#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 n ASN 10 N 0.00 3.78 0.00 4.52 2.85 -1.26 -4.81 115.26 120.34 1i81 n ASN 10 Ca 0.00 0.97 0.05 0.00 -0.11 0.00 0.00 54.58 55.50 1i81 n ASN 10 Cb 0.00 -1.47 0.32 0.00 1.24 0.00 0.00 39.78 39.87 1i81 n ASN 10 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1i81 n VAL 11 N 4.91 0.00 0.73 3.44 0.24 -1.26 -1.14 118.33 125.25 1i81 n VAL 11 Ca 0.20 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.58 1i81 n VAL 11 Cb 0.35 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1i81 n VAL 11 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1i81 n GLN 12 N -0.98 1.39 -3.39 7.34 -0.06 -1.26 -4.82 117.38 115.60 1i81 n GLN 12 Ca 0.08 -0.01 -0.18 0.00 -2.00 0.00 0.00 57.00 54.89 1i81 n GLN 12 Cb 0.04 -1.30 -0.09 0.00 -4.06 0.00 0.00 30.24 24.83 1i81 n GLN 12 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1i81 s ARG 13 N -2.63 0.53 0.57 3.69 0.52 -0.29 -5.00 118.95 116.33 1i81 s ARG 13 Ca 0.05 -0.68 0.34 0.00 -0.52 0.00 0.00 55.73 54.92 1i81 s ARG 13 Cb 0.13 -0.77 1.73 0.00 0.52 0.00 0.00 34.95 36.56 1i81 s ARG 13 CO 0.69 -1.14 2.15 -1.35 0.02 0.00 0.00 175.30 175.67 1i81 h PRO 14 N 7.45 0.00 0.00 3.54 0.11 -1.88 -2.52 132.00 138.69 1i81 h PRO 14 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1i81 h PRO 14 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1i81 h PRO 14 CO 0.25 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.38 1i81 n LEU 15 N -3.39 0.59 0.31 2.35 4.32 -1.26 -1.38 117.00 118.54 1i81 n LEU 15 Ca -0.02 0.71 0.20 0.00 -0.02 0.00 0.00 56.01 56.88 1i81 n LEU 15 Cb 0.19 -0.70 1.03 0.00 -1.62 0.00 0.00 43.42 42.33 1i81 n LEU 15 CO 0.27 -0.75 1.12 0.44 -1.22 0.00 0.00 177.39 177.24 1i81 h ASP 16 N 0.00 0.00 0.34 -1.43 5.19 -1.80 0.29 116.42 119.01 1i81 h ASP 16 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1i81 h ASP 16 Cb 0.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1i81 h ASP 16 CO 0.00 0.01 -0.30 0.00 -3.12 0.00 0.00 179.24 175.83 1i81 h ALA 17 N 1.99 1.44 0.03 3.45 0.00 -1.47 -0.94 119.26 123.76 1i81 h ALA 17 Ca -0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 1i81 h ALA 17 Cb 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1i81 h ALA 17 CO 0.00 0.38 -0.85 -0.07 0.00 0.00 0.00 179.25 178.71 1i81 h LEU 18 N 0.00 0.70 -1.56 0.00 3.38 -0.61 -3.13 115.31 114.10 1i81 h LEU 18 Ca -0.00 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 1i81 h LEU 18 Cb 0.55 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1i81 h LEU 18 CO 0.04 1.39 0.24 1.23 0.09 0.00 0.00 178.44 181.43 1i81 h GLY 19 N 0.09 0.57 1.79 0.83 0.00 -0.98 -0.57 103.07 104.81 1i81 h GLY 19 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1i81 h GLY 19 CO 0.17 0.22 0.00 0.70 0.00 0.00 0.00 176.54 177.63 1i81 n ASN 20 N -4.45 0.00 -0.61 0.19 3.02 -0.40 -3.06 115.26 109.94 1i81 n ASN 20 Ca 0.03 0.22 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 1i81 n ASN 20 Cb 0.08 -0.40 0.10 0.00 -0.61 0.00 0.00 39.78 38.95 1i81 n ASN 20 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i81 n SER 21 N -1.40 2.43 -4.68 6.41 7.64 -0.25 -4.97 113.62 118.81 1i81 n SER 21 Ca 0.09 -1.69 -0.46 0.00 1.01 0.00 0.00 58.87 57.82 1i81 n SER 21 Cb 0.26 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1i81 n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i81 n LEU 22 N 0.75 3.46 -0.13 -3.43 4.77 -1.05 -0.58 117.00 120.80 1i81 n LEU 22 Ca 0.10 1.01 -0.02 0.00 -0.03 0.00 0.00 56.01 57.07 1i81 n LEU 22 Cb 0.38 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.03 1i81 n LEU 22 CO 0.09 -0.08 -0.02 0.59 -1.33 0.00 0.00 177.39 176.64 1i81 n ASN 23 N 5.39 -3.46 -4.47 -1.43 3.02 0.37 -4.98 115.26 109.70 1i81 n ASN 23 Ca 0.20 0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.53 1i81 n ASN 23 Cb 0.31 -1.10 -0.11 0.00 -0.61 0.00 0.00 39.78 38.27 1i81 n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1i81 s SER 24 N -2.47 3.64 0.16 6.41 0.01 0.25 -4.81 113.70 116.89 1i81 s SER 24 Ca 0.00 -0.87 -0.31 0.00 1.31 0.00 0.00 55.95 56.08 1i81 s SER 24 Cb 0.00 -0.36 -0.09 0.00 0.21 0.00 0.00 66.02 65.78 1i81 s SER 24 CO 0.00 0.09 1.46 -2.84 0.41 0.00 0.00 173.24 172.36 1i81 s PRO 25 N -3.01 4.28 0.22 12.44 0.02 -1.26 -2.13 135.00 145.56 1i81 s PRO 25 Ca 0.25 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.51 1i81 s PRO 25 Cb -0.07 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1i81 s PRO 25 CO 0.13 -0.49 0.01 0.14 -0.33 0.00 0.00 177.00 176.46 1i81 s VAL 26 N 0.91 0.90 -0.14 3.83 -7.23 -0.08 -4.85 120.40 113.75 1i81 s VAL 26 Ca 0.66 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1i81 s VAL 26 Cb -0.40 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1i81 s VAL 26 CO 0.33 -0.31 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.97 1i81 s ILE 27 N -3.51 1.96 -0.18 -0.62 1.01 -0.33 -2.69 121.20 116.84 1i81 s ILE 27 Ca 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1i81 s ILE 27 Cb 0.06 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1i81 s ILE 27 CO 0.08 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.85 1i81 s ILE 28 N 0.88 3.33 -0.23 2.92 -1.09 0.59 -0.25 121.20 127.36 1i81 s ILE 28 Ca -0.06 -0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1i81 s ILE 28 Cb -0.15 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1i81 s ILE 28 CO -0.03 0.46 0.02 -0.75 -1.23 0.00 0.00 174.94 173.41 1i81 s LYS 29 N 0.99 3.54 0.30 2.79 2.47 -0.38 -0.25 119.74 129.20 1i81 s LYS 29 Ca -0.00 -0.54 0.07 0.00 -1.56 0.00 0.00 55.97 53.93 1i81 s LYS 29 Cb -0.15 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 1i81 s LYS 29 CO -0.00 -0.17 0.36 -0.51 0.16 0.00 0.00 175.35 175.19 1i81 s LEU 30 N 1.48 3.91 0.81 5.43 1.43 0.32 0.03 118.68 132.09 1i81 s LEU 30 Ca 0.06 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1i81 s LEU 30 Cb -0.15 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.60 1i81 s LEU 30 CO 0.01 -0.28 1.17 -0.54 0.23 0.00 0.00 176.35 176.94 1i81 s LYS 31 N -4.03 1.74 0.00 1.70 1.02 0.01 -2.90 119.74 117.27 1i81 s LYS 31 Ca 0.40 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1i81 s LYS 31 Cb -0.08 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1i81 s LYS 31 CO 0.28 -2.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.02 1i81 n GLY 32 N 0.08 0.52 2.39 -3.33 0.00 -1.26 -3.89 105.19 99.70 1i81 n GLY 32 Ca 0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1i81 n GLY 32 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i81 n ASP 33 N 0.14 -4.27 -4.91 1.61 2.03 -1.14 -5.03 116.55 104.97 1i81 n ASP 33 Ca 0.00 -0.09 -0.31 0.00 0.52 0.00 0.00 54.79 54.91 1i81 n ASP 33 Cb 0.00 -3.31 -0.04 0.00 -0.72 0.00 0.00 41.12 37.04 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1i81 s ARG 34 N -4.94 3.55 -0.03 -0.67 3.52 -1.17 -4.96 118.95 114.25 1i81 s ARG 34 Ca 0.09 -0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 55.44 1i81 s ARG 34 Cb -0.04 -2.90 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1i81 s ARG 34 CO 0.11 0.49 0.07 -2.00 -0.81 0.00 0.00 175.30 173.17 1i81 s GLU 35 N -2.73 0.08 0.15 5.12 2.12 -1.26 -0.52 118.70 121.66 1i81 s GLU 35 Ca 0.39 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.91 1i81 s GLU 35 Cb -0.12 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1i81 s GLU 35 CO 0.26 -0.02 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.74 1i81 s PHE 36 N 0.11 1.65 -0.04 5.30 0.08 0.65 -0.76 117.98 124.97 1i81 s PHE 36 Ca -0.01 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 1i81 s PHE 36 Cb -0.01 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1i81 s PHE 36 CO -0.00 0.25 0.10 1.03 -0.10 0.00 0.00 175.22 176.49 1i81 s ARG 37 N -2.73 0.10 0.00 0.44 0.52 -0.36 -0.30 118.95 116.62 1i81 s ARG 37 Ca 0.13 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1i81 s ARG 37 Cb -0.05 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.45 1i81 s ARG 37 CO 0.05 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1i81 n GLY 38 N 3.13 -1.56 3.67 -3.53 0.00 -1.10 0.08 105.19 105.89 1i81 n GLY 38 Ca -0.14 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1i81 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i81 s VAL 39 N -2.59 5.11 -0.05 1.61 1.01 -0.53 -0.90 120.40 124.06 1i81 s VAL 39 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 1i81 s VAL 39 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1i81 s VAL 39 CO 0.00 0.19 1.35 -0.22 0.00 0.00 0.00 175.10 176.42 1i81 s LEU 40 N 1.57 4.28 -0.06 3.92 2.96 -0.90 -0.33 118.68 130.12 1i81 s LEU 40 Ca 0.24 1.97 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 1i81 s LEU 40 Cb -0.15 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 1i81 s LEU 40 CO 0.10 -0.71 0.03 0.29 -1.32 0.00 0.00 176.35 174.74 1i81 n LYS 41 N 5.73 2.69 -3.53 1.98 4.76 -0.29 0.14 118.16 129.65 1i81 n LYS 41 Ca 0.13 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.47 1i81 n LYS 41 Cb 0.44 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1i81 n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1i81 s SER 42 N -3.74 -0.40 -0.12 4.39 0.15 -1.23 -4.87 113.70 107.87 1i81 s SER 42 Ca -0.03 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.23 1i81 s SER 42 Cb 0.02 0.48 0.13 0.00 -1.71 0.00 0.00 66.02 64.94 1i81 s SER 42 CO 0.28 -0.80 1.04 0.72 1.20 0.00 0.00 173.24 175.67 1i81 s PHE 43 N -3.38 -0.27 0.36 3.44 -0.12 -1.26 -1.51 117.98 115.24 1i81 s PHE 43 Ca 0.05 0.28 0.01 0.00 -0.05 0.00 0.00 56.93 57.22 1i81 s PHE 43 Cb -0.01 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1i81 s PHE 43 CO -0.08 -0.36 0.03 -0.40 -0.05 0.00 0.00 175.22 174.36 1i81 n ASP 44 N 0.12 2.59 0.29 1.98 5.68 -0.90 -4.97 116.55 121.34 1i81 n ASP 44 Ca -0.06 -2.65 0.16 0.00 -0.50 0.00 0.00 54.79 51.74 1i81 n ASP 44 Cb 0.59 0.39 0.86 0.00 -1.14 0.00 0.00 41.12 41.82 1i81 n ASP 44 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1i81 h LEU 45 N 0.00 0.00 -0.01 -2.12 -0.00 -2.03 0.64 115.31 111.79 1i81 h LEU 45 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1i81 h LEU 45 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1i81 h LEU 45 CO 0.49 0.06 -0.07 1.41 -0.00 0.00 0.00 178.44 180.32 1i81 n HIS 46 N -3.51 0.00 -1.04 0.17 8.25 -1.26 -4.90 115.22 112.93 1i81 n HIS 46 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1i81 n HIS 46 Cb 0.18 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 1i81 n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1i81 n MET 47 N -1.45 -0.10 -2.21 -0.41 2.81 0.22 -4.26 117.12 111.71 1i81 n MET 47 Ca 0.08 0.55 -0.38 0.00 -1.81 0.00 0.00 57.70 56.13 1i81 n MET 47 Cb 0.33 -4.11 -0.01 0.00 -0.71 0.00 0.00 33.22 28.72 1i81 n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1i81 s ASN 48 N -2.97 6.34 0.11 7.83 0.01 -1.26 -3.69 114.94 121.31 1i81 s ASN 48 Ca 0.00 2.42 -0.17 0.00 -0.71 0.00 0.00 52.86 54.39 1i81 s ASN 48 Cb 0.00 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1i81 s ASN 48 CO 0.00 -0.81 0.43 -1.48 -1.51 0.00 0.00 177.10 173.73 1i81 s LEU 49 N -2.65 0.28 -0.06 0.60 0.05 0.15 -2.12 118.68 114.92 1i81 s LEU 49 Ca 0.59 -0.21 0.04 0.00 0.05 0.00 0.00 54.13 54.59 1i81 s LEU 49 Cb -0.32 1.92 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 1i81 s LEU 49 CO 0.40 -0.83 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.52 1i81 s VAL 50 N -3.54 2.85 0.10 1.48 1.01 -0.57 0.05 120.40 121.78 1i81 s VAL 50 Ca 0.01 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1i81 s VAL 50 Cb 0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1i81 s VAL 50 CO -0.10 0.57 -0.24 -0.76 0.00 0.00 0.00 175.10 174.57 1i81 s LEU 51 N -0.43 2.28 0.14 3.92 1.43 -0.46 -1.13 118.68 124.43 1i81 s LEU 51 Ca 0.05 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1i81 s LEU 51 Cb -0.12 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1i81 s LEU 51 CO 0.02 0.14 -0.07 0.20 0.23 0.00 0.00 176.35 176.86 1i81 s ASN 52 N -1.83 4.46 -1.54 2.29 -0.87 0.56 -1.68 114.94 116.33 1i81 s ASN 52 Ca 0.10 -0.44 -0.08 0.00 -1.57 0.00 0.00 52.86 50.87 1i81 s ASN 52 Cb -0.10 -0.86 0.07 0.00 -0.02 0.00 0.00 41.25 40.34 1i81 s ASN 52 CO 0.04 0.14 0.56 0.47 -2.57 0.00 0.00 177.10 175.74 1i81 n ASP 53 N 0.31 -1.61 -4.81 -1.22 8.00 -1.07 -1.45 116.55 114.72 1i81 n ASP 53 Ca -0.12 -1.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.03 1i81 n ASP 53 Cb 0.54 -2.88 -0.04 0.00 -0.02 0.00 0.00 41.12 38.72 1i81 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i81 s ALA 54 N -3.69 2.92 0.02 2.24 0.00 0.37 -4.55 121.76 119.08 1i81 s ALA 54 Ca 0.33 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1i81 s ALA 54 Cb -0.18 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1i81 s ALA 54 CO 0.91 -0.19 -0.08 -1.21 0.00 0.00 0.00 175.76 175.18 1i81 s GLU 55 N -3.26 0.56 -0.18 0.00 2.02 0.11 -1.59 118.70 116.37 1i81 s GLU 55 Ca 0.65 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 55.05 1i81 s GLU 55 Cb -0.14 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 1i81 s GLU 55 CO 0.19 0.11 0.00 -2.00 0.02 0.00 0.00 175.26 173.57 1i81 s GLU 56 N -0.95 3.73 0.31 1.61 2.12 -0.20 -1.23 118.70 124.09 1i81 s GLU 56 Ca -0.03 -0.48 0.09 0.00 0.36 0.00 0.00 54.97 54.91 1i81 s GLU 56 Cb -0.07 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1i81 s GLU 56 CO 0.00 0.17 0.08 -0.51 -0.54 0.00 0.00 175.26 174.47 1i81 s LEU 57 N 0.57 3.25 -0.29 2.70 1.02 0.06 -0.73 118.68 125.27 1i81 s LEU 57 Ca -0.01 -0.71 0.04 0.00 0.02 0.00 0.00 54.13 53.47 1i81 s LEU 57 Cb -0.14 -1.74 0.18 0.00 0.02 0.00 0.00 46.19 44.52 1i81 s LEU 57 CO 0.02 -0.17 0.52 -0.70 0.02 0.00 0.00 176.35 176.05 1i81 s GLU 58 N -3.77 0.51 -0.51 1.70 -6.30 0.02 -3.98 118.70 106.36 1i81 s GLU 58 Ca 0.35 0.44 -0.01 0.00 -2.50 0.00 0.00 54.97 53.26 1i81 s GLU 58 Cb -0.04 0.06 0.00 0.00 0.00 0.00 0.00 34.13 34.15 1i81 s GLU 58 CO 0.22 -1.00 0.07 -0.25 0.02 0.00 0.00 175.26 174.32 1i81 n ASP 59 N 5.40 -2.65 0.00 -1.70 10.43 -1.26 -3.11 116.55 123.66 1i81 n ASP 59 Ca 0.03 -0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.35 1i81 n ASP 59 Cb 0.52 -1.84 0.00 0.00 1.84 0.00 0.00 41.12 41.65 1i81 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i81 n GLY 60 N -1.00 2.95 3.79 0.44 0.00 -1.26 -5.01 105.19 105.10 1i81 n GLY 60 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1i81 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i81 s GLU 61 N -0.20 4.52 -0.47 1.61 0.41 -1.18 -5.01 118.70 118.37 1i81 s GLU 61 Ca 0.00 1.29 -0.22 0.00 -0.41 0.00 0.00 54.97 55.63 1i81 s GLU 61 Cb 0.00 -2.69 0.03 0.00 -1.78 0.00 0.00 34.13 29.70 1i81 s GLU 61 CO 0.00 0.22 0.77 0.08 -0.49 0.00 0.00 175.26 175.84 1i81 s VAL 62 N -1.72 4.66 -0.03 2.63 1.01 -1.26 -0.80 120.40 124.89 1i81 s VAL 62 Ca 0.52 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.49 1i81 s VAL 62 Cb -0.17 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.66 1i81 s VAL 62 CO 0.22 -0.78 1.13 0.71 0.00 0.00 0.00 175.10 176.37 1i81 h THR 63 N 5.95 1.48 -3.43 3.92 1.35 -1.26 -3.48 112.91 117.45 1i81 h THR 63 Ca -0.25 -1.70 -0.08 0.00 -0.55 0.00 0.00 66.41 63.83 1i81 h THR 63 Cb 1.09 2.49 -0.15 0.00 -1.73 0.00 0.00 68.15 69.85 1i81 h THR 63 CO 0.97 0.47 -0.21 0.00 -0.25 0.00 0.00 175.52 176.51 1i81 s ARG 64 N -3.53 0.91 -0.17 4.72 1.70 -1.20 -5.02 118.95 116.36 1i81 s ARG 64 Ca -0.15 -0.67 -0.04 0.00 -0.47 0.00 0.00 55.73 54.40 1i81 s ARG 64 Cb 0.02 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1i81 s ARG 64 CO 0.74 -0.32 -0.04 0.50 -1.08 0.00 0.00 175.30 175.10 1i81 s ARG 65 N -3.26 3.59 0.00 3.89 3.52 -1.26 -1.04 118.95 124.39 1i81 s ARG 65 Ca -0.00 -0.55 0.11 0.00 -0.13 0.00 0.00 55.73 55.16 1i81 s ARG 65 Cb 0.01 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 1i81 s ARG 65 CO -0.08 0.12 0.65 1.28 -0.81 0.00 0.00 175.30 176.46 1i81 n LEU 66 N 3.88 1.18 0.00 -0.88 4.77 -0.62 -5.01 117.00 120.32 1i81 n LEU 66 Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1i81 n LEU 66 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i81 n LEU 66 CO 0.32 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1i81 n GLY 67 N 1.00 3.72 3.75 -0.72 0.00 -1.18 -4.56 105.19 107.19 1i81 n GLY 67 Ca 0.04 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1i81 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i81 s THR 68 N 0.00 4.04 -0.16 2.61 2.01 -1.26 -0.48 115.64 122.41 1i81 s THR 68 Ca 0.00 1.96 -0.15 0.00 0.31 0.00 0.00 61.69 63.81 1i81 s THR 68 Cb 0.00 -4.25 0.04 0.00 0.01 0.00 0.00 72.50 68.30 1i81 s THR 68 CO 0.00 0.43 0.43 0.54 -0.69 0.00 0.00 174.62 175.33 1i81 s VAL 69 N -0.89 0.00 -0.25 3.82 0.11 -0.67 -4.97 120.40 117.54 1i81 s VAL 69 Ca 0.43 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.40 1i81 s VAL 69 Cb -0.27 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1i81 s VAL 69 CO 0.33 -0.01 0.06 -0.22 -3.33 0.00 0.00 175.10 171.93 1i81 s LEU 70 N 0.15 3.39 -0.14 2.54 2.96 -1.26 -1.35 118.68 124.97 1i81 s LEU 70 Ca -0.01 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1i81 s LEU 70 Cb -0.03 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1i81 s LEU 70 CO 0.01 -0.04 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.35 1i81 s ILE 71 N 1.60 4.06 0.08 6.68 1.01 0.11 -4.95 121.20 129.78 1i81 s ILE 71 Ca 0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1i81 s ILE 71 Cb -0.15 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1i81 s ILE 71 CO 0.03 0.51 1.02 -0.13 0.00 0.00 0.00 174.94 176.37 1i81 s ARG 72 N 0.09 4.60 0.29 2.79 0.52 -1.26 -0.68 118.95 125.31 1i81 s ARG 72 Ca 0.00 1.53 -0.00 0.00 -0.52 0.00 0.00 55.73 56.74 1i81 s ARG 72 Cb -0.13 -3.38 0.49 0.00 0.52 0.00 0.00 34.95 32.44 1i81 s ARG 72 CO 0.02 0.05 1.91 0.78 0.02 0.00 0.00 175.30 178.08 1i81 h GLY 73 N 6.04 1.37 1.64 -3.53 0.00 -1.74 -2.89 103.07 103.96 1i81 h GLY 73 Ca -0.42 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1i81 h GLY 73 CO 0.74 0.32 0.16 -1.80 0.00 0.00 0.00 176.54 175.96 1i81 h ASP 74 N 1.08 0.00 0.05 0.19 3.58 -1.90 -0.52 116.42 118.90 1i81 h ASP 74 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1i81 h ASP 74 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1i81 h ASP 74 CO -0.15 0.00 -0.19 0.59 -2.88 0.00 0.00 179.24 176.61 1i81 n ASN 75 N -2.66 1.85 -4.74 2.28 3.02 -1.09 -4.95 115.26 108.97 1i81 n ASN 75 Ca -0.02 -1.45 -0.40 0.00 -0.03 0.00 0.00 54.58 52.67 1i81 n ASN 75 Cb 0.21 0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 1i81 n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i81 s ILE 76 N -2.26 4.73 -0.19 2.41 1.01 -0.21 -0.81 121.20 125.88 1i81 s ILE 76 Ca 0.27 1.74 -0.15 0.00 0.00 0.00 0.00 60.65 62.51 1i81 s ILE 76 Cb 0.20 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 1i81 s ILE 76 CO 0.44 0.32 -0.19 0.52 0.00 0.00 0.00 174.94 176.04 1i81 n VAL 77 N 3.00 1.48 -3.77 2.92 0.31 0.10 -4.83 118.33 117.55 1i81 n VAL 77 Ca -0.01 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 1i81 n VAL 77 Cb 0.50 -2.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.15 1i81 n VAL 77 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1i81 s TYR 78 N -2.51 0.01 -0.11 3.52 -0.85 -1.08 -5.03 117.35 111.30 1i81 s TYR 78 Ca -0.26 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 1i81 s TYR 78 Cb 0.06 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.51 1i81 s TYR 78 CO 0.40 -0.63 -0.11 0.42 -1.52 0.00 0.00 175.55 174.10 1i81 s ILE 79 N -3.84 1.24 -0.45 -3.49 1.01 -1.26 -1.24 121.20 113.16 1i81 s ILE 79 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1i81 s ILE 79 Cb 0.03 -1.18 0.09 0.00 0.01 0.00 0.00 42.46 41.41 1i81 s ILE 79 CO -0.10 0.40 0.33 -0.55 0.00 0.00 0.00 174.94 175.01 1i81 s SER 80 N 1.27 5.84 0.00 3.58 0.15 0.66 -4.97 113.70 120.23 1i81 s SER 80 Ca -0.02 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.11 1i81 s SER 80 Cb -0.14 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1i81 s SER 80 CO -0.04 -0.61 0.33 -2.65 1.20 0.00 0.00 173.24 171.47