#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 4.57 0.13 2.03 -4.23 -1.26 -4.44 115.64 112.44 1t0y s THR 2 Ca 0.00 1.16 -0.24 0.00 -1.18 0.00 0.00 61.69 61.43 1t0y s THR 2 Cb 0.00 -4.35 0.07 0.00 1.34 0.00 0.00 72.50 69.56 1t0y s THR 2 CO 0.00 -0.57 0.61 -0.70 -0.54 0.00 0.00 174.62 173.42 1t0y s GLU 3 N 3.52 1.25 -0.00 3.99 2.56 -1.26 -5.04 118.70 123.72 1t0y s GLU 3 Ca 0.38 -0.39 0.01 0.00 0.00 0.00 0.00 54.97 54.98 1t0y s GLU 3 Cb -0.12 0.58 -0.00 0.00 2.00 0.00 0.00 34.13 36.59 1t0y s GLU 3 CO 0.20 -0.53 -0.03 0.14 -0.56 0.00 0.00 175.26 174.47 1t0y s VAL 4 N -3.45 0.24 -0.17 3.70 -7.23 -1.26 0.25 120.40 112.49 1t0y s VAL 4 Ca -0.00 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1t0y s VAL 4 Cb -0.01 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.73 1t0y s VAL 4 CO -0.10 0.06 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.27 1t0y s TYR 5 N -0.09 2.78 -0.33 2.82 2.02 0.11 -4.83 117.35 119.82 1t0y s TYR 5 Ca 0.01 -1.27 -0.29 0.00 -0.37 0.00 0.00 57.07 55.15 1t0y s TYR 5 Cb -0.01 -1.91 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1t0y s TYR 5 CO -0.00 -0.61 1.06 0.34 -1.57 0.00 0.00 175.55 174.77 1t0y s ASP 6 N 1.03 6.89 0.22 2.29 2.15 -1.26 -1.16 116.67 126.83 1t0y s ASP 6 Ca -0.01 0.97 0.10 0.00 0.43 0.00 0.00 52.55 54.03 1t0y s ASP 6 Cb -0.15 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1t0y s ASP 6 CO -0.05 -0.89 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.22 1t0y s LEU 7 N 3.67 2.98 -0.24 -1.34 1.43 -0.16 0.44 118.68 125.46 1t0y s LEU 7 Ca 0.45 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1t0y s LEU 7 Cb -0.12 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1t0y s LEU 7 CO 0.16 0.07 0.01 -0.70 0.23 0.00 0.00 176.35 176.12 1t0y s GLU 8 N -3.16 3.42 -0.19 1.70 -6.30 -0.40 0.17 118.70 113.95 1t0y s GLU 8 Ca 0.27 -0.61 -0.05 0.00 -2.50 0.00 0.00 54.97 52.08 1t0y s GLU 8 Cb -0.08 -3.15 -0.03 0.00 0.00 0.00 0.00 34.13 30.87 1t0y s GLU 8 CO 0.16 -0.23 -0.00 0.42 0.02 0.00 0.00 175.26 175.63 1t0y s ILE 9 N 1.52 4.03 0.23 -3.70 -1.09 0.18 0.26 121.20 122.64 1t0y s ILE 9 Ca 0.05 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1t0y s ILE 9 Cb -0.15 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 1t0y s ILE 9 CO -0.00 0.45 0.03 0.28 -1.23 0.00 0.00 174.94 174.46 1t0y s THR 10 N 0.75 0.85 0.20 2.92 -1.32 0.63 -2.28 115.64 117.40 1t0y s THR 10 Ca 0.00 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.35 1t0y s THR 10 Cb -0.14 -2.39 -0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1t0y s THR 10 CO 0.02 -0.26 0.40 -0.89 -2.21 0.00 0.00 174.62 171.68 1t0y s THR 11 N -3.54 0.03 0.02 5.08 2.01 -1.25 -0.18 115.64 117.81 1t0y s THR 11 Ca 0.30 -1.30 0.16 0.00 0.31 0.00 0.00 61.69 61.17 1t0y s THR 11 Cb 0.06 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.69 1t0y s THR 11 CO 0.09 -0.13 1.57 -0.55 -0.69 0.00 0.00 174.62 174.91 1t0y h ASN 12 N 2.36 0.00 1.29 3.53 -1.07 -1.67 -3.02 115.58 117.00 1t0y h ASN 12 Ca -0.29 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.01 1t0y h ASN 12 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 1t0y h ASN 12 CO 0.41 0.48 -0.34 0.00 0.07 0.00 0.00 177.43 178.05 1t0y h ALA 13 N 1.52 0.86 -3.43 4.14 0.00 -1.96 -3.43 119.26 116.95 1t0y h ALA 13 Ca -0.00 -0.31 -0.66 0.00 0.00 0.00 0.00 54.91 53.94 1t0y h ALA 13 Cb 1.18 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 1t0y h ALA 13 CO 0.06 0.43 -0.68 0.95 0.00 0.00 0.00 179.25 180.00 1t0y s THR 14 N -3.28 3.76 -0.11 0.00 -4.23 -1.14 -4.95 115.64 105.68 1t0y s THR 14 Ca 0.03 -0.43 0.22 0.00 -1.18 0.00 0.00 61.69 60.33 1t0y s THR 14 Cb 0.08 -2.60 -0.20 0.00 1.34 0.00 0.00 72.50 71.12 1t0y s THR 14 CO 0.69 0.54 0.70 -0.67 -0.54 0.00 0.00 174.62 175.34 1t0y n ASP 15 N 2.99 0.35 -4.68 3.99 2.03 -1.26 -4.30 116.55 115.67 1t0y n ASP 15 Ca -0.18 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.86 1t0y n ASP 15 Cb 0.53 1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 42.23 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 -3.43 3.46 0.37 -0.67 5.36 -1.26 -5.04 117.98 116.78 1t0y s PHE 16 Ca -0.05 1.29 -0.25 0.00 -0.96 0.00 0.00 56.93 56.97 1t0y s PHE 16 Cb 0.12 -3.00 -0.10 0.00 -0.34 0.00 0.00 43.02 39.71 1t0y s PHE 16 CO 0.86 -0.18 1.00 -1.25 -1.46 0.00 0.00 175.22 174.19 1t0y s PRO 17 N 1.90 4.33 -0.09 10.12 0.04 -1.26 -4.86 135.00 145.17 1t0y s PRO 17 Ca 0.39 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 1t0y s PRO 17 Cb -0.17 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.79 1t0y s PRO 17 CO 0.14 0.03 -0.06 -1.64 0.04 0.00 0.00 177.00 175.51 1t0y s MET 18 N -2.39 1.26 -0.17 4.56 -1.94 -0.97 -4.96 119.30 114.69 1t0y s MET 18 Ca 0.55 -0.17 -0.25 0.00 -1.71 0.00 0.00 55.69 54.11 1t0y s MET 18 Cb -0.20 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.28 1t0y s MET 18 CO 0.25 -0.22 0.81 -1.21 -0.01 0.00 0.00 175.02 174.63 1t0y s GLU 19 N 1.57 4.29 -0.08 2.03 8.01 -1.26 0.52 118.70 133.78 1t0y s GLU 19 Ca 0.01 0.97 -0.04 0.00 0.01 0.00 0.00 54.97 55.92 1t0y s GLU 19 Cb -0.13 -3.57 0.04 0.00 -4.31 0.00 0.00 34.13 26.16 1t0y s GLU 19 CO -0.05 -0.32 0.19 0.21 0.01 0.00 0.00 175.26 175.30 1t0y s LYS 20 N 2.12 0.15 -0.16 1.61 2.20 0.13 -4.95 119.74 120.82 1t0y s LYS 20 Ca 0.37 0.43 -0.07 0.00 -0.36 0.00 0.00 55.97 56.34 1t0y s LYS 20 Cb -0.16 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 1t0y s LYS 20 CO 0.12 -0.16 0.08 0.21 -0.36 0.00 0.00 175.35 175.25 1t0y s LYS 21 N 1.14 3.80 0.15 4.03 2.20 -1.26 -0.99 119.74 128.82 1t0y s LYS 21 Ca -0.09 -0.29 0.09 0.00 -0.36 0.00 0.00 55.97 55.32 1t0y s LYS 21 Cb -0.10 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1t0y s LYS 21 CO -0.07 0.43 -0.19 0.71 -0.36 0.00 0.00 175.35 175.87 1t0y s TYR 22 N -0.05 1.84 0.38 4.03 1.51 -0.31 -4.93 117.35 119.82 1t0y s TYR 22 Ca 0.07 -0.45 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 1t0y s TYR 22 Cb -0.12 -0.93 -0.09 0.00 -0.11 0.00 0.00 41.96 40.71 1t0y s TYR 22 CO 0.01 0.32 1.25 -2.14 -1.11 0.00 0.00 175.55 173.87 1t0y s PRO 23 N -2.63 4.13 0.38 -1.71 0.02 -1.26 0.03 135.00 133.97 1t0y s PRO 23 Ca 0.14 2.04 0.06 0.00 0.02 0.00 0.00 61.00 63.26 1t0y s PRO 23 Cb -0.07 -2.84 0.75 0.00 0.02 0.00 0.00 34.50 32.37 1t0y s PRO 23 CO 0.06 -0.32 1.98 0.00 -0.33 0.00 0.00 177.00 178.40 1t0y h ALA 24 N 2.91 1.57 -0.02 -1.55 0.00 -0.52 -1.81 119.26 119.83 1t0y h ALA 24 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1t0y h ALA 24 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1t0y h ALA 24 CO 0.63 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1t0y n GLY 25 N -1.23 -0.45 3.87 0.00 0.00 -1.26 -0.52 105.19 105.58 1t0y n GLY 25 Ca 0.03 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.98 3.69 0.28 1.61 0.00 -0.68 -4.69 119.30 117.54 1t0y s MET 26 Ca 0.40 0.72 -0.21 0.00 0.00 0.00 0.00 55.69 56.60 1t0y s MET 26 Cb 0.20 -2.15 -0.09 0.00 0.00 0.00 0.00 34.83 32.79 1t0y s MET 26 CO 0.33 -0.42 0.81 -1.12 0.00 0.00 0.00 175.02 174.62 1t0y s SER 27 N -3.83 7.11 0.31 1.11 0.01 -1.26 -1.73 113.70 115.41 1t0y s SER 27 Ca 0.55 1.56 0.10 0.00 1.31 0.00 0.00 55.95 59.47 1t0y s SER 27 Cb -0.11 -2.47 0.50 0.00 0.21 0.00 0.00 66.02 64.14 1t0y s SER 27 CO 0.46 -0.05 1.70 0.25 0.41 0.00 0.00 173.24 176.01 1t0y h LEU 28 N 3.10 0.07 -0.67 2.44 6.46 -1.21 -2.26 115.31 123.24 1t0y h LEU 28 Ca -0.48 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.34 1t0y h LEU 28 Cb 1.19 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.03 1t0y h LEU 28 CO 0.65 0.55 0.32 0.78 -0.62 0.00 0.00 178.44 180.12 1t0y h ASN 29 N 0.06 0.42 0.07 1.25 -0.26 -1.62 0.29 115.58 115.78 1t0y h ASN 29 Ca -0.00 0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.68 1t0y h ASN 29 Cb 0.89 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1t0y h ASN 29 CO 0.07 0.25 -0.39 -0.78 -1.06 0.00 0.00 177.43 175.51 1t0y h ASP 30 N 0.56 0.45 -0.42 5.81 3.58 -1.71 -0.59 116.42 124.10 1t0y h ASP 30 Ca 0.33 -0.19 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1t0y h ASP 30 Cb 0.33 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1t0y h ASP 30 CO -0.26 0.80 -0.27 0.25 -2.88 0.00 0.00 179.24 176.88 1t0y h LEU 31 N 0.36 0.98 -0.90 2.28 6.46 -0.65 -0.93 115.31 122.91 1t0y h LEU 31 Ca 0.03 -0.39 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1t0y h LEU 31 Cb 0.84 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1t0y h LEU 31 CO 0.07 1.18 0.27 0.11 -0.62 0.00 0.00 178.44 179.44 1t0y h LYS 32 N 0.80 1.07 -0.05 1.25 1.57 -0.08 -0.69 116.57 120.44 1t0y h LYS 32 Ca 0.09 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1t0y h LYS 32 Cb 0.84 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1t0y h LYS 32 CO 0.07 0.88 -0.29 -0.22 -0.57 0.00 0.00 179.45 179.33 1t0y h LYS 33 N 1.04 0.09 -0.37 3.15 1.63 -0.54 0.57 116.57 122.14 1t0y h LYS 33 Ca 0.24 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.91 1t0y h LYS 33 Cb 0.23 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1t0y h LYS 33 CO -0.02 0.38 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.00 1t0y h LYS 34 N 0.08 0.76 -0.58 1.90 1.63 -0.45 0.19 116.57 120.11 1t0y h LYS 34 Ca 0.01 -0.32 -0.05 0.00 -0.85 0.00 0.00 60.65 59.45 1t0y h LYS 34 Cb 0.56 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1t0y h LYS 34 CO 0.04 0.93 0.17 -0.07 -3.45 0.00 0.00 179.45 177.07 1t0y h LEU 35 N 0.55 0.85 -1.46 5.20 3.38 -0.09 0.23 115.31 123.97 1t0y h LEU 35 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1t0y h LEU 35 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1t0y h LEU 35 CO 0.05 0.84 0.30 -0.33 0.09 0.00 0.00 178.44 179.38 1t0y h GLU 36 N 0.82 0.66 0.00 1.13 5.08 0.30 0.47 114.58 123.04 1t0y h GLU 36 Ca 0.19 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1t0y h GLU 36 Cb 0.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1t0y h GLU 36 CO -0.00 0.46 -0.00 1.25 -1.00 0.00 0.00 179.01 179.72 1t0y h LEU 37 N 0.67 -0.00 -0.08 1.33 5.85 -0.23 -0.41 115.31 122.45 1t0y h LEU 37 Ca 0.18 -0.77 -0.21 0.00 0.84 0.00 0.00 57.88 57.92 1t0y h LEU 37 Cb -0.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.02 1t0y h LEU 37 CO -0.03 0.78 -0.76 0.58 -0.34 0.00 0.00 178.44 178.66 1t0y h VAL 38 N -0.79 1.32 0.00 1.05 2.07 -0.44 -3.34 116.25 116.13 1t0y h VAL 38 Ca -0.00 -2.03 -0.21 0.00 0.82 0.00 0.00 66.70 65.28 1t0y h VAL 38 Cb 0.78 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 1t0y h VAL 38 CO 0.00 0.62 -1.88 0.52 0.02 0.00 0.00 177.57 176.85 1t0y n VAL 39 N -4.03 1.04 -0.67 2.57 0.31 0.16 -4.97 118.33 112.74 1t0y n VAL 39 Ca -0.09 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1t0y n VAL 39 Cb 0.74 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1t0y n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t0y n GLY 40 N 1.50 0.77 3.61 2.92 0.00 -0.16 -5.01 105.19 108.82 1t0y n GLY 40 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.80 1.91 0.18 2.61 2.01 -1.25 -4.98 115.64 113.32 1t0y s THR 41 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1t0y s THR 41 Cb 0.00 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1t0y s THR 41 CO 0.00 0.00 0.25 0.35 -0.69 0.00 0.00 174.62 174.53 1t0y n THR 42 N -4.48 0.00 -0.08 -0.82 -2.24 -1.26 -4.44 114.28 100.95 1t0y n THR 42 Ca 0.06 -0.54 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 1t0y n THR 42 Cb 0.57 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.73 1t0y n THR 42 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t0y h VAL 43 N -0.08 1.02 0.11 2.28 2.07 -1.94 -3.29 116.25 116.41 1t0y h VAL 43 Ca -0.08 -2.23 -0.28 0.00 0.82 0.00 0.00 66.70 64.92 1t0y h VAL 43 Cb 0.36 2.44 0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1t0y h VAL 43 CO 0.11 0.43 -1.21 -0.78 0.02 0.00 0.00 177.57 176.14 1t0y h ASP 44 N -0.86 0.75 0.44 0.57 3.58 -2.02 -3.12 116.42 115.76 1t0y h ASP 44 Ca -0.31 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.45 1t0y h ASP 44 Cb 1.36 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1t0y h ASP 44 CO -0.14 1.51 -0.01 -1.20 -2.88 0.00 0.00 179.24 176.52 1t0y n SER 45 N -3.74 0.06 -4.49 2.28 7.64 -1.26 -4.58 113.62 109.53 1t0y n SER 45 Ca -0.12 -0.36 -0.42 0.00 1.01 0.00 0.00 58.87 58.98 1t0y n SER 45 Cb 0.97 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.45 3.20 -0.06 1.43 -2.45 -1.18 -0.44 119.30 117.35 1t0y s MET 46 Ca 0.32 -0.86 -0.03 0.00 -1.25 0.00 0.00 55.69 53.87 1t0y s MET 46 Cb 0.21 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 32.35 1t0y s MET 46 CO 0.45 -0.61 0.11 0.50 1.05 0.00 0.00 175.02 176.52 1t0y s ARG 47 N 1.69 3.27 -0.10 4.11 3.52 0.59 -4.90 118.95 127.13 1t0y s ARG 47 Ca 0.05 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1t0y s ARG 47 Cb -0.18 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1t0y s ARG 47 CO 0.10 0.71 -0.13 0.42 -0.81 0.00 0.00 175.30 175.58 1t0y s ILE 48 N -1.13 1.35 -0.09 4.11 1.09 -1.26 0.29 121.20 125.57 1t0y s ILE 48 Ca 0.20 -0.56 -0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1t0y s ILE 48 Cb -0.12 -1.25 -0.03 0.00 -1.06 0.00 0.00 42.46 40.00 1t0y s ILE 48 CO 0.10 0.41 -0.05 -1.10 -0.10 0.00 0.00 174.94 174.20 1t0y s GLN 49 N 1.02 2.94 -0.29 2.79 1.11 0.22 -0.30 119.66 127.15 1t0y s GLN 49 Ca -0.07 -0.52 -0.05 0.00 0.01 0.00 0.00 55.36 54.73 1t0y s GLN 49 Cb -0.15 -2.67 0.02 0.00 -1.01 0.00 0.00 33.01 29.20 1t0y s GLN 49 CO -0.01 0.60 0.03 -1.17 0.01 0.00 0.00 175.29 174.74 1t0y s LEU 50 N -0.61 3.73 0.05 2.90 0.20 0.42 -0.09 118.68 125.26 1t0y s LEU 50 Ca 0.09 -0.88 0.04 0.00 0.69 0.00 0.00 54.13 54.07 1t0y s LEU 50 Cb -0.12 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1t0y s LEU 50 CO 0.02 -0.20 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.47 1t0y s PHE 51 N 1.41 2.89 0.51 5.38 0.08 0.18 -0.77 117.98 127.66 1t0y s PHE 51 Ca 0.00 -0.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 1t0y s PHE 51 Cb -0.18 -1.56 0.11 0.00 -0.57 0.00 0.00 43.02 40.82 1t0y s PHE 51 CO 0.00 0.42 0.70 -0.40 -0.10 0.00 0.00 175.22 175.84 1t0y n ASP 52 N 1.12 0.66 -1.45 1.36 5.68 -0.63 0.17 116.55 123.46 1t0y n ASP 52 Ca -0.14 -1.63 0.08 0.00 -0.50 0.00 0.00 54.79 52.61 1t0y n ASP 52 Cb 0.52 -0.48 0.34 0.00 -1.14 0.00 0.00 41.12 40.36 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t0y n GLY 53 N -0.12 3.19 0.14 6.12 0.00 -1.25 -4.33 105.19 108.94 1t0y n GLY 53 Ca 0.11 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1t0y n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t0y n ASP 54 N 0.47 1.95 0.00 1.61 -0.08 -1.26 -5.03 116.55 114.21 1t0y n ASP 54 Ca 0.24 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1t0y n ASP 54 Cb 0.97 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1t0y n ASP 55 N -4.27 0.00 -4.89 1.67 2.03 -1.26 -5.18 116.55 104.65 1t0y n ASP 55 Ca -0.52 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.53 1t0y n ASP 55 Cb 0.86 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.23 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y s GLN 56 N 0.00 3.23 -0.02 -0.67 -2.07 -1.26 -4.87 119.66 114.00 1t0y s GLN 56 Ca 0.00 -0.73 -0.27 0.00 -1.82 0.00 0.00 55.36 52.54 1t0y s GLN 56 Cb 0.00 -2.83 -0.04 0.00 -1.09 0.00 0.00 33.01 29.06 1t0y s GLN 56 CO 0.00 0.49 0.84 -1.17 -1.32 0.00 0.00 175.29 174.13 1t0y s LEU 57 N -3.31 4.35 -0.09 2.60 2.96 -1.26 -1.61 118.68 122.32 1t0y s LEU 57 Ca 0.33 1.43 -0.06 0.00 -0.22 0.00 0.00 54.13 55.62 1t0y s LEU 57 Cb -0.10 -3.33 -0.27 0.00 0.50 0.00 0.00 46.19 42.99 1t0y s LEU 57 CO 0.27 -0.17 0.47 0.11 -1.32 0.00 0.00 176.35 175.71 1t0y h LYS 58 N 6.67 0.27 0.00 1.98 1.79 -1.32 -3.49 116.57 122.48 1t0y h LYS 58 Ca -0.41 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.60 1t0y h LYS 58 Cb 1.21 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1t0y h LYS 58 CO 0.75 1.17 0.00 0.41 -1.08 0.00 0.00 179.45 180.70 1t0y n GLY 59 N 1.92 -1.08 3.14 3.86 0.00 -1.22 -5.03 105.19 106.78 1t0y n GLY 59 Ca -0.29 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1t0y n GLY 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t0y s GLU 60 N -1.88 2.61 0.00 1.61 -1.05 -1.26 -0.44 118.70 118.30 1t0y s GLU 60 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1t0y s GLU 60 Cb 0.00 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 1t0y s GLU 60 CO 0.00 0.07 0.00 1.47 0.95 0.00 0.00 175.26 177.75 1t0y n LEU 61 N 3.79 0.00 0.00 1.83 -0.00 0.58 -4.79 117.00 118.42 1t0y n LEU 61 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1t0y n LEU 61 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1t0y n LEU 61 CO 0.27 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.07 1t0y n THR 62 N 0.00 0.00 -3.20 1.47 -1.04 -1.26 -4.86 114.28 105.39 1t0y n THR 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t0y n THR 62 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t0y n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1t0y n ASP 63 N 0.00 0.00 0.00 8.00 2.03 -1.26 -5.06 116.55 120.26 1t0y n ASP 63 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t0y n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1t0y n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t0y n GLY 64 N 0.00 0.00 0.12 0.27 0.00 -1.26 -4.64 105.19 99.68 1t0y n GLY 64 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y h ALA 65 N 0.00 0.54 -2.27 4.61 0.00 -1.95 -0.50 119.26 119.69 1t0y h ALA 65 Ca 0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 1t0y h ALA 65 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1t0y h ALA 65 CO 0.00 0.04 -0.00 -1.59 0.00 0.00 0.00 179.25 177.69 1t0y s LYS 66 N -3.34 3.50 0.75 0.00 -2.85 -1.26 -4.89 119.74 111.66 1t0y s LYS 66 Ca -0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 55.97 54.86 1t0y s LYS 66 Cb 0.09 -2.48 0.06 0.00 -2.06 0.00 0.00 37.83 33.44 1t0y s LYS 66 CO 0.78 -0.08 1.09 -1.54 0.10 0.00 0.00 175.35 175.70 1t0y s SER 67 N -4.09 4.75 0.40 0.03 1.04 -1.26 -3.79 113.70 110.79 1t0y s SER 67 Ca 0.45 0.66 0.12 0.00 0.48 0.00 0.00 55.95 57.66 1t0y s SER 67 Cb -0.10 -1.26 0.84 0.00 0.10 0.00 0.00 66.02 65.60 1t0y s SER 67 CO 0.41 -1.69 1.91 -0.07 0.98 0.00 0.00 173.24 174.78 1t0y h LEU 68 N -0.79 0.06 -0.21 2.42 3.38 -0.34 0.27 115.31 120.11 1t0y h LEU 68 Ca -0.45 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1t0y h LEU 68 Cb 1.32 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1t0y h LEU 68 CO 0.63 0.31 -0.27 0.50 0.09 0.00 0.00 178.44 179.70 1t0y h LYS 69 N 0.06 0.55 -0.05 1.13 3.11 -1.04 0.11 116.57 120.44 1t0y h LYS 69 Ca 0.01 -0.31 -0.13 0.00 -2.81 0.00 0.00 60.65 57.41 1t0y h LYS 69 Cb 0.46 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1t0y h LYS 69 CO 0.03 0.91 -0.55 0.22 -2.81 0.00 0.00 179.45 177.25 1t0y h ASP 70 N 0.23 0.16 0.85 4.20 3.58 -1.67 -2.40 116.42 121.37 1t0y h ASP 70 Ca 0.03 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1t0y h ASP 70 Cb 0.84 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1t0y h ASP 70 CO 0.06 0.68 0.00 0.18 -2.88 0.00 0.00 179.24 177.29 1t0y n LEU 71 N -3.90 0.34 0.00 2.28 4.77 0.91 -4.88 117.00 116.52 1t0y n LEU 71 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1t0y n LEU 71 Cb 0.57 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1t0y n LEU 71 CO 0.43 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1t0y n GLY 72 N 0.57 0.52 3.72 -0.72 0.00 -0.90 -5.02 105.19 103.35 1t0y n GLY 72 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 4.75 0.45 1.61 1.01 0.32 -5.03 120.40 121.51 1t0y s VAL 73 Ca 0.00 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.07 1t0y s VAL 73 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1t0y s VAL 73 CO 0.00 0.21 0.06 -0.13 0.00 0.00 0.00 175.10 175.24 1t0y s ARG 74 N 0.71 2.02 0.36 2.72 1.81 -1.26 -4.53 118.95 120.78 1t0y s ARG 74 Ca 0.51 -2.25 -0.26 0.00 -1.72 0.00 0.00 55.73 52.01 1t0y s ARG 74 Cb -0.22 -1.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.08 1t0y s ARG 74 CO 0.29 -0.37 1.06 0.16 -0.68 0.00 0.00 175.30 175.76 1t0y s ASP 75 N -3.72 6.90 0.00 0.23 -4.77 -1.26 -3.09 116.67 110.96 1t0y s ASP 75 Ca 0.18 2.11 0.00 0.00 -3.30 0.00 0.00 52.55 51.54 1t0y s ASP 75 Cb 0.03 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1t0y s ASP 75 CO 0.10 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1t0y n GLY 76 N 0.60 0.66 3.87 2.12 0.00 0.17 -4.93 105.19 107.68 1t0y n GLY 76 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.38 3.44 -0.24 1.61 1.51 -1.18 -3.79 117.35 116.32 1t0y s TYR 77 Ca 0.00 0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 56.86 1t0y s TYR 77 Cb 0.00 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1t0y s TYR 77 CO 0.00 0.29 0.07 1.03 -1.11 0.00 0.00 175.55 175.83 1t0y s ARG 78 N -2.74 3.72 -0.32 -0.62 0.52 0.13 -1.27 118.95 118.36 1t0y s ARG 78 Ca 0.46 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1t0y s ARG 78 Cb -0.11 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1t0y s ARG 78 CO 0.21 -0.10 0.15 0.42 0.02 0.00 0.00 175.30 176.00 1t0y s ILE 79 N 1.39 4.46 -0.23 1.52 1.01 0.14 -0.65 121.20 128.84 1t0y s ILE 79 Ca 0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1t0y s ILE 79 Cb -0.15 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1t0y s ILE 79 CO 0.04 0.01 -0.01 -2.28 0.00 0.00 0.00 174.94 172.70 1t0y s HIS 80 N 1.58 3.00 -0.00 3.97 5.65 0.87 -0.27 115.29 130.09 1t0y s HIS 80 Ca 0.04 -0.79 -0.06 0.00 0.25 0.00 0.00 55.06 54.49 1t0y s HIS 80 Cb -0.18 -2.15 -0.05 0.00 -1.18 0.00 0.00 32.58 29.03 1t0y s HIS 80 CO 0.06 -0.49 0.26 0.00 -0.65 0.00 0.00 174.74 173.91 1t0y s ALA 81 N 1.52 3.86 -0.01 1.58 0.00 0.75 0.72 121.76 130.17 1t0y s ALA 81 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1t0y s ALA 81 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1t0y s ALA 81 CO -0.01 0.65 0.03 0.54 0.00 0.00 0.00 175.76 176.97 1t0y s VAL 82 N -1.28 -0.01 -0.22 0.00 0.11 0.15 -1.53 120.40 117.62 1t0y s VAL 82 Ca 0.27 0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 59.10 1t0y s VAL 82 Cb -0.13 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1t0y s VAL 82 CO 0.15 0.01 0.86 -0.62 -3.33 0.00 0.00 175.10 172.17 1t0y s ASP 83 N 0.19 6.90 0.22 3.54 2.15 -1.26 -0.30 116.67 128.11 1t0y s ASP 83 Ca -0.02 1.12 0.12 0.00 0.43 0.00 0.00 52.55 54.21 1t0y s ASP 83 Cb -0.02 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1t0y s ASP 83 CO -0.01 -0.50 1.39 0.58 -0.17 0.00 0.00 175.17 176.47 1t0y h VAL 84 N 5.35 1.20 -0.12 1.11 2.07 -1.09 -3.18 116.25 121.59 1t0y h VAL 84 Ca -0.25 -2.67 -0.06 0.00 0.82 0.00 0.00 66.70 64.54 1t0y h VAL 84 Cb 1.10 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1t0y h VAL 84 CO 0.87 0.68 -0.20 0.74 0.02 0.00 0.00 177.57 179.68 1t0y h THR 85 N 0.00 1.21 -0.22 2.57 2.02 -1.92 -0.60 112.91 115.97 1t0y h THR 85 Ca -0.01 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1t0y h THR 85 Cb 1.52 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1t0y h THR 85 CO 0.09 0.29 0.00 0.61 0.37 0.00 0.00 175.52 176.88 1t0y n GLY 86 N -0.72 0.17 3.45 2.16 0.00 -1.24 -4.90 105.19 104.10 1t0y n GLY 86 Ca -0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 0.99 -0.54 3.72 -0.02 0.00 -0.23 -4.93 105.19 104.17 1t0y n GLY 87 Ca 0.12 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 1t0y n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t0y s ASN 88 N -3.13 7.20 0.00 1.61 0.01 -1.20 -4.42 114.94 115.02 1t0y s ASN 88 Ca 0.51 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 1t0y s ASN 88 Cb -0.23 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1t0y s ASN 88 CO 0.63 -0.17 0.00 -1.84 -1.51 0.00 0.00 177.10 174.21 1t0y n GLU 89 N 3.70 0.00 0.00 -0.60 0.28 -1.26 -4.86 120.64 117.91 1t0y n GLU 89 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1t0y n GLU 89 Cb 0.51 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.12 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50