#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3at1 s VAL 9 N 0.00 3.22 0.09 1.61 1.01 -1.26 -4.83 120.40 120.24 3at1 s VAL 9 Ca 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.06 3at1 s VAL 9 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3at1 s VAL 9 CO 0.00 -0.81 0.00 -1.84 0.00 0.00 0.00 175.10 172.45 3at1 n GLU 10 N 3.56 0.00 -2.53 2.72 0.00 -1.26 -5.01 120.64 118.12 3at1 n GLU 10 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.81 3at1 n GLU 10 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.78 3at1 n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3at1 s ALA 11 N -2.00 2.73 0.14 -1.84 0.00 -1.26 -4.95 121.76 114.57 3at1 s ALA 11 Ca 0.00 -2.31 0.08 0.00 0.00 0.00 0.00 51.96 49.73 3at1 s ALA 11 Cb 0.00 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.53 3at1 s ALA 11 CO 0.00 -3.66 -0.11 0.96 0.00 0.00 0.00 175.76 172.95 3at1 s ILE 12 N 5.24 3.23 -0.83 0.00 -4.36 -1.26 -5.01 121.20 118.22 3at1 s ILE 12 Ca 0.49 -1.45 0.26 0.00 -0.26 0.00 0.00 60.65 59.69 3at1 s ILE 12 Cb 0.00 -2.54 0.11 0.00 1.25 0.00 0.00 42.46 41.28 3at1 s ILE 12 CO -0.06 0.02 1.53 1.17 0.24 0.00 0.00 174.94 177.84 3at1 n LYS 13 N 0.46 0.15 -3.60 0.37 4.81 -1.26 -4.47 118.16 114.61 3at1 n LYS 13 Ca -0.13 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.30 3at1 n LYS 13 Cb 0.54 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.92 3at1 n LYS 13 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3at1 s ARG 14 N -3.08 0.41 0.00 1.64 3.52 -1.26 -2.47 118.95 117.71 3at1 s ARG 14 Ca 0.10 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 3at1 s ARG 14 Cb 0.15 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 3at1 s ARG 14 CO 0.66 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 3at1 n GLY 15 N 0.77 0.83 3.32 8.12 0.00 0.34 -3.05 105.19 115.52 3at1 n GLY 15 Ca -0.07 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 3at1 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3at1 s THR 16 N -2.00 1.97 -0.14 2.61 2.01 -0.52 -0.37 115.64 119.20 3at1 s THR 16 Ca 0.00 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.46 3at1 s THR 16 Cb 0.00 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.82 3at1 s THR 16 CO 0.00 0.13 0.02 -0.69 -0.69 0.00 0.00 174.62 173.39 3at1 s VAL 17 N -0.98 0.48 -0.54 3.82 1.01 -1.09 -1.51 120.40 121.58 3at1 s VAL 17 Ca 0.10 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 3at1 s VAL 17 Cb -0.10 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.52 3at1 s VAL 17 CO 0.04 0.00 0.72 -0.63 0.00 0.00 0.00 175.10 175.23 3at1 s ILE 18 N 1.90 4.74 0.36 2.22 1.01 0.46 -3.24 121.20 128.66 3at1 s ILE 18 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3at1 s ILE 18 Cb -0.15 -4.40 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 3at1 s ILE 18 CO -0.07 -0.96 0.56 -0.62 0.00 0.00 0.00 174.94 173.85 3at1 s ASP 19 N 2.93 6.12 -0.32 3.58 3.68 0.05 -1.88 116.67 130.85 3at1 s ASP 19 Ca 0.18 0.29 -0.01 0.00 2.13 0.00 0.00 52.55 55.14 3at1 s ASP 19 Cb -0.19 -1.78 0.00 0.00 -1.45 0.00 0.00 42.92 39.51 3at1 s ASP 19 CO 0.12 -0.41 0.07 1.57 0.13 0.00 0.00 175.17 176.66 3at1 n HIS 20 N -1.82 -0.31 -2.83 -5.34 -0.00 -1.25 -0.41 115.22 103.26 3at1 n HIS 20 Ca -0.03 0.06 -0.42 0.00 0.46 0.00 0.00 57.72 57.79 3at1 n HIS 20 Cb 0.57 -1.64 -0.04 0.00 -0.12 0.00 0.00 29.99 28.76 3at1 n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3at1 s ILE 21 N -2.48 4.73 -0.28 3.57 1.01 -1.10 -3.90 121.20 122.75 3at1 s ILE 21 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3at1 s ILE 21 Cb -0.02 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3at1 s ILE 21 CO 0.05 -0.24 0.06 -0.81 0.00 0.00 0.00 174.94 173.99 3at1 n PRO 22 N 6.30 0.00 0.00 2.79 -0.04 -1.26 -0.08 135.00 142.71 3at1 n PRO 22 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3at1 n PRO 22 Cb 0.47 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3at1 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3at1 n ALA 23 N -0.46 -1.48 -0.31 0.55 0.00 -1.25 -4.77 120.51 112.79 3at1 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3at1 n ALA 23 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3at1 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3at1 n GLN 24 N -0.70 0.00 -0.10 0.00 1.13 -1.26 -4.78 117.38 111.68 3at1 n GLN 24 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 3at1 n GLN 24 Cb 0.00 -3.93 -0.15 0.00 0.11 0.00 0.00 30.24 26.28 3at1 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3at1 n ILE 25 N -1.69 1.45 -0.34 5.09 2.08 -1.26 -4.32 119.36 120.37 3at1 n ILE 25 Ca 0.00 -0.77 0.12 0.00 0.56 0.00 0.00 62.75 62.66 3at1 n ILE 25 Cb 0.00 -0.82 0.32 0.00 -0.75 0.00 0.00 39.64 38.40 3at1 n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3at1 h GLY 26 N 3.31 1.65 1.25 7.39 0.00 -1.87 0.26 103.07 115.05 3at1 h GLY 26 Ca -0.53 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.32 3at1 h GLY 26 CO 0.00 -0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.58 3at1 h PHE 27 N 0.78 0.98 -0.55 5.60 3.57 -1.99 -0.47 116.94 124.87 3at1 h PHE 27 Ca 0.55 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3at1 h PHE 27 Cb 0.83 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 3at1 h PHE 27 CO -0.00 0.99 0.33 -0.22 -2.23 0.00 0.00 178.31 177.18 3at1 h LYS 28 N 0.75 0.75 -0.31 1.11 3.64 -1.08 -0.28 116.57 121.16 3at1 h LYS 28 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3at1 h LYS 28 Cb 0.75 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3at1 h LYS 28 CO 0.06 0.54 0.05 -0.07 -2.27 0.00 0.00 179.45 177.77 3at1 h LEU 29 N 0.74 0.49 -1.52 5.20 3.38 -0.14 0.10 115.31 123.56 3at1 h LEU 29 Ca 0.20 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3at1 h LEU 29 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3at1 h LEU 29 CO -0.04 0.62 -0.10 -0.07 0.09 0.00 0.00 178.44 178.94 3at1 h LEU 30 N 0.34 0.17 0.30 1.67 3.38 -0.84 0.09 115.31 120.42 3at1 h LEU 30 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3at1 h LEU 30 Cb 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3at1 h LEU 30 CO 0.01 0.30 -0.15 0.28 0.09 0.00 0.00 178.44 178.97 3at1 h SER 31 N 0.17 -0.34 0.21 -0.43 0.02 -0.43 -2.21 113.55 110.53 3at1 h SER 31 Ca 0.04 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3at1 h SER 31 Cb 0.30 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3at1 h SER 31 CO 0.02 0.12 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.66 3at1 h LEU 32 N -0.97 -0.24 -0.21 5.07 3.38 -0.83 -2.90 115.31 118.62 3at1 h LEU 32 Ca -0.04 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3at1 h LEU 32 Cb 0.49 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3at1 h LEU 32 CO 0.07 0.13 -0.04 0.49 0.09 0.00 0.00 178.44 179.18 3at1 n PHE 33 N -5.06 0.00 -3.61 1.13 3.72 0.00 -4.88 117.46 108.77 3at1 n PHE 33 Ca -0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.10 3at1 n PHE 33 Cb 0.24 -0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3at1 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3at1 n LYS 34 N -0.88 -6.07 0.15 -1.08 5.02 -0.87 -4.92 118.16 109.51 3at1 n LYS 34 Ca 0.18 0.73 0.04 0.00 -2.02 0.00 0.00 58.31 57.24 3at1 n LYS 34 Cb 0.23 -5.57 0.45 0.00 -0.02 0.00 0.00 35.03 30.11 3at1 n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3at1 h LEU 35 N -2.03 0.16 -0.27 -0.35 3.38 -1.71 -3.22 115.31 111.26 3at1 h LEU 35 Ca -0.59 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.26 3at1 h LEU 35 Cb 1.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3at1 h LEU 35 CO 0.55 0.28 -0.42 0.71 0.09 0.00 0.00 178.44 179.65 3at1 h THR 36 N 0.17 0.77 -1.87 0.22 1.35 -1.92 -3.41 112.91 108.22 3at1 h THR 36 Ca 0.04 -1.91 -0.55 0.00 -0.55 0.00 0.00 66.41 63.43 3at1 h THR 36 Cb 0.28 2.25 -0.08 0.00 -1.73 0.00 0.00 68.15 68.86 3at1 h THR 36 CO 0.01 0.41 1.21 -1.61 -0.25 0.00 0.00 175.52 175.30 3at1 s GLU 37 N -3.15 3.28 -0.26 4.72 2.02 -1.22 -4.80 118.70 119.29 3at1 s GLU 37 Ca 0.03 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 3at1 s GLU 37 Cb 0.08 -4.62 0.18 0.00 0.10 0.00 0.00 34.13 29.87 3at1 s GLU 37 CO 0.72 -2.24 1.28 -0.08 0.02 0.00 0.00 175.26 174.96 3at1 s THR 38 N 5.78 0.00 -0.60 3.63 -1.32 -1.26 -5.07 115.64 116.79 3at1 s THR 38 Ca 0.41 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.92 3at1 s THR 38 Cb -0.05 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.33 3at1 s THR 38 CO 0.06 0.00 1.46 -0.67 -2.21 0.00 0.00 174.62 173.27 3at1 n ASP 39 N 0.57 5.80 -4.59 8.08 2.03 -1.26 -4.97 116.55 122.22 3at1 n ASP 39 Ca -0.02 -3.76 -0.26 0.00 0.52 0.00 0.00 54.79 51.26 3at1 n ASP 39 Cb 0.59 -0.70 -0.09 0.00 -0.72 0.00 0.00 41.12 40.20 3at1 n ASP 39 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3at1 s GLN 40 N -3.75 2.12 -0.06 -0.67 2.00 -1.26 -5.07 119.66 112.97 3at1 s GLN 40 Ca 0.49 -1.27 -0.30 0.00 -2.00 0.00 0.00 55.36 52.28 3at1 s GLN 40 Cb 0.41 -2.18 -0.04 0.00 0.80 0.00 0.00 33.01 32.01 3at1 s GLN 40 CO -0.27 0.43 1.27 0.50 -0.50 0.00 0.00 175.29 176.72 3at1 s ARG 41 N -2.93 4.31 -0.07 1.67 3.52 -1.26 -4.93 118.95 119.26 3at1 s ARG 41 Ca 0.26 1.76 0.04 0.00 -0.13 0.00 0.00 55.73 57.66 3at1 s ARG 41 Cb -0.09 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 3at1 s ARG 41 CO 0.16 -0.53 -0.19 0.42 -0.81 0.00 0.00 175.30 174.35 3at1 s ILE 42 N 2.49 1.63 -0.19 4.11 1.01 -1.26 -1.31 121.20 127.68 3at1 s ILE 42 Ca 0.58 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3at1 s ILE 42 Cb -0.26 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 40.83 3at1 s ILE 42 CO 0.22 0.46 -0.14 0.42 0.00 0.00 0.00 174.94 175.91 3at1 s THR 43 N 0.31 1.82 -0.09 2.92 -4.23 0.17 -4.95 115.64 111.58 3at1 s THR 43 Ca -0.12 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3at1 s THR 43 Cb -0.15 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3at1 s THR 43 CO 0.05 0.28 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.75 3at1 s ILE 44 N 1.34 4.02 -0.14 2.99 1.01 -1.26 -0.41 121.20 128.75 3at1 s ILE 44 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3at1 s ILE 44 Cb -0.15 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.65 3at1 s ILE 44 CO -0.09 0.58 -0.16 -0.83 0.00 0.00 0.00 174.94 174.44 3at1 s GLY 45 N -0.65 1.15 -0.03 6.18 0.00 0.15 -5.00 107.32 109.12 3at1 s GLY 45 Ca 0.10 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.99 3at1 s GLY 45 CO 0.02 0.38 -0.24 1.08 0.00 0.00 0.00 173.10 174.34 3at1 s LEU 46 N 1.28 2.04 -1.25 0.66 1.43 -1.26 -0.27 118.68 121.30 3at1 s LEU 46 Ca 0.01 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3at1 s LEU 46 Cb -0.14 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3at1 s LEU 46 CO -0.08 0.27 1.06 0.59 0.23 0.00 0.00 176.35 178.42 3at1 n ASN 47 N 2.68 -6.02 -4.76 2.29 3.02 -0.39 -4.98 115.26 107.10 3at1 n ASN 47 Ca -0.16 -0.48 -0.38 0.00 -0.03 0.00 0.00 54.58 53.53 3at1 n ASN 47 Cb 0.52 -4.65 0.01 0.00 -0.61 0.00 0.00 39.78 35.05 3at1 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3at1 s LEU 48 N -6.75 3.98 0.06 3.41 1.43 -0.19 -4.83 118.68 115.79 3at1 s LEU 48 Ca 0.53 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 56.05 3at1 s LEU 48 Cb -0.23 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 3at1 s LEU 48 CO 0.65 -1.17 0.73 -0.81 0.23 0.00 0.00 176.35 175.98 3at1 n PRO 49 N -0.62 -0.17 -1.91 1.29 -0.04 -1.26 -2.96 135.00 129.34 3at1 n PRO 49 Ca 0.08 0.72 -0.05 0.00 -0.04 0.00 0.00 63.50 64.21 3at1 n PRO 49 Cb 0.46 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 3at1 n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3at1 n SER 50 N -4.07 -1.79 -0.35 3.54 2.88 -1.26 -4.32 113.62 108.26 3at1 n SER 50 Ca 0.01 0.27 0.24 0.00 -1.33 0.00 0.00 58.87 58.05 3at1 n SER 50 Cb 0.10 -1.75 0.48 0.00 -0.75 0.00 0.00 64.21 62.29 3at1 n SER 50 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3at1 h GLY 51 N 0.00 1.78 -0.20 0.46 0.00 -1.86 1.03 103.07 104.28 3at1 h GLY 51 Ca -0.11 -0.24 0.27 0.00 0.00 0.00 0.00 47.33 47.26 3at1 h GLY 51 CO 0.14 -0.35 0.66 1.05 0.00 0.00 0.00 176.54 178.04 3at1 h GLU 52 N 0.38 0.41 -1.61 4.80 -0.00 -2.00 -2.73 114.58 113.82 3at1 h GLU 52 Ca 0.70 -0.02 -0.46 0.00 -0.00 0.00 0.00 59.36 59.57 3at1 h GLU 52 Cb 1.63 -0.09 -0.35 0.00 -0.00 0.00 0.00 28.75 29.95 3at1 h GLU 52 CO -0.49 0.27 -1.02 -1.33 -0.00 0.00 0.00 179.01 176.43 3at1 n MET 53 N -4.70 0.86 0.00 1.06 2.81 0.33 -5.09 117.12 112.40 3at1 n MET 53 Ca 0.26 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.14 3at1 n MET 53 Cb 0.88 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 3at1 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3at1 n GLY 54 N 0.83 1.49 3.54 3.03 0.00 0.29 -4.35 105.19 110.01 3at1 n GLY 54 Ca 0.20 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 3at1 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3at1 s ARG 55 N 0.00 0.44 0.08 1.61 3.52 -1.25 -3.75 118.95 119.61 3at1 s ARG 55 Ca 0.00 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3at1 s ARG 55 Cb 0.00 0.52 -0.00 0.00 -1.56 0.00 0.00 34.95 33.91 3at1 s ARG 55 CO 0.00 -0.14 0.01 0.36 -0.81 0.00 0.00 175.30 174.73 3at1 n LYS 56 N 4.92 1.26 -4.42 5.12 2.85 -1.15 -3.77 118.16 122.96 3at1 n LYS 56 Ca -0.12 -0.62 -0.21 0.00 -1.05 0.00 0.00 58.31 56.31 3at1 n LYS 56 Cb 0.53 0.26 -0.10 0.00 -0.65 0.00 0.00 35.03 35.07 3at1 n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3at1 s ASP 57 N -1.46 2.60 -0.16 -5.58 -0.00 0.89 -1.02 116.67 111.94 3at1 s ASP 57 Ca 0.02 -1.23 -0.09 0.00 -0.00 0.00 0.00 52.55 51.26 3at1 s ASP 57 Cb 0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 42.92 42.84 3at1 s ASP 57 CO 0.01 -0.41 0.38 -0.22 -0.00 0.00 0.00 175.17 174.94 3at1 s LEU 58 N -3.44 0.05 -0.05 1.23 0.20 0.63 -2.71 118.68 114.59 3at1 s LEU 58 Ca 0.30 0.82 0.04 0.00 0.69 0.00 0.00 54.13 55.99 3at1 s LEU 58 Cb 0.05 1.24 -0.00 0.00 -0.43 0.00 0.00 46.19 47.05 3at1 s LEU 58 CO 0.12 -0.18 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.18 3at1 s ILE 59 N 1.27 1.55 -0.17 6.68 1.01 -0.79 -0.67 121.20 130.08 3at1 s ILE 59 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3at1 s ILE 59 Cb -0.08 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.09 3at1 s ILE 59 CO -0.11 0.44 -0.11 -0.54 0.00 0.00 0.00 174.94 174.63 3at1 s LYS 60 N 0.04 1.99 -0.13 2.79 1.02 0.46 -0.41 119.74 125.50 3at1 s LYS 60 Ca -0.05 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.31 3at1 s LYS 60 Cb -0.12 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 3at1 s LYS 60 CO 0.03 -0.35 -0.15 0.42 -0.92 0.00 0.00 175.35 174.38 3at1 s ILE 61 N 1.49 2.81 0.43 2.17 1.09 -0.57 -0.66 121.20 127.96 3at1 s ILE 61 Ca 0.02 -0.74 -0.22 0.00 -1.10 0.00 0.00 60.65 58.61 3at1 s ILE 61 Cb -0.14 -2.17 -0.10 0.00 -1.06 0.00 0.00 42.46 38.99 3at1 s ILE 61 CO -0.09 0.53 0.97 -0.70 -0.10 0.00 0.00 174.94 175.55 3at1 s GLU 62 N 0.45 4.19 -1.34 2.79 2.12 -0.42 -1.44 118.70 125.04 3at1 s GLU 62 Ca -0.11 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.43 3at1 s GLU 62 Cb -0.16 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.98 3at1 s GLU 62 CO 0.05 -0.08 0.00 0.09 -0.54 0.00 0.00 175.26 174.79 3at1 n ASN 63 N -0.54 -3.77 -3.97 -1.70 3.02 -1.17 -4.69 115.26 102.45 3at1 n ASN 63 Ca 0.07 0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.69 3at1 n ASN 63 Cb 0.53 -3.39 -0.16 0.00 -0.61 0.00 0.00 39.78 36.15 3at1 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3at1 s THR 64 N -2.32 0.74 -0.17 3.41 2.01 -1.26 -4.96 115.64 113.09 3at1 s THR 64 Ca 0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3at1 s THR 64 Cb 0.00 -0.69 0.04 0.00 0.01 0.00 0.00 72.50 71.86 3at1 s THR 64 CO 0.00 0.25 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.73 3at1 s PHE 65 N 0.49 2.08 -0.21 4.92 0.40 -1.26 -1.65 117.98 122.75 3at1 s PHE 65 Ca -0.08 -1.31 -0.26 0.00 -0.60 0.00 0.00 56.93 54.68 3at1 s PHE 65 Cb -0.11 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 3at1 s PHE 65 CO 0.01 -0.68 0.87 -0.51 0.70 0.00 0.00 175.22 175.61 3at1 s LEU 66 N 1.51 4.13 0.09 -0.37 1.02 -1.26 -5.02 118.68 118.77 3at1 s LEU 66 Ca 0.01 1.16 -0.01 0.00 0.02 0.00 0.00 54.13 55.31 3at1 s LEU 66 Cb -0.15 -3.28 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 3at1 s LEU 66 CO -0.08 -0.49 0.26 -0.44 0.02 0.00 0.00 176.35 175.61 3at1 s SER 67 N 1.24 6.39 0.00 2.29 0.01 -1.26 -4.82 113.70 117.54 3at1 s SER 67 Ca 0.38 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.98 3at1 s SER 67 Cb -0.16 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.09 3at1 s SER 67 CO 0.09 0.13 0.00 -0.62 0.41 0.00 0.00 173.24 173.25 3at1 n GLU 68 N 0.13 0.00 -0.34 12.44 4.71 -1.26 -0.48 120.64 135.84 3at1 n GLU 68 Ca -0.05 0.00 0.17 0.00 -0.01 0.00 0.00 57.16 57.27 3at1 n GLU 68 Cb 0.52 0.00 0.38 0.00 -1.01 0.00 0.00 31.44 31.32 3at1 n GLU 68 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 3at1 h ASP 69 N 0.00 0.69 -0.38 1.62 2.03 -1.99 -2.22 116.42 116.17 3at1 h ASP 69 Ca 0.00 0.12 -0.16 0.00 -0.73 0.00 0.00 57.03 56.26 3at1 h ASP 69 Cb 0.00 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 3at1 h ASP 69 CO 0.00 0.15 -0.38 1.56 -1.03 0.00 0.00 179.24 179.54 3at1 h GLN 70 N 0.62 0.92 -0.17 4.15 4.20 -1.14 -1.54 115.11 122.14 3at1 h GLN 70 Ca 0.62 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3at1 h GLN 70 Cb 1.16 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 3at1 h GLN 70 CO -0.43 1.14 -0.13 0.28 -0.67 0.00 0.00 178.83 179.02 3at1 h VAL 71 N 0.73 1.33 -0.25 -0.54 2.07 -1.55 -2.72 116.25 115.32 3at1 h VAL 71 Ca 0.06 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3at1 h VAL 71 Cb 0.98 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3at1 h VAL 71 CO 0.09 0.37 0.12 0.44 0.02 0.00 0.00 177.57 178.62 3at1 h ASP 72 N 0.05 0.30 0.00 0.57 5.19 -1.44 -1.00 116.42 120.08 3at1 h ASP 72 Ca 0.03 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3at1 h ASP 72 Cb 0.64 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3at1 h ASP 72 CO 0.03 0.26 0.00 1.56 -3.12 0.00 0.00 179.24 177.97 3at1 h GLN 73 N 0.34 0.00 0.00 3.56 1.08 -0.95 -2.12 115.11 117.02 3at1 h GLN 73 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3at1 h GLN 73 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3at1 h GLN 73 CO -0.01 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.15 3at1 n LEU 74 N -3.01 0.00 0.05 1.46 4.77 -0.38 -4.26 117.00 115.63 3at1 n LEU 74 Ca -0.03 0.45 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 3at1 n LEU 74 Cb 0.07 -0.45 0.43 0.00 -2.33 0.00 0.00 43.42 41.14 3at1 n LEU 74 CO 0.19 -0.04 1.09 0.00 -1.33 0.00 0.00 177.39 177.30 3at1 h ALA 75 N 3.01 1.68 0.00 -1.18 0.00 -1.50 0.94 119.26 122.21 3at1 h ALA 75 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3at1 h ALA 75 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3at1 h ALA 75 CO 0.00 0.27 0.00 -0.11 0.00 0.00 0.00 179.25 179.41 3at1 n LEU 76 N -4.43 0.12 -0.09 0.00 7.94 -1.26 -3.82 117.00 115.45 3at1 n LEU 76 Ca 0.02 0.52 -0.20 0.00 -1.11 0.00 0.00 56.01 55.24 3at1 n LEU 76 Cb 0.11 -0.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.51 3at1 n LEU 76 CO 0.36 -0.12 -1.15 -1.22 -1.11 0.00 0.00 177.39 174.15 3at1 n TYR 77 N -1.62 0.00 -3.40 1.96 4.01 0.21 -4.84 117.16 113.48 3at1 n TYR 77 Ca 0.06 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.53 3at1 n TYR 77 Cb 0.29 -0.68 -0.09 0.00 -0.31 0.00 0.00 39.34 38.55 3at1 n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3at1 n ALA 78 N -3.76 2.93 0.30 -0.72 0.00 -0.52 -4.90 120.51 113.84 3at1 n ALA 78 Ca -0.37 -3.58 0.18 0.00 0.00 0.00 0.00 53.44 49.67 3at1 n ALA 78 Cb 0.77 -0.82 0.86 0.00 0.00 0.00 0.00 19.45 20.26 3at1 n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3at1 h PRO 79 N 4.90 0.00 -0.02 0.00 0.13 -1.76 -2.81 132.00 132.45 3at1 h PRO 79 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3at1 h PRO 79 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3at1 h PRO 79 CO 0.50 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.06 3at1 n GLN 80 N -2.85 1.66 -0.81 0.86 0.00 -1.26 -4.49 117.38 110.49 3at1 n GLN 80 Ca -0.01 -1.33 -0.30 0.00 0.00 0.00 0.00 57.00 55.37 3at1 n GLN 80 Cb 0.16 -1.39 0.18 0.00 0.00 0.00 0.00 30.24 29.19 3at1 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3at1 s ALA 81 N -1.98 0.87 -0.29 2.61 0.00 -1.06 -4.91 121.76 117.00 3at1 s ALA 81 Ca 0.20 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.35 3at1 s ALA 81 Cb 0.17 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 20.06 3at1 s ALA 81 CO 0.38 -2.98 -0.01 0.99 0.00 0.00 0.00 175.76 174.15 3at1 s THR 82 N -2.67 1.82 0.45 0.00 2.01 0.45 -4.26 115.64 113.44 3at1 s THR 82 Ca 0.66 -1.73 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 3at1 s THR 82 Cb -0.22 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.04 3at1 s THR 82 CO 0.60 -0.35 0.83 -0.69 -0.69 0.00 0.00 174.62 174.32 3at1 s VAL 83 N 1.20 4.75 -0.22 3.82 1.01 -0.07 -0.77 120.40 130.12 3at1 s VAL 83 Ca 0.02 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 3at1 s VAL 83 Cb -0.19 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.51 3at1 s VAL 83 CO -0.09 -0.63 0.54 0.20 0.00 0.00 0.00 175.10 175.12 3at1 s ASN 84 N -3.31 -0.71 0.36 3.32 0.01 -1.20 -0.68 114.94 112.73 3at1 s ASN 84 Ca 0.52 1.18 0.04 0.00 -0.71 0.00 0.00 52.86 53.89 3at1 s ASN 84 Cb -0.10 1.07 -0.01 0.00 0.41 0.00 0.00 41.25 42.61 3at1 s ASN 84 CO 0.34 -0.21 0.53 -0.13 -1.51 0.00 0.00 177.10 176.12 3at1 s ARG 85 N 1.41 3.17 -0.04 -0.60 0.52 -1.01 -2.68 118.95 119.73 3at1 s ARG 85 Ca -0.09 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 3at1 s ARG 85 Cb -0.07 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.71 3at1 s ARG 85 CO -0.15 -0.00 0.03 0.42 0.02 0.00 0.00 175.30 175.62 3at1 s ILE 86 N -2.30 0.08 -0.06 1.52 1.09 0.50 -0.52 121.20 121.50 3at1 s ILE 86 Ca 0.44 0.23 0.07 0.00 -1.10 0.00 0.00 60.65 60.30 3at1 s ILE 86 Cb -0.10 -0.25 -0.11 0.00 -1.06 0.00 0.00 42.46 40.95 3at1 s ILE 86 CO 0.34 0.17 0.07 -0.90 -0.10 0.00 0.00 174.94 174.51 3at1 n ASP 87 N 4.71 3.02 -3.92 3.58 5.75 -1.25 -0.50 116.55 127.94 3at1 n ASP 87 Ca -0.15 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.39 3at1 n ASP 87 Cb 0.50 0.86 -0.08 0.00 -1.03 0.00 0.00 41.12 41.37 3at1 n ASP 87 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3at1 s ASN 88 N -3.75 2.39 0.00 -1.12 0.01 -1.06 -4.75 114.94 106.65 3at1 s ASN 88 Ca -0.04 -1.68 0.00 0.00 -0.71 0.00 0.00 52.86 50.43 3at1 s ASN 88 Cb 0.03 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.20 3at1 s ASN 88 CO 0.34 -0.96 0.00 0.00 -1.51 0.00 0.00 177.10 174.96 3at1 n TYR 89 N -0.81 0.00 -3.63 2.20 4.19 -1.03 -4.32 117.16 113.75 3at1 n TYR 89 Ca -0.02 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.05 3at1 n TYR 89 Cb 0.64 -0.10 -0.06 0.00 0.49 0.00 0.00 39.34 40.30 3at1 n TYR 89 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 3at1 s GLU 90 N 0.99 0.93 -0.93 2.98 2.56 -1.26 -4.90 118.70 119.06 3at1 s GLU 90 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 54.97 54.54 3at1 s GLU 90 Cb 0.00 0.42 -0.19 0.00 2.00 0.00 0.00 34.13 36.36 3at1 s GLU 90 CO 0.00 -0.31 2.21 0.28 -0.56 0.00 0.00 175.26 176.88 3at1 n VAL 91 N 0.71 0.00 1.24 3.70 0.31 -1.26 -3.84 118.33 119.18 3at1 n VAL 91 Ca -0.19 -0.23 0.08 0.00 -0.01 0.00 0.00 64.34 63.99 3at1 n VAL 91 Cb 0.59 -1.88 0.50 0.00 -0.91 0.00 0.00 33.84 32.13 3at1 n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3at1 n VAL 92 N 8.76 0.00 -3.58 2.52 3.14 0.32 -4.86 118.33 124.63 3at1 n VAL 92 Ca 0.43 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.83 3at1 n VAL 92 Cb 0.45 -0.61 -0.00 0.00 -1.06 0.00 0.00 33.84 32.61 3at1 n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3at1 s GLY 93 N -1.90 -0.44 0.03 7.55 0.00 -1.21 -4.86 107.32 106.49 3at1 s GLY 93 Ca 0.25 1.12 -0.01 0.00 0.00 0.00 0.00 44.72 46.07 3at1 s GLY 93 CO 0.19 0.26 0.00 1.25 0.00 0.00 0.00 173.10 174.80 3at1 s LYS 94 N -2.08 0.41 -0.10 2.90 2.20 -1.26 -2.40 119.74 119.40 3at1 s LYS 94 Ca 0.14 -0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 54.86 3at1 s LYS 94 Cb 0.06 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.57 3at1 s LYS 94 CO -0.06 -0.08 0.46 -1.12 -0.36 0.00 0.00 175.35 174.20 3at1 s SER 95 N -1.77 -0.43 0.03 1.43 0.01 0.14 -4.90 113.70 108.21 3at1 s SER 95 Ca -0.11 0.64 0.04 0.00 1.31 0.00 0.00 55.95 57.84 3at1 s SER 95 Cb -0.06 0.69 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 3at1 s SER 95 CO -0.03 -0.34 -0.13 -0.60 0.41 0.00 0.00 173.24 172.56 3at1 s ARG 96 N -0.52 0.86 0.16 12.44 3.52 -1.26 -0.89 118.95 133.26 3at1 s ARG 96 Ca -0.06 -0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 3at1 s ARG 96 Cb -0.03 -0.85 -0.09 0.00 -1.56 0.00 0.00 34.95 32.43 3at1 s ARG 96 CO 0.04 0.21 1.39 -2.14 -0.81 0.00 0.00 175.30 173.98 3at1 s PRO 97 N -1.07 4.32 -0.01 5.12 0.02 -1.26 -4.84 135.00 137.28 3at1 s PRO 97 Ca 0.01 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3at1 s PRO 97 Cb -0.08 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 3at1 s PRO 97 CO 0.01 -0.40 -0.05 -1.12 -0.33 0.00 0.00 177.00 175.11 3at1 s SER 98 N 0.82 4.75 0.02 2.53 0.01 -1.26 -4.85 113.70 115.72 3at1 s SER 98 Ca 0.62 -0.09 -0.30 0.00 1.31 0.00 0.00 55.95 57.49 3at1 s SER 98 Cb -0.38 -1.16 -0.08 0.00 0.21 0.00 0.00 66.02 64.61 3at1 s SER 98 CO 0.34 0.30 1.82 -0.22 0.41 0.00 0.00 173.24 175.88 3at1 s LEU 99 N -1.35 4.39 0.74 2.44 2.96 -1.26 -4.42 118.68 122.18 3at1 s LEU 99 Ca 0.17 2.53 -0.09 0.00 -0.22 0.00 0.00 54.13 56.52 3at1 s LEU 99 Cb -0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.10 3at1 s LEU 99 CO 0.07 -0.99 1.08 -2.16 -1.32 0.00 0.00 176.35 173.03 3at1 s PRO 100 N 3.90 2.21 0.42 0.98 0.04 -1.26 -4.98 135.00 136.29 3at1 s PRO 100 Ca 0.81 -0.03 0.16 0.00 0.04 0.00 0.00 61.00 61.98 3at1 s PRO 100 Cb -0.40 -2.07 0.91 0.00 0.04 0.00 0.00 34.50 32.98 3at1 s PRO 100 CO 0.36 -1.33 1.90 0.93 0.04 0.00 0.00 177.00 178.91 3at1 h GLU 101 N -0.76 0.00 -3.92 4.56 3.07 -1.94 -3.41 114.58 112.18 3at1 h GLU 101 Ca -0.45 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.29 3at1 h GLU 101 Cb 1.31 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.06 3at1 h GLU 101 CO 0.63 0.28 -0.53 0.50 -1.40 0.00 0.00 179.01 178.49 3at1 s ARG 102 N -4.28 0.64 -0.15 2.33 3.52 -1.26 -0.67 118.95 119.08 3at1 s ARG 102 Ca -0.03 -0.91 -0.04 0.00 -0.13 0.00 0.00 55.73 54.63 3at1 s ARG 102 Cb 0.14 0.25 0.05 0.00 -1.56 0.00 0.00 34.95 33.83 3at1 s ARG 102 CO 0.69 -0.16 0.07 0.42 -0.81 0.00 0.00 175.30 175.51 3at1 s ILE 103 N -3.17 0.10 0.51 4.11 1.01 0.06 -4.91 121.20 118.92 3at1 s ILE 103 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.55 3at1 s ILE 103 Cb 0.02 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.88 3at1 s ILE 103 CO -0.07 -0.16 0.46 -1.81 0.00 0.00 0.00 174.94 173.35 3at1 s ASP 104 N 2.06 4.82 0.00 3.58 1.01 -1.26 -0.87 116.67 126.00 3at1 s ASP 104 Ca 0.02 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.24 3at1 s ASP 104 Cb -0.16 0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.89 3at1 s ASP 104 CO -0.08 -1.01 0.00 0.59 0.21 0.00 0.00 175.17 174.88 3at1 n ASN 105 N -1.78 0.00 -0.07 0.27 3.02 0.27 -4.55 115.26 112.43 3at1 n ASN 105 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 3at1 n ASN 105 Cb 0.63 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.66 3at1 n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3at1 n VAL 106 N 0.00 1.57 -2.61 2.41 0.31 -1.26 -4.65 118.33 114.09 3at1 n VAL 106 Ca 0.00 -0.69 -0.28 0.00 -0.01 0.00 0.00 64.34 63.36 3at1 n VAL 106 Cb 0.00 -1.25 -0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3at1 n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3at1 s LEU 107 N -6.39 3.62 -0.03 7.52 1.43 -1.26 -5.09 118.68 118.48 3at1 s LEU 107 Ca -0.21 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 53.91 3at1 s LEU 107 Cb 0.08 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 3at1 s LEU 107 CO 0.73 -0.58 -0.16 -0.69 0.23 0.00 0.00 176.35 175.89 3at1 s VAL 108 N -2.73 2.92 0.10 -1.59 1.01 -1.26 -4.76 120.40 114.10 3at1 s VAL 108 Ca 0.48 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 3at1 s VAL 108 Cb -0.10 -2.15 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 3at1 s VAL 108 CO 0.44 0.55 1.54 0.00 0.00 0.00 0.00 175.10 177.64 3at1 h PRO 110 N 7.45 0.00 -6.26 0.00 0.11 -1.93 -3.42 132.00 127.95 3at1 h PRO 110 Ca -0.42 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 3at1 h PRO 110 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3at1 h PRO 110 CO 0.91 0.06 0.85 1.21 -0.21 0.00 0.00 178.00 180.82 3at1 s ASN 111 N -6.23 6.92 0.36 -2.05 2.47 -1.26 -4.88 114.94 110.27 3at1 s ASN 111 Ca -0.04 1.90 0.21 0.00 0.42 0.00 0.00 52.86 55.35 3at1 s ASN 111 Cb 0.14 -2.55 0.22 0.00 -1.45 0.00 0.00 41.25 37.62 3at1 s ASN 111 CO 0.58 -0.72 1.46 0.77 -3.72 0.00 0.00 177.10 175.46 3at1 h SER 112 N 8.07 0.00 -0.50 -4.21 4.64 -2.04 -3.12 113.55 116.38 3at1 h SER 112 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3at1 h SER 112 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3at1 h SER 112 CO 0.93 0.10 0.00 -3.20 -0.87 0.00 0.00 176.83 173.79 3at1 n ASN 113 N -3.04 2.71 -4.73 4.97 5.15 -1.26 -4.90 115.26 114.16 3at1 n ASN 113 Ca 0.03 -2.01 -0.41 0.00 -0.60 0.00 0.00 54.58 51.58 3at1 n ASN 113 Cb 0.58 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 3at1 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3at1 h ILE 115 N 3.85 0.17 -0.84 0.00 6.09 -1.92 -2.38 117.51 122.48 3at1 h ILE 115 Ca -0.44 -0.15 0.23 0.00 -1.37 0.00 0.00 64.86 63.13 3at1 h ILE 115 Cb 1.21 1.12 -0.04 0.00 0.47 0.00 0.00 36.82 39.59 3at1 h ILE 115 CO 0.79 0.02 0.59 0.77 -3.07 0.00 0.00 178.15 177.24 3at1 h SER 116 N 0.00 0.09 0.28 2.19 4.64 -1.92 -2.34 113.55 116.48 3at1 h SER 116 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3at1 h SER 116 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3at1 h SER 116 CO 0.00 0.03 0.00 0.45 -0.87 0.00 0.00 176.83 176.45 3at1 h HIS 117 N 0.09 0.00 0.00 4.77 3.86 -1.78 -3.24 115.15 118.84 3at1 h HIS 117 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3at1 h HIS 117 Cb 1.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.95 3at1 h HIS 117 CO -0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 3at1 n ALA 118 N -2.02 1.01 -2.86 2.45 0.00 -0.89 -5.11 120.51 113.09 3at1 n ALA 118 Ca -0.02 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 3at1 n ALA 118 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3at1 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3at1 s GLU 119 N -0.10 3.48 -0.78 0.00 0.41 -1.19 -5.00 118.70 115.52 3at1 s GLU 119 Ca 0.00 -0.47 -0.11 0.00 -0.41 0.00 0.00 54.97 53.99 3at1 s GLU 119 Cb 0.00 -2.92 -0.08 0.00 -1.78 0.00 0.00 34.13 29.35 3at1 s GLU 119 CO 0.00 0.48 1.95 -0.35 -0.49 0.00 0.00 175.26 176.85 3at1 n PRO 120 N -0.49 1.70 -3.99 0.39 -0.04 -1.26 -4.85 135.00 126.46 3at1 n PRO 120 Ca -0.06 -1.48 -0.09 0.00 -0.04 0.00 0.00 63.50 61.83 3at1 n PRO 120 Cb 0.54 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 3at1 n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3at1 s VAL 121 N 4.08 0.14 -0.04 0.52 0.11 -1.26 -5.15 120.40 118.80 3at1 s VAL 121 Ca 0.42 -1.16 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 3at1 s VAL 121 Cb 0.11 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3at1 s VAL 121 CO 0.02 -0.64 0.13 -0.44 -3.33 0.00 0.00 175.10 170.85 3at1 s SER 122 N -1.93 6.13 0.65 3.54 0.01 -1.26 -5.07 113.70 115.76 3at1 s SER 122 Ca -0.08 0.31 -0.16 0.00 1.31 0.00 0.00 55.95 57.33 3at1 s SER 122 Cb -0.04 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 3at1 s SER 122 CO -0.04 0.31 1.13 -0.94 0.41 0.00 0.00 173.24 174.11 3at1 s SER 123 N -1.60 5.10 -0.03 2.44 1.04 -1.26 -4.76 113.70 114.63 3at1 s SER 123 Ca 0.22 2.07 -0.01 0.00 0.48 0.00 0.00 55.95 58.72 3at1 s SER 123 Cb -0.12 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.47 3at1 s SER 123 CO 0.13 -1.64 0.04 -0.55 0.98 0.00 0.00 173.24 172.20 3at1 s SER 124 N -2.38 0.39 -0.01 7.02 0.15 -1.26 -0.57 113.70 117.04 3at1 s SER 124 Ca 0.69 0.06 0.08 0.00 0.70 0.00 0.00 55.95 57.47 3at1 s SER 124 Cb -0.22 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 3at1 s SER 124 CO 0.40 -0.17 -0.25 -0.36 1.20 0.00 0.00 173.24 174.06 3at1 s PHE 125 N 1.41 2.26 -0.08 3.44 0.40 -0.05 -1.60 117.98 123.76 3at1 s PHE 125 Ca -0.05 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 3at1 s PHE 125 Cb -0.13 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 3at1 s PHE 125 CO -0.03 -0.01 0.28 0.00 0.70 0.00 0.00 175.22 176.16 3at1 s ALA 126 N -0.62 3.75 -0.24 5.36 0.00 0.40 -0.76 121.76 129.65 3at1 s ALA 126 Ca 0.10 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 3at1 s ALA 126 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3at1 s ALA 126 CO -0.01 0.46 0.49 0.08 0.00 0.00 0.00 175.76 176.78 3at1 s VAL 127 N -0.75 5.10 -0.23 0.00 1.01 0.16 -1.73 120.40 123.96 3at1 s VAL 127 Ca 0.19 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 3at1 s VAL 127 Cb -0.14 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.51 3at1 s VAL 127 CO 0.08 0.14 0.12 -0.60 0.00 0.00 0.00 175.10 174.83 3at1 s ARG 128 N 1.98 0.13 -0.45 2.72 3.52 -0.42 -4.84 118.95 121.60 3at1 s ARG 128 Ca 0.21 -0.30 -0.28 0.00 -0.13 0.00 0.00 55.73 55.23 3at1 s ARG 128 Cb -0.15 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.78 3at1 s ARG 128 CO 0.09 -0.85 1.65 0.21 -0.81 0.00 0.00 175.30 175.59 3at1 s LYS 129 N 2.13 3.24 -0.07 5.12 2.20 -1.26 -0.39 119.74 130.71 3at1 s LYS 129 Ca 0.06 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.64 3at1 s LYS 129 Cb -0.16 -4.18 0.02 0.00 -1.51 0.00 0.00 37.83 32.00 3at1 s LYS 129 CO -0.24 -1.98 -0.06 0.50 -0.36 0.00 0.00 175.35 173.20 3at1 s ARG 130 N 5.75 1.16 0.93 4.03 3.00 -0.43 -4.95 118.95 128.43 3at1 s ARG 130 Ca 0.68 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 55.22 3at1 s ARG 130 Cb -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 34.95 33.64 3at1 s ARG 130 CO 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 175.30 175.47 3at1 n ALA 131 N 4.32 0.00 -0.76 6.12 0.00 -1.26 -2.15 120.51 126.78 3at1 n ALA 131 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 3at1 n ALA 131 Cb 0.51 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.06 3at1 n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3at1 n ASN 132 N 1.83 2.24 -0.63 0.00 5.03 -1.26 -5.03 115.26 117.43 3at1 n ASN 132 Ca 0.00 -2.77 0.00 0.00 0.87 0.00 0.00 54.58 52.68 3at1 n ASN 132 Cb 0.00 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 3at1 n ASN 132 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3at1 n ASP 133 N -1.16 0.00 -4.48 6.41 5.68 -0.91 -5.14 116.55 116.95 3at1 n ASP 133 Ca 0.11 -0.63 -0.31 0.00 -0.50 0.00 0.00 54.79 53.45 3at1 n ASP 133 Cb 0.53 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 3at1 n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3at1 s ILE 134 N -2.41 2.98 -0.12 2.12 1.01 -1.26 -1.32 121.20 122.20 3at1 s ILE 134 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 3at1 s ILE 134 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3at1 s ILE 134 CO 0.00 0.40 0.06 0.00 0.00 0.00 0.00 174.94 175.40 3at1 s ALA 135 N -0.89 3.51 -0.20 9.38 0.00 0.47 -0.78 121.76 133.25 3at1 s ALA 135 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3at1 s ALA 135 Cb -0.11 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.32 3at1 s ALA 135 CO 0.05 0.52 -0.07 -0.51 0.00 0.00 0.00 175.76 175.75 3at1 s LEU 136 N -0.68 2.06 -0.12 0.00 1.43 0.12 -1.30 118.68 120.19 3at1 s LEU 136 Ca 0.12 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3at1 s LEU 136 Cb -0.12 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3at1 s LEU 136 CO 0.02 -0.19 0.36 -0.75 0.23 0.00 0.00 176.35 176.03 3at1 s LYS 137 N 1.50 4.19 0.27 1.70 2.20 -0.70 -0.26 119.74 128.64 3at1 s LYS 137 Ca -0.02 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 3at1 s LYS 137 Cb -0.17 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 3at1 s LYS 137 CO -0.07 0.31 1.09 0.00 -0.36 0.00 0.00 175.35 176.32 3at1 h LYS 139 N 3.95 0.12 0.00 0.00 3.64 -1.65 -0.76 116.57 121.86 3at1 h LYS 139 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3at1 h LYS 139 Cb 1.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3at1 h LYS 139 CO 0.67 0.08 -0.07 1.88 -2.27 0.00 0.00 179.45 179.75 3at1 h TYR 140 N 0.12 0.00 0.00 1.91 0.05 -1.93 -3.39 116.97 113.72 3at1 h TYR 140 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.07 3at1 h TYR 140 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3at1 h TYR 140 CO -0.34 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 176.77 3at1 n GLU 142 N -1.84 -1.16 -3.16 0.00 1.02 -0.29 -5.01 120.64 110.20 3at1 n GLU 142 Ca 0.06 0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 57.45 3at1 n GLU 142 Cb 0.36 -4.69 -0.06 0.00 -0.02 0.00 0.00 31.44 27.04 3at1 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3at1 s LYS 143 N -2.21 4.34 -0.16 3.49 -0.14 -1.26 -4.73 119.74 119.08 3at1 s LYS 143 Ca 0.00 0.83 -0.15 0.00 -1.36 0.00 0.00 55.97 55.29 3at1 s LYS 143 Cb 0.00 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 3at1 s LYS 143 CO 0.00 0.44 0.36 -2.00 -0.76 0.00 0.00 175.35 173.39 3at1 s GLU 144 N -0.49 4.27 0.05 1.68 2.12 -1.26 -1.29 118.70 123.77 3at1 s GLU 144 Ca 0.32 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.89 3at1 s GLU 144 Cb -0.19 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 3at1 s GLU 144 CO 0.19 0.17 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.91 3at1 s PHE 145 N 0.66 0.93 0.27 5.30 0.40 0.64 -4.87 117.98 121.31 3at1 s PHE 145 Ca 0.19 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 3at1 s PHE 145 Cb -0.14 -0.54 -0.09 0.00 0.51 0.00 0.00 43.02 42.76 3at1 s PHE 145 CO 0.06 -0.01 1.24 0.45 0.70 0.00 0.00 175.22 177.66 3at1 s SER 146 N -1.51 6.97 0.59 1.36 0.15 -1.26 0.14 113.70 120.14 3at1 s SER 146 Ca -0.05 2.46 0.33 0.00 0.70 0.00 0.00 55.95 59.38 3at1 s SER 146 Cb -0.09 -2.63 1.25 0.00 -1.71 0.00 0.00 66.02 62.83 3at1 s SER 146 CO 0.01 -0.41 1.51 1.12 1.20 0.00 0.00 173.24 176.67 3at1 h HIS 147 N 4.23 0.00 -0.32 3.44 2.07 -1.30 0.56 115.15 123.82 3at1 h HIS 147 Ca -0.47 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.03 3at1 h HIS 147 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 3at1 h HIS 147 CO 0.59 0.00 0.10 -0.91 -3.07 0.00 0.00 177.93 174.64 3at1 h ASN 148 N 0.00 0.46 -0.33 3.10 4.21 -1.89 0.10 115.58 121.23 3at1 h ASN 148 Ca 0.54 -0.20 -0.04 0.00 1.21 0.00 0.00 56.30 57.81 3at1 h ASN 148 Cb 2.73 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 39.79 3at1 h ASN 148 CO -0.01 0.54 0.05 0.58 -1.29 0.00 0.00 177.43 177.30 3at1 h VAL 149 N 0.36 1.24 -0.48 2.81 2.07 -0.26 0.24 116.25 122.23 3at1 h VAL 149 Ca 0.10 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3at1 h VAL 149 Cb 0.24 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3at1 h VAL 149 CO -0.00 0.28 0.14 0.58 0.02 0.00 0.00 177.57 178.58 3at1 h VAL 150 N 0.39 1.23 0.00 2.57 2.07 -1.33 -2.55 116.25 118.63 3at1 h VAL 150 Ca 0.10 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3at1 h VAL 150 Cb 0.36 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3at1 h VAL 150 CO 0.01 0.29 -0.23 -0.07 0.02 0.00 0.00 177.57 177.58 3at1 h LEU 151 N 0.65 0.00 -1.27 2.57 3.38 -0.64 -2.97 115.31 117.03 3at1 h LEU 151 Ca 0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3at1 h LEU 151 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3at1 h LEU 151 CO -0.00 0.23 0.51 0.00 0.09 0.00 0.00 178.44 179.27 3at1 h ALA 152 N 1.77 1.53 0.00 1.53 0.00 -0.11 -3.51 119.26 120.46 3at1 h ALA 152 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3at1 h ALA 152 Cb 1.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3at1 h ALA 152 CO 0.03 0.40 0.00 0.27 0.00 0.00 0.00 179.25 179.95