#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a79 s ILE 10 N 0.00 2.10 -0.06 3.15 1.01 -0.29 -4.76 121.20 122.35 1a79 s ILE 10 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1a79 s ILE 10 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1a79 s ILE 10 CO 0.00 0.01 -0.02 -0.89 0.00 0.00 0.00 174.94 174.04 1a79 s THR 11 N -1.23 4.11 0.08 2.92 2.01 -1.26 -0.25 115.64 122.02 1a79 s THR 11 Ca 0.63 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1a79 s THR 11 Cb -0.43 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1a79 s THR 11 CO 0.54 0.54 -0.09 -0.83 -0.69 0.00 0.00 174.62 174.09 1a79 s GLY 12 N -1.06 0.72 -0.17 4.40 0.00 -0.43 -4.40 107.32 106.38 1a79 s GLY 12 Ca 0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1a79 s GLY 12 CO 0.04 -1.18 -0.10 1.08 0.00 0.00 0.00 173.10 172.94 1a79 s LEU 13 N -2.33 2.73 -0.04 0.66 1.43 -0.21 -2.45 118.68 118.48 1a79 s LEU 13 Ca 0.02 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1a79 s LEU 13 Cb -0.03 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 1a79 s LEU 13 CO -0.01 0.07 2.05 -0.11 0.23 0.00 0.00 176.35 178.58 1a79 n LEU 14 N 4.15 3.91 -3.49 1.79 7.94 -0.94 -1.87 117.00 128.49 1a79 n LEU 14 Ca -0.18 0.70 -0.27 0.00 -1.11 0.00 0.00 56.01 55.15 1a79 n LEU 14 Cb 0.52 -1.53 -0.09 0.00 0.53 0.00 0.00 43.42 42.84 1a79 n LEU 14 CO 0.29 -0.05 -0.13 -0.67 -1.11 0.00 0.00 177.39 175.73 1a79 n ASP 15 N 8.71 1.80 0.00 1.96 2.03 0.24 -4.73 116.55 126.55 1a79 n ASP 15 Ca 0.23 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1a79 n ASP 15 Cb 0.42 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1a79 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a79 n GLY 16 N 1.71 2.28 1.54 0.27 0.00 -1.26 -2.33 105.19 107.41 1a79 n GLY 16 Ca 0.25 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1a79 n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a79 n ASP 17 N 9.89 4.58 -4.08 1.61 5.75 -1.26 -4.92 116.55 128.12 1a79 n ASP 17 Ca 0.00 -2.44 -0.11 0.00 -0.01 0.00 0.00 54.79 52.23 1a79 n ASP 17 Cb 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 39.41 1a79 n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a79 s ARG 18 N -1.86 0.58 -0.22 0.11 1.81 -0.98 -3.63 118.95 114.75 1a79 s ARG 18 Ca 0.49 -0.94 0.02 0.00 -1.72 0.00 0.00 55.73 53.57 1a79 s ARG 18 Cb 0.32 -0.13 0.04 0.00 -0.45 0.00 0.00 34.95 34.73 1a79 s ARG 18 CO 0.23 -0.01 -0.14 0.08 -0.68 0.00 0.00 175.30 174.79 1a79 s VAL 19 N -2.32 2.03 -0.14 3.52 1.01 0.01 0.79 120.40 125.31 1a79 s VAL 19 Ca -0.03 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1a79 s VAL 19 Cb -0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1a79 s VAL 19 CO -0.03 0.18 0.47 -0.63 0.00 0.00 0.00 175.10 175.10 1a79 s ILE 20 N 1.22 5.18 -0.24 2.22 -1.09 -0.78 -0.54 121.20 127.17 1a79 s ILE 20 Ca -0.03 0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1a79 s ILE 20 Cb -0.17 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1a79 s ILE 20 CO -0.08 0.30 0.03 -0.69 -1.23 0.00 0.00 174.94 173.27 1a79 s VAL 21 N 0.80 4.00 -0.20 2.92 1.01 0.20 -1.04 120.40 128.08 1a79 s VAL 21 Ca 0.25 -0.28 0.12 0.00 0.00 0.00 0.00 61.98 62.07 1a79 s VAL 21 Cb -0.15 -2.85 -0.23 0.00 0.00 0.00 0.00 36.38 33.15 1a79 s VAL 21 CO 0.10 0.37 0.03 0.49 0.00 0.00 0.00 175.10 176.09 1a79 n PHE 22 N 4.87 0.11 -1.49 5.22 3.01 -1.26 -2.10 117.46 125.82 1a79 n PHE 22 Ca -0.17 0.03 -0.53 0.00 1.01 0.00 0.00 57.45 57.80 1a79 n PHE 22 Cb 0.51 -1.02 -0.05 0.00 -0.01 0.00 0.00 39.48 38.91 1a79 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1a79 n ASP 23 N -2.95 -0.08 -0.16 4.37 2.03 -1.26 -4.84 116.55 113.67 1a79 n ASP 23 Ca -0.36 1.15 -0.10 0.00 0.52 0.00 0.00 54.79 56.00 1a79 n ASP 23 Cb 1.10 -1.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1a79 n ASP 23 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1a79 h LYS 24 N 2.41 0.76 0.20 -0.67 3.64 -1.96 -1.73 116.57 119.21 1a79 h LYS 24 Ca -0.41 -0.21 -0.31 0.00 -1.27 0.00 0.00 60.65 58.44 1a79 h LYS 24 Cb 1.41 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1a79 h LYS 24 CO 0.64 0.79 -1.37 -0.97 -2.27 0.00 0.00 179.45 176.26 1a79 h ASN 25 N 0.62 0.75 -0.01 4.20 -0.00 -1.99 -2.97 115.58 116.18 1a79 h ASN 25 Ca 0.14 -0.78 0.03 0.00 -0.00 0.00 0.00 56.30 55.69 1a79 h ASN 25 Cb 0.41 -0.24 -0.06 0.00 -0.00 0.00 0.00 38.32 38.43 1a79 h ASN 25 CO 0.01 1.60 -0.46 1.23 -0.00 0.00 0.00 177.43 179.81 1a79 h GLY 26 N 0.54 -0.89 -0.07 1.57 0.00 -1.92 0.15 103.07 102.46 1a79 h GLY 26 Ca -0.21 0.56 0.17 0.00 0.00 0.00 0.00 47.33 47.85 1a79 h GLY 26 CO 0.25 -0.24 0.22 -2.22 0.00 0.00 0.00 176.54 174.55 1a79 h ILE 27 N -0.60 0.52 -0.01 2.60 2.04 -1.41 -1.61 117.51 119.05 1a79 h ILE 27 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1a79 h ILE 27 Cb 0.68 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1a79 h ILE 27 CO -0.34 0.06 -0.23 -1.28 0.00 0.00 0.00 178.15 176.35 1a79 h SER 28 N 0.31 -0.68 0.05 1.72 0.87 -0.87 0.14 113.55 115.09 1a79 h SER 28 Ca 0.43 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1a79 h SER 28 Cb 0.75 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1a79 h SER 28 CO -0.50 -0.30 -0.02 0.11 -0.53 0.00 0.00 176.83 175.59 1a79 h LYS 29 N -0.36 -0.06 -0.62 2.24 1.57 -0.18 -1.79 116.57 117.37 1a79 h LYS 29 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1a79 h LYS 29 Cb 0.44 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1a79 h LYS 29 CO -0.21 -0.03 0.29 -0.07 -0.57 0.00 0.00 179.45 178.86 1a79 h LEU 30 N -0.08 0.81 -1.77 2.94 3.38 -1.31 -2.34 115.31 116.94 1a79 h LEU 30 Ca -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1a79 h LEU 30 Cb 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1a79 h LEU 30 CO 0.01 0.72 -0.15 0.28 0.09 0.00 0.00 178.44 179.40 1a79 h SER 31 N 0.85 0.00 -0.24 -0.43 0.02 -0.61 0.14 113.55 113.28 1a79 h SER 31 Ca 0.21 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1a79 h SER 31 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1a79 h SER 31 CO -0.03 0.15 -0.27 0.00 -1.14 0.00 0.00 176.83 175.54 1a79 h ALA 32 N 1.85 0.85 0.00 3.77 0.00 -0.77 -2.23 119.26 122.73 1a79 h ALA 32 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1a79 h ALA 32 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a79 h ALA 32 CO 0.02 0.63 -0.45 -2.13 0.00 0.00 0.00 179.25 177.33 1a79 n ARG 33 N -4.09 0.02 -2.08 0.00 0.00 -0.90 -4.97 116.66 104.63 1a79 n ARG 33 Ca -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1a79 n ARG 33 Cb 0.46 -1.51 0.01 0.00 0.00 0.00 0.00 32.46 31.41 1a79 n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1a79 n HIS 34 N -1.54 -0.21 -4.16 -0.14 8.25 0.28 -4.97 115.22 112.73 1a79 n HIS 34 Ca 0.06 0.09 -0.35 0.00 -0.26 0.00 0.00 57.72 57.25 1a79 n HIS 34 Cb 0.34 -2.34 -0.09 0.00 1.12 0.00 0.00 29.99 29.03 1a79 n HIS 34 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1a79 s TYR 35 N -3.03 3.31 0.19 4.41 2.02 0.04 -4.91 117.35 119.36 1a79 s TYR 35 Ca 0.00 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1a79 s TYR 35 Cb -0.00 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1a79 s TYR 35 CO 0.07 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 1a79 n GLY 36 N 2.39 -1.63 3.54 0.71 0.00 -1.26 -4.40 105.19 104.54 1a79 n GLY 36 Ca -0.19 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1a79 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a79 s ASN 37 N -4.86 4.18 -0.40 1.61 2.20 -0.39 -4.93 114.94 112.34 1a79 s ASN 37 Ca 0.00 -0.46 -0.12 0.00 -0.94 0.00 0.00 52.86 51.35 1a79 s ASN 37 Cb 0.00 -0.72 0.05 0.00 -2.00 0.00 0.00 41.25 38.58 1a79 s ASN 37 CO 0.00 0.18 0.26 -0.69 -2.94 0.00 0.00 177.10 173.91 1a79 s VAL 38 N -1.18 4.67 0.07 3.54 1.01 -1.26 -1.47 120.40 125.78 1a79 s VAL 38 Ca 0.20 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1a79 s VAL 38 Cb -0.11 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1a79 s VAL 38 CO 0.12 -0.36 -0.21 -1.83 0.00 0.00 0.00 175.10 172.81 1a79 s GLU 39 N 1.55 1.86 4.67 2.72 -1.05 -1.22 -5.00 118.70 122.22 1a79 s GLU 39 Ca 0.03 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1a79 s GLU 39 Cb -0.21 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 1a79 s GLU 39 CO 0.06 0.51 0.00 0.41 0.95 0.00 0.00 175.26 177.19 1a79 n GLY 40 N 1.39 3.45 0.00 -3.83 0.00 -1.26 -1.98 105.19 102.95 1a79 n GLY 40 Ca -0.16 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1a79 n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a79 n ASN 41 N 6.04 1.79 -1.69 1.61 3.02 -1.26 -5.04 115.26 119.73 1a79 n ASN 41 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1a79 n ASN 41 Cb 0.00 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1a79 n ASN 41 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1a79 n PHE 42 N -1.64 -2.21 -3.75 3.10 -1.74 -0.84 -5.01 117.46 105.38 1a79 n PHE 42 Ca -0.01 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.69 1a79 n PHE 42 Cb 0.23 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.06 1a79 n PHE 42 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1a79 s LEU 43 N 0.00 0.49 -0.23 5.98 2.96 -0.89 -3.44 118.68 123.55 1a79 s LEU 43 Ca 0.00 0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1a79 s LEU 43 Cb 0.00 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.42 1a79 s LEU 43 CO 0.00 -0.20 0.13 -0.55 -1.32 0.00 0.00 176.35 174.41 1a79 s SER 44 N 1.85 5.91 0.13 3.68 0.15 -0.54 -0.63 113.70 124.25 1a79 s SER 44 Ca 0.02 0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.79 1a79 s SER 44 Cb -0.12 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1a79 s SER 44 CO -0.03 0.07 -0.01 -0.76 1.20 0.00 0.00 173.24 173.70 1a79 s LEU 45 N 1.02 3.35 0.52 3.45 1.43 0.30 -1.27 118.68 127.48 1a79 s LEU 45 Ca 0.06 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1a79 s LEU 45 Cb -0.14 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1a79 s LEU 45 CO 0.04 0.14 0.84 -0.94 0.23 0.00 0.00 176.35 176.65 1a79 s SER 46 N -2.57 6.17 0.36 2.29 1.04 -1.26 -0.81 113.70 118.92 1a79 s SER 46 Ca 0.26 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.69 1a79 s SER 46 Cb -0.11 -2.21 0.66 0.00 0.10 0.00 0.00 66.02 64.46 1a79 s SER 46 CO 0.18 -0.68 2.02 -0.07 0.98 0.00 0.00 173.24 175.66 1a79 h LEU 47 N 0.09 0.71 -0.32 2.42 4.07 -1.94 0.11 115.31 120.45 1a79 h LEU 47 Ca -0.46 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.29 1a79 h LEU 47 Cb 1.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1a79 h LEU 47 CO 0.62 0.51 -0.66 0.58 -1.08 0.00 0.00 178.44 178.41 1a79 h VAL 48 N 0.83 1.30 0.22 1.22 2.07 -1.94 -1.60 116.25 118.36 1a79 h VAL 48 Ca 0.23 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1a79 h VAL 48 Cb -0.10 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1a79 h VAL 48 CO -0.05 0.60 -0.10 -0.33 0.02 0.00 0.00 177.57 177.71 1a79 h GLU 49 N 0.50 -0.28 -0.98 1.57 5.08 -1.79 -1.08 114.58 117.61 1a79 h GLU 49 Ca -0.02 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1a79 h GLU 49 Cb 1.26 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1a79 h GLU 49 CO 0.13 -0.10 0.63 0.00 -1.00 0.00 0.00 179.01 178.67 1a79 h ALA 50 N 0.35 1.36 -0.62 3.43 0.00 -0.81 0.23 119.26 123.20 1a79 h ALA 50 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1a79 h ALA 50 Cb 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a79 h ALA 50 CO 0.05 0.40 0.08 -0.07 0.00 0.00 0.00 179.25 179.71 1a79 h LEU 51 N 1.13 0.98 0.06 0.00 3.38 -1.09 -0.40 115.31 119.37 1a79 h LEU 51 Ca 0.43 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a79 h LEU 51 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1a79 h LEU 51 CO -0.18 0.98 -0.03 0.22 0.09 0.00 0.00 178.44 179.52 1a79 h TYR 52 N 0.96 -0.08 -0.70 1.13 3.20 -0.01 -1.17 116.97 120.31 1a79 h TYR 52 Ca 0.19 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1a79 h TYR 52 Cb 0.44 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1a79 h TYR 52 CO 0.03 0.28 0.46 -0.07 -1.64 0.00 0.00 178.16 177.22 1a79 h LEU 53 N -0.44 0.53 -0.39 2.82 -0.00 -0.45 0.42 115.31 117.79 1a79 h LEU 53 Ca -0.01 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 1a79 h LEU 53 Cb 0.39 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1a79 h LEU 53 CO 0.01 0.32 -0.23 0.40 -0.00 0.00 0.00 178.44 178.95 1a79 h ILE 54 N 0.59 1.28 -0.17 1.22 2.04 -0.95 -1.58 117.51 119.93 1a79 h ILE 54 Ca 0.32 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1a79 h ILE 54 Cb 0.46 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1a79 h ILE 54 CO -0.11 0.46 -0.09 -1.13 0.00 0.00 0.00 178.15 177.28 1a79 h ASN 55 N 0.66 0.25 0.64 1.72 -0.73 0.38 -1.85 115.58 116.65 1a79 h ASN 55 Ca 0.08 -0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.10 1a79 h ASN 55 Cb 0.79 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 1a79 h ASN 55 CO 0.07 0.38 -0.53 -0.07 -0.37 0.00 0.00 177.43 176.91 1a79 h LEU 56 N 0.26 0.00 0.00 0.34 3.38 0.02 -3.47 115.31 115.84 1a79 h LEU 56 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a79 h LEU 56 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1a79 h LEU 56 CO 0.02 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1a79 n GLY 57 N 0.16 0.57 0.15 0.83 0.00 -0.70 -4.98 105.19 101.22 1a79 n GLY 57 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1a79 n GLY 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1a79 h TRP 58 N 0.00 0.88 -2.52 1.61 4.06 -1.53 -3.46 115.95 114.99 1a79 h TRP 58 Ca 0.00 -0.64 -0.55 0.00 2.06 0.00 0.00 58.89 59.76 1a79 h TRP 58 Cb 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 28.06 1a79 h TRP 58 CO 0.00 1.60 -0.56 -1.17 -3.56 0.00 0.00 178.44 174.75 1a79 s LEU 59 N -7.51 3.74 -0.21 -4.49 2.96 -0.85 -1.14 118.68 111.18 1a79 s LEU 59 Ca -0.12 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1a79 s LEU 59 Cb 0.04 -2.32 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1a79 s LEU 59 CO 0.91 0.03 0.09 -0.70 -1.32 0.00 0.00 176.35 175.36 1a79 s GLU 60 N -3.37 0.24 -0.02 1.98 2.12 0.66 -4.40 118.70 115.90 1a79 s GLU 60 Ca 0.31 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.32 1a79 s GLU 60 Cb -0.09 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 1a79 s GLU 60 CO 0.23 -0.75 0.16 0.08 -0.54 0.00 0.00 175.26 174.44 1a79 s VAL 61 N 2.05 5.33 -0.10 3.70 1.01 -1.26 -1.31 120.40 129.81 1a79 s VAL 61 Ca 0.03 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1a79 s VAL 61 Cb -0.16 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.80 1a79 s VAL 61 CO -0.16 0.37 0.41 -1.59 0.00 0.00 0.00 175.10 174.13 1a79 s LYS 62 N -1.79 0.60 -0.64 2.72 -2.85 -1.02 0.62 119.74 117.37 1a79 s LYS 62 Ca 0.25 0.30 -0.22 0.00 -1.00 0.00 0.00 55.97 55.30 1a79 s LYS 62 Cb -0.12 0.28 0.07 0.00 -2.06 0.00 0.00 37.83 36.00 1a79 s LYS 62 CO 0.16 -0.12 0.91 -0.47 0.10 0.00 0.00 175.35 175.93 1a79 s TYR 63 N -0.41 2.74 0.00 1.78 5.04 -1.26 -2.22 117.35 123.03 1a79 s TYR 63 Ca -0.05 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1a79 s TYR 63 Cb -0.03 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1a79 s TYR 63 CO 0.03 -1.55 0.00 1.63 -1.34 0.00 0.00 175.55 174.31 1a79 n LYS 64 N 7.42 0.00 -0.23 4.97 5.02 -1.26 -2.43 118.16 131.65 1a79 n LYS 64 Ca -0.04 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.32 1a79 n LYS 64 Cb 0.45 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 35.80 1a79 n LYS 64 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1a79 h ASP 65 N 3.68 0.71 -2.43 4.39 1.82 -2.03 -3.45 116.42 119.10 1a79 h ASP 65 Ca 0.00 0.02 -0.55 0.00 -0.39 0.00 0.00 57.03 56.11 1a79 h ASP 65 Cb 0.00 -0.13 0.23 0.00 0.68 0.00 0.00 39.33 40.11 1a79 h ASP 65 CO 0.00 0.42 -1.41 0.59 -1.61 0.00 0.00 179.24 177.24 1a79 n ASN 66 N -4.51 -4.61 -4.76 2.28 3.02 -1.02 -4.90 115.26 100.76 1a79 n ASN 66 Ca 0.13 0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 54.63 1a79 n ASN 66 Cb 0.31 -0.91 0.06 0.00 -0.61 0.00 0.00 39.78 38.63 1a79 n ASN 66 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a79 s LYS 67 N -2.41 2.64 0.56 3.52 -0.14 -1.26 -4.53 119.74 118.12 1a79 s LYS 67 Ca 0.47 1.39 -0.19 0.00 -1.36 0.00 0.00 55.97 56.28 1a79 s LYS 67 Cb -0.22 -1.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.93 1a79 s LYS 67 CO 0.77 -1.38 0.75 -2.30 -0.76 0.00 0.00 175.35 172.42 1a79 n PRO 68 N -2.64 0.75 -3.27 -1.68 -0.02 -1.26 -4.49 135.00 122.38 1a79 n PRO 68 Ca 0.10 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 1a79 n PRO 68 Cb 0.52 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1a79 n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a79 s LEU 69 N -0.41 4.13 0.55 2.45 1.43 0.20 -4.94 118.68 122.10 1a79 s LEU 69 Ca 0.71 1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 54.88 1a79 s LEU 69 Cb -0.45 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 41.92 1a79 s LEU 69 CO 0.52 -0.13 0.84 -0.94 0.23 0.00 0.00 176.35 176.87 1a79 s SER 70 N -2.27 5.64 0.28 2.29 1.04 -1.26 -4.61 113.70 114.81 1a79 s SER 70 Ca 0.50 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.53 1a79 s SER 70 Cb -0.11 -1.64 0.60 0.00 0.10 0.00 0.00 66.02 64.97 1a79 s SER 70 CO 0.19 -0.97 1.78 0.15 0.98 0.00 0.00 173.24 175.37 1a79 h PHE 71 N -0.02 0.95 -0.50 5.02 3.04 -1.97 0.22 116.94 123.67 1a79 h PHE 71 Ca -0.45 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.45 1a79 h PHE 71 Cb 1.26 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1a79 h PHE 71 CO 0.46 0.26 0.01 1.49 -2.02 0.00 0.00 178.31 178.52 1a79 h GLU 72 N 0.75 0.88 -0.00 1.11 4.81 -1.98 -0.89 114.58 119.26 1a79 h GLU 72 Ca 0.51 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1a79 h GLU 72 Cb 0.69 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1a79 h GLU 72 CO -0.34 0.91 0.00 0.93 -0.73 0.00 0.00 179.01 179.78 1a79 h GLU 73 N 0.75 0.01 -0.59 1.92 5.08 -1.44 0.32 114.58 120.62 1a79 h GLU 73 Ca 0.14 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1a79 h GLU 73 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1a79 h GLU 73 CO 0.02 0.12 0.15 1.25 -1.00 0.00 0.00 179.01 179.55 1a79 h LEU 74 N -0.10 0.85 -0.13 1.33 5.85 -1.02 -0.92 115.31 121.18 1a79 h LEU 74 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1a79 h LEU 74 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1a79 h LEU 74 CO -0.00 0.83 0.05 0.22 -0.34 0.00 0.00 178.44 179.19 1a79 h TYR 75 N 0.88 0.20 -0.78 1.25 5.03 -0.92 0.60 116.97 123.23 1a79 h TYR 75 Ca 0.19 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.64 1a79 h TYR 75 Cb 0.31 -0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.43 1a79 h TYR 75 CO 0.02 0.30 0.31 0.93 -1.32 0.00 0.00 178.16 178.40 1a79 h GLU 76 N 0.04 0.41 0.37 1.82 3.07 0.12 0.29 114.58 120.70 1a79 h GLU 76 Ca 0.04 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1a79 h GLU 76 Cb 0.19 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1a79 h GLU 76 CO -0.00 0.27 -0.18 -0.92 -1.40 0.00 0.00 179.01 176.78 1a79 h TYR 77 N 0.43 -0.46 -0.82 4.33 3.20 -0.72 -3.29 116.97 119.64 1a79 h TYR 77 Ca 0.44 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.50 1a79 h TYR 77 Cb 0.71 0.15 -0.13 0.00 1.54 0.00 0.00 36.73 39.00 1a79 h TYR 77 CO -0.17 -0.29 0.16 0.00 -1.64 0.00 0.00 178.16 176.23 1a79 h ALA 78 N -1.38 1.07 -0.40 1.82 0.00 0.51 0.09 119.26 120.98 1a79 h ALA 78 Ca -0.05 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1a79 h ALA 78 Cb 0.38 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1a79 h ALA 78 CO 0.08 -0.42 0.27 0.07 0.00 0.00 0.00 179.25 179.25 1a79 h ARG 79 N 0.20 0.34 -0.69 0.00 0.11 -0.54 0.69 114.38 114.49 1a79 h ARG 79 Ca 0.48 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.54 1a79 h ARG 79 Cb 0.91 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1a79 h ARG 79 CO -0.62 0.22 0.00 0.09 0.10 0.00 0.00 179.97 179.76 1a79 n ASN 80 N -4.48 3.13 0.08 0.08 5.03 0.01 -4.29 115.26 114.82 1a79 n ASN 80 Ca 0.05 -2.37 0.00 0.00 0.87 0.00 0.00 54.58 53.13 1a79 n ASN 80 Cb 0.21 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1a79 n ASN 80 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1a79 n VAL 81 N 0.39 0.57 -2.63 2.41 0.31 0.10 -5.09 118.33 114.39 1a79 n VAL 81 Ca 0.14 0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 64.37 1a79 n VAL 81 Cb 0.65 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 1a79 n VAL 81 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1a79 s GLU 82 N -1.85 3.64 0.08 5.55 2.12 0.20 -5.08 118.70 123.36 1a79 s GLU 82 Ca 0.00 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.71 1a79 s GLU 82 Cb 0.00 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1a79 s GLU 82 CO 0.00 -0.18 0.18 -2.00 -0.54 0.00 0.00 175.26 172.71 1a79 s GLU 83 N -4.45 3.26 -1.09 4.30 -6.30 -1.26 -4.40 118.70 108.76 1a79 s GLU 83 Ca 0.50 -0.54 -0.02 0.00 -2.50 0.00 0.00 54.97 52.40 1a79 s GLU 83 Cb -0.10 -2.93 0.01 0.00 0.00 0.00 0.00 34.13 31.11 1a79 s GLU 83 CO 0.41 0.58 0.12 0.54 0.02 0.00 0.00 175.26 176.93 1a79 n ARG 84 N 0.22 -2.58 -0.11 4.30 1.74 -1.26 -4.85 116.66 114.12 1a79 n ARG 84 Ca -0.06 0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 57.46 1a79 n ARG 84 Cb 0.52 -5.20 -0.08 0.00 -1.02 0.00 0.00 32.46 26.68 1a79 n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1a79 h LEU 85 N -0.24 -1.68 -0.96 0.55 5.85 -1.93 0.16 115.31 117.07 1a79 h LEU 85 Ca -0.32 0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1a79 h LEU 85 Cb 1.23 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1a79 h LEU 85 CO 0.38 -0.40 0.59 0.00 -0.34 0.00 0.00 178.44 178.66 1a79 h LEU 87 N 0.93 -0.90 -1.12 0.00 5.85 -1.48 -0.78 115.31 117.82 1a79 h LEU 87 Ca 0.47 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.24 1a79 h LEU 87 Cb 0.47 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1a79 h LEU 87 CO -0.27 -0.62 0.60 0.11 -0.34 0.00 0.00 178.44 177.92 1a79 h LYS 88 N -1.11 1.16 -0.22 1.25 1.57 -0.46 -2.79 116.57 115.97 1a79 h LYS 88 Ca -0.11 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1a79 h LYS 88 Cb 0.81 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1a79 h LYS 88 CO 0.18 0.77 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.89 1a79 h TYR 89 N 1.19 0.44 -0.93 -1.35 3.20 -0.25 -0.77 116.97 118.50 1a79 h TYR 89 Ca 0.34 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1a79 h TYR 89 Cb -0.08 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 1a79 h TYR 89 CO -0.00 0.60 0.61 -0.07 -1.64 0.00 0.00 178.16 177.66 1a79 h LEU 90 N 0.16 1.01 0.01 2.82 3.38 -0.93 -0.91 115.31 120.84 1a79 h LEU 90 Ca 0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1a79 h LEU 90 Cb 0.43 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1a79 h LEU 90 CO 0.01 0.68 -0.31 0.58 0.09 0.00 0.00 178.44 179.50 1a79 h VAL 91 N 1.16 1.54 -0.08 1.22 2.07 -1.46 -3.08 116.25 117.64 1a79 h VAL 91 Ca 0.38 -2.01 0.04 0.00 0.82 0.00 0.00 66.70 65.92 1a79 h VAL 91 Cb 0.03 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1a79 h VAL 91 CO -0.12 0.55 -0.21 0.22 0.02 0.00 0.00 177.57 178.04 1a79 h TYR 92 N -0.48 -0.56 -0.52 1.57 5.03 -0.97 0.35 116.97 121.39 1a79 h TYR 92 Ca -0.04 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.39 1a79 h TYR 92 Cb 1.08 0.26 -0.08 0.00 1.55 0.00 0.00 36.73 39.54 1a79 h TYR 92 CO 0.18 -0.29 0.08 -0.22 -1.32 0.00 0.00 178.16 176.59 1a79 h LYS 93 N -0.30 0.20 -0.14 1.82 3.64 -1.28 0.83 116.57 121.34 1a79 h LYS 93 Ca 0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1a79 h LYS 93 Cb 0.42 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1a79 h LYS 93 CO -0.25 0.13 0.02 0.22 -2.27 0.00 0.00 179.45 177.31 1a79 h ASP 94 N 0.21 -0.00 -0.28 4.20 3.58 -1.25 0.26 116.42 123.13 1a79 h ASP 94 Ca 0.27 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 1a79 h ASP 94 Cb 0.38 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1a79 h ASP 94 CO -0.37 0.02 -0.06 -0.07 -2.88 0.00 0.00 179.24 175.88 1a79 h LEU 95 N 0.08 0.63 -0.60 2.28 3.38 -0.51 0.02 115.31 120.58 1a79 h LEU 95 Ca 0.06 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1a79 h LEU 95 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1a79 h LEU 95 CO -0.09 0.74 -0.25 -0.09 0.09 0.00 0.00 178.44 178.84 1a79 h ARG 96 N 0.60 0.85 -0.04 1.13 9.65 -0.41 -2.13 114.38 124.03 1a79 h ARG 96 Ca 0.12 -0.37 -0.08 0.00 -1.10 0.00 0.00 59.98 58.55 1a79 h ARG 96 Cb 0.47 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1a79 h ARG 96 CO 0.02 1.00 -0.36 1.15 2.80 0.00 0.00 179.97 184.59 1a79 h THR 97 N 0.73 1.27 -0.00 0.20 2.02 0.12 -2.23 112.91 115.02 1a79 h THR 97 Ca 0.09 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1a79 h THR 97 Cb 0.79 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1a79 h THR 97 CO 0.07 0.37 0.00 0.54 0.37 0.00 0.00 175.52 176.87 1a79 n ARG 98 N -4.10 1.01 -1.83 6.66 1.74 -0.06 -4.90 116.66 115.18 1a79 n ARG 98 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1a79 n ARG 98 Cb 0.41 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1a79 n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a79 n GLY 99 N 0.95 0.53 3.37 -0.13 0.00 -0.84 -5.05 105.19 104.02 1a79 n GLY 99 Ca 0.21 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1a79 n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a79 s TYR 100 N -2.78 2.15 -0.98 1.61 2.02 -0.84 -4.20 117.35 114.32 1a79 s TYR 100 Ca 0.00 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.15 1a79 s TYR 100 Cb 0.00 -1.13 0.18 0.00 -0.40 0.00 0.00 41.96 40.61 1a79 s TYR 100 CO 0.00 0.35 1.09 0.42 -1.57 0.00 0.00 175.55 175.84 1a79 s ILE 101 N -1.33 5.15 -0.18 2.71 1.01 -1.25 -4.48 121.20 122.83 1a79 s ILE 101 Ca 0.14 -2.22 -0.29 0.00 0.00 0.00 0.00 60.65 58.28 1a79 s ILE 101 Cb -0.09 -4.71 -0.01 0.00 0.01 0.00 0.00 42.46 37.66 1a79 s ILE 101 CO 0.07 -1.37 1.25 -0.69 0.00 0.00 0.00 174.94 174.20 1a79 s VAL 102 N 1.39 4.29 0.36 2.92 1.01 -1.26 -3.35 120.40 125.76 1a79 s VAL 102 Ca 0.31 1.56 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1a79 s VAL 102 Cb -0.06 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1a79 s VAL 102 CO -0.07 -0.16 0.08 -0.54 0.00 0.00 0.00 175.10 174.40 1a79 s LYS 103 N 3.53 1.78 0.71 2.72 -0.14 -0.56 -4.98 119.74 122.80 1a79 s LYS 103 Ca 0.54 -2.03 -0.15 0.00 -1.36 0.00 0.00 55.97 52.97 1a79 s LYS 103 Cb -0.21 -0.83 0.03 0.00 -1.68 0.00 0.00 37.83 35.14 1a79 s LYS 103 CO 0.15 -0.29 1.21 -0.08 -0.76 0.00 0.00 175.35 175.57 1a79 s THR 104 N -3.24 2.38 -0.74 2.17 -1.32 -1.26 0.02 115.64 113.64 1a79 s THR 104 Ca 0.31 0.19 0.06 0.00 -1.21 0.00 0.00 61.69 61.04 1a79 s THR 104 Cb 0.06 -2.80 0.04 0.00 -1.51 0.00 0.00 72.50 68.29 1a79 s THR 104 CO 0.14 -0.09 0.65 0.61 -2.21 0.00 0.00 174.62 173.72 1a79 n GLY 105 N 0.37 -0.67 0.27 6.08 0.00 -0.89 -3.29 105.19 107.06 1a79 n GLY 105 Ca 0.13 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1a79 n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a79 n LEU 106 N 0.18 -0.10 0.00 0.99 0.00 -0.93 0.98 117.00 118.13 1a79 n LEU 106 Ca 0.03 1.33 0.04 0.00 0.00 0.00 0.00 56.01 57.42 1a79 n LEU 106 Cb 0.15 -0.48 0.18 0.00 0.00 0.00 0.00 43.42 43.27 1a79 n LEU 106 CO 0.05 -1.35 0.62 1.17 0.00 0.00 0.00 177.39 177.88 1a79 n LYS 107 N -5.11 0.02 0.00 1.96 0.00 -1.26 -2.53 118.16 111.24 1a79 n LYS 107 Ca 0.18 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.83 1a79 n LYS 107 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.13 1a79 n LYS 107 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a79 n TYR 108 N -1.47 0.00 -0.32 5.64 4.01 0.28 -4.98 117.16 120.31 1a79 n TYR 108 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1a79 n TYR 108 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1a79 n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a79 n GLY 109 N 0.64 0.69 3.97 2.72 0.00 -0.78 -4.96 105.19 107.47 1a79 n GLY 109 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1a79 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a79 s ALA 110 N -2.53 3.94 -0.06 4.61 0.00 -0.92 -4.93 121.76 121.88 1a79 s ALA 110 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 1a79 s ALA 110 Cb 0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 23.12 20.86 1a79 s ALA 110 CO 0.00 -0.35 0.94 -0.44 0.00 0.00 0.00 175.76 175.91 1a79 h ASP 111 N 0.47 0.32 -4.05 0.00 3.32 -0.87 -2.46 116.42 113.15 1a79 h ASP 111 Ca -0.45 -0.88 -0.33 0.00 0.02 0.00 0.00 57.03 55.39 1a79 h ASP 111 Cb 1.26 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1a79 h ASP 111 CO 0.55 1.17 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.19 1a79 s PHE 112 N -2.71 1.33 -0.06 4.55 0.08 -0.88 -2.09 117.98 118.20 1a79 s PHE 112 Ca -0.15 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.06 1a79 s PHE 112 Cb 0.01 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.75 1a79 s PHE 112 CO 0.78 -0.01 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.82 1a79 s ARG 113 N -3.81 1.29 0.08 0.44 1.70 0.10 -0.33 118.95 118.41 1a79 s ARG 113 Ca 0.21 -0.26 0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1a79 s ARG 113 Cb 0.04 -1.15 -0.04 0.00 -0.57 0.00 0.00 34.95 33.24 1a79 s ARG 113 CO 0.03 -0.03 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.70 1a79 s LEU 114 N 0.81 3.44 -0.12 -1.89 1.43 0.12 -1.49 118.68 120.98 1a79 s LEU 114 Ca -0.12 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1a79 s LEU 114 Cb -0.15 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1a79 s LEU 114 CO 0.02 0.19 -0.12 -0.31 0.23 0.00 0.00 176.35 176.35 1a79 s TYR 115 N -1.28 2.82 0.04 0.29 2.02 -1.21 0.10 117.35 120.13 1a79 s TYR 115 Ca 0.25 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 56.15 1a79 s TYR 115 Cb -0.12 -1.83 -0.14 0.00 -0.40 0.00 0.00 41.96 39.48 1a79 s TYR 115 CO 0.17 -0.13 0.66 -1.91 -1.57 0.00 0.00 175.55 172.77 1a79 n GLU 116 N 3.35 0.00 0.00 -0.62 4.07 -1.26 -3.92 120.64 122.25 1a79 n GLU 116 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 1a79 n GLU 116 Cb 0.53 -0.98 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 1a79 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1a79 n ARG 117 N 0.98 0.00 -0.44 5.31 5.12 -1.26 -3.91 116.66 122.46 1a79 n ARG 117 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1a79 n ARG 117 Cb 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.39 1a79 n ARG 117 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a79 n GLY 118 N 0.00 0.86 2.50 -0.13 0.00 -1.26 -3.89 105.19 103.27 1a79 n GLY 118 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1a79 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a79 n ALA 119 N 0.00 3.13 -2.47 4.61 0.00 -1.25 -5.04 120.51 119.48 1a79 n ALA 119 Ca 0.00 -3.92 -0.26 0.00 0.00 0.00 0.00 53.44 49.26 1a79 n ALA 119 Cb 0.53 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 1a79 n ALA 119 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a79 s ASN 120 N -2.87 2.66 0.00 0.00 0.01 -1.26 -5.08 114.94 108.39 1a79 s ASN 120 Ca 0.43 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1a79 s ASN 120 Cb 0.33 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1a79 s ASN 120 CO -0.10 0.15 0.00 -0.38 -1.51 0.00 0.00 177.10 175.25 1a79 n ILE 121 N 1.54 0.00 0.19 0.60 5.41 -1.26 -4.98 119.36 120.86 1a79 n ILE 121 Ca -0.18 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.61 1a79 n ILE 121 Cb 0.53 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.41 1a79 n ILE 121 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1a79 n ASP 122 N 0.00 1.72 0.00 4.38 8.00 -1.26 -4.20 116.55 125.19 1a79 n ASP 122 Ca 0.00 -0.35 0.12 0.00 0.71 0.00 0.00 54.79 55.27 1a79 n ASP 122 Cb 0.00 1.18 0.24 0.00 -0.02 0.00 0.00 41.12 42.52 1a79 n ASP 122 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a79 n LYS 123 N -1.48 0.02 -4.14 -1.24 4.76 -1.26 -4.78 118.16 110.04 1a79 n LYS 123 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.10 1a79 n LYS 123 Cb 0.17 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 31.75 1a79 n LYS 123 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1a79 s GLU 124 N -3.01 3.59 0.52 1.97 2.02 -1.26 -5.11 118.70 117.42 1a79 s GLU 124 Ca 0.11 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.71 1a79 s GLU 124 Cb 0.17 -3.05 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 1a79 s GLU 124 CO 0.71 0.46 0.79 -1.01 0.02 0.00 0.00 175.26 176.23 1a79 s HIS 125 N -0.18 3.28 0.26 1.61 3.76 -1.26 -4.52 115.29 118.24 1a79 s HIS 125 Ca 0.07 0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 55.18 1a79 s HIS 125 Cb -0.12 -2.51 -0.09 0.00 1.11 0.00 0.00 32.58 30.97 1a79 s HIS 125 CO 0.02 -0.57 1.00 -1.54 -0.85 0.00 0.00 174.74 172.80 1a79 s SER 126 N -4.24 7.49 -0.14 1.40 1.04 -1.26 -4.62 113.70 113.37 1a79 s SER 126 Ca 0.51 2.06 0.11 0.00 0.48 0.00 0.00 55.95 59.11 1a79 s SER 126 Cb -0.10 -2.61 -0.23 0.00 0.10 0.00 0.00 66.02 63.17 1a79 s SER 126 CO 0.42 0.04 0.30 0.55 0.98 0.00 0.00 173.24 175.53 1a79 n VAL 127 N 1.33 1.53 -4.41 5.02 3.14 0.29 -4.94 118.33 120.28 1a79 n VAL 127 Ca -0.01 -0.78 -0.23 0.00 -2.96 0.00 0.00 64.34 60.35 1a79 n VAL 127 Cb 0.46 -0.93 -0.11 0.00 -1.06 0.00 0.00 33.84 32.21 1a79 n VAL 127 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1a79 s TYR 128 N -2.54 2.11 -0.04 1.45 1.51 -1.05 -2.03 117.35 116.76 1a79 s TYR 128 Ca -0.12 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1a79 s TYR 128 Cb 0.07 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1a79 s TYR 128 CO 0.80 0.54 -0.23 -0.51 -1.11 0.00 0.00 175.55 175.04 1a79 s LEU 129 N -3.13 2.23 -0.07 -1.29 1.43 -0.43 -0.71 118.68 116.73 1a79 s LEU 129 Ca 0.24 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1a79 s LEU 129 Cb -0.05 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1a79 s LEU 129 CO 0.11 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.12 1a79 s VAL 130 N -0.46 1.52 -0.18 -1.59 1.01 0.55 -0.03 120.40 121.23 1a79 s VAL 130 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1a79 s VAL 130 Cb -0.12 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.97 1a79 s VAL 130 CO 0.01 0.44 -0.11 -0.75 0.00 0.00 0.00 175.10 174.69 1a79 s LYS 131 N 0.36 2.03 0.14 2.72 2.36 -0.86 -0.22 119.74 126.26 1a79 s LYS 131 Ca -0.12 -0.69 -0.19 0.00 -2.55 0.00 0.00 55.97 52.42 1a79 s LYS 131 Cb -0.15 -2.24 -0.07 0.00 -1.05 0.00 0.00 37.83 34.32 1a79 s LYS 131 CO 0.05 -0.36 0.63 0.14 1.55 0.00 0.00 175.35 177.36 1a79 s VAL 132 N 1.47 4.68 -0.02 4.02 -7.23 -1.26 -1.74 120.40 120.31 1a79 s VAL 132 Ca 0.01 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 1a79 s VAL 132 Cb -0.15 -3.88 0.02 0.00 0.56 0.00 0.00 36.38 32.94 1a79 s VAL 132 CO -0.09 0.39 0.00 -0.36 -0.31 0.00 0.00 175.10 174.73 1a79 s PHE 133 N -1.30 0.27 0.12 2.82 0.08 0.01 -4.96 117.98 115.01 1a79 s PHE 133 Ca 0.35 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 1a79 s PHE 133 Cb -0.18 -0.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.85 1a79 s PHE 133 CO 0.20 -0.11 0.96 -1.25 -0.10 0.00 0.00 175.22 174.92 1a79 s PRO 134 N 0.90 4.70 0.16 0.24 0.04 -1.26 -1.34 135.00 138.44 1a79 s PRO 134 Ca -0.09 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1a79 s PRO 134 Cb -0.12 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 31.11 1a79 s PRO 134 CO -0.02 0.23 1.62 1.49 0.04 0.00 0.00 177.00 180.37 1a79 h GLU 135 N 5.50 -0.20 0.00 4.56 4.81 -1.71 -3.06 114.58 124.47 1a79 h GLU 135 Ca -0.43 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1a79 h GLU 135 Cb 1.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1a79 h GLU 135 CO 0.72 -0.14 0.00 -0.25 -0.73 0.00 0.00 179.01 178.61 1a79 n ASP 136 N -5.39 0.00 -4.54 1.04 8.00 -1.26 -4.76 116.55 109.64 1a79 n ASP 136 Ca 0.01 -1.75 -0.34 0.00 0.71 0.00 0.00 54.79 53.41 1a79 n ASP 136 Cb 0.30 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.29 1a79 n ASP 136 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a79 s SER 137 N -1.19 5.18 0.42 -2.24 0.01 -1.16 -5.10 113.70 109.63 1a79 s SER 137 Ca 0.06 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.22 1a79 s SER 137 Cb 0.03 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1a79 s SER 137 CO 0.05 0.14 0.71 -0.94 0.41 0.00 0.00 173.24 173.60 1a79 s SER 138 N 0.56 6.33 0.29 2.44 1.04 -1.26 -4.88 113.70 118.22 1a79 s SER 138 Ca 0.00 0.84 -0.18 0.00 0.48 0.00 0.00 55.95 57.09 1a79 s SER 138 Cb -0.14 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.80 1a79 s SER 138 CO 0.02 -0.45 0.67 0.72 0.98 0.00 0.00 173.24 175.18 1a79 s PHE 139 N -2.53 0.02 0.18 5.02 -0.71 -1.26 -5.14 117.98 113.57 1a79 s PHE 139 Ca 0.46 -0.48 -0.30 0.00 -1.04 0.00 0.00 56.93 55.57 1a79 s PHE 139 Cb -0.10 0.59 -0.08 0.00 -1.21 0.00 0.00 43.02 42.21 1a79 s PHE 139 CO 0.39 -1.23 1.23 -0.51 -1.34 0.00 0.00 175.22 173.77 1a79 s LEU 140 N -2.97 4.43 0.54 -1.99 1.43 -1.26 -4.91 118.68 113.95 1a79 s LEU 140 Ca 0.15 2.27 0.20 0.00 -1.03 0.00 0.00 54.13 55.73 1a79 s LEU 140 Cb -0.05 -3.61 1.41 0.00 0.03 0.00 0.00 46.19 43.98 1a79 s LEU 140 CO 0.09 -0.43 2.15 0.25 0.23 0.00 0.00 176.35 178.64 1a79 h LEU 141 N 5.39 0.00 -2.05 1.79 5.85 -2.01 -0.00 115.31 124.27 1a79 h LEU 141 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1a79 h LEU 141 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1a79 h LEU 141 CO 0.76 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.63 1a79 h SER 142 N 0.00 0.00 -0.15 1.25 4.64 -1.98 -0.68 113.55 116.62 1a79 h SER 142 Ca 0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1a79 h SER 142 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1a79 h SER 142 CO -0.00 0.00 -0.44 -0.08 -0.87 0.00 0.00 176.83 175.44 1a79 h GLU 143 N 0.00 0.57 0.21 4.77 4.81 -1.37 -1.95 114.58 121.62 1a79 h GLU 143 Ca 0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1a79 h GLU 143 Cb 0.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1a79 h GLU 143 CO 0.00 1.02 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.13 1a79 h LEU 144 N 0.21 -0.24 -2.35 1.64 3.38 -1.27 -2.71 115.31 113.97 1a79 h LEU 144 Ca -0.01 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1a79 h LEU 144 Cb 1.06 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1a79 h LEU 144 CO 0.09 0.09 0.08 0.71 0.09 0.00 0.00 178.44 179.50 1a79 h THR 145 N -0.59 0.53 -0.39 0.22 1.35 -1.45 -0.56 112.91 112.02 1a79 h THR 145 Ca -0.03 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.69 1a79 h THR 145 Cb 0.43 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1a79 h THR 145 CO 0.05 0.00 -0.29 1.23 -0.25 0.00 0.00 175.52 176.26 1a79 h GLY 146 N 0.00 0.96 2.00 5.82 0.00 -1.05 -2.06 103.07 108.74 1a79 h GLY 146 Ca 0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 47.33 46.34 1a79 h GLY 146 CO -0.00 0.84 -0.46 0.74 0.00 0.00 0.00 176.54 177.66 1a79 h PHE 147 N 0.69 0.00 -0.13 5.60 0.04 -0.86 -1.88 116.94 120.40 1a79 h PHE 147 Ca 0.07 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1a79 h PHE 147 Cb 0.87 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1a79 h PHE 147 CO 0.06 0.46 -0.47 0.28 -0.60 0.00 0.00 178.31 178.03 1a79 h VAL 148 N 0.00 1.33 -0.20 -0.55 2.07 -1.12 -1.47 116.25 116.31 1a79 h VAL 148 Ca -0.00 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.79 1a79 h VAL 148 Cb 0.86 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1a79 h VAL 148 CO 0.06 0.51 -0.04 -0.09 0.02 0.00 0.00 177.57 178.02 1a79 h ARG 149 N 0.26 0.39 0.25 1.57 2.43 -0.78 -1.48 114.38 117.02 1a79 h ARG 149 Ca 0.01 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1a79 h ARG 149 Cb 0.94 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1a79 h ARG 149 CO 0.08 0.64 -0.12 0.28 -1.51 0.00 0.00 179.97 179.33 1a79 h VAL 150 N 0.12 0.80 0.14 0.20 2.07 -1.28 0.19 116.25 118.49 1a79 h VAL 150 Ca 0.05 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1a79 h VAL 150 Cb 0.49 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1a79 h VAL 150 CO 0.02 0.07 -0.46 0.00 0.02 0.00 0.00 177.57 177.22 1a79 h ALA 151 N 0.19 -0.96 -0.58 1.67 0.00 -1.31 -1.11 119.26 117.16 1a79 h ALA 151 Ca -0.03 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1a79 h ALA 151 Cb 0.38 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1a79 h ALA 151 CO 0.06 -1.07 0.02 1.25 0.00 0.00 0.00 179.25 179.51 1a79 h HIS 152 N -0.68 0.00 -0.91 0.00 -0.00 -1.26 -0.54 115.15 111.76 1a79 h HIS 152 Ca -0.01 0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.54 1a79 h HIS 152 Cb 0.67 0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 28.10 1a79 h HIS 152 CO -0.41 -0.13 0.59 0.66 -0.00 0.00 0.00 177.93 178.63 1a79 h SER 153 N 0.14 0.69 -0.77 3.26 4.64 0.06 -0.33 113.55 121.24 1a79 h SER 153 Ca 0.30 0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.43 1a79 h SER 153 Cb 0.48 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 62.33 1a79 h SER 153 CO -0.48 0.35 0.31 1.33 -0.87 0.00 0.00 176.83 177.46 1a79 n VAL 154 N -4.58 2.95 -3.92 0.95 0.24 -0.33 -4.94 118.33 108.71 1a79 n VAL 154 Ca 0.18 -1.63 -0.30 0.00 -2.04 0.00 0.00 64.34 60.56 1a79 n VAL 154 Cb 0.46 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.45 1a79 n VAL 154 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a79 n ARG 155 N -0.21 -2.23 -4.21 7.34 1.74 -0.14 -4.98 116.66 113.98 1a79 n ARG 155 Ca 0.43 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1a79 n ARG 155 Cb 1.42 -4.13 -0.10 0.00 -1.02 0.00 0.00 32.46 28.62 1a79 n ARG 155 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a79 s LYS 156 N -6.56 1.00 -0.16 5.56 1.02 -0.51 -5.02 119.74 115.08 1a79 s LYS 156 Ca 0.18 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 1a79 s LYS 156 Cb -0.07 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 36.96 1a79 s LYS 156 CO 0.90 -0.09 0.17 0.15 -0.92 0.00 0.00 175.35 175.56 1a79 s LYS 157 N -3.89 3.94 -0.13 1.68 1.02 -0.86 -3.69 119.74 117.81 1a79 s LYS 157 Ca 0.19 -0.11 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 1a79 s LYS 157 Cb 0.06 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1a79 s LYS 157 CO 0.01 0.47 0.71 -1.17 -0.92 0.00 0.00 175.35 174.44 1a79 s LEU 158 N -0.14 4.23 -0.22 3.17 2.96 -1.26 -1.31 118.68 126.10 1a79 s LEU 158 Ca 0.12 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1a79 s LEU 158 Cb -0.12 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 1a79 s LEU 158 CO 0.02 -0.24 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.55 1a79 s LEU 159 N 1.50 2.93 -0.43 -0.68 2.96 0.95 -3.50 118.68 122.41 1a79 s LEU 159 Ca 0.35 -0.38 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1a79 s LEU 159 Cb -0.17 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1a79 s LEU 159 CO 0.14 -0.02 0.56 -0.63 -1.32 0.00 0.00 176.35 175.08 1a79 s ILE 160 N 1.47 4.94 -0.37 6.68 1.01 0.85 -2.02 121.20 133.76 1a79 s ILE 160 Ca 0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 1a79 s ILE 160 Cb -0.14 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1a79 s ILE 160 CO -0.03 -0.54 0.26 0.00 0.00 0.00 0.00 174.94 174.64 1a79 s ALA 161 N 2.52 3.49 -0.20 9.38 0.00 -0.71 -1.20 121.76 135.04 1a79 s ALA 161 Ca 0.18 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 1a79 s ALA 161 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1a79 s ALA 161 CO 0.16 -1.19 0.07 0.42 0.00 0.00 0.00 175.76 175.22 1a79 s ILE 162 N 1.70 4.73 -0.56 0.00 1.01 0.17 -0.81 121.20 127.45 1a79 s ILE 162 Ca 0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 1a79 s ILE 162 Cb -0.18 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.22 1a79 s ILE 162 CO 0.10 0.43 0.67 -0.69 0.00 0.00 0.00 174.94 175.46 1a79 s VAL 163 N 0.62 4.83 0.93 2.92 1.01 -0.45 -0.17 120.40 130.10 1a79 s VAL 163 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1a79 s VAL 163 Cb -0.13 -4.41 0.15 0.00 0.00 0.00 0.00 36.38 31.99 1a79 s VAL 163 CO 0.01 -1.00 1.13 1.51 0.00 0.00 0.00 175.10 176.76 1a79 s ASP 164 N 3.23 3.30 0.63 3.32 1.47 0.11 -1.91 116.67 126.82 1a79 s ASP 164 Ca 0.13 0.98 0.31 0.00 1.18 0.00 0.00 52.55 55.15 1a79 s ASP 164 Cb -0.22 -1.56 1.67 0.00 -0.34 0.00 0.00 42.92 42.47 1a79 s ASP 164 CO 0.09 -2.68 1.98 0.00 0.68 0.00 0.00 175.17 175.24 1a79 h ALA 165 N -1.59 1.59 -0.00 2.11 0.00 -1.96 0.20 119.26 119.60 1a79 h ALA 165 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a79 h ALA 165 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1a79 h ALA 165 CO 0.61 -0.39 -0.18 -0.25 0.00 0.00 0.00 179.25 179.04 1a79 n ASP 166 N -3.26 0.65 0.00 0.00 8.00 -1.26 -4.92 116.55 115.76 1a79 n ASP 166 Ca 0.01 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1a79 n ASP 166 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1a79 n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a79 n GLY 167 N 1.32 0.83 3.86 0.44 0.00 0.70 -5.06 105.19 107.29 1a79 n GLY 167 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1a79 n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a79 s ASP 168 N -2.66 4.93 -0.16 1.61 1.01 -1.26 -4.74 116.67 115.40 1a79 s ASP 168 Ca 0.00 1.10 -0.01 0.00 0.71 0.00 0.00 52.55 54.35 1a79 s ASP 168 Cb 0.00 -1.82 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1a79 s ASP 168 CO 0.00 -1.67 -0.12 -0.63 0.21 0.00 0.00 175.17 172.97 1a79 s ILE 169 N -3.34 3.05 -0.11 0.77 1.09 -1.26 -0.71 121.20 120.68 1a79 s ILE 169 Ca 0.60 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 59.51 1a79 s ILE 169 Cb -0.12 -2.31 -0.02 0.00 -1.06 0.00 0.00 42.46 38.96 1a79 s ILE 169 CO 0.52 0.50 -0.15 -0.69 -0.10 0.00 0.00 174.94 175.03 1a79 s VAL 170 N 0.70 2.94 -0.04 2.92 1.01 0.76 -4.91 120.40 123.78 1a79 s VAL 170 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1a79 s VAL 170 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1a79 s VAL 170 CO 0.02 0.54 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 1a79 s TYR 171 N 0.16 2.85 0.03 5.22 2.02 -1.26 0.44 117.35 126.81 1a79 s TYR 171 Ca -0.08 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1a79 s TYR 171 Cb -0.15 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1a79 s TYR 171 CO 0.05 0.31 -0.05 0.71 -1.57 0.00 0.00 175.55 175.00 1a79 s TYR 172 N -0.86 0.44 -0.08 2.71 2.02 -0.35 -4.97 117.35 116.27 1a79 s TYR 172 Ca 0.14 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1a79 s TYR 172 Cb -0.11 -0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1a79 s TYR 172 CO 0.03 -0.12 -0.07 1.21 -1.57 0.00 0.00 175.55 175.03 1a79 s ASN 173 N -1.38 4.64 -0.07 2.29 3.84 -1.26 -0.11 114.94 122.90 1a79 s ASN 173 Ca -0.12 -0.04 0.01 0.00 0.21 0.00 0.00 52.86 52.92 1a79 s ASN 173 Cb -0.09 -1.26 0.02 0.00 -0.55 0.00 0.00 41.25 39.37 1a79 s ASN 173 CO -0.00 0.33 -0.09 -0.32 -2.79 0.00 0.00 177.10 174.23 1a79 s MET 174 N -0.63 1.40 0.19 0.43 -2.45 -1.23 -5.00 119.30 112.01 1a79 s MET 174 Ca 0.10 -0.28 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 1a79 s MET 174 Cb -0.12 -1.28 -0.04 0.00 1.25 0.00 0.00 34.83 34.64 1a79 s MET 174 CO 0.02 -0.08 0.12 0.95 1.05 0.00 0.00 175.02 177.08 1a79 s THR 175 N 1.00 0.02 0.64 10.11 -4.23 -1.26 -4.52 115.64 117.40 1a79 s THR 175 Ca -0.09 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1a79 s THR 175 Cb -0.15 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1a79 s THR 175 CO -0.00 -0.10 1.05 -0.31 -0.54 0.00 0.00 174.62 174.72 1a79 s TYR 176 N -4.13 3.17 -0.11 3.99 2.02 -1.26 -5.08 117.35 115.95 1a79 s TYR 176 Ca 0.35 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.40 1a79 s TYR 176 Cb 0.07 -2.89 0.03 0.00 -0.40 0.00 0.00 41.96 38.77 1a79 s TYR 176 CO 0.10 -1.05 0.29 0.08 -1.57 0.00 0.00 175.55 173.40 1a79 s VAL 177 N -2.85 -0.00 -0.58 0.71 1.01 -1.26 -5.11 120.40 112.31 1a79 s VAL 177 Ca 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 1a79 s VAL 177 Cb -0.14 -0.41 0.15 0.00 0.00 0.00 0.00 36.38 35.98 1a79 s VAL 177 CO 0.47 0.01 0.38 -0.75 0.00 0.00 0.00 175.10 175.21 1a79 s LYS 178 N 0.30 2.41 0.00 2.72 2.20 -1.26 -5.37 119.74 120.74 1a79 s LYS 178 Ca -0.01 -2.44 0.14 0.00 -0.36 0.00 0.00 55.97 53.29 1a79 s LYS 178 Cb -0.03 -3.66 0.82 0.00 -1.51 0.00 0.00 37.83 33.45 1a79 s LYS 178 CO -0.01 -1.15 1.24 -0.35 -0.36 0.00 0.00 175.35 174.72