#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxa n LYS 3 N 0.00 2.86 -2.69 0.00 5.02 -1.26 -4.58 118.16 117.51 3dxa n LYS 3 Ca 0.00 -2.93 -0.05 0.00 -2.02 0.00 0.00 58.31 53.30 3dxa n LYS 3 Cb 0.00 -2.16 0.08 0.00 -0.02 0.00 0.00 35.03 32.93 3dxa n LYS 3 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dxa n THR 4 N -0.66 0.00 -3.09 -0.18 -2.24 -1.23 -4.32 114.28 102.56 3dxa n THR 4 Ca 0.50 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 3dxa n THR 4 Cb 1.52 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 70.87 3dxa n THR 4 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dxa s THR 5 N 0.22 4.96 0.12 4.28 -4.23 -0.73 -4.93 115.64 115.32 3dxa s THR 5 Ca 0.26 1.13 0.08 0.00 -1.18 0.00 0.00 61.69 61.98 3dxa s THR 5 Cb 0.24 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3dxa s THR 5 CO -0.14 -0.01 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.63 3dxa s GLN 6 N 2.56 1.17 -0.02 3.99 -0.21 -1.26 -0.76 119.66 125.14 3dxa s GLN 6 Ca 0.27 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.12 3dxa s GLN 6 Cb -0.15 -1.40 -0.05 0.00 1.00 0.00 0.00 33.01 32.40 3dxa s GLN 6 CO 0.09 0.32 1.45 -2.14 -2.12 0.00 0.00 175.29 172.89 3dxa s PRO 8 N -2.12 4.26 0.57 2.91 0.02 -1.26 -4.87 135.00 134.50 3dxa s PRO 8 Ca 0.09 2.01 0.29 0.00 0.02 0.00 0.00 61.00 63.40 3dxa s PRO 8 Cb -0.09 -3.65 1.47 0.00 0.02 0.00 0.00 34.50 32.25 3dxa s PRO 8 CO 0.05 -0.64 1.91 1.79 -0.33 0.00 0.00 177.00 179.78 3dxa h THR 9 N 5.05 0.45 -1.57 0.99 1.35 -1.99 -3.35 112.91 113.84 3dxa h THR 9 Ca -0.37 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.60 3dxa h THR 9 Cb 1.17 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3dxa h THR 9 CO 0.92 0.00 0.30 -1.54 -0.25 0.00 0.00 175.52 174.95 3dxa n SER 10 N -3.92 -0.45 0.00 5.36 3.41 -1.26 -3.05 113.62 113.71 3dxa n SER 10 Ca 0.11 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3dxa n SER 10 Cb 0.72 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 3dxa n SER 10 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3dxa n MET 11 N -0.31 0.00 -4.23 4.33 0.00 -1.24 -4.88 117.12 110.78 3dxa n MET 11 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.46 3dxa n MET 11 Cb 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.34 3dxa n MET 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3dxa s ASP 12 N 0.00 4.31 0.14 6.12 1.01 -1.26 -2.17 116.67 124.82 3dxa s ASP 12 Ca 0.00 -1.11 -0.25 0.00 0.71 0.00 0.00 52.55 51.90 3dxa s ASP 12 Cb 0.00 -0.48 0.07 0.00 1.01 0.00 0.00 42.92 43.52 3dxa s ASP 12 CO 0.00 -0.49 0.78 0.00 0.21 0.00 0.00 175.17 175.67 3dxa s ALA 14 N -3.51 2.94 -0.18 0.00 0.00 -1.26 -1.85 121.76 117.89 3dxa s ALA 14 Ca 0.06 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3dxa s ALA 14 Cb -0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3dxa s ALA 14 CO -0.05 0.39 1.72 -2.00 0.00 0.00 0.00 175.76 175.82 3dxa s GLU 15 N -0.19 3.78 -0.42 0.00 2.12 -0.85 -3.77 118.70 119.37 3dxa s GLU 15 Ca 0.03 1.83 -0.01 0.00 0.36 0.00 0.00 54.97 57.18 3dxa s GLU 15 Cb -0.13 -4.08 0.20 0.00 0.26 0.00 0.00 34.13 30.38 3dxa s GLU 15 CO 0.03 -1.33 0.94 0.20 -0.54 0.00 0.00 175.26 174.56 3dxa s GLY 16 N 4.66 -1.64 0.00 -1.50 0.00 -1.26 -4.28 107.32 103.31 3dxa s GLY 16 Ca 0.77 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.63 3dxa s GLY 16 CO 0.31 4.03 0.00 -0.96 0.00 0.00 0.00 173.10 176.48 3dxa n ARG 17 N 2.74 0.00 0.00 2.90 1.85 -1.25 -4.19 116.66 118.71 3dxa n ARG 17 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3dxa n ARG 17 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 3dxa n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dxa n ALA 18 N -3.00 0.00 -3.32 2.89 0.00 -1.25 -0.07 120.51 115.77 3dxa n ALA 18 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3dxa n ALA 18 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3dxa n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxa s ALA 19 N -2.62 -1.05 -0.41 0.00 0.00 -0.74 -4.49 121.76 112.45 3dxa s ALA 19 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.79 3dxa s ALA 19 Cb 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 23.12 23.24 3dxa s ALA 19 CO 0.00 -0.27 0.65 0.09 0.00 0.00 0.00 175.76 176.23 3dxa n ASN 20 N 1.60 -0.50 -3.93 0.00 5.03 -1.26 -1.36 115.26 114.84 3dxa n ASN 20 Ca -0.19 -2.90 -0.30 0.00 0.87 0.00 0.00 54.58 52.06 3dxa n ASN 20 Cb 0.56 -0.02 -0.14 0.00 -1.02 0.00 0.00 39.78 39.17 3dxa n ASN 20 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3dxa s LEU 21 N -1.27 4.14 0.83 3.41 1.02 -0.06 -4.95 118.68 121.80 3dxa s LEU 21 Ca 0.34 -2.58 -0.10 0.00 0.02 0.00 0.00 54.13 51.81 3dxa s LEU 21 Cb 0.21 -1.51 0.14 0.00 0.02 0.00 0.00 46.19 45.04 3dxa s LEU 21 CO -0.13 -0.30 1.16 -2.16 0.02 0.00 0.00 176.35 174.94 3dxa s PRO 22 N 0.32 1.41 -0.28 1.29 0.04 -1.26 -2.20 135.00 134.32 3dxa s PRO 22 Ca 0.14 -0.45 -0.19 0.00 0.04 0.00 0.00 61.00 60.54 3dxa s PRO 22 Cb -0.23 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.39 3dxa s PRO 22 CO -0.04 -1.82 0.88 0.00 0.04 0.00 0.00 177.00 176.06 3dxa s ASN 24 N 1.11 4.84 -0.45 0.00 0.01 0.06 -2.54 114.94 117.98 3dxa s ASN 24 Ca -0.06 -1.01 0.04 0.00 -0.71 0.00 0.00 52.86 51.12 3dxa s ASN 24 Cb -0.04 -1.76 0.12 0.00 0.41 0.00 0.00 41.25 39.97 3dxa s ASN 24 CO -0.13 -0.22 0.19 -1.38 -1.51 0.00 0.00 177.10 174.05 3dxa s HIS 25 N 1.35 3.13 -0.11 2.20 -3.43 -1.16 -1.77 115.29 115.50 3dxa s HIS 25 Ca -0.01 -2.96 0.11 0.00 -0.80 0.00 0.00 55.06 51.39 3dxa s HIS 25 Cb -0.18 -2.68 0.18 0.00 -1.43 0.00 0.00 32.58 28.47 3dxa s HIS 25 CO -0.01 -0.81 1.11 -1.13 -2.00 0.00 0.00 174.74 171.90 3dxa n SER 26 N 3.59 2.30 -4.44 7.38 3.41 -1.26 -4.32 113.62 120.28 3dxa n SER 26 Ca 0.05 -2.59 -0.31 0.00 -0.26 0.00 0.00 58.87 55.76 3dxa n SER 26 Cb 0.36 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 3dxa n SER 26 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dxa s THR 27 N -2.03 2.68 -0.30 6.66 -4.23 -1.26 -5.10 115.64 112.06 3dxa s THR 27 Ca 0.19 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 3dxa s THR 27 Cb 0.16 -2.11 0.18 0.00 1.34 0.00 0.00 72.50 72.07 3dxa s THR 27 CO 0.03 0.36 0.91 -0.51 -0.54 0.00 0.00 174.62 174.87 3dxa s ILE 28 N -0.89 -0.56 0.02 2.99 2.07 -1.26 -5.03 121.20 118.54 3dxa s ILE 28 Ca 0.14 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3dxa s ILE 28 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 3dxa s ILE 28 CO 0.04 0.00 0.22 -0.94 -1.91 0.00 0.00 174.94 172.36 3dxa s SER 29 N 2.80 6.41 0.09 4.50 1.04 -1.26 -4.91 113.70 122.37 3dxa s SER 29 Ca 0.04 0.40 0.27 0.00 0.48 0.00 0.00 55.95 57.14 3dxa s SER 29 Cb -0.10 -2.02 0.92 0.00 0.10 0.00 0.00 66.02 64.92 3dxa s SER 29 CO -0.15 0.22 1.77 0.61 0.98 0.00 0.00 173.24 176.67 3dxa n GLY 30 N 0.79 -1.55 0.07 7.32 0.00 -1.26 -0.42 105.19 110.14 3dxa n GLY 30 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3dxa n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dxa n ASN 31 N -1.84 0.14 -4.54 1.61 6.94 -1.26 -4.81 115.26 111.49 3dxa n ASN 31 Ca 0.06 -1.98 -0.34 0.00 -0.02 0.00 0.00 54.58 52.29 3dxa n ASN 31 Cb 0.38 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.62 3dxa n ASN 31 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3dxa s GLU 32 N -1.86 3.78 0.42 -3.83 2.02 0.44 -4.69 118.70 114.98 3dxa s GLU 32 Ca 0.00 -0.46 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 3dxa s GLU 32 Cb 0.00 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 3dxa s GLU 32 CO 0.00 0.23 0.85 0.71 0.02 0.00 0.00 175.26 177.08 3dxa s TYR 33 N 0.42 3.42 -0.25 1.61 1.51 0.16 -4.84 117.35 119.38 3dxa s TYR 33 Ca -0.01 1.29 -0.09 0.00 -1.01 0.00 0.00 57.07 57.25 3dxa s TYR 33 Cb -0.14 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 3dxa s TYR 33 CO 0.02 -0.14 0.13 0.08 -1.11 0.00 0.00 175.55 174.52 3dxa s VAL 39 N -2.34 4.87 0.00 0.71 1.01 -0.69 -1.45 120.40 122.51 3dxa s VAL 39 Ca 0.56 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3dxa s VAL 39 Cb -0.10 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3dxa s VAL 39 CO 0.26 0.32 -0.24 -0.31 0.00 0.00 0.00 175.10 175.12 3dxa s TYR 40 N 1.48 2.16 -0.11 5.22 2.02 0.32 -3.42 117.35 125.02 3dxa s TYR 40 Ca 0.06 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3dxa s TYR 40 Cb -0.15 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 3dxa s TYR 40 CO 0.06 0.02 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.30 3dxa s TRP 41 N -0.65 2.16 0.26 2.71 0.52 -0.11 -1.04 118.94 122.79 3dxa s TRP 41 Ca 0.10 -0.99 0.12 0.00 0.02 0.00 0.00 56.10 55.35 3dxa s TRP 41 Cb -0.09 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.67 3dxa s TRP 41 CO 0.00 -0.47 -0.20 0.71 0.02 0.00 0.00 176.95 177.01 3dxa s TYR 42 N 0.79 2.24 -0.02 -1.98 2.02 -0.31 -1.98 117.35 118.12 3dxa s TYR 42 Ca -0.10 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3dxa s TYR 42 Cb -0.16 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3dxa s TYR 42 CO 0.01 0.66 -0.07 0.50 -1.57 0.00 0.00 175.55 175.07 3dxa s ARG 43 N -3.38 0.77 -0.28 -0.62 3.52 -0.62 -0.44 118.95 117.89 3dxa s ARG 43 Ca 0.28 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 3dxa s ARG 43 Cb -0.05 -0.74 0.08 0.00 -1.56 0.00 0.00 34.95 32.68 3dxa s ARG 43 CO 0.14 0.09 -0.00 -1.14 -0.81 0.00 0.00 175.30 173.57 3dxa s GLN 44 N 0.18 1.51 -1.26 5.12 0.74 1.00 -1.47 119.66 125.47 3dxa s GLN 44 Ca -0.02 -1.34 -0.18 0.00 0.05 0.00 0.00 55.36 53.87 3dxa s GLN 44 Cb -0.07 -2.73 0.08 0.00 1.10 0.00 0.00 33.01 31.39 3dxa s GLN 44 CO 0.00 -0.77 1.67 0.42 -0.55 0.00 0.00 175.29 176.06 3dxa s ILE 45 N 1.23 4.22 0.00 -2.34 1.01 -1.26 -2.17 121.20 121.89 3dxa s ILE 45 Ca 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 58.77 3dxa s ILE 45 Cb -0.19 -5.15 0.00 0.00 0.01 0.00 0.00 42.46 37.13 3dxa s ILE 45 CO -0.10 -1.97 0.00 1.57 0.00 0.00 0.00 174.94 174.44 3dxa n HIS 46 N 8.10 0.00 -0.00 3.97 -0.00 -1.26 -2.83 115.22 123.19 3dxa n HIS 46 Ca 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.05 3dxa n HIS 46 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.44 3dxa n HIS 46 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3dxa h SER 47 N 0.00 0.74 0.00 0.26 0.87 -2.00 -3.40 113.55 110.02 3dxa h SER 47 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3dxa h SER 47 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3dxa h SER 47 CO 0.00 1.22 0.00 0.00 -0.53 0.00 0.00 176.83 177.52 3dxa n GLN 48 N -3.92 2.75 0.00 2.24 3.00 -1.13 -5.13 117.38 115.19 3dxa n GLN 48 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3dxa n GLN 48 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.93 3dxa n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dxa n GLY 49 N 5.00 1.65 3.68 1.08 0.00 -1.26 -4.76 105.19 110.58 3dxa n GLY 49 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 3dxa n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxa n PRO 50 N 0.00 1.02 -3.14 1.61 -0.02 -1.26 -4.89 135.00 128.32 3dxa n PRO 50 Ca 0.00 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 3dxa n PRO 50 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3dxa n PRO 50 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3dxa s GLN 51 N -3.11 2.78 0.54 -0.52 -2.07 -0.54 -4.98 119.66 111.75 3dxa s GLN 51 Ca 0.80 -1.29 -0.17 0.00 -1.82 0.00 0.00 55.36 52.87 3dxa s GLN 51 Cb -0.39 -2.68 -0.06 0.00 -1.09 0.00 0.00 33.01 28.78 3dxa s GLN 51 CO 0.43 -0.24 1.03 -0.47 -1.32 0.00 0.00 175.29 174.72 3dxa s TYR 52 N -2.37 3.11 0.10 9.60 5.04 -1.26 -1.58 117.35 129.98 3dxa s TYR 52 Ca 0.53 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 3dxa s TYR 52 Cb -0.09 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.26 3dxa s TYR 52 CO 0.32 -0.83 0.00 -0.89 -1.34 0.00 0.00 175.55 172.80 3dxa n ILE 53 N -1.60 0.97 -3.63 3.14 5.41 -0.84 -4.80 119.36 118.01 3dxa n ILE 53 Ca 0.08 0.32 -0.12 0.00 1.00 0.00 0.00 62.75 64.03 3dxa n ILE 53 Cb 0.53 -1.42 -0.07 0.00 -0.71 0.00 0.00 39.64 37.97 3dxa n ILE 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3dxa s ILE 54 N -1.84 0.00 0.47 1.39 2.07 -1.20 -4.83 121.20 117.27 3dxa s ILE 54 Ca 0.00 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.32 3dxa s ILE 54 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 3dxa s ILE 54 CO 0.00 0.00 0.56 -1.38 -1.91 0.00 0.00 174.94 172.21 3dxa s HIS 55 N 0.33 2.27 0.00 3.50 -3.43 -1.26 -0.94 115.29 115.76 3dxa s HIS 55 Ca 0.01 -0.56 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 3dxa s HIS 55 Cb -0.05 -2.23 0.00 0.00 -1.43 0.00 0.00 32.58 28.87 3dxa s HIS 55 CO -0.01 -0.55 0.00 0.41 -2.00 0.00 0.00 174.74 172.59 3dxa n GLY 56 N -1.87 3.91 1.29 -1.38 0.00 -1.22 -4.84 105.19 101.08 3dxa n GLY 56 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3dxa n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxa n LEU 57 N 0.00 0.45 -2.60 0.99 0.00 -1.26 -1.71 117.00 112.87 3dxa n LEU 57 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 56.01 56.01 3dxa n LEU 57 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 43.42 43.36 3dxa n LEU 57 CO 0.00 -0.66 -0.01 0.29 0.00 0.00 0.00 177.39 177.01 3dxa n LYS 58 N -3.08 1.94 0.00 1.96 4.76 -1.26 -4.51 118.16 117.97 3dxa n LYS 58 Ca 0.00 -3.67 0.00 0.00 -2.87 0.00 0.00 58.31 51.77 3dxa n LYS 58 Cb 0.00 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 3dxa n LYS 58 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dxa n ASN 59 N -0.25 0.00 0.00 4.39 5.15 -1.26 -4.74 115.26 118.56 3dxa n ASN 59 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 3dxa n ASN 59 Cb 0.78 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 3dxa n ASN 59 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dxa n ASN 66 N 0.00 0.00 -4.53 1.20 4.05 -1.25 -3.29 115.26 111.44 3dxa n ASN 66 Ca 0.00 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.76 3dxa n ASN 66 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 3dxa n ASN 66 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dxa s GLU 67 N -0.74 1.94 -0.30 1.20 2.02 0.49 -4.60 118.70 118.71 3dxa s GLU 67 Ca 0.00 -2.15 -0.17 0.00 0.02 0.00 0.00 54.97 52.67 3dxa s GLU 67 Cb 0.00 -1.25 0.17 0.00 0.10 0.00 0.00 34.13 33.15 3dxa s GLU 67 CO 0.00 -0.23 1.19 0.99 0.02 0.00 0.00 175.26 177.23 3dxa s THR 68 N -2.98 -0.09 0.00 3.63 2.01 -1.26 0.43 115.64 117.37 3dxa s THR 68 Ca 0.26 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3dxa s THR 68 Cb 0.06 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3dxa s THR 68 CO 0.13 0.00 0.00 -0.46 -0.69 0.00 0.00 174.62 173.60 3dxa n ASN 69 N 5.39 0.29 -0.07 3.53 0.23 0.37 -4.98 115.26 120.02 3dxa n ASN 69 Ca -0.05 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.87 3dxa n ASN 69 Cb 0.55 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.19 3dxa n ASN 69 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dxa h GLU 70 N 0.00 0.49 -0.20 -3.83 3.07 -2.02 -3.30 114.58 108.79 3dxa h GLU 70 Ca 0.00 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.47 3dxa h GLU 70 Cb 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3dxa h GLU 70 CO 0.00 0.86 -0.40 0.52 -1.40 0.00 0.00 179.01 178.59 3dxa h MET 78 N 0.15 0.45 -1.26 2.33 2.86 -1.98 -3.48 114.93 114.00 3dxa h MET 78 Ca 0.03 -0.22 0.15 0.00 -2.06 0.00 0.00 59.70 57.59 3dxa h MET 78 Cb 0.78 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.18 3dxa h MET 78 CO 0.05 0.78 0.37 0.00 1.06 0.00 0.00 176.91 179.17 3dxa s ALA 79 N -4.22 -2.50 0.31 6.32 0.00 -1.24 -4.58 121.76 115.85 3dxa s ALA 79 Ca -0.06 2.12 0.02 0.00 0.00 0.00 0.00 51.96 54.03 3dxa s ALA 79 Cb 0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3dxa s ALA 79 CO 0.81 -0.58 0.48 -1.12 0.00 0.00 0.00 175.76 175.35 3dxa s SER 80 N 1.73 6.31 -0.10 0.00 0.01 -0.95 -0.48 113.70 120.21 3dxa s SER 80 Ca -0.06 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 3dxa s SER 80 Cb -0.04 -1.98 0.05 0.00 0.21 0.00 0.00 66.02 64.25 3dxa s SER 80 CO -0.15 -0.21 0.10 -0.22 0.41 0.00 0.00 173.24 173.16 3dxa s LEU 81 N -4.16 0.16 -0.26 2.44 0.20 0.17 -1.95 118.68 115.28 3dxa s LEU 81 Ca 0.38 -0.15 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 3dxa s LEU 81 Cb -0.09 -0.08 0.00 0.00 -0.43 0.00 0.00 46.19 45.59 3dxa s LEU 81 CO 0.34 -0.29 0.02 -0.63 -0.29 0.00 0.00 176.35 175.50 3dxa s ILE 82 N 2.19 3.65 0.08 6.68 1.01 -0.84 -0.38 121.20 133.59 3dxa s ILE 82 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3dxa s ILE 82 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3dxa s ILE 82 CO -0.06 0.22 0.23 -0.63 0.00 0.00 0.00 174.94 174.70 3dxa s ILE 83 N 1.48 5.37 0.00 2.92 1.01 -1.21 -1.37 121.20 129.40 3dxa s ILE 83 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3dxa s ILE 83 Cb -0.16 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3dxa s ILE 83 CO -0.00 0.08 1.00 0.35 0.00 0.00 0.00 174.94 176.38 3dxa n THR 84 N 0.09 1.00 0.00 2.92 -2.24 -1.26 -4.70 114.28 110.10 3dxa n THR 84 Ca -0.05 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3dxa n THR 84 Cb 0.52 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3dxa n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dxa n GLU 84 N 1.11 0.00 0.00 -0.78 1.02 -1.26 -4.12 120.64 116.61 3dxa n GLU 84 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 3dxa n GLU 84 Cb 0.34 -1.12 0.10 0.00 -0.02 0.00 0.00 31.44 30.75 3dxa n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dxa n ASP 84 N -0.49 0.00 0.00 1.62 8.00 -1.26 -4.85 116.55 119.56 3dxa n ASP 84 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3dxa n ASP 84 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3dxa n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxa n ARG 84 N -0.94 0.00 0.00 -1.24 1.74 -1.26 -4.95 116.66 110.01 3dxa n ARG 84 Ca 0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3dxa n ARG 84 Cb 0.01 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3dxa n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dxa n LYS 85 N -1.87 0.00 -2.85 5.56 4.76 -1.26 -4.72 118.16 117.79 3dxa n LYS 85 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3dxa n LYS 85 Cb 0.05 -0.66 0.01 0.00 -1.84 0.00 0.00 35.03 32.59 3dxa n LYS 85 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3dxa s SER 86 N -4.14 -0.73 0.58 4.39 1.04 -1.26 -2.98 113.70 110.61 3dxa s SER 86 Ca 0.00 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 55.80 3dxa s SER 86 Cb 0.00 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 67.02 3dxa s SER 86 CO 0.00 -0.06 0.97 -0.94 0.98 0.00 0.00 173.24 174.18 3dxa s SER 87 N 1.59 6.23 -0.06 7.02 1.04 -1.05 -4.37 113.70 124.09 3dxa s SER 87 Ca 0.19 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 3dxa s SER 87 Cb 0.03 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.78 3dxa s SER 87 CO -0.11 -0.80 0.01 -0.89 0.98 0.00 0.00 173.24 172.43 3dxa s THR 88 N -3.07 0.30 -0.16 2.02 2.01 -0.47 -2.13 115.64 114.14 3dxa s THR 88 Ca 0.53 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.39 3dxa s THR 88 Cb -0.11 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 3dxa s THR 88 CO 0.52 0.24 1.05 -0.22 -0.69 0.00 0.00 174.62 175.51 3dxa s LEU 89 N 1.89 4.18 -0.06 4.42 2.96 -0.93 -1.99 118.68 129.15 3dxa s LEU 89 Ca 0.03 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.16 3dxa s LEU 89 Cb -0.12 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3dxa s LEU 89 CO -0.04 -0.57 0.93 -0.63 -1.32 0.00 0.00 176.35 174.72 3dxa s ILE 90 N 2.60 4.87 -0.33 6.68 1.01 -0.82 -0.88 121.20 134.32 3dxa s ILE 90 Ca 0.47 1.91 -0.03 0.00 0.00 0.00 0.00 60.65 63.01 3dxa s ILE 90 Cb -0.18 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.10 3dxa s ILE 90 CO 0.13 0.11 0.07 -0.76 0.00 0.00 0.00 174.94 174.49 3dxa s LEU 91 N 1.45 4.32 -0.18 2.97 1.43 -0.47 -2.23 118.68 125.97 3dxa s LEU 91 Ca 0.47 -1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 51.94 3dxa s LEU 91 Cb -0.19 -1.77 -0.16 0.00 0.03 0.00 0.00 46.19 44.10 3dxa s LEU 91 CO 0.21 -0.34 0.19 1.55 0.23 0.00 0.00 176.35 178.19 3dxa h PRO 92 N 8.05 0.00 -4.37 1.29 0.14 -1.81 -1.97 132.00 133.34 3dxa h PRO 92 Ca -0.19 0.00 -0.72 0.00 0.14 0.00 0.00 66.00 65.23 3dxa h PRO 92 Cb 1.06 0.00 -0.30 0.00 0.14 0.00 0.00 31.00 31.90 3dxa h PRO 92 CO 0.59 0.76 -0.44 -1.01 0.14 0.00 0.00 178.00 178.04 3dxa s HIS 93 N -2.29 3.42 0.29 1.56 3.76 -1.26 -4.28 115.29 116.50 3dxa s HIS 93 Ca -0.24 -1.86 -0.29 0.00 -0.15 0.00 0.00 55.06 52.52 3dxa s HIS 93 Cb 0.04 -3.29 -0.10 0.00 1.11 0.00 0.00 32.58 30.34 3dxa s HIS 93 CO 0.50 -0.95 1.17 0.00 -0.85 0.00 0.00 174.74 174.62 3dxa s ALA 94 N 1.34 3.44 0.32 -1.40 0.00 0.90 -4.99 121.76 121.38 3dxa s ALA 94 Ca 0.05 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3dxa s ALA 94 Cb -0.25 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3dxa s ALA 94 CO -0.01 -0.33 0.13 0.95 0.00 0.00 0.00 175.76 176.51 3dxa s THR 95 N -1.11 0.51 0.21 0.00 -4.23 -1.26 -4.04 115.64 105.72 3dxa s THR 95 Ca 0.46 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.87 3dxa s THR 95 Cb -0.35 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.11 3dxa s THR 95 CO 0.45 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.31 3dxa h LEU 96 N 2.14 0.91 -1.77 4.79 -0.00 -1.97 -2.00 115.31 117.42 3dxa h LEU 96 Ca -0.35 -0.07 0.15 0.00 -0.00 0.00 0.00 57.88 57.60 3dxa h LEU 96 Cb 1.25 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 41.65 3dxa h LEU 96 CO 0.56 0.71 0.44 0.03 -0.00 0.00 0.00 178.44 180.18 3dxa h ARG 97 N 1.03 0.22 0.00 1.13 3.08 -1.97 -1.35 114.38 116.53 3dxa h ARG 97 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3dxa h ARG 97 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3dxa h ARG 97 CO -0.05 0.15 0.00 -0.25 -1.07 0.00 0.00 179.97 178.75 3dxa n ASP 98 N -4.43 0.61 -4.64 7.04 9.92 -0.75 -4.75 116.55 119.54 3dxa n ASP 98 Ca 0.12 0.63 -0.42 0.00 -0.53 0.00 0.00 54.79 54.59 3dxa n ASP 98 Cb 0.55 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 3dxa n ASP 98 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dxa s THR 99 N -3.25 3.28 0.14 -3.53 -4.23 -0.51 -4.88 115.64 102.66 3dxa s THR 99 Ca 0.06 0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 60.65 3dxa s THR 99 Cb 0.10 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 70.76 3dxa s THR 99 CO 0.41 -0.08 1.08 0.00 -0.54 0.00 0.00 174.62 175.49 3dxa s ALA 100 N 5.24 -1.77 -0.15 3.99 0.00 -1.11 -4.74 121.76 123.22 3dxa s ALA 100 Ca 0.84 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 3dxa s ALA 100 Cb -0.35 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3dxa s ALA 100 CO 0.35 -1.07 0.58 0.08 0.00 0.00 0.00 175.76 175.70 3dxa s VAL 101 N -2.35 5.09 -0.08 0.00 1.01 -0.92 -1.67 120.40 121.47 3dxa s VAL 101 Ca 0.21 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.32 3dxa s VAL 101 Cb -0.02 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3dxa s VAL 101 CO 0.03 0.20 -0.09 -0.31 0.00 0.00 0.00 175.10 174.94 3dxa s TYR 102 N 1.32 2.89 -0.12 5.22 1.51 0.11 -0.00 117.35 128.27 3dxa s TYR 102 Ca 0.29 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.24 3dxa s TYR 102 Cb -0.16 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3dxa s TYR 102 CO 0.12 0.19 -0.21 0.71 -1.11 0.00 0.00 175.55 175.24 3dxa s TYR 103 N -0.49 2.65 -0.38 2.71 2.02 0.41 -1.34 117.35 122.93 3dxa s TYR 103 Ca 0.07 -1.12 -0.08 0.00 -0.37 0.00 0.00 57.07 55.57 3dxa s TYR 103 Cb -0.12 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 3dxa s TYR 103 CO 0.02 -0.48 0.18 0.00 -1.57 0.00 0.00 175.55 173.70 3dxa s ILE 105 N 1.41 1.28 -0.20 0.00 -4.36 -0.21 -4.78 121.20 114.35 3dxa s ILE 105 Ca 0.01 -1.08 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 3dxa s ILE 105 Cb -0.21 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 3dxa s ILE 105 CO 0.03 0.05 0.12 0.68 0.24 0.00 0.00 174.94 176.06 3dxa s VAL 106 N -0.85 5.35 -0.11 8.37 -7.23 -1.26 -0.52 120.40 124.14 3dxa s VAL 106 Ca 0.03 0.17 0.03 0.00 -1.81 0.00 0.00 61.98 60.40 3dxa s VAL 106 Cb -0.08 -3.44 0.01 0.00 0.56 0.00 0.00 36.38 33.43 3dxa s VAL 106 CO 0.01 0.45 -0.21 0.86 -0.31 0.00 0.00 175.10 175.90 3dxa s TRP 107 N 0.33 2.40 -0.76 2.82 -0.00 -0.53 -4.83 118.94 118.37 3dxa s TRP 107 Ca 0.08 -1.09 0.17 0.00 -0.00 0.00 0.00 56.10 55.25 3dxa s TRP 107 Cb -0.11 -1.64 0.70 0.00 -0.00 0.00 0.00 33.47 32.41 3dxa s TRP 107 CO -0.02 -0.48 1.61 0.41 -0.00 0.00 0.00 176.95 178.47 3dxa n GLY 108 N 3.85 3.00 0.00 5.86 0.00 -1.26 0.40 105.19 117.05 3dxa n GLY 108 Ca -0.20 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3dxa n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxa n GLY 109 N 0.73 -1.33 4.75 -0.02 0.00 -1.26 -4.83 105.19 103.23 3dxa n GLY 109 Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3dxa n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dxa n TYR 110 N -0.55 0.00 -0.80 1.61 0.18 -1.26 -4.86 117.16 111.49 3dxa n TYR 110 Ca 0.00 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 3dxa n TYR 110 Cb 0.00 0.00 0.24 0.00 -0.38 0.00 0.00 39.34 39.20 3dxa n TYR 110 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3dxa s GLN 111 N 0.00 -1.27 0.52 -3.48 -1.52 -1.26 -5.03 119.66 107.61 3dxa s GLN 111 Ca 0.00 0.31 -0.16 0.00 -1.95 0.00 0.00 55.36 53.55 3dxa s GLN 111 Cb 0.00 -1.56 -0.08 0.00 -0.22 0.00 0.00 33.01 31.16 3dxa s GLN 111 CO 0.00 -3.82 0.98 -1.59 -0.25 0.00 0.00 175.29 170.61 3dxa s LYS 112 N -5.00 3.93 0.04 2.91 -2.85 -1.26 -4.99 119.74 112.53 3dxa s LYS 112 Ca 0.69 0.94 -0.18 0.00 -1.00 0.00 0.00 55.97 56.42 3dxa s LYS 112 Cb -0.16 -2.14 -0.06 0.00 -2.06 0.00 0.00 37.83 33.41 3dxa s LYS 112 CO 0.59 -0.28 0.51 0.14 0.10 0.00 0.00 175.35 176.41 3dxa s VAL 113 N -2.64 4.85 -0.70 1.79 -7.23 -1.26 -4.99 120.40 110.23 3dxa s VAL 113 Ca 0.59 1.07 0.05 0.00 -1.81 0.00 0.00 61.98 61.88 3dxa s VAL 113 Cb -0.10 -3.83 0.17 0.00 0.56 0.00 0.00 36.38 33.18 3dxa s VAL 113 CO 0.32 0.56 0.49 -0.89 -0.31 0.00 0.00 175.10 175.28 3dxa s THR 114 N -1.09 2.81 0.11 5.32 2.01 -1.26 -5.08 115.64 118.46 3dxa s THR 114 Ca 0.27 -4.24 -0.34 0.00 0.31 0.00 0.00 61.69 57.69 3dxa s THR 114 Cb -0.18 -2.85 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 3dxa s THR 114 CO 0.17 -1.02 1.61 0.49 -0.69 0.00 0.00 174.62 175.19 3dxa n PHE 115 N 1.99 2.22 -0.15 4.92 3.01 -1.26 -4.87 117.46 123.32 3dxa n PHE 115 Ca 0.20 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.91 3dxa n PHE 115 Cb 0.35 -2.55 0.00 0.00 -0.01 0.00 0.00 39.48 37.28 3dxa n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dxa n GLY 116 N 3.53 1.43 0.13 1.37 0.00 -1.26 -5.04 105.19 105.34 3dxa n GLY 116 Ca 0.18 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 3dxa n GLY 116 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dxa n THR 117 N 0.00 1.55 0.00 2.61 -1.04 -1.26 -5.00 114.28 111.14 3dxa n THR 117 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3dxa n THR 117 Cb 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 3dxa n THR 117 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dxa n GLY 118 N 1.59 1.69 3.50 3.41 0.00 -1.26 -5.03 105.19 109.09 3dxa n GLY 118 Ca -0.45 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 3dxa n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dxa s THR 119 N 1.32 4.45 -0.43 2.61 2.01 -0.45 -4.03 115.64 121.13 3dxa s THR 119 Ca 0.00 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 3dxa s THR 119 Cb 0.00 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.48 3dxa s THR 119 CO 0.00 0.37 0.37 -0.54 -0.69 0.00 0.00 174.62 174.13 3dxa s LYS 120 N 1.28 3.02 -0.20 4.92 3.01 -1.17 0.03 119.74 130.63 3dxa s LYS 120 Ca 0.05 -0.98 -0.16 0.00 -1.01 0.00 0.00 55.97 53.87 3dxa s LYS 120 Cb -0.15 -4.00 -0.04 0.00 -1.01 0.00 0.00 37.83 32.63 3dxa s LYS 120 CO 0.04 -0.84 0.40 -1.17 0.51 0.00 0.00 175.35 174.29 3dxa s LEU 121 N 1.86 4.16 -0.15 3.17 2.96 -0.67 -3.72 118.68 126.28 3dxa s LEU 121 Ca 0.08 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3dxa s LEU 121 Cb -0.19 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 3dxa s LEU 121 CO 0.11 -0.08 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.94 3dxa s GLN 122 N 1.32 3.67 -0.21 1.98 -1.52 -0.92 -2.75 119.66 121.23 3dxa s GLN 122 Ca 0.19 -0.47 -0.01 0.00 -1.95 0.00 0.00 55.36 53.13 3dxa s GLN 122 Cb -0.15 -2.96 0.02 0.00 -0.22 0.00 0.00 33.01 29.69 3dxa s GLN 122 CO 0.08 0.30 -0.13 0.08 -0.25 0.00 0.00 175.29 175.37 3dxa s VAL 123 N 0.23 2.53 -0.03 1.09 1.01 -1.26 -0.31 120.40 123.66 3dxa s VAL 123 Ca -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3dxa s VAL 123 Cb -0.13 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3dxa s VAL 123 CO 0.02 0.42 -0.24 -0.63 0.00 0.00 0.00 175.10 174.67 3dxa s ILE 124 N 1.33 2.20 0.65 2.22 -1.09 -0.77 -4.74 121.20 121.00 3dxa s ILE 124 Ca 0.04 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.30 3dxa s ILE 124 Cb -0.14 -1.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.94 3dxa s ILE 124 CO -0.09 0.58 1.04 -2.16 -1.23 0.00 0.00 174.94 173.09 3dxa s PRO 125 N -0.54 3.34 1.01 2.79 0.04 -1.26 -2.01 135.00 138.37 3dxa s PRO 125 Ca 0.08 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 3dxa s PRO 125 Cb -0.11 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3dxa s PRO 125 CO 0.00 -0.77 -0.52 -0.89 0.04 0.00 0.00 177.00 174.86 3dxa n ILE 126 N -2.88 0.00 -4.39 0.56 -0.00 -1.26 -4.63 119.36 106.75 3dxa n ILE 126 Ca 0.06 -0.27 -0.22 0.00 -0.00 0.00 0.00 62.75 62.33 3dxa n ILE 126 Cb 0.54 -0.27 -0.08 0.00 -0.00 0.00 0.00 39.64 39.83 3dxa n ILE 126 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3dxa s GLN 127 N -2.68 1.78 -0.29 0.38 -1.52 -1.26 -4.94 119.66 111.12 3dxa s GLN 127 Ca 0.46 -2.05 0.00 0.00 -1.95 0.00 0.00 55.36 51.83 3dxa s GLN 127 Cb -0.11 -0.18 0.09 0.00 -0.22 0.00 0.00 33.01 32.59 3dxa s GLN 127 CO 0.72 -0.52 0.05 1.21 -0.25 0.00 0.00 175.29 176.50 3dxa s ASN 128 N -3.47 4.04 0.63 5.90 2.47 -1.26 -5.15 114.94 118.10 3dxa s ASN 128 Ca 0.32 -1.57 -0.08 0.00 0.42 0.00 0.00 52.86 51.95 3dxa s ASN 128 Cb 0.03 -1.07 0.01 0.00 -1.45 0.00 0.00 41.25 38.77 3dxa s ASN 128 CO 0.19 -0.36 0.98 -2.16 -3.72 0.00 0.00 177.10 172.03 3dxa s PRO 129 N 1.44 2.97 -0.40 0.43 0.04 -1.26 -5.05 135.00 133.17 3dxa s PRO 129 Ca 0.05 0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.37 3dxa s PRO 129 Cb -0.18 -2.17 0.30 0.00 0.04 0.00 0.00 34.50 32.49 3dxa s PRO 129 CO -0.16 -0.79 1.19 -3.47 0.04 0.00 0.00 177.00 173.81 3dxa n ASP 130 N -2.74 -1.91 -4.70 6.66 2.03 0.23 -5.05 116.55 111.07 3dxa n ASP 130 Ca 0.05 -2.71 -0.43 0.00 0.52 0.00 0.00 54.79 52.22 3dxa n ASP 130 Cb 0.57 1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 42.41 3dxa n ASP 130 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3dxa n PRO 131 N 0.83 2.21 -3.52 -0.67 -0.04 -1.01 -4.59 135.00 128.22 3dxa n PRO 131 Ca 0.02 0.78 -0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3dxa n PRO 131 Cb 0.71 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 3dxa n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxa s ALA 132 N -0.45 -1.81 -0.33 0.55 0.00 -1.02 -1.66 121.76 117.03 3dxa s ALA 132 Ca 0.62 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3dxa s ALA 132 Cb -0.59 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 22.61 3dxa s ALA 132 CO 0.54 -0.46 0.12 0.08 0.00 0.00 0.00 175.76 176.05 3dxa s VAL 133 N -1.83 1.04 0.25 0.00 1.01 -0.99 -1.33 120.40 118.55 3dxa s VAL 133 Ca -0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 3dxa s VAL 133 Cb -0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3dxa s VAL 133 CO 0.01 -0.71 0.46 -0.31 0.00 0.00 0.00 175.10 174.55 3dxa s TYR 134 N 1.35 3.48 -0.13 5.22 2.02 -1.07 -4.56 117.35 123.66 3dxa s TYR 134 Ca 0.11 0.43 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 3dxa s TYR 134 Cb -0.19 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 3dxa s TYR 134 CO -0.19 0.28 -0.16 -1.14 -1.57 0.00 0.00 175.55 172.77 3dxa s GLN 135 N -3.55 3.26 0.00 -0.62 0.74 -1.26 -1.47 119.66 116.76 3dxa s GLN 135 Ca 0.40 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 55.07 3dxa s GLN 135 Cb -0.11 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.45 3dxa s GLN 135 CO 0.30 0.15 0.00 1.28 -0.55 0.00 0.00 175.29 176.48 3dxa n LEU 136 N 3.67 0.00 0.00 3.68 4.77 -1.24 -4.95 117.00 122.93 3dxa n LEU 136 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3dxa n LEU 136 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3dxa n LEU 136 CO 0.29 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.21 3dxa n ARG 137 N 0.00 0.00 0.00 3.23 0.63 -1.26 -5.04 116.66 114.22 3dxa n ARG 137 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dxa n ARG 137 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3dxa n ARG 137 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3dxa n ASP 138 N -1.33 0.00 0.13 6.15 -0.08 -1.26 -4.07 116.55 116.09 3dxa n ASP 138 Ca 0.00 0.50 -0.22 0.00 -1.51 0.00 0.00 54.79 53.56 3dxa n ASP 138 Cb 0.00 -0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 3dxa n ASP 138 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3dxa h SER 139 N 0.00 0.77 -0.61 1.67 0.87 -1.99 -3.47 113.55 110.80 3dxa h SER 139 Ca 0.00 -0.79 -0.21 0.00 -1.23 0.00 0.00 61.79 59.55 3dxa h SER 139 Cb 0.00 -0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 61.59 3dxa h SER 139 CO 0.00 1.61 0.20 2.29 -0.53 0.00 0.00 176.83 180.41 3dxa n LYS 140 N -3.70 2.99 -0.09 2.24 2.85 -1.26 -4.85 118.16 116.34 3dxa n LYS 140 Ca -0.14 -3.06 -0.10 0.00 -1.05 0.00 0.00 58.31 53.95 3dxa n LYS 140 Cb 1.06 -2.06 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 3dxa n LYS 140 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3dxa n SER 141 N -0.56 1.93 -0.10 -5.58 3.41 -1.26 -4.86 113.62 106.60 3dxa n SER 141 Ca 0.38 0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 59.32 3dxa n SER 141 Cb 1.27 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3dxa n SER 141 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dxa n SER 142 N -4.45 -0.24 -1.13 4.04 7.64 -1.26 -4.93 113.62 113.28 3dxa n SER 142 Ca -0.17 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.35 3dxa n SER 142 Cb 0.54 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 3dxa n SER 142 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3dxa n ASP 143 N -3.52 1.72 0.17 6.43 5.75 -1.26 -5.16 116.55 120.67 3dxa n ASP 143 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 3dxa n ASP 143 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3dxa n ASP 143 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3dxa n LYS 144 N -0.08 0.00 -2.46 0.11 4.81 -1.26 -4.78 118.16 114.50 3dxa n LYS 144 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 3dxa n LYS 144 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 3dxa n LYS 144 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3dxa s SER 145 N -4.49 7.17 -0.21 3.14 1.04 -1.26 -4.14 113.70 114.95 3dxa s SER 145 Ca 0.00 2.10 -0.04 0.00 0.48 0.00 0.00 55.95 58.49 3dxa s SER 145 Cb 0.00 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.60 3dxa s SER 145 CO 0.00 -0.32 0.12 -0.69 0.98 0.00 0.00 173.24 173.33 3dxa s VAL 146 N 0.14 -0.11 0.24 5.02 1.01 -1.26 -4.08 120.40 121.37 3dxa s VAL 146 Ca 0.52 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3dxa s VAL 146 Cb -0.30 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 3dxa s VAL 146 CO 0.34 -0.42 0.87 0.00 0.00 0.00 0.00 175.10 175.89 3dxa s LEU 148 N -1.53 3.72 -0.09 0.00 2.96 -0.54 -1.46 118.68 121.73 3dxa s LEU 148 Ca 0.43 -2.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.35 3dxa s LEU 148 Cb -0.22 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3dxa s LEU 148 CO 0.27 -0.27 1.39 0.12 -1.32 0.00 0.00 176.35 176.53 3dxa s PHE 149 N 0.19 2.65 0.29 5.38 5.36 -0.83 -2.61 117.98 128.41 3dxa s PHE 149 Ca 0.16 0.78 -0.12 0.00 -0.96 0.00 0.00 56.93 56.79 3dxa s PHE 149 Cb -0.24 -3.64 0.01 0.00 -0.34 0.00 0.00 43.02 38.81 3dxa s PHE 149 CO -0.02 -2.38 0.54 -0.08 -1.46 0.00 0.00 175.22 171.82 3dxa s THR 150 N 3.30 0.00 -1.46 0.12 -1.32 -0.44 -0.73 115.64 115.10 3dxa s THR 150 Ca 0.61 -1.36 -0.04 0.00 -1.21 0.00 0.00 61.69 59.69 3dxa s THR 150 Cb -0.27 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 3dxa s THR 150 CO 0.22 0.00 0.58 0.47 -2.21 0.00 0.00 174.62 173.68 3dxa n ASP 151 N -0.75 -5.88 -4.82 8.08 9.92 -0.78 -2.44 116.55 119.88 3dxa n ASP 151 Ca -0.02 -0.27 -0.24 0.00 -0.53 0.00 0.00 54.79 53.72 3dxa n ASP 151 Cb 0.61 -4.70 -0.05 0.00 -0.64 0.00 0.00 41.12 36.35 3dxa n ASP 151 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3dxa s PHE 152 N -3.15 3.16 0.63 1.24 -0.71 -1.25 -0.60 117.98 117.30 3dxa s PHE 152 Ca 0.29 -0.05 -0.15 0.00 -1.04 0.00 0.00 56.93 55.99 3dxa s PHE 152 Cb -0.13 -1.48 -0.02 0.00 -1.21 0.00 0.00 43.02 40.19 3dxa s PHE 152 CO 0.36 0.52 1.08 0.16 -1.34 0.00 0.00 175.22 175.99 3dxa s ASP 153 N -3.41 5.48 0.00 1.98 -4.77 -1.26 -4.35 116.67 110.33 3dxa s ASP 153 Ca 0.32 1.86 0.17 0.00 -3.30 0.00 0.00 52.55 51.60 3dxa s ASP 153 Cb -0.09 -2.53 1.04 0.00 -1.09 0.00 0.00 42.92 40.24 3dxa s ASP 153 CO 0.24 -1.37 1.52 -1.20 0.70 0.00 0.00 175.17 175.06 3dxa n SER 154 N -2.32 0.00 -0.51 2.11 7.64 -1.26 -1.63 113.62 117.65 3dxa n SER 154 Ca 0.09 -1.00 0.10 0.00 1.01 0.00 0.00 58.87 59.07 3dxa n SER 154 Cb 0.53 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.10 3dxa n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxa n GLN 155 N -0.85 1.66 -3.74 1.43 1.13 -1.26 -4.85 117.38 110.89 3dxa n GLN 155 Ca 0.13 -1.00 -0.37 0.00 -1.94 0.00 0.00 57.00 53.82 3dxa n GLN 155 Cb 0.06 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 3dxa n GLN 155 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3dxa s THR 156 N -1.80 5.37 -0.14 5.09 2.01 -0.65 -5.09 115.64 120.42 3dxa s THR 156 Ca 0.31 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.73 3dxa s THR 156 Cb 0.17 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.18 3dxa s THR 156 CO 0.25 0.57 -0.22 0.20 -0.69 0.00 0.00 174.62 174.74 3dxa s ASN 157 N -0.76 3.13 0.33 3.53 0.01 -1.26 -5.00 114.94 114.92 3dxa s ASN 157 Ca 0.17 -0.60 -0.20 0.00 -0.71 0.00 0.00 52.86 51.52 3dxa s ASN 157 Cb -0.13 -1.45 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 3dxa s ASN 157 CO 0.06 0.08 0.83 0.54 -1.51 0.00 0.00 177.10 177.09 3dxa s VAL 158 N 0.84 4.49 0.00 1.60 0.11 -1.26 -4.44 120.40 121.75 3dxa s VAL 158 Ca -0.06 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 3dxa s VAL 158 Cb -0.15 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 3dxa s VAL 158 CO -0.03 -0.09 0.00 -0.24 -3.33 0.00 0.00 175.10 171.42 3dxa n SER 159 N -0.06 1.13 -4.90 3.54 2.88 -1.26 -4.93 113.62 110.02 3dxa n SER 159 Ca 0.03 -0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 56.65 3dxa n SER 159 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 3dxa n SER 159 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dxa s GLN 160 N -0.85 3.18 0.02 -1.46 -1.52 -1.26 -4.97 119.66 112.79 3dxa s GLN 160 Ca 0.00 -0.90 -0.04 0.00 -1.95 0.00 0.00 55.36 52.47 3dxa s GLN 160 Cb 0.00 -2.73 -0.01 0.00 -0.22 0.00 0.00 33.01 30.05 3dxa s GLN 160 CO 0.00 0.42 0.50 0.43 -0.25 0.00 0.00 175.29 176.39 3dxa n SER 161 N -1.26 -0.12 -0.02 5.90 7.64 -1.26 -4.85 113.62 119.65 3dxa n SER 161 Ca -0.08 0.53 -0.21 0.00 1.01 0.00 0.00 58.87 60.12 3dxa n SER 161 Cb 0.57 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.45 3dxa n SER 161 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3dxa n LYS 162 N -2.99 0.74 -1.71 1.43 4.81 -1.26 -4.89 118.16 114.28 3dxa n LYS 162 Ca 0.00 0.24 -0.42 0.00 -0.87 0.00 0.00 58.31 57.26 3dxa n LYS 162 Cb 0.03 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.38 3dxa n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3dxa s ASP 163 N -6.94 6.45 -0.07 3.14 -4.77 -1.26 -4.88 116.67 108.34 3dxa s ASP 163 Ca -0.25 2.70 0.01 0.00 -3.30 0.00 0.00 52.55 51.71 3dxa s ASP 163 Cb 0.07 -2.55 0.13 0.00 -1.09 0.00 0.00 42.92 39.48 3dxa s ASP 163 CO 0.74 -1.02 1.00 -1.54 0.70 0.00 0.00 175.17 175.05 3dxa n SER 164 N 6.50 2.67 0.08 2.11 3.41 -1.26 -1.83 113.62 125.29 3dxa n SER 164 Ca 0.19 -2.25 -0.05 0.00 -0.26 0.00 0.00 58.87 56.50 3dxa n SER 164 Cb 0.40 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 3dxa n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dxa h ASP 165 N 0.38 0.00 -3.33 4.04 3.32 -1.98 -3.45 116.42 115.40 3dxa h ASP 165 Ca 0.07 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.47 3dxa h ASP 165 Cb 1.13 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.41 3dxa h ASP 165 CO 0.16 0.88 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.12 3dxa s VAL 166 N -2.77 3.16 -0.04 -1.35 1.01 -0.76 -4.49 120.40 115.17 3dxa s VAL 166 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dxa s VAL 166 Cb 0.09 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3dxa s VAL 166 CO 0.80 0.49 0.16 -0.31 0.00 0.00 0.00 175.10 176.24 3dxa s TYR 167 N 0.84 3.54 -0.13 5.22 2.02 -0.16 -4.72 117.35 123.95 3dxa s TYR 167 Ca -0.03 0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.02 3dxa s TYR 167 Cb -0.15 -1.85 0.06 0.00 -0.40 0.00 0.00 41.96 39.62 3dxa s TYR 167 CO 0.01 0.66 0.12 0.42 -1.57 0.00 0.00 175.55 175.19 3dxa s ILE 168 N -1.24 -0.17 0.60 2.71 1.01 -1.26 -1.11 121.20 121.74 3dxa s ILE 168 Ca 0.24 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 3dxa s ILE 168 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 3dxa s ILE 168 CO 0.15 -0.09 1.05 0.42 0.00 0.00 0.00 174.94 176.46 3dxa s THR 169 N 2.21 3.96 0.79 2.92 -4.23 0.38 -4.84 115.64 116.82 3dxa s THR 169 Ca 0.04 0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 61.32 3dxa s THR 169 Cb -0.14 -3.44 0.06 0.00 1.34 0.00 0.00 72.50 70.32 3dxa s THR 169 CO -0.08 -0.59 1.09 -0.62 -0.54 0.00 0.00 174.62 173.88 3dxa s ASP 170 N -2.99 4.47 0.70 3.99 -1.08 -1.26 -4.28 116.67 116.23 3dxa s ASP 170 Ca 0.62 1.58 -0.15 0.00 -0.52 0.00 0.00 52.55 54.08 3dxa s ASP 170 Cb -0.15 -2.33 0.02 0.00 -1.46 0.00 0.00 42.92 39.01 3dxa s ASP 170 CO 0.39 -2.02 1.16 -1.59 0.52 0.00 0.00 175.17 173.63 3dxa s LYS 171 N -5.00 2.44 0.06 4.34 -2.85 -1.26 -4.66 119.74 112.81 3dxa s LYS 171 Ca 0.61 1.60 -0.23 0.00 -1.00 0.00 0.00 55.97 56.94 3dxa s LYS 171 Cb -0.16 -1.89 0.06 0.00 -2.06 0.00 0.00 37.83 33.78 3dxa s LYS 171 CO 0.56 -1.57 0.55 0.00 0.10 0.00 0.00 175.35 174.99 3dxa s VAL 173 N -2.60 3.91 0.02 0.00 1.01 -1.26 -0.77 120.40 120.71 3dxa s VAL 173 Ca -0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3dxa s VAL 173 Cb -0.01 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3dxa s VAL 173 CO -0.03 0.35 0.29 -1.48 0.00 0.00 0.00 175.10 174.23 3dxa s LEU 174 N 1.55 4.37 -0.29 3.92 2.34 -0.97 -4.95 118.68 124.64 3dxa s LEU 174 Ca 0.06 0.60 -0.02 0.00 0.06 0.00 0.00 54.13 54.83 3dxa s LEU 174 Cb -0.15 -2.73 0.04 0.00 -0.56 0.00 0.00 46.19 42.79 3dxa s LEU 174 CO 0.01 0.24 -0.00 -0.62 -1.06 0.00 0.00 176.35 174.91 3dxa s ASP 175 N -1.72 4.84 0.36 1.48 2.15 -1.26 -2.52 116.67 120.00 3dxa s ASP 175 Ca 0.29 -1.20 0.17 0.00 0.43 0.00 0.00 52.55 52.24 3dxa s ASP 175 Cb -0.13 -1.72 1.16 0.00 -0.30 0.00 0.00 42.92 41.93 3dxa s ASP 175 CO 0.17 -0.24 1.65 0.24 -0.17 0.00 0.00 175.17 176.81 3dxa h MET 176 N 8.02 0.25 -0.37 4.34 2.86 -1.24 -3.44 114.93 125.34 3dxa h MET 176 Ca -0.23 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3dxa h MET 176 Cb 1.07 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3dxa h MET 176 CO 0.54 0.16 0.00 2.89 1.06 0.00 0.00 176.91 181.57 3dxa n ARG 177 N -5.04 2.87 0.21 1.72 1.85 -1.26 -4.81 116.66 112.20 3dxa n ARG 177 Ca 0.33 -2.08 0.08 0.00 -1.00 0.00 0.00 57.85 55.18 3dxa n ARG 177 Cb 1.07 -1.28 0.45 0.00 -1.05 0.00 0.00 32.46 31.64 3dxa n ARG 177 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3dxa h SER 178 N 2.13 0.00 0.00 2.89 0.02 -1.91 -3.36 113.55 113.32 3dxa h SER 178 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dxa h SER 178 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3dxa h SER 178 CO 0.00 0.27 0.00 0.23 -1.14 0.00 0.00 176.83 176.19 3dxa n MET 179 N -3.51 1.16 0.00 3.45 2.81 -1.26 -4.96 117.12 114.81 3dxa n MET 179 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3dxa n MET 179 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 3dxa n MET 179 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dxa n ASP 180 N 0.00 0.00 -3.64 7.83 -0.08 -1.26 -5.06 116.55 114.34 3dxa n ASP 180 Ca 0.00 0.90 -0.09 0.00 -1.51 0.00 0.00 54.79 54.09 3dxa n ASP 180 Cb 0.00 -0.40 -0.07 0.00 2.34 0.00 0.00 41.12 42.99 3dxa n ASP 180 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3dxa s PHE 181 N -2.59 -0.74 0.12 -0.67 5.36 -1.26 -4.95 117.98 113.25 3dxa s PHE 181 Ca 0.00 1.64 0.03 0.00 -0.96 0.00 0.00 56.93 57.64 3dxa s PHE 181 Cb 0.00 0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 43.04 3dxa s PHE 181 CO 0.00 -0.36 -0.09 0.15 -1.46 0.00 0.00 175.22 173.46 3dxa s LYS 182 N 0.85 0.92 -0.29 10.12 1.02 -1.26 -0.63 119.74 130.46 3dxa s LYS 182 Ca -0.03 -1.33 -0.13 0.00 0.02 0.00 0.00 55.97 54.50 3dxa s LYS 182 Cb -0.05 -0.45 0.11 0.00 -0.52 0.00 0.00 37.83 36.93 3dxa s LYS 182 CO -0.09 0.04 0.69 -1.54 -0.92 0.00 0.00 175.35 173.53 3dxa s SER 183 N -2.93 -1.04 0.16 2.83 1.04 -1.05 -4.89 113.70 107.83 3dxa s SER 183 Ca 0.12 1.51 -0.31 0.00 0.48 0.00 0.00 55.95 57.75 3dxa s SER 183 Cb 0.02 1.90 -0.08 0.00 0.10 0.00 0.00 66.02 67.95 3dxa s SER 183 CO -0.01 -0.22 1.33 0.20 0.98 0.00 0.00 173.24 175.51 3dxa s ASN 184 N 2.35 6.89 0.02 7.02 0.01 -1.26 -2.30 114.94 127.67 3dxa s ASN 184 Ca -0.08 2.34 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 3dxa s ASN 184 Cb -0.09 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 3dxa s ASN 184 CO -0.19 -0.56 -0.04 -0.94 -1.51 0.00 0.00 177.10 173.86 3dxa s SER 185 N 0.66 0.34 -0.06 -1.22 1.04 0.05 -1.87 113.70 112.63 3dxa s SER 185 Ca 0.59 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 3dxa s SER 185 Cb -0.36 0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3dxa s SER 185 CO 0.35 -0.28 0.16 0.00 0.98 0.00 0.00 173.24 174.45 3dxa s ALA 186 N -1.41 -0.34 0.04 5.32 0.00 0.10 -0.18 121.76 125.29 3dxa s ALA 186 Ca -0.15 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.42 3dxa s ALA 186 Cb -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3dxa s ALA 186 CO -0.01 -0.12 -0.03 0.08 0.00 0.00 0.00 175.76 175.69 3dxa s VAL 187 N 0.62 3.90 -0.05 0.00 1.01 -1.26 -1.97 120.40 122.65 3dxa s VAL 187 Ca -0.04 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3dxa s VAL 187 Cb -0.06 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3dxa s VAL 187 CO -0.03 0.28 0.17 0.00 0.00 0.00 0.00 175.10 175.52 3dxa s ALA 188 N -1.14 -0.43 0.25 5.51 0.00 -0.54 -0.47 121.76 124.94 3dxa s ALA 188 Ca 0.21 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 3dxa s ALA 188 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3dxa s ALA 188 CO 0.12 -0.12 0.53 1.67 0.00 0.00 0.00 175.76 177.97 3dxa s TRP 189 N -0.27 0.19 0.10 0.00 -2.14 -0.26 -0.34 118.94 116.22 3dxa s TRP 189 Ca -0.04 -0.57 -0.05 0.00 2.66 0.00 0.00 56.10 58.10 3dxa s TRP 189 Cb -0.03 0.32 0.02 0.00 -3.10 0.00 0.00 33.47 30.68 3dxa s TRP 189 CO 0.01 -1.04 0.23 0.45 -2.66 0.00 0.00 176.95 173.94 3dxa n SER 190 N -0.39 -0.60 -3.31 -2.66 2.88 -1.26 -0.98 113.62 107.29 3dxa n SER 190 Ca -0.03 -1.40 -0.25 0.00 -1.33 0.00 0.00 58.87 55.86 3dxa n SER 190 Cb 0.61 1.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.99 3dxa n SER 190 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3dxa n ASN 191 N -1.07 0.74 -1.54 -3.46 2.85 -1.26 -4.52 115.26 107.00 3dxa n ASN 191 Ca -0.02 -2.77 -0.04 0.00 -0.11 0.00 0.00 54.58 51.64 3dxa n ASN 191 Cb 0.16 -0.63 -0.01 0.00 1.24 0.00 0.00 39.78 40.54 3dxa n ASN 191 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3dxa n LYS 192 N 1.66 0.18 -0.13 1.20 5.02 -1.26 -5.07 118.16 119.76 3dxa n LYS 192 Ca 0.24 -0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 55.54 3dxa n LYS 192 Cb 0.49 0.72 -0.11 0.00 -0.02 0.00 0.00 35.03 36.11 3dxa n LYS 192 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dxa n SER 193 N -2.06 1.97 -0.29 4.39 7.64 -1.26 -4.50 113.62 119.52 3dxa n SER 193 Ca 0.00 0.07 0.13 0.00 1.01 0.00 0.00 58.87 60.09 3dxa n SER 193 Cb 0.16 -0.58 0.25 0.00 -1.01 0.00 0.00 64.21 63.03 3dxa n SER 193 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dxa n ASP 194 N -3.69 -0.08 -4.68 6.43 2.03 -1.26 -4.48 116.55 110.81 3dxa n ASP 194 Ca -0.49 1.42 -0.42 0.00 0.52 0.00 0.00 54.79 55.82 3dxa n ASP 194 Cb 0.94 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 3dxa n ASP 194 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3dxa s PHE 195 N -5.77 2.68 0.16 -0.67 5.36 -1.26 -5.02 117.98 113.46 3dxa s PHE 195 Ca -0.11 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 56.52 3dxa s PHE 195 Cb 0.25 -3.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 3dxa s PHE 195 CO 0.65 -2.68 0.18 0.00 -1.46 0.00 0.00 175.22 171.91 3dxa s ALA 196 N 2.81 0.49 -0.47 11.12 0.00 -1.26 -4.91 121.76 129.54 3dxa s ALA 196 Ca 0.65 -1.23 0.26 0.00 0.00 0.00 0.00 51.96 51.64 3dxa s ALA 196 Cb -0.31 0.92 0.79 0.00 0.00 0.00 0.00 23.12 24.52 3dxa s ALA 196 CO 0.26 -0.58 1.75 0.00 0.00 0.00 0.00 175.76 177.19 3dxa h ALA 198 N 2.24 1.52 0.00 0.00 0.00 -1.95 -3.26 119.26 117.81 3dxa h ALA 198 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dxa h ALA 198 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dxa h ALA 198 CO 0.00 0.27 -0.37 0.27 0.00 0.00 0.00 179.25 179.42 3dxa n ASN 199 N -4.10 1.85 0.10 0.00 0.23 -1.05 -4.77 115.26 107.52 3dxa n ASN 199 Ca -0.02 -3.59 -0.19 0.00 -0.53 0.00 0.00 54.58 50.25 3dxa n ASN 199 Cb 0.29 -0.49 -0.12 0.00 -2.08 0.00 0.00 39.78 37.38 3dxa n ASN 199 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dxa h ALA 200 N 0.70 0.08 -0.52 -2.53 0.00 -1.58 -3.37 119.26 112.03 3dxa h ALA 200 Ca -0.01 -0.81 -0.38 0.00 0.00 0.00 0.00 54.91 53.71 3dxa h ALA 200 Cb 1.03 0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.57 3dxa h ALA 200 CO 0.00 0.81 -0.75 1.19 0.00 0.00 0.00 179.25 180.51 3dxa n PHE 201 N -3.68 1.90 0.48 0.00 3.72 -1.26 -4.80 117.46 113.81 3dxa n PHE 201 Ca -0.11 -1.99 0.13 0.00 -0.05 0.00 0.00 57.45 55.43 3dxa n PHE 201 Cb 0.99 -0.31 0.37 0.00 -0.94 0.00 0.00 39.48 39.59 3dxa n PHE 201 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3dxa h ASN 202 N 1.85 0.00 -0.59 4.37 4.21 -1.89 -1.84 115.58 121.69 3dxa h ASN 202 Ca 0.24 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.53 3dxa h ASN 202 Cb 1.39 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.46 3dxa h ASN 202 CO 0.52 0.00 0.19 -0.46 -1.29 0.00 0.00 177.43 176.39 3dxa n ASN 203 N -2.52 3.81 -4.27 5.81 6.94 -1.26 -4.87 115.26 118.90 3dxa n ASN 203 Ca 0.04 -3.41 -0.32 0.00 -0.02 0.00 0.00 54.58 50.87 3dxa n ASN 203 Cb 0.43 -0.70 -0.16 0.00 -2.36 0.00 0.00 39.78 36.99 3dxa n ASN 203 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3dxa s SER 204 N -1.67 3.29 -0.65 0.53 0.01 -0.69 -4.54 113.70 109.98 3dxa s SER 204 Ca 0.50 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 57.00 3dxa s SER 204 Cb 0.42 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 65.37 3dxa s SER 204 CO 0.08 0.19 1.50 -0.63 0.41 0.00 0.00 173.24 174.79 3dxa s ILE 205 N 0.18 3.63 0.09 1.44 1.01 -1.26 -4.96 121.20 121.33 3dxa s ILE 205 Ca -0.13 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 3dxa s ILE 205 Cb -0.16 -4.48 -0.06 0.00 0.01 0.00 0.00 42.46 37.77 3dxa s ILE 205 CO 0.07 -1.37 0.43 -0.51 0.00 0.00 0.00 174.94 173.56 3dxa s ILE 206 N 6.84 5.05 0.07 2.92 2.07 -1.26 -4.66 121.20 132.22 3dxa s ILE 206 Ca 0.50 0.52 -0.35 0.00 -1.41 0.00 0.00 60.65 59.91 3dxa s ILE 206 Cb -0.10 -3.66 -0.14 0.00 0.13 0.00 0.00 42.46 38.69 3dxa s ILE 206 CO 0.20 0.28 1.61 -0.81 -1.91 0.00 0.00 174.94 174.31 3dxa n PRO 207 N 0.88 1.92 -1.05 3.50 -0.04 -1.26 -4.84 135.00 134.12 3dxa n PRO 207 Ca -0.07 0.70 -0.22 0.00 -0.04 0.00 0.00 63.50 63.86 3dxa n PRO 207 Cb 0.52 -2.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.43 3dxa n PRO 207 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dxa n GLU 208 N 4.05 2.54 -0.73 0.54 1.02 -1.26 -3.07 120.64 123.73 3dxa n GLU 208 Ca 0.19 -1.43 -0.04 0.00 -0.02 0.00 0.00 57.16 55.87 3dxa n GLU 208 Cb 0.26 -2.30 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 3dxa n GLU 208 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3dxa n ASP 209 N 3.05 -0.53 -4.84 1.62 5.75 -1.26 -5.16 116.55 115.17 3dxa n ASP 209 Ca 0.54 -1.36 -0.32 0.00 -0.01 0.00 0.00 54.79 53.64 3dxa n ASP 209 Cb 0.57 0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.78 3dxa n ASP 209 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dxa s THR 210 N 0.00 4.56 0.05 2.12 2.01 -1.17 -4.93 115.64 118.27 3dxa s THR 210 Ca 0.00 1.16 -0.28 0.00 0.31 0.00 0.00 61.69 62.89 3dxa s THR 210 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3dxa s THR 210 CO 0.00 -0.62 0.87 0.12 -0.69 0.00 0.00 174.62 174.29 3dxa s PHE 211 N -2.54 3.73 -0.33 4.92 5.36 -0.67 -4.97 117.98 123.49 3dxa s PHE 211 Ca 0.58 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 58.14 3dxa s PHE 211 Cb -0.10 -2.96 0.13 0.00 -0.34 0.00 0.00 43.02 39.75 3dxa s PHE 211 CO 0.29 0.17 0.20 -0.06 -1.46 0.00 0.00 175.22 174.36 3dxa s PHE 212 N 0.27 0.42 0.24 10.12 0.08 -1.26 -2.35 117.98 125.50 3dxa s PHE 212 Ca 0.44 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 56.31 3dxa s PHE 212 Cb -0.21 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3dxa s PHE 212 CO 0.26 -0.85 0.39 -1.25 -0.10 0.00 0.00 175.22 173.67 3dxa s PRO 213 N 1.55 3.46 -0.43 0.24 0.04 -1.26 -5.09 135.00 133.52 3dxa s PRO 213 Ca 0.14 -0.57 0.03 0.00 0.04 0.00 0.00 61.00 60.65 3dxa s PRO 213 Cb -0.19 -2.85 0.12 0.00 0.04 0.00 0.00 34.50 31.62 3dxa s PRO 213 CO -0.15 0.38 0.17 -1.54 0.04 0.00 0.00 177.00 175.90 3dxa s SER 214 N -3.71 4.39 0.23 6.66 1.04 -1.26 -4.82 113.70 116.23 3dxa s SER 214 Ca 0.36 -2.54 0.25 0.00 0.48 0.00 0.00 55.95 54.50 3dxa s SER 214 Cb -0.10 -1.51 0.90 0.00 0.10 0.00 0.00 66.02 65.41 3dxa s SER 214 CO 0.30 -0.31 1.75 -2.65 0.98 0.00 0.00 173.24 173.32 3dxa n PRO 215 N 3.72 0.23 0.00 4.02 -0.02 -1.26 -5.20 135.00 136.49 3dxa n PRO 215 Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3dxa n PRO 215 Cb 0.37 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3dxa n PRO 215 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63