#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 5.21 -0.03 1.12 -1.32 -1.26 -4.83 115.64 114.54 1t0y s THR 2 Ca 0.00 0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.57 1t0y s THR 2 Cb 0.00 -3.74 0.02 0.00 -1.51 0.00 0.00 72.50 67.27 1t0y s THR 2 CO 0.00 0.01 -0.03 -0.70 -2.21 0.00 0.00 174.62 171.69 1t0y s GLU 3 N 1.93 0.52 -0.00 7.08 2.12 -1.26 -5.07 118.70 124.01 1t0y s GLU 3 Ca 0.10 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1t0y s GLU 3 Cb -0.17 -0.58 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 1t0y s GLU 3 CO 0.11 -0.05 -0.10 0.14 -0.54 0.00 0.00 175.26 174.82 1t0y s VAL 4 N 0.69 0.75 -0.01 3.70 -7.23 -1.26 0.69 120.40 117.73 1t0y s VAL 4 Ca -0.08 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 1t0y s VAL 4 Cb -0.11 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1t0y s VAL 4 CO -0.01 0.19 -0.19 -0.72 -0.31 0.00 0.00 175.10 174.06 1t0y s TYR 5 N -0.27 1.69 -0.02 2.82 1.13 0.13 -4.85 117.35 117.98 1t0y s TYR 5 Ca 0.03 -0.32 -0.21 0.00 -1.41 0.00 0.00 57.07 55.17 1t0y s TYR 5 Cb -0.04 -1.08 -0.05 0.00 -1.10 0.00 0.00 41.96 39.69 1t0y s TYR 5 CO -0.00 -0.02 0.60 -0.51 -2.51 0.00 0.00 175.55 173.10 1t0y s ASP 6 N -0.47 6.96 0.23 -0.18 1.01 -1.26 -0.65 116.67 122.30 1t0y s ASP 6 Ca 0.07 1.14 0.11 0.00 0.71 0.00 0.00 52.55 54.58 1t0y s ASP 6 Cb -0.07 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1t0y s ASP 6 CO -0.01 0.07 -0.19 -0.76 0.21 0.00 0.00 175.17 174.49 1t0y s LEU 7 N -0.02 2.61 -0.30 1.23 1.43 0.19 0.24 118.68 124.05 1t0y s LEU 7 Ca 0.31 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1t0y s LEU 7 Cb -0.18 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1t0y s LEU 7 CO 0.17 0.08 0.08 -0.70 0.23 0.00 0.00 176.35 176.21 1t0y s GLU 8 N -3.08 3.03 -0.21 1.70 2.12 -0.53 -0.07 118.70 121.67 1t0y s GLU 8 Ca 0.25 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.58 1t0y s GLU 8 Cb -0.07 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1t0y s GLU 8 CO 0.13 -0.47 0.18 0.42 -0.54 0.00 0.00 175.26 174.99 1t0y s ILE 9 N 1.49 5.36 0.23 -3.70 -1.09 0.13 -0.28 121.20 123.34 1t0y s ILE 9 Ca 0.02 0.28 0.10 0.00 -2.23 0.00 0.00 60.65 58.82 1t0y s ILE 9 Cb -0.17 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1t0y s ILE 9 CO 0.02 0.38 -0.18 0.28 -1.23 0.00 0.00 174.94 174.22 1t0y s THR 10 N 0.70 2.11 0.24 2.92 -1.32 0.70 -1.06 115.64 119.93 1t0y s THR 10 Ca 0.10 -2.26 -0.15 0.00 -1.21 0.00 0.00 61.69 58.16 1t0y s THR 10 Cb -0.12 -2.14 0.01 0.00 -1.51 0.00 0.00 72.50 68.73 1t0y s THR 10 CO 0.02 -0.46 0.53 -0.89 -2.21 0.00 0.00 174.62 171.61 1t0y s THR 11 N -2.61 0.01 -0.29 5.08 2.01 -1.22 0.27 115.64 118.89 1t0y s THR 11 Ca 0.25 -1.20 0.22 0.00 0.31 0.00 0.00 61.69 61.27 1t0y s THR 11 Cb -0.03 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.56 1t0y s THR 11 CO 0.11 -0.04 1.24 -0.55 -0.69 0.00 0.00 174.62 174.69 1t0y h ASN 12 N 2.20 0.00 0.43 3.53 -1.07 -1.78 -3.31 115.58 115.57 1t0y h ASN 12 Ca -0.25 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 55.84 1t0y h ASN 12 Cb 1.25 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.51 1t0y h ASN 12 CO 0.34 0.07 -1.21 0.00 0.07 0.00 0.00 177.43 176.69 1t0y h ALA 13 N 1.93 0.10 -3.24 4.14 0.00 -1.87 -3.44 119.26 116.88 1t0y h ALA 13 Ca -0.01 -0.82 -0.66 0.00 0.00 0.00 0.00 54.91 53.41 1t0y h ALA 13 Cb 1.06 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 1t0y h ALA 13 CO 0.01 0.85 -0.80 0.95 0.00 0.00 0.00 179.25 180.25 1t0y s THR 14 N -2.84 2.69 -0.01 0.00 -4.23 -1.25 -4.99 115.64 105.02 1t0y s THR 14 Ca -0.06 -0.77 0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1t0y s THR 14 Cb 0.07 -2.12 -0.10 0.00 1.34 0.00 0.00 72.50 71.69 1t0y s THR 14 CO 0.90 0.52 1.30 -0.78 -0.54 0.00 0.00 174.62 176.02 1t0y h ASP 15 N 7.07 0.00 -3.57 3.99 3.58 -1.85 -3.22 116.42 122.42 1t0y h ASP 15 Ca -0.29 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.53 1t0y h ASP 15 Cb 1.20 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.12 1t0y h ASP 15 CO 0.55 0.79 0.07 -0.36 -2.88 0.00 0.00 179.24 177.41 1t0y s PHE 16 N -2.81 3.18 0.44 0.28 0.08 -1.26 -4.94 117.98 112.95 1t0y s PHE 16 Ca 0.02 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.22 1t0y s PHE 16 Cb 0.09 -3.00 -0.08 0.00 -0.57 0.00 0.00 43.02 39.46 1t0y s PHE 16 CO 0.79 -0.53 1.15 -2.14 -0.10 0.00 0.00 175.22 174.39 1t0y s PRO 17 N 2.56 3.88 -0.00 0.24 0.02 -1.26 -4.89 135.00 135.54 1t0y s PRO 17 Ca 0.23 1.74 0.05 0.00 0.02 0.00 0.00 61.00 63.04 1t0y s PRO 17 Cb -0.15 -2.48 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 1t0y s PRO 17 CO 0.13 -0.44 -0.17 -1.64 -0.33 0.00 0.00 177.00 174.55 1t0y s MET 18 N -2.59 1.35 -0.07 5.54 -1.94 -0.22 -4.87 119.30 116.50 1t0y s MET 18 Ca 0.61 -0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 53.66 1t0y s MET 18 Cb -0.28 -1.33 -0.03 0.00 2.01 0.00 0.00 34.83 35.20 1t0y s MET 18 CO 0.34 0.36 0.86 -1.21 -0.01 0.00 0.00 175.02 175.36 1t0y s GLU 19 N -0.56 4.45 0.07 2.03 8.01 -1.26 0.22 118.70 131.66 1t0y s GLU 19 Ca 0.06 1.15 0.03 0.00 0.01 0.00 0.00 54.97 56.22 1t0y s GLU 19 Cb -0.07 -3.49 -0.03 0.00 -4.31 0.00 0.00 34.13 26.24 1t0y s GLU 19 CO -0.00 -0.09 -0.09 0.15 0.01 0.00 0.00 175.26 175.24 1t0y s LYS 20 N 1.25 0.69 -0.20 1.61 1.02 0.90 -4.95 119.74 120.06 1t0y s LYS 20 Ca 0.44 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 1t0y s LYS 20 Cb -0.19 -0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1t0y s LYS 20 CO 0.21 0.07 0.13 0.21 -0.92 0.00 0.00 175.35 175.04 1t0y s LYS 21 N -2.22 4.17 0.04 1.68 2.47 -1.26 0.53 119.74 125.14 1t0y s LYS 21 Ca -0.02 -0.22 0.03 0.00 -1.56 0.00 0.00 55.97 54.20 1t0y s LYS 21 Cb -0.06 -3.41 -0.02 0.00 -1.46 0.00 0.00 37.83 32.88 1t0y s LYS 21 CO -0.00 0.31 -0.10 0.71 0.16 0.00 0.00 175.35 176.43 1t0y s TYR 22 N 0.32 0.85 0.08 4.03 2.02 0.18 -4.98 117.35 119.85 1t0y s TYR 22 Ca 0.08 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 1t0y s TYR 22 Cb -0.11 -0.50 -0.06 0.00 -0.40 0.00 0.00 41.96 40.89 1t0y s TYR 22 CO -0.02 -0.02 1.12 -2.14 -1.57 0.00 0.00 175.55 172.92 1t0y s PRO 23 N -1.29 4.51 0.39 -1.71 0.02 -1.26 0.18 135.00 135.83 1t0y s PRO 23 Ca -0.04 1.68 0.15 0.00 0.02 0.00 0.00 61.00 62.81 1t0y s PRO 23 Cb -0.08 -3.35 0.79 0.00 0.02 0.00 0.00 34.50 31.88 1t0y s PRO 23 CO 0.01 -0.11 1.83 0.00 -0.33 0.00 0.00 177.00 178.40 1t0y h ALA 24 N 6.28 1.29 -0.00 -1.55 0.00 -0.07 -2.45 119.26 122.75 1t0y h ALA 24 Ca -0.42 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1t0y h ALA 24 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1t0y h ALA 24 CO 0.77 0.44 -0.07 0.41 0.00 0.00 0.00 179.25 180.81 1t0y n GLY 25 N -0.35 -0.85 3.90 0.00 0.00 -1.26 -0.28 105.19 106.35 1t0y n GLY 25 Ca -0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.32 2.42 0.23 1.61 0.00 -0.93 -4.73 119.30 115.59 1t0y s MET 26 Ca 0.34 0.16 -0.06 0.00 0.00 0.00 0.00 55.69 56.13 1t0y s MET 26 Cb 0.21 -2.05 -0.06 0.00 0.00 0.00 0.00 34.83 32.93 1t0y s MET 26 CO 0.43 -1.24 0.50 -1.54 0.00 0.00 0.00 175.02 173.17 1t0y s SER 27 N -4.46 6.50 0.43 1.11 1.04 -1.26 -0.92 113.70 116.14 1t0y s SER 27 Ca 0.59 0.72 0.17 0.00 0.48 0.00 0.00 55.95 57.91 1t0y s SER 27 Cb -0.11 -2.14 0.95 0.00 0.10 0.00 0.00 66.02 64.82 1t0y s SER 27 CO 0.49 -0.09 1.92 0.25 0.98 0.00 0.00 173.24 176.79 1t0y h LEU 28 N 2.23 0.00 -0.42 2.42 7.12 -1.72 -2.71 115.31 122.23 1t0y h LEU 28 Ca -0.47 0.00 0.06 0.00 0.13 0.00 0.00 57.88 57.60 1t0y h LEU 28 Cb 1.18 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.25 1t0y h LEU 28 CO 0.69 0.27 0.11 0.78 -0.13 0.00 0.00 178.44 180.15 1t0y h ASN 29 N 0.00 0.06 -0.40 1.25 -0.26 -1.84 0.36 115.58 114.74 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 0.52 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1t0y h ASN 29 CO 0.03 0.07 -0.22 -0.78 -1.06 0.00 0.00 177.43 175.48 1t0y h ASP 30 N 0.25 0.89 -0.55 5.81 1.82 -1.83 -0.67 116.42 122.14 1t0y h ASP 30 Ca 0.20 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1t0y h ASP 30 Cb 0.23 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 1t0y h ASP 30 CO -0.25 1.11 0.29 0.25 -1.61 0.00 0.00 179.24 179.03 1t0y h LEU 31 N 0.67 0.69 0.07 2.28 6.46 -1.14 -0.04 115.31 124.30 1t0y h LEU 31 Ca 0.09 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1t0y h LEU 31 Cb 0.78 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1t0y h LEU 31 CO 0.06 0.59 -0.15 0.11 -0.62 0.00 0.00 178.44 178.43 1t0y h LYS 32 N 0.74 -0.28 -0.13 1.25 1.79 -0.12 0.87 116.57 120.68 1t0y h LYS 32 Ca 0.19 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1t0y h LYS 32 Cb 0.06 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1t0y h LYS 32 CO -0.03 -0.19 -0.01 -0.22 -1.08 0.00 0.00 179.45 177.92 1t0y h LYS 33 N -0.29 0.19 -0.07 3.15 3.64 -0.63 0.61 116.57 123.16 1t0y h LYS 33 Ca 0.03 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1t0y h LYS 33 Cb 0.32 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1t0y h LYS 33 CO -0.10 0.22 -0.67 0.87 -2.27 0.00 0.00 179.45 177.50 1t0y h LYS 34 N 0.19 0.32 -0.15 1.90 6.56 -0.58 -1.91 116.57 122.90 1t0y h LYS 34 Ca 0.05 -0.25 -0.17 0.00 -1.06 0.00 0.00 60.65 59.22 1t0y h LYS 34 Cb 0.16 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1t0y h LYS 34 CO 0.00 0.88 -0.60 -0.07 -2.06 0.00 0.00 179.45 177.60 1t0y h LEU 35 N 0.23 0.58 -1.60 2.94 3.38 0.11 -2.96 115.31 117.99 1t0y h LEU 35 Ca -0.02 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1t0y h LEU 35 Cb 1.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1t0y h LEU 35 CO 0.11 1.04 -0.08 -0.33 0.09 0.00 0.00 178.44 179.27 1t0y h GLU 36 N 0.38 0.15 0.00 1.13 4.39 0.30 0.34 114.58 121.27 1t0y h GLU 36 Ca -0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1t0y h GLU 36 Cb 1.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1t0y h GLU 36 CO 0.11 0.25 -0.41 1.25 -1.16 0.00 0.00 179.01 179.05 1t0y h LEU 37 N 0.15 0.00 0.17 1.33 5.85 -1.18 0.53 115.31 122.16 1t0y h LEU 37 Ca 0.03 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.43 1t0y h LEU 37 Cb 0.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1t0y h LEU 37 CO 0.01 0.41 -1.57 0.58 -0.34 0.00 0.00 178.44 177.53 1t0y h VAL 38 N 0.00 1.03 0.00 1.05 2.07 -0.92 -3.37 116.25 116.11 1t0y h VAL 38 Ca -0.00 -2.49 -0.20 0.00 0.82 0.00 0.00 66.70 64.83 1t0y h VAL 38 Cb 0.76 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.30 1t0y h VAL 38 CO 0.05 0.80 -1.18 0.58 0.02 0.00 0.00 177.57 177.85 1t0y h VAL 39 N -0.04 1.00 -0.22 2.57 2.07 -0.41 -3.48 116.25 117.73 1t0y h VAL 39 Ca -0.31 -2.61 -0.10 0.00 0.82 0.00 0.00 66.70 64.50 1t0y h VAL 39 Cb 1.98 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 34.15 1t0y h VAL 39 CO 0.15 0.57 -0.09 0.61 0.02 0.00 0.00 177.57 178.83 1t0y n GLY 40 N 1.39 0.74 0.00 2.17 0.00 0.19 -5.01 105.19 104.65 1t0y n GLY 40 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1t0y n GLY 40 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1t0y n THR 41 N -2.81 0.00 -4.41 2.61 5.66 -1.23 -5.04 114.28 109.06 1t0y n THR 41 Ca -0.05 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.69 1t0y n THR 41 Cb 0.18 -0.88 -0.12 0.00 -1.55 0.00 0.00 70.33 67.96 1t0y n THR 41 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1t0y s THR 42 N 1.62 2.28 0.21 1.09 2.01 -1.26 -4.89 115.64 116.70 1t0y s THR 42 Ca 0.00 -2.01 -0.10 0.00 0.31 0.00 0.00 61.69 59.89 1t0y s THR 42 Cb 0.00 -2.08 0.15 0.00 0.01 0.00 0.00 72.50 70.58 1t0y s THR 42 CO 0.00 -0.14 1.86 0.58 -0.69 0.00 0.00 174.62 176.23 1t0y h VAL 43 N 3.22 1.13 -0.60 3.82 2.07 -1.96 -2.87 116.25 121.05 1t0y h VAL 43 Ca -0.46 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1t0y h VAL 43 Cb 1.21 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1t0y h VAL 43 CO 0.48 0.17 0.39 -0.78 0.02 0.00 0.00 177.57 177.85 1t0y h ASP 44 N 0.92 0.70 0.05 0.57 3.58 -2.03 -2.63 116.42 117.59 1t0y h ASP 44 Ca 0.28 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1t0y h ASP 44 Cb -0.03 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1t0y h ASP 44 CO -0.09 0.52 -0.01 -1.20 -2.88 0.00 0.00 179.24 175.58 1t0y n SER 45 N -4.65 0.34 -3.99 2.28 7.64 -1.09 -4.69 113.62 109.45 1t0y n SER 45 Ca 0.04 -1.03 -0.30 0.00 1.01 0.00 0.00 58.87 58.59 1t0y n SER 45 Cb 0.03 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.06 2.02 -0.02 1.43 -2.45 -0.99 -0.73 119.30 116.49 1t0y s MET 46 Ca 0.44 -0.81 -0.00 0.00 -1.25 0.00 0.00 55.69 54.06 1t0y s MET 46 Cb 0.22 -2.38 -0.04 0.00 1.25 0.00 0.00 34.83 33.88 1t0y s MET 46 CO 0.37 -0.42 0.04 1.03 1.05 0.00 0.00 175.02 177.10 1t0y s ARG 47 N 1.41 2.98 -0.21 4.11 3.00 0.37 -4.87 118.95 125.74 1t0y s ARG 47 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 55.73 55.16 1t0y s ARG 47 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 34.95 31.95 1t0y s ARG 47 CO -0.08 0.66 0.05 0.42 0.00 0.00 0.00 175.30 176.35 1t0y s ILE 48 N -1.09 4.42 0.01 1.52 -1.09 -1.26 -1.46 121.20 122.24 1t0y s ILE 48 Ca 0.20 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1t0y s ILE 48 Cb -0.12 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 1t0y s ILE 48 CO 0.10 0.40 -0.10 -1.10 -1.23 0.00 0.00 174.94 173.01 1t0y s GLN 49 N 0.99 2.40 -0.21 2.79 -0.21 0.12 -2.67 119.66 122.87 1t0y s GLN 49 Ca 0.03 -0.80 -0.04 0.00 0.02 0.00 0.00 55.36 54.57 1t0y s GLN 49 Cb -0.14 -2.40 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1t0y s GLN 49 CO 0.03 0.58 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.56 1t0y s LEU 50 N -1.42 2.91 -0.17 2.90 0.20 -0.96 0.04 118.68 122.19 1t0y s LEU 50 Ca 0.16 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.63 1t0y s LEU 50 Cb -0.11 -1.73 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1t0y s LEU 50 CO 0.07 0.00 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.57 1t0y s PHE 51 N 1.34 2.74 -1.69 5.38 0.40 0.15 -0.68 117.98 125.62 1t0y s PHE 51 Ca 0.04 -1.49 0.00 0.00 -0.60 0.00 0.00 56.93 54.88 1t0y s PHE 51 Cb -0.14 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1t0y s PHE 51 CO -0.02 -0.71 0.00 -3.47 0.70 0.00 0.00 175.22 171.71 1t0y n ASP 52 N 4.40 0.00 0.00 1.36 2.03 -0.94 -0.94 116.55 122.45 1t0y n ASP 52 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1t0y n ASP 52 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t0y n GLY 53 N 0.00 1.26 0.03 0.27 0.00 -1.26 -3.09 105.19 102.39 1t0y n GLY 53 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 2.93 0.62 0.00 1.61 2.03 -1.26 -5.02 116.55 117.46 1t0y n ASP 54 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1t0y n ASP 54 Cb 0.00 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t0y n ASP 55 N -3.09 0.00 -3.74 1.67 2.03 -1.18 -5.14 116.55 107.10 1t0y n ASP 55 Ca -0.03 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.02 1t0y n ASP 55 Cb 0.13 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.00 -1.00 -1.91 -0.67 6.02 -1.26 -3.76 117.38 114.79 1t0y n GLN 56 Ca 0.00 -1.88 -0.41 0.00 -0.01 0.00 0.00 57.00 54.70 1t0y n GLN 56 Cb 0.00 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1t0y s LEU 57 N 0.00 4.37 -0.25 1.08 2.96 -1.26 -2.21 118.68 123.37 1t0y s LEU 57 Ca 0.65 2.82 -0.06 0.00 -0.22 0.00 0.00 54.13 57.33 1t0y s LEU 57 Cb -0.02 -3.64 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 1t0y s LEU 57 CO 0.45 -0.78 -0.18 0.29 -1.32 0.00 0.00 176.35 174.81 1t0y n LYS 58 N 1.80 0.64 -3.92 1.98 5.02 0.14 -4.91 118.16 118.91 1t0y n LYS 58 Ca 0.05 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.61 1t0y n LYS 58 Cb 0.39 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1t0y n LYS 58 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1t0y s GLY 59 N -5.98 -0.28 -0.25 0.72 0.00 -1.24 -5.07 107.32 95.23 1t0y s GLY 59 Ca -0.35 0.35 -0.09 0.00 0.00 0.00 0.00 44.72 44.63 1t0y s GLY 59 CO 0.58 5.18 0.14 1.85 0.00 0.00 0.00 173.10 180.84 1t0y s GLU 60 N -2.02 3.92 0.00 2.90 2.12 -1.26 -2.27 118.70 122.09 1t0y s GLU 60 Ca 0.28 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1t0y s GLU 60 Cb 0.02 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1t0y s GLU 60 CO -0.04 -0.05 0.00 1.47 -0.54 0.00 0.00 175.26 176.10 1t0y n LEU 61 N 4.60 0.00 0.00 2.70 -0.00 -1.09 -4.92 117.00 118.29 1t0y n LEU 61 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 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 0.33 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.79 1t0y n THR 62 N 0.00 0.00 0.00 1.47 5.66 -1.26 -4.93 114.28 115.22 1t0y n THR 62 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t0y n THR 62 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1t0y n THR 62 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1t0y n ASP 63 N -0.01 0.00 0.00 1.09 9.92 -1.26 -4.84 116.55 121.45 1t0y n ASP 63 Ca 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.08 1t0y n ASP 63 Cb 0.01 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1t0y n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t0y n GLY 64 N -0.87 2.33 0.03 0.44 0.00 -1.26 -4.71 105.19 101.15 1t0y n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.09 2.32 -2.59 4.61 0.00 -1.26 -3.76 120.51 119.93 1t0y n ALA 65 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1t0y n ALA 65 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.94 0.96 0.74 0.00 -2.85 -1.26 -5.12 119.74 110.27 1t0y s LYS 66 Ca 0.00 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 53.79 1t0y s LYS 66 Cb 0.00 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1t0y s LYS 66 CO 0.00 -0.32 1.08 -1.12 0.10 0.00 0.00 175.35 175.09 1t0y s SER 67 N -2.91 5.01 0.39 0.03 0.01 -1.26 -4.14 113.70 110.83 1t0y s SER 67 Ca 0.10 1.43 0.12 0.00 1.31 0.00 0.00 55.95 58.92 1t0y s SER 67 Cb 0.04 -2.25 0.79 0.00 0.21 0.00 0.00 66.02 64.81 1t0y s SER 67 CO -0.06 -1.66 1.88 -0.07 0.41 0.00 0.00 173.24 173.74 1t0y h LEU 68 N -0.87 0.06 0.05 2.44 3.38 -0.69 0.23 115.31 119.91 1t0y h LEU 68 Ca -0.45 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.26 1t0y h LEU 68 Cb 1.24 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.99 1t0y h LEU 68 CO 0.59 0.34 -0.95 0.50 0.09 0.00 0.00 178.44 179.01 1t0y h LYS 69 N 0.06 0.56 -0.18 1.13 3.11 -0.86 -0.46 116.57 119.93 1t0y h LYS 69 Ca 0.01 -0.67 -0.05 0.00 -2.81 0.00 0.00 60.65 57.13 1t0y h LYS 69 Cb 0.53 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1t0y h LYS 69 CO 0.04 1.27 -0.14 0.22 -2.81 0.00 0.00 179.45 178.03 1t0y h ASP 70 N 0.14 0.27 0.92 4.20 3.58 -1.68 -0.87 116.42 122.99 1t0y h ASP 70 Ca -0.13 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1t0y h ASP 70 Cb 1.64 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1t0y h ASP 70 CO 0.18 0.44 0.00 0.18 -2.88 0.00 0.00 179.24 177.16 1t0y n LEU 71 N -4.25 0.48 0.00 2.28 4.77 0.77 -4.89 117.00 116.16 1t0y n LEU 71 Ca -0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1t0y n LEU 71 Cb 0.28 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1t0y n LEU 71 CO 0.38 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1t0y n GLY 72 N 0.55 0.48 3.45 -0.72 0.00 -0.33 -4.99 105.19 103.62 1t0y n GLY 72 Ca 0.04 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 4.63 0.57 1.61 1.01 -0.21 -5.01 120.40 120.99 1t0y s VAL 73 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1t0y s VAL 73 Cb 0.00 -4.48 0.08 0.00 0.00 0.00 0.00 36.38 31.99 1t0y s VAL 73 CO 0.00 -1.09 0.70 0.54 0.00 0.00 0.00 175.10 175.26 1t0y n ARG 74 N 6.84 0.63 -2.35 2.72 5.12 -1.26 -4.46 116.66 123.90 1t0y n ARG 74 Ca -0.05 -3.16 -0.37 0.00 -1.93 0.00 0.00 57.85 52.35 1t0y n ARG 74 Cb 0.45 -0.10 -0.02 0.00 -1.16 0.00 0.00 32.46 31.63 1t0y n ARG 74 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1t0y s ASP 75 N -4.47 6.36 0.00 0.55 -4.77 -1.26 -3.22 116.67 109.86 1t0y s ASP 75 Ca 0.53 2.23 0.00 0.00 -3.30 0.00 0.00 52.55 52.01 1t0y s ASP 75 Cb -0.04 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1t0y s ASP 75 CO 0.34 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 176.04 1t0y n GLY 76 N 0.41 1.71 3.86 2.12 0.00 0.14 -4.90 105.19 108.52 1t0y n GLY 76 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.75 3.53 -0.12 1.61 1.51 -1.20 -4.79 117.35 115.14 1t0y s TYR 77 Ca 0.00 1.33 0.01 0.00 -1.01 0.00 0.00 57.07 57.40 1t0y s TYR 77 Cb 0.00 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.12 1t0y s TYR 77 CO 0.00 -0.48 -0.16 -0.98 -1.11 0.00 0.00 175.55 172.83 1t0y s ARG 78 N -4.55 3.28 -0.24 -0.62 1.70 -0.12 -1.45 118.95 116.94 1t0y s ARG 78 Ca 0.56 -0.73 -0.08 0.00 -0.47 0.00 0.00 55.73 55.01 1t0y s ARG 78 Cb -0.10 -2.55 -0.03 0.00 -0.57 0.00 0.00 34.95 31.69 1t0y s ARG 78 CO 0.41 0.22 0.09 0.42 -1.08 0.00 0.00 175.30 175.37 1t0y s ILE 79 N 0.30 4.57 -0.30 4.99 -1.09 0.61 -0.68 121.20 129.60 1t0y s ILE 79 Ca -0.12 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 1t0y s ILE 79 Cb -0.16 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1t0y s ILE 79 CO 0.06 0.34 0.19 -2.28 -1.23 0.00 0.00 174.94 172.03 1t0y s HIS 80 N 1.45 3.21 -0.13 3.97 5.65 0.11 -0.22 115.29 129.32 1t0y s HIS 80 Ca 0.06 -0.12 -0.09 0.00 0.25 0.00 0.00 55.06 55.16 1t0y s HIS 80 Cb -0.15 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 1t0y s HIS 80 CO 0.05 -0.28 0.17 0.00 -0.65 0.00 0.00 174.74 174.02 1t0y s ALA 81 N 1.72 3.81 -0.09 1.58 0.00 0.14 0.15 121.76 129.06 1t0y s ALA 81 Ca 0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1t0y s ALA 81 Cb -0.17 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1t0y s ALA 81 CO 0.10 0.48 0.22 0.54 0.00 0.00 0.00 175.76 177.10 1t0y s VAL 82 N -0.63 -0.03 -0.11 0.00 0.11 -0.54 -2.25 120.40 116.95 1t0y s VAL 82 Ca 0.14 0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1t0y s VAL 82 Cb -0.12 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1t0y s VAL 82 CO 0.03 0.05 0.10 -0.62 -3.33 0.00 0.00 175.10 171.33 1t0y s ASP 83 N 0.99 6.02 -0.14 3.54 2.15 -1.26 -0.48 116.67 127.48 1t0y s ASP 83 Ca -0.07 0.36 0.17 0.00 0.43 0.00 0.00 52.55 53.44 1t0y s ASP 83 Cb -0.09 -1.88 -0.24 0.00 -0.30 0.00 0.00 42.92 40.41 1t0y s ASP 83 CO -0.06 0.40 0.15 0.52 -0.17 0.00 0.00 175.17 176.01 1t0y n VAL 84 N 2.02 0.96 -0.03 1.11 0.31 0.09 -3.06 118.33 119.73 1t0y n VAL 84 Ca -0.19 -0.70 -0.15 0.00 -0.01 0.00 0.00 64.34 63.29 1t0y n VAL 84 Cb 0.55 -0.38 -0.14 0.00 -0.91 0.00 0.00 33.84 32.95 1t0y n VAL 84 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1t0y n THR 85 N -2.56 1.64 0.48 2.52 -2.24 -1.26 -4.12 114.28 108.74 1t0y n THR 85 Ca -0.24 -0.72 0.05 0.00 -2.27 0.00 0.00 64.05 60.87 1t0y n THR 85 Cb 0.96 -1.29 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1t0y n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t0y n GLY 86 N 1.83 -0.19 3.85 3.38 0.00 -1.26 -4.97 105.19 107.83 1t0y n GLY 86 Ca -0.28 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1t0y n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t0y s GLY 87 N -1.30 2.44 -0.03 -0.02 0.00 -1.17 -5.04 107.32 102.20 1t0y s GLY 87 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 1t0y s GLY 87 CO 0.24 0.06 0.16 0.54 0.00 0.00 0.00 173.10 174.09 1t0y s ASN 88 N -1.25 6.23 -0.04 1.64 2.20 -1.26 -4.59 114.94 117.88 1t0y s ASN 88 Ca 0.26 0.33 0.05 0.00 -0.94 0.00 0.00 52.86 52.56 1t0y s ASN 88 Cb -0.16 -1.94 0.08 0.00 -2.00 0.00 0.00 41.25 37.24 1t0y s ASN 88 CO 0.14 0.29 1.00 -0.62 -2.94 0.00 0.00 177.10 174.97 1t0y n GLU 89 N 1.16 0.49 0.00 3.55 -0.58 -1.26 -4.79 120.64 119.21 1t0y n GLU 89 Ca -0.13 -1.43 0.15 0.00 -0.42 0.00 0.00 57.16 55.33 1t0y n GLU 89 Cb 0.53 -0.81 0.71 0.00 -0.57 0.00 0.00 31.44 31.30 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18