#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a79 n ILE 10 N 0.00 3.34 -4.96 3.15 5.41 -0.72 -4.71 119.36 120.86 1a79 n ILE 10 Ca 0.00 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.97 1a79 n ILE 10 Cb 0.00 -1.54 -0.16 0.00 -0.71 0.00 0.00 39.64 37.23 1a79 n ILE 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1a79 s THR 11 N -1.29 1.64 0.38 1.39 -1.32 -1.26 0.01 115.64 115.19 1a79 s THR 11 Ca 0.68 -0.82 0.07 0.00 -1.21 0.00 0.00 61.69 60.42 1a79 s THR 11 Cb -0.45 -1.41 -0.07 0.00 -1.51 0.00 0.00 72.50 69.05 1a79 s THR 11 CO 0.52 0.47 -0.02 -0.83 -2.21 0.00 0.00 174.62 172.55 1a79 s GLY 12 N 0.12 2.37 -0.23 6.08 0.00 0.62 -4.57 107.32 111.71 1a79 s GLY 12 Ca -0.08 -2.22 -0.06 0.00 0.00 0.00 0.00 44.72 42.37 1a79 s GLY 12 CO 0.04 -2.05 0.02 1.08 0.00 0.00 0.00 173.10 172.18 1a79 s LEU 13 N -3.66 3.18 -0.10 0.66 2.01 0.14 -1.98 118.68 118.93 1a79 s LEU 13 Ca 0.34 -0.29 -0.30 0.00 0.01 0.00 0.00 54.13 53.90 1a79 s LEU 13 Cb 0.08 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 44.41 1a79 s LEU 13 CO 0.17 -0.02 1.35 -0.22 1.01 0.00 0.00 176.35 178.63 1a79 s LEU 14 N 1.53 4.24 -0.48 1.79 2.96 -0.72 -0.72 118.68 127.29 1a79 s LEU 14 Ca 0.06 1.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.90 1a79 s LEU 14 Cb -0.15 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.18 1a79 s LEU 14 CO 0.00 -0.76 0.42 -0.67 -1.32 0.00 0.00 176.35 174.03 1a79 n ASP 15 N 6.27 0.53 0.00 3.68 -0.08 -0.03 -4.76 116.55 122.16 1a79 n ASP 15 Ca 0.14 -2.64 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 1a79 n ASP 15 Cb 0.44 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1a79 n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a79 n GLY 16 N 2.36 1.67 0.00 0.27 0.00 -1.26 -3.12 105.19 105.11 1a79 n GLY 16 Ca 0.27 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1a79 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a79 n ASP 17 N 10.31 0.59 -4.31 1.61 8.00 -1.26 -4.97 116.55 126.52 1a79 n ASP 17 Ca 0.00 -0.37 -0.16 0.00 0.71 0.00 0.00 54.79 54.97 1a79 n ASP 17 Cb 0.00 0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.38 1a79 n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a79 s ARG 18 N -3.00 1.37 -0.15 -1.24 0.52 -1.18 -3.32 118.95 111.94 1a79 s ARG 18 Ca 0.10 -1.72 0.01 0.00 -0.52 0.00 0.00 55.73 53.60 1a79 s ARG 18 Cb 0.17 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1a79 s ARG 18 CO 0.73 -0.24 -0.16 0.08 0.02 0.00 0.00 175.30 175.72 1a79 s VAL 19 N -3.68 2.54 -0.12 3.52 1.01 -0.06 -0.85 120.40 122.76 1a79 s VAL 19 Ca 0.34 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1a79 s VAL 19 Cb 0.07 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1a79 s VAL 19 CO 0.12 0.52 0.44 -0.63 0.00 0.00 0.00 175.10 175.55 1a79 s ILE 20 N 0.85 5.21 -0.19 2.22 -1.09 0.10 -0.79 121.20 127.51 1a79 s ILE 20 Ca -0.05 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1a79 s ILE 20 Cb -0.15 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1a79 s ILE 20 CO -0.01 0.34 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.18 1a79 s VAL 21 N 0.55 2.24 -0.21 2.92 1.01 0.94 0.23 120.40 128.08 1a79 s VAL 21 Ca 0.24 -0.92 0.12 0.00 0.00 0.00 0.00 61.98 61.42 1a79 s VAL 21 Cb -0.15 -1.97 -0.22 0.00 0.00 0.00 0.00 36.38 34.04 1a79 s VAL 21 CO 0.09 0.49 -0.00 0.49 0.00 0.00 0.00 175.10 176.17 1a79 n PHE 22 N 4.63 0.05 -1.51 5.22 3.72 -1.26 -0.95 117.46 127.36 1a79 n PHE 22 Ca -0.20 0.01 -0.52 0.00 -0.05 0.00 0.00 57.45 56.69 1a79 n PHE 22 Cb 0.50 -1.01 -0.07 0.00 -0.94 0.00 0.00 39.48 37.96 1a79 n PHE 22 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1a79 n ASP 23 N -2.93 2.21 0.21 4.37 2.03 -1.26 -4.78 116.55 116.40 1a79 n ASP 23 Ca -0.37 0.61 0.18 0.00 0.52 0.00 0.00 54.79 55.73 1a79 n ASP 23 Cb 1.10 -1.22 0.84 0.00 -0.72 0.00 0.00 41.12 41.12 1a79 n ASP 23 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1a79 h LYS 24 N 10.86 0.00 0.02 -0.67 1.79 -1.97 -0.35 116.57 126.25 1a79 h LYS 24 Ca -0.32 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1a79 h LYS 24 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1a79 h LYS 24 CO 1.01 0.00 -0.01 -0.97 -1.08 0.00 0.00 179.45 178.40 1a79 h ASN 25 N 0.00 -0.02 -0.63 0.86 -0.00 -2.00 -2.85 115.58 110.93 1a79 h ASN 25 Ca 0.09 -0.71 -0.02 0.00 -0.00 0.00 0.00 56.30 55.65 1a79 h ASN 25 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 1a79 h ASN 25 CO -0.00 0.72 0.32 1.23 -0.00 0.00 0.00 177.43 179.71 1a79 h GLY 26 N -0.78 0.99 0.78 1.57 0.00 -1.73 -1.46 103.07 102.44 1a79 h GLY 26 Ca -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.92 1a79 h GLY 26 CO 0.00 0.44 0.60 -2.22 0.00 0.00 0.00 176.54 175.36 1a79 h ILE 27 N 0.93 1.10 -0.15 2.60 2.04 -1.14 0.21 117.51 123.10 1a79 h ILE 27 Ca 0.23 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1a79 h ILE 27 Cb 0.09 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1a79 h ILE 27 CO -0.03 0.20 -0.08 0.28 0.00 0.00 0.00 178.15 178.52 1a79 h SER 28 N 1.11 0.33 0.54 1.72 0.02 -1.13 -1.25 113.55 114.89 1a79 h SER 28 Ca 0.39 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1a79 h SER 28 Cb 0.12 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1a79 h SER 28 CO -0.16 0.68 -0.38 0.11 -1.14 0.00 0.00 176.83 175.94 1a79 h LYS 29 N -0.02 -0.86 -0.34 3.45 1.57 -0.71 -0.83 116.57 118.83 1a79 h LYS 29 Ca 0.03 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1a79 h LYS 29 Cb 0.56 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1a79 h LYS 29 CO 0.02 -0.57 0.20 -0.07 -0.57 0.00 0.00 179.45 178.46 1a79 h LEU 30 N -0.89 0.41 -1.00 2.94 3.38 -0.68 -2.85 115.31 116.62 1a79 h LEU 30 Ca -0.06 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1a79 h LEU 30 Cb 0.74 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1a79 h LEU 30 CO 0.03 0.35 0.64 -1.28 0.09 0.00 0.00 178.44 178.27 1a79 h SER 31 N 0.43 1.01 0.07 -0.43 0.87 -1.16 0.26 113.55 114.60 1a79 h SER 31 Ca 0.12 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1a79 h SER 31 Cb 0.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1a79 h SER 31 CO -0.02 0.62 -0.06 0.00 -0.53 0.00 0.00 176.83 176.84 1a79 h ALA 32 N 1.47 -0.12 -0.08 6.23 0.00 -0.92 -2.08 119.26 123.77 1a79 h ALA 32 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1a79 h ALA 32 Cb 0.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a79 h ALA 32 CO -0.19 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.02 1a79 n ARG 33 N -5.17 1.46 -3.32 0.00 5.12 -1.03 -4.88 116.66 108.85 1a79 n ARG 33 Ca -0.07 -0.41 -0.19 0.00 -1.93 0.00 0.00 57.85 55.25 1a79 n ARG 33 Cb 0.10 -1.49 0.06 0.00 -1.16 0.00 0.00 32.46 29.97 1a79 n ARG 33 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1a79 n HIS 34 N 0.02 -2.25 -4.17 -1.55 8.25 -0.78 -5.03 115.22 109.71 1a79 n HIS 34 Ca 0.04 0.77 -0.35 0.00 -0.26 0.00 0.00 57.72 57.91 1a79 n HIS 34 Cb 0.32 -4.23 -0.08 0.00 1.12 0.00 0.00 29.99 27.11 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 -3.23 3.31 0.03 4.41 2.02 0.87 -4.96 117.35 119.78 1a79 s TYR 35 Ca 0.45 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 1a79 s TYR 35 Cb -0.20 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1a79 s TYR 35 CO 0.55 0.50 0.00 0.41 -1.57 0.00 0.00 175.55 175.45 1a79 n GLY 36 N 2.30 -1.14 3.11 0.71 0.00 -1.26 -3.97 105.19 104.93 1a79 n GLY 36 Ca -0.19 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 1a79 n GLY 36 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a79 s ASN 37 N -4.24 2.34 -0.87 1.61 2.47 0.98 -4.90 114.94 112.32 1a79 s ASN 37 Ca 0.00 -0.41 -0.21 0.00 0.42 0.00 0.00 52.86 52.66 1a79 s ASN 37 Cb 0.00 -1.08 0.10 0.00 -1.45 0.00 0.00 41.25 38.82 1a79 s ASN 37 CO 0.00 0.08 1.15 -0.69 -3.72 0.00 0.00 177.10 173.93 1a79 s VAL 38 N 0.54 4.44 0.49 -5.21 1.01 -1.26 -0.37 120.40 120.04 1a79 s VAL 38 Ca -0.16 -1.06 0.21 0.00 0.00 0.00 0.00 61.98 60.97 1a79 s VAL 38 Cb -0.17 -4.81 0.26 0.00 0.00 0.00 0.00 36.38 31.66 1a79 s VAL 38 CO 0.06 -1.59 2.10 -0.08 0.00 0.00 0.00 175.10 175.59 1a79 h GLU 39 N 9.24 0.00 0.00 2.72 4.22 -1.05 -3.47 114.58 126.24 1a79 h GLU 39 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1a79 h GLU 39 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1a79 h GLU 39 CO 1.19 0.09 0.00 0.41 -2.18 0.00 0.00 179.01 178.52 1a79 n GLY 40 N -1.11 3.54 0.05 1.92 0.00 -1.26 -4.80 105.19 103.53 1a79 n GLY 40 Ca -0.03 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 0.63 -3.28 1.61 4.13 -1.26 -4.97 115.26 112.11 1a79 n ASN 41 Ca 0.00 -0.01 -0.09 0.00 1.68 0.00 0.00 54.58 56.16 1a79 n ASN 41 Cb 0.00 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 1a79 n ASN 41 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a79 s PHE 42 N -3.26 0.09 -0.02 3.10 -0.12 -1.26 -4.83 117.98 111.68 1a79 s PHE 42 Ca 0.02 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.30 1a79 s PHE 42 Cb 0.13 0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 43.23 1a79 s PHE 42 CO 0.79 -1.42 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.19 1a79 s LEU 43 N -3.03 2.00 -0.01 -1.99 0.20 -0.12 -0.33 118.68 115.41 1a79 s LEU 43 Ca 0.15 -0.35 0.08 0.00 0.69 0.00 0.00 54.13 54.70 1a79 s LEU 43 Cb -0.05 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.70 1a79 s LEU 43 CO 0.10 0.21 -0.25 -0.94 -0.29 0.00 0.00 176.35 175.18 1a79 s SER 44 N -0.30 3.14 0.17 3.68 1.04 0.50 -0.04 113.70 121.88 1a79 s SER 44 Ca 0.04 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.08 1a79 s SER 44 Cb -0.09 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1a79 s SER 44 CO 0.00 0.31 -0.11 -0.76 0.98 0.00 0.00 173.24 173.66 1a79 s LEU 45 N -0.76 2.93 0.84 2.42 1.43 0.03 -0.01 118.68 125.56 1a79 s LEU 45 Ca 0.11 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1a79 s LEU 45 Cb -0.10 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.57 1a79 s LEU 45 CO -0.00 0.12 1.16 -0.94 0.23 0.00 0.00 176.35 176.92 1a79 s SER 46 N -2.70 4.23 0.20 2.29 1.04 -1.26 -0.88 113.70 116.62 1a79 s SER 46 Ca 0.24 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.45 1a79 s SER 46 Cb -0.09 -1.40 0.13 0.00 0.10 0.00 0.00 66.02 64.76 1a79 s SER 46 CO 0.14 -2.09 1.72 -0.07 0.98 0.00 0.00 173.24 173.93 1a79 h LEU 47 N -1.18 1.08 -0.48 2.42 4.07 -1.93 -0.64 115.31 118.65 1a79 h LEU 47 Ca -0.47 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.24 1a79 h LEU 47 Cb 1.33 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1a79 h LEU 47 CO 0.64 1.03 0.21 0.58 -1.08 0.00 0.00 178.44 179.83 1a79 h VAL 48 N 1.08 1.20 -0.34 1.22 2.07 -1.93 -0.92 116.25 118.64 1a79 h VAL 48 Ca 0.23 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1a79 h VAL 48 Cb 0.36 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1a79 h VAL 48 CO 0.00 0.23 0.22 -0.33 0.02 0.00 0.00 177.57 177.70 1a79 h GLU 49 N 0.64 0.45 -0.72 1.57 5.08 -1.85 -1.66 114.58 118.09 1a79 h GLU 49 Ca 0.16 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1a79 h GLU 49 Cb 0.16 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1a79 h GLU 49 CO -0.02 0.32 0.32 0.00 -1.00 0.00 0.00 179.01 178.63 1a79 h ALA 50 N 1.11 0.93 -0.23 3.43 0.00 -0.89 -0.99 119.26 122.62 1a79 h ALA 50 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a79 h ALA 50 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1a79 h ALA 50 CO -0.03 0.52 0.10 -0.07 0.00 0.00 0.00 179.25 179.78 1a79 h LEU 51 N 1.02 0.15 -0.83 0.00 -0.00 -0.94 -0.30 115.31 114.42 1a79 h LEU 51 Ca 0.24 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.16 1a79 h LEU 51 Cb 0.16 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.76 1a79 h LEU 51 CO -0.03 0.12 0.54 0.22 -0.00 0.00 0.00 178.44 179.29 1a79 h TYR 52 N 0.23 1.01 -0.05 1.13 3.20 -0.95 -1.35 116.97 120.18 1a79 h TYR 52 Ca 0.10 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1a79 h TYR 52 Cb 0.04 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1a79 h TYR 52 CO -0.10 0.60 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.33 1a79 h LEU 53 N 1.06 0.22 0.13 2.82 3.38 -0.77 0.17 115.31 122.32 1a79 h LEU 53 Ca 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1a79 h LEU 53 Cb -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1a79 h LEU 53 CO -0.10 0.78 -0.06 0.40 0.09 0.00 0.00 178.44 179.55 1a79 h ILE 54 N 0.14 1.01 -0.97 1.22 2.04 -0.75 -1.16 117.51 119.04 1a79 h ILE 54 Ca -0.01 -0.57 0.13 0.00 1.00 0.00 0.00 64.86 65.41 1a79 h ILE 54 Cb 1.12 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 1a79 h ILE 54 CO 0.09 0.14 0.62 -1.13 0.00 0.00 0.00 178.15 177.87 1a79 h ASN 55 N -0.44 0.85 0.61 1.72 -1.24 -1.09 0.76 115.58 116.76 1a79 h ASN 55 Ca -0.02 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1a79 h ASN 55 Cb 0.35 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1a79 h ASN 55 CO 0.03 0.44 0.00 0.18 -1.29 0.00 0.00 177.43 176.79 1a79 n LEU 56 N -4.61 0.00 0.00 0.34 4.77 0.59 -4.87 117.00 113.23 1a79 n LEU 56 Ca 0.19 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1a79 n LEU 56 Cb 0.39 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1a79 n LEU 56 CO 0.28 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1a79 n GLY 57 N 0.42 1.52 0.13 -0.72 0.00 0.26 -4.89 105.19 101.91 1a79 n GLY 57 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -2.49 1.61 4.06 -1.42 -3.47 115.95 114.24 1a79 h TRP 58 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1a79 h TRP 58 Cb 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.01 1a79 h TRP 58 CO 0.00 0.62 -0.76 -1.17 -3.56 0.00 0.00 178.44 173.57 1a79 s LEU 59 N -6.97 2.56 -0.02 -4.49 2.96 -0.87 -1.76 118.68 110.09 1a79 s LEU 59 Ca 0.01 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 52.95 1a79 s LEU 59 Cb 0.10 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1a79 s LEU 59 CO 0.75 -0.00 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.95 1a79 s GLU 60 N -3.44 1.21 -0.07 1.98 2.12 0.10 -4.40 118.70 116.21 1a79 s GLU 60 Ca 0.27 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.15 1a79 s GLU 60 Cb -0.04 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 33.23 1a79 s GLU 60 CO 0.12 0.24 -0.13 0.08 -0.54 0.00 0.00 175.26 175.03 1a79 s VAL 61 N -0.12 1.23 -0.06 3.70 1.01 -1.26 -0.27 120.40 124.63 1a79 s VAL 61 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1a79 s VAL 61 Cb -0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1a79 s VAL 61 CO 0.00 0.38 -0.24 -0.54 0.00 0.00 0.00 175.10 174.70 1a79 s LYS 62 N 0.60 2.49 0.00 2.72 1.02 -0.84 0.87 119.74 126.60 1a79 s LYS 62 Ca -0.14 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1a79 s LYS 62 Cb -0.16 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1a79 s LYS 62 CO 0.04 0.35 0.00 0.98 -0.92 0.00 0.00 175.35 175.80 1a79 n TYR 63 N 3.02 0.00 -1.20 3.18 9.36 -1.26 -1.75 117.16 128.52 1a79 n TYR 63 Ca -0.18 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.84 1a79 n TYR 63 Cb 0.52 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 1a79 n TYR 63 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1a79 n LYS 64 N 0.00 2.10 0.00 2.98 4.76 -1.26 -4.80 118.16 121.94 1a79 n LYS 64 Ca 0.00 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 1a79 n LYS 64 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1a79 n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a79 n ASP 65 N 1.00 0.00 -0.25 4.39 2.03 -1.26 -5.01 116.55 117.45 1a79 n ASP 65 Ca 0.40 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.72 1a79 n ASP 65 Cb 0.61 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.03 1a79 n ASP 65 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1a79 n ASN 66 N 0.00 0.58 -4.41 1.67 5.15 -1.26 -4.70 115.26 112.29 1a79 n ASN 66 Ca 0.00 -2.02 -0.40 0.00 -0.60 0.00 0.00 54.58 51.57 1a79 n ASN 66 Cb 0.00 -0.20 -0.11 0.00 -0.53 0.00 0.00 39.78 38.94 1a79 n ASN 66 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1a79 s LYS 67 N -1.65 3.09 0.43 1.20 2.20 -1.26 -5.05 119.74 118.70 1a79 s LYS 67 Ca 0.03 -0.90 -0.25 0.00 -0.36 0.00 0.00 55.97 54.49 1a79 s LYS 67 Cb 0.02 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 1a79 s LYS 67 CO 0.02 -0.56 1.25 -2.30 -0.36 0.00 0.00 175.35 173.39 1a79 n PRO 68 N 5.00 1.84 -2.84 4.03 -0.02 -1.26 -4.49 135.00 137.26 1a79 n PRO 68 Ca -0.13 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 1a79 n PRO 68 Cb 0.48 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.72 4.39 0.78 2.45 1.43 0.25 -4.96 118.68 121.31 1a79 s LEU 69 Ca 0.62 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 1a79 s LEU 69 Cb -0.50 -3.85 0.06 0.00 0.03 0.00 0.00 46.19 41.93 1a79 s LEU 69 CO 0.57 -0.01 1.10 -0.94 0.23 0.00 0.00 176.35 177.31 1a79 s SER 70 N -1.54 4.69 0.17 2.29 1.04 -1.26 -4.58 113.70 114.51 1a79 s SER 70 Ca 0.47 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.94 1a79 s SER 70 Cb -0.19 -1.93 0.10 0.00 0.10 0.00 0.00 66.02 64.09 1a79 s SER 70 CO 0.24 -1.83 1.69 0.15 0.98 0.00 0.00 173.24 174.47 1a79 h PHE 71 N -0.99 -0.10 0.00 5.02 3.04 -1.97 0.12 116.94 122.07 1a79 h PHE 71 Ca -0.47 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.51 1a79 h PHE 71 Cb 1.27 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.89 1a79 h PHE 71 CO 0.45 -0.12 -0.04 0.93 -2.02 0.00 0.00 178.31 177.52 1a79 h GLU 72 N 0.06 0.00 0.31 1.11 3.07 -1.98 0.16 114.58 117.32 1a79 h GLU 72 Ca 0.19 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1a79 h GLU 72 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1a79 h GLU 72 CO -0.36 0.04 -0.15 0.93 -1.40 0.00 0.00 179.01 178.07 1a79 h GLU 73 N 0.00 -0.41 -0.54 2.33 5.08 -1.17 -2.11 114.58 117.77 1a79 h GLU 73 Ca -0.00 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1a79 h GLU 73 Cb 0.07 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1a79 h GLU 73 CO 0.00 -0.27 0.20 1.25 -1.00 0.00 0.00 179.01 179.19 1a79 h LEU 74 N -0.75 0.21 -0.64 1.33 5.85 -1.00 -1.86 115.31 118.43 1a79 h LEU 74 Ca -0.04 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1a79 h LEU 74 Cb 0.32 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 1a79 h LEU 74 CO 0.07 0.14 0.11 0.22 -0.34 0.00 0.00 178.44 178.64 1a79 h TYR 75 N 0.38 0.15 -0.67 1.25 5.03 -0.74 0.58 116.97 122.95 1a79 h TYR 75 Ca 0.26 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.53 1a79 h TYR 75 Cb 0.28 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 1a79 h TYR 75 CO -0.16 -0.09 0.11 1.49 -1.32 0.00 0.00 178.16 178.20 1a79 h GLU 76 N 0.22 1.11 0.54 1.82 4.57 -0.64 0.49 114.58 122.68 1a79 h GLU 76 Ca 0.35 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1a79 h GLU 76 Cb 0.55 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1a79 h GLU 76 CO -0.47 1.01 -0.41 -0.92 -1.18 0.00 0.00 179.01 177.04 1a79 h TYR 77 N 1.04 -1.10 -0.60 0.92 5.03 -0.42 -2.01 116.97 119.82 1a79 h TYR 77 Ca 0.21 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.58 1a79 h TYR 77 Cb 0.43 0.41 -0.06 0.00 1.55 0.00 0.00 36.73 39.06 1a79 h TYR 77 CO 0.03 -0.59 0.29 0.00 -1.32 0.00 0.00 178.16 176.57 1a79 h ALA 78 N -0.63 0.79 -0.88 1.82 0.00 -0.81 -0.35 119.26 119.21 1a79 h ALA 78 Ca -0.06 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1a79 h ALA 78 Cb 0.78 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1a79 h ALA 78 CO 0.01 -0.09 0.57 -0.09 0.00 0.00 0.00 179.25 179.65 1a79 h ARG 79 N 0.53 0.59 -0.00 0.00 2.43 -0.70 0.21 114.38 117.44 1a79 h ARG 79 Ca 0.28 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 1a79 h ARG 79 Cb 0.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1a79 h ARG 79 CO -0.22 0.39 -0.87 -0.91 -1.51 0.00 0.00 179.97 176.85 1a79 h ASN 80 N 0.61 0.30 0.33 -3.80 4.21 -0.32 -3.31 115.58 113.60 1a79 h ASN 80 Ca 0.44 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1a79 h ASN 80 Cb 0.81 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1a79 h ASN 80 CO -0.20 1.04 -0.69 1.33 -1.29 0.00 0.00 177.43 177.62 1a79 n VAL 81 N -3.68 0.00 -3.81 2.81 0.24 -0.68 -4.84 118.33 108.37 1a79 n VAL 81 Ca -0.04 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.34 62.00 1a79 n VAL 81 Cb 0.80 0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 33.51 1a79 n VAL 81 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1a79 s GLU 82 N -3.00 0.95 0.04 7.34 2.02 -0.02 -5.06 118.70 120.96 1a79 s GLU 82 Ca 0.10 -0.22 -0.08 0.00 0.02 0.00 0.00 54.97 54.79 1a79 s GLU 82 Cb 0.17 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 1a79 s GLU 82 CO 0.76 -0.41 1.15 0.93 0.02 0.00 0.00 175.26 177.71 1a79 h GLU 83 N 8.24 -0.00 -0.86 1.61 5.08 -1.86 -2.76 114.58 124.02 1a79 h GLU 83 Ca -0.21 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.94 1a79 h GLU 83 Cb 1.12 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 1a79 h GLU 83 CO 0.33 -0.00 0.26 0.54 -1.00 0.00 0.00 179.01 179.14 1a79 n ARG 84 N -3.60 2.77 -0.32 2.33 1.74 -1.26 -4.66 116.66 113.66 1a79 n ARG 84 Ca 0.00 -2.21 0.17 0.00 -0.77 0.00 0.00 57.85 55.04 1a79 n ARG 84 Cb 0.07 -1.94 0.37 0.00 -1.02 0.00 0.00 32.46 29.93 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 1.85 0.41 0.53 0.55 5.85 -1.81 -2.08 115.31 120.61 1a79 h LEU 85 Ca 0.25 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1a79 h LEU 85 Cb 2.00 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1a79 h LEU 85 CO 0.60 -0.03 -0.35 0.00 -0.34 0.00 0.00 178.44 178.32 1a79 h LEU 87 N -0.84 -0.84 -0.98 0.00 3.38 -1.77 -1.71 115.31 112.54 1a79 h LEU 87 Ca -0.06 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1a79 h LEU 87 Cb 0.69 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1a79 h LEU 87 CO 0.05 -0.42 0.64 0.11 0.09 0.00 0.00 178.44 178.90 1a79 h LYS 88 N -0.61 1.20 0.29 1.13 1.57 -1.45 -1.41 116.57 117.30 1a79 h LYS 88 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1a79 h LYS 88 Cb 0.58 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a79 h LYS 88 CO -0.10 0.80 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.52 1a79 h TYR 89 N 1.24 -0.36 -0.47 -1.35 3.20 -0.81 0.11 116.97 118.53 1a79 h TYR 89 Ca 0.39 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.34 1a79 h TYR 89 Cb -0.00 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 1a79 h TYR 89 CO -0.00 -0.12 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.31 1a79 h LEU 90 N -0.54 -0.23 -0.56 2.82 4.07 -1.07 0.44 115.31 120.24 1a79 h LEU 90 Ca -0.04 0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 1a79 h LEU 90 Cb 0.40 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1a79 h LEU 90 CO 0.06 -0.08 -0.67 0.58 -1.08 0.00 0.00 178.44 177.26 1a79 h VAL 91 N 0.09 1.41 0.30 1.22 2.07 -1.20 -2.01 116.25 118.13 1a79 h VAL 91 Ca 0.23 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 1a79 h VAL 91 Cb 0.35 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1a79 h VAL 91 CO -0.40 0.62 -0.15 0.22 0.02 0.00 0.00 177.57 177.89 1a79 h TYR 92 N 0.17 -0.38 -0.82 1.57 3.20 -0.19 -0.81 116.97 119.71 1a79 h TYR 92 Ca -0.01 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.94 1a79 h TYR 92 Cb 1.20 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 39.52 1a79 h TYR 92 CO 0.02 -0.11 0.47 -0.22 -1.64 0.00 0.00 178.16 176.69 1a79 h LYS 93 N -0.62 0.76 -0.15 1.82 3.64 -0.95 0.11 116.57 121.19 1a79 h LYS 93 Ca -0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1a79 h LYS 93 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1a79 h LYS 93 CO 0.07 0.50 -0.01 0.22 -2.27 0.00 0.00 179.45 177.97 1a79 h ASP 94 N 0.78 0.26 0.40 4.20 3.58 -1.21 -0.73 116.42 123.70 1a79 h ASP 94 Ca 0.40 -0.32 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1a79 h ASP 94 Cb 0.37 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1a79 h ASP 94 CO -0.25 0.52 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.08 1a79 h LEU 95 N -0.00 0.11 -0.25 2.28 3.38 -0.82 -1.31 115.31 118.71 1a79 h LEU 95 Ca 0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1a79 h LEU 95 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1a79 h LEU 95 CO 0.01 0.58 -0.06 -0.09 0.09 0.00 0.00 178.44 178.97 1a79 h ARG 96 N 0.09 0.48 -0.78 1.13 9.65 -0.75 -1.50 114.38 122.69 1a79 h ARG 96 Ca 0.00 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1a79 h ARG 96 Cb 0.89 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 1a79 h ARG 96 CO 0.07 0.70 0.52 1.15 2.80 0.00 0.00 179.97 185.21 1a79 h THR 97 N 0.22 1.13 0.00 0.20 2.02 -0.84 0.18 112.91 115.82 1a79 h THR 97 Ca 0.06 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1a79 h THR 97 Cb 0.53 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1a79 h THR 97 CO 0.02 0.18 0.00 0.54 0.37 0.00 0.00 175.52 176.63 1a79 n ARG 98 N -4.45 0.43 -0.07 6.66 1.74 -0.52 -4.84 116.66 115.61 1a79 n ARG 98 Ca 0.10 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1a79 n ARG 98 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.12 0.49 3.81 -0.13 0.00 0.64 -4.99 105.19 105.13 1a79 n GLY 99 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.17 3.08 -0.55 1.61 2.02 -0.59 -3.27 117.35 117.49 1a79 s TYR 100 Ca 0.00 1.54 -0.20 0.00 -0.37 0.00 0.00 57.07 58.05 1a79 s TYR 100 Cb 0.00 -2.99 0.07 0.00 -0.40 0.00 0.00 41.96 38.64 1a79 s TYR 100 CO 0.00 -0.79 0.70 0.42 -1.57 0.00 0.00 175.55 174.31 1a79 s ILE 101 N -2.23 4.78 -0.28 2.71 1.01 -0.34 -4.30 121.20 122.54 1a79 s ILE 101 Ca 0.64 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 1a79 s ILE 101 Cb -0.15 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 1a79 s ILE 101 CO 0.26 -0.97 0.68 -0.69 0.00 0.00 0.00 174.94 174.22 1a79 s VAL 102 N 2.85 4.92 0.47 2.92 1.01 -1.26 -1.93 120.40 129.38 1a79 s VAL 102 Ca 0.16 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1a79 s VAL 102 Cb -0.20 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1a79 s VAL 102 CO 0.11 -0.10 0.03 -0.54 0.00 0.00 0.00 175.10 174.60 1a79 s LYS 103 N 2.66 2.10 0.41 2.72 -0.14 -0.78 -4.98 119.74 121.73 1a79 s LYS 103 Ca 0.28 -2.31 -0.22 0.00 -1.36 0.00 0.00 55.97 52.36 1a79 s LYS 103 Cb -0.15 -1.36 -0.10 0.00 -1.68 0.00 0.00 37.83 34.54 1a79 s LYS 103 CO 0.10 -0.33 0.97 -0.08 -0.76 0.00 0.00 175.35 175.25 1a79 s THR 104 N -2.93 4.22 -0.28 2.17 -1.32 -1.26 -1.32 115.64 114.93 1a79 s THR 104 Ca 0.14 1.52 0.16 0.00 -1.21 0.00 0.00 61.69 62.29 1a79 s THR 104 Cb 0.03 -3.69 0.46 0.00 -1.51 0.00 0.00 72.50 67.79 1a79 s THR 104 CO 0.07 -0.17 1.36 0.61 -2.21 0.00 0.00 174.62 174.28 1a79 n GLY 105 N -0.22 3.92 0.31 6.08 0.00 -0.67 -4.09 105.19 110.53 1a79 n GLY 105 Ca 0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1a79 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a79 h LEU 106 N 1.60 -0.95 -1.70 0.99 5.85 -1.74 0.02 115.31 119.39 1a79 h LEU 106 Ca 0.00 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1a79 h LEU 106 Cb 1.27 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1a79 h LEU 106 CO 0.16 -0.27 0.49 0.11 -0.34 0.00 0.00 178.44 178.59 1a79 h LYS 107 N -0.10 0.00 -0.21 1.25 1.57 -1.88 0.26 116.57 117.46 1a79 h LYS 107 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a79 h LYS 107 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1a79 h LYS 107 CO -0.69 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.85 1a79 n TYR 108 N -3.06 0.28 -1.07 -1.35 4.02 -0.12 -4.96 117.16 110.90 1a79 n TYR 108 Ca 0.02 -0.35 -0.02 0.00 -0.01 0.00 0.00 57.90 57.53 1a79 n TYR 108 Cb 0.58 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1a79 n TYR 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a79 n GLY 109 N 0.42 0.57 3.81 2.72 0.00 0.91 -4.96 105.19 108.65 1a79 n GLY 109 Ca 0.09 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.02 3.77 -0.05 4.61 0.00 -0.50 -4.97 121.76 122.61 1a79 s ALA 110 Ca 0.00 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 1a79 s ALA 110 Cb 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 23.12 22.11 1a79 s ALA 110 CO 0.00 -0.08 0.79 -0.44 0.00 0.00 0.00 175.76 176.03 1a79 h ASP 111 N 1.30 -0.24 -4.15 0.00 3.32 -0.75 -2.92 116.42 112.97 1a79 h ASP 111 Ca -0.43 -0.26 -0.38 0.00 0.02 0.00 0.00 57.03 55.98 1a79 h ASP 111 Cb 1.26 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.73 1a79 h ASP 111 CO 0.61 0.29 -0.62 -0.36 -1.72 0.00 0.00 179.24 177.44 1a79 s PHE 112 N -3.33 1.64 -0.02 4.55 0.08 -0.98 -1.67 117.98 118.25 1a79 s PHE 112 Ca -0.11 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.84 1a79 s PHE 112 Cb 0.00 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.47 1a79 s PHE 112 CO 0.41 -0.23 -0.03 -0.98 -0.10 0.00 0.00 175.22 174.28 1a79 s ARG 113 N -3.99 0.46 0.05 0.44 1.70 -0.43 -0.30 118.95 116.88 1a79 s ARG 113 Ca 0.37 -0.08 0.07 0.00 -0.47 0.00 0.00 55.73 55.61 1a79 s ARG 113 Cb 0.08 -0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1a79 s ARG 113 CO 0.14 -0.01 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.68 1a79 s LEU 114 N 0.46 2.73 0.14 -1.89 1.43 0.23 -1.86 118.68 119.92 1a79 s LEU 114 Ca -0.05 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1a79 s LEU 114 Cb -0.08 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1a79 s LEU 114 CO -0.01 0.24 -0.21 -0.31 0.23 0.00 0.00 176.35 176.30 1a79 s TYR 115 N -0.98 2.45 0.67 0.29 1.51 -0.81 -0.04 117.35 120.44 1a79 s TYR 115 Ca 0.16 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 1a79 s TYR 115 Cb -0.11 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1a79 s TYR 115 CO 0.07 0.40 1.17 -1.21 -1.11 0.00 0.00 175.55 174.87 1a79 s GLU 116 N -2.26 2.56 0.42 -0.62 0.41 -1.26 -1.20 118.70 116.75 1a79 s GLU 116 Ca 0.18 1.63 0.18 0.00 -0.41 0.00 0.00 54.97 56.54 1a79 s GLU 116 Cb -0.10 -1.90 1.09 0.00 -1.78 0.00 0.00 34.13 31.44 1a79 s GLU 116 CO 0.09 -1.48 1.86 -0.09 -0.49 0.00 0.00 175.26 175.16 1a79 h ARG 117 N 0.08 0.38 -0.64 1.61 2.43 -1.90 0.18 114.38 116.51 1a79 h ARG 117 Ca -0.48 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.53 1a79 h ARG 117 Cb 1.28 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1a79 h ARG 117 CO 0.52 0.25 0.16 0.41 -1.51 0.00 0.00 179.97 179.81 1a79 n GLY 118 N -1.52 3.56 3.80 2.80 0.00 -1.26 -4.94 105.19 107.62 1a79 n GLY 118 Ca 0.19 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1a79 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a79 s ALA 119 N -2.93 3.19 -0.92 4.61 0.00 0.63 -4.99 121.76 121.35 1a79 s ALA 119 Ca 0.54 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1a79 s ALA 119 Cb 0.43 -3.12 0.24 0.00 0.00 0.00 0.00 23.12 20.66 1a79 s ALA 119 CO 0.13 0.18 0.87 1.21 0.00 0.00 0.00 175.76 178.16 1a79 s ASN 120 N -1.81 6.86 0.15 0.00 3.84 -1.26 -4.90 114.94 117.81 1a79 s ASN 120 Ca 0.53 -3.04 0.07 0.00 0.21 0.00 0.00 52.86 50.63 1a79 s ASN 120 Cb -0.15 -2.18 0.39 0.00 -0.55 0.00 0.00 41.25 38.76 1a79 s ASN 120 CO 0.20 -0.45 1.11 2.30 -2.79 0.00 0.00 177.10 177.47 1a79 n ILE 121 N 3.46 1.13 0.10 -5.21 -5.35 -1.26 0.21 119.36 112.43 1a79 n ILE 121 Ca 0.17 0.61 -0.16 0.00 -0.27 0.00 0.00 62.75 63.11 1a79 n ILE 121 Cb 0.44 -1.61 -0.14 0.00 -1.74 0.00 0.00 39.64 36.59 1a79 n ILE 121 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1a79 h ASP 122 N 0.00 0.40 0.00 7.28 3.32 -2.02 -3.37 116.42 122.03 1a79 h ASP 122 Ca 0.00 -0.44 -0.36 0.00 0.02 0.00 0.00 57.03 56.25 1a79 h ASP 122 Cb 0.34 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1a79 h ASP 122 CO 0.00 1.35 -2.36 0.29 -1.72 0.00 0.00 179.24 176.80 1a79 n LYS 123 N -3.51 0.77 -2.71 3.56 4.01 0.15 -5.02 118.16 115.41 1a79 n LYS 123 Ca -0.09 0.02 -0.26 0.00 -0.51 0.00 0.00 58.31 57.47 1a79 n LYS 123 Cb 1.02 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 34.05 1a79 n LYS 123 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1a79 s GLU 124 N -2.48 3.24 0.09 1.97 8.01 0.13 -5.07 118.70 124.60 1a79 s GLU 124 Ca -0.15 -0.06 0.02 0.00 0.01 0.00 0.00 54.97 54.78 1a79 s GLU 124 Cb 0.06 -2.41 -0.04 0.00 -4.31 0.00 0.00 34.13 27.43 1a79 s GLU 124 CO 0.75 -0.34 0.20 -1.01 0.01 0.00 0.00 175.26 174.87 1a79 s HIS 125 N -2.74 3.42 0.47 1.61 3.76 -1.26 -4.70 115.29 115.86 1a79 s HIS 125 Ca 0.49 0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 55.33 1a79 s HIS 125 Cb -0.10 -1.69 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 1a79 s HIS 125 CO 0.43 0.55 1.24 -1.54 -0.85 0.00 0.00 174.74 174.57 1a79 s SER 126 N -2.72 5.98 -0.01 1.40 1.04 -1.26 -4.91 113.70 113.22 1a79 s SER 126 Ca 0.34 2.49 0.20 0.00 0.48 0.00 0.00 55.95 59.46 1a79 s SER 126 Cb -0.12 -2.62 -0.25 0.00 0.10 0.00 0.00 66.02 63.13 1a79 s SER 126 CO 0.27 -1.06 0.70 0.55 0.98 0.00 0.00 173.24 174.67 1a79 n VAL 127 N -0.48 0.00 -4.10 5.02 3.14 0.94 -4.93 118.33 117.92 1a79 n VAL 127 Ca 0.07 -0.19 -0.15 0.00 -2.96 0.00 0.00 64.34 61.11 1a79 n VAL 127 Cb 0.46 0.64 -0.12 0.00 -1.06 0.00 0.00 33.84 33.76 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 -3.08 0.82 -0.09 1.45 2.02 -1.14 -2.32 117.35 115.01 1a79 s TYR 128 Ca 0.02 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1a79 s TYR 128 Cb 0.14 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1a79 s TYR 128 CO 0.83 -0.04 -0.21 -0.51 -1.57 0.00 0.00 175.55 174.05 1a79 s LEU 129 N -1.55 1.97 -0.03 -1.29 1.02 -0.16 -0.60 118.68 118.04 1a79 s LEU 129 Ca -0.07 -0.48 0.07 0.00 0.02 0.00 0.00 54.13 53.66 1a79 s LEU 129 Cb -0.10 -1.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 1a79 s LEU 129 CO 0.01 0.14 -0.24 -0.69 0.02 0.00 0.00 176.35 175.59 1a79 s VAL 130 N 0.36 1.90 -0.05 -1.59 1.01 0.59 -1.32 120.40 121.30 1a79 s VAL 130 Ca -0.16 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1a79 s VAL 130 Cb -0.17 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1a79 s VAL 130 CO 0.07 0.54 -0.13 -0.75 0.00 0.00 0.00 175.10 174.83 1a79 s LYS 131 N -0.44 1.59 0.01 2.72 2.20 -0.63 -0.09 119.74 125.09 1a79 s LYS 131 Ca 0.06 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1a79 s LYS 131 Cb -0.10 -1.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1a79 s LYS 131 CO 0.00 0.10 0.09 0.08 -0.36 0.00 0.00 175.35 175.27 1a79 s VAL 132 N 0.40 4.76 -0.02 4.02 1.01 -1.26 0.10 120.40 129.41 1a79 s VAL 132 Ca -0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1a79 s VAL 132 Cb -0.13 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1a79 s VAL 132 CO 0.03 0.32 0.19 -0.36 0.00 0.00 0.00 175.10 175.28 1a79 s PHE 133 N -1.23 -0.07 -0.26 5.22 0.40 0.14 -4.93 117.98 117.25 1a79 s PHE 133 Ca 0.24 0.12 -0.21 0.00 -0.60 0.00 0.00 56.93 56.49 1a79 s PHE 133 Cb -0.12 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 1a79 s PHE 133 CO 0.16 -0.27 0.65 -1.25 0.70 0.00 0.00 175.22 175.20 1a79 s PRO 134 N -1.02 4.11 0.20 0.24 0.04 -1.26 -0.39 135.00 136.91 1a79 s PRO 134 Ca -0.11 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 1a79 s PRO 134 Cb -0.06 -3.65 0.23 0.00 0.04 0.00 0.00 34.50 31.06 1a79 s PRO 134 CO 0.02 -0.43 1.69 1.49 0.04 0.00 0.00 177.00 179.81 1a79 h GLU 135 N 7.89 0.15 -2.15 4.56 4.81 -0.90 -3.13 114.58 125.81 1a79 h GLU 135 Ca -0.26 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.44 1a79 h GLU 135 Cb 1.12 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.32 1a79 h GLU 135 CO 0.78 0.10 0.80 -0.25 -0.73 0.00 0.00 179.01 179.71 1a79 n ASP 136 N -5.21 6.70 -3.90 1.04 8.00 -1.26 -4.86 116.55 117.05 1a79 n ASP 136 Ca 0.07 -3.08 -0.11 0.00 0.71 0.00 0.00 54.79 52.38 1a79 n ASP 136 Cb 0.30 -1.29 -0.12 0.00 -0.02 0.00 0.00 41.12 39.98 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 0.62 0.06 0.22 -2.24 0.01 -1.18 -5.09 113.70 106.10 1a79 s SER 137 Ca 0.59 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.40 1a79 s SER 137 Cb 0.33 0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.58 1a79 s SER 137 CO -0.17 -0.16 1.20 -0.94 0.41 0.00 0.00 173.24 173.59 1a79 s SER 138 N -0.67 7.07 0.18 2.44 1.04 -1.26 -4.99 113.70 117.51 1a79 s SER 138 Ca -0.07 2.30 0.01 0.00 0.48 0.00 0.00 55.95 58.67 1a79 s SER 138 Cb -0.05 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 1a79 s SER 138 CO -0.00 -0.36 0.03 0.72 0.98 0.00 0.00 173.24 174.60 1a79 s PHE 139 N -0.33 1.19 -0.08 5.02 -0.71 -1.26 -5.15 117.98 116.67 1a79 s PHE 139 Ca 0.51 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 1a79 s PHE 139 Cb -0.34 -0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 40.77 1a79 s PHE 139 CO 0.39 -0.30 -0.08 -0.51 -1.34 0.00 0.00 175.22 173.38 1a79 s LEU 140 N -3.17 3.07 0.49 -1.99 1.43 -1.26 -5.03 118.68 112.22 1a79 s LEU 140 Ca 0.26 -0.08 0.18 0.00 -1.03 0.00 0.00 54.13 53.46 1a79 s LEU 140 Cb 0.07 -1.67 1.20 0.00 0.03 0.00 0.00 46.19 45.82 1a79 s LEU 140 CO 0.05 0.33 2.03 -0.07 0.23 0.00 0.00 176.35 178.92 1a79 h LEU 141 N 5.48 0.16 -1.55 1.79 3.38 -2.01 -0.21 115.31 122.34 1a79 h LEU 141 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1a79 h LEU 141 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1a79 h LEU 141 CO 0.53 0.10 0.06 0.77 0.09 0.00 0.00 178.44 179.99 1a79 h SER 142 N 0.18 0.00 0.64 -0.43 4.64 -1.97 0.20 113.55 116.82 1a79 h SER 142 Ca 0.20 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1a79 h SER 142 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1a79 h SER 142 CO -0.03 0.00 -0.60 -0.33 -0.87 0.00 0.00 176.83 175.00 1a79 h GLU 143 N 0.00 0.00 0.02 4.77 5.08 -1.45 -2.59 114.58 120.41 1a79 h GLU 143 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1a79 h GLU 143 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1a79 h GLU 143 CO 0.00 0.60 -2.39 1.28 -1.00 0.00 0.00 179.01 177.49 1a79 n LEU 144 N -3.78 2.64 -0.26 1.33 4.77 0.43 -4.13 117.00 118.01 1a79 n LEU 144 Ca -0.01 -0.07 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1a79 n LEU 144 Cb 0.60 -0.80 0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1a79 n LEU 144 CO 0.42 0.88 1.08 0.00 -1.33 0.00 0.00 177.39 178.44 1a79 h THR 145 N 0.01 0.82 -0.04 -5.08 1.03 -0.83 0.18 112.91 109.00 1a79 h THR 145 Ca -0.55 -0.21 -0.20 0.00 -0.01 0.00 0.00 66.41 65.44 1a79 h THR 145 Cb 1.95 0.15 -0.00 0.00 -1.07 0.00 0.00 68.15 69.18 1a79 h THR 145 CO -0.05 0.11 -0.82 1.23 -0.01 0.00 0.00 175.52 175.98 1a79 h GLY 146 N 0.62 0.44 0.97 2.99 0.00 -1.68 -2.86 103.07 103.55 1a79 h GLY 146 Ca 0.38 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1a79 h GLY 146 CO -0.29 0.61 0.21 -2.75 0.00 0.00 0.00 176.54 174.32 1a79 h PHE 147 N 0.25 0.51 -0.62 5.60 3.57 -1.48 -0.49 116.94 124.28 1a79 h PHE 147 Ca -0.05 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1a79 h PHE 147 Cb 1.42 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1a79 h PHE 147 CO 0.05 0.39 0.34 0.28 -2.23 0.00 0.00 178.31 177.14 1a79 h VAL 148 N 0.48 0.96 0.67 1.41 2.07 -0.66 -0.97 116.25 120.21 1a79 h VAL 148 Ca 0.13 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1a79 h VAL 148 Cb 0.05 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1a79 h VAL 148 CO -0.02 0.11 -0.34 -0.09 0.02 0.00 0.00 177.57 177.25 1a79 h ARG 149 N 0.63 -0.89 -0.26 1.57 9.65 -1.13 -1.52 114.38 122.42 1a79 h ARG 149 Ca 0.28 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.27 1a79 h ARG 149 Cb 0.18 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1a79 h ARG 149 CO -0.18 -0.59 -0.04 0.28 2.80 0.00 0.00 179.97 182.23 1a79 h VAL 150 N -0.92 0.76 -0.98 0.20 2.07 -0.97 0.82 116.25 117.23 1a79 h VAL 150 Ca -0.09 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.63 1a79 h VAL 150 Cb 0.72 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 1a79 h VAL 150 CO 0.14 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.36 1a79 h ALA 151 N 1.25 1.96 0.34 1.67 0.00 -1.07 -0.07 119.26 123.34 1a79 h ALA 151 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1a79 h ALA 151 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1a79 h ALA 151 CO -0.25 -0.31 -0.16 1.25 0.00 0.00 0.00 179.25 179.78 1a79 h HIS 152 N 0.58 -0.43 -0.59 0.00 6.17 0.14 0.87 115.15 121.89 1a79 h HIS 152 Ca 0.55 -0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.73 1a79 h HIS 152 Cb 1.12 0.14 -0.09 0.00 2.52 0.00 0.00 27.41 31.10 1a79 h HIS 152 CO -0.00 -0.12 0.09 0.66 0.71 0.00 0.00 177.93 179.26 1a79 h SER 153 N -1.01 -0.07 0.00 3.26 4.64 -0.37 0.41 113.55 120.41 1a79 h SER 153 Ca -0.05 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1a79 h SER 153 Cb 0.49 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1a79 h SER 153 CO 0.08 -0.02 0.00 0.55 -0.87 0.00 0.00 176.83 176.56 1a79 n VAL 154 N -5.17 0.00 -3.68 0.95 3.14 -0.09 -4.91 118.33 108.57 1a79 n VAL 154 Ca 0.08 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.18 1a79 n VAL 154 Cb 0.32 -0.05 0.03 0.00 -1.06 0.00 0.00 33.84 33.08 1a79 n VAL 154 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1a79 n ARG 155 N -0.53 -1.15 -4.10 1.45 1.74 0.14 -5.01 116.66 109.20 1a79 n ARG 155 Ca 0.02 0.58 -0.10 0.00 -0.77 0.00 0.00 57.85 57.58 1a79 n ARG 155 Cb 0.01 -3.78 -0.10 0.00 -1.02 0.00 0.00 32.46 27.57 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 -5.64 0.63 0.38 5.56 1.02 0.27 -5.03 119.74 116.93 1a79 s LYS 156 Ca 0.34 -1.09 -0.23 0.00 0.02 0.00 0.00 55.97 55.01 1a79 s LYS 156 Cb -0.13 -0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.04 1a79 s LYS 156 CO 0.87 -0.04 0.94 0.15 -0.92 0.00 0.00 175.35 176.35 1a79 s LYS 157 N -3.12 4.37 0.21 1.68 1.02 -0.98 -4.50 119.74 118.41 1a79 s LYS 157 Ca 0.02 1.19 0.11 0.00 0.02 0.00 0.00 55.97 57.32 1a79 s LYS 157 Cb 0.01 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1a79 s LYS 157 CO -0.05 0.11 -0.23 -0.48 -0.92 0.00 0.00 175.35 173.78 1a79 s LEU 158 N -2.69 2.49 -0.04 3.17 0.05 -1.26 -0.99 118.68 119.40 1a79 s LEU 158 Ca 0.57 -0.89 -0.00 0.00 0.05 0.00 0.00 54.13 53.86 1a79 s LEU 158 Cb -0.13 -1.18 0.03 0.00 -2.05 0.00 0.00 46.19 42.86 1a79 s LEU 158 CO 0.18 0.10 0.01 -0.76 -0.55 0.00 0.00 176.35 175.33 1a79 s LEU 159 N -2.84 0.96 -0.39 1.48 1.43 -0.44 -4.68 118.68 114.21 1a79 s LEU 159 Ca 0.23 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1a79 s LEU 159 Cb -0.07 -0.23 0.04 0.00 0.03 0.00 0.00 46.19 45.96 1a79 s LEU 159 CO 0.11 -0.13 0.24 -0.63 0.23 0.00 0.00 176.35 176.16 1a79 s ILE 160 N 1.28 4.58 -0.36 -0.59 1.01 0.41 -1.60 121.20 125.94 1a79 s ILE 160 Ca -0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 1a79 s ILE 160 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1a79 s ILE 160 CO -0.02 -0.32 0.66 0.00 0.00 0.00 0.00 174.94 175.26 1a79 s ALA 161 N 1.54 3.45 -0.27 9.38 0.00 0.11 -1.25 121.76 134.73 1a79 s ALA 161 Ca 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1a79 s ALA 161 Cb -0.20 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1a79 s ALA 161 CO 0.06 -1.38 -0.00 0.42 0.00 0.00 0.00 175.76 174.86 1a79 s ILE 162 N 2.78 3.33 -0.26 0.00 1.01 -0.36 0.26 121.20 127.96 1a79 s ILE 162 Ca 0.26 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1a79 s ILE 162 Cb -0.14 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1a79 s ILE 162 CO 0.15 0.14 0.24 -0.69 0.00 0.00 0.00 174.94 174.78 1a79 s VAL 163 N 1.39 5.29 0.93 2.92 1.01 0.47 -1.25 120.40 131.16 1a79 s VAL 163 Ca 0.01 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1a79 s VAL 163 Cb -0.17 -3.57 0.18 0.00 0.00 0.00 0.00 36.38 32.81 1a79 s VAL 163 CO -0.01 0.26 1.29 1.51 0.00 0.00 0.00 175.10 178.14 1a79 s ASP 164 N 1.48 3.39 0.46 3.32 1.47 0.31 -0.19 116.67 126.90 1a79 s ASP 164 Ca 0.10 0.32 0.21 0.00 1.18 0.00 0.00 52.55 54.36 1a79 s ASP 164 Cb -0.15 -0.46 1.20 0.00 -0.34 0.00 0.00 42.92 43.17 1a79 s ASP 164 CO 0.09 -2.56 1.89 0.00 0.68 0.00 0.00 175.17 175.26 1a79 h ALA 165 N -1.50 2.36 0.00 2.11 0.00 -1.98 0.28 119.26 120.52 1a79 h ALA 165 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a79 h ALA 165 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a79 h ALA 165 CO 0.43 -0.61 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 1a79 n ASP 166 N -4.44 0.00 0.00 0.00 8.00 -1.26 -4.87 116.55 113.97 1a79 n ASP 166 Ca 0.17 0.45 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1a79 n ASP 166 Cb 0.72 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.24 0.79 3.77 0.44 0.00 0.98 -5.06 105.19 107.34 1a79 n GLY 167 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.33 7.41 -0.09 1.61 1.01 -1.25 -4.75 116.67 118.27 1a79 s ASP 168 Ca 0.00 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 55.03 1a79 s ASP 168 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1a79 s ASP 168 CO 0.00 0.07 -0.04 -0.63 0.21 0.00 0.00 175.17 174.78 1a79 s ILE 169 N -1.38 3.94 -0.06 0.77 1.01 -1.26 -0.53 121.20 123.69 1a79 s ILE 169 Ca 0.44 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1a79 s ILE 169 Cb -0.22 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.63 1a79 s ILE 169 CO 0.26 0.58 -0.09 -0.69 0.00 0.00 0.00 174.94 175.01 1a79 s VAL 170 N -0.65 0.87 -0.04 2.92 1.01 -0.38 -4.96 120.40 119.18 1a79 s VAL 170 Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1a79 s VAL 170 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1a79 s VAL 170 CO 0.02 0.30 0.28 -0.31 0.00 0.00 0.00 175.10 175.39 1a79 s TYR 171 N 0.77 3.64 0.07 5.22 1.51 -1.26 -1.22 117.35 126.08 1a79 s TYR 171 Ca -0.13 0.72 0.03 0.00 -1.01 0.00 0.00 57.07 56.68 1a79 s TYR 171 Cb -0.15 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1a79 s TYR 171 CO 0.02 0.66 -0.10 0.71 -1.11 0.00 0.00 175.55 175.74 1a79 s TYR 172 N -1.13 0.93 0.31 2.71 1.51 -0.38 -4.92 117.35 116.37 1a79 s TYR 172 Ca 0.22 -0.57 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1a79 s TYR 172 Cb -0.14 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1a79 s TYR 172 CO 0.11 -0.03 0.01 1.21 -1.11 0.00 0.00 175.55 175.74 1a79 s ASN 173 N -1.98 4.37 -0.13 2.29 3.04 -1.26 -0.44 114.94 120.82 1a79 s ASN 173 Ca -0.02 -0.82 -0.08 0.00 0.04 0.00 0.00 52.86 51.98 1a79 s ASN 173 Cb -0.07 -0.67 0.04 0.00 -1.54 0.00 0.00 41.25 39.02 1a79 s ASN 173 CO 0.00 -0.13 0.31 -0.32 -3.04 0.00 0.00 177.10 173.92 1a79 s MET 174 N -3.71 0.31 0.01 0.43 1.75 -1.26 -5.00 119.30 111.84 1a79 s MET 174 Ca 0.34 0.57 0.04 0.00 -1.25 0.00 0.00 55.69 55.38 1a79 s MET 174 Cb -0.03 0.01 -0.01 0.00 2.84 0.00 0.00 34.83 37.63 1a79 s MET 174 CO 0.20 -0.12 -0.11 0.95 -0.65 0.00 0.00 175.02 175.29 1a79 s THR 175 N 0.91 0.89 0.45 10.11 -4.23 -1.26 -4.92 115.64 117.59 1a79 s THR 175 Ca -0.06 -0.64 -0.23 0.00 -1.18 0.00 0.00 61.69 59.57 1a79 s THR 175 Cb -0.07 -0.78 -0.08 0.00 1.34 0.00 0.00 72.50 72.92 1a79 s THR 175 CO -0.06 0.13 1.15 -0.47 -0.54 0.00 0.00 174.62 174.82 1a79 s TYR 176 N -0.49 2.93 -0.02 3.99 5.04 -1.26 -5.03 117.35 122.51 1a79 s TYR 176 Ca 0.02 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.20 1a79 s TYR 176 Cb -0.05 -3.34 0.02 0.00 0.35 0.00 0.00 41.96 38.93 1a79 s TYR 176 CO 0.00 -1.38 0.04 0.08 -1.34 0.00 0.00 175.55 172.96 1a79 s VAL 177 N -1.56 -0.03 -0.65 3.14 1.01 -1.26 -5.09 120.40 115.96 1a79 s VAL 177 Ca 0.63 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1a79 s VAL 177 Cb -0.28 -0.09 0.16 0.00 0.00 0.00 0.00 36.38 36.18 1a79 s VAL 177 CO 0.34 0.04 0.45 -0.54 0.00 0.00 0.00 175.10 175.39 1a79 s LYS 178 N 0.58 2.48 0.00 2.72 -0.14 -1.26 -5.36 119.74 118.75 1a79 s LYS 178 Ca -0.05 -2.86 0.00 0.00 -1.36 0.00 0.00 55.97 51.70 1a79 s LYS 178 Cb -0.07 -3.58 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1a79 s LYS 178 CO -0.02 -1.19 0.32 -2.30 -0.76 0.00 0.00 175.35 171.40