#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs3 s ARG 11 N 0.00 2.57 0.16 0.03 3.00 -1.26 -5.13 118.95 118.32 1xs3 s ARG 11 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 55.73 54.13 1xs3 s ARG 11 Cb 0.00 -2.34 0.08 0.00 0.00 0.00 0.00 34.95 32.69 1xs3 s ARG 11 CO 0.00 0.19 1.06 -1.59 0.00 0.00 0.00 175.30 174.95 1xs3 s LYS 12 N -3.87 1.20 -1.27 3.54 -2.85 -1.26 -5.01 119.74 110.22 1xs3 s LYS 12 Ca 0.37 -0.76 -0.06 0.00 -1.00 0.00 0.00 55.97 54.51 1xs3 s LYS 12 Cb -0.05 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1xs3 s LYS 12 CO 0.24 -0.56 0.66 0.54 0.10 0.00 0.00 175.35 176.33 1xs3 n ARG 13 N -0.69 -3.23 -2.08 1.78 5.12 -1.26 -4.85 116.66 111.45 1xs3 n ARG 13 Ca -0.03 0.53 -0.42 0.00 -1.93 0.00 0.00 57.85 56.00 1xs3 n ARG 13 Cb 0.60 -4.72 -0.03 0.00 -1.16 0.00 0.00 32.46 27.15 1xs3 n ARG 13 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xs3 s PRO 14 N -6.05 3.27 0.00 5.56 0.04 -1.26 -4.82 135.00 131.73 1xs3 s PRO 14 Ca 0.16 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1xs3 s PRO 14 Cb -0.05 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1xs3 s PRO 14 CO 0.84 -1.94 0.00 -0.11 0.04 0.00 0.00 177.00 175.83 1xs3 n LEU 15 N 10.40 0.00 0.03 -3.56 7.94 -1.26 -4.68 117.00 125.87 1xs3 n LEU 15 Ca 0.21 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1xs3 n LEU 15 Cb 0.48 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1xs3 n LEU 15 CO 0.69 -0.37 0.00 0.47 -1.11 0.00 0.00 177.39 177.07 1xs3 n ASP 16 N -2.16 0.19 -0.04 1.96 8.00 -1.26 -4.60 116.55 118.64 1xs3 n ASP 16 Ca 0.00 0.10 -0.06 0.00 0.71 0.00 0.00 54.79 55.54 1xs3 n ASP 16 Cb 0.00 -0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1xs3 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs3 h ALA 17 N 0.00 0.93 -0.05 2.24 0.00 -1.87 -1.97 119.26 118.54 1xs3 h ALA 17 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1xs3 h ALA 17 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xs3 h ALA 17 CO 0.00 0.61 -0.11 0.93 0.00 0.00 0.00 179.25 180.68 1xs3 h GLU 18 N 0.55 0.17 0.05 0.00 4.39 -1.87 -0.07 114.58 117.81 1xs3 h GLU 18 Ca 0.07 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1xs3 h GLU 18 Cb 0.76 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1xs3 h GLU 18 CO 0.06 0.70 -0.11 0.00 -1.16 0.00 0.00 179.01 178.51 1xs3 h THR 19 N -0.33 0.75 -0.51 1.13 1.03 -1.80 0.21 112.91 113.38 1xs3 h THR 19 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.32 1xs3 h THR 19 Cb 0.70 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 68.51 1xs3 h THR 19 CO 0.03 0.00 0.01 0.16 -0.01 0.00 0.00 175.52 175.71 1xs3 h ILE 20 N -0.21 1.26 0.36 0.00 3.07 -1.44 -1.17 117.51 119.38 1xs3 h ILE 20 Ca 0.02 -1.06 -0.02 0.00 1.55 0.00 0.00 64.86 65.35 1xs3 h ILE 20 Cb 0.23 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 1xs3 h ILE 20 CO -0.07 0.37 -0.17 -0.09 -1.05 0.00 0.00 178.15 177.14 1xs3 h ARG 21 N 0.75 -0.46 -0.54 0.16 2.43 -0.75 -1.08 114.38 114.89 1xs3 h ARG 21 Ca 0.15 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1xs3 h ARG 21 Cb 0.50 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1xs3 h ARG 21 CO 0.02 -0.29 0.34 1.57 -1.51 0.00 0.00 179.97 180.10 1xs3 h LYS 22 N -0.50 0.67 -0.27 0.20 2.10 -0.58 0.23 116.57 118.41 1xs3 h LYS 22 Ca -0.05 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.61 1xs3 h LYS 22 Cb 0.38 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.52 1xs3 h LYS 22 CO 0.08 0.44 0.01 -0.07 -2.00 0.00 0.00 179.45 177.91 1xs3 h LEU 23 N 0.69 -0.08 -0.29 7.07 -0.00 -1.06 -0.60 115.31 121.04 1xs3 h LEU 23 Ca 0.21 0.06 -0.08 0.00 -0.00 0.00 0.00 57.88 58.06 1xs3 h LEU 23 Cb -0.04 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1xs3 h LEU 23 CO -0.07 -0.01 -0.12 0.40 -0.00 0.00 0.00 178.44 178.64 1xs3 h ILE 24 N 0.10 1.29 -0.90 1.22 2.04 -0.89 -0.93 117.51 119.44 1xs3 h ILE 24 Ca 0.13 -1.21 0.12 0.00 1.00 0.00 0.00 64.86 64.91 1xs3 h ILE 24 Cb 0.16 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1xs3 h ILE 24 CO -0.21 0.38 0.58 -0.33 0.00 0.00 0.00 178.15 178.57 1xs3 h GLU 25 N 0.34 0.77 0.12 2.37 5.08 -0.20 0.25 114.58 123.32 1xs3 h GLU 25 Ca 0.07 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.11 1xs3 h GLU 25 Cb 0.64 -0.17 0.03 0.00 0.50 0.00 0.00 28.75 29.74 1xs3 h GLU 25 CO 0.04 0.51 -1.12 1.03 -1.00 0.00 0.00 179.01 178.47 1xs3 h SER 26 N 0.80 0.77 0.31 1.42 0.87 -0.99 -3.36 113.55 113.37 1xs3 h SER 26 Ca 0.44 -0.84 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1xs3 h SER 26 Cb 0.58 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1xs3 h SER 26 CO -0.20 1.54 -0.15 1.23 -0.53 0.00 0.00 176.83 178.72 1xs3 h GLY 27 N 0.11 -0.43 -1.41 5.77 0.00 -0.35 -3.44 103.07 103.33 1xs3 h GLY 27 Ca -0.17 0.16 -0.51 0.00 0.00 0.00 0.00 47.33 46.81 1xs3 h GLY 27 CO 0.21 -0.16 0.39 1.08 0.00 0.00 0.00 176.54 178.07 1xs3 s LEU 28 N -9.73 3.23 0.00 3.11 2.01 0.82 -5.05 118.68 113.07 1xs3 s LEU 28 Ca -0.15 1.57 0.00 0.00 0.01 0.00 0.00 54.13 55.56 1xs3 s LEU 28 Cb 0.03 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.74 1xs3 s LEU 28 CO 0.59 -1.17 0.06 -0.81 1.01 0.00 0.00 176.35 176.03 1xs3 n PRO 29 N -2.80 0.00 -0.71 1.29 -0.04 -1.26 -4.59 135.00 126.89 1xs3 n PRO 29 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1xs3 n PRO 29 Cb 0.54 -0.36 0.22 0.00 -0.04 0.00 0.00 33.50 33.85 1xs3 n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xs3 n GLU 30 N -0.11 2.29 -2.36 0.54 1.02 -1.26 -4.98 120.64 115.79 1xs3 n GLU 30 Ca 0.00 -3.05 -0.42 0.00 -0.02 0.00 0.00 57.16 53.67 1xs3 n GLU 30 Cb 0.00 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.53 1xs3 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xs3 s ALA 31 N -3.10 3.52 -0.48 0.62 0.00 -1.26 -4.89 121.76 116.16 1xs3 s ALA 31 Ca 0.45 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 1xs3 s ALA 31 Cb 0.39 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1xs3 s ALA 31 CO 0.04 -0.78 0.69 1.03 0.00 0.00 0.00 175.76 176.74 1xs3 s ARG 32 N 2.13 3.23 -0.22 0.00 1.81 0.60 -4.75 118.95 121.75 1xs3 s ARG 32 Ca 0.59 -0.55 -0.05 0.00 -1.72 0.00 0.00 55.73 54.00 1xs3 s ARG 32 Cb -0.28 -4.03 -0.02 0.00 -0.45 0.00 0.00 34.95 30.18 1xs3 s ARG 32 CO 0.25 -1.18 -0.01 0.08 -0.68 0.00 0.00 175.30 173.76 1xs3 s VAL 33 N 2.95 3.72 -0.11 3.52 1.01 -1.26 -0.61 120.40 129.62 1xs3 s VAL 33 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1xs3 s VAL 33 Cb -0.16 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1xs3 s VAL 33 CO 0.16 0.41 -0.03 -1.81 0.00 0.00 0.00 175.10 173.83 1xs3 s ASP 34 N 1.37 2.04 -0.03 3.32 1.11 -0.15 -4.90 116.67 119.43 1xs3 s ASP 34 Ca 0.05 -0.28 0.04 0.00 0.18 0.00 0.00 52.55 52.54 1xs3 s ASP 34 Cb -0.15 -0.66 -0.01 0.00 1.07 0.00 0.00 42.92 43.18 1xs3 s ASP 34 CO -0.00 -0.17 -0.16 -0.69 1.18 0.00 0.00 175.17 175.32 1xs3 s VAL 35 N 1.82 1.35 -0.10 -1.27 1.01 -1.26 -0.16 120.40 121.79 1xs3 s VAL 35 Ca 0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1xs3 s VAL 35 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1xs3 s VAL 35 CO -0.07 0.39 -0.06 -1.10 0.00 0.00 0.00 175.10 174.26 1xs3 s GLN 36 N -0.10 1.36 0.00 2.72 -0.21 0.10 -4.80 119.66 118.73 1xs3 s GLN 36 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1xs3 s GLN 36 Cb -0.10 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.46 1xs3 s GLN 36 CO 0.01 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1xs3 n GLY 37 N 4.93 0.50 3.51 3.09 0.00 -1.26 -1.42 105.19 114.54 1xs3 n GLY 37 Ca -0.12 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1xs3 n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xs3 s GLU 38 N -2.00 0.88 0.74 1.61 1.03 -1.26 -4.60 118.70 115.10 1xs3 s GLU 38 Ca 0.00 -0.13 -0.15 0.00 0.03 0.00 0.00 54.97 54.72 1xs3 s GLU 38 Cb 0.00 0.41 0.05 0.00 -0.80 0.00 0.00 34.13 33.78 1xs3 s GLU 38 CO 0.00 -0.34 1.20 0.16 -1.33 0.00 0.00 175.26 174.95 1xs3 s ASP 39 N -1.99 4.11 0.00 0.83 -4.77 -1.26 -2.50 116.67 111.09 1xs3 s ASP 39 Ca 0.00 2.35 0.00 0.00 -3.30 0.00 0.00 52.55 51.60 1xs3 s ASP 39 Cb -0.01 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1xs3 s ASP 39 CO -0.04 -2.32 0.00 0.61 0.70 0.00 0.00 175.17 174.12 1xs3 n GLY 40 N 0.38 1.05 3.29 2.12 0.00 -1.26 -4.91 105.19 105.86 1xs3 n GLY 40 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1xs3 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs3 s VAL 41 N -2.90 0.91 -0.50 1.61 1.01 -1.04 -4.76 120.40 114.73 1xs3 s VAL 41 Ca 0.00 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.68 1xs3 s VAL 41 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xs3 s VAL 41 CO 0.00 -0.41 1.46 -1.38 0.00 0.00 0.00 175.10 174.77 1xs3 s HIS 42 N -3.50 2.26 0.36 5.22 -3.43 -1.26 -4.69 115.29 110.25 1xs3 s HIS 42 Ca 0.26 0.57 0.07 0.00 -0.80 0.00 0.00 55.06 55.16 1xs3 s HIS 42 Cb 0.06 -4.33 -0.07 0.00 -1.43 0.00 0.00 32.58 26.80 1xs3 s HIS 42 CO 0.06 -2.05 -0.02 -0.59 -2.00 0.00 0.00 174.74 170.14 1xs3 s PHE 43 N 6.08 2.33 -0.11 0.38 -0.12 -1.25 -4.84 117.98 120.45 1xs3 s PHE 43 Ca 0.58 -0.67 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 1xs3 s PHE 43 Cb -0.12 -1.50 -0.02 0.00 -0.63 0.00 0.00 43.02 40.75 1xs3 s PHE 43 CO 0.28 0.40 -0.12 -1.83 -0.05 0.00 0.00 175.22 173.90 1xs3 s GLU 44 N -3.71 3.13 -0.13 1.99 -1.05 -0.50 -3.36 118.70 115.06 1xs3 s GLU 44 Ca 0.34 -0.66 -0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1xs3 s GLU 44 Cb 0.07 -2.59 0.03 0.00 -0.44 0.00 0.00 34.13 31.20 1xs3 s GLU 44 CO 0.16 0.37 -0.09 0.00 0.95 0.00 0.00 175.26 176.65 1xs3 s ALA 45 N -0.04 1.51 -0.24 -0.84 0.00 0.21 -0.72 121.76 121.63 1xs3 s ALA 45 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1xs3 s ALA 45 Cb -0.14 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 22.03 1xs3 s ALA 45 CO 0.04 -0.50 -0.11 0.99 0.00 0.00 0.00 175.76 176.18 1xs3 s THR 46 N 1.63 2.00 -0.06 0.00 2.01 0.77 -3.47 115.64 118.52 1xs3 s THR 46 Ca 0.04 -1.43 0.06 0.00 0.31 0.00 0.00 61.69 60.66 1xs3 s THR 46 Cb -0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1xs3 s THR 46 CO -0.09 0.04 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.95 1xs3 s VAL 47 N 1.20 1.98 -0.09 3.82 1.01 -1.13 -0.98 120.40 126.21 1xs3 s VAL 47 Ca -0.06 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1xs3 s VAL 47 Cb -0.19 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1xs3 s VAL 47 CO -0.06 0.55 -0.07 0.54 0.00 0.00 0.00 175.10 176.06 1xs3 s VAL 48 N -0.08 0.87 0.19 2.92 0.11 0.22 -3.64 120.40 120.99 1xs3 s VAL 48 Ca -0.05 -0.22 -0.23 0.00 -2.93 0.00 0.00 61.98 58.54 1xs3 s VAL 48 Cb -0.14 -0.90 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1xs3 s VAL 48 CO 0.04 0.33 0.74 -0.94 -3.33 0.00 0.00 175.10 171.94 1xs3 s SER 49 N 1.50 -0.36 0.51 3.54 1.04 -0.35 -0.29 113.70 119.28 1xs3 s SER 49 Ca -0.00 -0.31 0.29 0.00 0.48 0.00 0.00 55.95 56.41 1xs3 s SER 49 Cb -0.13 0.61 1.22 0.00 0.10 0.00 0.00 66.02 67.82 1xs3 s SER 49 CO -0.05 -1.07 1.94 1.55 0.98 0.00 0.00 173.24 176.59 1xs3 h PRO 50 N 2.00 0.00 -0.85 4.02 0.13 -1.90 -3.20 132.00 132.20 1xs3 h PRO 50 Ca -0.25 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.09 1xs3 h PRO 50 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1xs3 h PRO 50 CO 0.29 0.11 0.26 0.00 -0.23 0.00 0.00 178.00 178.43 1xs3 h ALA 51 N 1.89 1.24 -0.36 -0.56 0.00 -1.96 0.46 119.26 119.98 1xs3 h ALA 51 Ca -0.00 0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 1xs3 h ALA 51 Cb 0.58 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1xs3 h ALA 51 CO 0.01 -0.40 0.28 1.19 0.00 0.00 0.00 179.25 180.33 1xs3 n PHE 52 N -5.16 1.13 -1.66 0.00 3.01 -1.21 -4.89 117.46 108.68 1xs3 n PHE 52 Ca 0.20 -1.39 -0.50 0.00 1.01 0.00 0.00 57.45 56.76 1xs3 n PHE 52 Cb 0.62 -0.69 -0.05 0.00 -0.01 0.00 0.00 39.48 39.35 1xs3 n PHE 52 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1xs3 n VAL 53 N 0.32 0.20 0.00 -4.37 3.14 0.16 -3.74 118.33 114.04 1xs3 n VAL 53 Ca 0.22 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1xs3 n VAL 53 Cb 0.72 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 1xs3 n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xs3 n GLY 54 N 3.57 1.70 3.06 7.55 0.00 -1.26 -4.56 105.19 115.26 1xs3 n GLY 54 Ca 0.20 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1xs3 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xs3 s LYS 55 N 0.00 2.22 -0.29 1.61 3.01 -1.25 -5.00 119.74 120.03 1xs3 s LYS 55 Ca 0.00 -1.32 -0.29 0.00 -1.01 0.00 0.00 55.97 53.36 1xs3 s LYS 55 Cb 0.00 -2.87 -0.06 0.00 -1.01 0.00 0.00 37.83 33.89 1xs3 s LYS 55 CO 0.00 -0.56 2.26 0.00 0.51 0.00 0.00 175.35 177.56 1xs3 n ALA 56 N 4.45 1.52 -1.24 5.17 0.00 -1.25 -4.94 120.51 124.21 1xs3 n ALA 56 Ca -0.14 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 1xs3 n ALA 56 Cb 0.42 -2.92 0.11 0.00 0.00 0.00 0.00 19.45 17.05 1xs3 n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xs3 s PRO 57 N 6.73 1.95 0.56 0.00 0.04 -1.26 -4.82 135.00 138.21 1xs3 s PRO 57 Ca 1.02 1.06 0.25 0.00 0.04 0.00 0.00 61.00 63.37 1xs3 s PRO 57 Cb -0.38 -1.87 1.56 0.00 0.04 0.00 0.00 34.50 33.85 1xs3 s PRO 57 CO 0.35 -1.83 2.13 1.25 0.04 0.00 0.00 177.00 178.94 1xs3 h LEU 58 N -1.26 0.00 0.18 -3.56 5.85 -1.98 -2.04 115.31 112.49 1xs3 h LEU 58 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1xs3 h LEU 58 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1xs3 h LEU 58 CO 0.52 0.00 -0.11 0.00 -0.34 0.00 0.00 178.44 178.51 1xs3 h ALA 59 N 1.86 -0.27 -0.30 1.25 0.00 -1.98 0.27 119.26 120.09 1xs3 h ALA 59 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1xs3 h ALA 59 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xs3 h ALA 59 CO -0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 179.25 178.36 1xs3 h ARG 60 N -0.29 0.68 0.10 0.00 2.47 -1.78 -0.29 114.38 115.28 1xs3 h ARG 60 Ca -0.01 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1xs3 h ARG 60 Cb 0.24 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1xs3 h ARG 60 CO 0.01 0.94 -0.08 1.25 0.56 0.00 0.00 179.97 182.65 1xs3 h HIS 61 N 0.43 -0.21 -0.54 3.04 2.76 -1.28 -1.51 115.15 117.84 1xs3 h HIS 61 Ca 0.06 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1xs3 h HIS 61 Cb 0.78 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 1xs3 h HIS 61 CO 0.07 -0.13 -0.04 -0.09 -1.30 0.00 0.00 177.93 176.44 1xs3 h ARG 62 N -0.20 0.94 -0.33 5.26 2.43 -0.48 -2.31 114.38 119.69 1xs3 h ARG 62 Ca -0.00 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1xs3 h ARG 62 Cb 0.18 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1xs3 h ARG 62 CO -0.01 0.95 0.07 0.52 -1.51 0.00 0.00 179.97 180.00 1xs3 h MET 63 N 0.86 0.19 -0.64 0.20 2.86 -0.77 -1.10 114.93 116.53 1xs3 h MET 63 Ca 0.15 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1xs3 h MET 63 Cb 0.56 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1xs3 h MET 63 CO 0.03 0.12 0.08 -0.39 1.06 0.00 0.00 176.91 177.82 1xs3 h VAL 64 N 0.19 1.26 -0.99 -2.22 -1.51 -1.17 -0.59 116.25 111.22 1xs3 h VAL 64 Ca 0.15 -1.05 0.02 0.00 -1.23 0.00 0.00 66.70 64.59 1xs3 h VAL 64 Cb 0.16 0.68 -0.05 0.00 -2.13 0.00 0.00 31.29 29.95 1xs3 h VAL 64 CO -0.19 0.39 0.65 1.88 -1.23 0.00 0.00 177.57 179.07 1xs3 h TYR 65 N 1.00 1.24 -0.02 5.19 0.05 -0.83 0.16 116.97 123.76 1xs3 h TYR 65 Ca 0.19 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.93 1xs3 h TYR 65 Cb 0.46 -0.42 0.01 0.00 1.01 0.00 0.00 36.73 37.79 1xs3 h TYR 65 CO 0.03 0.76 -0.29 0.00 -1.05 0.00 0.00 178.16 177.61 1xs3 h ALA 66 N 1.39 0.06 -0.12 3.88 0.00 -0.98 -2.70 119.26 120.79 1xs3 h ALA 66 Ca 0.37 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xs3 h ALA 66 Cb -0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xs3 h ALA 66 CO -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 1xs3 h THR 67 N -0.39 1.09 -0.00 0.00 1.03 -0.91 -0.10 112.91 113.63 1xs3 h THR 67 Ca -0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1xs3 h THR 67 Cb 1.01 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.10 1xs3 h THR 67 CO 0.06 0.11 -0.07 0.18 -0.01 0.00 0.00 175.52 175.79 1xs3 n LEU 68 N -4.43 0.33 -3.27 0.00 4.32 0.56 -4.71 117.00 109.80 1xs3 n LEU 68 Ca -0.01 0.06 -0.08 0.00 -0.02 0.00 0.00 56.01 55.97 1xs3 n LEU 68 Cb 0.15 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1xs3 n LEU 68 CO 0.36 0.06 0.18 0.61 -1.22 0.00 0.00 177.39 177.37 1xs3 n GLY 69 N 1.25 -1.25 0.14 -0.72 0.00 -0.05 -4.95 105.19 99.61 1xs3 n GLY 69 Ca 0.16 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.46 1xs3 n GLY 69 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xs3 h GLU 70 N 0.15 0.38 -0.29 1.61 5.08 -1.72 -3.31 114.58 116.48 1xs3 h GLU 70 Ca -0.20 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 1xs3 h GLU 70 Cb 1.12 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1xs3 h GLU 70 CO 0.33 1.31 0.00 1.28 -1.00 0.00 0.00 179.01 180.93 1xs3 n LEU 71 N -3.64 1.57 0.08 1.33 4.32 -1.26 -2.73 117.00 116.67 1xs3 n LEU 71 Ca -0.25 -0.78 0.11 0.00 -0.02 0.00 0.00 56.01 55.07 1xs3 n LEU 71 Cb 1.05 -0.19 0.44 0.00 -1.62 0.00 0.00 43.42 43.10 1xs3 n LEU 71 CO 0.50 0.39 0.83 0.23 -1.22 0.00 0.00 177.39 178.13 1xs3 n MET 72 N 0.36 0.14 0.00 3.23 2.81 -1.25 -4.33 117.12 118.08 1xs3 n MET 72 Ca 0.10 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1xs3 n MET 72 Cb 0.25 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1xs3 n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xs3 n GLY 73 N 0.28 0.05 0.00 3.03 0.00 -1.25 -4.87 105.19 102.43 1xs3 n GLY 73 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xs3 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs3 n GLY 74 N -0.07 1.74 3.67 -0.02 0.00 -1.18 -4.58 105.19 104.74 1xs3 n GLY 74 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1xs3 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs3 s ALA 75 N 0.00 3.52 0.31 4.61 0.00 -1.10 -4.13 121.76 124.97 1xs3 s ALA 75 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.01 1xs3 s ALA 75 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1xs3 s ALA 75 CO 0.00 -0.61 0.05 0.42 0.00 0.00 0.00 175.76 175.62 1xs3 s ILE 76 N 2.05 3.05 -1.09 0.00 1.09 -1.26 -4.99 121.20 120.05 1xs3 s ILE 76 Ca 0.36 -1.85 0.01 0.00 -1.10 0.00 0.00 60.65 58.07 1xs3 s ILE 76 Cb -0.16 -2.88 0.01 0.00 -1.06 0.00 0.00 42.46 38.37 1xs3 s ILE 76 CO 0.12 -0.25 1.00 1.41 -0.10 0.00 0.00 174.94 177.11 1xs3 n HIS 77 N -1.01 0.00 0.59 3.97 8.25 -1.26 -2.07 115.22 123.69 1xs3 n HIS 77 Ca -0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.39 1xs3 n HIS 77 Cb 0.61 -0.45 0.05 0.00 1.12 0.00 0.00 29.99 31.31 1xs3 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xs3 n ALA 78 N -1.45 3.00 -2.76 -1.41 0.00 -1.26 -4.86 120.51 111.78 1xs3 n ALA 78 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 1xs3 n ALA 78 Cb 0.01 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1xs3 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xs3 s LEU 79 N -0.61 4.41 -0.23 0.00 2.01 -0.88 -3.93 118.68 119.46 1xs3 s LEU 79 Ca 0.11 0.62 0.01 0.00 0.01 0.00 0.00 54.13 54.88 1xs3 s LEU 79 Cb 0.09 -2.28 0.03 0.00 0.01 0.00 0.00 46.19 44.05 1xs3 s LEU 79 CO 0.02 0.37 -0.12 -1.10 1.01 0.00 0.00 176.35 176.53 1xs3 s GLN 80 N -1.11 2.74 -0.14 1.70 -0.21 -1.21 -5.02 119.66 116.40 1xs3 s GLN 80 Ca 0.19 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 1xs3 s GLN 80 Cb -0.13 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1xs3 s GLN 80 CO 0.08 -0.37 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.67 1xs3 s LEU 81 N 1.25 1.30 -0.12 2.90 1.98 -1.25 -0.62 118.68 124.12 1xs3 s LEU 81 Ca -0.00 -0.50 0.01 0.00 -2.89 0.00 0.00 54.13 50.74 1xs3 s LEU 81 Cb -0.16 -0.78 0.02 0.00 0.66 0.00 0.00 46.19 45.93 1xs3 s LEU 81 CO -0.08 -0.18 -0.13 -0.54 -1.89 0.00 0.00 176.35 173.53 1xs3 s LYS 82 N 1.73 2.08 -0.32 1.98 3.01 -1.23 -5.06 119.74 121.94 1xs3 s LYS 82 Ca 0.02 -0.49 -0.01 0.00 -1.01 0.00 0.00 55.97 54.49 1xs3 s LYS 82 Cb -0.14 -1.89 0.07 0.00 -1.01 0.00 0.00 37.83 34.85 1xs3 s LYS 82 CO -0.07 -0.18 0.02 0.95 0.51 0.00 0.00 175.35 176.58 1xs3 s THR 83 N 1.34 2.87 0.22 2.17 -4.23 -1.26 -2.83 115.64 113.91 1xs3 s THR 83 Ca 0.00 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 1xs3 s THR 83 Cb -0.14 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 1xs3 s THR 83 CO -0.07 -0.24 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.92 1xs3 s LEU 84 N 1.18 2.48 0.82 4.79 2.01 -1.24 -4.75 118.68 123.96 1xs3 s LEU 84 Ca -0.02 -1.09 -0.11 0.00 0.01 0.00 0.00 54.13 52.92 1xs3 s LEU 84 Cb -0.20 -0.56 0.08 0.00 0.01 0.00 0.00 46.19 45.52 1xs3 s LEU 84 CO -0.03 -0.29 1.09 0.42 1.01 0.00 0.00 176.35 178.55 1xs3 s THR 85 N -3.10 3.09 -1.25 5.49 -4.23 -1.25 -1.21 115.64 113.18 1xs3 s THR 85 Ca 0.24 0.36 0.14 0.00 -1.18 0.00 0.00 61.69 61.25 1xs3 s THR 85 Cb 0.02 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1xs3 s THR 85 CO 0.07 -0.46 1.42 -0.81 -0.54 0.00 0.00 174.62 174.30 1xs3 n PRO 86 N -3.58 0.12 0.03 3.99 -0.04 -1.25 -2.40 135.00 131.87 1xs3 n PRO 86 Ca 0.07 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1xs3 n PRO 86 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1xs3 n PRO 86 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xs3 h ASP 87 N 0.00 0.05 -0.22 3.54 1.82 -1.94 -3.29 116.42 116.38 1xs3 h ASP 87 Ca 0.00 -0.07 -0.10 0.00 -0.39 0.00 0.00 57.03 56.47 1xs3 h ASP 87 Cb 0.18 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.11 1xs3 h ASP 87 CO 0.00 1.06 0.13 -0.62 -1.61 0.00 0.00 179.24 178.20 1xs3 n GLU 88 N -3.24 1.41 0.00 0.28 -0.58 -1.01 -5.26 120.64 112.24 1xs3 n GLU 88 Ca -0.09 -0.73 0.04 0.00 -0.42 0.00 0.00 57.16 55.96 1xs3 n GLU 88 Cb 1.00 -1.35 0.03 0.00 -0.57 0.00 0.00 31.44 30.55 1xs3 n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65