#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 4.00 -0.27 2.03 -4.23 -1.26 -4.93 115.64 110.99 1t0y s THR 2 Ca 0.00 1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 61.48 1t0y s THR 2 Cb 0.00 -4.22 0.11 0.00 1.34 0.00 0.00 72.50 69.73 1t0y s THR 2 CO 0.00 -0.69 0.59 -0.70 -0.54 0.00 0.00 174.62 173.28 1t0y s GLU 3 N 4.65 0.52 0.02 3.99 2.12 -1.26 -5.08 118.70 123.65 1t0y s GLU 3 Ca 0.59 1.31 0.01 0.00 0.36 0.00 0.00 54.97 57.24 1t0y s GLU 3 Cb -0.14 0.65 -0.02 0.00 0.26 0.00 0.00 34.13 34.89 1t0y s GLU 3 CO 0.29 -0.21 -0.04 0.14 -0.54 0.00 0.00 175.26 174.91 1t0y s VAL 4 N 2.68 0.19 -0.09 3.70 -7.23 -1.26 0.21 120.40 118.61 1t0y s VAL 4 Ca -0.05 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1t0y s VAL 4 Cb -0.11 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.54 1t0y s VAL 4 CO -0.17 -0.37 -0.17 -0.31 -0.31 0.00 0.00 175.10 173.76 1t0y s TYR 5 N -1.17 1.96 -0.31 2.82 2.02 0.69 -4.79 117.35 118.57 1t0y s TYR 5 Ca -0.12 -0.80 -0.25 0.00 -0.37 0.00 0.00 57.07 55.53 1t0y s TYR 5 Cb -0.08 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1t0y s TYR 5 CO -0.01 -0.37 0.88 -0.51 -1.57 0.00 0.00 175.55 173.97 1t0y s ASP 6 N 0.61 6.74 0.21 2.29 1.11 -1.26 -1.61 116.67 124.77 1t0y s ASP 6 Ca -0.15 0.77 0.10 0.00 0.18 0.00 0.00 52.55 53.46 1t0y s ASP 6 Cb -0.16 -2.45 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1t0y s ASP 6 CO 0.04 -0.70 -0.20 -1.48 1.18 0.00 0.00 175.17 174.01 1t0y s LEU 7 N 3.17 2.49 -0.24 1.23 0.05 0.11 0.68 118.68 126.16 1t0y s LEU 7 Ca 0.36 -0.92 -0.06 0.00 0.05 0.00 0.00 54.13 53.56 1t0y s LEU 7 Cb -0.14 -1.01 -0.02 0.00 -2.05 0.00 0.00 46.19 42.98 1t0y s LEU 7 CO 0.13 0.03 0.03 -0.70 -0.55 0.00 0.00 176.35 175.29 1t0y s GLU 8 N -3.01 3.51 -0.13 1.48 2.12 0.72 0.11 118.70 123.49 1t0y s GLU 8 Ca 0.22 -0.56 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 1t0y s GLU 8 Cb -0.06 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1t0y s GLU 8 CO 0.10 -0.21 0.31 0.42 -0.54 0.00 0.00 175.26 175.34 1t0y s ILE 9 N 1.56 5.28 0.19 -3.70 -1.09 0.51 -0.03 121.20 123.92 1t0y s ILE 9 Ca 0.06 0.59 0.08 0.00 -2.23 0.00 0.00 60.65 59.15 1t0y s ILE 9 Cb -0.15 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1t0y s ILE 9 CO 0.01 0.43 -0.15 0.42 -1.23 0.00 0.00 174.94 174.42 1t0y s THR 10 N 0.16 1.71 0.22 2.92 -4.23 -0.16 -1.98 115.64 114.28 1t0y s THR 10 Ca 0.18 -2.15 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 1t0y s THR 10 Cb -0.14 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1t0y s THR 10 CO 0.06 -0.56 0.43 -0.89 -0.54 0.00 0.00 174.62 173.12 1t0y s THR 11 N -2.82 0.02 0.22 3.99 2.01 -1.25 0.03 115.64 117.84 1t0y s THR 11 Ca 0.21 -1.29 0.17 0.00 0.31 0.00 0.00 61.69 61.08 1t0y s THR 11 Cb -0.01 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.60 1t0y s THR 11 CO 0.06 -0.10 1.73 -0.55 -0.69 0.00 0.00 174.62 175.08 1t0y h ASN 12 N 2.32 0.00 0.99 3.53 -1.07 -1.87 -2.95 115.58 116.53 1t0y h ASN 12 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1t0y h ASN 12 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1t0y h ASN 12 CO 0.39 0.41 -0.61 0.00 0.07 0.00 0.00 177.43 177.69 1t0y h ALA 13 N 1.59 0.62 -3.29 4.14 0.00 -1.95 -3.44 119.26 116.92 1t0y h ALA 13 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1t0y h ALA 13 Cb 0.89 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.37 1t0y h ALA 13 CO 0.05 0.00 -0.83 0.95 0.00 0.00 0.00 179.25 179.43 1t0y s THR 14 N -3.20 2.49 -0.23 0.00 -4.23 -1.12 -4.96 115.64 104.40 1t0y s THR 14 Ca 0.05 -0.86 0.22 0.00 -1.18 0.00 0.00 61.69 59.93 1t0y s THR 14 Cb 0.12 -2.01 -0.19 0.00 1.34 0.00 0.00 72.50 71.76 1t0y s THR 14 CO 0.72 0.54 0.76 -0.67 -0.54 0.00 0.00 174.62 175.43 1t0y n ASP 15 N 3.69 0.41 -4.69 3.99 2.03 -1.26 -3.80 116.55 116.91 1t0y n ASP 15 Ca -0.19 0.02 -0.39 0.00 0.52 0.00 0.00 54.79 54.75 1t0y n ASP 15 Cb 0.52 1.28 -0.06 0.00 -0.72 0.00 0.00 41.12 42.14 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1t0y s PHE 16 N -3.40 3.44 0.25 -0.67 5.36 -1.26 -5.06 117.98 116.64 1t0y s PHE 16 Ca -0.03 0.85 -0.26 0.00 -0.96 0.00 0.00 56.93 56.53 1t0y s PHE 16 Cb 0.13 -2.63 -0.09 0.00 -0.34 0.00 0.00 43.02 40.09 1t0y s PHE 16 CO 0.85 0.02 0.86 -1.25 -1.46 0.00 0.00 175.22 174.25 1t0y s PRO 17 N 1.18 4.59 -0.09 10.12 0.04 -1.26 -4.86 135.00 144.73 1t0y s PRO 17 Ca 0.26 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1t0y s PRO 17 Cb -0.15 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.37 1t0y s PRO 17 CO 0.10 0.43 -0.06 1.41 0.04 0.00 0.00 177.00 178.92 1t0y s MET 18 N -1.60 1.23 0.20 4.56 1.75 -0.84 -4.94 119.30 119.66 1t0y s MET 18 Ca 0.43 -0.17 -0.24 0.00 -1.25 0.00 0.00 55.69 54.46 1t0y s MET 18 Cb -0.21 -1.31 -0.08 0.00 2.84 0.00 0.00 34.83 36.07 1t0y s MET 18 CO 0.26 -0.20 0.79 -1.83 -0.65 0.00 0.00 175.02 173.38 1t0y s GLU 19 N 1.50 4.51 0.05 4.11 -1.05 -1.26 -0.36 118.70 126.20 1t0y s GLU 19 Ca -0.00 1.12 0.02 0.00 -0.15 0.00 0.00 54.97 55.96 1t0y s GLU 19 Cb -0.13 -3.14 -0.03 0.00 -0.44 0.00 0.00 34.13 30.40 1t0y s GLU 19 CO -0.05 0.51 -0.08 0.15 0.95 0.00 0.00 175.26 176.74 1t0y s LYS 20 N -1.41 0.58 -0.13 -4.83 -0.14 0.12 -4.94 119.74 108.98 1t0y s LYS 20 Ca 0.39 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1t0y s LYS 20 Cb -0.21 -0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 35.60 1t0y s LYS 20 CO 0.25 0.05 -0.15 0.21 -0.76 0.00 0.00 175.35 174.95 1t0y s LYS 21 N -1.78 3.30 0.04 1.68 2.20 -1.26 0.04 119.74 123.97 1t0y s LYS 21 Ca -0.08 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1t0y s LYS 21 Cb -0.09 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1t0y s LYS 21 CO 0.00 0.18 -0.08 0.71 -0.36 0.00 0.00 175.35 175.81 1t0y s TYR 22 N 0.41 0.65 0.47 4.03 1.51 -0.63 -4.95 117.35 118.83 1t0y s TYR 22 Ca -0.12 -0.51 -0.25 0.00 -1.01 0.00 0.00 57.07 55.19 1t0y s TYR 22 Cb -0.16 -0.39 -0.08 0.00 -0.11 0.00 0.00 41.96 41.22 1t0y s TYR 22 CO 0.06 -0.09 1.39 -2.14 -1.11 0.00 0.00 175.55 173.66 1t0y s PRO 23 N -1.61 3.60 0.47 -1.71 0.02 -1.26 -0.22 135.00 134.28 1t0y s PRO 23 Ca -0.10 2.33 0.20 0.00 0.02 0.00 0.00 61.00 63.45 1t0y s PRO 23 Cb -0.10 -2.57 1.15 0.00 0.02 0.00 0.00 34.50 33.00 1t0y s PRO 23 CO 0.00 -0.86 2.00 0.00 -0.33 0.00 0.00 177.00 177.82 1t0y h ALA 24 N 2.17 1.48 -0.26 -1.55 0.00 -0.55 -1.21 119.26 119.34 1t0y h ALA 24 Ca -0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1t0y h ALA 24 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t0y h ALA 24 CO 0.60 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1t0y n GLY 25 N -0.80 0.44 3.88 0.00 0.00 -1.26 -0.67 105.19 106.77 1t0y n GLY 25 Ca -0.02 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.66 3.79 0.30 1.61 0.00 -0.46 -4.81 119.30 118.08 1t0y s MET 26 Ca 0.27 0.42 -0.21 0.00 0.00 0.00 0.00 55.69 56.17 1t0y s MET 26 Cb 0.14 -2.45 -0.09 0.00 0.00 0.00 0.00 34.83 32.43 1t0y s MET 26 CO 0.20 0.05 0.82 -1.54 0.00 0.00 0.00 175.02 174.55 1t0y s SER 27 N -2.99 7.07 0.51 1.11 1.04 -1.26 -0.59 113.70 118.59 1t0y s SER 27 Ca 0.50 1.56 0.30 0.00 0.48 0.00 0.00 55.95 58.79 1t0y s SER 27 Cb -0.10 -2.48 1.28 0.00 0.10 0.00 0.00 66.02 64.82 1t0y s SER 27 CO 0.29 -0.10 1.96 0.25 0.98 0.00 0.00 173.24 176.62 1t0y h LEU 28 N 2.90 0.00 -0.64 2.42 6.46 -1.72 -2.51 115.31 122.22 1t0y h LEU 28 Ca -0.48 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1t0y h LEU 28 Cb 1.19 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1t0y h LEU 28 CO 0.65 0.10 0.33 -1.13 -0.62 0.00 0.00 178.44 177.76 1t0y h ASN 29 N 0.00 0.45 -0.06 1.25 -0.73 -1.77 0.27 115.58 114.99 1t0y h ASN 29 Ca -0.00 0.04 -0.15 0.00 1.87 0.00 0.00 56.30 58.06 1t0y h ASN 29 Cb 0.54 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1t0y h ASN 29 CO 0.01 0.29 -0.48 -0.78 -0.37 0.00 0.00 177.43 176.10 1t0y h ASP 30 N 0.59 0.67 -0.15 1.15 1.82 -1.76 -0.93 116.42 117.82 1t0y h ASP 30 Ca 0.30 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1t0y h ASP 30 Cb 0.24 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1t0y h ASP 30 CO -0.21 1.05 0.09 0.25 -1.61 0.00 0.00 179.24 178.80 1t0y h LEU 31 N 0.49 0.18 -0.59 2.28 7.12 -1.11 -1.59 115.31 122.09 1t0y h LEU 31 Ca 0.03 -0.06 -0.04 0.00 0.13 0.00 0.00 57.88 57.94 1t0y h LEU 31 Cb 1.02 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 1t0y h LEU 31 CO 0.10 0.19 0.22 0.11 -0.13 0.00 0.00 178.44 178.92 1t0y h LYS 32 N 0.16 0.90 -0.68 1.25 1.57 -0.39 -2.39 116.57 117.00 1t0y h LYS 32 Ca 0.05 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1t0y h LYS 32 Cb 0.04 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1t0y h LYS 32 CO -0.01 0.78 0.45 -0.22 -0.57 0.00 0.00 179.45 179.88 1t0y h LYS 33 N 0.83 0.69 -0.29 3.15 1.63 -0.64 0.83 116.57 122.77 1t0y h LYS 33 Ca 0.20 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1t0y h LYS 33 Cb 0.23 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1t0y h LYS 33 CO -0.01 0.45 -0.10 -0.22 -3.45 0.00 0.00 179.45 176.12 1t0y h LYS 34 N 0.71 0.58 -0.26 1.90 1.63 -1.00 -1.50 116.57 118.63 1t0y h LYS 34 Ca 0.29 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1t0y h LYS 34 Cb 0.24 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1t0y h LYS 34 CO -0.09 0.79 0.09 -0.07 -3.45 0.00 0.00 179.45 176.72 1t0y h LEU 35 N 0.34 0.38 -1.84 5.20 3.38 -0.51 -2.44 115.31 119.81 1t0y h LEU 35 Ca 0.07 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1t0y h LEU 35 Cb 0.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1t0y h LEU 35 CO 0.03 0.47 0.15 -0.33 0.09 0.00 0.00 178.44 178.86 1t0y h GLU 36 N 0.26 0.20 -0.10 1.13 4.39 0.62 0.49 114.58 121.59 1t0y h GLU 36 Ca 0.09 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1t0y h GLU 36 Cb 0.23 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1t0y h GLU 36 CO -0.00 0.14 -0.45 1.25 -1.16 0.00 0.00 179.01 178.79 1t0y h LEU 37 N 0.21 0.25 0.12 1.33 5.85 -0.79 0.24 115.31 122.52 1t0y h LEU 37 Ca 0.09 -0.11 -0.33 0.00 0.84 0.00 0.00 57.88 58.37 1t0y h LEU 37 Cb 0.10 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1t0y h LEU 37 CO -0.02 0.67 -1.76 0.58 -0.34 0.00 0.00 178.44 177.57 1t0y h VAL 38 N 0.19 0.78 0.00 1.05 2.07 -0.74 -3.38 116.25 116.22 1t0y h VAL 38 Ca 0.01 -2.35 -0.16 0.00 0.82 0.00 0.00 66.70 65.02 1t0y h VAL 38 Cb 0.87 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1t0y h VAL 38 CO 0.07 0.78 -0.95 0.58 0.02 0.00 0.00 177.57 178.07 1t0y h VAL 39 N -0.13 0.95 0.00 2.57 2.07 -0.16 -3.47 116.25 118.08 1t0y h VAL 39 Ca -0.38 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.67 1t0y h VAL 39 Cb 1.90 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 1t0y h VAL 39 CO 0.06 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1t0y n GLY 40 N 1.32 0.56 3.84 2.17 0.00 0.84 -5.03 105.19 108.90 1t0y n GLY 40 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1t0y n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0y s THR 41 N -2.07 1.93 0.01 2.61 2.01 -1.23 -5.03 115.64 113.87 1t0y s THR 41 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1t0y s THR 41 Cb 0.00 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1t0y s THR 41 CO 0.00 0.00 -0.09 0.42 -0.69 0.00 0.00 174.62 174.26 1t0y s THR 42 N -3.58 3.50 0.35 -0.82 -4.23 -1.26 -4.82 115.64 104.78 1t0y s THR 42 Ca 0.70 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1t0y s THR 42 Cb -0.08 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.54 1t0y s THR 42 CO 0.53 0.40 1.95 0.58 -0.54 0.00 0.00 174.62 177.54 1t0y h VAL 43 N 3.82 1.02 -0.60 2.29 2.07 -1.96 -0.44 116.25 122.44 1t0y h VAL 43 Ca -0.48 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1t0y h VAL 43 Cb 1.17 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1t0y h VAL 43 CO 0.53 0.14 0.01 -0.78 0.02 0.00 0.00 177.57 177.49 1t0y h ASP 44 N 0.79 1.02 -0.05 0.57 3.58 -2.00 -2.93 116.42 117.40 1t0y h ASP 44 Ca 0.33 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1t0y h ASP 44 Cb 0.27 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1t0y h ASP 44 CO -0.11 1.06 0.00 -1.20 -2.88 0.00 0.00 179.24 176.11 1t0y n SER 45 N -4.19 1.17 -4.26 2.28 7.64 -0.24 -4.72 113.62 111.30 1t0y n SER 45 Ca 0.03 -1.46 -0.35 0.00 1.01 0.00 0.00 58.87 58.11 1t0y n SER 45 Cb 0.34 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.95 3.24 -0.03 1.43 -2.45 -0.81 -0.17 119.30 118.55 1t0y s MET 46 Ca 0.38 -0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 54.08 1t0y s MET 46 Cb 0.20 -2.93 -0.04 0.00 1.25 0.00 0.00 34.83 33.31 1t0y s MET 46 CO 0.31 -0.23 0.13 1.03 1.05 0.00 0.00 175.02 177.31 1t0y s ARG 47 N 1.43 3.28 -0.21 4.11 0.52 0.13 -4.89 118.95 123.32 1t0y s ARG 47 Ca 0.05 -0.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1t0y s ARG 47 Cb -0.14 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.32 1t0y s ARG 47 CO -0.05 0.69 -0.11 0.42 0.02 0.00 0.00 175.30 176.27 1t0y s ILE 48 N -1.19 2.77 0.09 1.52 -1.09 -1.26 -0.31 121.20 121.73 1t0y s ILE 48 Ca 0.22 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 1t0y s ILE 48 Cb -0.12 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1t0y s ILE 48 CO 0.13 0.44 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.07 1t0y s GLN 49 N 1.38 2.13 -0.16 2.79 -0.21 0.13 -0.67 119.66 125.06 1t0y s GLN 49 Ca 0.05 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.43 1t0y s GLN 49 Cb -0.14 -2.29 -0.00 0.00 1.00 0.00 0.00 33.01 31.58 1t0y s GLN 49 CO -0.07 0.52 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.29 1t0y s LEU 50 N -2.01 2.47 0.11 2.90 0.20 0.50 0.22 118.68 123.07 1t0y s LEU 50 Ca 0.20 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 54.63 1t0y s LEU 50 Cb -0.11 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1t0y s LEU 50 CO 0.12 0.08 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.73 1t0y s PHE 51 N 0.84 2.58 0.00 5.38 0.40 0.55 -0.66 117.98 127.07 1t0y s PHE 51 Ca -0.05 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1t0y s PHE 51 Cb -0.15 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1t0y s PHE 51 CO -0.00 0.39 0.00 -0.40 0.70 0.00 0.00 175.22 175.90 1t0y n ASP 52 N 0.83 0.00 0.18 1.36 5.75 -0.67 -0.80 116.55 123.21 1t0y n ASP 52 Ca -0.15 -0.99 0.02 0.00 -0.01 0.00 0.00 54.79 53.66 1t0y n ASP 52 Cb 0.53 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.97 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1t0y h GLY 53 N 0.00 0.00 0.00 6.12 0.00 -1.92 -3.33 103.07 103.94 1t0y h GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t0y h GLY 53 CO 0.00 0.00 -0.03 -0.55 0.00 0.00 0.00 176.54 175.96 1t0y h ASP 54 N 0.00 0.00 0.00 0.19 5.19 -1.92 -3.49 116.42 116.39 1t0y h ASP 54 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1t0y h ASP 54 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1t0y h ASP 54 CO 0.05 0.21 0.00 -0.67 -3.12 0.00 0.00 179.24 175.71 1t0y n ASP 55 N -3.09 0.00 -4.76 6.45 2.03 -1.25 -5.15 116.55 110.79 1t0y n ASP 55 Ca -0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.89 1t0y n ASP 55 Cb 0.02 0.08 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.62 2.54 -2.37 -0.67 10.64 -1.26 -4.40 117.38 120.24 1t0y n GLN 56 Ca 0.00 0.89 -0.43 0.00 -1.83 0.00 0.00 57.00 55.63 1t0y n GLN 56 Cb 0.00 -2.59 -0.02 0.00 -0.86 0.00 0.00 30.24 26.77 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1t0y s LEU 57 N -1.75 4.18 -0.07 2.61 2.96 -1.26 -1.67 118.68 123.68 1t0y s LEU 57 Ca 0.54 1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 56.01 1t0y s LEU 57 Cb -0.50 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.36 1t0y s LEU 57 CO 0.63 -0.80 0.71 0.11 -1.32 0.00 0.00 176.35 175.68 1t0y h LYS 58 N 8.43 0.31 0.00 1.98 1.79 -1.24 -3.49 116.57 124.34 1t0y h LYS 58 Ca -0.28 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1t0y h LYS 58 Cb 1.11 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1t0y h LYS 58 CO 0.97 1.25 0.00 0.41 -1.08 0.00 0.00 179.45 181.00 1t0y n GLY 59 N 1.73 -1.22 3.45 3.86 0.00 -1.16 -5.03 105.19 106.82 1t0y n GLY 59 Ca -0.21 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.03 3.05 0.00 1.61 2.12 -1.26 -0.37 118.70 122.82 1t0y s GLU 60 Ca 0.00 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1t0y s GLU 60 Cb 0.00 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1t0y s GLU 60 CO 0.00 0.41 0.00 1.28 -0.54 0.00 0.00 175.26 176.41 1t0y n LEU 61 N 2.95 0.00 0.00 2.70 4.77 0.15 -4.95 117.00 122.61 1t0y n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1t0y n LEU 61 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1t0y n LEU 61 CO 0.29 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.42 1t0y n THR 62 N 0.00 0.00 -2.66 -5.08 5.66 -1.23 -4.87 114.28 106.09 1t0y n THR 62 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1t0y n THR 62 Cb 0.00 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 68.74 1t0y n THR 62 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1t0y s ASP 63 N -3.27 7.33 0.00 1.09 1.01 -1.26 -4.87 116.67 116.69 1t0y s ASP 63 Ca 0.00 1.73 0.00 0.00 0.71 0.00 0.00 52.55 54.99 1t0y s ASP 63 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1t0y s ASP 63 CO 0.00 -0.28 0.83 0.61 0.21 0.00 0.00 175.17 176.54 1t0y n GLY 64 N 2.90 1.50 0.05 0.21 0.00 -1.26 -4.25 105.19 104.35 1t0y n GLY 64 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.35 2.76 -2.71 4.61 0.00 -1.26 -3.97 120.51 119.60 1t0y n ALA 65 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1t0y n ALA 65 Cb 0.24 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1t0y n ALA 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t0y s LYS 66 N -2.73 2.51 0.59 0.00 1.02 -1.26 -5.07 119.74 114.80 1t0y s LYS 66 Ca 0.21 -1.28 -0.04 0.00 0.02 0.00 0.00 55.97 54.89 1t0y s LYS 66 Cb 0.19 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1t0y s LYS 66 CO 0.53 0.38 0.87 -1.12 -0.92 0.00 0.00 175.35 175.09 1t0y s SER 67 N -3.69 5.39 0.40 2.83 0.01 -1.26 -3.20 113.70 114.18 1t0y s SER 67 Ca 0.32 0.45 0.06 0.00 1.31 0.00 0.00 55.95 58.09 1t0y s SER 67 Cb -0.07 -1.39 0.82 0.00 0.21 0.00 0.00 66.02 65.59 1t0y s SER 67 CO 0.21 -1.14 2.04 -0.07 0.41 0.00 0.00 173.24 174.69 1t0y h LEU 68 N -0.13 0.53 -0.26 2.44 3.38 -0.28 -0.40 115.31 120.58 1t0y h LEU 68 Ca -0.45 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.30 1t0y h LEU 68 Cb 1.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1t0y h LEU 68 CO 0.58 0.38 -0.82 0.50 0.09 0.00 0.00 178.44 179.17 1t0y h LYS 69 N 0.62 0.51 -0.22 1.13 1.63 -1.10 0.24 116.57 119.38 1t0y h LYS 69 Ca 0.19 -0.46 -0.11 0.00 -0.85 0.00 0.00 60.65 59.42 1t0y h LYS 69 Cb -0.01 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1t0y h LYS 69 CO -0.04 1.09 -0.31 0.22 -3.45 0.00 0.00 179.45 176.96 1t0y h ASP 70 N 0.33 0.46 1.31 4.20 1.82 -1.57 -2.28 116.42 120.69 1t0y h ASP 70 Ca -0.06 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1t0y h ASP 70 Cb 1.43 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1t0y h ASP 70 CO 0.15 0.76 -0.02 0.18 -1.61 0.00 0.00 179.24 178.69 1t0y n LEU 71 N -4.08 0.57 0.00 2.28 4.77 -0.24 -4.92 117.00 115.37 1t0y n LEU 71 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1t0y n LEU 71 Cb 0.44 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1t0y n LEU 71 CO 0.43 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1t0y n GLY 72 N 1.37 0.97 3.79 -0.72 0.00 -0.84 -5.06 105.19 104.71 1t0y n GLY 72 Ca 0.06 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 4.84 0.30 1.61 1.01 0.79 -5.02 120.40 121.93 1t0y s VAL 73 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1t0y s VAL 73 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1t0y s VAL 73 CO 0.00 0.50 0.08 0.54 0.00 0.00 0.00 175.10 176.22 1t0y n ARG 74 N 2.15 0.78 -2.95 2.72 1.74 -1.26 -4.39 116.66 115.44 1t0y n ARG 74 Ca -0.09 -2.49 -0.36 0.00 -0.77 0.00 0.00 57.85 54.14 1t0y n ARG 74 Cb 0.51 1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 33.09 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 -2.82 7.13 0.00 0.55 -4.77 -1.26 -3.49 116.67 112.01 1t0y s ASP 75 Ca 0.12 1.59 0.00 0.00 -3.30 0.00 0.00 52.55 50.96 1t0y s ASP 75 Cb 0.01 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1t0y s ASP 75 CO 0.08 -0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.49 1t0y n GLY 76 N 0.42 0.58 3.95 2.12 0.00 0.21 -4.92 105.19 107.55 1t0y n GLY 76 Ca 0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.48 -0.24 1.61 1.51 -1.23 -3.82 117.35 116.66 1t0y s TYR 77 Ca 0.00 0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 56.09 1t0y s TYR 77 Cb 0.00 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1t0y s TYR 77 CO 0.00 0.48 0.08 1.03 -1.11 0.00 0.00 175.55 176.02 1t0y s ARG 78 N -3.44 3.72 -0.29 -0.62 0.52 0.02 -0.20 118.95 118.65 1t0y s ARG 78 Ca 0.35 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 55.03 1t0y s ARG 78 Cb -0.11 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.03 1t0y s ARG 78 CO 0.29 -0.12 0.11 0.42 0.02 0.00 0.00 175.30 176.02 1t0y s ILE 79 N 1.44 4.29 -0.26 1.52 1.09 0.96 -0.33 121.20 129.91 1t0y s ILE 79 Ca 0.06 -0.49 -0.10 0.00 -1.10 0.00 0.00 60.65 59.01 1t0y s ILE 79 Cb -0.15 -3.17 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 1t0y s ILE 79 CO 0.04 0.12 0.16 -2.28 -0.10 0.00 0.00 174.94 172.88 1t0y s HIS 80 N 1.57 3.23 -0.12 3.97 5.65 0.13 -0.99 115.29 128.73 1t0y s HIS 80 Ca 0.04 0.08 -0.05 0.00 0.25 0.00 0.00 55.06 55.38 1t0y s HIS 80 Cb -0.17 -2.33 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 1t0y s HIS 80 CO 0.04 -0.12 0.07 0.00 -0.65 0.00 0.00 174.74 174.08 1t0y s ALA 81 N 1.53 3.55 -0.11 1.58 0.00 0.10 0.20 121.76 128.63 1t0y s ALA 81 Ca 0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1t0y s ALA 81 Cb -0.15 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.24 1t0y s ALA 81 CO 0.08 0.51 0.26 0.54 0.00 0.00 0.00 175.76 177.16 1t0y s VAL 82 N -0.67 -0.03 0.05 0.00 0.11 0.58 -2.32 120.40 118.12 1t0y s VAL 82 Ca 0.12 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 1t0y s VAL 82 Cb -0.12 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1t0y s VAL 82 CO 0.02 0.04 1.01 -0.62 -3.33 0.00 0.00 175.10 172.23 1t0y s ASP 83 N 0.88 7.35 -0.00 3.54 -1.08 -1.26 0.19 116.67 126.29 1t0y s ASP 83 Ca -0.06 1.77 0.21 0.00 -0.52 0.00 0.00 52.55 53.95 1t0y s ASP 83 Cb -0.07 -2.58 -0.23 0.00 -1.46 0.00 0.00 42.92 38.57 1t0y s ASP 83 CO -0.06 -0.24 0.84 0.52 0.52 0.00 0.00 175.17 176.75 1t0y n VAL 84 N 3.52 0.00 0.12 1.11 0.31 0.76 -4.26 118.33 119.88 1t0y n VAL 84 Ca 0.05 -0.06 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1t0y n VAL 84 Cb 0.50 0.90 0.37 0.00 -0.91 0.00 0.00 33.84 34.70 1t0y n VAL 84 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1t0y h THR 85 N 0.00 1.20 -0.07 2.52 2.02 -1.92 -0.95 112.91 115.71 1t0y h THR 85 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1t0y h THR 85 Cb 0.54 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1t0y h THR 85 CO 0.00 0.27 0.00 0.61 0.37 0.00 0.00 175.52 176.77 1t0y n GLY 86 N -0.78 -0.07 2.35 2.16 0.00 -1.26 -4.90 105.19 102.69 1t0y n GLY 86 Ca -0.01 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 1.11 1.21 3.83 -0.02 0.00 -0.36 -4.99 105.19 105.97 1t0y n GLY 87 Ca 0.18 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.84 6.52 -1.66 1.61 4.22 -1.26 -4.24 114.94 117.30 1t0y s ASN 88 Ca 0.00 0.62 -0.01 0.00 -2.14 0.00 0.00 52.86 51.33 1t0y s ASN 88 Cb 0.00 -2.15 0.00 0.00 1.28 0.00 0.00 41.25 40.38 1t0y s ASN 88 CO 0.00 0.31 0.19 -0.62 -2.04 0.00 0.00 177.10 174.93 1t0y n GLU 89 N 2.35 -2.60 0.00 3.55 -0.58 -1.26 -4.60 120.64 117.49 1t0y n GLU 89 Ca -0.16 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1t0y n GLU 89 Cb 0.53 -5.63 0.02 0.00 -0.57 0.00 0.00 31.44 25.79 1t0y n GLU 89 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25