#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5at1 s VAL 9 N 0.00 3.76 0.86 1.61 -7.23 -1.26 -5.11 120.40 113.03 5at1 s VAL 9 Ca 0.00 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.59 5at1 s VAL 9 Cb 0.00 -2.55 0.11 0.00 0.56 0.00 0.00 36.38 34.50 5at1 s VAL 9 CO 0.00 0.59 1.11 -1.83 -0.31 0.00 0.00 175.10 174.65 5at1 s GLU 10 N -0.86 1.50 0.82 4.82 1.03 -1.26 -5.06 118.70 119.68 5at1 s GLU 10 Ca 0.13 1.23 -0.11 0.00 0.03 0.00 0.00 54.97 56.25 5at1 s GLU 10 Cb -0.11 -1.81 0.08 0.00 -0.80 0.00 0.00 34.13 31.50 5at1 s GLU 10 CO 0.02 -2.20 1.09 0.00 -1.33 0.00 0.00 175.26 172.85 5at1 s ALA 11 N -2.79 1.99 0.36 -0.84 0.00 -1.26 -5.08 121.76 114.13 5at1 s ALA 11 Ca 0.64 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.87 5at1 s ALA 11 Cb -0.20 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 5at1 s ALA 11 CO 0.57 -2.01 -0.04 0.96 0.00 0.00 0.00 175.76 175.25 5at1 s ILE 12 N -2.89 1.99 -0.09 0.00 -4.36 -1.26 -5.07 121.20 109.52 5at1 s ILE 12 Ca 0.62 -2.10 -0.26 0.00 -0.26 0.00 0.00 60.65 58.66 5at1 s ILE 12 Cb -0.18 -2.77 -0.27 0.00 1.25 0.00 0.00 42.46 40.49 5at1 s ILE 12 CO 0.56 -0.12 0.88 0.50 0.24 0.00 0.00 174.94 177.00 5at1 h LYS 13 N 1.97 0.14 -2.74 0.37 3.11 -1.93 -3.42 116.57 114.07 5at1 h LYS 13 Ca -0.42 -0.21 -0.10 0.00 -2.81 0.00 0.00 60.65 57.10 5at1 h LYS 13 Cb 1.24 0.07 -0.20 0.00 -1.00 0.00 0.00 32.23 32.35 5at1 h LYS 13 CO 0.74 1.06 -0.15 0.50 -2.81 0.00 0.00 179.45 178.79 5at1 s ARG 14 N -2.53 0.77 0.00 1.90 3.52 -1.26 -0.63 118.95 120.73 5at1 s ARG 14 Ca -0.16 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 5at1 s ARG 14 Cb -0.01 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 5at1 s ARG 14 CO 0.75 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 5at1 n GLY 15 N 1.22 0.78 3.16 8.12 0.00 0.84 -0.61 105.19 118.69 5at1 n GLY 15 Ca -0.21 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 5at1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5at1 s THR 16 N -3.16 1.32 -0.15 2.61 2.01 -0.61 -1.92 115.64 115.74 5at1 s THR 16 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 5at1 s THR 16 Cb 0.00 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.42 5at1 s THR 16 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.41 5at1 s VAL 17 N -0.47 1.62 -0.60 3.82 1.01 -0.52 -2.08 120.40 123.18 5at1 s VAL 17 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 5at1 s VAL 17 Cb -0.07 -1.51 0.15 0.00 0.00 0.00 0.00 36.38 34.95 5at1 s VAL 17 CO -0.00 0.47 0.52 -0.63 0.00 0.00 0.00 175.10 175.45 5at1 s ILE 18 N 1.45 4.95 0.29 2.22 1.01 0.54 -1.82 121.20 129.84 5at1 s ILE 18 Ca 0.05 -1.90 0.01 0.00 0.00 0.00 0.00 60.65 58.80 5at1 s ILE 18 Cb -0.13 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 5at1 s ILE 18 CO -0.11 -0.88 0.47 -0.62 0.00 0.00 0.00 174.94 173.80 5at1 s ASP 19 N 2.83 6.33 -0.98 3.58 -1.08 -0.07 -1.55 116.67 125.73 5at1 s ASP 19 Ca 0.08 0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 52.46 5at1 s ASP 19 Cb -0.24 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 5at1 s ASP 19 CO -0.01 -0.18 0.28 1.41 0.52 0.00 0.00 175.17 177.19 5at1 n HIS 20 N -1.40 -1.06 -2.41 -5.34 8.25 -1.24 -0.51 115.22 111.52 5at1 n HIS 20 Ca -0.06 0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 5at1 n HIS 20 Cb 0.56 -3.06 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 5at1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 5at1 s ILE 21 N -2.85 4.06 0.97 1.59 1.01 -0.76 -4.00 121.20 121.21 5at1 s ILE 21 Ca 0.14 1.45 -0.12 0.00 0.00 0.00 0.00 60.65 62.12 5at1 s ILE 21 Cb -0.06 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.60 5at1 s ILE 21 CO 0.17 0.06 0.77 -0.81 0.00 0.00 0.00 174.94 175.14 5at1 n PRO 22 N 4.53 -0.66 -1.08 2.79 -0.04 -1.26 0.02 135.00 139.29 5at1 n PRO 22 Ca 0.10 -0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 5at1 n PRO 22 Cb 0.46 -2.11 0.13 0.00 -0.04 0.00 0.00 33.50 31.94 5at1 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5at1 s ALA 23 N -2.50 1.82 0.00 0.55 0.00 -1.25 -3.26 121.76 117.11 5at1 s ALA 23 Ca 0.62 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.37 5at1 s ALA 23 Cb -0.22 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.43 5at1 s ALA 23 CO 0.63 -2.32 0.00 1.04 0.00 0.00 0.00 175.76 175.11 5at1 n GLN 24 N -3.41 0.00 0.08 0.00 1.13 -1.26 -4.68 117.38 109.24 5at1 n GLN 24 Ca 0.13 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 5at1 n GLN 24 Cb 0.51 -3.35 -0.04 0.00 0.11 0.00 0.00 30.24 27.46 5at1 n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 5at1 h ILE 25 N 0.00 1.52 -0.74 5.09 1.08 -1.93 -3.26 117.51 119.28 5at1 h ILE 25 Ca 0.00 -2.78 0.14 0.00 -0.39 0.00 0.00 64.86 61.83 5at1 h ILE 25 Cb 0.00 2.59 -0.05 0.00 -3.07 0.00 0.00 36.82 36.29 5at1 h ILE 25 CO 0.00 0.81 0.49 1.23 -0.69 0.00 0.00 178.15 179.99 5at1 h GLY 26 N 1.94 0.69 1.42 5.37 0.00 -1.84 0.25 103.07 110.91 5at1 h GLY 26 Ca -0.05 -0.18 -0.24 0.00 0.00 0.00 0.00 47.33 46.85 5at1 h GLY 26 CO 0.14 0.07 -0.99 -2.75 0.00 0.00 0.00 176.54 173.01 5at1 h PHE 27 N 0.42 0.77 -0.51 5.60 3.57 -1.94 -2.83 116.94 122.02 5at1 h PHE 27 Ca 0.36 -0.42 0.07 0.00 3.53 0.00 0.00 57.97 61.50 5at1 h PHE 27 Cb 0.81 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 5at1 h PHE 27 CO -0.00 1.25 0.19 0.87 -2.23 0.00 0.00 178.31 178.39 5at1 h LYS 28 N 0.28 0.37 -0.14 1.11 1.57 -0.69 -2.23 116.57 116.84 5at1 h LYS 28 Ca -0.10 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 5at1 h LYS 28 Cb 1.64 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 5at1 h LYS 28 CO 0.18 0.24 0.07 -0.07 -0.57 0.00 0.00 179.45 179.30 5at1 h LEU 29 N 0.38 0.10 -0.41 2.94 3.38 -0.95 0.42 115.31 121.17 5at1 h LEU 29 Ca 0.24 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.30 5at1 h LEU 29 Cb 0.25 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 5at1 h LEU 29 CO -0.24 0.08 -0.05 -0.07 0.09 0.00 0.00 178.44 178.25 5at1 h LEU 30 N 0.15 -0.28 0.81 1.67 3.38 -1.23 -0.62 115.31 119.18 5at1 h LEU 30 Ca 0.05 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 5at1 h LEU 30 Cb 0.01 0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.98 5at1 h LEU 30 CO -0.04 -0.10 -0.39 0.28 0.09 0.00 0.00 178.44 178.29 5at1 h SER 31 N 0.05 -0.92 -0.35 -0.43 0.02 -0.93 -1.75 113.55 109.25 5at1 h SER 31 Ca 0.20 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 5at1 h SER 31 Cb 0.30 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 5at1 h SER 31 CO -0.38 -0.57 0.19 -0.07 -1.14 0.00 0.00 176.83 174.85 5at1 h LEU 32 N -1.25 0.44 -2.15 5.07 3.38 -0.92 -2.59 115.31 117.30 5at1 h LEU 32 Ca -0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.77 5at1 h LEU 32 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 5at1 h LEU 32 CO 0.18 0.40 0.00 0.49 0.09 0.00 0.00 178.44 179.61 5at1 n PHE 33 N -4.77 0.80 -2.73 1.13 3.72 -0.24 -4.93 117.46 110.43 5at1 n PHE 33 Ca -0.01 -0.39 -0.15 0.00 -0.05 0.00 0.00 57.45 56.85 5at1 n PHE 33 Cb 0.08 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 5at1 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 5at1 n LYS 34 N 1.15 -2.71 0.29 -1.08 5.02 -0.67 -4.84 118.16 115.33 5at1 n LYS 34 Ca 0.19 0.53 0.19 0.00 -2.02 0.00 0.00 58.31 57.20 5at1 n LYS 34 Cb 0.50 -5.16 0.92 0.00 -0.02 0.00 0.00 35.03 31.27 5at1 n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 5at1 h LEU 35 N -0.33 0.00 -0.43 -0.35 3.38 -1.80 -2.49 115.31 113.29 5at1 h LEU 35 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 5at1 h LEU 35 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 5at1 h LEU 35 CO 0.38 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.62 5at1 h THR 36 N 0.00 0.00 -1.20 0.22 1.35 -1.88 -3.38 112.91 108.02 5at1 h THR 36 Ca 0.00 -0.59 -0.73 0.00 -0.55 0.00 0.00 66.41 64.54 5at1 h THR 36 Cb 0.21 1.54 -0.12 0.00 -1.73 0.00 0.00 68.15 68.05 5at1 h THR 36 CO 0.00 0.00 2.13 -0.62 -0.25 0.00 0.00 175.52 176.78 5at1 n GLU 37 N -2.68 3.32 -3.64 4.72 1.02 -0.94 -4.73 120.64 117.72 5at1 n GLU 37 Ca 0.03 -3.37 -0.06 0.00 -0.02 0.00 0.00 57.16 53.75 5at1 n GLU 37 Cb 0.40 -3.13 -0.07 0.00 -0.02 0.00 0.00 31.44 28.62 5at1 n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 5at1 s THR 38 N 1.91 0.00 -0.70 2.62 -1.32 -1.26 -5.07 115.64 111.82 5at1 s THR 38 Ca 0.44 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.81 5at1 s THR 38 Cb 0.07 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.24 5at1 s THR 38 CO -0.00 0.00 0.61 -0.62 -2.21 0.00 0.00 174.62 172.40 5at1 s ASP 39 N 1.05 6.21 -0.01 8.08 2.15 -1.26 -4.88 116.67 128.01 5at1 s ASP 39 Ca -0.05 -2.53 -0.25 0.00 0.43 0.00 0.00 52.55 50.14 5at1 s ASP 39 Cb -0.04 -2.10 0.06 0.00 -0.30 0.00 0.00 42.92 40.53 5at1 s ASP 39 CO -0.13 -0.57 0.56 -1.58 -0.17 0.00 0.00 175.17 173.28 5at1 s GLN 40 N 0.42 0.98 -0.19 4.34 2.00 -1.26 -5.15 119.66 120.80 5at1 s GLN 40 Ca 0.14 0.02 -0.29 0.00 -2.00 0.00 0.00 55.36 53.23 5at1 s GLN 40 Cb -0.17 0.45 -0.02 0.00 0.80 0.00 0.00 33.01 34.07 5at1 s GLN 40 CO -0.05 -0.32 1.49 0.50 -0.50 0.00 0.00 175.29 176.41 5at1 s ARG 41 N -1.60 3.99 -0.04 1.67 6.06 -1.26 -4.92 118.95 122.84 5at1 s ARG 41 Ca -0.10 1.69 0.07 0.00 -2.50 0.00 0.00 55.73 54.89 5at1 s ARG 41 Cb -0.01 -3.94 -0.01 0.00 0.06 0.00 0.00 34.95 31.05 5at1 s ARG 41 CO 0.05 -1.04 -0.25 0.42 -2.50 0.00 0.00 175.30 171.98 5at1 s ILE 42 N 4.44 2.02 -0.14 4.11 1.01 -1.26 -0.87 121.20 130.50 5at1 s ILE 42 Ca 0.65 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 5at1 s ILE 42 Cb -0.24 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 5at1 s ILE 42 CO 0.25 0.57 -0.13 -0.89 0.00 0.00 0.00 174.94 174.73 5at1 s THR 43 N -0.35 2.97 -0.08 2.92 2.01 0.36 -5.00 115.64 118.47 5at1 s THR 43 Ca 0.02 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.38 5at1 s THR 43 Cb -0.12 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.13 5at1 s THR 43 CO 0.02 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.63 5at1 s ILE 44 N 0.57 1.74 -0.12 1.82 1.01 -1.26 -0.56 121.20 124.40 5at1 s ILE 44 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.75 5at1 s ILE 44 Cb -0.16 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.81 5at1 s ILE 44 CO 0.03 0.49 -0.20 -0.83 0.00 0.00 0.00 174.94 174.43 5at1 s GLY 45 N 0.35 1.22 0.06 6.18 0.00 -0.65 -5.02 107.32 109.47 5at1 s GLY 45 Ca -0.15 -0.91 0.09 0.00 0.00 0.00 0.00 44.72 43.75 5at1 s GLY 45 CO 0.06 -0.03 -0.25 1.08 0.00 0.00 0.00 173.10 173.96 5at1 s LEU 46 N 0.72 2.19 -1.46 0.66 1.43 -1.26 -0.76 118.68 120.20 5at1 s LEU 46 Ca -0.11 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 5at1 s LEU 46 Cb -0.16 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 44.90 5at1 s LEU 46 CO 0.01 0.23 0.68 0.59 0.23 0.00 0.00 176.35 178.09 5at1 n ASN 47 N 1.67 -2.04 -4.79 2.29 3.02 -1.14 -4.97 115.26 109.30 5at1 n ASN 47 Ca -0.17 -0.91 -0.35 0.00 -0.03 0.00 0.00 54.58 53.13 5at1 n ASN 47 Cb 0.52 -3.46 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 5at1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 5at1 s LEU 48 N -7.01 3.90 0.00 3.41 1.43 0.89 -4.83 118.68 116.46 5at1 s LEU 48 Ca 0.27 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 5at1 s LEU 48 Cb -0.14 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.59 5at1 s LEU 48 CO 0.86 -0.75 0.07 -0.81 0.23 0.00 0.00 176.35 175.95 5at1 n PRO 49 N -0.80 0.00 -2.63 1.29 -0.04 -1.26 -0.68 135.00 130.88 5at1 n PRO 49 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 5at1 n PRO 49 Cb 0.52 -0.39 -0.05 0.00 -0.04 0.00 0.00 33.50 33.54 5at1 n PRO 49 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 5at1 n SER 50 N -0.12 -0.69 -0.37 3.54 3.41 -1.26 -3.38 113.62 114.74 5at1 n SER 50 Ca 0.00 1.34 0.31 0.00 -0.26 0.00 0.00 58.87 60.26 5at1 n SER 50 Cb 0.00 -5.10 0.63 0.00 -0.26 0.00 0.00 64.21 59.48 5at1 n SER 50 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 5at1 h GLY 51 N 4.20 0.81 1.45 5.00 0.00 -1.96 -0.95 103.07 111.61 5at1 h GLY 51 Ca -0.55 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.67 5at1 h GLY 51 CO 0.01 -0.15 0.23 0.83 0.00 0.00 0.00 176.54 177.46 5at1 h GLU 52 N 0.19 0.00 0.00 4.80 3.07 -2.02 -2.74 114.58 117.88 5at1 h GLU 52 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 5at1 h GLU 52 Cb 2.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.99 5at1 h GLU 52 CO -0.22 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.06 5at1 n MET 53 N -2.39 0.00 0.00 2.33 2.81 -0.41 -5.04 117.12 114.41 5at1 n MET 53 Ca -0.01 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 5at1 n MET 53 Cb 0.26 -0.45 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 5at1 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 5at1 n GLY 54 N 0.00 2.27 2.93 3.03 0.00 -0.88 -4.74 105.19 107.80 5at1 n GLY 54 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 5at1 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5at1 s ARG 55 N 0.00 0.47 0.14 1.61 0.52 -1.22 -4.22 118.95 116.25 5at1 s ARG 55 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 5at1 s ARG 55 Cb 0.00 -0.49 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 5at1 s ARG 55 CO 0.00 0.05 0.01 -1.59 0.02 0.00 0.00 175.30 173.79 5at1 s LYS 56 N 0.20 0.97 0.23 3.54 -2.85 0.15 -3.97 119.74 118.01 5at1 s LYS 56 Ca -0.02 -1.45 0.11 0.00 -1.00 0.00 0.00 55.97 53.61 5at1 s LYS 56 Cb -0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 37.83 35.63 5at1 s LYS 56 CO -0.00 -0.16 -0.21 -0.51 0.10 0.00 0.00 175.35 174.57 5at1 s ASP 57 N -3.09 3.36 -0.19 0.03 -0.00 0.10 -0.08 116.67 116.80 5at1 s ASP 57 Ca 0.21 -0.96 -0.06 0.00 -0.00 0.00 0.00 52.55 51.74 5at1 s ASP 57 Cb 0.07 -0.26 0.09 0.00 -0.00 0.00 0.00 42.92 42.82 5at1 s ASP 57 CO 0.01 0.04 0.38 -0.22 -0.00 0.00 0.00 175.17 175.38 5at1 s LEU 58 N -3.14 -0.57 -0.13 1.23 0.20 0.06 -1.82 118.68 114.50 5at1 s LEU 58 Ca 0.25 0.78 -0.05 0.00 0.69 0.00 0.00 54.13 55.79 5at1 s LEU 58 Cb -0.06 1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 46.84 5at1 s LEU 58 CO 0.12 -0.25 0.06 -0.63 -0.29 0.00 0.00 176.35 175.36 5at1 s ILE 59 N 2.56 4.81 -0.25 6.68 1.01 -0.59 -1.63 121.20 133.79 5at1 s ILE 59 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.64 5at1 s ILE 59 Cb -0.13 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.29 5at1 s ILE 59 CO -0.12 0.55 -0.12 -0.54 0.00 0.00 0.00 174.94 174.71 5at1 s LYS 60 N -0.43 2.42 -0.22 2.79 1.02 0.27 -0.34 119.74 125.24 5at1 s LYS 60 Ca 0.10 -1.23 -0.05 0.00 0.02 0.00 0.00 55.97 54.80 5at1 s LYS 60 Cb -0.12 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 5at1 s LYS 60 CO 0.02 -0.50 0.01 0.42 -0.92 0.00 0.00 175.35 174.38 5at1 s ILE 61 N 1.16 3.92 0.31 2.17 1.09 -0.88 -0.49 121.20 128.48 5at1 s ILE 61 Ca -0.06 -0.31 -0.21 0.00 -1.10 0.00 0.00 60.65 58.97 5at1 s ILE 61 Cb -0.19 -2.80 -0.09 0.00 -1.06 0.00 0.00 42.46 38.32 5at1 s ILE 61 CO -0.06 0.40 0.83 -0.70 -0.10 0.00 0.00 174.94 175.31 5at1 s GLU 62 N 1.29 4.29 -1.68 2.79 2.12 -0.05 -1.57 118.70 125.90 5at1 s GLU 62 Ca 0.04 1.01 -0.18 0.00 0.36 0.00 0.00 54.97 56.20 5at1 s GLU 62 Cb -0.15 -2.62 0.15 0.00 0.26 0.00 0.00 34.13 31.77 5at1 s GLU 62 CO 0.01 0.23 0.82 0.09 -0.54 0.00 0.00 175.26 175.86 5at1 n ASN 63 N 0.18 -3.50 -3.90 -1.70 3.02 0.22 -4.57 115.26 105.00 5at1 n ASN 63 Ca 0.02 -0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 53.44 5at1 n ASN 63 Cb 0.52 -2.93 -0.15 0.00 -0.61 0.00 0.00 39.78 36.61 5at1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 5at1 s THR 64 N -3.30 0.23 -0.27 3.41 2.01 -1.26 -4.91 115.64 111.54 5at1 s THR 64 Ca 0.72 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.64 5at1 s THR 64 Cb -0.39 -0.22 0.08 0.00 0.01 0.00 0.00 72.50 71.98 5at1 s THR 64 CO 0.91 0.09 0.01 -0.36 -0.69 0.00 0.00 174.62 174.58 5at1 s PHE 65 N 0.17 2.41 -0.25 4.92 0.40 -1.26 -2.61 117.98 121.76 5at1 s PHE 65 Ca -0.01 -1.95 -0.29 0.00 -0.60 0.00 0.00 56.93 54.08 5at1 s PHE 65 Cb -0.04 -1.85 -0.00 0.00 0.51 0.00 0.00 43.02 41.64 5at1 s PHE 65 CO -0.00 -0.83 1.25 -0.51 0.70 0.00 0.00 175.22 175.83 5at1 s LEU 66 N 1.38 4.00 -0.02 -0.37 1.02 -1.26 -4.99 118.68 118.44 5at1 s LEU 66 Ca 0.02 1.37 0.05 0.00 0.02 0.00 0.00 54.13 55.59 5at1 s LEU 66 Cb -0.18 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 5at1 s LEU 66 CO -0.12 -0.93 -0.17 -0.44 0.02 0.00 0.00 176.35 174.71 5at1 s SER 67 N 2.32 3.82 0.23 2.29 0.01 -1.26 -4.76 113.70 116.34 5at1 s SER 67 Ca 0.54 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.50 5at1 s SER 67 Cb -0.18 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.35 5at1 s SER 67 CO 0.18 0.32 0.00 -0.62 0.41 0.00 0.00 173.24 173.53 5at1 n GLU 68 N 2.12 0.00 -0.14 12.44 4.71 -1.26 -2.61 120.64 135.89 5at1 n GLU 68 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 56.95 5at1 n GLU 68 Cb 0.52 0.00 0.17 0.00 -1.01 0.00 0.00 31.44 31.12 5at1 n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 5at1 h ASP 69 N 0.00 0.81 -0.80 1.62 2.03 -1.99 -2.86 116.42 115.24 5at1 h ASP 69 Ca 0.00 -0.16 0.08 0.00 -0.73 0.00 0.00 57.03 56.22 5at1 h ASP 69 Cb 0.00 -0.21 -0.07 0.00 -0.83 0.00 0.00 39.33 38.22 5at1 h ASP 69 CO 0.00 0.81 0.47 1.56 -1.03 0.00 0.00 179.24 181.05 5at1 h GLN 70 N 0.83 0.80 0.14 4.15 4.20 -1.86 0.13 115.11 123.50 5at1 h GLN 70 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 5at1 h GLN 70 Cb 0.33 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.93 5at1 h GLN 70 CO 0.00 0.53 -0.07 0.28 -0.67 0.00 0.00 178.83 178.90 5at1 h VAL 71 N 0.82 0.90 -0.60 -0.54 2.07 -1.73 -2.61 116.25 114.56 5at1 h VAL 71 Ca 0.37 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.78 5at1 h VAL 71 Cb 0.27 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 5at1 h VAL 71 CO -0.21 0.03 0.40 0.44 0.02 0.00 0.00 177.57 178.25 5at1 h ASP 72 N -0.25 0.63 0.39 0.57 5.19 -1.29 -2.17 116.42 119.48 5at1 h ASP 72 Ca -0.02 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 5at1 h ASP 72 Cb 0.20 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 5at1 h ASP 72 CO 0.03 0.44 -0.12 1.56 -3.12 0.00 0.00 179.24 178.04 5at1 h GLN 73 N 0.74 0.00 0.00 3.56 1.08 -0.36 -1.59 115.11 118.54 5at1 h GLN 73 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 5at1 h GLN 73 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 5at1 h GLN 73 CO -0.06 0.12 0.00 1.28 -0.95 0.00 0.00 178.83 179.22 5at1 n LEU 74 N -3.63 0.53 0.02 1.46 4.77 -0.82 -3.35 117.00 115.99 5at1 n LEU 74 Ca -0.02 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 5at1 n LEU 74 Cb 0.24 -0.54 0.62 0.00 -2.33 0.00 0.00 43.42 41.41 5at1 n LEU 74 CO 0.30 -0.46 1.16 0.00 -1.33 0.00 0.00 177.39 177.07 5at1 h ALA 75 N 2.35 2.26 0.00 -1.18 0.00 -1.39 -0.15 119.26 121.16 5at1 h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 5at1 h ALA 75 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 5at1 h ALA 75 CO 0.00 -0.38 -0.23 1.25 0.00 0.00 0.00 179.25 179.89 5at1 h LEU 76 N 0.13 0.00 0.00 0.00 5.85 -1.78 -3.34 115.31 116.16 5at1 h LEU 76 Ca 0.22 -0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.59 5at1 h LEU 76 Cb 0.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 5at1 h LEU 76 CO -0.03 0.04 -1.92 -1.22 -0.34 0.00 0.00 178.44 174.97 5at1 n TYR 77 N -2.25 0.00 -3.37 1.25 4.01 -0.17 -4.84 117.16 111.79 5at1 n TYR 77 Ca 0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.53 5at1 n TYR 77 Cb 0.44 -0.59 -0.09 0.00 -0.31 0.00 0.00 39.34 38.79 5at1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 5at1 n ALA 78 N -3.72 2.91 0.62 -0.72 0.00 -0.58 -4.96 120.51 114.06 5at1 n ALA 78 Ca -0.32 -3.61 0.06 0.00 0.00 0.00 0.00 53.44 49.57 5at1 n ALA 78 Cb 0.73 -0.83 0.33 0.00 0.00 0.00 0.00 19.45 19.69 5at1 n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 5at1 n PRO 79 N 1.89 0.19 0.00 0.00 -0.04 -1.25 -2.05 135.00 133.74 5at1 n PRO 79 Ca 0.25 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 5at1 n PRO 79 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 5at1 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5at1 n GLN 80 N -1.29 1.90 -1.72 0.54 0.00 -1.26 -4.43 117.38 111.12 5at1 n GLN 80 Ca 0.06 -1.70 -0.42 0.00 0.00 0.00 0.00 57.00 54.94 5at1 n GLN 80 Cb 0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 28.91 5at1 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 5at1 s ALA 81 N -1.80 3.68 -0.23 2.61 0.00 -0.87 -4.82 121.76 120.34 5at1 s ALA 81 Ca 0.24 1.37 -0.27 0.00 0.00 0.00 0.00 51.96 53.30 5at1 s ALA 81 Cb 0.18 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.50 5at1 s ALA 81 CO 0.28 -1.36 0.93 0.99 0.00 0.00 0.00 175.76 176.60 5at1 s THR 82 N 3.45 4.77 -0.21 0.00 2.01 0.33 -4.00 115.64 121.99 5at1 s THR 82 Ca 0.83 1.79 -0.10 0.00 0.31 0.00 0.00 61.69 64.52 5at1 s THR 82 Cb -0.44 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 5at1 s THR 82 CO 0.38 -0.11 0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 5at1 s VAL 83 N 2.94 5.36 -0.08 3.82 1.01 0.37 -0.89 120.40 132.93 5at1 s VAL 83 Ca 0.40 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.59 5at1 s VAL 83 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 5at1 s VAL 83 CO 0.07 0.43 -0.20 0.20 0.00 0.00 0.00 175.10 175.60 5at1 s ASN 84 N 0.48 2.57 0.29 3.32 0.01 -0.76 0.94 114.94 121.79 5at1 s ASN 84 Ca 0.08 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.66 5at1 s ASN 84 Cb -0.12 -1.05 -0.08 0.00 0.41 0.00 0.00 41.25 40.42 5at1 s ASN 84 CO -0.01 0.13 0.66 -0.13 -1.51 0.00 0.00 177.10 176.24 5at1 s ARG 85 N 0.32 3.89 -0.11 -0.60 0.52 -0.90 -1.44 118.95 120.62 5at1 s ARG 85 Ca -0.13 0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.51 5at1 s ARG 85 Cb -0.16 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 32.84 5at1 s ARG 85 CO 0.06 0.20 0.14 0.42 0.02 0.00 0.00 175.30 176.14 5at1 s ILE 86 N -1.96 -0.21 -0.05 1.52 1.09 -0.81 -1.17 121.20 119.61 5at1 s ILE 86 Ca 0.51 0.22 0.08 0.00 -1.10 0.00 0.00 60.65 60.35 5at1 s ILE 86 Cb -0.11 -0.37 0.11 0.00 -1.06 0.00 0.00 42.46 41.04 5at1 s ILE 86 CO 0.21 0.03 1.01 -0.90 -0.10 0.00 0.00 174.94 175.19 5at1 n ASP 87 N 5.31 1.10 0.00 3.58 5.68 -1.24 -0.11 116.55 130.87 5at1 n ASP 87 Ca -0.05 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 5at1 n ASP 87 Cb 0.50 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 5at1 n ASP 87 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 5at1 n ASN 88 N -0.61 0.00 0.00 -1.12 2.85 -1.07 -4.89 115.26 110.42 5at1 n ASN 88 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 5at1 n ASN 88 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 5at1 n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 5at1 n TYR 89 N 0.00 0.00 -3.57 1.20 4.01 0.20 -4.74 117.16 114.26 5at1 n TYR 89 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 5at1 n TYR 89 Cb 0.00 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 38.40 5at1 n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 5at1 s GLU 90 N -0.11 1.00 -0.43 -0.72 2.56 -1.26 -4.93 118.70 114.80 5at1 s GLU 90 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 54.97 54.20 5at1 s GLU 90 Cb 0.00 0.42 -0.12 0.00 2.00 0.00 0.00 34.13 36.43 5at1 s GLU 90 CO 0.00 -0.45 2.28 0.28 -0.56 0.00 0.00 175.26 176.82 5at1 n VAL 91 N -0.33 0.13 -0.05 3.70 0.31 -1.26 -3.66 118.33 117.18 5at1 n VAL 91 Ca -0.09 -0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 5at1 n VAL 91 Cb 0.62 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.67 5at1 n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 5at1 n VAL 92 N 7.38 1.06 -3.80 2.52 0.31 -0.32 -4.97 118.33 120.51 5at1 n VAL 92 Ca 0.43 -0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 5at1 n VAL 92 Cb 0.26 -0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 32.66 5at1 n VAL 92 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 5at1 s GLY 93 N -5.11 0.00 -0.05 2.92 0.00 -1.24 -4.97 107.32 98.87 5at1 s GLY 93 Ca -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 5at1 s GLY 93 CO 0.84 -0.67 0.13 1.25 0.00 0.00 0.00 173.10 174.65 5at1 s LYS 94 N -3.78 0.14 0.04 2.90 2.20 -1.26 -2.12 119.74 117.87 5at1 s LYS 94 Ca 0.04 0.18 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 5at1 s LYS 94 Cb 0.04 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 5at1 s LYS 94 CO -0.11 -0.02 -0.00 -1.12 -0.36 0.00 0.00 175.35 173.73 5at1 s SER 95 N 0.12 0.33 0.02 1.43 0.01 0.27 -4.96 113.70 110.91 5at1 s SER 95 Ca -0.00 -0.71 0.07 0.00 1.31 0.00 0.00 55.95 56.61 5at1 s SER 95 Cb -0.01 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 5at1 s SER 95 CO -0.00 -0.47 -0.20 -0.60 0.41 0.00 0.00 173.24 172.38 5at1 s ARG 96 N -2.70 1.50 0.13 12.44 6.06 -1.26 -0.48 118.95 134.64 5at1 s ARG 96 Ca -0.04 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 52.04 5at1 s ARG 96 Cb -0.01 -1.54 -0.10 0.00 0.06 0.00 0.00 34.95 33.37 5at1 s ARG 96 CO -0.05 0.41 1.68 -2.14 -2.50 0.00 0.00 175.30 172.69 5at1 s PRO 97 N -0.86 4.18 -0.07 5.12 0.02 -1.26 -4.86 135.00 137.27 5at1 s PRO 97 Ca 0.08 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 5at1 s PRO 97 Cb -0.08 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 5at1 s PRO 97 CO 0.01 -0.73 -0.00 -1.12 -0.33 0.00 0.00 177.00 174.83 5at1 s SER 98 N 1.93 5.20 0.24 2.53 0.01 -1.26 -4.82 113.70 117.53 5at1 s SER 98 Ca 0.75 0.12 -0.31 0.00 1.31 0.00 0.00 55.95 57.81 5at1 s SER 98 Cb -0.44 -1.44 -0.11 0.00 0.21 0.00 0.00 66.02 64.24 5at1 s SER 98 CO 0.33 0.36 1.63 -0.22 0.41 0.00 0.00 173.24 175.75 5at1 s LEU 99 N -0.98 4.36 0.64 2.44 2.96 -1.26 -4.33 118.68 122.51 5at1 s LEU 99 Ca 0.14 2.85 -0.05 0.00 -0.22 0.00 0.00 54.13 56.86 5at1 s LEU 99 Cb -0.11 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.00 5at1 s LEU 99 CO 0.03 -0.91 0.93 -2.16 -1.32 0.00 0.00 176.35 172.93 5at1 s PRO 100 N 0.37 2.49 0.08 0.98 0.04 -1.26 -4.99 135.00 132.71 5at1 s PRO 100 Ca 0.68 -0.27 0.27 0.00 0.04 0.00 0.00 61.00 61.72 5at1 s PRO 100 Cb -0.48 -2.26 0.89 0.00 0.04 0.00 0.00 34.50 32.69 5at1 s PRO 100 CO 0.39 -0.97 1.73 0.39 0.04 0.00 0.00 177.00 178.59 5at1 n GLU 101 N -2.70 0.12 -3.75 4.56 1.02 -1.26 -4.64 120.64 113.99 5at1 n GLU 101 Ca 0.07 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 5at1 n GLU 101 Cb 0.59 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 5at1 n GLU 101 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 5at1 s ARG 102 N -3.05 0.50 -0.17 3.49 3.52 -1.26 -1.44 118.95 120.54 5at1 s ARG 102 Ca 0.12 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 5at1 s ARG 102 Cb 0.16 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 5at1 s ARG 102 CO 0.60 -0.10 -0.11 0.42 -0.81 0.00 0.00 175.30 175.30 5at1 s ILE 103 N -0.32 1.52 0.30 4.11 1.01 -0.02 -4.94 121.20 122.86 5at1 s ILE 103 Ca -0.05 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.93 5at1 s ILE 103 Cb -0.03 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 5at1 s ILE 103 CO 0.02 0.31 0.25 -1.81 0.00 0.00 0.00 174.94 173.71 5at1 s ASP 104 N 1.48 5.39 0.00 3.58 1.01 -1.26 -1.48 116.67 125.39 5at1 s ASP 104 Ca 0.02 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.90 5at1 s ASP 104 Cb -0.14 -1.17 0.00 0.00 1.01 0.00 0.00 42.92 42.62 5at1 s ASP 104 CO -0.09 -0.21 0.00 0.59 0.21 0.00 0.00 175.17 175.67 5at1 n ASN 105 N -1.28 0.00 0.08 0.27 3.02 0.21 -4.54 115.26 113.02 5at1 n ASN 105 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.48 5at1 n ASN 105 Cb 0.59 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 5at1 n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 5at1 h VAL 106 N 0.00 1.05 -2.81 2.41 2.07 -1.88 -3.43 116.25 113.66 5at1 h VAL 106 Ca 0.00 -2.60 -0.46 0.00 0.82 0.00 0.00 66.70 64.47 5at1 h VAL 106 Cb 0.00 2.47 0.09 0.00 -1.52 0.00 0.00 31.29 32.34 5at1 h VAL 106 CO 0.00 0.60 0.17 -0.76 0.02 0.00 0.00 177.57 177.59 5at1 s LEU 107 N -6.36 2.94 0.02 2.57 1.43 -1.26 -5.10 118.68 112.91 5at1 s LEU 107 Ca 0.01 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 5at1 s LEU 107 Cb 0.09 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 5at1 s LEU 107 CO 0.79 -1.88 -0.19 -0.69 0.23 0.00 0.00 176.35 174.61 5at1 s VAL 108 N -3.25 1.52 -0.12 -1.59 1.01 -1.26 -4.76 120.40 111.95 5at1 s VAL 108 Ca 0.65 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 5at1 s VAL 108 Cb -0.07 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 5at1 s VAL 108 CO 0.45 0.28 1.05 0.00 0.00 0.00 0.00 175.10 176.89 5at1 n PRO 110 N 5.33 0.04 -2.80 0.00 -0.02 -1.26 -4.58 135.00 131.71 5at1 n PRO 110 Ca 0.10 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 5at1 n PRO 110 Cb 0.48 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 5at1 n PRO 110 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 5at1 s ASN 111 N -3.26 6.37 0.61 2.55 3.84 -1.26 -4.91 114.94 118.88 5at1 s ASN 111 Ca 0.03 -0.23 0.32 0.00 0.21 0.00 0.00 52.86 53.19 5at1 s ASN 111 Cb 0.06 -2.45 1.84 0.00 -0.55 0.00 0.00 41.25 40.15 5at1 s ASN 111 CO 0.18 -1.24 2.17 0.77 -2.79 0.00 0.00 177.10 176.20 5at1 h SER 112 N 9.31 0.00 -0.55 -4.21 4.64 -2.04 -2.31 113.55 118.40 5at1 h SER 112 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 5at1 h SER 112 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 5at1 h SER 112 CO 1.09 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.85 5at1 n ASN 113 N -3.59 3.29 -4.76 4.97 5.15 -1.26 -4.85 115.26 114.21 5at1 n ASN 113 Ca -0.01 -2.12 -0.39 0.00 -0.60 0.00 0.00 54.58 51.47 5at1 n ASN 113 Cb 0.23 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 39.00 5at1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 5at1 n ILE 115 N 0.95 1.02 0.28 0.00 0.13 -1.26 -3.27 119.36 117.21 5at1 n ILE 115 Ca 0.00 0.25 0.15 0.00 -1.10 0.00 0.00 62.75 62.05 5at1 n ILE 115 Cb 0.48 -1.04 0.85 0.00 -0.84 0.00 0.00 39.64 39.09 5at1 n ILE 115 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 5at1 h SER 116 N 0.00 0.00 0.51 9.51 4.64 -1.93 -3.24 113.55 123.04 5at1 h SER 116 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 5at1 h SER 116 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 5at1 h SER 116 CO 0.00 0.05 -0.10 0.45 -0.87 0.00 0.00 176.83 176.36 5at1 h HIS 117 N 0.00 0.00 0.00 4.77 3.86 -1.90 -3.27 115.15 118.60 5at1 h HIS 117 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5at1 h HIS 117 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 5at1 h HIS 117 CO 0.00 0.10 -0.75 0.00 0.86 0.00 0.00 177.93 178.15 5at1 n ALA 118 N -2.22 2.45 -2.75 2.45 0.00 -1.22 -5.08 120.51 114.14 5at1 n ALA 118 Ca -0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 5at1 n ALA 118 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 5at1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 5at1 s GLU 119 N -1.94 3.03 -0.53 0.00 0.41 -1.24 -4.98 118.70 113.45 5at1 s GLU 119 Ca 0.00 -1.03 -0.26 0.00 -0.41 0.00 0.00 54.97 53.27 5at1 s GLU 119 Cb 0.04 -2.65 -0.24 0.00 -1.78 0.00 0.00 34.13 29.50 5at1 s GLU 119 CO 0.22 0.30 1.81 -0.35 -0.49 0.00 0.00 175.26 176.76 5at1 n PRO 120 N -1.33 0.88 -3.76 0.39 -0.04 -1.26 -4.84 135.00 125.04 5at1 n PRO 120 Ca -0.06 -1.57 -0.13 0.00 -0.04 0.00 0.00 63.50 61.70 5at1 n PRO 120 Cb 0.58 -2.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.03 5at1 n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 5at1 s VAL 121 N 6.83 -0.03 -0.05 0.52 0.11 -1.26 -5.11 120.40 121.41 5at1 s VAL 121 Ca 0.64 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.52 5at1 s VAL 121 Cb 0.13 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 5at1 s VAL 121 CO 0.21 0.04 0.85 -0.44 -3.33 0.00 0.00 175.10 172.43 5at1 s SER 122 N 0.83 7.16 0.49 3.54 0.01 -1.26 -5.00 113.70 119.46 5at1 s SER 122 Ca -0.06 1.40 -0.23 0.00 1.31 0.00 0.00 55.95 58.37 5at1 s SER 122 Cb -0.07 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 5at1 s SER 122 CO -0.05 -0.23 1.27 -1.20 0.41 0.00 0.00 173.24 173.44 5at1 n SER 123 N 4.08 2.40 -3.73 2.44 7.64 -1.26 -4.82 113.62 120.38 5at1 n SER 123 Ca 0.03 1.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.81 5at1 n SER 123 Cb 0.51 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.06 5at1 n SER 123 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 5at1 s SER 124 N -0.74 -0.26 0.00 6.43 0.15 -1.26 -0.62 113.70 117.40 5at1 s SER 124 Ca 0.66 0.53 0.04 0.00 0.70 0.00 0.00 55.95 57.89 5at1 s SER 124 Cb -0.46 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 5at1 s SER 124 CO 0.54 -0.17 -0.13 -0.36 1.20 0.00 0.00 173.24 174.32 5at1 s PHE 125 N 1.28 1.14 -0.18 3.44 0.40 -0.55 -1.69 117.98 121.82 5at1 s PHE 125 Ca -0.09 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 5at1 s PHE 125 Cb -0.10 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.66 5at1 s PHE 125 CO -0.09 -0.01 0.16 0.00 0.70 0.00 0.00 175.22 175.98 5at1 s ALA 126 N -0.43 3.71 -0.14 5.36 0.00 0.05 -0.84 121.76 129.47 5at1 s ALA 126 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 5at1 s ALA 126 Cb -0.06 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 5at1 s ALA 126 CO -0.00 0.23 0.58 0.08 0.00 0.00 0.00 175.76 176.65 5at1 s VAL 127 N 0.12 5.09 -0.06 0.00 1.01 -0.52 -0.96 120.40 125.08 5at1 s VAL 127 Ca 0.11 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 5at1 s VAL 127 Cb -0.12 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.38 5at1 s VAL 127 CO 0.00 0.22 -0.00 -0.60 0.00 0.00 0.00 175.10 174.72 5at1 s ARG 128 N 1.19 0.56 -0.46 2.72 3.00 -0.67 -4.86 118.95 120.44 5at1 s ARG 128 Ca 0.29 0.09 -0.17 0.00 -1.00 0.00 0.00 55.73 54.94 5at1 s ARG 128 Cb -0.16 -0.87 0.04 0.00 0.00 0.00 0.00 34.95 33.97 5at1 s ARG 128 CO 0.12 -0.25 0.48 0.21 0.00 0.00 0.00 175.30 175.86 5at1 s LYS 129 N 1.72 3.07 -0.80 5.12 2.20 -1.26 0.50 119.74 130.29 5at1 s LYS 129 Ca 0.01 -0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 54.66 5at1 s LYS 129 Cb -0.13 -4.04 0.20 0.00 -1.51 0.00 0.00 37.83 32.35 5at1 s LYS 129 CO -0.04 -1.00 0.66 1.03 -0.36 0.00 0.00 175.35 175.64 5at1 s ARG 130 N 2.16 3.04 0.00 4.03 1.81 0.11 -4.94 118.95 125.16 5at1 s ARG 130 Ca 0.11 -3.02 0.00 0.00 -1.72 0.00 0.00 55.73 51.10 5at1 s ARG 130 Cb -0.19 -3.89 0.00 0.00 -0.45 0.00 0.00 34.95 30.42 5at1 s ARG 130 CO 0.11 -1.24 0.00 0.00 -0.68 0.00 0.00 175.30 173.50 5at1 n ALA 131 N 2.74 0.00 1.98 2.13 0.00 -1.26 -2.11 120.51 123.98 5at1 n ALA 131 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.76 5at1 n ALA 131 Cb 0.38 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.72 5at1 n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5at1 n ASN 132 N 0.20 0.06 -0.93 0.00 4.13 -1.26 -4.89 115.26 112.56 5at1 n ASN 132 Ca 0.00 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.19 5at1 n ASN 132 Cb 0.00 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 5at1 n ASN 132 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 5at1 n ASP 133 N -0.93 0.00 -4.33 6.41 5.68 -0.90 -5.15 116.55 117.33 5at1 n ASP 133 Ca 0.23 -0.93 -0.32 0.00 -0.50 0.00 0.00 54.79 53.27 5at1 n ASP 133 Cb 0.11 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.94 5at1 n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 5at1 s ILE 134 N -2.35 2.53 0.15 2.12 1.01 -1.26 0.05 121.20 123.46 5at1 s ILE 134 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 5at1 s ILE 134 Cb 0.00 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 5at1 s ILE 134 CO 0.00 0.56 0.45 0.00 0.00 0.00 0.00 174.94 175.95 5at1 s ALA 135 N -0.05 3.69 -0.11 9.38 0.00 0.18 -1.59 121.76 133.25 5at1 s ALA 135 Ca -0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 5at1 s ALA 135 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.71 5at1 s ALA 135 CO 0.04 0.58 -0.08 -0.51 0.00 0.00 0.00 175.76 175.79 5at1 s LEU 136 N -2.46 1.23 -0.23 0.00 1.43 0.92 -1.67 118.68 117.90 5at1 s LEU 136 Ca 0.41 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 5at1 s LEU 136 Cb -0.12 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 5at1 s LEU 136 CO 0.21 -0.11 -0.02 -0.75 0.23 0.00 0.00 176.35 175.92 5at1 s LYS 137 N 1.64 3.40 0.38 1.70 2.20 -0.13 -0.39 119.74 128.53 5at1 s LYS 137 Ca 0.04 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.76 5at1 s LYS 137 Cb -0.13 -3.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 5at1 s LYS 137 CO -0.08 -0.21 1.38 0.00 -0.36 0.00 0.00 175.35 176.08 5at1 h LYS 139 N 2.95 0.85 0.00 0.00 3.64 -1.70 -2.42 116.57 119.88 5at1 h LYS 139 Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 5at1 h LYS 139 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 5at1 h LYS 139 CO 0.64 0.56 -0.01 1.88 -2.27 0.00 0.00 179.45 180.25 5at1 h TYR 140 N 0.87 0.00 0.00 1.91 0.05 -1.92 -3.40 116.97 114.48 5at1 h TYR 140 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 5at1 h TYR 140 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 5at1 h TYR 140 CO -0.05 0.00 -0.36 0.00 -1.05 0.00 0.00 178.16 176.70 5at1 n GLU 142 N -1.53 -1.22 -2.77 0.00 1.02 -0.91 -4.97 120.64 110.26 5at1 n GLU 142 Ca 0.06 0.33 -0.39 0.00 -0.02 0.00 0.00 57.16 57.14 5at1 n GLU 142 Cb 0.34 -4.25 -0.06 0.00 -0.02 0.00 0.00 31.44 27.45 5at1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 5at1 s LYS 143 N -1.28 4.73 -0.04 3.49 -0.14 -1.26 -4.68 119.74 120.55 5at1 s LYS 143 Ca 0.00 1.41 -0.10 0.00 -1.36 0.00 0.00 55.97 55.92 5at1 s LYS 143 Cb 0.00 -3.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 5at1 s LYS 143 CO 0.00 0.41 0.28 -2.00 -0.76 0.00 0.00 175.35 173.28 5at1 s GLU 144 N -1.58 3.67 0.03 1.68 2.12 -1.26 -2.48 118.70 120.86 5at1 s GLU 144 Ca 0.45 0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.90 5at1 s GLU 144 Cb -0.23 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 5at1 s GLU 144 CO 0.28 0.71 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.58 5at1 s PHE 145 N -1.12 0.57 0.13 5.30 0.40 0.47 -4.94 117.98 118.79 5at1 s PHE 145 Ca 0.22 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 55.87 5at1 s PHE 145 Cb -0.14 -0.35 -0.08 0.00 0.51 0.00 0.00 43.02 42.96 5at1 s PHE 145 CO 0.11 -0.06 1.41 0.45 0.70 0.00 0.00 175.22 177.82 5at1 s SER 146 N -1.09 6.79 0.63 1.36 0.15 -1.26 -0.05 113.70 120.23 5at1 s SER 146 Ca -0.06 2.37 0.26 0.00 0.70 0.00 0.00 55.95 59.22 5at1 s SER 146 Cb -0.07 -2.59 1.35 0.00 -1.71 0.00 0.00 66.02 62.99 5at1 s SER 146 CO 0.00 -0.67 1.77 1.12 1.20 0.00 0.00 173.24 176.65 5at1 h HIS 147 N 6.73 0.00 -0.19 3.44 2.07 -1.63 0.29 115.15 125.86 5at1 h HIS 147 Ca -0.42 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.11 5at1 h HIS 147 Cb 1.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.17 5at1 h HIS 147 CO 0.65 0.00 0.08 -0.91 -3.07 0.00 0.00 177.93 174.69 5at1 h ASN 148 N 0.00 0.11 0.00 3.10 4.21 -1.89 0.36 115.58 121.48 5at1 h ASN 148 Ca 0.11 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.55 5at1 h ASN 148 Cb 1.15 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 5at1 h ASN 148 CO -0.00 0.09 -0.22 0.58 -1.29 0.00 0.00 177.43 176.59 5at1 h VAL 149 N 0.18 1.24 0.00 2.81 2.07 -0.80 -0.82 116.25 120.94 5at1 h VAL 149 Ca 0.08 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 5at1 h VAL 149 Cb 0.03 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 5at1 h VAL 149 CO -0.07 0.36 -0.24 0.58 0.02 0.00 0.00 177.57 178.22 5at1 h VAL 150 N 0.34 0.43 -0.01 2.57 2.07 -0.99 -3.16 116.25 117.50 5at1 h VAL 150 Ca 0.06 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.09 5at1 h VAL 150 Cb 0.58 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 5at1 h VAL 150 CO 0.04 0.23 -0.53 0.18 0.02 0.00 0.00 177.57 177.51 5at1 n LEU 151 N -3.19 1.86 -0.06 2.57 4.77 0.02 -3.67 117.00 119.30 5at1 n LEU 151 Ca 0.02 -0.70 0.02 0.00 -0.03 0.00 0.00 56.01 55.33 5at1 n LEU 151 Cb 0.59 -0.01 0.36 0.00 -2.33 0.00 0.00 43.42 42.03 5at1 n LEU 151 CO 0.36 0.35 1.15 0.00 -1.33 0.00 0.00 177.39 177.93 5at1 h ALA 152 N 3.77 1.60 0.00 -1.18 0.00 -1.11 -3.50 119.26 118.83 5at1 h ALA 152 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 5at1 h ALA 152 Cb 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.31 5at1 h ALA 152 CO 0.00 0.35 0.00 0.27 0.00 0.00 0.00 179.25 179.87