#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 4.82 -0.22 1.12 2.01 -1.26 -5.03 115.64 117.08 1t0y s THR 2 Ca 0.00 1.34 -0.12 0.00 0.31 0.00 0.00 61.69 63.22 1t0y s THR 2 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1t0y s THR 2 CO 0.00 0.44 0.22 -0.70 -0.69 0.00 0.00 174.62 173.88 1t0y s GLU 3 N -0.37 4.13 0.00 4.92 2.56 -1.26 -5.03 118.70 123.65 1t0y s GLU 3 Ca 0.32 -0.13 0.04 0.00 0.00 0.00 0.00 54.97 55.21 1t0y s GLU 3 Cb -0.19 -3.51 -0.01 0.00 2.00 0.00 0.00 34.13 32.41 1t0y s GLU 3 CO 0.19 0.09 -0.14 0.14 -0.56 0.00 0.00 175.26 174.98 1t0y s VAL 4 N 0.96 1.10 -0.01 3.70 -7.23 -1.26 0.56 120.40 118.22 1t0y s VAL 4 Ca 0.11 -0.69 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1t0y s VAL 4 Cb -0.13 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 1t0y s VAL 4 CO 0.04 0.24 -0.19 -0.72 -0.31 0.00 0.00 175.10 174.16 1t0y s TYR 5 N -0.44 1.74 -0.17 2.82 1.13 0.89 -4.80 117.35 118.52 1t0y s TYR 5 Ca 0.05 -0.33 -0.12 0.00 -1.41 0.00 0.00 57.07 55.26 1t0y s TYR 5 Cb -0.06 -1.11 -0.05 0.00 -1.10 0.00 0.00 41.96 39.64 1t0y s TYR 5 CO -0.00 -0.02 0.21 0.34 -2.51 0.00 0.00 175.55 173.57 1t0y s ASP 6 N -0.53 6.34 0.16 -0.18 2.15 -1.26 -0.47 116.67 122.88 1t0y s ASP 6 Ca 0.07 0.39 0.08 0.00 0.43 0.00 0.00 52.55 53.52 1t0y s ASP 6 Cb -0.08 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1t0y s ASP 6 CO -0.00 0.17 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.24 1t0y s LEU 7 N 0.27 2.45 -0.25 -1.34 1.43 0.24 0.13 118.68 121.62 1t0y s LEU 7 Ca 0.13 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1t0y s LEU 7 Cb -0.12 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 1t0y s LEU 7 CO 0.01 -0.09 0.00 -0.70 0.23 0.00 0.00 176.35 175.80 1t0y s GLU 8 N -2.95 3.28 -0.14 1.70 2.12 -0.66 -1.28 118.70 120.77 1t0y s GLU 8 Ca 0.15 -0.70 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1t0y s GLU 8 Cb -0.04 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1t0y s GLU 8 CO 0.06 -0.28 0.22 0.42 -0.54 0.00 0.00 175.26 175.13 1t0y s ILE 9 N 1.48 5.36 0.21 -3.70 -1.09 0.16 -0.44 121.20 123.19 1t0y s ILE 9 Ca 0.04 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.92 1t0y s ILE 9 Cb -0.15 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1t0y s ILE 9 CO -0.01 0.50 -0.12 0.42 -1.23 0.00 0.00 174.94 174.49 1t0y s THR 10 N -0.21 1.65 0.18 2.92 -4.23 0.27 -0.72 115.64 115.50 1t0y s THR 10 Ca 0.15 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 1t0y s THR 10 Cb -0.13 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 1t0y s THR 10 CO 0.03 -0.56 0.32 -0.89 -0.54 0.00 0.00 174.62 172.99 1t0y s THR 11 N -3.02 0.05 0.01 3.99 2.01 -1.25 -0.20 115.64 117.22 1t0y s THR 11 Ca 0.23 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.88 1t0y s THR 11 Cb 0.00 -1.92 -0.25 0.00 0.01 0.00 0.00 72.50 70.35 1t0y s THR 11 CO 0.07 -0.22 0.88 -0.55 -0.69 0.00 0.00 174.62 174.11 1t0y h ASN 12 N 2.48 0.21 0.72 3.53 -1.07 -1.78 -3.34 115.58 116.33 1t0y h ASN 12 Ca -0.31 -0.31 -0.17 0.00 0.07 0.00 0.00 56.30 55.58 1t0y h ASN 12 Cb 1.24 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 37.40 1t0y h ASN 12 CO 0.46 1.26 -0.81 0.00 0.07 0.00 0.00 177.43 178.41 1t0y h ALA 13 N 0.71 0.65 -3.20 4.14 0.00 -1.94 -3.44 119.26 116.18 1t0y h ALA 13 Ca -0.21 -0.72 -0.65 0.00 0.00 0.00 0.00 54.91 53.33 1t0y h ALA 13 Cb 1.96 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 1t0y h ALA 13 CO 0.13 0.96 -0.60 0.95 0.00 0.00 0.00 179.25 180.69 1t0y s THR 14 N -3.22 4.50 -0.40 0.00 -4.23 -1.25 -4.99 115.64 106.04 1t0y s THR 14 Ca -0.01 -0.62 0.14 0.00 -1.18 0.00 0.00 61.69 60.03 1t0y s THR 14 Cb 0.11 -3.10 0.44 0.00 1.34 0.00 0.00 72.50 71.29 1t0y s THR 14 CO 0.80 0.26 1.35 -0.67 -0.54 0.00 0.00 174.62 175.81 1t0y n ASP 15 N 0.91 3.47 -4.15 3.99 2.03 -1.26 -4.25 116.55 117.29 1t0y n ASP 15 Ca -0.11 -2.68 -0.34 0.00 0.52 0.00 0.00 54.79 52.18 1t0y n ASP 15 Cb 0.52 -0.43 -0.14 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.21 3.20 0.25 -0.67 5.36 -1.26 -5.09 117.98 117.55 1t0y s PHE 16 Ca 0.35 -1.92 -0.30 0.00 -0.96 0.00 0.00 56.93 54.10 1t0y s PHE 16 Cb 0.26 -2.04 -0.09 0.00 -0.34 0.00 0.00 43.02 40.81 1t0y s PHE 16 CO 0.10 -0.81 1.32 -2.14 -1.46 0.00 0.00 175.22 172.23 1t0y s PRO 17 N 1.23 4.38 -0.17 10.12 0.02 -1.26 -4.82 135.00 144.50 1t0y s PRO 17 Ca -0.05 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.11 1t0y s PRO 17 Cb -0.19 -3.15 0.01 0.00 0.02 0.00 0.00 34.50 31.20 1t0y s PRO 17 CO -0.04 -0.23 -0.18 -1.64 -0.33 0.00 0.00 177.00 174.58 1t0y s MET 18 N -0.71 3.07 -0.21 5.54 -1.94 0.10 -4.91 119.30 120.25 1t0y s MET 18 Ca 0.54 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.59 1t0y s MET 18 Cb -0.38 -2.58 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1t0y s MET 18 CO 0.43 -0.11 0.27 -1.83 -0.01 0.00 0.00 175.02 173.77 1t0y s GLU 19 N 1.09 4.16 0.01 2.03 1.03 -1.26 0.38 118.70 126.14 1t0y s GLU 19 Ca -0.00 -0.02 -0.21 0.00 0.03 0.00 0.00 54.97 54.77 1t0y s GLU 19 Cb -0.14 -3.50 0.04 0.00 -0.80 0.00 0.00 34.13 29.73 1t0y s GLU 19 CO -0.07 0.09 0.47 0.21 -1.33 0.00 0.00 175.26 174.63 1t0y s LYS 20 N 0.95 0.91 -0.11 -4.83 2.20 -0.41 -5.00 119.74 113.46 1t0y s LYS 20 Ca 0.14 -0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 1t0y s LYS 20 Cb -0.14 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1t0y s LYS 20 CO 0.05 -0.30 0.09 0.21 -0.36 0.00 0.00 175.35 175.05 1t0y s LYS 21 N -1.87 3.28 0.16 4.03 2.20 -1.26 -0.59 119.74 125.69 1t0y s LYS 21 Ca -0.09 -0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1t0y s LYS 21 Cb -0.02 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1t0y s LYS 21 CO 0.02 0.75 -0.01 0.71 -0.36 0.00 0.00 175.35 176.47 1t0y s TYR 22 N -0.98 1.18 -0.01 4.03 2.02 0.38 -4.95 117.35 119.00 1t0y s TYR 22 Ca 0.15 -1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 55.55 1t0y s TYR 22 Cb -0.12 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1t0y s TYR 22 CO 0.04 -0.19 1.10 -2.14 -1.57 0.00 0.00 175.55 172.78 1t0y s PRO 23 N -3.90 4.45 0.13 -1.71 0.02 -1.26 -0.07 135.00 132.66 1t0y s PRO 23 Ca 0.22 1.58 0.27 0.00 0.02 0.00 0.00 61.00 63.09 1t0y s PRO 23 Cb 0.06 -3.47 0.94 0.00 0.02 0.00 0.00 34.50 32.05 1t0y s PRO 23 CO 0.03 -0.25 1.81 0.00 -0.33 0.00 0.00 177.00 178.26 1t0y n ALA 24 N 4.42 2.33 1.12 -1.55 0.00 0.19 -2.89 120.51 124.14 1t0y n ALA 24 Ca 0.09 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1t0y n ALA 24 Cb 0.48 -1.46 0.61 0.00 0.00 0.00 0.00 19.45 19.08 1t0y n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0y n GLY 25 N 1.38 -1.38 3.96 0.00 0.00 -1.23 0.03 105.19 107.94 1t0y n GLY 25 Ca 0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.87 2.32 0.50 1.61 0.00 -1.14 -4.75 119.30 114.97 1t0y s MET 26 Ca 0.18 -0.65 -0.11 0.00 0.00 0.00 0.00 55.69 55.11 1t0y s MET 26 Cb 0.19 -2.37 -0.06 0.00 0.00 0.00 0.00 34.83 32.60 1t0y s MET 26 CO 0.53 -0.97 0.89 -1.54 0.00 0.00 0.00 175.02 173.92 1t0y s SER 27 N -4.49 6.43 0.43 1.11 1.04 -1.26 -0.96 113.70 115.99 1t0y s SER 27 Ca 0.59 1.27 0.09 0.00 0.48 0.00 0.00 55.95 58.38 1t0y s SER 27 Cb -0.10 -2.39 0.92 0.00 0.10 0.00 0.00 66.02 64.56 1t0y s SER 27 CO 0.41 -0.59 2.06 0.25 0.98 0.00 0.00 173.24 176.35 1t0y h LEU 28 N 0.61 0.37 -1.98 2.42 5.85 -1.73 -2.11 115.31 118.74 1t0y h LEU 28 Ca -0.46 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1t0y h LEU 28 Cb 1.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1t0y h LEU 28 CO 0.62 0.29 0.10 0.78 -0.34 0.00 0.00 178.44 179.89 1t0y h ASN 29 N 0.43 0.02 0.01 1.25 2.35 -1.87 0.25 115.58 118.01 1t0y h ASN 29 Ca 0.11 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1t0y h ASN 29 Cb -0.01 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.36 1t0y h ASN 29 CO -0.02 0.01 -0.44 -0.78 -1.65 0.00 0.00 177.43 174.55 1t0y h ASP 30 N 0.02 0.37 -0.23 5.81 3.58 -1.75 -1.93 116.42 122.29 1t0y h ASP 30 Ca 0.07 -0.79 0.03 0.00 0.42 0.00 0.00 57.03 56.75 1t0y h ASP 30 Cb 0.24 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1t0y h ASP 30 CO -0.00 1.12 0.05 0.25 -2.88 0.00 0.00 179.24 177.78 1t0y h LEU 31 N -0.34 0.03 -0.91 2.28 7.12 -1.16 0.77 115.31 123.10 1t0y h LEU 31 Ca -0.06 0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.87 1t0y h LEU 31 Cb 1.19 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1t0y h LEU 31 CO 0.09 0.05 -0.51 0.07 -0.13 0.00 0.00 178.44 178.01 1t0y h LYS 32 N 0.15 0.10 -0.28 1.25 2.10 -0.67 -2.02 116.57 117.19 1t0y h LYS 32 Ca 0.10 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.64 1t0y h LYS 32 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1t0y h LYS 32 CO -0.13 0.58 -0.09 -0.22 -2.00 0.00 0.00 179.45 177.59 1t0y h LYS 33 N 0.08 0.45 -0.65 0.07 1.63 -0.46 0.84 116.57 118.54 1t0y h LYS 33 Ca 0.00 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1t0y h LYS 33 Cb 0.93 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 1t0y h LYS 33 CO 0.07 0.55 0.31 0.87 -3.45 0.00 0.00 179.45 177.81 1t0y h LYS 34 N 0.43 0.93 -0.26 1.90 6.56 -0.48 -0.51 116.57 125.13 1t0y h LYS 34 Ca 0.08 -0.14 -0.12 0.00 -1.06 0.00 0.00 60.65 59.42 1t0y h LYS 34 Cb 0.43 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1t0y h LYS 34 CO 0.02 0.74 -0.31 -0.07 -2.06 0.00 0.00 179.45 177.77 1t0y h LEU 35 N 0.89 0.73 -1.76 2.94 3.38 -0.53 -2.91 115.31 118.05 1t0y h LEU 35 Ca 0.22 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1t0y h LEU 35 Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1t0y h LEU 35 CO -0.03 1.07 0.34 -0.33 0.09 0.00 0.00 178.44 179.59 1t0y h GLU 36 N 0.40 0.26 -0.28 1.13 5.08 0.88 0.23 114.58 122.28 1t0y h GLU 36 Ca 0.04 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1t0y h GLU 36 Cb 0.89 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1t0y h GLU 36 CO 0.07 0.17 -0.43 1.25 -1.00 0.00 0.00 179.01 179.08 1t0y h LEU 37 N 0.27 0.76 0.19 1.33 5.85 -0.90 0.24 115.31 123.05 1t0y h LEU 37 Ca 0.23 -0.35 -0.31 0.00 0.84 0.00 0.00 57.88 58.29 1t0y h LEU 37 Cb 0.56 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 41.39 1t0y h LEU 37 CO -0.05 1.08 -1.45 0.58 -0.34 0.00 0.00 178.44 178.26 1t0y h VAL 38 N 0.57 1.16 0.00 1.05 2.07 -1.07 -3.36 116.25 116.67 1t0y h VAL 38 Ca 0.04 -2.56 -0.19 0.00 0.82 0.00 0.00 66.70 64.81 1t0y h VAL 38 Cb 0.97 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.63 1t0y h VAL 38 CO 0.09 0.79 -1.30 0.58 0.02 0.00 0.00 177.57 177.75 1t0y h VAL 39 N -0.03 0.77 0.00 2.57 2.07 -0.67 -3.48 116.25 117.48 1t0y h VAL 39 Ca -0.28 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1t0y h VAL 39 Cb 1.99 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1t0y h VAL 39 CO 0.19 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1t0y n GLY 40 N 1.40 0.77 3.90 2.17 0.00 0.84 -5.05 105.19 109.23 1t0y n GLY 40 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.87 2.00 0.44 2.61 2.01 -1.21 -5.01 115.64 113.61 1t0y s THR 41 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1t0y s THR 41 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1t0y s THR 41 CO 0.00 0.00 0.22 -0.89 -0.69 0.00 0.00 174.62 173.26 1t0y s THR 42 N -3.62 2.13 0.12 -0.82 2.01 -1.26 -4.65 115.64 109.54 1t0y s THR 42 Ca 0.64 -1.66 -0.20 0.00 0.31 0.00 0.00 61.69 60.78 1t0y s THR 42 Cb -0.10 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 1t0y s THR 42 CO 0.50 0.00 1.76 0.58 -0.69 0.00 0.00 174.62 176.77 1t0y h VAL 43 N 1.27 1.01 0.00 3.82 2.07 -1.96 -0.93 116.25 121.53 1t0y h VAL 43 Ca -0.42 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 1t0y h VAL 43 Cb 1.27 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1t0y h VAL 43 CO 0.67 0.03 -0.75 -0.78 0.02 0.00 0.00 177.57 176.77 1t0y h ASP 44 N 0.18 0.00 0.69 0.57 3.58 -2.02 -3.09 116.42 116.34 1t0y h ASP 44 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1t0y h ASP 44 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1t0y h ASP 44 CO -0.04 0.75 -0.22 -1.20 -2.88 0.00 0.00 179.24 175.65 1t0y n SER 45 N -3.29 0.28 -4.22 2.28 7.64 -1.10 -4.63 113.62 110.58 1t0y n SER 45 Ca 0.01 0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1t0y n SER 45 Cb 0.84 -0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.91 2.70 -0.12 1.43 -2.45 -0.37 -0.31 119.30 117.27 1t0y s MET 46 Ca 0.15 -1.09 -0.06 0.00 -1.25 0.00 0.00 55.69 53.44 1t0y s MET 46 Cb 0.19 -3.19 -0.04 0.00 1.25 0.00 0.00 34.83 33.04 1t0y s MET 46 CO 0.59 -0.52 0.11 0.50 1.05 0.00 0.00 175.02 176.74 1t0y s ARG 47 N 1.34 3.42 -0.20 4.11 6.06 0.39 -4.86 118.95 129.21 1t0y s ARG 47 Ca -0.02 -0.20 -0.03 0.00 -2.50 0.00 0.00 55.73 52.98 1t0y s ARG 47 Cb -0.18 -3.12 -0.01 0.00 0.06 0.00 0.00 34.95 31.69 1t0y s ARG 47 CO -0.01 0.71 -0.06 0.42 -2.50 0.00 0.00 175.30 173.86 1t0y s ILE 48 N -0.85 3.32 -0.07 4.11 1.09 -1.26 -0.16 121.20 127.38 1t0y s ILE 48 Ca 0.14 -0.52 0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1t0y s ILE 48 Cb -0.12 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.76 1t0y s ILE 48 CO 0.03 0.44 -0.10 -1.10 -0.10 0.00 0.00 174.94 174.12 1t0y s GLN 49 N 1.26 2.76 -0.22 2.79 -0.21 0.15 -2.10 119.66 124.09 1t0y s GLN 49 Ca 0.03 -0.61 -0.05 0.00 0.02 0.00 0.00 55.36 54.75 1t0y s GLN 49 Cb -0.14 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 1t0y s GLN 49 CO -0.02 0.60 0.01 -1.17 -2.12 0.00 0.00 175.29 172.58 1t0y s LEU 50 N -0.64 3.20 -0.18 2.90 0.20 -0.21 -0.78 118.68 123.17 1t0y s LEU 50 Ca 0.10 -0.26 -0.07 0.00 0.69 0.00 0.00 54.13 54.59 1t0y s LEU 50 Cb -0.11 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1t0y s LEU 50 CO 0.01 0.02 0.04 -0.36 -0.29 0.00 0.00 176.35 175.77 1t0y s PHE 51 N 1.29 3.19 0.97 5.38 0.40 -0.36 -1.12 117.98 127.73 1t0y s PHE 51 Ca 0.04 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1t0y s PHE 51 Cb -0.15 -2.06 0.17 0.00 0.51 0.00 0.00 43.02 41.49 1t0y s PHE 51 CO 0.01 0.08 1.09 0.34 0.70 0.00 0.00 175.22 177.44 1t0y s ASP 52 N 0.45 2.82 0.45 1.36 -1.08 0.62 -1.75 116.67 119.54 1t0y s ASP 52 Ca 0.02 1.24 0.24 0.00 -0.52 0.00 0.00 52.55 53.52 1t0y s ASP 52 Cb -0.13 -1.90 1.01 0.00 -1.46 0.00 0.00 42.92 40.44 1t0y s ASP 52 CO 0.01 -3.01 1.87 1.23 0.52 0.00 0.00 175.17 175.79 1t0y h GLY 53 N -1.81 0.00 0.49 2.66 0.00 -1.87 -3.14 103.07 99.40 1t0y h GLY 53 Ca -0.53 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1t0y h GLY 53 CO 0.57 0.00 -0.20 -1.80 0.00 0.00 0.00 176.54 175.11 1t0y h ASP 54 N 0.00 -0.47 0.00 0.19 1.82 -1.91 -3.49 116.42 112.56 1t0y h ASP 54 Ca -0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1t0y h ASP 54 Cb 0.67 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1t0y h ASP 54 CO 0.03 -0.04 0.00 -0.67 -1.61 0.00 0.00 179.24 176.95 1t0y n ASP 55 N -5.16 0.00 -4.75 2.28 2.03 -1.19 -5.16 116.55 104.61 1t0y n ASP 55 Ca -0.08 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.88 1t0y n ASP 55 Cb 0.26 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.71 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 2.67 -0.10 -0.67 -2.07 -1.26 -4.48 119.66 113.75 1t0y s GLN 56 Ca 0.00 1.67 -0.28 0.00 -1.82 0.00 0.00 55.36 54.94 1t0y s GLN 56 Cb 0.00 -1.91 -0.02 0.00 -1.09 0.00 0.00 33.01 29.99 1t0y s GLN 56 CO 0.00 -1.41 0.92 -1.17 -1.32 0.00 0.00 175.29 172.31 1t0y s LEU 57 N -4.63 4.26 -0.11 2.60 0.20 -1.26 -0.28 118.68 119.46 1t0y s LEU 57 Ca 0.73 1.43 -0.16 0.00 0.69 0.00 0.00 54.13 56.83 1t0y s LEU 57 Cb -0.27 -3.42 -0.27 0.00 -0.43 0.00 0.00 46.19 41.80 1t0y s LEU 57 CO 0.39 -0.36 0.53 0.11 -0.29 0.00 0.00 176.35 176.73 1t0y h LYS 58 N 7.05 0.23 0.00 1.98 1.79 -1.48 -3.47 116.57 122.67 1t0y h LYS 58 Ca -0.34 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 57.74 1t0y h LYS 58 Cb 1.16 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1t0y h LYS 58 CO 0.82 1.19 0.00 0.41 -1.08 0.00 0.00 179.45 180.79 1t0y n GLY 59 N 1.74 -0.53 3.73 3.86 0.00 -1.22 -5.05 105.19 107.72 1t0y n GLY 59 Ca -0.26 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.49 3.19 0.00 1.61 2.12 -1.26 -1.04 118.70 121.83 1t0y s GLU 60 Ca 0.00 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1t0y s GLU 60 Cb 0.00 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1t0y s GLU 60 CO 0.00 0.68 0.00 1.28 -0.54 0.00 0.00 175.26 176.68 1t0y n LEU 61 N 2.22 0.00 0.00 2.70 4.77 -0.89 -4.89 117.00 120.91 1t0y n LEU 61 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1t0y n LEU 61 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1t0y n LEU 61 CO 0.30 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.77 1t0y n THR 62 N 0.00 0.00 -3.65 -5.08 -1.04 -1.26 -4.95 114.28 98.30 1t0y n THR 62 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1t0y n THR 62 Cb 0.00 -0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 68.39 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 5.58 -0.07 8.00 1.01 -1.26 -4.87 116.67 121.72 1t0y s ASP 63 Ca 0.00 -1.17 0.13 0.00 0.71 0.00 0.00 52.55 52.22 1t0y s ASP 63 Cb 0.00 -1.96 0.37 0.00 1.01 0.00 0.00 42.92 42.34 1t0y s ASP 63 CO 0.00 -0.40 1.30 0.61 0.21 0.00 0.00 175.17 176.88 1t0y n GLY 64 N 4.92 3.33 0.14 0.21 0.00 -1.26 -4.29 105.19 108.23 1t0y n GLY 64 Ca -0.12 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 1.75 0.96 -5.73 4.61 0.00 -1.98 -3.37 119.26 115.49 1t0y h ALA 65 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1t0y h ALA 65 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1t0y h ALA 65 CO 0.08 0.00 -0.20 1.63 0.00 0.00 0.00 179.25 180.77 1t0y n LYS 66 N -2.50 0.76 -3.50 0.00 4.01 -1.26 -5.07 118.16 110.60 1t0y n LYS 66 Ca 0.05 -2.91 -0.26 0.00 -0.51 0.00 0.00 58.31 54.69 1t0y n LYS 66 Cb 0.46 0.21 -0.02 0.00 -0.51 0.00 0.00 35.03 35.17 1t0y n LYS 66 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1t0y s SER 67 N -3.85 6.35 0.53 4.39 0.01 -1.26 -3.96 113.70 115.91 1t0y s SER 67 Ca 0.32 0.46 0.26 0.00 1.31 0.00 0.00 55.95 58.30 1t0y s SER 67 Cb -0.03 -2.04 1.49 0.00 0.21 0.00 0.00 66.02 65.66 1t0y s SER 67 CO 0.20 -0.19 2.11 -0.07 0.41 0.00 0.00 173.24 175.71 1t0y h LEU 68 N 1.32 0.00 -0.01 2.44 3.38 0.04 0.11 115.31 122.59 1t0y h LEU 68 Ca -0.49 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 1t0y h LEU 68 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1t0y h LEU 68 CO 0.64 0.09 -0.68 0.50 0.09 0.00 0.00 178.44 179.08 1t0y h LYS 69 N 0.00 0.48 -0.07 1.13 3.11 -0.67 -0.96 116.57 119.59 1t0y h LYS 69 Ca -0.00 -0.50 -0.09 0.00 -2.81 0.00 0.00 60.65 57.24 1t0y h LYS 69 Cb 0.24 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1t0y h LYS 69 CO 0.01 1.15 -0.39 0.22 -2.81 0.00 0.00 179.45 177.63 1t0y h ASP 70 N 0.01 0.14 0.95 4.20 3.58 -1.52 -0.65 116.42 123.13 1t0y h ASP 70 Ca -0.08 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1t0y h ASP 70 Cb 1.38 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1t0y h ASP 70 CO 0.13 0.52 0.00 0.18 -2.88 0.00 0.00 179.24 177.19 1t0y n LEU 71 N -4.06 0.57 -2.80 2.28 4.77 0.28 -4.91 117.00 113.14 1t0y n LEU 71 Ca -0.02 0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 56.41 1t0y n LEU 71 Cb 0.44 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1t0y n LEU 71 CO 0.40 -0.36 0.14 0.61 -1.33 0.00 0.00 177.39 176.85 1t0y n GLY 72 N 0.52 -0.16 0.16 -0.72 0.00 -0.25 -4.93 105.19 99.82 1t0y n GLY 72 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1t0y n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1t0y h VAL 73 N -1.76 1.37 -2.81 1.61 2.07 -1.40 -3.50 116.25 111.83 1t0y h VAL 73 Ca -0.43 -1.72 0.33 0.00 0.82 0.00 0.00 66.70 65.70 1t0y h VAL 73 Cb 1.26 2.12 -0.10 0.00 -1.52 0.00 0.00 31.29 33.05 1t0y h VAL 73 CO 0.40 0.52 -0.59 0.54 0.02 0.00 0.00 177.57 178.45 1t0y n ARG 74 N -4.29 -2.57 -3.40 1.57 1.74 -1.26 -4.72 116.66 103.73 1t0y n ARG 74 Ca -0.07 1.80 -0.27 0.00 -0.77 0.00 0.00 57.85 58.54 1t0y n ARG 74 Cb 0.55 -3.11 -0.02 0.00 -1.02 0.00 0.00 32.46 28.86 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 -6.63 6.38 0.00 0.55 -4.77 -1.26 -4.22 116.67 106.73 1t0y s ASP 75 Ca 0.00 0.58 0.00 0.00 -3.30 0.00 0.00 52.55 49.83 1t0y s ASP 75 Cb 0.00 -2.09 0.00 0.00 -1.09 0.00 0.00 42.92 39.74 1t0y s ASP 75 CO 0.00 -0.21 0.00 0.61 0.70 0.00 0.00 175.17 176.27 1t0y n GLY 76 N -1.19 0.43 3.94 2.12 0.00 0.12 -4.86 105.19 105.74 1t0y n GLY 76 Ca -0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 3.43 -0.21 1.61 1.51 -1.23 -4.11 117.35 116.35 1t0y s TYR 77 Ca 0.00 0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1t0y s TYR 77 Cb 0.00 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1t0y s TYR 77 CO 0.00 0.49 -0.05 1.03 -1.11 0.00 0.00 175.55 175.90 1t0y s ARG 78 N -3.53 3.38 -0.28 -0.62 0.52 -0.72 -1.65 118.95 116.05 1t0y s ARG 78 Ca 0.34 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1t0y s ARG 78 Cb -0.10 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1t0y s ARG 78 CO 0.28 -0.14 0.10 0.42 0.02 0.00 0.00 175.30 175.98 1t0y s ILE 79 N 1.33 4.38 -0.25 1.52 -1.09 0.42 -1.22 121.20 126.28 1t0y s ILE 79 Ca 0.04 -0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 58.05 1t0y s ILE 79 Cb -0.14 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1t0y s ILE 79 CO -0.03 0.21 0.10 -2.28 -1.23 0.00 0.00 174.94 171.71 1t0y s HIS 80 N 1.60 3.14 -0.07 3.97 5.65 0.04 -0.57 115.29 129.05 1t0y s HIS 80 Ca 0.05 -0.22 -0.03 0.00 0.25 0.00 0.00 55.06 55.11 1t0y s HIS 80 Cb -0.16 -2.25 -0.04 0.00 -1.18 0.00 0.00 32.58 28.96 1t0y s HIS 80 CO 0.04 -0.24 0.08 0.00 -0.65 0.00 0.00 174.74 173.98 1t0y s ALA 81 N 1.46 3.62 -0.03 1.58 0.00 0.72 0.33 121.76 129.42 1t0y s ALA 81 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1t0y s ALA 81 Cb -0.15 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1t0y s ALA 81 CO 0.05 0.64 -0.07 0.54 0.00 0.00 0.00 175.76 176.91 1t0y s VAL 82 N -1.05 0.70 -0.24 0.00 0.11 0.78 -1.97 120.40 118.73 1t0y s VAL 82 Ca 0.17 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.72 1t0y s VAL 82 Cb -0.12 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1t0y s VAL 82 CO 0.07 0.24 0.70 -0.62 -3.33 0.00 0.00 175.10 172.16 1t0y s ASP 83 N 0.45 6.69 -0.04 3.54 -1.08 -1.26 -0.46 116.67 124.51 1t0y s ASP 83 Ca -0.07 0.85 0.21 0.00 -0.52 0.00 0.00 52.55 53.02 1t0y s ASP 83 Cb -0.11 -2.38 -0.26 0.00 -1.46 0.00 0.00 42.92 38.71 1t0y s ASP 83 CO 0.01 -0.41 0.47 0.52 0.52 0.00 0.00 175.17 176.28 1t0y n VAL 84 N 5.14 0.53 0.15 1.11 0.31 0.58 -3.85 118.33 122.30 1t0y n VAL 84 Ca 0.02 -0.61 0.01 0.00 -0.01 0.00 0.00 64.34 63.75 1t0y n VAL 84 Cb 0.49 -0.23 0.33 0.00 -0.91 0.00 0.00 33.84 33.52 1t0y n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t0y h THR 85 N 0.00 1.26 -0.01 2.52 1.03 -1.92 -1.20 112.91 114.59 1t0y h THR 85 Ca -0.15 -1.25 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 1t0y h THR 85 Cb 1.37 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.05 1t0y h THR 85 CO 0.01 0.36 -0.18 0.61 -0.01 0.00 0.00 175.52 176.32 1t0y n GLY 86 N -0.47 -0.75 2.60 2.99 0.00 -1.26 -4.93 105.19 103.36 1t0y n GLY 86 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.31 1.91 3.68 -0.02 0.00 -0.46 -5.00 105.19 106.62 1t0y n GLY 87 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1t0y n GLY 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t0y s ASN 88 N -3.43 6.95 0.00 1.61 3.84 -1.25 -4.77 114.94 117.90 1t0y s ASN 88 Ca 0.00 1.90 0.00 0.00 0.21 0.00 0.00 52.86 54.97 1t0y s ASN 88 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1t0y s ASN 88 CO 0.00 -0.67 0.10 -1.84 -2.79 0.00 0.00 177.10 171.89 1t0y n GLU 89 N 5.58 0.00 0.00 0.43 0.28 -1.26 -4.42 120.64 121.25 1t0y n GLU 89 Ca 0.12 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1t0y n GLU 89 Cb 0.45 -0.29 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50