#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0y s THR 2 N 0.00 3.85 -0.13 1.12 2.01 -1.26 -4.54 115.64 116.69 1t0y s THR 2 Ca 0.00 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 62.82 1t0y s THR 2 Cb 0.00 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1t0y s THR 2 CO 0.00 -0.48 0.33 -0.70 -0.69 0.00 0.00 174.62 173.08 1t0y s GLU 3 N 4.73 0.37 -0.00 4.92 2.12 -1.26 -5.05 118.70 124.52 1t0y s GLU 3 Ca 0.66 0.51 0.02 0.00 0.36 0.00 0.00 54.97 56.51 1t0y s GLU 3 Cb -0.19 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 1t0y s GLU 3 CO 0.29 -0.07 -0.08 0.14 -0.54 0.00 0.00 175.26 175.00 1t0y s VAL 4 N 0.42 0.60 0.02 3.70 -7.23 -1.26 0.24 120.40 116.89 1t0y s VAL 4 Ca -0.02 -0.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 1t0y s VAL 4 Cb -0.04 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1t0y s VAL 4 CO -0.02 0.15 -0.19 -0.72 -0.31 0.00 0.00 175.10 174.00 1t0y s TYR 5 N -0.23 1.72 -0.07 2.82 1.13 0.97 -4.85 117.35 118.85 1t0y s TYR 5 Ca 0.02 -0.35 -0.21 0.00 -1.41 0.00 0.00 57.07 55.13 1t0y s TYR 5 Cb -0.03 -1.06 -0.04 0.00 -1.10 0.00 0.00 41.96 39.72 1t0y s TYR 5 CO -0.00 0.03 0.59 0.34 -2.51 0.00 0.00 175.55 174.00 1t0y s ASP 6 N -0.83 6.88 0.15 -0.18 2.15 -1.26 -1.18 116.67 122.40 1t0y s ASP 6 Ca 0.07 1.05 0.10 0.00 0.43 0.00 0.00 52.55 54.19 1t0y s ASP 6 Cb -0.08 -2.35 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1t0y s ASP 6 CO 0.01 -0.01 -0.22 -0.76 -0.17 0.00 0.00 175.17 174.02 1t0y s LEU 7 N 0.44 2.38 -0.22 -1.34 1.02 0.17 -1.45 118.68 119.68 1t0y s LEU 7 Ca 0.31 -0.80 -0.04 0.00 0.02 0.00 0.00 54.13 53.62 1t0y s LEU 7 Cb -0.17 -0.99 -0.01 0.00 0.02 0.00 0.00 46.19 45.04 1t0y s LEU 7 CO 0.15 0.06 -0.02 -0.70 0.02 0.00 0.00 176.35 175.86 1t0y s GLU 8 N -2.42 3.43 -0.15 1.70 2.12 -1.24 -0.38 118.70 121.77 1t0y s GLU 8 Ca 0.14 -0.60 -0.14 0.00 0.36 0.00 0.00 54.97 54.73 1t0y s GLU 8 Cb -0.08 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1t0y s GLU 8 CO 0.07 -0.18 0.31 0.42 -0.54 0.00 0.00 175.26 175.34 1t0y s ILE 9 N 1.46 5.29 0.11 -3.70 -1.09 0.11 -1.49 121.20 121.89 1t0y s ILE 9 Ca 0.05 0.60 0.09 0.00 -2.23 0.00 0.00 60.65 59.16 1t0y s ILE 9 Cb -0.14 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1t0y s ILE 9 CO -0.02 0.39 -0.23 0.42 -1.23 0.00 0.00 174.94 174.27 1t0y s THR 10 N 0.41 1.90 0.18 2.92 -4.23 0.37 -0.71 115.64 116.49 1t0y s THR 10 Ca 0.18 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1t0y s THR 10 Cb -0.13 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1t0y s THR 10 CO 0.05 -0.01 0.05 -0.89 -0.54 0.00 0.00 174.62 173.28 1t0y s THR 11 N -1.12 0.46 -0.17 3.99 2.01 -1.26 0.22 115.64 119.76 1t0y s THR 11 Ca 0.09 -1.97 0.17 0.00 0.31 0.00 0.00 61.69 60.29 1t0y s THR 11 Cb -0.10 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1t0y s THR 11 CO 0.05 -0.33 1.20 -1.13 -0.69 0.00 0.00 174.62 173.71 1t0y h ASN 12 N 2.66 0.00 0.89 3.53 -1.24 -1.85 -3.24 115.58 116.34 1t0y h ASN 12 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1t0y h ASN 12 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1t0y h ASN 12 CO 0.61 0.44 -0.38 0.00 -1.29 0.00 0.00 177.43 176.80 1t0y n ALA 13 N -2.27 2.88 -2.50 1.57 0.00 -1.26 -4.85 120.51 114.08 1t0y n ALA 13 Ca -0.02 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 1t0y n ALA 13 Cb 0.74 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 1t0y n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t0y s THR 14 N -3.08 3.03 -0.11 0.00 -4.23 -1.22 -5.00 115.64 105.02 1t0y s THR 14 Ca 0.09 -0.73 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 1t0y s THR 14 Cb 0.15 -2.19 -0.27 0.00 1.34 0.00 0.00 72.50 71.54 1t0y s THR 14 CO 0.66 0.59 0.42 -0.78 -0.54 0.00 0.00 174.62 174.97 1t0y h ASP 15 N 5.40 0.43 -3.38 3.99 3.58 -1.88 -3.39 116.42 121.17 1t0y h ASP 15 Ca -0.45 -0.93 -0.59 0.00 0.42 0.00 0.00 57.03 55.47 1t0y h ASP 15 Cb 1.15 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.97 1t0y h ASP 15 CO 0.50 1.82 0.52 -0.36 -2.88 0.00 0.00 179.24 178.85 1t0y s PHE 16 N -2.55 3.21 0.51 0.28 0.08 -1.26 -5.03 117.98 113.21 1t0y s PHE 16 Ca -0.21 0.96 -0.22 0.00 0.12 0.00 0.00 56.93 57.58 1t0y s PHE 16 Cb 0.06 -3.31 -0.06 0.00 -0.57 0.00 0.00 43.02 39.14 1t0y s PHE 16 CO 0.78 -0.59 1.20 -2.14 -0.10 0.00 0.00 175.22 174.37 1t0y s PRO 17 N 3.12 3.47 -0.13 0.24 0.02 -1.26 -4.89 135.00 135.56 1t0y s PRO 17 Ca 0.36 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.24 1t0y s PRO 17 Cb -0.14 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.15 1t0y s PRO 17 CO 0.12 -0.81 -0.15 1.41 -0.33 0.00 0.00 177.00 177.24 1t0y s MET 18 N -2.91 2.28 0.24 5.54 1.75 0.12 -4.90 119.30 121.41 1t0y s MET 18 Ca 0.68 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 54.26 1t0y s MET 18 Cb -0.30 -2.01 -0.09 0.00 2.84 0.00 0.00 34.83 35.26 1t0y s MET 18 CO 0.36 -0.15 1.00 -1.83 -0.65 0.00 0.00 175.02 173.74 1t0y s GLU 19 N 1.24 4.77 0.05 4.11 -1.05 -1.26 0.08 118.70 126.64 1t0y s GLU 19 Ca -0.01 1.59 -0.06 0.00 -0.15 0.00 0.00 54.97 56.34 1t0y s GLU 19 Cb -0.14 -3.26 -0.01 0.00 -0.44 0.00 0.00 34.13 30.28 1t0y s GLU 19 CO -0.06 0.38 0.12 0.15 0.95 0.00 0.00 175.26 176.80 1t0y s LYS 20 N -1.13 0.65 -0.24 -4.83 1.02 0.49 -4.94 119.74 110.77 1t0y s LYS 20 Ca 0.43 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.60 1t0y s LYS 20 Cb -0.28 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1t0y s LYS 20 CO 0.35 -0.18 -0.06 0.15 -0.92 0.00 0.00 175.35 174.69 1t0y s LYS 21 N -2.91 3.04 0.05 1.68 3.01 -1.26 0.43 119.74 123.77 1t0y s LYS 21 Ca -0.02 -0.85 0.07 0.00 -1.01 0.00 0.00 55.97 54.16 1t0y s LYS 21 Cb 0.01 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.82 1t0y s LYS 21 CO -0.06 -0.32 -0.20 0.71 0.51 0.00 0.00 175.35 175.99 1t0y s TYR 22 N 1.38 1.72 0.25 3.18 2.02 -0.32 -4.93 117.35 120.65 1t0y s TYR 22 Ca 0.03 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 1t0y s TYR 22 Cb -0.16 -1.01 -0.09 0.00 -0.40 0.00 0.00 41.96 40.30 1t0y s TYR 22 CO -0.04 0.10 1.23 -2.14 -1.57 0.00 0.00 175.55 173.13 1t0y s PRO 23 N -1.31 4.47 0.57 -1.71 0.02 -1.26 -0.02 135.00 135.76 1t0y s PRO 23 Ca 0.06 1.99 0.36 0.00 0.02 0.00 0.00 61.00 63.43 1t0y s PRO 23 Cb -0.09 -3.17 1.57 0.00 0.02 0.00 0.00 34.50 32.83 1t0y s PRO 23 CO 0.02 -0.07 2.06 0.00 -0.33 0.00 0.00 177.00 178.68 1t0y h ALA 24 N 4.39 1.00 -0.05 -1.55 0.00 -0.55 -2.11 119.26 120.40 1t0y h ALA 24 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t0y h ALA 24 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1t0y h ALA 24 CO 0.71 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1t0y n GLY 25 N -0.18 -0.31 3.87 0.00 0.00 -1.26 -0.50 105.19 106.82 1t0y n GLY 25 Ca -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1t0y n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0y s MET 26 N -1.95 3.73 0.46 1.61 0.00 -0.80 -4.81 119.30 117.55 1t0y s MET 26 Ca 0.38 0.57 -0.13 0.00 0.00 0.00 0.00 55.69 56.51 1t0y s MET 26 Cb 0.19 -2.28 -0.07 0.00 0.00 0.00 0.00 34.83 32.68 1t0y s MET 26 CO 0.31 -0.22 0.87 -1.54 0.00 0.00 0.00 175.02 174.44 1t0y s SER 27 N -3.52 6.54 0.44 1.11 1.04 -1.26 -0.52 113.70 117.52 1t0y s SER 27 Ca 0.53 1.32 0.10 0.00 0.48 0.00 0.00 55.95 58.37 1t0y s SER 27 Cb -0.10 -2.40 0.97 0.00 0.10 0.00 0.00 66.02 64.59 1t0y s SER 27 CO 0.38 -0.51 2.07 0.25 0.98 0.00 0.00 173.24 176.42 1t0y h LEU 28 N 1.00 0.35 -0.99 2.42 6.46 -1.66 -2.69 115.31 120.20 1t0y h LEU 28 Ca -0.47 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1t0y h LEU 28 Cb 1.19 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.98 1t0y h LEU 28 CO 0.63 0.25 0.61 0.78 -0.62 0.00 0.00 178.44 180.08 1t0y h ASN 29 N 0.41 1.14 0.42 1.25 2.35 -1.89 0.34 115.58 119.59 1t0y h ASN 29 Ca 0.13 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 1t0y h ASN 29 Cb 0.01 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1t0y h ASN 29 CO -0.03 0.85 -0.82 -0.78 -1.65 0.00 0.00 177.43 175.00 1t0y h ASP 30 N 1.32 0.38 -0.26 5.81 1.82 -1.84 0.45 116.42 124.10 1t0y h ASP 30 Ca 0.35 -0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1t0y h ASP 30 Cb -0.10 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1t0y h ASP 30 CO -0.07 1.05 -0.05 0.25 -1.61 0.00 0.00 179.24 178.80 1t0y h LEU 31 N 0.19 0.50 -0.04 2.28 6.46 -1.24 -2.06 115.31 121.41 1t0y h LEU 31 Ca -0.04 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1t0y h LEU 31 Cb 1.42 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 41.18 1t0y h LEU 31 CO 0.13 0.74 -0.18 0.11 -0.62 0.00 0.00 178.44 178.62 1t0y h LYS 32 N 0.25 -0.27 0.00 1.25 1.79 -0.20 -0.31 116.57 119.09 1t0y h LYS 32 Ca 0.07 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1t0y h LYS 32 Cb 0.52 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1t0y h LYS 32 CO 0.02 -0.18 -0.02 -0.22 -1.08 0.00 0.00 179.45 177.97 1t0y h LYS 33 N -0.28 0.00 0.08 3.15 3.64 -0.73 1.08 116.57 123.51 1t0y h LYS 33 Ca 0.07 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.19 1t0y h LYS 33 Cb 0.37 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1t0y h LYS 33 CO -0.20 0.02 -1.06 -0.22 -2.27 0.00 0.00 179.45 175.72 1t0y h LYS 34 N 0.00 0.58 0.08 1.90 1.63 -0.64 -2.68 116.57 117.44 1t0y h LYS 34 Ca -0.00 -0.73 -0.00 0.00 -0.85 0.00 0.00 60.65 59.07 1t0y h LYS 34 Cb 0.06 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1t0y h LYS 34 CO 0.00 1.31 -0.04 -0.07 -3.45 0.00 0.00 179.45 177.21 1t0y h LEU 35 N 0.18 -0.09 -1.92 5.20 3.38 0.83 -3.19 115.31 119.70 1t0y h LEU 35 Ca -0.15 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 57.57 1t0y h LEU 35 Cb 1.75 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1t0y h LEU 35 CO 0.20 0.34 0.34 -0.33 0.09 0.00 0.00 178.44 179.09 1t0y h GLU 36 N -0.54 0.08 -0.80 1.13 4.39 0.98 0.53 114.58 120.36 1t0y h GLU 36 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1t0y h GLU 36 Cb 0.45 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1t0y h GLU 36 CO 0.02 0.06 0.44 1.25 -1.16 0.00 0.00 179.01 179.62 1t0y h LEU 37 N 0.09 0.98 0.06 1.33 5.85 -1.46 0.48 115.31 122.63 1t0y h LEU 37 Ca 0.23 -0.08 -0.32 0.00 0.84 0.00 0.00 57.88 58.56 1t0y h LEU 37 Cb 0.80 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1t0y h LEU 37 CO -0.02 0.79 -1.76 0.58 -0.34 0.00 0.00 178.44 177.68 1t0y h VAL 38 N 1.11 0.83 0.00 1.05 2.07 -0.60 -3.37 116.25 117.35 1t0y h VAL 38 Ca 0.28 -2.61 -0.17 0.00 0.82 0.00 0.00 66.70 65.02 1t0y h VAL 38 Cb 0.01 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1t0y h VAL 38 CO -0.05 0.68 -0.80 0.58 0.02 0.00 0.00 177.57 178.00 1t0y h VAL 39 N 0.03 1.33 -0.13 2.57 2.07 -0.03 -3.47 116.25 118.62 1t0y h VAL 39 Ca -0.32 -2.89 -0.05 0.00 0.82 0.00 0.00 66.70 64.26 1t0y h VAL 39 Cb 2.01 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 34.42 1t0y h VAL 39 CO 0.09 0.76 -0.05 0.61 0.02 0.00 0.00 177.57 179.00 1t0y n GLY 40 N 1.30 0.53 1.67 2.17 0.00 0.17 -5.00 105.19 106.02 1t0y n GLY 40 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1t0y n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t0y n THR 41 N -2.64 0.00 -4.20 2.61 -1.04 -1.24 -5.06 114.28 102.71 1t0y n THR 41 Ca -0.03 -0.87 -0.24 0.00 -2.04 0.00 0.00 64.05 60.86 1t0y n THR 41 Cb 0.23 -0.61 -0.07 0.00 -1.82 0.00 0.00 70.33 68.07 1t0y n THR 41 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1t0y s THR 42 N -0.78 3.90 0.16 12.58 -4.23 -1.26 -4.85 115.64 121.15 1t0y s THR 42 Ca 0.21 -1.52 -0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1t0y s THR 42 Cb -0.02 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.80 1t0y s THR 42 CO 0.14 -0.24 1.80 0.58 -0.54 0.00 0.00 174.62 176.36 1t0y h VAL 43 N 2.03 1.05 -0.13 2.29 2.07 -1.96 -1.66 116.25 119.93 1t0y h VAL 43 Ca -0.47 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.71 1t0y h VAL 43 Cb 1.22 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1t0y h VAL 43 CO 0.60 0.09 -0.64 -0.78 0.02 0.00 0.00 177.57 176.85 1t0y h ASP 44 N 0.48 0.58 -0.04 0.57 3.58 -2.03 -3.10 116.42 116.45 1t0y h ASP 44 Ca 0.15 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1t0y h ASP 44 Cb -0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1t0y h ASP 44 CO -0.07 1.07 0.00 -1.20 -2.88 0.00 0.00 179.24 176.17 1t0y n SER 45 N -3.91 1.21 -4.10 2.28 7.64 -1.08 -4.63 113.62 111.03 1t0y n SER 45 Ca -0.04 -1.46 -0.33 0.00 1.01 0.00 0.00 58.87 58.06 1t0y n SER 45 Cb 0.66 -0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.68 1t0y n SER 45 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1t0y s MET 46 N -1.96 2.55 0.05 1.43 -2.45 -0.65 -0.37 119.30 117.90 1t0y s MET 46 Ca 0.38 -1.14 -0.14 0.00 -1.25 0.00 0.00 55.69 53.54 1t0y s MET 46 Cb 0.20 -2.80 -0.06 0.00 1.25 0.00 0.00 34.83 33.42 1t0y s MET 46 CO 0.32 -0.44 0.44 0.50 1.05 0.00 0.00 175.02 176.89 1t0y s ARG 47 N 1.19 3.91 -0.20 4.11 6.06 0.11 -4.85 118.95 129.27 1t0y s ARG 47 Ca -0.03 0.40 -0.02 0.00 -2.50 0.00 0.00 55.73 53.57 1t0y s ARG 47 Cb -0.17 -3.13 0.00 0.00 0.06 0.00 0.00 34.95 31.71 1t0y s ARG 47 CO -0.07 0.63 -0.11 0.42 -2.50 0.00 0.00 175.30 173.66 1t0y s ILE 48 N -1.21 2.81 0.21 4.11 -1.09 -1.26 -0.62 121.20 124.15 1t0y s ILE 48 Ca 0.28 -0.69 0.09 0.00 -2.23 0.00 0.00 60.65 58.10 1t0y s ILE 48 Cb -0.16 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1t0y s ILE 48 CO 0.16 0.47 -0.05 -1.10 -1.23 0.00 0.00 174.94 173.18 1t0y s GLN 49 N 1.40 2.19 -0.18 2.79 -0.21 0.19 -2.14 119.66 123.69 1t0y s GLN 49 Ca 0.05 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.15 1t0y s GLN 49 Cb -0.14 -2.19 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1t0y s GLN 49 CO -0.07 0.42 -0.16 -1.17 -2.12 0.00 0.00 175.29 172.18 1t0y s LEU 50 N -3.10 2.37 0.00 2.90 0.20 0.54 -0.01 118.68 121.59 1t0y s LEU 50 Ca 0.27 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.63 1t0y s LEU 50 Cb -0.08 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 1t0y s LEU 50 CO 0.17 0.03 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.65 1t0y s PHE 51 N 1.14 2.26 0.26 5.38 0.08 0.22 -0.95 117.98 126.37 1t0y s PHE 51 Ca 0.01 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 1t0y s PHE 51 Cb -0.14 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 1t0y s PHE 51 CO -0.06 0.02 0.36 -0.40 -0.10 0.00 0.00 175.22 175.03 1t0y n ASP 52 N 2.22 0.03 0.31 1.36 5.68 -0.84 -0.28 116.55 125.03 1t0y n ASP 52 Ca -0.16 -1.13 0.18 0.00 -0.50 0.00 0.00 54.79 53.17 1t0y n ASP 52 Cb 0.52 -0.27 1.03 0.00 -1.14 0.00 0.00 41.12 41.26 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1t0y h GLY 53 N -0.47 0.00 0.00 6.12 0.00 -1.91 -3.29 103.07 103.53 1t0y h GLY 53 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1t0y h GLY 53 CO 0.08 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.84 1t0y n ASP 54 N -3.56 0.00 0.00 0.19 9.92 -1.26 -5.03 116.55 116.81 1t0y n ASP 54 Ca -0.03 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1t0y n ASP 54 Cb 0.08 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t0y n ASP 55 N -1.85 0.00 -4.58 -2.24 2.03 -1.24 -5.15 116.55 103.52 1t0y n ASP 55 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1t0y n ASP 55 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y n GLN 56 N -0.18 0.82 -2.68 -0.67 3.00 -1.26 -4.63 117.38 111.78 1t0y n GLN 56 Ca 0.00 0.32 -0.43 0.00 -0.01 0.00 0.00 57.00 56.88 1t0y n GLN 56 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 30.24 28.16 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1t0y s LEU 57 N -1.39 4.05 -0.06 1.08 2.96 -1.26 -1.99 118.68 122.06 1t0y s LEU 57 Ca 0.74 1.22 -0.16 0.00 -0.22 0.00 0.00 54.13 55.71 1t0y s LEU 57 Cb -0.43 -3.49 -0.30 0.00 0.50 0.00 0.00 46.19 42.47 1t0y s LEU 57 CO 0.49 -0.72 0.72 0.50 -1.32 0.00 0.00 176.35 176.02 1t0y h LYS 58 N 7.69 0.34 0.00 1.98 3.11 -1.38 -3.48 116.57 124.83 1t0y h LYS 58 Ca -0.20 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.06 1t0y h LYS 58 Cb 1.06 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 1t0y h LYS 58 CO 0.98 1.28 0.00 0.41 -2.81 0.00 0.00 179.45 179.31 1t0y n GLY 59 N 1.75 -1.33 3.22 5.01 0.00 -1.07 -5.04 105.19 107.74 1t0y n GLY 59 Ca -0.21 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1t0y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t0y s GLU 60 N -1.11 1.80 0.00 1.61 2.12 -1.26 -0.34 118.70 121.52 1t0y s GLU 60 Ca 0.00 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1t0y s GLU 60 Cb 0.00 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.69 1t0y s GLU 60 CO 0.00 0.42 0.08 1.28 -0.54 0.00 0.00 175.26 176.50 1t0y n LEU 61 N 2.66 0.73 0.00 2.70 4.32 -0.91 -4.91 117.00 121.60 1t0y n LEU 61 Ca -0.16 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1t0y n LEU 61 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1t0y n LEU 61 CO 0.24 0.00 0.00 0.41 -1.22 0.00 0.00 177.39 176.82 1t0y n THR 62 N -0.20 0.00 -4.39 -5.08 -1.04 -1.26 -4.98 114.28 97.32 1t0y n THR 62 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1t0y n THR 62 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 1t0y n THR 62 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1t0y s ASP 63 N -3.33 2.12 0.00 8.00 1.01 -1.26 -4.97 116.67 118.24 1t0y s ASP 63 Ca 0.00 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1t0y s ASP 63 Cb 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 43.00 1t0y s ASP 63 CO 0.00 -0.01 0.66 0.61 0.21 0.00 0.00 175.17 176.64 1t0y n GLY 64 N 4.20 0.45 0.00 0.21 0.00 -1.26 -4.39 105.19 104.40 1t0y n GLY 64 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y n ALA 65 N -0.21 2.36 -2.62 4.61 0.00 -1.26 -3.83 120.51 119.56 1t0y n ALA 65 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1t0y n ALA 65 Cb 0.22 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 1t0y n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1t0y s LYS 66 N -2.91 2.07 0.62 0.00 -2.85 -1.26 -5.07 119.74 110.33 1t0y s LYS 66 Ca 0.17 -2.14 -0.08 0.00 -1.00 0.00 0.00 55.97 52.92 1t0y s LYS 66 Cb 0.19 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.28 1t0y s LYS 66 CO 0.51 -0.16 0.96 -1.12 0.10 0.00 0.00 175.35 175.64 1t0y s SER 67 N -3.80 5.66 0.48 0.03 0.01 -1.26 -3.69 113.70 111.13 1t0y s SER 67 Ca 0.29 0.91 0.18 0.00 1.31 0.00 0.00 55.95 58.63 1t0y s SER 67 Cb 0.07 -1.88 1.19 0.00 0.21 0.00 0.00 66.02 65.61 1t0y s SER 67 CO 0.15 -1.09 2.06 -0.07 0.41 0.00 0.00 173.24 174.70 1t0y h LEU 68 N -0.29 0.00 -0.23 2.44 3.38 -0.57 -1.44 115.31 118.60 1t0y h LEU 68 Ca -0.45 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.30 1t0y h LEU 68 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1t0y h LEU 68 CO 0.62 0.12 -0.84 0.50 0.09 0.00 0.00 178.44 178.94 1t0y h LYS 69 N 0.00 0.54 -0.30 1.13 3.64 -1.00 -0.71 116.57 119.87 1t0y h LYS 69 Ca -0.00 -0.50 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1t0y h LYS 69 Cb 0.24 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1t0y h LYS 69 CO 0.02 1.12 -0.07 0.22 -2.27 0.00 0.00 179.45 178.47 1t0y h ASP 70 N 0.35 0.46 0.82 4.20 1.82 -1.61 -1.41 116.42 121.05 1t0y h ASP 70 Ca -0.06 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1t0y h ASP 70 Cb 1.45 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1t0y h ASP 70 CO 0.15 0.58 0.00 0.18 -1.61 0.00 0.00 179.24 178.55 1t0y n LEU 71 N -4.24 0.48 0.00 2.28 4.77 -0.62 -4.86 117.00 114.81 1t0y n LEU 71 Ca 0.01 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1t0y n LEU 71 Cb 0.28 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1t0y n LEU 71 CO 0.39 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1t0y n GLY 72 N 0.34 0.45 3.56 -0.72 0.00 -0.53 -4.99 105.19 103.29 1t0y n GLY 72 Ca 0.03 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1t0y n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t0y s VAL 73 N -2.00 4.71 0.01 1.61 1.01 -0.34 -5.00 120.40 120.40 1t0y s VAL 73 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1t0y s VAL 73 Cb 0.00 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1t0y s VAL 73 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 175.10 175.06 1t0y n ARG 74 N 6.52 1.63 -1.84 2.72 1.74 -1.26 -4.41 116.66 121.76 1t0y n ARG 74 Ca 0.02 -0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.65 1t0y n ARG 74 Cb 0.48 0.02 0.03 0.00 -1.02 0.00 0.00 32.46 31.97 1t0y n ARG 74 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1t0y s ASP 75 N -1.05 5.50 0.00 0.55 -4.77 -1.26 -2.44 116.67 113.20 1t0y s ASP 75 Ca 0.00 2.75 0.00 0.00 -3.30 0.00 0.00 52.55 52.00 1t0y s ASP 75 Cb 0.00 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1t0y s ASP 75 CO 0.00 -1.42 0.00 0.61 0.70 0.00 0.00 175.17 175.06 1t0y n GLY 76 N 0.67 1.89 3.85 2.12 0.00 -0.53 -4.93 105.19 108.27 1t0y n GLY 76 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1t0y n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t0y s TYR 77 N -3.04 3.52 -0.08 1.61 2.02 -1.02 -3.57 117.35 116.79 1t0y s TYR 77 Ca 0.00 1.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1t0y s TYR 77 Cb 0.00 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1t0y s TYR 77 CO 0.00 0.32 -0.14 1.03 -1.57 0.00 0.00 175.55 175.18 1t0y s ARG 78 N -2.37 2.83 -0.18 -0.62 0.52 0.61 -3.64 118.95 116.11 1t0y s ARG 78 Ca 0.44 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.88 1t0y s ARG 78 Cb -0.13 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1t0y s ARG 78 CO 0.20 0.46 0.03 0.42 0.02 0.00 0.00 175.30 176.43 1t0y s ILE 79 N -0.31 4.46 -0.11 1.52 -1.09 -0.56 -0.61 121.20 124.50 1t0y s ILE 79 Ca 0.02 -0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1t0y s ILE 79 Cb -0.13 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.75 1t0y s ILE 79 CO 0.03 0.47 -0.17 -2.28 -1.23 0.00 0.00 174.94 171.75 1t0y s HIS 80 N 0.42 2.70 -0.08 3.97 5.65 0.99 -0.48 115.29 128.46 1t0y s HIS 80 Ca 0.01 -0.72 -0.00 0.00 0.25 0.00 0.00 55.06 54.60 1t0y s HIS 80 Cb -0.13 -1.77 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1t0y s HIS 80 CO 0.01 -0.23 -0.06 0.00 -0.65 0.00 0.00 174.74 173.81 1t0y s ALA 81 N 0.21 3.00 -0.00 1.58 0.00 0.13 0.53 121.76 127.20 1t0y s ALA 81 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1t0y s ALA 81 Cb -0.16 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 1t0y s ALA 81 CO 0.06 0.52 -0.02 0.54 0.00 0.00 0.00 175.76 176.86 1t0y s VAL 82 N -0.63 0.15 -0.12 0.00 0.11 0.21 -2.19 120.40 117.94 1t0y s VAL 82 Ca 0.10 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1t0y s VAL 82 Cb -0.12 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1t0y s VAL 82 CO 0.02 0.05 1.04 -0.62 -3.33 0.00 0.00 175.10 172.25 1t0y s ASP 83 N -0.02 7.20 -0.05 3.54 -1.08 -1.26 0.06 116.67 125.06 1t0y s ASP 83 Ca 0.00 1.55 0.08 0.00 -0.52 0.00 0.00 52.55 53.67 1t0y s ASP 83 Cb -0.01 -2.55 0.20 0.00 -1.46 0.00 0.00 42.92 39.09 1t0y s ASP 83 CO -0.00 -0.50 1.14 0.55 0.52 0.00 0.00 175.17 176.88 1t0y n VAL 84 N 4.67 1.33 0.07 1.11 3.14 0.51 -0.97 118.33 128.19 1t0y n VAL 84 Ca 0.10 -1.36 -0.14 0.00 -2.96 0.00 0.00 64.34 59.98 1t0y n VAL 84 Cb 0.48 0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 33.46 1t0y n VAL 84 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1t0y h THR 85 N 0.71 1.42 -0.01 1.55 2.02 -1.82 -3.03 112.91 113.75 1t0y h THR 85 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1t0y h THR 85 Cb 0.77 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1t0y h THR 85 CO 0.03 0.76 -0.22 0.61 0.37 0.00 0.00 175.52 177.06 1t0y n GLY 86 N 1.03 -0.13 2.75 2.16 0.00 -1.26 -5.02 105.19 104.72 1t0y n GLY 86 Ca -0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 1t0y n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0y n GLY 87 N 0.94 -0.86 3.94 -0.02 0.00 -1.15 -5.03 105.19 103.01 1t0y n GLY 87 Ca 0.05 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 1t0y n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t0y s ASN 88 N -3.00 6.27 -0.47 1.61 2.20 -0.14 -4.50 114.94 116.90 1t0y s ASN 88 Ca 0.16 0.50 -0.02 0.00 -0.94 0.00 0.00 52.86 52.56 1t0y s ASN 88 Cb -0.02 -2.03 0.00 0.00 -2.00 0.00 0.00 41.25 37.20 1t0y s ASN 88 CO 0.56 -0.35 0.47 1.21 -2.94 0.00 0.00 177.10 176.05 1t0y n GLU 89 N -1.87 -1.06 0.00 3.55 4.07 -1.26 -4.70 120.64 119.37 1t0y n GLU 89 Ca -0.04 1.28 0.00 0.00 -0.06 0.00 0.00 57.16 58.34 1t0y n GLU 89 Cb 0.56 -4.46 0.00 0.00 -0.06 0.00 0.00 31.44 27.48 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60