#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 s ASN 10 N 0.00 7.17 0.10 4.52 3.04 -1.26 -4.89 114.94 123.62 1i81 s ASN 10 Ca 0.00 1.85 0.04 0.00 0.04 0.00 0.00 52.86 54.78 1i81 s ASN 10 Cb 0.00 -2.57 0.20 0.00 -1.54 0.00 0.00 41.25 37.34 1i81 s ASN 10 CO 0.00 -0.43 0.92 1.33 -3.04 0.00 0.00 177.10 175.88 1i81 n VAL 11 N 4.09 0.96 0.18 -5.21 0.24 -1.26 0.81 118.33 118.14 1i81 n VAL 11 Ca 0.08 0.57 0.02 0.00 -2.04 0.00 0.00 64.34 62.98 1i81 n VAL 11 Cb 0.48 -1.57 0.02 0.00 -1.47 0.00 0.00 33.84 31.29 1i81 n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i81 n GLN 12 N -1.50 -0.25 -3.71 7.34 6.02 -1.26 -4.85 117.38 119.17 1i81 n GLN 12 Ca -0.00 -0.73 -0.28 0.00 -0.01 0.00 0.00 57.00 55.97 1i81 n GLN 12 Cb 0.26 -1.07 -0.12 0.00 1.02 0.00 0.00 30.24 30.33 1i81 n GLN 12 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i81 s ARG 13 N -0.38 1.68 0.44 -1.09 6.06 0.24 -4.95 118.95 120.95 1i81 s ARG 13 Ca 0.05 -2.59 0.14 0.00 -2.50 0.00 0.00 55.73 50.83 1i81 s ARG 13 Cb 0.04 -2.57 0.96 0.00 0.06 0.00 0.00 34.95 33.44 1i81 s ARG 13 CO 0.06 -1.27 1.98 -1.35 -2.50 0.00 0.00 175.30 172.21 1i81 h PRO 14 N 5.91 0.02 0.00 5.12 0.11 -1.89 -2.52 132.00 138.76 1i81 h PRO 14 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1i81 h PRO 14 Cb 0.85 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1i81 h PRO 14 CO 0.56 0.21 0.00 -0.07 -0.21 0.00 0.00 178.00 178.49 1i81 h LEU 15 N 0.02 0.00 -1.90 2.35 -0.00 -1.92 -1.88 115.31 111.98 1i81 h LEU 15 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1i81 h LEU 15 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1i81 h LEU 15 CO 0.02 0.00 -0.10 0.44 -0.00 0.00 0.00 178.44 178.81 1i81 h ASP 16 N 0.00 0.00 -0.40 -0.43 3.32 -1.82 -1.93 116.42 115.16 1i81 h ASP 16 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1i81 h ASP 16 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1i81 h ASP 16 CO 0.00 0.10 0.21 0.00 -1.72 0.00 0.00 179.24 177.82 1i81 h ALA 17 N 1.90 1.54 0.01 3.45 0.00 -1.55 0.08 119.26 124.69 1i81 h ALA 17 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1i81 h ALA 17 Cb 0.36 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i81 h ALA 17 CO 0.01 0.37 -0.79 -0.07 0.00 0.00 0.00 179.25 178.77 1i81 h LEU 18 N 0.61 0.67 -0.81 0.00 3.38 -1.55 -3.10 115.31 114.52 1i81 h LEU 18 Ca 0.15 -0.76 0.11 0.00 0.09 0.00 0.00 57.88 57.47 1i81 h LEU 18 Cb 0.07 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1i81 h LEU 18 CO -0.02 1.35 0.44 1.23 0.09 0.00 0.00 178.44 181.53 1i81 h GLY 19 N 0.07 1.27 1.70 0.83 0.00 -1.10 0.28 103.07 106.12 1i81 h GLY 19 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1i81 h GLY 19 CO 0.15 0.06 0.00 0.70 0.00 0.00 0.00 176.54 177.46 1i81 n ASN 20 N -4.81 0.00 -0.63 0.19 3.02 -0.06 -2.96 115.26 110.01 1i81 n ASN 20 Ca 0.14 0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.93 1i81 n ASN 20 Cb 0.33 -0.35 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.35 2.32 -4.58 6.41 7.64 0.96 -4.99 113.62 120.03 1i81 n SER 21 Ca 0.08 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.88 1i81 n SER 21 Cb 0.18 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.88 2.08 -1.88 -3.43 4.77 -1.01 -1.09 117.00 117.32 1i81 n LEU 22 Ca 0.09 1.04 -0.16 0.00 -0.03 0.00 0.00 56.01 56.95 1i81 n LEU 22 Cb 0.39 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1i81 n LEU 22 CO 0.10 -1.67 -0.18 0.59 -1.33 0.00 0.00 177.39 174.90 1i81 n ASN 23 N 0.74 -4.58 -4.28 -1.43 3.02 0.26 -4.95 115.26 104.04 1i81 n ASN 23 Ca 0.10 0.27 -0.22 0.00 -0.03 0.00 0.00 54.58 54.70 1i81 n ASN 23 Cb 0.38 -4.01 -0.12 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.24 2.41 0.36 6.41 0.01 -0.25 -4.88 113.70 115.51 1i81 s SER 24 Ca 0.00 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.24 1i81 s SER 24 Cb 0.00 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 1i81 s SER 24 CO 0.00 -0.01 1.34 -2.84 0.41 0.00 0.00 173.24 172.15 1i81 s PRO 25 N -2.22 4.22 0.05 12.44 0.02 -1.26 -2.01 135.00 146.24 1i81 s PRO 25 Ca 0.08 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.33 1i81 s PRO 25 Cb -0.08 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 1i81 s PRO 25 CO 0.04 -0.33 0.08 0.14 -0.33 0.00 0.00 177.00 176.60 1i81 s VAL 26 N -1.16 0.16 -0.17 3.83 -7.23 -0.45 -4.63 120.40 110.75 1i81 s VAL 26 Ca 0.51 -1.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1i81 s VAL 26 Cb -0.41 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1i81 s VAL 26 CO 0.54 -0.73 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.86 1i81 s ILE 27 N -3.30 3.02 -0.26 -0.62 1.01 0.06 -2.46 121.20 118.65 1i81 s ILE 27 Ca 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1i81 s ILE 27 Cb 0.03 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1i81 s ILE 27 CO -0.08 0.49 0.02 -0.63 0.00 0.00 0.00 174.94 174.74 1i81 s ILE 28 N 0.89 3.65 -0.25 2.92 -1.09 0.16 -0.59 121.20 126.88 1i81 s ILE 28 Ca -0.03 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1i81 s ILE 28 Cb -0.15 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 1i81 s ILE 28 CO -0.00 0.23 0.20 -0.75 -1.23 0.00 0.00 174.94 173.39 1i81 s LYS 29 N 1.48 4.03 0.29 2.79 2.47 -0.25 -0.81 119.74 129.73 1i81 s LYS 29 Ca 0.03 -0.24 0.07 0.00 -1.56 0.00 0.00 55.97 54.28 1i81 s LYS 29 Cb -0.16 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.58 1i81 s LYS 29 CO -0.00 -0.06 0.24 -0.51 0.16 0.00 0.00 175.35 175.18 1i81 s LEU 30 N 1.41 3.73 0.46 5.43 1.43 -0.37 0.67 118.68 131.45 1i81 s LEU 30 Ca 0.09 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1i81 s LEU 30 Cb -0.15 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.70 1i81 s LEU 30 CO 0.08 -0.17 1.23 -0.54 0.23 0.00 0.00 176.35 177.17 1i81 s LYS 31 N -3.91 3.69 0.00 1.70 1.02 0.19 -1.89 119.74 120.53 1i81 s LYS 31 Ca 0.36 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.29 1i81 s LYS 31 Cb -0.07 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1i81 s LYS 31 CO 0.26 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1i81 n GLY 32 N 0.56 0.77 2.51 -3.33 0.00 -1.26 -4.24 105.19 100.20 1i81 n GLY 32 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1i81 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i81 n ASP 33 N 0.07 -4.80 -4.79 1.61 8.00 -0.79 -4.98 116.55 110.86 1i81 n ASP 33 Ca 0.00 0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.48 1i81 n ASP 33 Cb 0.00 -3.86 0.04 0.00 -0.02 0.00 0.00 41.12 37.28 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i81 s ARG 34 N -2.96 2.96 -0.02 -1.24 0.52 -1.21 -4.83 118.95 112.18 1i81 s ARG 34 Ca 0.00 1.21 0.02 0.00 -0.52 0.00 0.00 55.73 56.44 1i81 s ARG 34 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1i81 s ARG 34 CO 0.00 -1.10 -0.07 -2.00 0.02 0.00 0.00 175.30 172.16 1i81 s GLU 35 N -4.36 0.70 0.03 3.54 2.12 -1.23 -1.24 118.70 118.26 1i81 s GLU 35 Ca 0.63 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.79 1i81 s GLU 35 Cb -0.17 -0.68 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 1i81 s GLU 35 CO 0.44 0.09 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.02 1i81 s PHE 36 N 0.14 1.51 -0.02 5.30 0.08 0.01 -0.23 117.98 124.77 1i81 s PHE 36 Ca -0.02 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1i81 s PHE 36 Cb -0.07 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 1i81 s PHE 36 CO -0.00 0.04 -0.02 1.03 -0.10 0.00 0.00 175.22 176.17 1i81 s ARG 37 N -0.93 0.41 0.00 0.44 0.52 -0.43 0.36 118.95 119.32 1i81 s ARG 37 Ca 0.05 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1i81 s ARG 37 Cb -0.08 -0.49 0.00 0.00 0.52 0.00 0.00 34.95 34.90 1i81 s ARG 37 CO 0.01 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1i81 n GLY 38 N 3.72 -1.26 3.66 -3.53 0.00 -1.03 -0.61 105.19 106.14 1i81 n GLY 38 Ca -0.22 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.01 4.91 -0.09 1.61 1.01 -0.80 -1.34 120.40 123.70 1i81 s VAL 39 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 1i81 s VAL 39 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1i81 s VAL 39 CO 0.00 0.02 1.48 -0.22 0.00 0.00 0.00 175.10 176.38 1i81 s LEU 40 N 2.30 4.27 -0.17 3.92 2.96 -0.85 -1.15 118.68 129.96 1i81 s LEU 40 Ca 0.34 2.01 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 1i81 s LEU 40 Cb -0.16 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 1i81 s LEU 40 CO 0.10 -0.85 -0.09 0.29 -1.32 0.00 0.00 176.35 174.48 1i81 n LYS 41 N 6.79 0.84 -3.77 1.98 4.76 0.27 0.89 118.16 129.92 1i81 n LYS 41 Ca 0.16 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 1i81 n LYS 41 Cb 0.44 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 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 -5.41 -0.26 -0.07 4.39 0.15 -1.20 -4.81 113.70 106.48 1i81 s SER 42 Ca -0.19 -0.53 -0.31 0.00 0.70 0.00 0.00 55.95 55.63 1i81 s SER 42 Cb 0.06 0.61 0.12 0.00 -1.71 0.00 0.00 66.02 65.09 1i81 s SER 42 CO 0.46 -1.12 1.03 0.72 1.20 0.00 0.00 173.24 175.53 1i81 s PHE 43 N -3.89 -0.24 0.41 3.44 -0.12 -1.26 -1.37 117.98 114.96 1i81 s PHE 43 Ca 0.11 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 57.14 1i81 s PHE 43 Cb -0.02 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1i81 s PHE 43 CO -0.00 -0.41 0.09 -0.40 -0.05 0.00 0.00 175.22 174.44 1i81 n ASP 44 N -0.20 1.96 0.28 1.98 5.68 -0.85 -4.96 116.55 120.44 1i81 n ASP 44 Ca -0.05 -3.03 0.13 0.00 -0.50 0.00 0.00 54.79 51.34 1i81 n ASP 44 Cb 0.60 0.73 0.81 0.00 -1.14 0.00 0.00 41.12 42.12 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 -0.12 -2.12 -0.00 -2.02 0.69 115.31 111.74 1i81 h LEU 45 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1i81 h LEU 45 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1i81 h LEU 45 CO 0.53 0.02 0.00 1.41 -0.00 0.00 0.00 178.44 180.40 1i81 n HIS 46 N -4.04 0.01 -1.41 0.17 8.25 -1.26 -4.88 115.22 112.06 1i81 n HIS 46 Ca -0.03 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 1i81 n HIS 46 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.78 -0.85 -2.41 -0.41 2.81 0.23 -4.02 117.12 111.70 1i81 n MET 47 Ca 0.19 0.90 -0.37 0.00 -1.81 0.00 0.00 57.70 56.62 1i81 n MET 47 Cb 0.12 -4.93 -0.03 0.00 -0.71 0.00 0.00 33.22 27.67 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 -2.84 6.46 0.15 7.83 0.01 -1.26 -3.64 114.94 121.65 1i81 s ASN 48 Ca 0.00 2.16 -0.13 0.00 -0.71 0.00 0.00 52.86 54.18 1i81 s ASN 48 Cb 0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1i81 s ASN 48 CO 0.00 -0.71 0.37 -1.48 -1.51 0.00 0.00 177.10 173.77 1i81 s LEU 49 N -2.86 0.65 -0.08 0.60 0.05 -0.13 -2.00 118.68 114.90 1i81 s LEU 49 Ca 0.61 -0.60 0.05 0.00 0.05 0.00 0.00 54.13 54.24 1i81 s LEU 49 Cb -0.25 1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 45.48 1i81 s LEU 49 CO 0.31 -0.91 -0.24 -0.69 -0.55 0.00 0.00 176.35 174.26 1i81 s VAL 50 N -3.89 2.07 0.03 1.48 1.01 -0.47 -0.01 120.40 120.62 1i81 s VAL 50 Ca 0.10 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1i81 s VAL 50 Cb 0.02 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1i81 s VAL 50 CO -0.05 0.57 -0.26 -0.76 0.00 0.00 0.00 175.10 174.59 1i81 s LEU 51 N 0.08 2.15 -0.05 3.92 1.43 -0.33 -0.57 118.68 125.31 1i81 s LEU 51 Ca -0.11 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1i81 s LEU 51 Cb -0.16 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1i81 s LEU 51 CO 0.06 0.27 0.04 0.20 0.23 0.00 0.00 176.35 177.16 1i81 s ASN 52 N -1.13 5.49 -1.49 2.29 0.01 -0.30 -1.56 114.94 118.26 1i81 s ASN 52 Ca 0.11 0.15 -0.06 0.00 -0.71 0.00 0.00 52.86 52.35 1i81 s ASN 52 Cb -0.10 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 40.02 1i81 s ASN 52 CO 0.02 0.33 0.64 0.47 -1.51 0.00 0.00 177.10 177.05 1i81 n ASP 53 N 1.66 -5.59 -4.70 -1.22 8.00 0.57 -1.90 116.55 113.37 1i81 n ASP 53 Ca -0.16 -0.35 -0.35 0.00 0.71 0.00 0.00 54.79 54.65 1i81 n ASP 53 Cb 0.53 -4.52 0.11 0.00 -0.02 0.00 0.00 41.12 37.22 1i81 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i81 n ALA 54 N -3.71 0.27 -3.40 2.24 0.00 0.08 -4.67 120.51 111.31 1i81 n ALA 54 Ca -0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1i81 n ALA 54 Cb 0.60 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.63 1i81 n ALA 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i81 s GLU 55 N -3.88 0.01 -0.08 0.00 2.02 0.22 -0.75 118.70 116.24 1i81 s GLU 55 Ca 0.76 0.15 -0.08 0.00 0.02 0.00 0.00 54.97 55.82 1i81 s GLU 55 Cb -0.32 -0.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.74 1i81 s GLU 55 CO 0.48 -0.10 0.20 -2.00 0.02 0.00 0.00 175.26 173.86 1i81 s GLU 56 N 0.65 3.54 0.26 1.61 2.12 -0.44 -1.32 118.70 125.12 1i81 s GLU 56 Ca -0.05 -0.04 0.11 0.00 0.36 0.00 0.00 54.97 55.35 1i81 s GLU 56 Cb -0.07 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1i81 s GLU 56 CO -0.02 0.75 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.75 1i81 s LEU 57 N -1.14 2.58 -0.17 2.70 1.43 0.68 -0.20 118.68 124.56 1i81 s LEU 57 Ca 0.18 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1i81 s LEU 57 Cb -0.13 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.17 1i81 s LEU 57 CO 0.07 -0.01 0.35 -1.61 0.23 0.00 0.00 176.35 175.38 1i81 s GLU 58 N -3.54 0.25 -1.99 1.70 2.02 0.11 -3.53 118.70 113.71 1i81 s GLU 58 Ca 0.28 0.89 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1i81 s GLU 58 Cb -0.04 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1i81 s GLU 58 CO 0.13 -0.28 0.00 -3.47 0.02 0.00 0.00 175.26 171.66 1i81 n ASP 59 N 5.37 -5.03 0.00 -0.19 2.03 -1.26 -0.79 116.55 116.69 1i81 n ASP 59 Ca -0.07 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1i81 n ASP 59 Cb 0.50 -4.47 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 1i81 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i81 n GLY 60 N -0.39 0.83 3.22 0.27 0.00 -1.26 -5.08 105.19 102.77 1i81 n GLY 60 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1i81 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i81 s GLU 61 N -0.78 1.67 0.84 1.61 2.56 0.03 -5.09 118.70 119.55 1i81 s GLU 61 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 54.97 54.09 1i81 s GLU 61 Cb 0.00 -1.62 0.03 0.00 2.00 0.00 0.00 34.13 34.54 1i81 s GLU 61 CO 0.00 0.44 0.66 0.28 -0.56 0.00 0.00 175.26 176.08 1i81 n VAL 62 N 2.56 1.07 0.00 3.70 0.31 -1.26 0.05 118.33 124.77 1i81 n VAL 62 Ca -0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1i81 n VAL 62 Cb 0.53 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1i81 n VAL 62 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1i81 n THR 63 N -3.14 0.00 -3.81 2.52 -1.04 0.72 -4.69 114.28 104.83 1i81 n THR 63 Ca 0.10 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.99 1i81 n THR 63 Cb 0.52 -0.36 -0.08 0.00 -1.82 0.00 0.00 70.33 68.58 1i81 n THR 63 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1i81 s ARG 64 N -1.53 0.68 -0.12 -2.82 3.52 -1.24 -4.99 118.95 112.45 1i81 s ARG 64 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1i81 s ARG 64 Cb 0.00 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1i81 s ARG 64 CO 0.00 -0.20 -0.14 1.03 -0.81 0.00 0.00 175.30 175.18 1i81 s ARG 65 N -2.15 3.31 0.03 5.12 1.81 -1.26 -1.33 118.95 124.48 1i81 s ARG 65 Ca -0.08 -0.71 0.07 0.00 -1.72 0.00 0.00 55.73 53.29 1i81 s ARG 65 Cb -0.03 -2.58 -0.02 0.00 -0.45 0.00 0.00 34.95 31.87 1i81 s ARG 65 CO -0.01 0.23 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.12 1i81 s LEU 66 N 0.30 2.13 0.00 2.53 1.43 0.07 -5.01 118.68 120.14 1i81 s LEU 66 Ca -0.11 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1i81 s LEU 66 Cb -0.16 -0.98 -0.26 0.00 0.03 0.00 0.00 46.19 44.82 1i81 s LEU 66 CO 0.06 0.18 0.85 1.23 0.23 0.00 0.00 176.35 178.90 1i81 h GLY 67 N 5.07 0.18 -5.29 -3.19 0.00 -1.91 0.26 103.07 98.19 1i81 h GLY 67 Ca -0.41 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 1i81 h GLY 67 CO 0.45 0.41 -0.14 -1.59 0.00 0.00 0.00 176.54 175.67 1i81 s THR 68 N -2.62 -0.25 -0.02 4.70 2.01 -1.26 -0.32 115.64 117.89 1i81 s THR 68 Ca -0.07 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1i81 s THR 68 Cb 0.08 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1i81 s THR 68 CO 0.84 0.02 0.06 0.54 -0.69 0.00 0.00 174.62 175.38 1i81 s VAL 69 N 1.90 0.02 -0.25 3.82 0.11 -0.60 -4.99 120.40 120.40 1i81 s VAL 69 Ca -0.08 -0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 58.72 1i81 s VAL 69 Cb -0.08 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1i81 s VAL 69 CO -0.17 -0.09 0.11 -0.22 -3.33 0.00 0.00 175.10 171.40 1i81 s LEU 70 N -0.26 3.64 -0.15 2.54 2.96 -1.26 -1.19 118.68 124.95 1i81 s LEU 70 Ca -0.03 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1i81 s LEU 70 Cb -0.02 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1i81 s LEU 70 CO 0.00 -0.03 0.02 -0.63 -1.32 0.00 0.00 176.35 174.39 1i81 s ILE 71 N 1.59 4.39 0.09 6.68 1.01 0.99 -4.96 121.20 130.99 1i81 s ILE 71 Ca 0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1i81 s ILE 71 Cb -0.15 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1i81 s ILE 71 CO 0.06 0.50 1.02 -0.13 0.00 0.00 0.00 174.94 176.39 1i81 s ARG 72 N 0.12 4.61 0.21 2.79 0.52 -1.26 -0.95 118.95 124.99 1i81 s ARG 72 Ca 0.02 1.54 -0.09 0.00 -0.52 0.00 0.00 55.73 56.68 1i81 s ARG 72 Cb -0.13 -3.38 0.26 0.00 0.52 0.00 0.00 34.95 32.22 1i81 s ARG 72 CO 0.02 0.06 1.81 0.78 0.02 0.00 0.00 175.30 177.98 1i81 h GLY 73 N 5.97 1.02 1.47 -3.53 0.00 -1.70 -2.90 103.07 103.40 1i81 h GLY 73 Ca -0.42 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1i81 h GLY 73 CO 0.74 0.16 0.24 -1.80 0.00 0.00 0.00 176.54 175.89 1i81 h ASP 74 N 0.71 0.00 -0.01 0.19 1.82 -1.89 -0.34 116.42 116.90 1i81 h ASP 74 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1i81 h ASP 74 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1i81 h ASP 74 CO -0.18 0.00 -0.03 0.59 -1.61 0.00 0.00 179.24 178.00 1i81 n ASN 75 N -2.69 2.19 -4.78 2.28 3.02 -1.09 -4.96 115.26 109.24 1i81 n ASN 75 Ca -0.02 -1.70 -0.39 0.00 -0.03 0.00 0.00 54.58 52.43 1i81 n ASN 75 Cb 0.29 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 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 -2.04 4.58 -0.20 2.41 1.01 -0.14 -0.64 121.20 126.18 1i81 s ILE 76 Ca 0.32 1.51 -0.16 0.00 0.00 0.00 0.00 60.65 62.32 1i81 s ILE 76 Cb 0.20 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 1i81 s ILE 76 CO 0.34 0.50 -0.18 0.52 0.00 0.00 0.00 174.94 176.12 1i81 n VAL 77 N 1.92 1.50 -3.65 2.92 0.31 0.21 -4.81 118.33 116.73 1i81 n VAL 77 Ca -0.07 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 1i81 n VAL 77 Cb 0.50 -2.17 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 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 -0.18 -0.12 3.52 -0.85 -1.07 -5.01 117.35 111.13 1i81 s TYR 78 Ca -0.28 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.13 1i81 s TYR 78 Cb 0.07 0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.68 1i81 s TYR 78 CO 0.43 -0.71 -0.11 0.42 -1.52 0.00 0.00 175.55 174.07 1i81 s ILE 79 N -3.81 1.23 -0.26 -3.49 1.01 -1.26 -1.09 121.20 113.53 1i81 s ILE 79 Ca 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1i81 s ILE 79 Cb 0.02 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.35 1i81 s ILE 79 CO -0.11 0.40 -0.09 -0.55 0.00 0.00 0.00 174.94 174.58 1i81 s SER 80 N 1.44 4.42 0.00 3.58 0.15 0.24 -4.95 113.70 118.58 1i81 s SER 80 Ca 0.01 -1.28 0.05 0.00 0.70 0.00 0.00 55.95 55.44 1i81 s SER 80 Cb -0.13 -1.58 0.30 0.00 -1.71 0.00 0.00 66.02 62.89 1i81 s SER 80 CO -0.07 -0.18 0.77 -2.65 1.20 0.00 0.00 173.24 172.31