105.19 102.36 3dxa n GLY 97 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3dxa n GLY 97 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxa h ASP 98 N 0.00 0.00 -1.43 1.61 3.32 -1.78 -3.45 116.42 114.69 3dxa h ASP 98 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3dxa h ASP 98 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3dxa h ASP 98 CO 0.00 0.00 1.31 -1.20 -1.72 0.00 0.00 179.24 177.63 3dxa n SER 99 N -2.92 2.56 -3.68 6.45 7.64 -1.13 -4.86 113.62 117.69 3dxa n SER 99 Ca 0.03 0.56 0.01 0.00 1.01 0.00 0.00 58.87 60.49 3dxa n SER 99 Cb 0.43 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3dxa n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxa s ALA 100 N 6.43 -2.25 -0.19 -0.43 0.00 -1.12 -4.87 121.76 119.34 3dxa s ALA 100 Ca 1.04 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 3dxa s ALA 100 Cb -0.78 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3dxa s ALA 100 CO 0.50 -1.09 0.70 1.41 0.00 0.00 0.00 175.76 177.27 3dxa s MET 101 N -2.27 4.24 -0.64 0.00 -2.45 -0.71 -2.07 119.30 115.40 3dxa s MET 101 Ca 0.21 0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 55.27 3dxa s MET 101 Cb 0.02 -3.58 0.16 0.00 1.25 0.00 0.00 34.83 32.68 3dxa s MET 101 CO -0.02 -0.28 0.56 0.71 1.05 0.00 0.00 175.02 177.05 3dxa s TYR 102 N 2.01 3.47 0.49 4.11 2.02 0.44 0.13 117.35 130.03 3dxa s TYR 102 Ca 0.32 -1.74 -0.10 0.00 -0.37 0.00 0.00 57.07 55.18 3dxa s TYR 102 Cb -0.16 -3.71 -0.05 0.00 -0.40 0.00 0.00 41.96 37.63 3dxa s TYR 102 CO 0.11 -0.99 0.86 -0.51 -1.57 0.00 0.00 175.55 173.45 3dxa s LEU 103 N 0.93 3.61 -0.13 -1.29 1.43 0.28 -2.20 118.68 121.31 3dxa s LEU 103 Ca 0.10 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 3dxa s LEU 103 Cb -0.22 -4.15 0.07 0.00 0.03 0.00 0.00 46.19 41.92 3dxa s LEU 103 CO -0.02 -0.58 0.23 0.00 0.23 0.00 0.00 176.35 176.20 3dxa s ALA 105 N 2.37 3.23 0.16 0.00 0.00 -0.89 -1.82 121.76 124.81 3dxa s ALA 105 Ca 0.03 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.00 3dxa s ALA 105 Cb -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3dxa s ALA 105 CO -0.09 0.05 0.11 -1.54 0.00 0.00 0.00 175.76 174.29 3dxa s SER 106 N -3.73 0.22 0.05 0.00 1.04 -0.09 -0.30 113.70 110.89 3dxa s SER 106 Ca 0.35 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.57 3dxa s SER 106 Cb 0.00 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3dxa s SER 106 CO 0.20 -0.79 -0.15 -0.13 0.98 0.00 0.00 173.24 173.34 3dxa s ARG 107 N -4.09 0.91 1.00 4.02 0.52 -0.63 0.35 118.95 121.03 3dxa s ARG 107 Ca 0.30 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 3dxa s ARG 107 Cb 0.07 -0.94 0.19 0.00 0.52 0.00 0.00 34.95 34.79 3dxa s ARG 107 CO 0.06 0.22 1.09 -0.47 0.02 0.00 0.00 175.30 176.22 3dxa s TYR 108 N -1.02 1.76 -0.98 -0.53 6.14 -1.26 -1.78 117.35 119.68 3dxa s TYR 108 Ca 0.01 1.40 -0.03 0.00 0.64 0.00 0.00 57.07 59.08 3dxa s TYR 108 Cb -0.09 -3.19 0.22 0.00 0.42 0.00 0.00 41.96 39.32 3dxa s TYR 108 CO 0.02 -3.05 2.21 2.89 0.64 0.00 0.00 175.55 178.26 3dxa n ARG 109 N -4.36 4.17 0.03 4.97 1.85 -1.20 -4.17 116.66 117.95 3dxa n ARG 109 Ca 0.07 -3.68 0.00 0.00 -1.00 0.00 0.00 57.85 53.24 3dxa n ARG 109 Cb 0.54 -2.43 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 3dxa n ARG 109 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3dxa n ASP 110 N 0.57 -0.01 -0.09 2.89 8.00 -1.26 -4.98 116.55 121.66 3dxa n ASP 110 Ca 0.53 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 56.03 3dxa n ASP 110 Cb 0.30 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 3dxa n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dxa n ASP 111 N -2.75 1.86 0.00 -2.24 9.92 -1.26 -4.96 116.55 117.13 3dxa n ASP 111 Ca 0.00 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 3dxa n ASP 111 Cb 0.00 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 3dxa n ASP 111 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3dxa n SER 112 N -4.51 0.00 -4.27 -2.24 3.41 -1.26 -5.06 113.62 99.70 3dxa n SER 112 Ca -0.18 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.10 3dxa n SER 112 Cb 0.47 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 3dxa n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dxa n TYR 113 N -0.67 -1.48 -1.89 7.33 4.11 -1.26 -4.78 117.16 118.52 3dxa n TYR 113 Ca 0.00 0.19 -0.40 0.00 -0.00 0.00 0.00 57.90 57.69 3dxa n TYR 113 Cb 0.00 -1.57 -0.02 0.00 -0.00 0.00 0.00 39.34 37.74 3dxa n TYR 113 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 3dxa n ASN 114 N -1.13 3.73 -4.27 9.48 2.85 -1.26 -4.90 115.26 119.77 3dxa n ASN 114 Ca 0.01 -2.80 -0.44 0.00 -0.11 0.00 0.00 54.58 51.24 3dxa n ASN 114 Cb 0.62 -1.57 -0.06 0.00 1.24 0.00 0.00 39.78 40.01 3dxa n ASN 114 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3dxa s GLU 115 N 4.40 2.93 -0.13 1.20 2.12 -1.26 -5.04 118.70 122.92 3dxa s GLU 115 Ca 0.55 -1.91 -0.22 0.00 0.36 0.00 0.00 54.97 53.75 3dxa s GLU 115 Cb 0.09 -4.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 3dxa s GLU 115 CO 0.04 -1.28 0.64 -0.65 -0.54 0.00 0.00 175.26 173.48 3dxa s GLN 116 N 1.17 4.34 -0.34 4.30 -0.21 -1.26 -4.55 119.66 123.11 3dxa s GLN 116 Ca 0.07 0.72 -0.09 0.00 0.02 0.00 0.00 55.36 56.08 3dxa s GLN 116 Cb -0.25 -3.50 0.02 0.00 1.00 0.00 0.00 33.01 30.28 3dxa s GLN 116 CO -0.01 -0.04 0.15 -0.06 -2.12 0.00 0.00 175.29 173.21 3dxa s PHE 117 N 1.22 3.21 0.50 0.91 0.08 0.16 -4.89 117.98 119.17 3dxa s PHE 117 Ca 0.33 -0.93 -0.04 0.00 0.12 0.00 0.00 56.93 56.41 3dxa s PHE 117 Cb -0.16 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 3dxa s PHE 117 CO 0.14 -0.59 0.79 -0.06 -0.10 0.00 0.00 175.22 175.39 3dxa s PHE 118 N 1.54 3.38 0.21 0.36 0.40 -1.26 -0.91 117.98 121.70 3dxa s PHE 118 Ca 0.02 0.61 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 3dxa s PHE 118 Cb -0.18 -2.43 0.02 0.00 0.51 0.00 0.00 43.02 40.94 3dxa s PHE 118 CO 0.05 -0.46 0.20 0.41 0.70 0.00 0.00 175.22 176.12 3dxa n GLY 119 N -2.31 2.67 0.16 4.36 0.00 -0.76 -4.26 105.19 105.07 3dxa n GLY 119 Ca 0.02 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 3dxa n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dxa h PRO 120 N 0.00 0.14 -0.13 1.61 0.13 -1.89 -3.44 132.00 128.42 3dxa h PRO 120 Ca -0.13 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3dxa h PRO 120 Cb 0.49 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3dxa h PRO 120 CO 0.19 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 3dxa n GLY 121 N 0.13 -0.63 3.72 1.56 0.00 -1.26 -4.99 105.19 103.72 3dxa n GLY 121 Ca -0.02 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3dxa n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dxa s THR 122 N -0.32 4.51 -0.46 2.61 2.01 -0.93 -4.75 115.64 118.32 3dxa s THR 122 Ca 0.00 1.96 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 3dxa s THR 122 Cb 0.00 -4.26 0.09 0.00 0.01 0.00 0.00 72.50 68.34 3dxa s THR 122 CO 0.00 0.24 0.34 -0.60 -0.69 0.00 0.00 174.62 173.91 3dxa s ARG 123 N 0.39 2.75 0.03 4.92 6.06 -0.65 -0.42 118.95 132.04 3dxa s ARG 123 Ca 0.50 -1.50 -0.14 0.00 -2.50 0.00 0.00 55.73 52.09 3dxa s ARG 123 Cb -0.24 -3.97 -0.06 0.00 0.06 0.00 0.00 34.95 30.74 3dxa s ARG 123 CO 0.30 -1.06 0.43 -1.17 -2.50 0.00 0.00 175.30 171.30 3dxa s LEU 124 N 1.50 4.45 -0.22 -0.88 2.96 -0.88 -0.30 118.68 125.32 3dxa s LEU 124 Ca 0.04 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 3dxa s LEU 124 Cb -0.25 -2.72 0.09 0.00 0.50 0.00 0.00 46.19 43.81 3dxa s LEU 124 CO 0.03 0.28 0.19 -0.89 -1.32 0.00 0.00 176.35 174.65 3dxa s THR 125 N -1.16 -0.25 -0.08 3.68 2.01 -0.72 -2.78 115.64 116.34 3dxa s THR 125 Ca 0.27 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 3dxa s THR 125 Cb -0.16 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 3dxa s THR 125 CO 0.15 -0.32 0.38 -0.69 -0.69 0.00 0.00 174.62 173.45 3dxa s VAL 126 N 2.26 5.16 0.12 3.82 1.01 -1.26 -3.18 120.40 128.34 3dxa s VAL 126 Ca 0.06 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.89 3dxa s VAL 126 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3dxa s VAL 126 CO -0.17 0.47 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 3dxa s LEU 127 N -0.26 2.34 0.07 3.92 1.43 -0.51 -4.65 118.68 121.01 3dxa s LEU 127 Ca 0.22 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 3dxa s LEU 127 Cb -0.15 -0.93 -0.11 0.00 0.03 0.00 0.00 46.19 45.03 3dxa s LEU 127 CO 0.10 0.06 1.39 -0.33 0.23 0.00 0.00 176.35 177.79 3dxa h GLU 128 N 3.82 -0.59 -4.46 1.70 3.07 -1.92 -3.20 114.58 113.00 3dxa h GLU 128 Ca -0.46 0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.25 3dxa h GLU 128 Cb 1.19 0.13 -0.15 0.00 -0.84 0.00 0.00 28.75 29.08 3dxa h GLU 128 CO 0.42 -0.39 -0.65 0.16 -1.40 0.00 0.00 179.01 177.15 3dxa s ASP 129 N -3.89 0.33 0.00 1.42 -4.77 -1.26 -4.25 116.67 104.26 3dxa s ASP 129 Ca -0.12 -1.23 0.29 0.00 -3.30 0.00 0.00 52.55 48.19 3dxa s ASP 129 Cb 0.04 0.30 1.26 0.00 -1.09 0.00 0.00 42.92 43.42 3dxa s ASP 129 CO 0.43 -0.73 1.92 0.18 0.70 0.00 0.00 175.17 177.66 3dxa n LEU 130 N -0.12 0.06 0.27 2.11 4.77 -1.26 -3.51 117.00 119.31 3dxa n LEU 130 Ca -0.05 0.39 0.16 0.00 -0.03 0.00 0.00 56.01 56.49 3dxa n LEU 130 Cb 0.64 -0.41 0.88 0.00 -2.33 0.00 0.00 43.42 42.20 3dxa n LEU 130 CO 0.31 0.01 1.03 0.07 -1.33 0.00 0.00 177.39 177.49 3dxa h LYS 131 N 0.03 0.00 0.00 3.23 2.10 -1.97 -1.83 116.57 118.12 3dxa h LYS 131 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3dxa h LYS 131 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 3dxa h LYS 131 CO 0.00 0.00 -0.26 -0.91 -2.00 0.00 0.00 179.45 176.28 3dxa h ASN 132 N 0.00 0.00 -3.03 7.07 2.35 -1.98 -3.45 115.58 116.54 3dxa h ASN 132 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3dxa h ASN 132 Cb 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3dxa h ASN 132 CO 0.00 0.26 1.10 -0.69 -1.65 0.00 0.00 177.43 176.46 3dxa s VAL 133 N -3.29 3.82 0.09 2.81 1.01 -0.69 -4.70 120.40 119.45 3dxa s VAL 133 Ca 0.03 0.87 0.09 0.00 0.00 0.00 0.00 61.98 62.98 3dxa s VAL 133 Cb 0.08 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dxa s VAL 133 CO 0.68 -0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 174.67 3dxa s PHE 134 N 5.47 2.47 0.96 5.22 0.08 -0.14 -4.76 117.98 127.28 3dxa s PHE 134 Ca 0.66 -0.30 -0.16 0.00 0.12 0.00 0.00 56.93 57.25 3dxa s PHE 134 Cb -0.18 -1.36 0.22 0.00 -0.57 0.00 0.00 43.02 41.13 3dxa s PHE 134 CO 0.30 0.32 1.29 -0.35 -0.10 0.00 0.00 175.22 176.68 3dxa n PRO 135 N 1.11 -1.32 -3.47 0.24 -0.04 -1.26 -1.79 135.00 128.47 3dxa n PRO 135 Ca -0.16 -1.99 -0.24 0.00 -0.04 0.00 0.00 63.50 61.07 3dxa n PRO 135 Cb 0.53 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 3dxa n PRO 135 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3dxa s PRO 136 N -5.81 3.49 -0.19 0.54 0.04 -1.26 -3.85 135.00 127.96 3dxa s PRO 136 Ca 0.73 -0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.42 3dxa s PRO 136 Cb -0.02 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.84 3dxa s PRO 136 CO 0.51 0.21 -0.19 -1.21 0.04 0.00 0.00 177.00 176.36 3dxa s GLU 137 N -4.13 2.95 -0.11 4.56 2.02 -0.63 -4.89 118.70 118.47 3dxa s GLU 137 Ca 0.39 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 3dxa s GLU 137 Cb -0.10 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 3dxa s GLU 137 CO 0.34 -0.23 0.04 0.08 0.02 0.00 0.00 175.26 175.50 3dxa s VAL 138 N 1.28 4.60 -0.00 2.63 1.01 -1.26 -1.83 120.40 126.82 3dxa s VAL 138 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3dxa s VAL 138 Cb -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3dxa s VAL 138 CO -0.12 0.58 0.15 0.00 0.00 0.00 0.00 175.10 175.71 3dxa s ALA 139 N -0.65 -0.36 0.08 5.51 0.00 -1.13 -4.49 121.76 120.71 3dxa s ALA 139 Ca 0.11 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.09 3dxa s ALA 139 Cb -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3dxa s ALA 139 CO 0.02 -0.21 -0.26 0.54 0.00 0.00 0.00 175.76 175.85 3dxa s VAL 140 N -1.32 2.15 -0.15 0.00 0.11 -1.26 -2.39 120.40 117.55 3dxa s VAL 140 Ca -0.14 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 57.40 3dxa s VAL 140 Cb -0.07 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 3dxa s VAL 140 CO 0.02 0.25 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.50 3dxa s PHE 141 N -0.90 2.74 0.70 1.54 0.08 -0.63 -5.02 117.98 116.48 3dxa s PHE 141 Ca 0.12 -1.17 -0.17 0.00 0.12 0.00 0.00 56.93 55.84 3dxa s PHE 141 Cb -0.10 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3dxa s PHE 141 CO 0.03 -0.53 1.23 0.39 -0.10 0.00 0.00 175.22 176.24 3dxa n GLU 142 N 4.09 0.81 -1.36 0.44 1.02 -1.26 -3.14 120.64 121.23 3dxa n GLU 142 Ca -0.19 0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 3dxa n GLU 142 Cb 0.52 -2.47 0.12 0.00 -0.02 0.00 0.00 31.44 29.59 3dxa n GLU 142 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dxa s PRO 143 N -3.54 1.59 0.28 3.49 0.04 -1.26 -4.88 135.00 130.72 3dxa s PRO 143 Ca 0.79 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 3dxa s PRO 143 Cb -0.36 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3dxa s PRO 143 CO 0.44 -1.99 0.76 0.45 0.04 0.00 0.00 177.00 176.71 3dxa s SER 144 N -3.65 6.96 0.29 6.66 0.15 -1.26 -4.98 113.70 117.87 3dxa s SER 144 Ca 0.62 1.42 0.07 0.00 0.70 0.00 0.00 55.95 58.77 3dxa s SER 144 Cb -0.16 -2.42 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 3dxa s SER 144 CO 0.56 -0.10 1.67 -0.33 1.20 0.00 0.00 173.24 176.23 3dxa h GLU 145 N 2.83 0.17 -0.21 5.44 4.39 -1.98 -2.51 114.58 122.72 3dxa h GLU 145 Ca -0.48 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 3dxa h GLU 145 Cb 1.18 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3dxa h GLU 145 CO 0.65 0.62 0.10 0.00 -1.16 0.00 0.00 179.01 179.22 3dxa h ALA 146 N 1.36 0.27 -0.68 3.43 0.00 -1.99 -2.39 119.26 119.26 3dxa h ALA 146 Ca 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dxa h ALA 146 Cb 0.92 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3dxa h ALA 146 CO 0.07 -0.17 0.43 1.49 0.00 0.00 0.00 179.25 181.07 3dxa h GLU 147 N 0.20 0.83 0.54 0.00 4.81 -1.86 -0.58 114.58 118.52 3dxa h GLU 147 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3dxa h GLU 147 Cb 0.13 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3dxa h GLU 147 CO -0.01 0.55 -0.40 0.82 -0.73 0.00 0.00 179.01 179.24 3dxa h ILE 148 N 0.85 0.20 0.00 2.32 2.04 -1.34 0.39 117.51 121.96 3dxa h ILE 148 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 3dxa h ILE 148 Cb -0.01 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3dxa h ILE 148 CO -0.09 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.83 3dxa h SER 149 N -0.91 0.00 0.00 1.72 4.64 -1.28 -0.31 113.55 117.41 3dxa h SER 149 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3dxa h SER 149 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dxa h SER 149 CO 0.02 0.00 -0.03 1.57 -0.87 0.00 0.00 176.83 177.52 3dxa n HIS 150 N -2.38 0.03 1.14 4.77 -0.00 -0.24 -4.70 115.22 113.84 3dxa n HIS 150 Ca 0.03 0.01 0.14 0.00 -0.00 0.00 0.00 57.72 57.90 3dxa n HIS 150 Cb 0.30 -0.21 0.60 0.00 -0.00 0.00 0.00 29.99 30.67 3dxa n HIS 150 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3dxa n THR 151 N -2.42 0.00 -2.81 3.57 -2.24 0.13 -4.90 114.28 105.61 3dxa n THR 151 Ca -0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 3dxa n THR 151 Cb 0.02 -0.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 3dxa n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxa n GLN 152 N -1.39 -3.53 -4.32 -0.78 1.13 -0.13 -4.99 117.38 103.37 3dxa n GLN 152 Ca 0.09 0.87 -0.19 0.00 -1.94 0.00 0.00 57.00 55.84 3dxa n GLN 152 Cb 0.31 -5.64 -0.09 0.00 0.11 0.00 0.00 30.24 24.94 3dxa n GLN 152 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dxa s LYS 153 N -5.47 1.64 -0.19 -1.09 1.02 -1.25 -2.80 119.74 111.59 3dxa s LYS 153 Ca 0.19 -1.94 -0.04 0.00 0.02 0.00 0.00 55.97 54.20 3dxa s LYS 153 Cb -0.09 0.03 0.09 0.00 -0.52 0.00 0.00 37.83 37.34 3dxa s LYS 153 CO 0.24 -0.51 0.21 0.00 -0.92 0.00 0.00 175.35 174.37 3dxa s ALA 154 N -3.58 -0.24 -0.48 5.17 0.00 0.87 -3.44 121.76 120.07 3dxa s ALA 154 Ca 0.36 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 3dxa s ALA 154 Cb 0.04 -1.25 0.07 0.00 0.00 0.00 0.00 23.12 21.98 3dxa s ALA 154 CO 0.20 -1.13 0.47 0.99 0.00 0.00 0.00 175.76 176.29 3dxa s THR 155 N 2.32 5.12 0.38 0.00 2.01 -1.26 -1.71 115.64 122.50 3dxa s THR 155 Ca 0.06 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 3dxa s THR 155 Cb -0.15 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 3dxa s THR 155 CO -0.11 -0.64 0.90 -0.76 -0.69 0.00 0.00 174.62 173.32 3dxa s LEU 156 N 1.97 4.06 0.05 4.42 1.02 0.13 -4.10 118.68 126.23 3dxa s LEU 156 Ca 0.08 1.64 0.04 0.00 0.02 0.00 0.00 54.13 55.91 3dxa s LEU 156 Cb -0.22 -4.31 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 3dxa s LEU 156 CO 0.09 -0.26 -0.13 -0.69 0.02 0.00 0.00 176.35 175.38 3dxa s VAL 157 N -2.00 0.99 -0.06 -1.59 1.01 -1.19 -0.90 120.40 116.66 3dxa s VAL 157 Ca 0.57 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3dxa s VAL 157 Cb -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3dxa s VAL 157 CO 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 175.10 175.00 3dxa s LEU 159 N 0.76 2.84 -0.31 0.00 1.43 -1.00 -0.89 118.68 121.52 3dxa s LEU 159 Ca -0.13 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 3dxa s LEU 159 Cb -0.15 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 3dxa s LEU 159 CO 0.02 -0.09 0.15 0.00 0.23 0.00 0.00 176.35 176.66 3dxa s ALA 160 N 1.26 3.26 -0.01 4.21 0.00 -0.41 -2.86 121.76 127.21 3dxa s ALA 160 Ca -0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3dxa s ALA 160 Cb -0.16 -2.36 0.08 0.00 0.00 0.00 0.00 23.12 20.68 3dxa s ALA 160 CO -0.08 -0.91 0.72 0.95 0.00 0.00 0.00 175.76 176.44 3dxa s THR 161 N 1.60 0.00 -0.10 0.00 -4.23 -0.76 -1.38 115.64 110.78 3dxa s THR 161 Ca 0.04 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 3dxa s THR 161 Cb -0.17 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3dxa s THR 161 CO 0.06 0.00 -0.23 -0.83 -0.54 0.00 0.00 174.62 173.08 3dxa s GLY 162 N -1.68 1.26 0.08 3.99 0.00 -1.26 -1.61 107.32 108.10 3dxa s GLY 162 Ca -0.05 -0.90 0.06 0.00 0.00 0.00 0.00 44.72 43.82 3dxa s GLY 162 CO 0.02 -0.28 -0.15 -0.11 0.00 0.00 0.00 173.10 172.58 3dxa s PHE 163 N 0.38 1.31 -0.14 1.90 -0.71 -1.11 -4.60 117.98 115.01 3dxa s PHE 163 Ca -0.18 -0.45 -0.07 0.00 -1.04 0.00 0.00 56.93 55.18 3dxa s PHE 163 Cb -0.18 -0.74 0.05 0.00 -1.21 0.00 0.00 43.02 40.95 3dxa s PHE 163 CO 0.08 0.08 0.33 -0.47 -1.34 0.00 0.00 175.22 173.90 3dxa s TYR 164 N -1.25 -0.48 0.90 3.49 6.14 -0.74 -0.63 117.35 124.78 3dxa s TYR 164 Ca -0.01 1.06 -0.10 0.00 0.64 0.00 0.00 57.07 58.66 3dxa s TYR 164 Cb -0.10 0.15 0.20 0.00 0.42 0.00 0.00 41.96 42.63 3dxa s TYR 164 CO 0.03 -0.30 1.23 -1.25 0.64 0.00 0.00 175.55 175.89 3dxa s PRO 165 N 1.45 0.80 -0.03 4.97 0.05 -1.26 -0.96 135.00 140.02 3dxa s PRO 165 Ca -0.08 -0.81 0.01 0.00 0.05 0.00 0.00 61.00 60.16 3dxa s PRO 165 Cb -0.10 -2.02 0.07 0.00 0.05 0.00 0.00 34.50 32.50 3dxa s PRO 165 CO -0.11 -2.20 0.73 -0.40 0.05 0.00 0.00 177.00 175.08 3dxa n ASP 166 N -3.49 1.84 -4.47 6.66 5.75 -1.26 -4.66 116.55 116.93 3dxa n ASP 166 Ca 0.17 -2.10 -0.44 0.00 -0.01 0.00 0.00 54.79 52.41 3dxa n ASP 166 Cb 0.60 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 3dxa n ASP 166 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3dxa s HIS 167 N -0.94 3.13 0.01 2.11 2.46 -1.26 -4.95 115.29 115.85 3dxa s HIS 167 Ca 0.05 -1.49 -0.08 0.00 0.47 0.00 0.00 55.06 54.01 3dxa s HIS 167 Cb 0.04 -4.34 0.00 0.00 -0.13 0.00 0.00 32.58 28.15 3dxa s HIS 167 CO 0.01 -1.52 0.17 0.14 -2.47 0.00 0.00 174.74 171.07 3dxa s VAL 168 N 2.74 0.09 -0.06 0.89 -7.23 -1.26 -2.60 120.40 112.97 3dxa s VAL 168 Ca 0.36 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 3dxa s VAL 168 Cb -0.04 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.29 3dxa s VAL 168 CO -0.07 -0.42 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.59 3dxa s GLU 169 N -1.82 1.39 0.03 4.82 2.02 0.01 -4.96 118.70 120.19 3dxa s GLU 169 Ca -0.11 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.60 3dxa s GLU 169 Cb -0.05 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.93 3dxa s GLU 169 CO -0.00 -0.01 -0.01 -1.17 0.02 0.00 0.00 175.26 174.09 3dxa s LEU 170 N 0.76 3.46 -0.15 1.80 0.20 -1.26 0.04 118.68 123.53 3dxa s LEU 170 Ca -0.13 -0.09 -0.23 0.00 0.69 0.00 0.00 54.13 54.37 3dxa s LEU 170 Cb -0.15 -2.07 0.06 0.00 -0.43 0.00 0.00 46.19 43.60 3dxa s LEU 170 CO 0.02 0.24 0.59 -0.94 -0.29 0.00 0.00 176.35 175.97 3dxa s SER 171 N -1.83 -0.59 0.11 3.68 1.04 -0.28 -5.01 113.70 110.82 3dxa s SER 171 Ca 0.22 0.95 -0.00 0.00 0.48 0.00 0.00 55.95 57.59 3dxa s SER 171 Cb -0.12 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 3dxa s SER 171 CO 0.13 -0.35 0.27 0.26 0.98 0.00 0.00 173.24 174.54 3dxa s TRP 172 N -0.29 3.50 -0.31 5.02 0.52 -1.26 -0.66 118.94 125.46 3dxa s TRP 172 Ca -0.05 0.27 -0.02 0.00 0.02 0.00 0.00 56.10 56.32 3dxa s TRP 172 Cb -0.03 -1.78 0.12 0.00 -1.15 0.00 0.00 33.47 30.62 3dxa s TRP 172 CO 0.04 0.52 0.18 -1.58 0.02 0.00 0.00 176.95 176.13 3dxa s TRP 173 N -1.63 0.25 -0.17 -1.98 0.52 0.10 -2.55 118.94 113.48 3dxa s TRP 173 Ca 0.36 -0.92 -0.22 0.00 0.02 0.00 0.00 56.10 55.35 3dxa s TRP 173 Cb -0.12 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 3dxa s TRP 173 CO 0.28 -0.85 0.66 0.08 0.02 0.00 0.00 176.95 177.14 3dxa s VAL 174 N 1.90 5.01 -1.22 4.03 1.01 -0.60 -1.69 120.40 128.85 3dxa s VAL 174 Ca 0.11 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 3dxa s VAL 174 Cb -0.17 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 3dxa s VAL 174 CO -0.27 0.13 0.69 0.59 0.00 0.00 0.00 175.10 176.24 3dxa n ASN 175 N 4.79 -3.83 -4.18 3.32 3.02 0.48 -2.26 115.26 116.60 3dxa n ASN 175 Ca -0.01 -1.03 -0.34 0.00 -0.03 0.00 0.00 54.58 53.17 3dxa n ASN 175 Cb 0.50 -3.17 -0.03 0.00 -0.61 0.00 0.00 39.78 36.47 3dxa n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxa n GLY 176 N -1.79 -0.39 3.36 7.41 0.00 -1.26 -4.95 105.19 107.57 3dxa n GLY 176 Ca -0.16 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3dxa n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dxa s LYS 177 N -6.88 0.47 0.55 1.61 2.20 -0.96 -5.12 119.74 111.61 3dxa s LYS 177 Ca 0.56 0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 56.84 3dxa s LYS 177 Cb -0.31 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.00 3dxa s LYS 177 CO 0.93 -0.15 1.23 -2.00 -0.36 0.00 0.00 175.35 174.99 3dxa s GLU 178 N 1.37 3.22 -0.02 4.03 2.12 -1.26 -1.56 118.70 126.60 3dxa s GLU 178 Ca -0.09 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.15 3dxa s GLU 178 Cb -0.07 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 32.20 3dxa s GLU 178 CO -0.13 -1.03 -0.04 0.14 -0.54 0.00 0.00 175.26 173.66 3dxa s VAL 179 N -1.52 0.38 -0.15 3.70 -7.23 -1.06 -4.83 120.40 109.68 3dxa s VAL 179 Ca 0.73 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.79 3dxa s VAL 179 Cb -0.32 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 3dxa s VAL 179 CO 0.36 0.14 0.14 1.41 -0.31 0.00 0.00 175.10 176.84 3dxa n HIS 180 N 3.41 0.00 -2.73 2.82 8.25 -1.26 -4.46 115.22 121.26 3dxa n HIS 180 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 3dxa n HIS 180 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 3dxa n HIS 180 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dxa s SER 181 N -1.28 7.21 -0.03 0.41 0.15 -1.26 -3.59 113.70 115.32 3dxa s SER 181 Ca 0.01 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.15 3dxa s SER 181 Cb 0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3dxa s SER 181 CO 0.13 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3dxa n GLY 182 N 3.12 0.40 3.53 9.45 0.00 -1.26 -4.81 105.19 115.62 3dxa n GLY 182 Ca 0.08 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 3dxa n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxa s VAL 183 N -2.01 4.11 -0.18 1.61 1.01 -1.24 -1.80 120.40 121.91 3dxa s VAL 183 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3dxa s VAL 183 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3dxa s VAL 183 CO 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 175.10 175.58 3dxa s THR 185 N 1.75 4.79 0.21 0.00 2.01 -1.26 -1.10 115.64 122.05 3dxa s THR 185 Ca -0.00 -0.50 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 3dxa s THR 185 Cb -0.16 -3.25 -0.14 0.00 0.01 0.00 0.00 72.50 68.96 3dxa s THR 185 CO -0.07 0.25 1.40 0.47 -0.69 0.00 0.00 174.62 175.99 3dxa n ASP 186 N 0.84 2.58 0.05 3.53 8.00 0.04 -4.90 116.55 126.68 3dxa n ASP 186 Ca -0.11 1.13 -0.13 0.00 0.71 0.00 0.00 54.79 56.40 3dxa n ASP 186 Cb 0.52 -1.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.14 3dxa n ASP 186 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3dxa h PRO 187 N 4.44 -0.13 -5.66 -0.24 0.13 -1.97 -3.45 132.00 125.12 3dxa h PRO 187 Ca -0.45 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 3dxa h PRO 187 Cb 1.28 0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 3dxa h PRO 187 CO 0.77 0.25 -0.81 -1.14 -0.23 0.00 0.00 178.00 176.84 3dxa s GLN 188 N -4.49 1.14 0.60 0.86 2.00 -1.26 -5.15 119.66 113.36 3dxa s GLN 188 Ca -0.15 -0.83 -0.05 0.00 -2.00 0.00 0.00 55.36 52.33 3dxa s GLN 188 Cb 0.02 -1.20 0.02 0.00 0.80 0.00 0.00 33.01 32.65 3dxa s GLN 188 CO 0.62 0.30 0.90 -1.25 -0.50 0.00 0.00 175.29 175.36 3dxa s PRO 189 N -1.13 2.79 0.19 1.67 0.05 -1.26 -5.00 135.00 132.30 3dxa s PRO 189 Ca 0.04 -0.11 0.06 0.00 0.05 0.00 0.00 61.00 61.04 3dxa s PRO 189 Cb -0.08 -2.28 -0.04 0.00 0.05 0.00 0.00 34.50 32.15 3dxa s PRO 189 CO 0.01 -0.77 0.12 -0.48 0.05 0.00 0.00 177.00 175.93 3dxa s LEU 190 N -5.00 3.69 0.18 -3.56 0.05 -0.84 -4.88 118.68 108.32 3dxa s LEU 190 Ca 0.55 -0.23 -0.27 0.00 0.05 0.00 0.00 54.13 54.23 3dxa s LEU 190 Cb -0.11 -2.29 -0.08 0.00 -2.05 0.00 0.00 46.19 41.67 3dxa s LEU 190 CO 0.44 0.04 0.85 -0.54 -0.55 0.00 0.00 176.35 176.60 3dxa s LYS 191 N -3.28 4.68 -0.07 1.48 1.02 -1.26 -1.14 119.74 121.17 3dxa s LYS 191 Ca 0.31 1.30 -0.23 0.00 0.02 0.00 0.00 55.97 57.36 3dxa s LYS 191 Cb -0.09 -3.28 -0.19 0.00 -0.52 0.00 0.00 37.83 33.75 3dxa s LYS 191 CO 0.23 0.51 0.92 0.93 -0.92 0.00 0.00 175.35 177.02 3dxa h GLU 192 N 4.41 -0.10 -2.60 1.68 5.08 -1.31 -3.38 114.58 118.36 3dxa h GLU 192 Ca -0.46 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.27 3dxa h GLU 192 Cb 1.20 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.08 3dxa h GLU 192 CO 0.67 0.46 -0.39 1.04 -1.00 0.00 0.00 179.01 179.79 3dxa n GLN 193 N -4.83 2.58 0.32 2.33 6.02 -1.26 -4.97 117.38 117.57 3dxa n GLN 193 Ca -0.08 -4.60 0.22 0.00 -0.01 0.00 0.00 57.00 52.52 3dxa n GLN 193 Cb 0.30 -2.31 1.15 0.00 1.02 0.00 0.00 30.24 30.40 3dxa n GLN 193 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dxa h PRO 194 N 4.78 0.00 0.00 -1.09 0.13 -1.93 -0.88 132.00 133.01 3dxa h PRO 194 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dxa h PRO 194 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3dxa h PRO 194 CO 0.86 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.63 3dxa n ALA 195 N -2.05 2.56 -2.70 -0.56 0.00 -1.26 -4.80 120.51 111.71 3dxa n ALA 195 Ca -0.03 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3dxa n ALA 195 Cb 0.07 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 3dxa n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxa s LEU 196 N -1.68 3.58 0.30 0.00 1.02 -0.34 -5.03 118.68 116.53 3dxa s LEU 196 Ca 0.31 -0.00 0.09 0.00 0.02 0.00 0.00 54.13 54.55 3dxa s LEU 196 Cb 0.14 -2.10 0.48 0.00 0.02 0.00 0.00 46.19 44.74 3dxa s LEU 196 CO 0.24 0.26 1.70 0.78 0.02 0.00 0.00 176.35 179.35 3dxa h ASN 197 N 4.16 0.11 -0.36 2.29 4.21 -1.88 -3.10 115.58 121.01 3dxa h ASN 197 Ca -0.49 -0.05 -0.20 0.00 1.21 0.00 0.00 56.30 56.77 3dxa h ASN 197 Cb 1.18 -0.03 -0.12 0.00 -1.12 0.00 0.00 38.32 38.22 3dxa h ASN 197 CO 0.59 0.58 -0.12 -0.90 -1.29 0.00 0.00 177.43 176.28 3dxa n ASP 198 N -3.97 2.58 -4.74 5.81 5.68 -1.26 -5.05 116.55 115.60 3dxa n ASP 198 Ca -0.02 -3.81 -0.42 0.00 -0.50 0.00 0.00 54.79 50.05 3dxa n ASP 198 Cb 0.51 -0.63 -0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3dxa n ASP 198 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3dxa n SER 199 N -1.11 3.24 -4.85 -1.12 2.88 -1.18 -4.98 113.62 106.51 3dxa n SER 199 Ca 0.34 1.21 -0.32 0.00 -1.33 0.00 0.00 58.87 58.77 3dxa n SER 199 Cb 1.01 -1.55 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 3dxa n SER 199 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3dxa s ARG 200 N -2.03 3.89 0.55 -1.46 0.52 -1.26 -4.86 118.95 114.31 3dxa s ARG 200 Ca 0.55 0.89 0.08 0.00 -0.52 0.00 0.00 55.73 56.73 3dxa s ARG 200 Cb -0.52 -2.15 0.08 0.00 0.52 0.00 0.00 34.95 32.88 3dxa s ARG 200 CO 0.63 -0.29 0.66 0.66 0.02 0.00 0.00 175.30 176.97 3dxa n TYR 201 N -1.70 -1.75 -3.64 -0.53 4.01 0.20 -0.92 117.16 112.83 3dxa n TYR 201 Ca 0.06 -2.12 -0.06 0.00 -0.16 0.00 0.00 57.90 55.62 3dxa n TYR 201 Cb 0.54 -0.50 -0.07 0.00 -0.31 0.00 0.00 39.34 39.00 3dxa n TYR 201 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dxa s ALA 202 N -2.71 -2.06 -0.03 -0.72 0.00 -0.29 -2.75 121.76 113.19 3dxa s ALA 202 Ca 0.50 2.23 0.04 0.00 0.00 0.00 0.00 51.96 54.72 3dxa s ALA 202 Cb -0.04 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 3dxa s ALA 202 CO 0.32 -0.34 -0.15 -1.17 0.00 0.00 0.00 175.76 174.41 3dxa s LEU 203 N 1.23 1.90 0.18 0.00 2.96 -0.48 -1.99 118.68 122.48 3dxa s LEU 203 Ca -0.07 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 3dxa s LEU 203 Cb -0.04 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 3dxa s LEU 203 CO -0.14 0.14 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.00 3dxa s SER 204 N 0.02 4.34 0.08 3.68 1.04 -1.26 -1.29 113.70 120.32 3dxa s SER 204 Ca -0.02 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 55.68 3dxa s SER 204 Cb -0.10 -0.77 0.04 0.00 0.10 0.00 0.00 66.02 65.29 3dxa s SER 204 CO 0.01 0.10 0.41 -0.55 0.98 0.00 0.00 173.24 174.19 3dxa s SER 205 N -2.86 -0.26 -0.03 7.02 0.15 -0.06 -0.78 113.70 116.87 3dxa s SER 205 Ca 0.25 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.78 3dxa s SER 205 Cb -0.09 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3dxa s SER 205 CO 0.16 -0.76 -0.12 -0.13 1.20 0.00 0.00 173.24 173.59 3dxa s ARG 206 N -3.15 1.25 -0.11 5.44 3.00 -0.26 -0.59 118.95 124.53 3dxa s ARG 206 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 55.73 55.32 3dxa s ARG 206 Cb 0.01 -1.13 0.01 0.00 0.00 0.00 0.00 34.95 33.84 3dxa s ARG 206 CO -0.07 0.16 -0.17 -1.17 0.00 0.00 0.00 175.30 174.06 3dxa s LEU 207 N 0.13 1.80 -0.11 2.53 1.98 -0.07 -1.87 118.68 123.06 3dxa s LEU 207 Ca -0.03 -0.46 0.04 0.00 -2.89 0.00 0.00 54.13 50.79 3dxa s LEU 207 Cb -0.09 -1.16 0.00 0.00 0.66 0.00 0.00 46.19 45.60 3dxa s LEU 207 CO 0.01 0.03 -0.23 -0.60 -1.89 0.00 0.00 176.35 173.67 3dxa s ARG 208 N 0.94 3.05 0.17 1.98 3.52 -0.74 0.20 118.95 128.06 3dxa s ARG 208 Ca -0.07 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 54.66 3dxa s ARG 208 Cb -0.15 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 3dxa s ARG 208 CO -0.01 0.15 0.06 0.14 -0.81 0.00 0.00 175.30 174.83 3dxa s VAL 209 N 0.41 0.24 0.47 7.11 -7.23 -0.69 -4.72 120.40 115.99 3dxa s VAL 209 Ca -0.17 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.81 3dxa s VAL 209 Cb -0.18 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 3dxa s VAL 209 CO 0.07 -0.32 1.35 -0.94 -0.31 0.00 0.00 175.10 174.95 3dxa s SER 210 N -3.12 5.80 0.29 4.85 1.04 -1.26 -0.09 113.70 121.20 3dxa s SER 210 Ca 0.29 2.75 0.01 0.00 0.48 0.00 0.00 55.95 59.47 3dxa s SER 210 Cb 0.07 -2.64 0.53 0.00 0.10 0.00 0.00 66.02 64.08 3dxa s SER 210 CO 0.05 -1.21 1.86 0.00 0.98 0.00 0.00 173.24 174.93 3dxa h ALA 211 N 2.09 1.51 0.00 5.32 0.00 -1.71 -1.35 119.26 125.11 3dxa h ALA 211 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3dxa h ALA 211 Cb 1.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dxa h ALA 211 CO 0.60 0.28 -0.12 1.79 0.00 0.00 0.00 179.25 181.81 3dxa h THR 212 N 1.03 0.30 0.16 0.00 1.35 -1.90 0.40 112.91 114.25 3dxa h THR 212 Ca 0.47 -0.83 -0.31 0.00 -0.55 0.00 0.00 66.41 65.19 3dxa h THR 212 Cb 0.38 1.64 0.03 0.00 -1.73 0.00 0.00 68.15 68.48 3dxa h THR 212 CO -0.22 0.11 -1.31 0.15 -0.25 0.00 0.00 175.52 174.00 3dxa h PHE 213 N 0.00 0.95 -0.35 4.73 3.57 -1.63 -3.05 116.94 121.15 3dxa h PHE 213 Ca -0.00 -0.63 -0.17 0.00 3.53 0.00 0.00 57.97 60.70 3dxa h PHE 213 Cb 0.63 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3dxa h PHE 213 CO 0.00 1.48 -0.43 2.35 -2.23 0.00 0.00 178.31 179.48 3dxa h TRP 214 N 0.22 1.11 0.00 0.41 2.91 -1.16 -3.14 115.95 116.29 3dxa h TRP 214 Ca -0.20 -0.35 0.00 0.00 1.13 0.00 0.00 58.89 59.47 3dxa h TRP 214 Cb 2.00 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 30.42 3dxa h TRP 214 CO 0.11 1.18 0.00 1.04 -1.03 0.00 0.00 178.44 179.74 3dxa n GLN 215 N -4.06 0.09 -2.76 2.65 6.02 0.14 -2.66 117.38 116.79 3dxa n GLN 215 Ca -0.03 0.49 -0.43 0.00 -0.01 0.00 0.00 57.00 57.02 3dxa n GLN 215 Cb 0.57 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3dxa n GLN 215 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3dxa s ASN 216 N -3.60 6.54 0.00 1.08 2.47 -1.15 -4.02 114.94 116.26 3dxa s ASN 216 Ca 0.01 0.22 0.14 0.00 0.42 0.00 0.00 52.86 53.65 3dxa s ASN 216 Cb 0.06 -2.48 0.82 0.00 -1.45 0.00 0.00 41.25 38.20 3dxa s ASN 216 CO 0.19 -1.10 1.35 -2.65 -3.72 0.00 0.00 177.10 171.18 3dxa n PRO 217 N 7.33 0.76 0.04 0.43 -0.02 -1.26 -2.41 135.00 139.87 3dxa n PRO 217 Ca 0.08 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3dxa n PRO 217 Cb 0.49 -1.28 0.01 0.00 -0.02 0.00 0.00 33.50 32.69 3dxa n PRO 217 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3dxa n ARG 218 N -0.78 0.39 -2.31 -0.52 1.85 -1.26 -4.25 116.66 109.78 3dxa n ARG 218 Ca 0.10 0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.54 3dxa n ARG 218 Cb 0.05 -1.64 -0.03 0.00 -1.05 0.00 0.00 32.46 29.79 3dxa n ARG 218 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3dxa s ASN 219 N -4.30 6.96 0.02 2.89 0.01 -1.01 -4.87 114.94 114.65 3dxa s ASN 219 Ca 0.02 2.13 0.02 0.00 -0.71 0.00 0.00 52.86 54.31 3dxa s ASN 219 Cb 0.13 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 3dxa s ASN 219 CO 0.81 -0.57 0.01 -2.28 -1.51 0.00 0.00 177.10 173.56 3dxa s HIS 220 N 1.29 3.07 -0.07 2.20 5.65 -1.26 -0.08 115.29 126.09 3dxa s HIS 220 Ca 0.61 0.06 -0.00 0.00 0.25 0.00 0.00 55.06 55.98 3dxa s HIS 220 Cb -0.32 -1.64 0.03 0.00 -1.18 0.00 0.00 32.58 29.46 3dxa s HIS 220 CO 0.29 0.47 -0.03 -0.06 -0.65 0.00 0.00 174.74 174.76 3dxa s PHE 221 N -1.15 0.83 -0.13 3.88 0.08 0.14 -0.39 117.98 121.23 3dxa s PHE 221 Ca 0.21 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.01 3dxa s PHE 221 Cb -0.12 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 3dxa s PHE 221 CO 0.13 -0.31 -0.16 0.50 -0.10 0.00 0.00 175.22 175.28 3dxa s ARG 222 N 1.55 2.39 -0.29 0.44 3.52 -0.68 -0.04 118.95 125.84 3dxa s ARG 222 Ca -0.01 -0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 54.81 3dxa s ARG 222 Cb -0.13 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 3dxa s ARG 222 CO -0.04 -0.12 0.44 0.00 -0.81 0.00 0.00 175.30 174.77 3dxa s GLN 224 N 2.21 2.73 -0.19 0.00 0.74 0.16 -1.59 119.66 123.72 3dxa s GLN 224 Ca 0.17 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.94 3dxa s GLN 224 Cb -0.16 -2.63 0.06 0.00 1.10 0.00 0.00 33.01 31.39 3dxa s GLN 224 CO 0.11 0.63 0.03 0.08 -0.55 0.00 0.00 175.29 175.58 3dxa s VAL 225 N -1.02 0.59 -0.04 1.34 1.01 0.40 -1.13 120.40 121.55 3dxa s VAL 225 Ca 0.18 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3dxa s VAL 225 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3dxa s VAL 225 CO 0.08 -0.19 1.11 -1.58 0.00 0.00 0.00 175.10 174.51 3dxa s GLN 226 N 1.83 4.42 -0.15 2.72 2.00 0.11 -1.63 119.66 128.96 3dxa s GLN 226 Ca -0.01 1.57 -0.01 0.00 -2.00 0.00 0.00 55.36 54.91 3dxa s GLN 226 Cb -0.17 -3.50 -0.01 0.00 0.80 0.00 0.00 33.01 30.13 3dxa s GLN 226 CO -0.08 -0.31 -0.11 0.12 -0.50 0.00 0.00 175.29 174.41 3dxa s PHE 227 N 1.75 2.85 -0.37 1.67 5.36 0.11 -0.81 117.98 128.54 3dxa s PHE 227 Ca 0.54 -0.70 -0.13 0.00 -0.96 0.00 0.00 56.93 55.67 3dxa s PHE 227 Cb -0.23 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 3dxa s PHE 227 CO 0.23 -0.27 0.26 0.71 -1.46 0.00 0.00 175.22 174.69 3dxa s TYR 228 N 0.56 3.23 0.00 10.12 2.02 -1.07 -1.40 117.35 130.81 3dxa s TYR 228 Ca -0.07 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 3dxa s TYR 228 Cb -0.15 -2.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.89 3dxa s TYR 228 CO 0.03 -0.49 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 3dxa n GLY 229 N 5.11 4.32 3.90 0.71 0.00 -1.26 -4.81 105.19 113.16 3dxa n GLY 229 Ca -0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3dxa n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxa s LEU 230 N 0.00 3.08 0.56 0.99 1.43 -0.35 -4.52 118.68 119.87 3dxa s LEU 230 Ca 0.00 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 3dxa s LEU 230 Cb 0.00 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3dxa s LEU 230 CO 0.00 -1.17 0.95 -0.55 0.23 0.00 0.00 176.35 175.80 3dxa s SER 231 N -4.32 6.29 0.18 2.29 0.15 -1.26 -2.52 113.70 114.51 3dxa s SER 231 Ca 0.56 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.36 3dxa s SER 231 Cb -0.11 -2.41 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 3dxa s SER 231 CO 0.49 -0.74 1.83 -0.33 1.20 0.00 0.00 173.24 175.69 3dxa h GLU 232 N 0.03 0.74 -0.97 5.44 4.39 -1.99 -2.92 114.58 119.31 3dxa h GLU 232 Ca -0.45 -0.05 0.33 0.00 0.34 0.00 0.00 59.36 59.52 3dxa h GLU 232 Cb 1.19 -0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.51 3dxa h GLU 232 CO 0.62 0.51 0.38 -0.97 -1.16 0.00 0.00 179.01 178.38 3dxa h ASN 233 N 0.75 0.13 -4.15 1.42 -0.73 -2.05 -3.45 115.58 107.51 3dxa h ASN 233 Ca 0.20 0.24 -0.52 0.00 1.87 0.00 0.00 56.30 58.09 3dxa h ASN 233 Cb -0.06 0.28 0.11 0.00 0.27 0.00 0.00 38.32 38.92 3dxa h ASN 233 CO -0.04 -0.29 0.41 -1.81 -0.37 0.00 0.00 177.43 175.33 3dxa s ASP 234 N -4.83 5.10 -0.77 1.15 1.01 -1.10 -4.93 116.67 112.29 3dxa s ASP 234 Ca -0.11 2.19 -0.21 0.00 0.71 0.00 0.00 52.55 55.14 3dxa s ASP 234 Cb 0.30 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.76 3dxa s ASP 234 CO 0.78 -1.65 1.01 -0.70 0.21 0.00 0.00 175.17 174.83 3dxa s GLU 235 N -3.71 3.32 0.06 8.23 2.12 -1.26 -4.96 118.70 122.50 3dxa s GLU 235 Ca 0.72 -1.29 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 3dxa s GLU 235 Cb -0.25 -4.54 -0.06 0.00 0.26 0.00 0.00 34.13 29.55 3dxa s GLU 235 CO 0.37 -1.77 0.37 -0.46 -0.54 0.00 0.00 175.26 173.22 3dxa s TRP 236 N 3.34 3.59 0.00 5.30 -0.11 -1.26 -5.01 118.94 124.80 3dxa s TRP 236 Ca 0.26 0.75 0.00 0.00 1.22 0.00 0.00 56.10 58.33 3dxa s TRP 236 Cb -0.12 -2.13 0.00 0.00 -1.50 0.00 0.00 33.47 29.72 3dxa s TRP 236 CO 0.01 0.55 0.00 -2.37 -4.62 0.00 0.00 176.95 170.52 3dxa n THR 237 N 1.02 0.00 -2.33 5.86 5.66 -1.26 -5.12 114.28 118.11 3dxa n THR 237 Ca -0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.63 3dxa n THR 237 Cb 0.52 -0.60 0.01 0.00 -1.55 0.00 0.00 70.33 68.71 3dxa n THR 237 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3dxa s GLN 238 N -1.87 3.35 0.36 1.09 -0.21 -1.26 -4.98 119.66 116.15 3dxa s GLN 238 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.73 3dxa s GLN 238 Cb 0.00 -2.25 0.69 0.00 1.00 0.00 0.00 33.01 32.45 3dxa s GLN 238 CO 0.00 -0.48 1.99 -0.44 -2.12 0.00 0.00 175.29 174.25 3dxa h ASP 239 N -0.08 0.69 -3.58 5.90 3.32 -2.06 -3.43 116.42 117.18 3dxa h ASP 239 Ca -0.46 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.17 3dxa h ASP 239 Cb 1.22 -0.16 0.19 0.00 0.22 0.00 0.00 39.33 40.79 3dxa h ASP 239 CO 0.62 0.48 0.20 0.00 -1.72 0.00 0.00 179.24 178.81 3dxa s ARG 240 N -5.69 -0.95 1.14 3.56 1.70 -1.26 -5.01 118.95 112.43 3dxa s ARG 240 Ca -0.10 -0.21 -0.12 0.00 -0.47 0.00 0.00 55.73 54.83 3dxa s ARG 240 Cb 0.18 -1.64 0.27 0.00 -0.57 0.00 0.00 34.95 33.19 3dxa s ARG 240 CO 0.77 -3.51 1.04 0.00 -1.08 0.00 0.00 175.30 172.52 3dxa s ALA 241 N -3.23 -0.27 0.09 7.88 0.00 -1.26 -5.00 121.76 119.97 3dxa s ALA 241 Ca 0.72 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 3dxa s ALA 241 Cb -0.07 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3dxa s ALA 241 CO 0.55 -3.76 0.61 0.21 0.00 0.00 0.00 175.76 173.37 3dxa s LYS 242 N -4.46 4.26 -1.26 0.00 2.20 -1.26 -5.00 119.74 114.21 3dxa s LYS 242 Ca 0.68 0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 57.03 3dxa s LYS 242 Cb -0.25 -3.22 0.17 0.00 -1.51 0.00 0.00 37.83 33.02 3dxa s LYS 242 CO 0.64 0.62 2.01 -0.35 -0.36 0.00 0.00 175.35 177.91 3dxa n PRO 243 N 1.65 4.15 -3.01 4.03 -0.04 -1.26 -4.99 135.00 135.53 3dxa n PRO 243 Ca -0.09 -3.67 -0.33 0.00 -0.04 0.00 0.00 63.50 59.37 3dxa n PRO 243 Cb 0.50 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 3dxa n PRO 243 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dxa s VAL 244 N -0.75 4.56 -0.67 0.52 1.01 -1.26 -1.21 120.40 122.60 3dxa s VAL 244 Ca 0.44 1.17 -0.34 0.00 0.00 0.00 0.00 61.98 63.24 3dxa s VAL 244 Cb 0.13 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.73 3dxa s VAL 244 CO -0.03 -0.24 2.42 0.41 0.00 0.00 0.00 175.10 177.66 3dxa n THR 245 N -0.48 0.03 -4.40 3.92 -1.04 -1.05 -4.68 114.28 106.58 3dxa n THR 245 Ca 0.05 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 3dxa n THR 245 Cb 0.53 -1.04 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 3dxa n THR 245 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dxa n GLN 246 N 8.26 0.50 -3.88 -2.82 10.64 -0.49 -4.87 117.38 124.72 3dxa n GLN 246 Ca 0.54 -3.31 -0.30 0.00 -1.83 0.00 0.00 57.00 52.10 3dxa n GLN 246 Cb 0.12 2.18 -0.15 0.00 -0.86 0.00 0.00 30.24 31.53 3dxa n GLN 246 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3dxa s ILE 247 N -3.16 1.38 0.14 -0.39 1.01 -1.26 0.08 121.20 118.99 3dxa s ILE 247 Ca 0.28 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 3dxa s ILE 247 Cb 0.01 -1.81 -0.07 0.00 0.01 0.00 0.00 42.46 40.61 3dxa s ILE 247 CO 0.20 -0.31 0.54 -0.69 0.00 0.00 0.00 174.94 174.68 3dxa s VAL 248 N 1.42 4.87 0.05 2.92 1.01 -0.65 -4.92 120.40 125.11 3dxa s VAL 248 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 3dxa s VAL 248 Cb -0.18 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3dxa s VAL 248 CO -0.11 0.27 0.24 -0.44 0.00 0.00 0.00 175.10 175.06 3dxa s SER 249 N -1.68 -0.03 -0.01 3.32 0.01 -1.26 -0.45 113.70 113.59 3dxa s SER 249 Ca 0.37 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.35 3dxa s SER 249 Cb -0.15 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 3dxa s SER 249 CO 0.19 -0.60 -0.14 0.00 0.41 0.00 0.00 173.24 173.10 3dxa s ALA 250 N -2.69 1.19 0.33 1.44 0.00 -0.62 -4.81 121.76 116.60 3dxa s ALA 250 Ca -0.04 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.36 3dxa s ALA 250 Cb -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3dxa s ALA 250 CO -0.04 0.28 0.49 -1.21 0.00 0.00 0.00 175.76 175.27 3dxa s GLU 251 N -0.26 3.27 -0.27 0.00 2.02 -1.26 -1.39 118.70 120.80 3dxa s GLU 251 Ca 0.04 -0.72 -0.25 0.00 0.02 0.00 0.00 54.97 54.07 3dxa s GLU 251 Cb -0.06 -2.77 0.08 0.00 0.10 0.00 0.00 34.13 31.48 3dxa s GLU 251 CO -0.00 0.13 0.77 0.00 0.02 0.00 0.00 175.26 176.18 3dxa s ALA 252 N -2.21 -1.82 0.35 5.21 0.00 0.94 -4.76 121.76 119.47 3dxa s ALA 252 Ca 0.41 2.02 0.08 0.00 0.00 0.00 0.00 51.96 54.47 3dxa s ALA 252 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3dxa s ALA 252 CO 0.33 -0.32 0.18 -1.58 0.00 0.00 0.00 175.76 174.36 3dxa s TRP 253 N 0.40 2.73 0.55 0.00 0.52 -1.26 0.23 118.94 122.11 3dxa s TRP 253 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 56.10 55.52 3dxa s TRP 253 Cb -0.05 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 3dxa s TRP 253 CO -0.01 0.28 1.29 0.20 0.02 0.00 0.00 176.95 178.73 3dxa s GLY 254 N -3.89 2.84 -0.01 0.98 0.00 0.89 -4.92 107.32 103.21 3dxa s GLY 254 Ca 0.39 1.20 0.02 0.00 0.00 0.00 0.00 44.72 46.33 3dxa s GLY 254 CO 0.24 1.68 -0.04 0.50 0.00 0.00 0.00 173.10 175.47 3dxa s ARG 255 N -2.99 2.68 0.38 2.90 1.81 -1.09 -4.45 118.95 118.19 3dxa s ARG 255 Ca 0.72 -0.64 0.28 0.00 -1.72 0.00 0.00 55.73 54.37 3dxa s ARG 255 Cb -0.36 -2.58 1.13 0.00 -0.45 0.00 0.00 34.95 32.68 3dxa s ARG 255 CO 0.42 0.62 1.83 0.00 -0.68 0.00 0.00 175.30 177.49 3dxa h ALA 256 N 4.61 1.00 -0.00 2.13 0.00 -1.85 -3.33 119.26 121.82 3dxa h ALA 256 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dxa h ALA 256 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dxa h ALA 256 CO 0.55 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.55