#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxs s LEU 2 N 0.00 4.37 0.14 -0.89 1.43 -1.26 -5.07 118.68 117.40 3jxs s LEU 2 Ca 0.00 1.14 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 3jxs s LEU 2 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3jxs s LEU 2 CO 0.00 0.01 -0.13 0.68 0.23 0.00 0.00 176.35 177.14 3jxs s VAL 3 N 0.26 1.33 0.01 -1.59 -7.23 -1.26 -4.71 120.40 107.22 3jxs s VAL 3 Ca 0.33 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 3jxs s VAL 3 Cb -0.18 -1.72 -0.13 0.00 0.56 0.00 0.00 36.38 34.91 3jxs s VAL 3 CO 0.17 -0.57 1.24 0.00 -0.31 0.00 0.00 175.10 175.63 3jxs h ALA 4 N 3.10 0.50 -1.77 1.32 0.00 -1.05 -3.47 119.26 117.89 3jxs h ALA 4 Ca -0.38 -0.83 -0.47 0.00 0.00 0.00 0.00 54.91 53.22 3jxs h ALA 4 Cb 1.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3jxs h ALA 4 CO 0.57 1.09 -0.39 0.54 0.00 0.00 0.00 179.25 181.06 3jxs s ASN 5 N -6.52 5.54 -0.08 0.00 4.22 -1.26 -1.03 114.94 115.81 3jxs s ASN 5 Ca 0.01 -0.40 0.01 0.00 -2.14 0.00 0.00 52.86 50.34 3jxs s ASN 5 Cb 0.09 -1.00 -0.02 0.00 1.28 0.00 0.00 41.25 41.59 3jxs s ASN 5 CO 0.80 -0.44 -0.11 -0.63 -2.04 0.00 0.00 177.10 174.68 3jxs s ILE 6 N -2.28 3.29 -1.47 0.54 1.01 -1.26 -4.63 121.20 116.41 3jxs s ILE 6 Ca 0.44 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 3jxs s ILE 6 Cb -0.07 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.12 3jxs s ILE 6 CO 0.29 0.57 1.04 -3.20 0.00 0.00 0.00 174.94 173.64 3jxs n ASN 7 N 2.67 -5.21 0.25 3.58 5.15 -1.26 -4.43 115.26 116.01 3jxs n ASN 7 Ca -0.18 -0.70 0.17 0.00 -0.60 0.00 0.00 54.58 53.27 3jxs n ASN 7 Cb 0.53 -4.26 0.89 0.00 -0.53 0.00 0.00 39.78 36.40 3jxs n ASN 7 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3jxs h GLY 8 N -2.28 0.00 -0.10 8.20 0.00 -1.82 -1.86 103.07 105.21 3jxs h GLY 8 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3jxs h GLY 8 CO 0.63 0.00 -0.05 0.61 0.00 0.00 0.00 176.54 177.73 3jxs n GLY 9 N -0.93 3.49 2.64 4.60 0.00 -1.26 -1.02 105.19 112.71 3jxs n GLY 9 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 3jxs n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3jxs n PHE 10 N -0.95 0.00 0.31 1.61 3.72 -0.70 -4.50 117.46 116.95 3jxs n PHE 10 Ca 0.09 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.69 3jxs n PHE 10 Cb 0.53 -1.56 0.98 0.00 -0.94 0.00 0.00 39.48 38.49 3jxs n PHE 10 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jxs h GLU 11 N 0.27 0.00 -0.00 -1.08 4.39 -1.86 -1.33 114.58 114.97 3jxs h GLU 11 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3jxs h GLU 11 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3jxs h GLU 11 CO 0.07 0.01 -0.17 0.43 -1.16 0.00 0.00 179.01 178.19 3jxs n SER 12 N -3.12 0.45 -4.58 1.42 7.64 -1.26 -4.84 113.62 109.32 3jxs n SER 12 Ca -0.02 -0.38 -0.34 0.00 1.01 0.00 0.00 58.87 59.14 3jxs n SER 12 Cb 0.17 -0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 3jxs n SER 12 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3jxs s THR 13 N -2.65 4.49 0.50 0.44 2.01 -0.50 -4.95 115.64 114.99 3jxs s THR 13 Ca 0.23 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 3jxs s THR 13 Cb 0.19 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 3jxs s THR 13 CO 0.52 0.46 1.24 -2.65 -0.69 0.00 0.00 174.62 173.51 3jxs n PRO 14 N 3.61 1.62 -1.81 4.92 -0.02 -1.26 -4.94 135.00 137.13 3jxs n PRO 14 Ca -0.17 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 3jxs n PRO 14 Cb 0.52 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3jxs n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jxs s ALA 15 N -1.29 2.41 0.00 3.55 0.00 -1.26 -4.74 121.76 120.43 3jxs s ALA 15 Ca 0.68 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3jxs s ALA 15 Cb -0.46 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3jxs s ALA 15 CO 0.52 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3jxs n GLY 16 N 0.43 3.68 3.76 0.00 0.00 0.61 -4.94 105.19 108.72 3jxs n GLY 16 Ca 0.14 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3jxs n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3jxs n VAL 17 N -1.92 1.49 -2.93 1.61 3.14 -1.26 -1.78 118.33 116.68 3jxs n VAL 17 Ca 0.00 -0.37 -0.43 0.00 -2.96 0.00 0.00 64.34 60.58 3jxs n VAL 17 Cb 0.00 -1.97 -0.05 0.00 -1.06 0.00 0.00 33.84 30.76 3jxs n VAL 17 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3jxs s VAL 18 N -0.53 4.62 -0.12 1.55 1.01 0.08 -4.88 120.40 122.12 3jxs s VAL 18 Ca 0.59 0.57 0.21 0.00 0.00 0.00 0.00 61.98 63.35 3jxs s VAL 18 Cb -0.49 -4.33 -0.31 0.00 0.00 0.00 0.00 36.38 31.26 3jxs s VAL 18 CO 0.56 -0.70 0.49 0.35 0.00 0.00 0.00 175.10 175.80 3jxs n THR 19 N 6.14 0.00 -3.50 3.92 -2.24 -1.26 -4.67 114.28 112.67 3jxs n THR 19 Ca 0.03 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 3jxs n THR 19 Cb 0.48 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 3jxs n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jxs s ASP 20 N -4.22 6.05 0.23 3.42 -1.08 -1.26 -4.96 116.67 114.86 3jxs s ASP 20 Ca -0.06 -2.70 -0.05 0.00 -0.52 0.00 0.00 52.55 49.22 3jxs s ASP 20 Cb 0.13 -2.05 0.23 0.00 -1.46 0.00 0.00 42.92 39.77 3jxs s ASP 20 CO 0.85 -0.50 1.74 -0.07 0.52 0.00 0.00 175.17 177.71 3jxs h LEU 21 N 7.53 0.93 0.00 -1.34 3.38 -1.84 0.94 115.31 124.90 3jxs h LEU 21 Ca 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3jxs h LEU 21 Cb 1.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3jxs h LEU 21 CO 0.75 0.93 -0.55 0.00 0.09 0.00 0.00 178.44 179.66 3jxs h ALA 22 N 1.18 0.75 0.00 1.53 0.00 -1.90 -1.96 119.26 118.86 3jxs h ALA 22 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jxs h ALA 22 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3jxs h ALA 22 CO 0.01 0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.87 3jxs n GLU 23 N -2.97 3.21 0.15 0.00 -0.58 -1.16 -4.75 120.64 114.53 3jxs n GLU 23 Ca 0.01 -0.17 0.12 0.00 -0.42 0.00 0.00 57.16 56.69 3jxs n GLU 23 Cb 0.61 -0.63 0.11 0.00 -0.57 0.00 0.00 31.44 30.96 3jxs n GLU 23 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3jxs h GLY 24 N 0.00 0.00 -7.59 0.62 0.00 -1.03 -3.43 103.07 91.63 3jxs h GLY 24 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3jxs h GLY 24 CO 0.00 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 175.89 3jxs s VAL 25 N -3.26 1.72 0.19 4.60 1.01 -1.26 -4.93 120.40 118.47 3jxs s VAL 25 Ca 0.04 -1.30 -0.33 0.00 0.00 0.00 0.00 61.98 60.40 3jxs s VAL 25 Cb 0.08 -1.91 -0.15 0.00 0.00 0.00 0.00 36.38 34.41 3jxs s VAL 25 CO 0.72 -0.03 1.36 1.21 0.00 0.00 0.00 175.10 178.35 3jxs n GLU 26 N 4.61 1.69 -0.95 2.72 2.13 -1.26 -2.22 120.64 127.36 3jxs n GLU 26 Ca -0.13 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.29 3jxs n GLU 26 Cb 0.44 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.92 3jxs n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3jxs n GLY 27 N 2.38 0.95 3.01 8.31 0.00 -1.26 -4.59 105.19 113.98 3jxs n GLY 27 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3jxs n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jxs s TRP 28 N -3.78 0.48 -0.22 1.61 0.52 -0.94 -1.24 118.94 115.37 3jxs s TRP 28 Ca 0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.72 3jxs s TRP 28 Cb 0.00 -0.30 0.01 0.00 -1.15 0.00 0.00 33.47 32.03 3jxs s TRP 28 CO 0.00 -0.09 -0.10 0.34 0.02 0.00 0.00 176.95 177.13 3jxs s ASP 29 N -1.13 3.94 -0.07 2.95 2.15 0.47 -4.58 116.67 120.40 3jxs s ASP 29 Ca -0.08 -0.63 -0.05 0.00 0.43 0.00 0.00 52.55 52.22 3jxs s ASP 29 Cb -0.08 -1.63 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 3jxs s ASP 29 CO -0.00 -0.05 0.14 -0.76 -0.17 0.00 0.00 175.17 174.33 3jxs s LEU 30 N 1.37 4.28 -0.13 -1.34 1.43 -0.74 -0.28 118.68 123.27 3jxs s LEU 30 Ca 0.04 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.34 3jxs s LEU 30 Cb -0.15 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.86 3jxs s LEU 30 CO -0.07 0.34 0.45 0.21 0.23 0.00 0.00 176.35 177.52 3jxs s ASN 31 N -1.40 -0.44 -0.16 2.29 3.84 -0.12 -4.07 114.94 114.88 3jxs s ASN 31 Ca 0.20 0.75 0.00 0.00 0.21 0.00 0.00 52.86 54.02 3jxs s ASN 31 Cb -0.12 0.79 0.03 0.00 -0.55 0.00 0.00 41.25 41.40 3jxs s ASN 31 CO 0.10 -0.25 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.37 3jxs s VAL 32 N -0.16 1.36 0.81 -5.21 1.01 -1.26 -1.71 120.40 115.24 3jxs s VAL 32 Ca -0.03 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3jxs s VAL 32 Cb -0.03 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 35.03 3jxs s VAL 32 CO 0.02 0.29 1.09 -0.83 0.00 0.00 0.00 175.10 175.67 3jxs s GLY 33 N 1.55 1.65 0.60 4.51 0.00 0.54 -4.93 107.32 111.23 3jxs s GLY 33 Ca 0.02 0.09 0.36 0.00 0.00 0.00 0.00 44.72 45.20 3jxs s GLY 33 CO -0.09 0.50 2.21 1.48 0.00 0.00 0.00 173.10 177.20 3jxs h SER 34 N -1.25 0.00 1.13 1.64 4.64 -2.01 -2.56 113.55 115.15 3jxs h SER 34 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3jxs h SER 34 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3jxs h SER 34 CO 0.54 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 3jxs n SER 35 N -3.32 0.33 -4.66 4.97 3.41 -1.26 -4.73 113.62 108.37 3jxs n SER 35 Ca -0.02 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.70 3jxs n SER 35 Cb 0.16 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 3jxs n SER 35 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jxs s VAL 36 N -3.05 4.48 -0.06 -3.33 1.01 -0.97 -4.50 120.40 113.98 3jxs s VAL 36 Ca 0.12 1.77 0.22 0.00 0.00 0.00 0.00 61.98 64.09 3jxs s VAL 36 Cb 0.15 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 32.02 3jxs s VAL 36 CO 0.53 -0.22 0.46 0.35 0.00 0.00 0.00 175.10 176.22 3jxs n THR 37 N 5.47 0.19 -3.92 3.92 -2.24 -1.26 -4.61 114.28 111.83 3jxs n THR 37 Ca 0.13 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 3jxs n THR 37 Cb 0.46 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 3jxs n THR 37 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3jxs s ASN 38 N -4.68 4.76 0.47 3.42 3.84 -1.26 -5.10 114.94 116.39 3jxs s ASN 38 Ca -0.08 -2.52 -0.21 0.00 0.21 0.00 0.00 52.86 50.27 3jxs s ASN 38 Cb 0.13 -1.70 -0.09 0.00 -0.55 0.00 0.00 41.25 39.04 3jxs s ASN 38 CO 0.89 -0.36 1.03 -2.84 -2.79 0.00 0.00 177.10 173.04 3jxs s PRO 39 N 0.41 3.90 0.97 0.43 0.02 -1.26 -3.42 135.00 136.06 3jxs s PRO 39 Ca 0.13 1.36 -0.14 0.00 0.02 0.00 0.00 61.00 62.37 3jxs s PRO 39 Cb -0.22 -2.17 0.17 0.00 0.02 0.00 0.00 34.50 32.30 3jxs s PRO 39 CO -0.04 -0.34 1.16 -1.25 -0.33 0.00 0.00 177.00 176.19 3jxs s PRO 40 N -3.11 0.63 -0.13 5.54 0.04 -1.26 -4.58 135.00 132.13 3jxs s PRO 40 Ca 0.65 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.86 3jxs s PRO 40 Cb -0.16 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3jxs s PRO 40 CO 0.20 -2.51 -0.21 0.08 0.04 0.00 0.00 177.00 174.60 3jxs s VAL 41 N -3.30 2.23 -0.20 -0.36 1.01 -0.34 -4.97 120.40 114.48 3jxs s VAL 41 Ca 0.66 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3jxs s VAL 41 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3jxs s VAL 41 CO 0.54 0.54 0.07 -0.36 0.00 0.00 0.00 175.10 175.89 3jxs s PHE 42 N 0.64 3.22 -0.04 5.22 0.08 -1.26 -0.29 117.98 125.56 3jxs s PHE 42 Ca -0.11 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3jxs s PHE 42 Cb -0.16 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 3jxs s PHE 42 CO 0.02 0.06 -0.02 -1.21 -0.10 0.00 0.00 175.22 173.98 3jxs s GLU 43 N 0.60 0.54 -0.21 0.44 0.41 -0.01 -0.74 118.70 119.72 3jxs s GLU 43 Ca 0.03 -0.00 -0.26 0.00 -0.41 0.00 0.00 54.97 54.33 3jxs s GLU 43 Cb -0.13 -0.65 -0.00 0.00 -1.78 0.00 0.00 34.13 31.57 3jxs s GLU 43 CO 0.01 -0.12 0.90 0.08 -0.49 0.00 0.00 175.26 175.65 3jxs s VAL 44 N 1.00 4.80 -0.07 2.63 1.01 -0.73 -0.24 120.40 128.79 3jxs s VAL 44 Ca -0.10 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.65 3jxs s VAL 44 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3jxs s VAL 44 CO -0.01 -0.08 -0.11 -0.76 0.00 0.00 0.00 175.10 174.15 3jxs s LEU 45 N 2.75 2.94 -0.08 3.92 1.43 0.18 -0.29 118.68 129.53 3jxs s LEU 45 Ca 0.39 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 3jxs s LEU 45 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3jxs s LEU 45 CO 0.09 0.33 0.76 -1.61 0.23 0.00 0.00 176.35 176.15 3jxs s GLU 46 N -0.61 4.43 -0.07 1.70 2.02 -1.26 -1.42 118.70 123.49 3jxs s GLU 46 Ca 0.09 0.98 -0.06 0.00 0.02 0.00 0.00 54.97 56.00 3jxs s GLU 46 Cb -0.11 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.66 3jxs s GLU 46 CO 0.01 -0.03 0.18 0.99 0.02 0.00 0.00 175.26 176.44 3jxs s THR 47 N 1.09 0.00 0.26 3.63 2.01 -0.37 -5.00 115.64 117.26 3jxs s THR 47 Ca 0.40 -0.02 0.36 0.00 0.31 0.00 0.00 61.69 62.74 3jxs s THR 47 Cb -0.18 -0.27 0.37 0.00 0.01 0.00 0.00 72.50 72.43 3jxs s THR 47 CO 0.19 -0.01 2.08 0.28 -0.69 0.00 0.00 174.62 176.47 3jxs h SER 48 N 5.81 0.00 -0.62 3.53 0.02 -1.94 -3.14 113.55 117.21 3jxs h SER 48 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3jxs h SER 48 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3jxs h SER 48 CO 0.39 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.41 3jxs n ASP 49 N -2.83 4.65 -4.75 3.07 2.03 -1.26 -4.98 116.55 112.48 3jxs n ASP 49 Ca -0.01 -2.44 -0.41 0.00 0.52 0.00 0.00 54.79 52.44 3jxs n ASP 49 Cb 0.13 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 3jxs n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jxs s ALA 50 N -1.83 3.58 0.39 -1.67 0.00 -1.19 -4.89 121.76 116.14 3jxs s ALA 50 Ca 0.50 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.80 3jxs s ALA 50 Cb 0.32 -3.53 0.79 0.00 0.00 0.00 0.00 23.12 20.70 3jxs s ALA 50 CO 0.24 -0.69 2.03 -1.35 0.00 0.00 0.00 175.76 175.99 3jxs h PRO 51 N 4.57 0.60 -4.45 0.00 0.11 -1.93 -3.42 132.00 127.47 3jxs h PRO 51 Ca -0.47 -0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.22 3jxs h PRO 51 Cb 1.22 -0.13 -0.30 0.00 0.11 0.00 0.00 31.00 31.90 3jxs h PRO 51 CO 0.74 0.42 -0.77 -2.00 -0.21 0.00 0.00 178.00 176.18 3jxs s GLU 52 N -5.49 0.69 2.81 1.05 -6.30 -1.26 -5.05 118.70 105.15 3jxs s GLU 52 Ca -0.09 -0.24 0.00 0.00 -2.50 0.00 0.00 54.97 52.15 3jxs s GLU 52 Cb 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 34.13 33.64 3jxs s GLU 52 CO 0.74 0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.54 3jxs n GLY 53 N 3.16 1.98 0.01 -1.50 0.00 -1.26 -3.98 105.19 103.61 3jxs n GLY 53 Ca -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.56 3jxs n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jxs n ASN 54 N -0.82 0.53 -4.23 1.61 5.03 -1.26 -4.56 115.26 111.56 3jxs n ASN 54 Ca 0.00 -0.76 -0.24 0.00 0.87 0.00 0.00 54.58 54.45 3jxs n ASN 54 Cb 0.00 0.97 -0.14 0.00 -1.02 0.00 0.00 39.78 39.60 3jxs n ASN 54 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3jxs s LYS 55 N -1.95 1.22 0.23 3.52 1.02 -1.26 -1.24 119.74 121.28 3jxs s LYS 55 Ca 0.04 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.14 3jxs s LYS 55 Cb 0.08 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 3jxs s LYS 55 CO 0.42 0.33 -0.02 0.14 -0.92 0.00 0.00 175.35 175.30 3jxs s VAL 56 N -0.89 1.11 -0.25 3.17 -7.23 -0.51 -4.72 120.40 111.09 3jxs s VAL 56 Ca 0.06 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 3jxs s VAL 56 Cb -0.09 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3jxs s VAL 56 CO 0.02 -0.37 0.26 -0.22 -0.31 0.00 0.00 175.10 174.48 3jxs s LEU 57 N -3.30 4.08 -0.19 1.32 2.96 -0.33 -0.65 118.68 122.57 3jxs s LEU 57 Ca 0.27 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 3jxs s LEU 57 Cb 0.05 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3jxs s LEU 57 CO 0.08 -0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.16 3jxs s ALA 58 N 1.49 3.54 -0.34 5.97 0.00 0.66 -1.02 121.76 132.06 3jxs s ALA 58 Ca 0.11 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3jxs s ALA 58 Cb -0.15 -2.01 0.10 0.00 0.00 0.00 0.00 23.12 21.06 3jxs s ALA 58 CO 0.08 0.20 0.05 0.08 0.00 0.00 0.00 175.76 176.17 3jxs s VAL 59 N 0.29 2.15 -0.33 0.00 1.01 0.54 -0.83 120.40 123.23 3jxs s VAL 59 Ca 0.06 -2.25 -0.21 0.00 0.00 0.00 0.00 61.98 59.58 3jxs s VAL 59 Cb -0.12 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 3jxs s VAL 59 CO -0.01 -0.59 0.67 -0.89 0.00 0.00 0.00 175.10 174.29 3jxs s THR 60 N 0.97 4.87 -0.30 3.92 2.01 0.60 -0.80 115.64 126.92 3jxs s THR 60 Ca 0.10 0.82 -0.15 0.00 0.31 0.00 0.00 61.69 62.77 3jxs s THR 60 Cb -0.19 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 3jxs s THR 60 CO -0.09 -0.25 0.37 -0.69 -0.69 0.00 0.00 174.62 173.27 3jxs s VAL 61 N 2.75 5.16 -1.47 3.82 1.01 -0.51 -1.20 120.40 129.97 3jxs s VAL 61 Ca 0.27 0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.77 3jxs s VAL 61 Cb -0.14 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3jxs s VAL 61 CO 0.13 0.05 0.84 0.59 0.00 0.00 0.00 175.10 176.72 3jxs n ASN 62 N 5.37 1.70 0.00 3.32 5.03 -1.26 -0.49 115.26 128.93 3jxs n ASN 62 Ca -0.09 -1.35 0.00 0.00 0.87 0.00 0.00 54.58 54.02 3jxs n ASN 62 Cb 0.50 0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 3jxs n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jxs n GLY 63 N 1.03 1.94 3.72 7.41 0.00 -1.22 -4.77 105.19 113.29 3jxs n GLY 63 Ca 0.07 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3jxs n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jxs s VAL 64 N -2.00 1.38 0.00 1.61 -7.23 -1.26 -4.81 120.40 108.08 3jxs s VAL 64 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3jxs s VAL 64 Cb 0.00 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3jxs s VAL 64 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3jxs n GLY 65 N -1.17 4.65 0.11 2.32 0.00 -1.26 -4.23 105.19 105.62 3jxs n GLY 65 Ca -0.15 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3jxs n GLY 65 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3jxs h ASN 66 N 0.00 0.25 -5.26 1.61 2.35 -1.93 -3.47 115.58 109.13 3jxs h ASN 66 Ca 0.00 -0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.40 3jxs h ASN 66 Cb 0.00 -0.08 -0.15 0.00 0.05 0.00 0.00 38.32 38.14 3jxs h ASN 66 CO 0.00 1.08 -0.61 0.20 -1.65 0.00 0.00 177.43 176.45 3jxs s ASN 67 N -6.94 0.38 0.52 5.81 0.01 -1.26 -5.05 114.94 108.41 3jxs s ASN 67 Ca -0.03 -0.97 0.33 0.00 -0.71 0.00 0.00 52.86 51.49 3jxs s ASN 67 Cb 0.09 0.25 1.40 0.00 0.41 0.00 0.00 41.25 43.41 3jxs s ASN 67 CO 0.84 -0.66 1.98 -0.65 -1.51 0.00 0.00 177.10 177.10 3jxs h PRO 68 N 3.01 0.00 0.00 -0.60 0.11 -1.92 -0.83 132.00 131.77 3jxs h PRO 68 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3jxs h PRO 68 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3jxs h PRO 68 CO 0.62 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.39 3jxs n TYR 69 N -2.97 0.00 0.78 0.65 9.36 -1.26 -1.02 117.16 122.70 3jxs n TYR 69 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.33 3jxs n TYR 69 Cb 0.27 -0.46 0.46 0.00 -0.63 0.00 0.00 39.34 38.99 3jxs n TYR 69 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3jxs n ASP 70 N -1.46 0.00 -3.89 2.98 8.00 -0.32 -3.88 116.55 117.98 3jxs n ASP 70 Ca 0.04 0.39 -0.30 0.00 0.71 0.00 0.00 54.79 55.63 3jxs n ASP 70 Cb 0.15 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 3jxs n ASP 70 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jxs s ILE 71 N -2.91 1.35 0.05 0.53 1.01 -1.16 -0.34 121.20 119.72 3jxs s ILE 71 Ca 0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 3jxs s ILE 71 Cb 0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3jxs s ILE 71 CO 0.37 -0.21 -0.03 -1.38 0.00 0.00 0.00 174.94 173.69 3jxs s HIS 72 N 1.46 0.48 -0.12 3.97 -3.43 -0.70 -0.77 115.29 116.18 3jxs s HIS 72 Ca -0.02 -0.99 -0.00 0.00 -0.80 0.00 0.00 55.06 53.25 3jxs s HIS 72 Cb -0.18 -0.36 0.02 0.00 -1.43 0.00 0.00 32.58 30.63 3jxs s HIS 72 CO -0.09 -0.36 -0.10 0.00 -2.00 0.00 0.00 174.74 172.20 3jxs s ALA 73 N -3.58 1.49 -0.14 -1.38 0.00 -0.72 -0.94 121.76 116.49 3jxs s ALA 73 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3jxs s ALA 73 Cb 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3jxs s ALA 73 CO -0.09 -0.40 -0.19 0.99 0.00 0.00 0.00 175.76 176.07 3jxs s THR 74 N 1.63 2.35 -0.06 0.00 2.01 0.61 -0.55 115.64 121.64 3jxs s THR 74 Ca 0.05 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 3jxs s THR 74 Cb -0.13 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3jxs s THR 74 CO -0.09 0.53 1.34 0.00 -0.69 0.00 0.00 174.62 175.72 3jxs s ALA 75 N 0.78 3.59 -0.26 7.40 0.00 -0.71 -0.39 121.76 132.15 3jxs s ALA 75 Ca -0.07 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 3jxs s ALA 75 Cb -0.16 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.44 3jxs s ALA 75 CO -0.00 -1.00 0.67 -1.17 0.00 0.00 0.00 175.76 174.26 3jxs s LEU 76 N 2.84 -0.72 0.60 0.00 2.96 -0.37 -0.68 118.68 123.31 3jxs s LEU 76 Ca 0.61 1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 55.79 3jxs s LEU 76 Cb -0.27 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.68 3jxs s LEU 76 CO 0.23 -0.24 1.03 -2.16 -1.32 0.00 0.00 176.35 173.89 3jxs s PRO 77 N 0.93 3.51 -0.21 0.98 0.04 -1.26 -3.68 135.00 135.30 3jxs s PRO 77 Ca -0.05 0.92 0.02 0.00 0.04 0.00 0.00 61.00 61.93 3jxs s PRO 77 Cb -0.05 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3jxs s PRO 77 CO -0.08 -0.64 -0.13 0.08 0.04 0.00 0.00 177.00 176.27 3jxs s VAL 78 N -2.89 1.93 -0.35 -0.36 1.01 -0.51 -4.03 120.40 115.20 3jxs s VAL 78 Ca 0.58 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 3jxs s VAL 78 Cb -0.12 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3jxs s VAL 78 CO 0.45 0.21 0.39 0.20 0.00 0.00 0.00 175.10 176.35 3jxs s ASN 79 N 1.27 6.20 0.31 3.32 0.02 -0.20 -0.66 114.94 125.20 3jxs s ASN 79 Ca -0.02 -0.25 0.04 0.00 -1.02 0.00 0.00 52.86 51.61 3jxs s ASN 79 Cb -0.17 -2.21 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3jxs s ASN 79 CO -0.08 -0.38 0.20 0.68 0.02 0.00 0.00 177.10 177.53 3jxs s VAL 80 N 2.08 0.18 -0.07 1.60 -7.23 -0.12 -4.63 120.40 112.22 3jxs s VAL 80 Ca 0.13 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.35 3jxs s VAL 80 Cb -0.16 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 3jxs s VAL 80 CO 0.12 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.56 3jxs s ARG 81 N -3.71 2.46 0.37 4.82 0.52 -1.26 -4.39 118.95 117.76 3jxs s ARG 81 Ca 0.37 -0.80 -0.27 0.00 -0.52 0.00 0.00 55.73 54.50 3jxs s ARG 81 Cb 0.04 -2.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.38 3jxs s ARG 81 CO 0.20 0.28 1.33 -2.30 0.02 0.00 0.00 175.30 174.83 3jxs n PRO 82 N 3.19 2.19 -0.06 3.54 -0.02 -1.25 -2.32 135.00 140.28 3jxs n PRO 82 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3jxs n PRO 82 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3jxs n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jxs n GLY 83 N 0.71 1.73 3.85 -1.23 0.00 0.10 -5.00 105.19 105.36 3jxs n GLY 83 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3jxs n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxs s VAL 84 N -2.67 4.71 -0.20 1.61 1.01 -0.98 -4.72 120.40 119.16 3jxs s VAL 84 Ca 0.00 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 3jxs s VAL 84 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3jxs s VAL 84 CO 0.00 -0.12 0.06 -0.89 0.00 0.00 0.00 175.10 174.15 3jxs s THR 85 N -1.90 4.55 0.22 3.92 2.01 -1.26 -1.31 115.64 121.87 3jxs s THR 85 Ca 0.52 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.51 3jxs s THR 85 Cb -0.11 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3jxs s THR 85 CO 0.18 0.41 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.08 3jxs s TYR 86 N 0.83 2.48 -0.17 4.92 2.02 0.49 -4.68 117.35 123.25 3jxs s TYR 86 Ca 0.03 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 3jxs s TYR 86 Cb -0.14 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3jxs s TYR 86 CO 0.02 0.58 0.03 0.99 -1.57 0.00 0.00 175.55 175.60 3jxs s THR 87 N -2.01 4.49 -0.24 -0.71 2.01 0.29 -0.97 115.64 118.50 3jxs s THR 87 Ca 0.26 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 3jxs s THR 87 Cb -0.07 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 3jxs s THR 87 CO 0.15 0.49 0.15 -0.47 -0.69 0.00 0.00 174.62 174.25 3jxs s TYR 88 N 0.24 3.28 -0.02 4.92 5.04 0.02 -0.57 117.35 130.26 3jxs s TYR 88 Ca 0.02 0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.84 3jxs s TYR 88 Cb -0.13 -2.27 -0.00 0.00 0.35 0.00 0.00 41.96 39.91 3jxs s TYR 88 CO 0.01 0.01 -0.12 0.99 -1.34 0.00 0.00 175.55 175.10 3jxs s THR 89 N 1.15 0.96 0.10 4.34 2.01 -0.50 -1.52 115.64 122.18 3jxs s THR 89 Ca 0.07 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 3jxs s THR 89 Cb -0.14 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3jxs s THR 89 CO 0.05 0.28 0.25 -0.51 -0.69 0.00 0.00 174.62 174.00 3jxs s ILE 90 N -0.08 0.12 -0.01 1.82 2.07 -0.21 -0.47 121.20 124.45 3jxs s ILE 90 Ca 0.01 -1.01 0.06 0.00 -1.41 0.00 0.00 60.65 58.30 3jxs s ILE 90 Cb -0.07 -1.29 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 3jxs s ILE 90 CO 0.00 -0.56 -0.18 0.26 -1.91 0.00 0.00 174.94 172.56 3jxs s TRP 91 N -3.85 2.59 -0.04 3.50 0.52 -0.28 0.04 118.94 121.43 3jxs s TRP 91 Ca 0.04 -0.24 -0.22 0.00 0.02 0.00 0.00 56.10 55.71 3jxs s TRP 91 Cb 0.04 -1.54 0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3jxs s TRP 91 CO -0.11 0.18 0.47 0.00 0.02 0.00 0.00 176.95 177.51 3jxs s ALA 92 N -0.79 -1.22 0.30 0.98 0.00 -0.60 -1.92 121.76 118.51 3jxs s ALA 92 Ca 0.13 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3jxs s ALA 92 Cb -0.10 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3jxs s ALA 92 CO 0.02 -0.31 0.62 -0.98 0.00 0.00 0.00 175.76 175.12 3jxs s ARG 93 N -1.20 1.83 0.21 0.00 1.70 -0.81 -1.70 118.95 118.97 3jxs s ARG 93 Ca -0.12 -1.28 0.02 0.00 -0.47 0.00 0.00 55.73 53.88 3jxs s ARG 93 Cb -0.03 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 3jxs s ARG 93 CO 0.06 -0.81 0.03 0.00 -1.08 0.00 0.00 175.30 173.51 3jxs s ALA 94 N -3.48 1.57 0.23 7.88 0.00 0.38 0.09 121.76 128.42 3jxs s ALA 94 Ca 0.18 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 3jxs s ALA 94 Cb -0.03 0.71 0.22 0.00 0.00 0.00 0.00 23.12 24.02 3jxs s ALA 94 CO 0.10 -0.35 1.74 1.49 0.00 0.00 0.00 175.76 178.74 3jxs h GLU 95 N 2.54 0.98 -4.61 0.00 4.57 -1.22 -3.36 114.58 113.48 3jxs h GLU 95 Ca -0.38 -0.25 -0.34 0.00 -1.18 0.00 0.00 59.36 57.22 3jxs h GLU 95 Cb 1.22 -0.12 -0.26 0.00 -0.16 0.00 0.00 28.75 29.43 3jxs h GLU 95 CO 0.62 0.91 -0.76 -0.65 -1.18 0.00 0.00 179.01 177.95 3jxs s GLN 96 N -5.16 0.58 0.96 1.92 -0.21 -1.26 -4.87 119.66 111.62 3jxs s GLN 96 Ca -0.11 -0.48 -0.12 0.00 0.02 0.00 0.00 55.36 54.67 3jxs s GLN 96 Cb 0.15 -0.50 0.07 0.00 1.00 0.00 0.00 33.01 33.73 3jxs s GLN 96 CO 0.83 0.12 0.57 -0.25 -2.12 0.00 0.00 175.29 174.44 3jxs n ASP 97 N 2.29 -1.54 0.00 5.90 8.00 -1.26 -3.90 116.55 126.04 3jxs n ASP 97 Ca -0.17 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3jxs n ASP 97 Cb 0.56 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3jxs n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jxs n GLY 98 N 1.23 1.57 3.80 0.44 0.00 -1.24 -5.03 105.19 105.98 3jxs n GLY 98 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3jxs n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxs s ALA 99 N -2.30 2.73 -0.03 4.61 0.00 -1.17 -4.81 121.76 120.80 3jxs s ALA 99 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.32 3jxs s ALA 99 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3jxs s ALA 99 CO 0.00 -0.87 -0.04 0.08 0.00 0.00 0.00 175.76 174.93 3jxs s VAL 100 N -2.54 0.42 -0.02 0.00 1.01 -1.26 -0.50 120.40 117.51 3jxs s VAL 100 Ca 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3jxs s VAL 100 Cb -0.16 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3jxs s VAL 100 CO 0.39 0.17 0.04 -0.69 0.00 0.00 0.00 175.10 175.02 3jxs s VAL 101 N 0.60 -0.02 -0.13 2.92 1.01 -0.72 -4.73 120.40 119.33 3jxs s VAL 101 Ca -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3jxs s VAL 101 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3jxs s VAL 101 CO -0.00 0.02 0.06 -0.44 0.00 0.00 0.00 175.10 174.74 3jxs s SER 102 N 0.33 5.65 -0.26 3.32 0.01 -0.92 -0.88 113.70 120.95 3jxs s SER 102 Ca -0.03 0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 3jxs s SER 102 Cb -0.04 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.40 3jxs s SER 102 CO -0.01 0.31 0.00 -0.36 0.41 0.00 0.00 173.24 173.59 3jxs s PHE 103 N -0.47 3.07 0.16 2.43 0.40 -0.36 -0.80 117.98 122.41 3jxs s PHE 103 Ca 0.10 -1.14 0.03 0.00 -0.60 0.00 0.00 56.93 55.31 3jxs s PHE 103 Cb -0.12 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 3jxs s PHE 103 CO 0.02 -0.61 -0.04 0.95 0.70 0.00 0.00 175.22 176.24 3jxs s THR 104 N 1.44 0.86 -0.05 0.64 -4.23 -0.50 -0.97 115.64 112.83 3jxs s THR 104 Ca 0.03 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 3jxs s THR 104 Cb -0.16 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.70 3jxs s THR 104 CO -0.01 -0.60 0.12 0.54 -0.54 0.00 0.00 174.62 174.13 3jxs s VAL 105 N -3.53 -0.01 0.22 2.29 0.11 -0.83 -2.67 120.40 115.97 3jxs s VAL 105 Ca 0.20 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.09 3jxs s VAL 105 Cb 0.05 -0.18 0.07 0.00 -1.53 0.00 0.00 36.38 34.79 3jxs s VAL 105 CO 0.02 0.02 1.01 -0.83 -3.33 0.00 0.00 175.10 171.99 3jxs s GLY 106 N 0.35 0.19 0.82 6.54 0.00 -0.59 -0.43 107.32 114.20 3jxs s GLY 106 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 3jxs s GLY 106 CO -0.01 2.40 1.12 0.54 0.00 0.00 0.00 173.10 177.15 3jxs s ASN 107 N -3.42 3.82 0.00 1.64 2.20 -0.56 -1.46 114.94 117.15 3jxs s ASN 107 Ca 0.22 -0.27 0.30 0.00 -0.94 0.00 0.00 52.86 52.17 3jxs s ASN 107 Cb -0.03 0.07 1.45 0.00 -2.00 0.00 0.00 41.25 40.74 3jxs s ASN 107 CO 0.06 -2.24 2.02 0.00 -2.94 0.00 0.00 177.10 174.01 3jxs n GLN 108 N -3.17 0.31 0.00 3.55 10.64 -1.26 -4.40 117.38 123.05 3jxs n GLN 108 Ca 0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 3jxs n GLN 108 Cb 0.60 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 3jxs n GLN 108 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3jxs n SER 109 N -1.34 0.00 -0.33 2.61 2.88 -1.26 -5.04 113.62 111.13 3jxs n SER 109 Ca 0.12 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.73 3jxs n SER 109 Cb 0.27 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.85 3jxs n SER 109 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3jxs n HIS 110 N 0.00 0.00 -4.15 0.66 8.25 -1.26 -5.05 115.22 113.66 3jxs n HIS 110 Ca 0.00 -0.90 -0.34 0.00 -0.26 0.00 0.00 57.72 56.22 3jxs n HIS 110 Cb 0.00 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.86 3jxs n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jxs s ASP 111 N -2.58 5.39 0.07 0.41 -0.00 -1.26 -4.99 116.67 113.71 3jxs s ASP 111 Ca 0.28 0.05 -0.23 0.00 -0.00 0.00 0.00 52.55 52.65 3jxs s ASP 111 Cb 0.26 -1.85 -0.06 0.00 -0.00 0.00 0.00 42.92 41.26 3jxs s ASP 111 CO -0.01 0.21 0.68 -1.81 -0.00 0.00 0.00 175.17 174.24 3jxs s ASP 112 N 0.13 7.16 0.17 0.27 1.01 -1.26 -1.49 116.67 122.66 3jxs s ASP 112 Ca 0.03 1.38 0.21 0.00 0.71 0.00 0.00 52.55 54.88 3jxs s ASP 112 Cb -0.13 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3jxs s ASP 112 CO 0.01 0.15 1.00 1.88 0.21 0.00 0.00 175.17 178.42 3jxs h TYR 113 N 5.07 0.00 0.00 4.23 0.05 -1.08 -3.48 116.97 121.76 3jxs h TYR 113 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3jxs h TYR 113 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 3jxs h TYR 113 CO 0.66 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 178.31 3jxs n GLY 114 N 1.23 0.58 3.61 3.88 0.00 -1.17 -4.44 105.19 108.88 3jxs n GLY 114 Ca -0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 3jxs n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jxs s ARG 115 N -2.00 0.89 -0.30 1.61 1.70 -1.26 -1.96 118.95 117.63 3jxs s ARG 115 Ca 0.00 -0.41 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 3jxs s ARG 115 Cb 0.00 0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 3jxs s ARG 115 CO 0.00 -0.40 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.30 3jxs s LEU 116 N -2.66 3.92 -0.11 -1.89 1.43 -0.15 -5.01 118.68 114.22 3jxs s LEU 116 Ca 0.08 -1.38 -0.21 0.00 -1.03 0.00 0.00 54.13 51.59 3jxs s LEU 116 Cb -0.01 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3jxs s LEU 116 CO -0.04 -0.27 0.62 -2.28 0.23 0.00 0.00 176.35 174.61 3jxs s HIS 117 N 1.20 3.51 -1.33 0.29 2.46 -1.26 -1.22 115.29 118.94 3jxs s HIS 117 Ca -0.05 1.07 -0.12 0.00 0.47 0.00 0.00 55.06 56.43 3jxs s HIS 117 Cb -0.20 -2.73 0.01 0.00 -0.13 0.00 0.00 32.58 29.53 3jxs s HIS 117 CO -0.02 0.05 0.48 0.39 -2.47 0.00 0.00 174.74 173.17 3jxs n GLU 118 N 4.06 -1.78 -2.28 2.88 1.02 -1.24 -4.88 120.64 118.42 3jxs n GLU 118 Ca -0.03 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 56.99 3jxs n GLU 118 Cb 0.51 -3.87 -0.03 0.00 -0.02 0.00 0.00 31.44 28.03 3jxs n GLU 118 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3jxs s GLN 119 N -6.74 4.41 0.12 3.49 -1.52 -0.06 -4.77 119.66 114.59 3jxs s GLN 119 Ca 0.21 1.98 -0.30 0.00 -1.95 0.00 0.00 55.36 55.29 3jxs s GLN 119 Cb -0.09 -3.23 -0.07 0.00 -0.22 0.00 0.00 33.01 29.40 3jxs s GLN 119 CO 0.92 -0.23 1.19 -0.65 -0.25 0.00 0.00 175.29 176.27 3jxs s GLN 120 N 0.10 4.47 -0.08 2.91 -1.52 -1.26 -1.76 119.66 122.51 3jxs s GLN 120 Ca 0.57 1.80 0.01 0.00 -1.95 0.00 0.00 55.36 55.78 3jxs s GLN 120 Cb -0.35 -3.30 -0.02 0.00 -0.22 0.00 0.00 33.01 29.11 3jxs s GLN 120 CO 0.36 -0.16 -0.10 0.42 -0.25 0.00 0.00 175.29 175.56 3jxs s ILE 121 N 0.53 3.36 0.58 1.08 -1.09 0.34 -4.98 121.20 121.03 3jxs s ILE 121 Ca 0.56 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 58.47 3jxs s ILE 121 Cb -0.30 -2.37 0.08 0.00 -1.58 0.00 0.00 42.46 38.28 3jxs s ILE 121 CO 0.32 0.57 0.68 0.42 -1.23 0.00 0.00 174.94 175.70 3jxs s THR 122 N -0.41 1.86 0.05 2.92 -4.23 -1.26 -3.03 115.64 111.53 3jxs s THR 122 Ca 0.05 -1.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 3jxs s THR 122 Cb -0.12 -2.04 0.31 0.00 1.34 0.00 0.00 72.50 71.99 3jxs s THR 122 CO 0.02 0.00 1.86 0.71 -0.54 0.00 0.00 174.62 176.67 3jxs h THR 123 N 0.32 0.25 -3.10 3.99 1.35 -1.83 0.11 112.91 114.00 3jxs h THR 123 Ca -0.31 -0.87 -0.60 0.00 -0.55 0.00 0.00 66.41 64.08 3jxs h THR 123 Cb 1.30 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 69.36 3jxs h THR 123 CO 0.46 0.11 -0.14 -1.61 -0.25 0.00 0.00 175.52 174.08 3jxs s GLU 124 N -3.59 4.03 0.21 4.72 0.41 -1.26 -4.41 118.70 118.81 3jxs s GLU 124 Ca 0.02 0.52 -0.32 0.00 -0.41 0.00 0.00 54.97 54.78 3jxs s GLU 124 Cb 0.09 -3.24 -0.13 0.00 -1.78 0.00 0.00 34.13 29.07 3jxs s GLU 124 CO 0.60 0.65 1.53 0.91 -0.49 0.00 0.00 175.26 178.46 3jxs n TRP 125 N 1.86 2.34 -4.03 1.61 7.02 -1.26 -4.52 117.44 120.46 3jxs n TRP 125 Ca -0.12 0.31 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 3jxs n TRP 125 Cb 0.52 -2.53 -0.12 0.00 -2.42 0.00 0.00 31.31 26.76 3jxs n TRP 125 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3jxs s GLN 126 N 0.27 0.40 0.21 -0.99 -0.21 -0.69 -4.97 119.66 113.68 3jxs s GLN 126 Ca 0.73 -0.57 -0.22 0.00 0.02 0.00 0.00 55.36 55.32 3jxs s GLN 126 Cb -0.63 -0.16 -0.08 0.00 1.00 0.00 0.00 33.01 33.14 3jxs s GLN 126 CO 0.43 0.02 0.76 -1.25 -2.12 0.00 0.00 175.29 173.13 3jxs s PRO 127 N -1.20 4.37 -0.07 2.91 0.04 -1.26 -1.56 135.00 138.23 3jxs s PRO 127 Ca -0.09 0.99 0.03 0.00 0.04 0.00 0.00 61.00 61.97 3jxs s PRO 127 Cb -0.08 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.48 3jxs s PRO 127 CO -0.00 0.44 -0.15 -0.06 0.04 0.00 0.00 177.00 177.26 3jxs s PHE 128 N -1.42 1.72 0.02 0.56 0.08 0.11 -4.98 117.98 114.06 3jxs s PHE 128 Ca 0.41 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 3jxs s PHE 128 Cb -0.19 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3jxs s PHE 128 CO 0.23 -0.29 0.09 -0.08 -0.10 0.00 0.00 175.22 175.07 3jxs s THR 129 N 0.50 0.11 0.22 0.64 -1.32 -1.26 -1.04 115.64 113.48 3jxs s THR 129 Ca -0.14 -0.88 -0.23 0.00 -1.21 0.00 0.00 61.69 59.23 3jxs s THR 129 Cb -0.16 -0.58 0.04 0.00 -1.51 0.00 0.00 72.50 70.29 3jxs s THR 129 CO 0.05 -0.49 0.77 0.72 -2.21 0.00 0.00 174.62 173.46 3jxs s PHE 130 N -1.87 -0.23 0.08 9.09 -0.12 -0.57 -5.02 117.98 119.33 3jxs s PHE 130 Ca -0.11 -0.14 0.07 0.00 -0.05 0.00 0.00 56.93 56.70 3jxs s PHE 130 Cb -0.06 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3jxs s PHE 130 CO -0.01 -1.05 -0.12 -1.21 -0.05 0.00 0.00 175.22 172.78 3jxs s GLU 131 N -3.70 2.16 0.07 1.99 2.02 -1.26 -0.80 118.70 119.17 3jxs s GLU 131 Ca 0.10 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 3jxs s GLU 131 Cb -0.04 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 3jxs s GLU 131 CO 0.02 0.53 0.15 -0.59 0.02 0.00 0.00 175.26 175.38 3jxs s PHE 132 N -1.12 0.19 -0.08 1.61 -0.12 -0.14 -4.87 117.98 113.45 3jxs s PHE 132 Ca 0.19 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.54 3jxs s PHE 132 Cb -0.11 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 3jxs s PHE 132 CO 0.11 -0.47 -0.22 0.99 -0.05 0.00 0.00 175.22 175.58 3jxs s THR 133 N -3.41 2.31 -0.57 -4.49 2.01 -1.26 -0.38 115.64 109.85 3jxs s THR 133 Ca 0.02 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 3jxs s THR 133 Cb 0.03 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.68 3jxs s THR 133 CO -0.08 0.56 1.40 -0.69 -0.69 0.00 0.00 174.62 175.12 3jxs s VAL 134 N -0.04 3.79 -1.68 3.82 1.01 -0.43 -4.85 120.40 122.02 3jxs s VAL 134 Ca -0.06 0.66 0.26 0.00 0.00 0.00 0.00 61.98 62.83 3jxs s VAL 134 Cb -0.15 -4.48 0.22 0.00 0.00 0.00 0.00 36.38 31.97 3jxs s VAL 134 CO 0.05 -1.22 1.51 -1.54 0.00 0.00 0.00 175.10 173.90 3jxs n SER 135 N 9.57 1.03 -0.50 3.32 3.41 -1.26 0.03 113.62 129.22 3jxs n SER 135 Ca 0.12 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 3jxs n SER 135 Cb 0.49 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3jxs n SER 135 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jxs n ASP 136 N -0.72 1.85 -1.99 4.04 5.68 -1.26 -4.91 116.55 119.24 3jxs n ASP 136 Ca 0.11 -0.25 -0.02 0.00 -0.50 0.00 0.00 54.79 54.14 3jxs n ASP 136 Cb 0.35 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.68 3jxs n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jxs n GLN 137 N -0.02 4.18 -2.75 0.11 6.02 -1.26 -4.33 117.38 119.33 3jxs n GLN 137 Ca 0.00 -3.12 -0.34 0.00 -0.01 0.00 0.00 57.00 53.54 3jxs n GLN 137 Cb 0.00 -2.25 -0.06 0.00 1.02 0.00 0.00 30.24 28.95 3jxs n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3jxs s GLU 138 N -2.92 4.16 -0.00 -1.09 0.41 -1.26 -4.81 118.70 113.20 3jxs s GLU 138 Ca 0.55 1.20 0.02 0.00 -0.41 0.00 0.00 54.97 56.34 3jxs s GLU 138 Cb 0.43 -2.22 -0.03 0.00 -1.78 0.00 0.00 34.13 30.53 3jxs s GLU 138 CO 0.15 -0.10 0.05 0.25 -0.49 0.00 0.00 175.26 175.12 3jxs n THR 139 N -0.60 0.00 -3.97 3.63 -2.24 -1.26 -3.76 114.28 106.08 3jxs n THR 139 Ca 0.07 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 3jxs n THR 139 Cb 0.53 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 3jxs n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jxs s VAL 140 N -2.03 1.68 0.30 2.28 1.01 -1.26 -0.95 120.40 121.43 3jxs s VAL 140 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3jxs s VAL 140 Cb 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3jxs s VAL 140 CO 0.09 -0.08 0.04 2.30 0.00 0.00 0.00 175.10 177.45 3jxs n ILE 141 N 4.62 0.00 -4.13 2.22 -5.35 0.17 -4.62 119.36 112.26 3jxs n ILE 141 Ca -0.12 -1.36 -0.09 0.00 -0.27 0.00 0.00 62.75 60.91 3jxs n ILE 141 Cb 0.44 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.43 3jxs n ILE 141 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jxs s ARG 142 N -3.09 0.75 -0.49 6.28 1.70 -0.54 -1.43 118.95 122.13 3jxs s ARG 142 Ca 0.03 -1.30 0.03 0.00 -0.47 0.00 0.00 55.73 54.02 3jxs s ARG 142 Cb -0.00 0.07 0.15 0.00 -0.57 0.00 0.00 34.95 34.60 3jxs s ARG 142 CO 0.02 -0.11 0.33 0.00 -1.08 0.00 0.00 175.30 174.46 3jxs s ALA 143 N -3.84 2.27 0.08 7.88 0.00 0.15 -1.54 121.76 126.76 3jxs s ALA 143 Ca 0.12 -2.82 -0.30 0.00 0.00 0.00 0.00 51.96 48.95 3jxs s ALA 143 Cb 0.07 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 3jxs s ALA 143 CO -0.06 -2.05 1.03 -2.14 0.00 0.00 0.00 175.76 172.54 3jxs s PRO 144 N -0.15 4.59 -0.23 0.00 0.02 -1.09 -1.75 135.00 136.39 3jxs s PRO 144 Ca 0.24 1.54 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 3jxs s PRO 144 Cb -0.11 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 3jxs s PRO 144 CO -0.10 0.03 0.05 0.42 -0.33 0.00 0.00 177.00 177.06 3jxs s ILE 145 N 0.45 4.22 -0.18 2.83 1.01 0.29 -1.41 121.20 128.42 3jxs s ILE 145 Ca 0.51 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 3jxs s ILE 145 Cb -0.25 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 3jxs s ILE 145 CO 0.30 0.38 0.22 -1.00 0.00 0.00 0.00 174.94 174.83 3jxs s HIS 146 N 1.35 3.43 -0.10 3.97 3.76 0.02 -1.76 115.29 125.95 3jxs s HIS 146 Ca 0.05 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 3jxs s HIS 146 Cb -0.15 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 3jxs s HIS 146 CO 0.03 0.25 0.17 1.19 -0.85 0.00 0.00 174.74 175.52 3jxs n PHE 147 N 3.61 0.00 0.05 1.40 3.72 0.05 -2.17 117.46 124.12 3jxs n PHE 147 Ca -0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 3jxs n PHE 147 Cb 0.52 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.07 3jxs n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jxs n GLY 148 N 0.84 2.45 3.81 1.37 0.00 -0.19 -4.83 105.19 108.64 3jxs n GLY 148 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3jxs n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jxs s PHE 149 N -0.19 3.79 0.28 1.61 0.40 -1.26 -4.13 117.98 118.47 3jxs s PHE 149 Ca 0.03 1.31 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 3jxs s PHE 149 Cb 0.03 -2.53 0.65 0.00 0.51 0.00 0.00 43.02 41.68 3jxs s PHE 149 CO 0.00 0.54 1.68 0.00 0.70 0.00 0.00 175.22 178.14 3jxs h ALA 150 N 4.30 1.26 0.00 5.36 0.00 -1.97 0.17 119.26 128.39 3jxs h ALA 150 Ca -0.49 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3jxs h ALA 150 Cb 1.21 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3jxs h ALA 150 CO 0.64 -0.37 0.10 0.00 0.00 0.00 0.00 179.25 179.62 3jxs n ALA 151 N -2.60 0.90 1.07 0.00 0.00 -1.26 -1.24 120.51 117.38 3jxs n ALA 151 Ca 0.20 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.93 3jxs n ALA 151 Cb 0.61 -1.14 0.17 0.00 0.00 0.00 0.00 19.45 19.09 3jxs n ALA 151 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jxs n ASN 152 N -2.19 0.94 -4.69 0.00 3.02 0.61 -4.66 115.26 108.30 3jxs n ASN 152 Ca -0.01 -0.74 -0.44 0.00 -0.03 0.00 0.00 54.58 53.36 3jxs n ASN 152 Cb 0.13 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 3jxs n ASN 152 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3jxs n VAL 153 N -1.08 0.36 -0.81 2.41 0.31 -0.37 -1.76 118.33 117.39 3jxs n VAL 153 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3jxs n VAL 153 Cb 0.35 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 3jxs n VAL 153 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jxs n GLY 154 N 4.17 0.58 3.51 2.92 0.00 0.36 -5.01 105.19 111.72 3jxs n GLY 154 Ca 0.19 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3jxs n GLY 154 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jxs s ASN 155 N -2.14 3.58 -0.13 1.61 3.84 -0.72 -4.99 114.94 115.98 3jxs s ASN 155 Ca 0.00 -1.16 0.02 0.00 0.21 0.00 0.00 52.86 51.94 3jxs s ASN 155 Cb 0.00 -0.32 0.01 0.00 -0.55 0.00 0.00 41.25 40.40 3jxs s ASN 155 CO 0.00 -0.16 -0.20 -0.89 -2.79 0.00 0.00 177.10 173.06 3jxs s THR 156 N -2.64 1.89 -0.13 -5.21 2.01 -1.26 -1.42 115.64 108.89 3jxs s THR 156 Ca 0.31 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 3jxs s THR 156 Cb 0.01 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3jxs s THR 156 CO 0.15 0.52 0.25 -0.63 -0.69 0.00 0.00 174.62 174.22 3jxs s ILE 157 N 0.88 5.32 -0.08 1.82 1.09 0.02 -0.68 121.20 129.58 3jxs s ILE 157 Ca -0.06 0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.97 3jxs s ILE 157 Cb -0.15 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 3jxs s ILE 157 CO -0.02 0.49 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.86 3jxs s TYR 158 N -0.23 2.74 0.06 3.97 2.02 0.11 -0.34 117.35 125.68 3jxs s TYR 158 Ca 0.16 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 3jxs s TYR 158 Cb -0.13 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3jxs s TYR 158 CO 0.05 0.07 -0.12 0.96 -1.57 0.00 0.00 175.55 174.94 3jxs s ILE 159 N -0.39 0.88 0.17 2.71 -4.36 -0.19 -1.93 121.20 118.09 3jxs s ILE 159 Ca 0.04 -1.20 -0.20 0.00 -0.26 0.00 0.00 60.65 59.04 3jxs s ILE 159 Cb -0.12 -0.88 0.05 0.00 1.25 0.00 0.00 42.46 42.75 3jxs s ILE 159 CO 0.02 -0.28 0.54 -0.62 0.24 0.00 0.00 174.94 174.85 3jxs s ASP 160 N -1.64 -0.38 -1.15 4.36 2.15 -0.81 -1.19 116.67 118.01 3jxs s ASP 160 Ca -0.05 -0.26 -0.07 0.00 0.43 0.00 0.00 52.55 52.60 3jxs s ASP 160 Cb -0.10 0.58 0.01 0.00 -0.30 0.00 0.00 42.92 43.11 3jxs s ASP 160 CO 0.01 -1.00 0.92 0.61 -0.17 0.00 0.00 175.17 175.54 3jxs n GLY 161 N -0.34 -0.29 3.69 2.66 0.00 -1.14 -1.13 105.19 108.63 3jxs n GLY 161 Ca -0.14 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3jxs n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jxs s LEU 162 N -6.15 4.40 -0.08 0.99 2.96 -0.19 -4.27 118.68 116.34 3jxs s LEU 162 Ca 0.46 2.75 -0.01 0.00 -0.22 0.00 0.00 54.13 57.10 3jxs s LEU 162 Cb -0.20 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 42.96 3jxs s LEU 162 CO 0.56 -1.01 -0.01 0.00 -1.32 0.00 0.00 176.35 174.57 3jxs s ALA 163 N 2.98 0.81 -0.30 5.97 0.00 0.38 -4.34 121.76 127.27 3jxs s ALA 163 Ca 0.82 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3jxs s ALA 163 Cb -0.46 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 21.90 3jxs s ALA 163 CO 0.37 -0.47 0.05 0.42 0.00 0.00 0.00 175.76 176.13 3jxs s ILE 164 N 1.93 3.64 -0.01 0.00 1.01 -1.26 -1.41 121.20 125.10 3jxs s ILE 164 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3jxs s ILE 164 Cb -0.12 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3jxs s ILE 164 CO -0.06 0.03 -0.14 -0.69 0.00 0.00 0.00 174.94 174.09 3jxs s VAL 165 N 1.43 1.06 -2.00 2.92 1.01 0.27 -0.50 120.40 124.59 3jxs s VAL 165 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3jxs s VAL 165 Cb -0.18 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3jxs s VAL 165 CO 0.01 0.29 0.54 -0.67 0.00 0.00 0.00 175.10 175.27