#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 3.56 -0.29 2.03 -4.23 -1.26 -4.91 115.64 110.54 1t0y s THR 2 Ca 0.00 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1t0y s THR 2 Cb 0.00 -3.64 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1t0y s THR 2 CO 0.00 -0.33 0.11 -1.61 -0.54 0.00 0.00 174.62 172.26 1t0y s GLU 3 N 5.10 0.40 -0.02 3.99 2.02 -1.26 -5.07 118.70 123.86 1t0y s GLU 3 Ca 0.76 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 55.03 1t0y s GLU 3 Cb -0.25 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.48 1t0y s GLU 3 CO 0.32 -0.98 0.04 0.14 0.02 0.00 0.00 175.26 174.80 1t0y s VAL 4 N 1.91 -0.06 -0.05 2.63 -7.23 -1.26 0.06 120.40 116.40 1t0y s VAL 4 Ca 0.09 0.22 0.01 0.00 -1.81 0.00 0.00 61.98 60.48 1t0y s VAL 4 Cb -0.17 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 1t0y s VAL 4 CO -0.31 0.09 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.21 1t0y s TYR 5 N 1.09 2.98 -0.35 2.82 2.02 0.10 -4.87 117.35 121.15 1t0y s TYR 5 Ca -0.09 0.05 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 1t0y s TYR 5 Cb -0.13 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1t0y s TYR 5 CO -0.03 0.38 0.51 -0.51 -1.57 0.00 0.00 175.55 174.32 1t0y s ASP 6 N -1.03 6.32 -0.06 2.29 1.11 -1.26 -0.54 116.67 123.50 1t0y s ASP 6 Ca 0.14 -0.01 -0.02 0.00 0.18 0.00 0.00 52.55 52.83 1t0y s ASP 6 Cb -0.11 -2.27 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 1t0y s ASP 6 CO 0.04 -0.47 0.06 -0.76 1.18 0.00 0.00 175.17 175.22 1t0y s LEU 7 N 2.38 3.88 -0.28 1.23 1.02 -0.15 -0.28 118.68 126.48 1t0y s LEU 7 Ca 0.19 0.22 -0.05 0.00 0.02 0.00 0.00 54.13 54.51 1t0y s LEU 7 Cb -0.15 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 44.03 1t0y s LEU 7 CO 0.13 0.35 0.03 -0.70 0.02 0.00 0.00 176.35 176.18 1t0y s GLU 8 N -1.24 2.97 -0.17 1.70 -6.30 -0.25 -0.89 118.70 114.52 1t0y s GLU 8 Ca 0.17 -0.92 -0.06 0.00 -2.50 0.00 0.00 54.97 51.66 1t0y s GLU 8 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 34.13 30.74 1t0y s GLU 8 CO 0.07 -0.44 0.02 0.42 0.02 0.00 0.00 175.26 175.35 1t0y s ILE 9 N 1.43 4.45 0.12 -3.70 1.09 0.19 -0.25 121.20 124.53 1t0y s ILE 9 Ca 0.01 -0.16 0.09 0.00 -1.10 0.00 0.00 60.65 59.50 1t0y s ILE 9 Cb -0.17 -2.98 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 1t0y s ILE 9 CO 0.00 0.48 -0.18 0.42 -0.10 0.00 0.00 174.94 175.56 1t0y s THR 10 N 0.34 2.84 0.22 2.92 -4.23 0.31 -2.92 115.64 115.13 1t0y s THR 10 Ca 0.00 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1t0y s THR 10 Cb -0.13 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 1t0y s THR 10 CO 0.01 0.10 0.06 0.42 -0.54 0.00 0.00 174.62 174.67 1t0y s THR 11 N -1.15 0.55 -0.26 3.99 -4.23 -0.95 0.35 115.64 113.94 1t0y s THR 11 Ca 0.18 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.91 1t0y s THR 11 Cb -0.11 -2.40 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1t0y s THR 11 CO 0.10 -0.21 1.60 -0.55 -0.54 0.00 0.00 174.62 175.02 1t0y h ASN 12 N 2.54 0.00 0.01 3.99 -1.07 -1.89 -3.28 115.58 115.88 1t0y h ASN 12 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.00 1t0y h ASN 12 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1t0y h ASN 12 CO 0.61 0.20 -0.01 0.00 0.07 0.00 0.00 177.43 178.30 1t0y h ALA 13 N 1.80 -0.02 -3.26 4.14 0.00 -1.95 -3.42 119.26 116.56 1t0y h ALA 13 Ca -0.00 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 54.01 1t0y h ALA 13 Cb 1.08 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.54 1t0y h ALA 13 CO 0.03 -0.28 -0.87 0.95 0.00 0.00 0.00 179.25 179.07 1t0y s THR 14 N -4.38 2.02 -2.34 0.00 -4.23 -1.24 -4.98 115.64 100.49 1t0y s THR 14 Ca -0.16 -0.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 1t0y s THR 14 Cb 0.02 -1.77 0.45 0.00 1.34 0.00 0.00 72.50 72.54 1t0y s THR 14 CO 0.67 0.55 1.44 -0.67 -0.54 0.00 0.00 174.62 176.06 1t0y n ASP 15 N 3.86 3.05 -4.82 3.99 2.03 -1.26 -2.23 116.55 121.17 1t0y n ASP 15 Ca -0.20 -1.94 -0.36 0.00 0.52 0.00 0.00 54.79 52.81 1t0y n ASP 15 Cb 0.52 -0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.61 1t0y n ASP 15 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1t0y s PHE 16 N -1.49 3.68 0.03 -0.67 0.08 -1.26 -4.98 117.98 113.36 1t0y s PHE 16 Ca 0.38 1.30 -0.30 0.00 0.12 0.00 0.00 56.93 58.42 1t0y s PHE 16 Cb 0.21 -2.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.06 1t0y s PHE 16 CO 0.30 0.41 1.48 -2.14 -0.10 0.00 0.00 175.22 175.16 1t0y s PRO 17 N -1.79 4.26 -0.15 0.24 0.02 -1.26 -4.74 135.00 131.58 1t0y s PRO 17 Ca 0.39 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1t0y s PRO 17 Cb -0.17 -3.57 0.02 0.00 0.02 0.00 0.00 34.50 30.80 1t0y s PRO 17 CO 0.21 -0.62 -0.17 1.41 -0.33 0.00 0.00 177.00 177.50 1t0y s MET 18 N 2.42 2.56 -0.09 5.54 1.75 -1.15 -4.97 119.30 125.36 1t0y s MET 18 Ca 0.67 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 54.46 1t0y s MET 18 Cb -0.34 -2.23 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 1t0y s MET 18 CO 0.28 -0.17 -0.13 -1.83 -0.65 0.00 0.00 175.02 172.52 1t0y s GLU 19 N 1.25 2.97 -0.09 4.11 -1.05 -1.26 0.57 118.70 125.19 1t0y s GLU 19 Ca 0.01 -0.69 -0.08 0.00 -0.15 0.00 0.00 54.97 54.07 1t0y s GLU 19 Cb -0.14 -2.52 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 1t0y s GLU 19 CO -0.08 0.41 0.24 0.21 0.95 0.00 0.00 175.26 176.99 1t0y s LYS 20 N -0.18 0.26 -0.21 -4.83 2.36 -0.07 -4.96 119.74 112.11 1t0y s LYS 20 Ca -0.00 0.36 -0.13 0.00 -2.55 0.00 0.00 55.97 53.65 1t0y s LYS 20 Cb -0.13 0.09 -0.04 0.00 -1.05 0.00 0.00 37.83 36.69 1t0y s LYS 20 CO 0.03 -0.06 0.28 0.21 1.55 0.00 0.00 175.35 177.36 1t0y s LYS 21 N 0.33 4.14 0.14 4.03 2.20 -1.26 -0.98 119.74 128.34 1t0y s LYS 21 Ca -0.02 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.65 1t0y s LYS 21 Cb -0.03 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1t0y s LYS 21 CO -0.01 0.04 -0.20 0.71 -0.36 0.00 0.00 175.35 175.53 1t0y s TYR 22 N 1.09 1.83 0.47 4.03 1.51 0.30 -4.92 117.35 121.66 1t0y s TYR 22 Ca 0.13 -0.44 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 1t0y s TYR 22 Cb -0.14 -0.95 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 1t0y s TYR 22 CO 0.06 0.28 1.30 -2.14 -1.11 0.00 0.00 175.55 173.94 1t0y s PRO 23 N -2.41 3.60 0.43 -1.71 0.02 -1.26 0.01 135.00 133.67 1t0y s PRO 23 Ca 0.12 2.11 0.09 0.00 0.02 0.00 0.00 61.00 63.34 1t0y s PRO 23 Cb -0.08 -2.48 0.93 0.00 0.02 0.00 0.00 34.50 32.89 1t0y s PRO 23 CO 0.06 -0.78 2.06 0.00 -0.33 0.00 0.00 177.00 178.00 1t0y h ALA 24 N 2.06 1.79 -0.42 -1.55 0.00 -0.71 -1.68 119.26 118.75 1t0y h ALA 24 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1t0y h ALA 24 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1t0y h ALA 24 CO 0.60 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1t0y n GLY 25 N -1.49 0.99 3.86 0.00 0.00 -1.26 -1.45 105.19 105.84 1t0y n GLY 25 Ca 0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.44 3.71 0.21 1.61 0.00 -0.63 -4.80 119.30 117.95 1t0y s MET 26 Ca 0.29 0.78 -0.24 0.00 0.00 0.00 0.00 55.69 56.52 1t0y s MET 26 Cb 0.15 -2.12 -0.08 0.00 0.00 0.00 0.00 34.83 32.78 1t0y s MET 26 CO 0.20 -0.45 0.80 -1.12 0.00 0.00 0.00 175.02 174.46 1t0y s SER 27 N -3.80 7.32 0.36 1.11 0.01 -1.26 -1.97 113.70 115.47 1t0y s SER 27 Ca 0.56 1.64 0.08 0.00 1.31 0.00 0.00 55.95 59.54 1t0y s SER 27 Cb -0.11 -2.50 0.70 0.00 0.21 0.00 0.00 66.02 64.33 1t0y s SER 27 CO 0.46 0.12 1.87 0.25 0.41 0.00 0.00 173.24 176.36 1t0y h LEU 28 N 3.93 0.27 -1.23 2.44 7.12 -1.57 -1.50 115.31 124.76 1t0y h LEU 28 Ca -0.47 -0.06 -0.05 0.00 0.13 0.00 0.00 57.88 57.42 1t0y h LEU 28 Cb 1.20 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1t0y h LEU 28 CO 0.66 0.45 -0.05 0.78 -0.13 0.00 0.00 178.44 180.15 1t0y h ASN 29 N 0.27 0.44 0.48 1.25 2.35 -1.82 0.21 115.58 118.75 1t0y h ASN 29 Ca 0.05 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1t0y h ASN 29 Cb 0.44 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1t0y h ASN 29 CO 0.03 0.55 -0.62 -0.78 -1.65 0.00 0.00 177.43 174.95 1t0y h ASP 30 N 0.44 0.16 -0.08 5.81 1.82 -1.63 0.83 116.42 123.77 1t0y h ASP 30 Ca 0.09 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1t0y h ASP 30 Cb 0.38 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1t0y h ASP 30 CO 0.02 0.74 0.02 0.25 -1.61 0.00 0.00 179.24 178.66 1t0y h LEU 31 N 0.10 0.12 -0.70 2.28 7.12 -0.33 -1.62 115.31 122.28 1t0y h LEU 31 Ca -0.01 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 1t0y h LEU 31 Cb 1.12 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.19 1t0y h LEU 31 CO 0.09 0.31 0.42 0.11 -0.13 0.00 0.00 178.44 179.24 1t0y h LYS 32 N -0.08 0.95 -0.54 1.25 1.57 -0.44 -2.06 116.57 117.22 1t0y h LYS 32 Ca 0.02 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1t0y h LYS 32 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1t0y h LYS 32 CO 0.00 0.68 0.36 -0.22 -0.57 0.00 0.00 179.45 179.70 1t0y h LYS 33 N 0.96 0.69 -0.17 3.15 1.63 -0.59 0.92 116.57 123.16 1t0y h LYS 33 Ca 0.25 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.84 1t0y h LYS 33 Cb -0.02 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1t0y h LYS 33 CO -0.05 0.45 -0.58 -0.22 -3.45 0.00 0.00 179.45 175.61 1t0y h LYS 34 N 0.71 0.54 -0.28 1.90 3.11 -0.79 -0.65 116.57 121.10 1t0y h LYS 34 Ca 0.20 -0.35 -0.11 0.00 -2.81 0.00 0.00 60.65 57.57 1t0y h LYS 34 Cb -0.05 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1t0y h LYS 34 CO -0.05 0.96 -0.27 -0.07 -2.81 0.00 0.00 179.45 177.22 1t0y h LEU 35 N 0.40 0.72 -1.16 5.20 3.38 -0.37 -2.89 115.31 120.60 1t0y h LEU 35 Ca 0.00 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.59 1t0y h LEU 35 Cb 1.13 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1t0y h LEU 35 CO 0.11 1.05 0.59 -0.33 0.09 0.00 0.00 178.44 179.94 1t0y h GLU 36 N 0.42 0.92 -0.22 1.13 5.08 0.10 0.33 114.58 122.34 1t0y h GLU 36 Ca 0.05 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1t0y h GLU 36 Cb 0.84 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1t0y h GLU 36 CO 0.07 0.61 -0.27 1.25 -1.00 0.00 0.00 179.01 179.67 1t0y h LEU 37 N 0.95 0.43 0.13 1.33 5.85 -1.00 0.23 115.31 123.23 1t0y h LEU 37 Ca 0.42 -0.15 -0.33 0.00 0.84 0.00 0.00 57.88 58.66 1t0y h LEU 37 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1t0y h LEU 37 CO -0.18 0.69 -1.76 0.58 -0.34 0.00 0.00 178.44 177.43 1t0y h VAL 38 N 0.38 0.81 0.00 1.05 2.07 -1.04 -3.38 116.25 116.14 1t0y h VAL 38 Ca 0.05 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1t0y h VAL 38 Cb 0.67 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1t0y h VAL 38 CO 0.05 0.81 -0.99 0.52 0.02 0.00 0.00 177.57 177.98 1t0y n VAL 39 N -3.68 0.26 -0.91 2.57 0.31 0.10 -4.94 118.33 112.04 1t0y n VAL 39 Ca -0.29 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1t0y n VAL 39 Cb 1.00 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.98 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 1.33 0.86 3.69 2.92 0.00 0.81 -5.02 105.19 109.78 1t0y n GLY 40 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.39 2.07 0.43 2.61 2.01 -1.19 -4.99 115.64 113.20 1t0y s THR 41 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1t0y s THR 41 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1t0y s THR 41 CO 0.00 -0.03 0.15 -0.89 -0.69 0.00 0.00 174.62 173.16 1t0y s THR 42 N -3.01 2.08 0.07 -0.82 2.01 -1.26 -4.61 115.64 110.11 1t0y s THR 42 Ca 0.65 -1.77 -0.22 0.00 0.31 0.00 0.00 61.69 60.66 1t0y s THR 42 Cb -0.18 -2.85 -0.13 0.00 0.01 0.00 0.00 72.50 69.35 1t0y s THR 42 CO 0.57 0.00 1.61 0.58 -0.69 0.00 0.00 174.62 176.69 1t0y h VAL 43 N 1.43 1.14 0.00 3.82 2.07 -1.95 -1.41 116.25 121.35 1t0y h VAL 43 Ca -0.43 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 1t0y h VAL 43 Cb 1.26 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1t0y h VAL 43 CO 0.72 0.12 -0.75 -0.78 0.02 0.00 0.00 177.57 176.89 1t0y h ASP 44 N -0.02 0.00 0.04 0.57 3.58 -2.02 -2.96 116.42 115.61 1t0y h ASP 44 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1t0y h ASP 44 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1t0y h ASP 44 CO -0.00 0.75 -0.00 -1.20 -2.88 0.00 0.00 179.24 175.91 1t0y n SER 45 N -3.34 0.02 -4.25 2.28 7.64 -1.12 -4.58 113.62 110.28 1t0y n SER 45 Ca 0.01 -0.95 -0.36 0.00 1.01 0.00 0.00 58.87 58.58 1t0y n SER 45 Cb 0.82 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.04 2.72 -0.19 1.43 -2.45 -0.55 -0.66 119.30 117.56 1t0y s MET 46 Ca 0.47 -1.09 -0.11 0.00 -1.25 0.00 0.00 55.69 53.71 1t0y s MET 46 Cb 0.22 -3.26 -0.05 0.00 1.25 0.00 0.00 34.83 32.99 1t0y s MET 46 CO 0.38 -0.55 0.18 0.50 1.05 0.00 0.00 175.02 176.58 1t0y s ARG 47 N 1.37 4.19 -0.05 4.11 6.06 -0.68 -4.92 118.95 129.03 1t0y s ARG 47 Ca -0.01 -0.12 0.04 0.00 -2.50 0.00 0.00 55.73 53.13 1t0y s ARG 47 Cb -0.18 -3.41 -0.00 0.00 0.06 0.00 0.00 34.95 31.41 1t0y s ARG 47 CO 0.00 0.30 -0.17 0.42 -2.50 0.00 0.00 175.30 173.35 1t0y s ILE 48 N 0.35 1.43 -0.07 4.11 1.01 -1.26 -0.28 121.20 126.49 1t0y s ILE 48 Ca 0.11 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1t0y s ILE 48 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1t0y s ILE 48 CO -0.00 0.41 -0.09 -1.10 0.00 0.00 0.00 174.94 174.16 1t0y s GLN 49 N 0.11 2.73 -0.30 2.79 -0.21 0.19 -1.90 119.66 123.07 1t0y s GLN 49 Ca -0.05 -0.59 -0.06 0.00 0.02 0.00 0.00 55.36 54.67 1t0y s GLN 49 Cb -0.12 -2.55 0.01 0.00 1.00 0.00 0.00 33.01 31.36 1t0y s GLN 49 CO 0.03 0.63 0.07 -1.17 -2.12 0.00 0.00 175.29 172.73 1t0y s LEU 50 N -0.72 3.86 -0.20 2.90 0.20 -0.68 -0.18 118.68 123.87 1t0y s LEU 50 Ca 0.11 -0.76 -0.06 0.00 0.69 0.00 0.00 54.13 54.11 1t0y s LEU 50 Cb -0.11 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1t0y s LEU 50 CO 0.01 -0.20 0.02 -0.36 -0.29 0.00 0.00 176.35 175.53 1t0y s PHE 51 N 1.48 3.09 0.10 5.38 0.08 -0.05 -1.32 117.98 126.74 1t0y s PHE 51 Ca 0.02 -0.32 -0.32 0.00 0.12 0.00 0.00 56.93 56.43 1t0y s PHE 51 Cb -0.17 -2.10 -0.14 0.00 -0.57 0.00 0.00 43.02 40.04 1t0y s PHE 51 CO 0.02 -0.16 1.60 0.22 -0.10 0.00 0.00 175.22 176.80 1t0y h ASP 52 N 7.38 -1.07 0.00 1.36 1.82 -1.84 -0.37 116.42 123.70 1t0y h ASP 52 Ca -0.36 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1t0y h ASP 52 Cb 1.18 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1t0y h ASP 52 CO 0.62 -0.53 0.00 0.61 -1.61 0.00 0.00 179.24 178.33 1t0y n GLY 53 N -1.49 -0.10 3.42 -0.78 0.00 -1.26 -4.14 105.19 100.85 1t0y n GLY 53 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1t0y n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t0y s ASP 54 N -4.75 -0.50 0.00 1.61 2.15 -1.26 -4.67 116.67 109.24 1t0y s ASP 54 Ca 0.00 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1t0y s ASP 54 Cb 0.00 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1t0y s ASP 54 CO 0.00 -0.71 0.00 -0.67 -0.17 0.00 0.00 175.17 173.62 1t0y n ASP 55 N 0.47 0.00 -4.73 -0.34 2.03 -1.26 -4.87 116.55 107.85 1t0y n ASP 55 Ca -0.18 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 1t0y n ASP 55 Cb 0.60 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 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 4.44 -0.01 -0.67 1.03 -1.26 -5.03 119.66 118.16 1t0y s GLN 56 Ca 0.00 0.92 -0.26 0.00 0.04 0.00 0.00 55.36 56.06 1t0y s GLN 56 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 33.01 29.60 1t0y s GLN 56 CO 0.00 0.18 0.82 -1.17 -2.54 0.00 0.00 175.29 172.59 1t0y s LEU 57 N 0.36 4.38 -0.18 2.60 2.96 -1.26 -3.65 118.68 123.89 1t0y s LEU 57 Ca 0.37 1.45 -0.09 0.00 -0.22 0.00 0.00 54.13 55.64 1t0y s LEU 57 Cb -0.19 -3.31 -0.22 0.00 0.50 0.00 0.00 46.19 42.98 1t0y s LEU 57 CO 0.20 -0.13 0.15 0.29 -1.32 0.00 0.00 176.35 175.54 1t0y n LYS 58 N 3.52 0.68 -3.16 1.98 4.76 -0.43 -4.97 118.16 120.54 1t0y n LYS 58 Ca 0.01 0.30 -0.03 0.00 -2.87 0.00 0.00 58.31 55.73 1t0y n LYS 58 Cb 0.51 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1t0y n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t0y n GLY 59 N 1.86 0.88 3.25 0.72 0.00 -1.23 -5.07 105.19 105.61 1t0y n GLY 59 Ca -0.37 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.04 1.70 0.00 1.61 2.12 -1.26 -1.68 118.70 119.14 1t0y s GLU 60 Ca 0.16 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1t0y s GLU 60 Cb -0.02 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1t0y s GLU 60 CO 0.05 0.46 0.00 1.28 -0.54 0.00 0.00 175.26 176.51 1t0y n LEU 61 N 2.33 0.00 0.00 2.70 7.99 -0.80 -4.78 117.00 124.44 1t0y n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 1t0y n LEU 61 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1t0y n LEU 61 CO 0.23 0.00 0.00 0.41 -1.51 0.00 0.00 177.39 176.52 1t0y n THR 62 N 0.00 0.00 -3.45 -5.08 -1.04 -1.26 -4.84 114.28 98.61 1t0y n THR 62 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1t0y n THR 62 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.84 6.08 0.00 8.00 1.11 -1.26 -4.90 116.67 122.86 1t0y s ASP 63 Ca 0.00 -1.12 0.06 0.00 0.18 0.00 0.00 52.55 51.67 1t0y s ASP 63 Cb 0.00 -2.15 0.15 0.00 1.07 0.00 0.00 42.92 41.99 1t0y s ASP 63 CO 0.00 -0.53 1.08 0.61 1.18 0.00 0.00 175.17 177.50 1t0y n GLY 64 N 5.16 2.34 0.13 0.21 0.00 -1.26 -4.23 105.19 107.54 1t0y n GLY 64 Ca -0.12 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 1.12 0.89 -2.00 4.61 0.00 -1.96 -3.25 119.26 118.67 1t0y h ALA 65 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1t0y h ALA 65 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1t0y h ALA 65 CO 0.00 0.00 -0.16 0.15 0.00 0.00 0.00 179.25 179.24 1t0y s LYS 66 N -3.17 3.09 0.67 0.00 3.01 -1.26 -5.00 119.74 117.08 1t0y s LYS 66 Ca 0.08 -0.63 -0.01 0.00 -1.01 0.00 0.00 55.97 54.40 1t0y s LYS 66 Cb 0.10 -2.63 0.09 0.00 -1.01 0.00 0.00 37.83 34.38 1t0y s LYS 66 CO 0.65 -0.17 0.93 -1.54 0.51 0.00 0.00 175.35 175.74 1t0y s SER 67 N -4.20 4.67 0.31 2.83 1.04 -1.26 -3.16 113.70 113.93 1t0y s SER 67 Ca 0.47 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.75 1t0y s SER 67 Cb -0.10 -0.40 0.50 0.00 0.10 0.00 0.00 66.02 66.12 1t0y s SER 67 CO 0.36 -1.62 1.88 -0.07 0.98 0.00 0.00 173.24 174.77 1t0y h LEU 68 N -0.36 0.71 -0.31 2.42 3.38 -0.96 -1.51 115.31 118.67 1t0y h LEU 68 Ca -0.39 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1t0y h LEU 68 Cb 1.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1t0y h LEU 68 CO 0.46 0.66 -0.29 0.50 0.09 0.00 0.00 178.44 179.87 1t0y h LYS 69 N 0.76 0.75 -0.31 1.13 3.64 -1.43 0.23 116.57 121.34 1t0y h LYS 69 Ca 0.18 -0.39 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 1t0y h LYS 69 Cb 0.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1t0y h LYS 69 CO -0.01 1.01 -0.28 0.22 -2.27 0.00 0.00 179.45 178.11 1t0y h ASP 70 N 0.51 0.66 0.94 4.20 1.82 -1.75 -2.32 116.42 120.48 1t0y h ASP 70 Ca 0.05 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1t0y h ASP 70 Cb 0.86 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1t0y h ASP 70 CO 0.07 0.91 0.00 0.18 -1.61 0.00 0.00 179.24 178.79 1t0y n LEU 71 N -4.09 0.51 0.00 2.28 4.77 -0.60 -4.88 117.00 114.99 1t0y n LEU 71 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1t0y n LEU 71 Cb 0.45 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1t0y n LEU 71 CO 0.44 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1t0y n GLY 72 N 0.57 0.71 3.50 -0.72 0.00 -0.87 -5.02 105.19 103.36 1t0y n GLY 72 Ca 0.04 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 4.57 0.21 1.61 1.01 0.76 -5.01 120.40 121.54 1t0y s VAL 73 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1t0y s VAL 73 Cb 0.00 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1t0y s VAL 73 CO 0.00 -0.98 0.19 0.54 0.00 0.00 0.00 175.10 174.85 1t0y n ARG 74 N 6.98 1.11 -2.47 2.72 1.74 -1.26 -4.26 116.66 121.21 1t0y n ARG 74 Ca -0.01 -1.26 -0.38 0.00 -0.77 0.00 0.00 57.85 55.44 1t0y n ARG 74 Cb 0.47 0.08 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 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 -2.24 6.78 0.00 0.55 -4.77 -1.26 -3.04 116.67 112.69 1t0y s ASP 75 Ca 0.14 2.15 0.00 0.00 -3.30 0.00 0.00 52.55 51.54 1t0y s ASP 75 Cb -0.01 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1t0y s ASP 75 CO 0.09 -0.48 0.00 0.61 0.70 0.00 0.00 175.17 176.09 1t0y n GLY 76 N 0.56 0.81 3.84 2.12 0.00 0.62 -4.90 105.19 108.24 1t0y n GLY 76 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.11 3.38 -0.23 1.61 1.51 -1.17 -4.73 117.35 114.62 1t0y s TYR 77 Ca 0.00 1.41 -0.08 0.00 -1.01 0.00 0.00 57.07 57.39 1t0y s TYR 77 Cb 0.00 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1t0y s TYR 77 CO 0.00 -0.13 0.08 1.03 -1.11 0.00 0.00 175.55 175.42 1t0y s ARG 78 N -3.45 3.77 -0.29 -0.62 0.52 -0.15 -1.10 118.95 117.65 1t0y s ARG 78 Ca 0.58 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.32 1t0y s ARG 78 Cb -0.10 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.08 1t0y s ARG 78 CO 0.21 -0.04 0.03 0.42 0.02 0.00 0.00 175.30 175.94 1t0y s ILE 79 N 1.24 3.53 -0.27 1.52 -1.09 0.65 -0.87 121.20 125.91 1t0y s ILE 79 Ca 0.05 -0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.50 1t0y s ILE 79 Cb -0.14 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1t0y s ILE 79 CO 0.04 0.07 0.08 -2.28 -1.23 0.00 0.00 174.94 171.62 1t0y s HIS 80 N 1.42 3.12 -0.10 3.97 5.65 0.75 -0.53 115.29 129.56 1t0y s HIS 80 Ca 0.01 -0.67 -0.02 0.00 0.25 0.00 0.00 55.06 54.62 1t0y s HIS 80 Cb -0.17 -2.26 -0.03 0.00 -1.18 0.00 0.00 32.58 28.93 1t0y s HIS 80 CO 0.00 -0.46 -0.00 0.00 -0.65 0.00 0.00 174.74 173.63 1t0y s ALA 81 N 1.57 3.25 -0.04 1.58 0.00 0.16 0.56 121.76 128.83 1t0y s ALA 81 Ca 0.05 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1t0y s ALA 81 Cb -0.16 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1t0y s ALA 81 CO 0.03 0.50 -0.16 0.54 0.00 0.00 0.00 175.76 176.67 1t0y s VAL 82 N -0.59 1.35 -0.32 0.00 0.11 0.62 -2.55 120.40 119.01 1t0y s VAL 82 Ca 0.10 -0.67 -0.22 0.00 -2.93 0.00 0.00 61.98 58.26 1t0y s VAL 82 Cb -0.12 -1.17 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1t0y s VAL 82 CO 0.02 0.39 0.71 -0.62 -3.33 0.00 0.00 175.10 172.28 1t0y s ASP 83 N 0.10 6.55 -0.01 3.54 -1.08 -1.26 -1.68 116.67 122.84 1t0y s ASP 83 Ca -0.05 0.46 0.14 0.00 -0.52 0.00 0.00 52.55 52.58 1t0y s ASP 83 Cb -0.12 -2.37 0.42 0.00 -1.46 0.00 0.00 42.92 39.40 1t0y s ASP 83 CO 0.02 -0.59 1.35 0.55 0.52 0.00 0.00 175.17 177.03 1t0y n VAL 84 N 5.54 1.06 0.08 1.11 3.14 0.16 -2.29 118.33 127.13 1t0y n VAL 84 Ca 0.01 -1.03 -0.02 0.00 -2.96 0.00 0.00 64.34 60.34 1t0y n VAL 84 Cb 0.48 0.47 0.23 0.00 -1.06 0.00 0.00 33.84 33.97 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 2.71 1.29 -0.37 1.55 2.02 -1.89 -1.47 112.91 116.75 1t0y h THR 85 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1t0y h THR 85 Cb 0.84 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1t0y h THR 85 CO 0.01 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1t0y n GLY 86 N -0.27 3.34 3.52 2.16 0.00 -1.26 -4.96 105.19 107.72 1t0y n GLY 86 Ca -0.01 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 0.17 -0.40 3.85 -0.02 0.00 -0.55 -4.98 105.19 103.26 1t0y n GLY 87 Ca 0.19 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.10 6.76 -1.67 1.61 0.01 -0.97 -4.17 114.94 112.41 1t0y s ASN 88 Ca 0.15 0.93 0.00 0.00 -0.71 0.00 0.00 52.86 53.23 1t0y s ASN 88 Cb -0.07 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1t0y s ASN 88 CO 0.74 0.24 0.00 -0.62 -1.51 0.00 0.00 177.10 175.95 1t0y n GLU 89 N 1.35 -1.15 0.00 -0.60 -0.58 -1.26 -4.55 120.64 113.85 1t0y n GLU 89 Ca -0.11 1.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 1t0y n GLU 89 Cb 0.52 -5.24 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18