#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6at1 s VAL 9 N 0.00 5.12 0.00 1.61 -7.23 -1.26 -4.82 120.40 113.82 6at1 s VAL 9 Ca 0.00 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 6at1 s VAL 9 Cb 0.00 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.16 6at1 s VAL 9 CO 0.00 0.09 0.00 -1.84 -0.31 0.00 0.00 175.10 173.04 6at1 n GLU 10 N 5.45 0.00 -3.58 4.82 0.00 -1.26 -5.09 120.64 120.98 6at1 n GLU 10 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.93 6at1 n GLU 10 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.88 6at1 n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 6at1 s ALA 11 N -0.66 -1.50 0.00 -1.84 0.00 -1.26 -4.96 121.76 111.55 6at1 s ALA 11 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.97 6at1 s ALA 11 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 6at1 s ALA 11 CO 0.00 -0.37 0.00 0.44 0.00 0.00 0.00 175.76 175.83 6at1 n ILE 12 N 0.92 0.00 0.02 0.00 -0.00 -1.26 -5.09 119.36 113.95 6at1 n ILE 12 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.47 6at1 n ILE 12 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.14 6at1 n ILE 12 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 6at1 h LYS 13 N 0.00 -0.14 -4.92 6.28 3.64 -1.96 -3.42 116.57 116.05 6at1 h LYS 13 Ca 0.00 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.09 6at1 h LYS 13 Cb 0.00 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 31.69 6at1 h LYS 13 CO 0.00 0.29 -0.72 1.03 -2.27 0.00 0.00 179.45 177.78 6at1 s ARG 14 N -2.79 0.89 0.00 1.90 0.52 -1.26 -2.43 118.95 115.78 6at1 s ARG 14 Ca -0.11 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.83 6at1 s ARG 14 Cb -0.00 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.99 6at1 s ARG 14 CO 0.40 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.19 6at1 n GLY 15 N 0.25 0.83 3.35 -3.53 0.00 0.15 -0.77 105.19 105.46 6at1 n GLY 15 Ca -0.14 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 6at1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6at1 s THR 16 N -1.86 3.07 -0.28 2.61 2.01 -0.27 -0.70 115.64 120.21 6at1 s THR 16 Ca 0.00 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 6at1 s THR 16 Cb 0.00 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 6at1 s THR 16 CO 0.00 0.51 0.14 -0.69 -0.69 0.00 0.00 174.62 173.88 6at1 s VAL 17 N 0.60 4.69 -0.39 3.82 1.01 0.21 -1.03 120.40 129.31 6at1 s VAL 17 Ca -0.07 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 6at1 s VAL 17 Cb -0.15 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.95 6at1 s VAL 17 CO 0.03 0.20 0.34 -0.63 0.00 0.00 0.00 175.10 175.05 6at1 s ILE 18 N 1.65 5.20 0.24 2.22 1.01 0.85 -1.10 121.20 131.27 6at1 s ILE 18 Ca 0.06 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.42 6at1 s ILE 18 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 6at1 s ILE 18 CO 0.07 -0.27 -0.09 -0.62 0.00 0.00 0.00 174.94 174.03 6at1 s ASP 19 N 1.73 4.17 -0.82 3.58 -1.08 -0.38 -1.12 116.67 122.76 6at1 s ASP 19 Ca 0.08 -0.74 -0.03 0.00 -0.52 0.00 0.00 52.55 51.35 6at1 s ASP 19 Cb -0.18 -0.65 0.00 0.00 -1.46 0.00 0.00 42.92 40.64 6at1 s ASP 19 CO 0.11 0.04 0.41 1.57 0.52 0.00 0.00 175.17 177.83 6at1 n HIS 20 N -0.53 -1.19 -2.66 -5.34 -0.00 -1.22 -0.80 115.22 103.47 6at1 n HIS 20 Ca -0.07 0.35 -0.42 0.00 0.46 0.00 0.00 57.72 58.04 6at1 n HIS 20 Cb 0.58 -2.98 -0.03 0.00 -0.12 0.00 0.00 29.99 27.44 6at1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 6at1 s ILE 21 N -2.95 4.56 0.84 3.57 1.01 -0.90 -4.27 121.20 123.07 6at1 s ILE 21 Ca 0.20 1.95 -0.12 0.00 0.00 0.00 0.00 60.65 62.68 6at1 s ILE 21 Cb -0.09 -4.25 0.10 0.00 0.01 0.00 0.00 42.46 38.24 6at1 s ILE 21 CO 0.25 0.21 1.17 -0.81 0.00 0.00 0.00 174.94 175.76 6at1 n PRO 22 N 3.44 -0.02 -1.65 2.79 -0.04 -1.26 -0.04 135.00 138.22 6at1 n PRO 22 Ca 0.05 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 6at1 n PRO 22 Cb 0.49 -2.41 0.03 0.00 -0.04 0.00 0.00 33.50 31.58 6at1 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6at1 n ALA 23 N -3.58 0.65 0.00 0.55 0.00 -1.25 -2.68 120.51 114.20 6at1 n ALA 23 Ca 0.13 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.72 6at1 n ALA 23 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 6at1 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 6at1 n GLN 24 N -0.42 0.00 0.08 0.00 1.13 -1.26 -4.77 117.38 112.14 6at1 n GLN 24 Ca 0.10 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.07 6at1 n GLN 24 Cb 0.43 -2.52 -0.02 0.00 0.11 0.00 0.00 30.24 28.23 6at1 n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 6at1 h ILE 25 N 0.00 1.51 -0.93 5.09 1.08 -1.88 -3.30 117.51 119.07 6at1 h ILE 25 Ca 0.00 -2.70 0.28 0.00 -0.39 0.00 0.00 64.86 62.05 6at1 h ILE 25 Cb 0.00 2.52 -0.15 0.00 -3.07 0.00 0.00 36.82 36.12 6at1 h ILE 25 CO 0.00 0.79 0.34 1.23 -0.69 0.00 0.00 178.15 179.81 6at1 h GLY 26 N 1.92 1.62 1.86 5.37 0.00 -1.86 0.20 103.07 112.18 6at1 h GLY 26 Ca -0.05 -0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 6at1 h GLY 26 CO 0.14 -0.45 -0.85 -2.75 0.00 0.00 0.00 176.54 172.63 6at1 h PHE 27 N 0.21 0.19 0.21 5.60 3.57 -1.95 -2.45 116.94 122.32 6at1 h PHE 27 Ca 0.63 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 6at1 h PHE 27 Cb 1.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.09 6at1 h PHE 27 CO -0.19 0.91 -0.10 0.87 -2.23 0.00 0.00 178.31 177.57 6at1 h LYS 28 N 0.07 -0.27 -0.45 1.11 1.57 -0.84 -1.82 116.57 115.94 6at1 h LYS 28 Ca -0.03 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 6at1 h LYS 28 Cb 1.48 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.79 6at1 h LYS 28 CO 0.12 -0.14 0.12 -0.07 -0.57 0.00 0.00 179.45 178.92 6at1 h LEU 29 N -0.33 0.08 -0.49 2.94 3.38 -0.97 0.28 115.31 120.20 6at1 h LEU 29 Ca -0.03 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.10 6at1 h LEU 29 Cb 0.25 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 6at1 h LEU 29 CO 0.05 0.08 0.06 -0.07 0.09 0.00 0.00 178.44 178.64 6at1 h LEU 30 N 0.27 -0.08 0.21 1.67 3.38 -1.19 -0.61 115.31 118.96 6at1 h LEU 30 Ca 0.22 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 6at1 h LEU 30 Cb 0.25 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 6at1 h LEU 30 CO -0.26 -0.01 -0.10 0.28 0.09 0.00 0.00 178.44 178.44 6at1 h SER 31 N 0.18 -0.24 -0.82 -0.43 0.02 -0.45 -1.48 113.55 110.34 6at1 h SER 31 Ca 0.25 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.38 6at1 h SER 31 Cb 0.35 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.84 6at1 h SER 31 CO -0.36 -0.12 0.32 -0.07 -1.14 0.00 0.00 176.83 175.46 6at1 h LEU 32 N -0.39 0.25 -2.38 5.07 3.38 -0.44 -1.56 115.31 119.23 6at1 h LEU 32 Ca -0.03 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.08 6at1 h LEU 32 Cb 0.22 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 6at1 h LEU 32 CO 0.05 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.10 6at1 n PHE 33 N -5.05 0.70 -4.08 1.13 3.72 -0.24 -4.93 117.46 108.71 6at1 n PHE 33 Ca 0.18 -0.35 -0.29 0.00 -0.05 0.00 0.00 57.45 56.94 6at1 n PHE 33 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 6at1 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 6at1 n LYS 34 N 1.47 -2.96 0.04 -1.08 5.02 -0.59 -4.89 118.16 115.18 6at1 n LYS 34 Ca 0.21 0.35 0.11 0.00 -2.02 0.00 0.00 58.31 56.96 6at1 n LYS 34 Cb 0.59 -4.58 0.44 0.00 -0.02 0.00 0.00 35.03 31.46 6at1 n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 6at1 n LEU 35 N -4.42 0.27 0.18 -0.35 4.77 -0.60 -2.97 117.00 113.88 6at1 n LEU 35 Ca -0.20 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 6at1 n LEU 35 Cb 0.63 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.44 6at1 n LEU 35 CO 0.80 -0.24 0.62 0.71 -1.33 0.00 0.00 177.39 177.95 6at1 h THR 36 N 0.00 0.71 -0.72 -5.08 1.35 -1.90 -3.39 112.91 103.88 6at1 h THR 36 Ca 0.00 -1.71 -0.73 0.00 -0.55 0.00 0.00 66.41 63.42 6at1 h THR 36 Cb 0.41 2.13 -0.10 0.00 -1.73 0.00 0.00 68.15 68.87 6at1 h THR 36 CO 0.00 0.36 2.59 -0.62 -0.25 0.00 0.00 175.52 177.60 6at1 n GLU 37 N -3.31 3.32 -3.64 4.72 1.02 -1.16 -4.70 120.64 116.90 6at1 n GLU 37 Ca 0.01 -3.07 -0.06 0.00 -0.02 0.00 0.00 57.16 54.02 6at1 n GLU 37 Cb 0.60 -3.07 -0.07 0.00 -0.02 0.00 0.00 31.44 28.88 6at1 n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 6at1 s THR 38 N 1.62 0.00 -0.85 2.62 -1.32 -1.26 -5.07 115.64 111.38 6at1 s THR 38 Ca 0.44 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.82 6at1 s THR 38 Cb 0.12 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.33 6at1 s THR 38 CO -0.04 0.00 0.78 -0.62 -2.21 0.00 0.00 174.62 172.53 6at1 s ASP 39 N 1.42 6.58 0.08 8.08 2.15 -1.26 -4.89 116.67 128.83 6at1 s ASP 39 Ca -0.09 -2.94 -0.15 0.00 0.43 0.00 0.00 52.55 49.80 6at1 s ASP 39 Cb -0.05 -2.14 0.03 0.00 -0.30 0.00 0.00 42.92 40.46 6at1 s ASP 39 CO -0.17 -0.47 0.35 -1.10 -0.17 0.00 0.00 175.17 173.62 6at1 s GLN 40 N -0.22 0.93 -0.63 4.34 -1.52 -1.26 -5.12 119.66 116.17 6at1 s GLN 40 Ca 0.21 -0.60 -0.26 0.00 -1.95 0.00 0.00 55.36 52.76 6at1 s GLN 40 Cb -0.11 0.41 -0.03 0.00 -0.22 0.00 0.00 33.01 33.05 6at1 s GLN 40 CO -0.08 -0.33 1.93 0.50 -0.25 0.00 0.00 175.29 177.06 6at1 s ARG 41 N -3.13 2.56 -0.13 2.91 6.06 -1.26 -4.86 118.95 121.10 6at1 s ARG 41 Ca -0.01 0.60 -0.05 0.00 -2.50 0.00 0.00 55.73 53.77 6at1 s ARG 41 Cb 0.01 -4.47 -0.04 0.00 0.06 0.00 0.00 34.95 30.51 6at1 s ARG 41 CO -0.07 -2.87 0.04 0.42 -2.50 0.00 0.00 175.30 170.33 6at1 s ILE 42 N 9.53 4.64 -0.08 4.11 1.01 -1.26 -1.88 121.20 137.27 6at1 s ILE 42 Ca 0.70 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 61.29 6at1 s ILE 42 Cb -0.12 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 6at1 s ILE 42 CO 0.19 0.55 -0.23 0.42 0.00 0.00 0.00 174.94 175.87 6at1 s THR 43 N -0.39 2.15 0.07 2.92 -4.23 -0.74 -4.94 115.64 110.47 6at1 s THR 43 Ca 0.09 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.67 6at1 s THR 43 Cb -0.12 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 6at1 s THR 43 CO 0.02 0.56 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.80 6at1 s ILE 44 N 0.12 1.88 -0.14 2.99 1.09 -1.26 -0.22 121.20 125.66 6at1 s ILE 44 Ca -0.12 -1.42 -0.01 0.00 -1.10 0.00 0.00 60.65 58.00 6at1 s ILE 44 Cb -0.16 -1.65 0.04 0.00 -1.06 0.00 0.00 42.46 39.63 6at1 s ILE 44 CO 0.06 0.16 -0.02 -0.83 -0.10 0.00 0.00 174.94 174.21 6at1 s GLY 45 N -1.52 0.76 -0.00 6.18 0.00 -0.16 -4.99 107.32 107.59 6at1 s GLY 45 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.23 6at1 s GLY 45 CO 0.03 1.09 0.05 1.08 0.00 0.00 0.00 173.10 175.35 6at1 s LEU 46 N 1.78 3.73 -1.23 0.66 1.43 -1.26 -1.62 118.68 122.17 6at1 s LEU 46 Ca 0.02 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 6at1 s LEU 46 Cb -0.15 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.92 6at1 s LEU 46 CO -0.07 0.28 1.07 0.59 0.23 0.00 0.00 176.35 178.45 6at1 n ASN 47 N 1.27 -5.51 -4.76 2.29 3.02 -1.05 -4.97 115.26 105.54 6at1 n ASN 47 Ca -0.14 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.50 6at1 n ASN 47 Cb 0.53 -4.70 -0.03 0.00 -0.61 0.00 0.00 39.78 34.97 6at1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 6at1 s LEU 48 N -6.71 4.47 0.00 3.41 1.43 0.60 -4.80 118.68 117.09 6at1 s LEU 48 Ca 0.47 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 6at1 s LEU 48 Cb -0.21 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.38 6at1 s LEU 48 CO 0.67 -0.38 0.33 -0.81 0.23 0.00 0.00 176.35 176.39 6at1 n PRO 49 N 1.11 0.00 -3.00 1.29 -0.04 -1.26 -0.36 135.00 132.74 6at1 n PRO 49 Ca 0.00 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 6at1 n PRO 49 Cb 0.43 -0.83 0.01 0.00 -0.04 0.00 0.00 33.50 33.07 6at1 n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 6at1 n SER 50 N -0.48 -7.25 0.17 3.54 2.88 -1.26 -3.14 113.62 108.08 6at1 n SER 50 Ca 0.00 0.69 0.18 0.00 -1.33 0.00 0.00 58.87 58.42 6at1 n SER 50 Cb 0.00 -3.87 0.80 0.00 -0.75 0.00 0.00 64.21 60.39 6at1 n SER 50 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 6at1 h GLY 51 N 2.73 0.00 1.76 0.46 0.00 -1.93 0.16 103.07 106.24 6at1 h GLY 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 6at1 h GLY 51 CO 0.13 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.85 6at1 n GLU 52 N -3.69 0.05 0.00 4.80 4.71 -1.26 -3.51 120.64 121.75 6at1 n GLU 52 Ca 0.04 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 6at1 n GLU 52 Cb 0.45 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 6at1 n GLU 52 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 6at1 n MET 53 N -1.38 0.00 0.00 3.49 2.81 -0.17 -5.05 117.12 116.81 6at1 n MET 53 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 6at1 n MET 53 Cb 0.05 -0.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 6at1 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 6at1 n GLY 54 N 1.94 3.39 3.38 3.03 0.00 0.37 -4.96 105.19 112.33 6at1 n GLY 54 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 6at1 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6at1 s ARG 55 N 0.00 0.48 0.31 1.61 1.81 -1.19 -4.70 118.95 117.28 6at1 s ARG 55 Ca 0.00 0.93 0.04 0.00 -1.72 0.00 0.00 55.73 54.98 6at1 s ARG 55 Cb 0.00 0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 6at1 s ARG 55 CO 0.00 -0.16 0.17 -1.59 -0.68 0.00 0.00 175.30 173.04 6at1 s LYS 56 N 1.55 1.63 0.03 3.54 -2.85 0.52 -3.80 119.74 120.34 6at1 s LYS 56 Ca -0.09 -1.93 0.05 0.00 -1.00 0.00 0.00 55.97 52.99 6at1 s LYS 56 Cb -0.08 -0.08 -0.02 0.00 -2.06 0.00 0.00 37.83 35.59 6at1 s LYS 56 CO -0.15 -0.47 -0.14 -0.51 0.10 0.00 0.00 175.35 174.18 6at1 s ASP 57 N -3.39 1.63 -0.02 0.03 -0.00 0.95 -0.29 116.67 115.58 6at1 s ASP 57 Ca 0.35 -0.41 0.01 0.00 -0.00 0.00 0.00 52.55 52.50 6at1 s ASP 57 Cb 0.05 -0.12 0.01 0.00 -0.00 0.00 0.00 42.92 42.86 6at1 s ASP 57 CO 0.18 0.06 -0.05 -0.22 -0.00 0.00 0.00 175.17 175.14 6at1 s LEU 58 N -0.98 1.62 -0.02 1.23 0.20 -0.64 -2.11 118.68 117.99 6at1 s LEU 58 Ca 0.02 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 54.79 6at1 s LEU 58 Cb -0.07 -0.38 -0.02 0.00 -0.43 0.00 0.00 46.19 45.30 6at1 s LEU 58 CO 0.01 0.00 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.23 6at1 s ILE 59 N 0.44 1.70 -0.20 6.68 1.01 -0.27 -0.98 121.20 129.58 6at1 s ILE 59 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.69 6at1 s ILE 59 Cb -0.09 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.99 6at1 s ILE 59 CO -0.00 0.48 -0.16 -0.54 0.00 0.00 0.00 174.94 174.72 6at1 s LYS 60 N -0.46 2.66 -0.30 2.79 1.02 0.70 -0.11 119.74 126.04 6at1 s LYS 60 Ca 0.07 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 6at1 s LYS 60 Cb -0.09 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 6at1 s LYS 60 CO -0.00 -0.33 0.09 0.42 -0.92 0.00 0.00 175.35 174.61 6at1 s ILE 61 N 1.26 3.97 0.09 2.17 1.01 -0.20 -1.79 121.20 127.72 6at1 s ILE 61 Ca 0.01 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 6at1 s ILE 61 Cb -0.15 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 6at1 s ILE 61 CO -0.10 0.04 0.85 -0.70 0.00 0.00 0.00 174.94 175.03 6at1 s GLU 62 N 1.49 4.60 -1.26 2.79 2.12 -0.79 -1.12 118.70 126.53 6at1 s GLU 62 Ca 0.02 1.25 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 6at1 s GLU 62 Cb -0.18 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.87 6at1 s GLU 62 CO 0.03 0.28 1.10 0.09 -0.54 0.00 0.00 175.26 176.22 6at1 n ASN 63 N 2.66 -6.09 -3.82 -1.70 3.02 0.05 -4.32 115.26 105.06 6at1 n ASN 63 Ca -0.01 -0.50 -0.13 0.00 -0.03 0.00 0.00 54.58 53.91 6at1 n ASN 63 Cb 0.50 -4.72 -0.14 0.00 -0.61 0.00 0.00 39.78 34.81 6at1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 6at1 s THR 64 N -3.30 -0.02 -0.11 3.41 2.01 -1.25 -4.89 115.64 111.50 6at1 s THR 64 Ca 0.55 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.62 6at1 s THR 64 Cb -0.24 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.15 6at1 s THR 64 CO 0.68 0.03 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.14 6at1 s PHE 65 N 0.40 1.81 -0.53 4.92 0.40 -1.26 -1.92 117.98 121.80 6at1 s PHE 65 Ca -0.03 -0.85 -0.29 0.00 -0.60 0.00 0.00 56.93 55.16 6at1 s PHE 65 Cb -0.04 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.17 6at1 s PHE 65 CO -0.01 -0.47 1.19 -0.51 0.70 0.00 0.00 175.22 176.11 6at1 s LEU 66 N 1.11 3.53 -0.20 -0.37 1.02 -1.26 -4.98 118.68 117.53 6at1 s LEU 66 Ca -0.05 0.29 -0.29 0.00 0.02 0.00 0.00 54.13 54.11 6at1 s LEU 66 Cb -0.14 -3.34 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 6at1 s LEU 66 CO -0.03 -1.39 1.88 -0.44 0.02 0.00 0.00 176.35 176.39 6at1 s SER 67 N 2.84 6.02 0.00 2.29 0.01 -1.26 -4.76 113.70 118.84 6at1 s SER 67 Ca 0.46 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.52 6at1 s SER 67 Cb -0.08 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.63 6at1 s SER 67 CO 0.28 -1.53 0.00 -0.62 0.41 0.00 0.00 173.24 171.79 6at1 n GLU 68 N 8.12 0.00 -0.06 12.44 4.71 -1.26 -0.41 120.64 144.19 6at1 n GLU 68 Ca 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.35 6at1 n GLU 68 Cb 0.45 0.00 0.20 0.00 -1.01 0.00 0.00 31.44 31.08 6at1 n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 6at1 h ASP 69 N 0.00 0.64 -0.92 1.62 2.03 -1.98 -2.32 116.42 115.48 6at1 h ASP 69 Ca 0.00 -0.16 0.11 0.00 -0.73 0.00 0.00 57.03 56.26 6at1 h ASP 69 Cb 0.00 -0.17 -0.07 0.00 -0.83 0.00 0.00 39.33 38.26 6at1 h ASP 69 CO 0.00 0.74 0.59 1.56 -1.03 0.00 0.00 179.24 181.10 6at1 h GLN 70 N 0.62 0.85 0.04 4.15 4.20 -1.06 -0.70 115.11 123.21 6at1 h GLN 70 Ca 0.12 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 6at1 h GLN 70 Cb 0.46 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.05 6at1 h GLN 70 CO 0.02 0.56 -0.02 0.28 -0.67 0.00 0.00 178.83 179.00 6at1 h VAL 71 N 0.87 1.19 0.00 -0.54 2.07 -1.62 -2.93 116.25 115.29 6at1 h VAL 71 Ca 0.44 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 6at1 h VAL 71 Cb 0.49 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 6at1 h VAL 71 CO -0.20 0.19 -0.01 0.44 0.02 0.00 0.00 177.57 178.01 6at1 h ASP 72 N -0.39 0.00 0.95 0.57 5.19 -0.68 -0.94 116.42 121.12 6at1 h ASP 72 Ca -0.01 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 6at1 h ASP 72 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 6at1 h ASP 72 CO 0.01 0.01 -0.33 1.56 -3.12 0.00 0.00 179.24 177.36 6at1 h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -0.99 -2.82 115.11 115.94 6at1 h GLN 73 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 6at1 h GLN 73 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 6at1 h GLN 73 CO 0.00 0.33 0.00 1.28 -0.95 0.00 0.00 178.83 179.49 6at1 n LEU 74 N -3.45 0.52 -0.35 1.46 4.77 -0.36 -2.92 117.00 116.67 6at1 n LEU 74 Ca 0.00 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.73 6at1 n LEU 74 Cb 0.50 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 41.25 6at1 n LEU 74 CO 0.36 -0.59 1.21 0.00 -1.33 0.00 0.00 177.39 177.04 6at1 h ALA 75 N 2.23 1.56 0.00 -1.18 0.00 -1.60 -1.23 119.26 119.05 6at1 h ALA 75 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 6at1 h ALA 75 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 6at1 h ALA 75 CO 0.00 0.10 -0.07 1.25 0.00 0.00 0.00 179.25 180.53 6at1 h LEU 76 N 0.88 0.00 0.00 0.00 5.85 -1.78 -3.32 115.31 116.95 6at1 h LEU 76 Ca 0.53 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.14 6at1 h LEU 76 Cb 0.66 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 6at1 h LEU 76 CO -0.32 0.07 -1.17 -1.22 -0.34 0.00 0.00 178.44 175.46 6at1 n TYR 77 N -3.20 0.00 -3.47 1.25 4.01 -0.49 -4.83 117.16 110.43 6at1 n TYR 77 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 6at1 n TYR 77 Cb 0.34 -0.28 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 6at1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 6at1 n ALA 78 N -3.52 3.76 0.25 -0.72 0.00 -1.03 -4.96 120.51 114.30 6at1 n ALA 78 Ca -0.14 -4.55 0.10 0.00 0.00 0.00 0.00 53.44 48.86 6at1 n ALA 78 Cb 0.50 -0.91 0.64 0.00 0.00 0.00 0.00 19.45 19.68 6at1 n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 6at1 h PRO 79 N 4.38 0.00 -2.29 0.00 0.13 -1.69 -3.03 132.00 129.50 6at1 h PRO 79 Ca 0.18 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.58 6at1 h PRO 79 Cb 0.70 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.51 6at1 h PRO 79 CO 0.77 0.16 0.44 0.00 -0.23 0.00 0.00 178.00 179.13 6at1 n GLN 80 N -3.78 4.62 -4.86 0.86 -0.00 -1.26 -4.21 117.38 108.75 6at1 n GLN 80 Ca -0.02 -4.73 -0.30 0.00 -0.00 0.00 0.00 57.00 51.95 6at1 n GLN 80 Cb 0.27 -2.39 -0.14 0.00 -0.00 0.00 0.00 30.24 27.97 6at1 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 6at1 s ALA 81 N -3.95 2.34 -0.28 2.61 0.00 -1.15 -4.72 121.76 116.61 6at1 s ALA 81 Ca 0.42 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 6at1 s ALA 81 Cb 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 6at1 s ALA 81 CO -0.12 0.54 0.11 0.99 0.00 0.00 0.00 175.76 177.28 6at1 s THR 82 N -0.83 4.46 -0.02 0.00 2.01 0.02 -4.07 115.64 117.22 6at1 s THR 82 Ca 0.12 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 6at1 s THR 82 Cb -0.10 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 6at1 s THR 82 CO 0.03 0.22 0.71 -0.69 -0.69 0.00 0.00 174.62 174.19 6at1 s VAL 83 N 1.62 4.91 -0.18 3.82 1.01 -0.29 -1.25 120.40 130.04 6at1 s VAL 83 Ca 0.06 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.52 6at1 s VAL 83 Cb -0.16 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.21 6at1 s VAL 83 CO 0.05 0.32 -0.11 0.20 0.00 0.00 0.00 175.10 175.56 6at1 s ASN 84 N 0.32 3.10 0.10 3.32 0.01 -0.26 0.07 114.94 121.60 6at1 s ASN 84 Ca 0.37 -0.73 -0.31 0.00 -0.71 0.00 0.00 52.86 51.48 6at1 s ASN 84 Cb -0.19 -1.17 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 6at1 s ASN 84 CO 0.20 -0.12 1.25 -0.13 -1.51 0.00 0.00 177.10 176.79 6at1 s ARG 85 N 1.46 4.41 -0.32 -0.60 1.81 0.53 -0.62 118.95 125.62 6at1 s ARG 85 Ca 0.01 1.87 0.02 0.00 -1.72 0.00 0.00 55.73 55.91 6at1 s ARG 85 Cb -0.15 -3.30 0.10 0.00 -0.45 0.00 0.00 34.95 31.15 6at1 s ARG 85 CO -0.09 -0.28 0.05 0.42 -0.68 0.00 0.00 175.30 174.73 6at1 s ILE 86 N 0.87 1.70 -1.86 1.52 1.09 0.12 -0.40 121.20 124.25 6at1 s ILE 86 Ca 0.59 -1.89 0.18 0.00 -1.10 0.00 0.00 60.65 58.44 6at1 s ILE 86 Cb -0.32 -2.23 0.38 0.00 -1.06 0.00 0.00 42.46 39.23 6at1 s ILE 86 CO 0.31 -0.57 1.30 -0.90 -0.10 0.00 0.00 174.94 174.98 6at1 n ASP 87 N 4.51 3.19 -3.65 3.58 5.68 -1.26 0.30 116.55 128.91 6at1 n ASP 87 Ca -0.00 -1.92 -0.02 0.00 -0.50 0.00 0.00 54.79 52.35 6at1 n ASP 87 Cb 0.42 -0.24 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 6at1 n ASP 87 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 6at1 s ASN 88 N -1.21 -0.04 0.00 -1.12 3.84 -1.17 -4.80 114.94 110.44 6at1 s ASN 88 Ca 0.33 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.45 6at1 s ASN 88 Cb 0.19 0.05 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 6at1 s ASN 88 CO 0.25 -0.02 0.00 -1.22 -2.79 0.00 0.00 177.10 173.32 6at1 n TYR 89 N 0.98 0.00 -3.69 0.43 4.01 -1.02 -4.75 117.16 113.11 6at1 n TYR 89 Ca -0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.72 6at1 n TYR 89 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 6at1 n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 6at1 s GLU 90 N 0.00 0.30 -0.85 -0.72 2.56 -1.26 -5.01 118.70 113.73 6at1 s GLU 90 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.97 54.56 6at1 s GLU 90 Cb 0.00 0.10 -0.18 0.00 2.00 0.00 0.00 34.13 36.05 6at1 s GLU 90 CO 0.00 -0.14 2.28 0.28 -0.56 0.00 0.00 175.26 177.13 6at1 n VAL 91 N -0.59 0.00 1.18 3.70 0.31 -1.26 -4.02 118.33 117.64 6at1 n VAL 91 Ca -0.06 -0.40 0.12 0.00 -0.01 0.00 0.00 64.34 64.00 6at1 n VAL 91 Cb 0.62 -1.72 0.29 0.00 -0.91 0.00 0.00 33.84 32.12 6at1 n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 6at1 n VAL 92 N 8.39 0.00 -3.64 2.52 3.14 0.47 -4.89 118.33 124.32 6at1 n VAL 92 Ca 0.46 -0.14 -0.05 0.00 -2.96 0.00 0.00 64.34 61.65 6at1 n VAL 92 Cb 0.41 0.55 -0.07 0.00 -1.06 0.00 0.00 33.84 33.67 6at1 n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 6at1 s GLY 93 N -2.54 -0.16 0.21 7.55 0.00 -1.20 -4.94 107.32 106.24 6at1 s GLY 93 Ca 0.22 2.87 0.08 0.00 0.00 0.00 0.00 44.72 47.90 6at1 s GLY 93 CO 0.55 2.33 -0.03 1.25 0.00 0.00 0.00 173.10 177.20 6at1 s LYS 94 N 1.05 2.27 0.03 2.90 2.20 -1.26 -0.35 119.74 126.58 6at1 s LYS 94 Ca -0.06 -1.25 -0.16 0.00 -0.36 0.00 0.00 55.97 54.15 6at1 s LYS 94 Cb -0.04 -2.24 0.03 0.00 -1.51 0.00 0.00 37.83 34.07 6at1 s LYS 94 CO -0.13 0.42 0.35 -1.12 -0.36 0.00 0.00 175.35 174.51 6at1 s SER 95 N -3.14 -0.20 0.03 1.43 0.01 0.11 -4.95 113.70 106.99 6at1 s SER 95 Ca 0.28 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.53 6at1 s SER 95 Cb -0.08 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 6at1 s SER 95 CO 0.18 -0.59 -0.08 -0.60 0.41 0.00 0.00 173.24 172.56 6at1 s ARG 96 N -2.19 0.55 0.08 12.44 3.52 -1.26 -1.14 118.95 130.95 6at1 s ARG 96 Ca -0.07 -0.62 -0.31 0.00 -0.13 0.00 0.00 55.73 54.59 6at1 s ARG 96 Cb -0.02 -0.40 -0.07 0.00 -1.56 0.00 0.00 34.95 32.90 6at1 s ARG 96 CO -0.01 0.09 1.37 -2.14 -0.81 0.00 0.00 175.30 173.80 6at1 s PRO 97 N -1.19 4.32 0.06 5.12 0.02 -1.26 -4.90 135.00 137.18 6at1 s PRO 97 Ca -0.06 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.00 6at1 s PRO 97 Cb -0.08 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 6at1 s PRO 97 CO 0.00 -0.45 0.04 -1.12 -0.33 0.00 0.00 177.00 175.14 6at1 s SER 98 N 1.31 5.32 0.18 2.53 0.01 -1.26 -4.84 113.70 116.95 6at1 s SER 98 Ca 0.64 -0.04 -0.32 0.00 1.31 0.00 0.00 55.95 57.54 6at1 s SER 98 Cb -0.35 -1.39 -0.11 0.00 0.21 0.00 0.00 66.02 64.39 6at1 s SER 98 CO 0.29 0.20 1.61 -0.22 0.41 0.00 0.00 173.24 175.54 6at1 s LEU 99 N -2.14 4.37 0.82 2.44 2.96 -1.26 -4.51 118.68 121.36 6at1 s LEU 99 Ca 0.26 2.70 -0.12 0.00 -0.22 0.00 0.00 54.13 56.74 6at1 s LEU 99 Cb -0.12 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.06 6at1 s LEU 99 CO 0.18 -0.87 1.18 -2.16 -1.32 0.00 0.00 176.35 173.36 6at1 s PRO 100 N 1.11 1.84 0.11 0.98 0.04 -1.24 -4.99 135.00 132.85 6at1 s PRO 100 Ca 0.71 0.13 0.25 0.00 0.04 0.00 0.00 61.00 62.13 6at1 s PRO 100 Cb -0.46 -1.93 0.48 0.00 0.04 0.00 0.00 34.50 32.63 6at1 s PRO 100 CO 0.32 -1.69 1.43 0.39 0.04 0.00 0.00 177.00 177.49 6at1 n GLU 101 N -3.38 0.23 -3.80 4.56 1.02 -1.26 -4.65 120.64 113.36 6at1 n GLU 101 Ca 0.08 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 6at1 n GLU 101 Cb 0.61 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 6at1 n GLU 101 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 6at1 s ARG 102 N -3.12 0.32 -0.19 3.49 3.52 -1.26 -1.77 118.95 119.93 6at1 s ARG 102 Ca 0.08 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 6at1 s ARG 102 Cb 0.14 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 6at1 s ARG 102 CO 0.69 -0.05 -0.19 0.42 -0.81 0.00 0.00 175.30 175.36 6at1 s ILE 103 N -0.17 2.07 0.20 4.11 1.01 -0.24 -4.95 121.20 123.23 6at1 s ILE 103 Ca -0.03 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.71 6at1 s ILE 103 Cb -0.03 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 6at1 s ILE 103 CO 0.01 0.49 -0.08 -1.81 0.00 0.00 0.00 174.94 173.55 6at1 s ASP 104 N 1.27 4.32 0.00 3.58 -0.00 -1.26 -1.16 116.67 123.42 6at1 s ASP 104 Ca 0.04 -0.59 0.00 0.00 -0.00 0.00 0.00 52.55 52.00 6at1 s ASP 104 Cb -0.14 -0.75 0.00 0.00 -0.00 0.00 0.00 42.92 42.03 6at1 s ASP 104 CO -0.12 0.08 0.00 0.59 -0.00 0.00 0.00 175.17 175.72 6at1 n ASN 105 N -0.14 0.00 0.03 0.27 3.02 0.61 -4.63 115.26 114.42 6at1 n ASN 105 Ca -0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.30 6at1 n ASN 105 Cb 0.56 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.59 6at1 n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 6at1 h VAL 106 N 0.00 1.04 -3.50 2.41 2.07 -1.88 -3.42 116.25 112.97 6at1 h VAL 106 Ca 0.00 -2.75 -0.35 0.00 0.82 0.00 0.00 66.70 64.42 6at1 h VAL 106 Cb 0.00 2.65 0.14 0.00 -1.52 0.00 0.00 31.29 32.56 6at1 h VAL 106 CO 0.00 0.76 0.34 0.18 0.02 0.00 0.00 177.57 178.87 6at1 n LEU 107 N -3.36 0.00 -3.96 2.57 4.77 -1.26 -5.09 117.00 110.67 6at1 n LEU 107 Ca -0.18 -1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 54.43 6at1 n LEU 107 Cb 1.04 -0.83 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 6at1 n LEU 107 CO 0.48 -1.29 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.14 6at1 s VAL 108 N -3.37 0.55 -0.11 4.08 1.01 -1.26 -4.80 120.40 116.50 6at1 s VAL 108 Ca 0.62 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 6at1 s VAL 108 Cb -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 6at1 s VAL 108 CO 0.43 0.18 1.29 0.00 0.00 0.00 0.00 175.10 177.00 6at1 h PRO 110 N 8.08 0.15 -6.31 0.00 0.11 -1.94 -3.41 132.00 128.68 6at1 h PRO 110 Ca -0.31 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 6at1 h PRO 110 Cb 1.13 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 6at1 h PRO 110 CO 0.94 0.10 1.23 1.21 -0.21 0.00 0.00 178.00 181.27 6at1 s ASN 111 N -6.07 5.96 0.19 -2.05 3.84 -1.26 -4.87 114.94 110.68 6at1 s ASN 111 Ca -0.06 1.11 -0.12 0.00 0.21 0.00 0.00 52.86 53.99 6at1 s ASN 111 Cb 0.20 -2.53 0.20 0.00 -0.55 0.00 0.00 41.25 38.57 6at1 s ASN 111 CO 0.75 -1.69 1.73 0.77 -2.79 0.00 0.00 177.10 175.86 6at1 h SER 112 N 12.48 0.07 -0.07 -4.21 4.64 -2.03 -2.49 113.55 121.94 6at1 h SER 112 Ca -0.32 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 6at1 h SER 112 Cb 1.15 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 6at1 h SER 112 CO 1.06 0.06 0.02 -3.20 -0.87 0.00 0.00 176.83 173.90 6at1 n ASN 113 N -5.08 1.89 -4.80 4.97 5.15 -1.26 -4.79 115.26 111.35 6at1 n ASN 113 Ca 0.06 -2.11 -0.35 0.00 -0.60 0.00 0.00 54.58 51.58 6at1 n ASN 113 Cb 0.24 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 38.91 6at1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 6at1 n ILE 115 N -0.20 0.26 0.25 0.00 0.13 -1.26 -3.76 119.36 114.77 6at1 n ILE 115 Ca 0.05 -0.08 0.07 0.00 -1.10 0.00 0.00 62.75 61.69 6at1 n ILE 115 Cb 0.52 -0.56 0.60 0.00 -0.84 0.00 0.00 39.64 39.36 6at1 n ILE 115 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 6at1 h SER 116 N 0.00 0.01 -0.44 9.51 4.64 -1.92 -3.04 113.55 122.30 6at1 h SER 116 Ca 0.00 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 6at1 h SER 116 Cb 0.57 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 6at1 h SER 116 CO 0.00 0.05 0.29 0.45 -0.87 0.00 0.00 176.83 176.76 6at1 h HIS 117 N 0.01 0.45 -0.24 4.77 3.86 -1.91 -3.05 115.15 119.04 6at1 h HIS 117 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 6at1 h HIS 117 Cb 0.08 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.40 6at1 h HIS 117 CO 0.00 0.26 0.00 0.00 0.86 0.00 0.00 177.93 179.05 6at1 n ALA 118 N -2.49 2.34 -2.44 2.45 0.00 -1.15 -5.04 120.51 114.17 6at1 n ALA 118 Ca 0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.43 6at1 n ALA 118 Cb 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 6at1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 6at1 s GLU 119 N -1.07 0.91 0.00 0.00 0.41 -1.15 -5.04 118.70 112.77 6at1 s GLU 119 Ca 0.23 -1.22 -0.16 0.00 -0.41 0.00 0.00 54.97 53.41 6at1 s GLU 119 Cb 0.13 -0.61 -0.19 0.00 -1.78 0.00 0.00 34.13 31.68 6at1 s GLU 119 CO 0.18 0.10 1.22 -0.35 -0.49 0.00 0.00 175.26 175.92 6at1 n PRO 120 N 0.42 0.00 -3.69 0.39 -0.04 -1.26 -4.78 135.00 126.04 6at1 n PRO 120 Ca -0.15 -0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 62.47 6at1 n PRO 120 Cb 0.58 -2.15 -0.14 0.00 -0.04 0.00 0.00 33.50 31.75 6at1 n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 6at1 s VAL 121 N 5.72 -0.22 0.23 0.52 0.11 -1.26 -5.12 120.40 120.37 6at1 s VAL 121 Ca 0.35 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.34 6at1 s VAL 121 Cb 0.08 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.47 6at1 s VAL 121 CO 0.18 0.10 1.12 -0.44 -3.33 0.00 0.00 175.10 172.73 6at1 s SER 122 N 1.87 7.22 0.56 3.54 0.01 -1.26 -4.94 113.70 120.70 6at1 s SER 122 Ca -0.03 2.21 -0.19 0.00 1.31 0.00 0.00 55.95 59.25 6at1 s SER 122 Cb -0.11 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 6at1 s SER 122 CO -0.08 -0.22 1.17 -0.94 0.41 0.00 0.00 173.24 173.58 6at1 s SER 123 N -0.42 5.52 -0.18 2.44 1.04 -1.26 -4.79 113.70 116.05 6at1 s SER 123 Ca 0.48 2.29 -0.09 0.00 0.48 0.00 0.00 55.95 59.11 6at1 s SER 123 Cb -0.31 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.28 6at1 s SER 123 CO 0.38 -1.36 0.41 -0.55 0.98 0.00 0.00 173.24 173.11 6at1 s SER 124 N -1.65 -0.44 -0.03 7.02 0.15 -1.26 -0.28 113.70 117.21 6at1 s SER 124 Ca 0.74 0.92 0.04 0.00 0.70 0.00 0.00 55.95 58.35 6at1 s SER 124 Cb -0.27 0.92 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 6at1 s SER 124 CO 0.30 -0.20 -0.14 -0.36 1.20 0.00 0.00 173.24 174.04 6at1 s PHE 125 N 1.71 1.33 0.05 3.44 0.40 -0.31 -1.57 117.98 123.03 6at1 s PHE 125 Ca -0.08 -0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 55.66 6at1 s PHE 125 Cb -0.09 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 6at1 s PHE 125 CO -0.13 -0.10 0.83 0.00 0.70 0.00 0.00 175.22 176.52 6at1 s ALA 126 N -0.01 3.31 -0.08 5.36 0.00 -0.15 -1.08 121.76 129.12 6at1 s ALA 126 Ca -0.01 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 6at1 s ALA 126 Cb -0.09 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 6at1 s ALA 126 CO 0.01 -0.00 0.35 0.08 0.00 0.00 0.00 175.76 176.20 6at1 s VAL 127 N 0.13 5.19 -0.27 0.00 1.01 -0.73 -1.58 120.40 124.15 6at1 s VAL 127 Ca 0.42 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 6at1 s VAL 127 Cb -0.21 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.66 6at1 s VAL 127 CO 0.25 0.49 0.39 -0.60 0.00 0.00 0.00 175.10 175.63 6at1 s ARG 128 N -0.38 0.38 -0.52 2.72 3.52 -0.71 -4.90 118.95 119.06 6at1 s ARG 128 Ca 0.21 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.81 6at1 s ARG 128 Cb -0.15 -0.40 0.03 0.00 -1.56 0.00 0.00 34.95 32.87 6at1 s ARG 128 CO 0.09 -0.87 1.22 0.21 -0.81 0.00 0.00 175.30 175.14 6at1 s LYS 129 N 2.53 3.58 -0.06 5.12 2.20 -1.26 -0.31 119.74 131.55 6at1 s LYS 129 Ca 0.11 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 6at1 s LYS 129 Cb -0.14 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 6at1 s LYS 129 CO -0.24 -1.58 -0.12 1.03 -0.36 0.00 0.00 175.35 174.08 6at1 s ARG 130 N 4.82 1.58 1.34 4.03 1.81 0.12 -4.94 118.95 127.71 6at1 s ARG 130 Ca 0.48 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 6at1 s ARG 130 Cb -0.08 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 6at1 s ARG 130 CO 0.29 0.05 0.00 0.00 -0.68 0.00 0.00 175.30 174.95 6at1 n ALA 131 N 3.72 0.00 0.05 2.13 0.00 -1.26 -1.87 120.51 123.29 6at1 n ALA 131 Ca -0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.27 6at1 n ALA 131 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 6at1 n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 6at1 n ASN 132 N 2.31 2.52 0.00 0.00 4.13 -1.26 -5.04 115.26 117.92 6at1 n ASN 132 Ca 0.00 -1.80 0.00 0.00 1.68 0.00 0.00 54.58 54.46 6at1 n ASN 132 Cb 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 6at1 n ASN 132 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 6at1 n ASP 133 N 0.51 0.00 -4.02 6.41 5.75 -0.78 -5.15 116.55 119.26 6at1 n ASP 133 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.66 6at1 n ASP 133 Cb 0.36 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.30 6at1 n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 6at1 s ILE 134 N -1.72 0.89 -0.07 2.12 1.01 -1.26 0.13 121.20 122.31 6at1 s ILE 134 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 6at1 s ILE 134 Cb 0.00 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 6at1 s ILE 134 CO 0.00 0.27 0.14 0.00 0.00 0.00 0.00 174.94 175.36 6at1 s ALA 135 N 0.16 3.85 -0.12 9.38 0.00 0.58 -1.73 121.76 133.88 6at1 s ALA 135 Ca -0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 6at1 s ALA 135 Cb -0.09 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.19 6at1 s ALA 135 CO 0.01 0.67 -0.01 -0.51 0.00 0.00 0.00 175.76 175.92 6at1 s LEU 136 N -1.44 0.99 -0.22 0.00 1.43 -0.24 -1.73 118.68 117.48 6at1 s LEU 136 Ca 0.20 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 6at1 s LEU 136 Cb -0.12 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 6at1 s LEU 136 CO 0.10 -0.21 0.16 -0.75 0.23 0.00 0.00 176.35 175.89 6at1 s LYS 137 N 1.85 4.14 0.38 1.70 2.20 -0.62 -1.69 119.74 127.70 6at1 s LYS 137 Ca 0.03 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.17 6at1 s LYS 137 Cb -0.14 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 6at1 s LYS 137 CO -0.07 0.17 1.18 0.00 -0.36 0.00 0.00 175.35 176.27 6at1 h LYS 139 N 2.79 0.57 0.00 0.00 3.64 -1.66 -2.12 116.57 119.77 6at1 h LYS 139 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 6at1 h LYS 139 Cb 1.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 6at1 h LYS 139 CO 0.63 0.40 -0.22 1.88 -2.27 0.00 0.00 179.45 179.87 6at1 h TYR 140 N 0.57 0.00 -0.23 1.91 0.05 -1.92 -3.38 116.97 113.97 6at1 h TYR 140 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 6at1 h TYR 140 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 6at1 h TYR 140 CO -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.07 6at1 n GLU 142 N 0.22 -0.97 -2.94 0.00 1.02 -0.80 -4.92 120.64 112.26 6at1 n GLU 142 Ca 0.11 0.14 -0.40 0.00 -0.02 0.00 0.00 57.16 56.99 6at1 n GLU 142 Cb 0.24 -3.50 -0.06 0.00 -0.02 0.00 0.00 31.44 28.10 6at1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 6at1 s LYS 143 N -0.87 4.58 -0.17 3.49 -0.14 -1.26 -4.65 119.74 120.73 6at1 s LYS 143 Ca 0.00 1.18 -0.07 0.00 -1.36 0.00 0.00 55.97 55.73 6at1 s LYS 143 Cb 0.00 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 6at1 s LYS 143 CO 0.00 0.45 0.06 -2.00 -0.76 0.00 0.00 175.35 173.11 6at1 s GLU 144 N -0.73 3.82 0.16 1.68 2.12 -1.26 -2.41 118.70 122.08 6at1 s GLU 144 Ca 0.38 -0.33 0.08 0.00 0.36 0.00 0.00 54.97 55.46 6at1 s GLU 144 Cb -0.23 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 6at1 s GLU 144 CO 0.26 0.37 -0.18 -0.06 -0.54 0.00 0.00 175.26 175.11 6at1 s PHE 145 N 0.09 1.79 0.36 5.30 0.40 -0.68 -4.95 117.98 120.30 6at1 s PHE 145 Ca 0.05 -0.47 -0.26 0.00 -0.60 0.00 0.00 56.93 55.65 6at1 s PHE 145 Cb -0.12 -0.90 -0.09 0.00 0.51 0.00 0.00 43.02 42.42 6at1 s PHE 145 CO 0.01 0.31 1.12 0.45 0.70 0.00 0.00 175.22 177.81 6at1 s SER 146 N -2.61 6.81 0.60 1.36 0.15 -1.26 -1.08 113.70 117.67 6at1 s SER 146 Ca 0.15 2.24 0.33 0.00 0.70 0.00 0.00 55.95 59.37 6at1 s SER 146 Cb -0.06 -2.61 1.91 0.00 -1.71 0.00 0.00 66.02 63.55 6at1 s SER 146 CO 0.06 -0.47 2.25 1.12 1.20 0.00 0.00 173.24 177.41 6at1 h HIS 147 N 2.94 0.00 -0.73 3.44 2.07 -1.69 -0.37 115.15 120.81 6at1 h HIS 147 Ca -0.48 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.01 6at1 h HIS 147 Cb 1.22 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 6at1 h HIS 147 CO 0.57 0.02 0.35 -0.91 -3.07 0.00 0.00 177.93 174.88 6at1 h ASN 148 N 0.00 0.94 0.28 3.10 4.21 -1.91 0.25 115.58 122.44 6at1 h ASN 148 Ca -0.00 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 6at1 h ASN 148 Cb 0.07 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 6at1 h ASN 148 CO 0.00 0.79 -0.13 0.58 -1.29 0.00 0.00 177.43 177.38 6at1 h VAL 149 N 1.03 0.75 0.00 2.81 2.07 -1.47 -2.81 116.25 118.62 6at1 h VAL 149 Ca 0.25 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 6at1 h VAL 149 Cb 0.11 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 6at1 h VAL 149 CO -0.03 0.13 -0.10 0.58 0.02 0.00 0.00 177.57 178.16 6at1 h VAL 150 N -0.72 0.89 -0.01 2.57 2.07 -0.67 -2.08 116.25 118.30 6at1 h VAL 150 Ca -0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.11 6at1 h VAL 150 Cb 0.49 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 6at1 h VAL 150 CO 0.06 0.10 -0.55 0.18 0.02 0.00 0.00 177.57 177.38 6at1 n LEU 151 N -4.16 1.08 0.15 2.57 4.77 0.80 -3.41 117.00 118.80 6at1 n LEU 151 Ca -0.03 -0.35 0.05 0.00 -0.03 0.00 0.00 56.01 55.66 6at1 n LEU 151 Cb 0.18 -0.10 0.49 0.00 -2.33 0.00 0.00 43.42 41.66 6at1 n LEU 151 CO 0.33 0.23 1.02 0.00 -1.33 0.00 0.00 177.39 177.64 6at1 h ALA 152 N 3.37 1.74 0.00 -1.18 0.00 -1.09 -3.50 119.26 118.60 6at1 h ALA 152 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 6at1 h ALA 152 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 6at1 h ALA 152 CO 0.00 0.20 0.00 0.27 0.00 0.00 0.00 179.25 179.72