#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 4.73 -0.29 1.12 -1.32 -1.26 -4.90 115.64 113.72 1t0y s THR 2 Ca 0.00 0.70 0.05 0.00 -1.21 0.00 0.00 61.69 61.23 1t0y s THR 2 Cb 0.00 -4.22 0.20 0.00 -1.51 0.00 0.00 72.50 66.97 1t0y s THR 2 CO 0.00 -0.50 0.59 -1.61 -2.21 0.00 0.00 174.62 170.89 1t0y s GLU 3 N 3.09 0.56 -0.02 7.08 2.02 -1.26 -5.08 118.70 125.09 1t0y s GLU 3 Ca 0.30 0.60 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 1t0y s GLU 3 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1t0y s GLU 3 CO 0.18 -1.00 0.07 0.14 0.02 0.00 0.00 175.26 174.67 1t0y s VAL 4 N 2.83 0.02 -0.11 2.63 -7.23 -1.26 0.03 120.40 117.31 1t0y s VAL 4 Ca 0.11 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1t0y s VAL 4 Cb -0.11 -0.16 -0.01 0.00 0.56 0.00 0.00 36.38 36.66 1t0y s VAL 4 CO -0.25 -0.09 -0.18 -0.31 -0.31 0.00 0.00 175.10 173.96 1t0y s TYR 5 N -0.25 2.70 -0.23 2.82 2.02 0.15 -4.84 117.35 119.72 1t0y s TYR 5 Ca -0.03 -0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 55.65 1t0y s TYR 5 Cb -0.02 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1t0y s TYR 5 CO 0.00 -0.26 0.92 0.34 -1.57 0.00 0.00 175.55 174.99 1t0y s ASP 6 N 0.25 6.97 0.12 2.29 2.15 -1.26 -0.70 116.67 126.49 1t0y s ASP 6 Ca -0.12 1.21 0.08 0.00 0.43 0.00 0.00 52.55 54.15 1t0y s ASP 6 Cb -0.16 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1t0y s ASP 6 CO 0.06 -0.57 -0.20 -0.76 -0.17 0.00 0.00 175.17 173.54 1t0y s LEU 7 N 2.91 2.35 -0.23 -1.34 1.43 0.50 -1.83 118.68 122.46 1t0y s LEU 7 Ca 0.39 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1t0y s LEU 7 Cb -0.15 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 1t0y s LEU 7 CO 0.08 0.02 -0.01 -0.70 0.23 0.00 0.00 176.35 175.96 1t0y s GLU 8 N -2.21 3.48 -0.16 1.70 2.12 -0.86 -0.93 118.70 121.84 1t0y s GLU 8 Ca 0.09 -0.57 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 1t0y s GLU 8 Cb -0.08 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1t0y s GLU 8 CO 0.05 -0.17 0.25 0.42 -0.54 0.00 0.00 175.26 175.26 1t0y s ILE 9 N 1.47 5.33 0.14 -3.70 -1.09 0.26 0.40 121.20 124.01 1t0y s ILE 9 Ca 0.05 0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1t0y s ILE 9 Cb -0.15 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1t0y s ILE 9 CO -0.01 0.43 -0.05 0.42 -1.23 0.00 0.00 174.94 174.50 1t0y s THR 10 N 0.24 0.80 0.18 2.92 -4.23 0.75 -0.67 115.64 115.64 1t0y s THR 10 Ca 0.15 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 1t0y s THR 10 Cb -0.13 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1t0y s THR 10 CO 0.03 -0.69 0.37 -0.89 -0.54 0.00 0.00 174.62 172.90 1t0y s THR 11 N -3.57 0.05 -0.38 3.99 2.01 -1.26 -0.30 115.64 116.18 1t0y s THR 11 Ca 0.18 -1.23 0.23 0.00 0.31 0.00 0.00 61.69 61.18 1t0y s THR 11 Cb 0.05 -1.82 0.13 0.00 0.01 0.00 0.00 72.50 70.88 1t0y s THR 11 CO -0.00 -0.21 1.30 -0.55 -0.69 0.00 0.00 174.62 174.47 1t0y h ASN 12 N 2.41 0.00 0.87 3.53 -1.07 -1.75 -3.29 115.58 116.28 1t0y h ASN 12 Ca -0.30 -0.03 -0.17 0.00 0.07 0.00 0.00 56.30 55.87 1t0y h ASN 12 Cb 1.24 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.46 1t0y h ASN 12 CO 0.44 0.01 -1.22 0.00 0.07 0.00 0.00 177.43 176.73 1t0y h ALA 13 N 2.09 0.65 -2.40 4.14 0.00 -1.95 -3.47 119.26 118.33 1t0y h ALA 13 Ca 0.00 -0.84 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 1t0y h ALA 13 Cb 0.95 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1t0y h ALA 13 CO 0.00 0.96 -0.44 0.95 0.00 0.00 0.00 179.25 180.72 1t0y s THR 14 N -2.88 5.29 -0.71 0.00 -4.23 -1.24 -5.00 115.64 106.87 1t0y s THR 14 Ca -0.01 -0.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.81 1t0y s THR 14 Cb 0.08 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 1t0y s THR 14 CO 0.80 -0.21 0.53 0.47 -0.54 0.00 0.00 174.62 175.67 1t0y n ASP 15 N -0.94 0.86 -4.56 3.99 8.00 -1.26 -4.66 116.55 117.97 1t0y n ASP 15 Ca -0.08 -0.93 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 1t0y n ASP 15 Cb 0.55 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.26 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1t0y s PHE 16 N -1.62 3.21 0.02 1.24 5.36 -1.26 -5.06 117.98 119.87 1t0y s PHE 16 Ca 0.06 -0.01 -0.30 0.00 -0.96 0.00 0.00 56.93 55.72 1t0y s PHE 16 Cb 0.08 -2.39 -0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1t0y s PHE 16 CO 0.32 -0.22 1.20 -2.14 -1.46 0.00 0.00 175.22 172.91 1t0y s PRO 17 N 1.74 4.41 -0.19 10.12 0.02 -1.26 -4.82 135.00 145.01 1t0y s PRO 17 Ca 0.07 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 1t0y s PRO 17 Cb -0.16 -3.43 -0.00 0.00 0.02 0.00 0.00 34.50 30.93 1t0y s PRO 17 CO 0.10 -0.32 -0.11 1.41 -0.33 0.00 0.00 177.00 177.76 1t0y s MET 18 N 1.49 3.26 -0.15 5.54 1.75 0.16 -4.91 119.30 126.43 1t0y s MET 18 Ca 0.58 -0.70 -0.12 0.00 -1.25 0.00 0.00 55.69 54.20 1t0y s MET 18 Cb -0.28 -2.81 -0.05 0.00 2.84 0.00 0.00 34.83 34.54 1t0y s MET 18 CO 0.27 -0.13 0.24 -1.21 -0.65 0.00 0.00 175.02 173.53 1t0y s GLU 19 N 1.24 4.08 -0.02 4.11 2.02 -1.26 0.92 118.70 129.79 1t0y s GLU 19 Ca 0.03 0.00 -0.09 0.00 0.02 0.00 0.00 54.97 54.94 1t0y s GLU 19 Cb -0.14 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.73 1t0y s GLU 19 CO -0.05 0.38 0.18 0.15 0.02 0.00 0.00 175.26 175.94 1t0y s LYS 20 N 0.08 0.46 -0.26 1.61 -0.14 -0.10 -4.98 119.74 116.41 1t0y s LYS 20 Ca 0.15 -0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.50 1t0y s LYS 20 Cb -0.13 0.20 0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1t0y s LYS 20 CO 0.03 -0.11 0.00 0.21 -0.76 0.00 0.00 175.35 174.73 1t0y s LYS 21 N -1.04 3.12 0.04 1.68 2.20 -1.26 -0.37 119.74 124.11 1t0y s LYS 21 Ca -0.11 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1t0y s LYS 21 Cb -0.06 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1t0y s LYS 21 CO 0.02 -0.35 -0.21 0.71 -0.36 0.00 0.00 175.35 175.16 1t0y s TYR 22 N 1.45 1.83 0.47 4.03 2.02 0.12 -4.88 117.35 122.39 1t0y s TYR 22 Ca 0.03 -0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.12 1t0y s TYR 22 Cb -0.16 -1.10 -0.08 0.00 -0.40 0.00 0.00 41.96 40.21 1t0y s TYR 22 CO -0.01 0.08 1.23 -2.30 -1.57 0.00 0.00 175.55 172.98 1t0y n PRO 23 N 1.91 1.71 -0.07 -1.71 -0.02 -1.26 0.31 135.00 135.87 1t0y n PRO 23 Ca -0.17 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1t0y n PRO 23 Cb 0.53 -2.36 0.45 0.00 -0.02 0.00 0.00 33.50 32.10 1t0y n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t0y h ALA 24 N 1.72 1.87 -0.45 3.55 0.00 -0.72 -1.19 119.26 124.04 1t0y h ALA 24 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t0y h ALA 24 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t0y h ALA 24 CO 0.58 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1t0y n GLY 25 N -1.49 1.17 3.83 0.00 0.00 -1.26 -1.81 105.19 105.62 1t0y n GLY 25 Ca 0.08 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.41 3.44 0.20 1.61 0.00 -0.45 -4.82 119.30 117.87 1t0y s MET 26 Ca 0.32 0.97 -0.13 0.00 0.00 0.00 0.00 55.69 56.85 1t0y s MET 26 Cb 0.17 -2.06 -0.07 0.00 0.00 0.00 0.00 34.83 32.87 1t0y s MET 26 CO 0.22 -0.70 0.58 -1.54 0.00 0.00 0.00 175.02 173.58 1t0y s SER 27 N -3.46 6.76 0.32 1.11 1.04 -1.26 -1.87 113.70 116.34 1t0y s SER 27 Ca 0.59 1.06 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1t0y s SER 27 Cb -0.13 -2.28 0.51 0.00 0.10 0.00 0.00 66.02 64.22 1t0y s SER 27 CO 0.44 0.00 1.68 0.25 0.98 0.00 0.00 173.24 176.60 1t0y h LEU 28 N 3.06 0.00 -1.41 2.42 7.12 -1.69 -3.02 115.31 121.79 1t0y h LEU 28 Ca -0.48 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.49 1t0y h LEU 28 Cb 1.18 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 1t0y h LEU 28 CO 0.67 0.51 -0.04 0.78 -0.13 0.00 0.00 178.44 180.23 1t0y h ASN 29 N 0.00 0.31 -0.26 1.25 2.35 -1.81 0.21 115.58 117.63 1t0y h ASN 29 Ca -0.01 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 1t0y h ASN 29 Cb 0.97 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1t0y h ASN 29 CO 0.07 0.40 -0.42 -0.78 -1.65 0.00 0.00 177.43 175.05 1t0y h ASP 30 N 0.32 0.82 -0.52 5.81 3.58 -1.87 0.11 116.42 124.67 1t0y h ASP 30 Ca 0.07 -0.52 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 1t0y h ASP 30 Cb 0.29 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1t0y h ASP 30 CO 0.01 1.18 0.20 0.25 -2.88 0.00 0.00 179.24 178.00 1t0y h LEU 31 N 0.49 0.73 0.02 2.28 7.12 -1.40 -0.24 115.31 124.30 1t0y h LEU 31 Ca 0.02 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.88 1t0y h LEU 31 Cb 1.01 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 1t0y h LEU 31 CO 0.10 0.71 -0.21 0.11 -0.13 0.00 0.00 178.44 179.01 1t0y h LYS 32 N 0.70 -0.34 -0.44 1.25 1.79 -0.47 0.13 116.57 119.19 1t0y h LYS 32 Ca 0.17 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1t0y h LYS 32 Cb 0.22 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1t0y h LYS 32 CO -0.01 -0.22 0.25 -0.22 -1.08 0.00 0.00 179.45 178.16 1t0y h LYS 33 N -0.35 0.60 -0.14 3.15 1.63 -0.26 0.73 116.57 121.93 1t0y h LYS 33 Ca 0.05 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1t0y h LYS 33 Cb 0.41 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1t0y h LYS 33 CO -0.18 0.44 -0.51 0.87 -3.45 0.00 0.00 179.45 176.62 1t0y h LYS 34 N 0.61 0.39 -0.17 1.90 6.56 -0.69 -0.15 116.57 125.02 1t0y h LYS 34 Ca 0.16 -0.23 -0.07 0.00 -1.06 0.00 0.00 60.65 59.45 1t0y h LYS 34 Cb 0.01 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1t0y h LYS 34 CO -0.03 0.81 -0.18 -0.07 -2.06 0.00 0.00 179.45 177.93 1t0y h LEU 35 N 0.31 0.45 -1.80 2.94 3.38 0.19 -2.96 115.31 117.82 1t0y h LEU 35 Ca 0.01 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1t0y h LEU 35 Cb 1.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1t0y h LEU 35 CO 0.09 0.84 0.18 -0.33 0.09 0.00 0.00 178.44 179.30 1t0y h GLU 36 N 0.06 0.26 -0.37 1.13 4.39 0.47 0.27 114.58 120.80 1t0y h GLU 36 Ca 0.03 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1t0y h GLU 36 Cb 0.72 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1t0y h GLU 36 CO 0.04 0.17 -0.17 1.25 -1.16 0.00 0.00 179.01 179.14 1t0y h LEU 37 N 0.27 0.69 0.18 1.33 5.85 -0.94 0.31 115.31 123.00 1t0y h LEU 37 Ca 0.11 -0.22 -0.30 0.00 0.84 0.00 0.00 57.88 58.30 1t0y h LEU 37 Cb 0.09 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 40.95 1t0y h LEU 37 CO -0.02 0.87 -1.44 0.58 -0.34 0.00 0.00 178.44 178.09 1t0y h VAL 38 N 0.62 1.15 0.00 1.05 2.07 -0.80 -3.35 116.25 116.98 1t0y h VAL 38 Ca 0.10 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.02 1t0y h VAL 38 Cb 0.64 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1t0y h VAL 38 CO 0.05 0.78 -0.75 0.58 0.02 0.00 0.00 177.57 178.25 1t0y h VAL 39 N -0.07 0.32 -0.09 2.57 2.07 -0.61 -3.47 116.25 116.97 1t0y h VAL 39 Ca -0.28 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1t0y h VAL 39 Cb 1.96 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1t0y h VAL 39 CO 0.17 0.18 -0.04 0.61 0.02 0.00 0.00 177.57 178.52 1t0y n GLY 40 N 1.22 0.54 3.50 2.17 0.00 0.11 -5.02 105.19 107.71 1t0y n GLY 40 Ca -0.01 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1t0y n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t0y n THR 41 N -2.94 0.00 -4.35 2.61 -2.24 -1.08 -5.02 114.28 101.27 1t0y n THR 41 Ca -0.02 -1.48 -0.24 0.00 -2.27 0.00 0.00 64.05 60.04 1t0y n THR 41 Cb 0.07 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 67.34 1t0y n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t0y s THR 42 N -2.66 2.94 0.18 4.28 -4.23 -1.26 -4.74 115.64 110.14 1t0y s THR 42 Ca 0.59 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 1t0y s THR 42 Cb -0.04 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.18 1t0y s THR 42 CO 0.39 -0.33 1.81 -0.37 -0.54 0.00 0.00 174.62 175.58 1t0y h VAL 43 N 1.96 1.05 0.00 2.29 -1.51 -1.96 -0.86 116.25 117.22 1t0y h VAL 43 Ca -0.43 -0.21 -0.05 0.00 -1.23 0.00 0.00 66.70 64.78 1t0y h VAL 43 Cb 1.25 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1t0y h VAL 43 CO 0.62 0.11 -0.24 -0.78 -1.23 0.00 0.00 177.57 176.05 1t0y h ASP 44 N 0.61 0.00 1.14 4.19 3.58 -2.00 -2.86 116.42 121.08 1t0y h ASP 44 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1t0y h ASP 44 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1t0y h ASP 44 CO -0.09 0.24 -0.36 -1.28 -2.88 0.00 0.00 179.24 174.87 1t0y h SER 45 N 0.00 0.00 -3.64 2.28 0.87 -1.60 -3.43 113.55 108.04 1t0y h SER 45 Ca -0.00 -0.12 -0.68 0.00 -1.23 0.00 0.00 61.79 59.75 1t0y h SER 45 Cb 0.56 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.23 1t0y h SER 45 CO 0.03 0.06 -0.64 -0.32 -0.53 0.00 0.00 176.83 175.43 1t0y s MET 46 N -3.14 2.80 -0.10 2.24 -2.45 -0.73 0.23 119.30 118.14 1t0y s MET 46 Ca 0.08 -1.05 -0.11 0.00 -1.25 0.00 0.00 55.69 53.36 1t0y s MET 46 Cb 0.13 -3.34 -0.05 0.00 1.25 0.00 0.00 34.83 32.82 1t0y s MET 46 CO 0.67 -0.55 0.26 0.50 1.05 0.00 0.00 175.02 176.95 1t0y s ARG 47 N 1.41 3.86 -0.19 4.11 3.52 0.80 -4.89 118.95 127.56 1t0y s ARG 47 Ca -0.00 0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.64 1t0y s ARG 47 Cb -0.18 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1t0y s ARG 47 CO 0.01 0.57 -0.05 0.42 -0.81 0.00 0.00 175.30 175.45 1t0y s ILE 48 N -0.52 3.53 -0.08 4.11 -1.09 -1.26 -0.47 121.20 125.42 1t0y s ILE 48 Ca 0.17 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1t0y s ILE 48 Cb -0.13 -2.58 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 1t0y s ILE 48 CO 0.06 0.45 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.55 1t0y s GLN 49 N 1.04 2.86 -0.24 2.79 2.00 0.18 -0.81 119.66 127.48 1t0y s GLN 49 Ca 0.01 -0.59 -0.04 0.00 -2.00 0.00 0.00 55.36 52.74 1t0y s GLN 49 Cb -0.15 -2.59 0.00 0.00 0.80 0.00 0.00 33.01 31.08 1t0y s GLN 49 CO 0.00 0.56 -0.02 -1.17 -0.50 0.00 0.00 175.29 174.16 1t0y s LEU 50 N -0.55 3.11 -0.14 3.68 2.96 -0.28 -0.47 118.68 126.99 1t0y s LEU 50 Ca 0.08 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1t0y s LEU 50 Cb -0.12 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1t0y s LEU 50 CO 0.02 -0.07 0.09 -0.36 -1.32 0.00 0.00 176.35 174.71 1t0y s PHE 51 N 1.46 3.38 -0.00 5.38 0.08 -1.00 -1.30 117.98 125.98 1t0y s PHE 51 Ca 0.04 0.30 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 1t0y s PHE 51 Cb -0.15 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1t0y s PHE 51 CO -0.02 0.45 0.60 0.22 -0.10 0.00 0.00 175.22 176.37 1t0y h ASP 52 N 5.73 -0.07 0.00 1.36 1.82 -1.02 -2.89 116.42 121.35 1t0y h ASP 52 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1t0y h ASP 52 Cb 1.19 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1t0y h ASP 52 CO 0.63 -0.03 0.00 0.61 -1.61 0.00 0.00 179.24 178.84 1t0y n GLY 53 N 0.25 0.60 0.10 -0.78 0.00 -1.26 -4.10 105.19 100.00 1t0y n GLY 53 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1t0y n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t0y n ASP 54 N 0.00 0.99 0.00 1.61 5.75 -1.26 -4.77 116.55 118.87 1t0y n ASP 54 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1t0y n ASP 54 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1t0y n ASP 55 N -3.07 0.00 -4.64 -1.12 2.03 -1.26 -5.11 116.55 103.37 1t0y n ASP 55 Ca -0.25 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.54 1t0y n ASP 55 Cb 1.07 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.41 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y n GLN 56 N -0.79 1.49 -2.90 -0.67 0.00 -1.26 -4.70 117.38 108.55 1t0y n GLN 56 Ca 0.00 0.54 -0.37 0.00 0.00 0.00 0.00 57.00 57.17 1t0y n GLN 56 Cb 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 30.24 27.93 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1t0y s LEU 57 N 1.62 4.40 -0.20 2.61 2.96 -1.26 -0.43 118.68 128.39 1t0y s LEU 57 Ca 0.87 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 56.50 1t0y s LEU 57 Cb -0.89 -3.76 -0.13 0.00 0.50 0.00 0.00 46.19 41.91 1t0y s LEU 57 CO 0.49 0.02 -0.16 0.29 -1.32 0.00 0.00 176.35 175.67 1t0y n LYS 58 N 0.83 0.56 -3.00 1.98 4.76 -0.42 -4.79 118.16 118.08 1t0y n LYS 58 Ca -0.01 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1t0y n LYS 58 Cb 0.50 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 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 2.51 -0.21 3.52 0.72 0.00 -1.23 -5.03 105.19 105.47 1t0y n GLY 59 Ca -0.35 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.00 3.47 0.00 1.61 2.12 -1.26 -1.12 118.70 121.52 1t0y s GLU 60 Ca 0.00 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1t0y s GLU 60 Cb 0.00 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1t0y s GLU 60 CO 0.00 0.34 0.00 1.28 -0.54 0.00 0.00 175.26 176.34 1t0y n LEU 61 N 3.23 0.00 0.00 2.70 4.77 0.01 -4.83 117.00 122.88 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 0.32 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.79 1t0y n THR 62 N 0.00 0.00 -3.87 -5.08 -1.04 -1.26 -4.94 114.28 98.08 1t0y n THR 62 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1t0y n THR 62 Cb 0.00 -0.01 -0.14 0.00 -1.82 0.00 0.00 70.33 68.36 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 -3.47 4.49 0.00 8.00 1.01 -1.26 -4.94 116.67 120.50 1t0y s ASP 63 Ca 0.00 -0.41 0.07 0.00 0.71 0.00 0.00 52.55 52.93 1t0y s ASP 63 Cb 0.00 -1.77 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1t0y s ASP 63 CO 0.00 -0.04 0.67 0.61 0.21 0.00 0.00 175.17 176.62 1t0y n GLY 64 N 4.82 -0.56 0.00 0.21 0.00 -1.26 -4.36 105.19 104.04 1t0y n GLY 64 Ca -0.18 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 0.18 1.96 -2.43 4.61 0.00 -1.26 -3.96 120.51 119.61 1t0y n ALA 65 Ca 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1t0y n ALA 65 Cb 0.17 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.20 1t0y n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1t0y s LYS 66 N -2.76 1.26 0.79 0.00 -2.85 -1.26 -5.10 119.74 109.81 1t0y s LYS 66 Ca 0.14 -1.44 -0.12 0.00 -1.00 0.00 0.00 55.97 53.56 1t0y s LYS 66 Cb 0.13 -1.21 0.06 0.00 -2.06 0.00 0.00 37.83 34.75 1t0y s LYS 66 CO 0.32 0.23 1.13 -1.12 0.10 0.00 0.00 175.35 176.01 1t0y s SER 67 N -2.84 4.69 0.40 0.03 0.01 -1.26 -3.92 113.70 110.80 1t0y s SER 67 Ca 0.17 1.04 0.07 0.00 1.31 0.00 0.00 55.95 58.54 1t0y s SER 67 Cb -0.04 -1.71 0.83 0.00 0.21 0.00 0.00 66.02 65.32 1t0y s SER 67 CO 0.06 -1.82 2.03 -0.07 0.41 0.00 0.00 173.24 173.85 1t0y h LEU 68 N -0.99 0.52 -0.17 2.44 3.38 -1.16 -0.14 115.31 119.19 1t0y h LEU 68 Ca -0.46 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1t0y h LEU 68 Cb 1.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1t0y h LEU 68 CO 0.63 0.36 -0.41 0.50 0.09 0.00 0.00 178.44 179.61 1t0y h LYS 69 N 0.61 0.58 0.00 1.13 3.64 -1.48 0.11 116.57 121.15 1t0y h LYS 69 Ca 0.21 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1t0y h LYS 69 Cb 0.07 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1t0y h LYS 69 CO -0.05 1.01 -0.28 0.22 -2.27 0.00 0.00 179.45 178.08 1t0y h ASP 70 N 0.23 0.00 1.05 4.20 3.58 -1.68 -1.78 116.42 122.02 1t0y h ASP 70 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t0y h ASP 70 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1t0y h ASP 70 CO 0.09 0.28 0.00 0.18 -2.88 0.00 0.00 179.24 176.91 1t0y n LEU 71 N -3.57 0.68 0.00 2.28 4.77 -0.12 -4.89 117.00 116.16 1t0y n LEU 71 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1t0y n LEU 71 Cb 0.42 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1t0y n LEU 71 CO 0.35 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1t0y n GLY 72 N 0.61 0.77 3.64 -0.72 0.00 -0.67 -5.02 105.19 103.79 1t0y n GLY 72 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 4.52 0.24 1.61 1.01 0.34 -5.00 120.40 120.86 1t0y s VAL 73 Ca 0.00 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.67 1t0y s VAL 73 Cb 0.00 -4.40 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 1t0y s VAL 73 CO 0.00 -0.48 0.02 0.54 0.00 0.00 0.00 175.10 175.18 1t0y n ARG 74 N 6.85 1.21 -2.59 2.72 1.74 -1.26 -3.94 116.66 121.39 1t0y n ARG 74 Ca 0.11 -1.79 -0.37 0.00 -0.77 0.00 0.00 57.85 55.03 1t0y n ARG 74 Cb 0.47 0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 32.48 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 -2.34 7.00 0.00 0.55 1.47 -1.26 -3.17 116.67 118.91 1t0y s ASP 75 Ca 0.03 2.03 0.00 0.00 1.18 0.00 0.00 52.55 55.79 1t0y s ASP 75 Cb 0.00 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.99 1t0y s ASP 75 CO 0.02 -0.32 0.00 0.61 0.68 0.00 0.00 175.17 176.16 1t0y n GLY 76 N 0.56 0.75 3.86 2.12 0.00 -0.76 -4.93 105.19 106.79 1t0y n GLY 76 Ca 0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.25 -0.06 1.61 1.51 -1.19 -4.61 117.35 115.86 1t0y s TYR 77 Ca 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.09 1t0y s TYR 77 Cb 0.00 -1.52 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1t0y s TYR 77 CO 0.00 0.51 -0.21 -0.98 -1.11 0.00 0.00 175.55 173.76 1t0y s ARG 78 N -3.47 2.30 -0.19 -0.62 1.70 -1.09 -2.03 118.95 115.55 1t0y s ARG 78 Ca 0.33 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 54.74 1t0y s ARG 78 Cb -0.09 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.33 1t0y s ARG 78 CO 0.26 0.26 0.11 0.42 -1.08 0.00 0.00 175.30 175.27 1t0y s ILE 79 N 0.08 5.23 -0.19 4.99 -1.09 0.16 -2.36 121.20 128.03 1t0y s ILE 79 Ca -0.08 0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1t0y s ILE 79 Cb -0.14 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1t0y s ILE 79 CO 0.04 0.46 -0.16 -2.28 -1.23 0.00 0.00 174.94 171.77 1t0y s HIS 80 N 0.29 2.83 -0.06 3.97 5.65 0.38 -0.17 115.29 128.16 1t0y s HIS 80 Ca 0.07 -1.46 -0.08 0.00 0.25 0.00 0.00 55.06 53.84 1t0y s HIS 80 Cb -0.11 -1.97 -0.05 0.00 -1.18 0.00 0.00 32.58 29.27 1t0y s HIS 80 CO -0.01 -0.74 0.23 0.00 -0.65 0.00 0.00 174.74 173.57 1t0y s ALA 81 N 1.33 3.83 -0.06 1.58 0.00 0.59 0.49 121.76 129.53 1t0y s ALA 81 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1t0y s ALA 81 Cb -0.13 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.94 1t0y s ALA 81 CO -0.10 0.60 0.14 0.54 0.00 0.00 0.00 175.76 176.94 1t0y s VAL 82 N -1.11 -0.04 0.17 0.00 0.11 0.38 -1.89 120.40 118.03 1t0y s VAL 82 Ca 0.20 0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 59.14 1t0y s VAL 82 Cb -0.13 -0.23 -0.08 0.00 -1.53 0.00 0.00 36.38 34.41 1t0y s VAL 82 CO 0.09 0.05 0.77 1.51 -3.33 0.00 0.00 175.10 174.20 1t0y s ASP 83 N 0.88 7.35 -0.01 3.54 -4.77 -1.26 -0.14 116.67 122.26 1t0y s ASP 83 Ca -0.07 1.62 0.20 0.00 -3.30 0.00 0.00 52.55 51.01 1t0y s ASP 83 Cb -0.09 -2.49 -0.23 0.00 -1.09 0.00 0.00 42.92 39.02 1t0y s ASP 83 CO -0.04 0.19 0.55 0.52 0.70 0.00 0.00 175.17 177.08 1t0y n VAL 84 N 1.48 0.57 0.10 2.11 0.31 0.14 -3.34 118.33 119.69 1t0y n VAL 84 Ca -0.05 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1t0y n VAL 84 Cb 0.49 -0.27 0.31 0.00 -0.91 0.00 0.00 33.84 33.46 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 1.24 -0.02 2.52 1.03 -1.93 -1.56 112.91 114.19 1t0y h THR 85 Ca -0.14 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 1t0y h THR 85 Cb 1.34 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 1t0y h THR 85 CO 0.01 0.34 -0.20 0.61 -0.01 0.00 0.00 175.52 176.28 1t0y n GLY 86 N -0.56 0.10 3.83 2.99 0.00 -1.26 -4.97 105.19 105.31 1t0y n GLY 86 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 1.08 -0.51 3.65 -0.02 0.00 -0.59 -4.92 105.19 103.89 1t0y n GLY 87 Ca 0.08 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.27 6.78 0.00 1.61 0.01 -1.21 -4.68 114.94 114.18 1t0y s ASN 88 Ca 0.64 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 1t0y s ASN 88 Cb -0.32 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1t0y s ASN 88 CO 0.80 -0.41 0.46 -1.84 -1.51 0.00 0.00 177.10 174.60 1t0y n GLU 89 N 5.55 0.00 0.00 -0.60 -0.00 -1.26 -4.48 120.64 119.85 1t0y n GLU 89 Ca 0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 1t0y n GLU 89 Cb 0.49 0.06 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66