#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 s VAL 9 N 0.00 0.17 -0.15 1.55 1.01 -1.26 -4.90 120.40 116.82 1i81 s VAL 9 Ca 0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 61.98 60.93 1i81 s VAL 9 Cb 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 36.38 35.23 1i81 s VAL 9 CO 0.00 -0.50 1.43 -3.20 0.00 0.00 0.00 175.10 172.83 1i81 n ASN 10 N 5.16 1.33 0.12 3.32 2.85 -1.26 -4.71 115.26 122.07 1i81 n ASN 10 Ca -0.06 1.13 0.05 0.00 -0.11 0.00 0.00 54.58 55.59 1i81 n ASN 10 Cb 0.45 -1.05 0.27 0.00 1.24 0.00 0.00 39.78 40.70 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 3.10 0.84 0.33 3.44 0.24 -1.26 -0.20 118.33 124.83 1i81 n VAL 11 Ca 0.23 0.67 0.04 0.00 -2.04 0.00 0.00 64.34 63.25 1i81 n VAL 11 Cb 0.10 -1.67 0.03 0.00 -1.47 0.00 0.00 33.84 30.82 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 -1.86 0.52 -3.39 7.34 6.02 -1.26 -4.81 117.38 119.94 1i81 n GLN 12 Ca -0.01 -0.89 -0.26 0.00 -0.01 0.00 0.00 57.00 55.83 1i81 n GLN 12 Cb 0.26 -1.13 -0.08 0.00 1.02 0.00 0.00 30.24 30.31 1i81 n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i81 n ARG 13 N 0.31 1.56 -0.20 -1.09 1.74 0.73 -4.94 116.66 114.76 1i81 n ARG 13 Ca 0.04 -3.98 0.21 0.00 -0.77 0.00 0.00 57.85 53.35 1i81 n ARG 13 Cb 0.19 -1.83 0.57 0.00 -1.02 0.00 0.00 32.46 30.37 1i81 n ARG 13 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1i81 h PRO 14 N 4.40 0.28 0.00 5.56 0.11 -1.88 0.41 132.00 140.89 1i81 h PRO 14 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1i81 h PRO 14 Cb 0.78 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1i81 h PRO 14 CO 0.64 0.19 0.00 -0.07 -0.21 0.00 0.00 178.00 178.55 1i81 h LEU 15 N 0.29 0.00 -2.38 2.35 4.07 -1.93 -1.67 115.31 116.05 1i81 h LEU 15 Ca 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.39 1i81 h LEU 15 Cb 1.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 1i81 h LEU 15 CO -0.12 0.00 -0.02 0.44 -1.08 0.00 0.00 178.44 177.66 1i81 h ASP 16 N 0.00 0.00 -0.55 -0.43 3.32 -1.28 -0.34 116.42 117.13 1i81 h ASP 16 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1i81 h ASP 16 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1i81 h ASP 16 CO 0.00 0.02 0.37 0.00 -1.72 0.00 0.00 179.24 177.90 1i81 h ALA 17 N 1.98 1.66 -0.19 3.45 0.00 -1.48 0.19 119.26 124.87 1i81 h ALA 17 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1i81 h ALA 17 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i81 h ALA 17 CO 0.00 0.29 -0.42 -0.07 0.00 0.00 0.00 179.25 179.05 1i81 h LEU 18 N 0.69 0.70 -0.78 0.00 3.38 -1.26 -3.10 115.31 114.94 1i81 h LEU 18 Ca 0.21 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1i81 h LEU 18 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1i81 h LEU 18 CO -0.05 1.13 0.51 1.23 0.09 0.00 0.00 178.44 181.35 1i81 h GLY 19 N 0.30 1.12 2.00 0.83 0.00 -1.14 -1.17 103.07 105.00 1i81 h GLY 19 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1i81 h GLY 19 CO 0.09 0.38 -0.00 3.43 0.00 0.00 0.00 176.54 180.44 1i81 h ASN 20 N 1.03 0.00 -0.45 0.19 2.35 -0.62 -2.66 115.58 115.42 1i81 h ASN 20 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1i81 h ASN 20 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1i81 h ASN 20 CO -0.08 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.50 1i81 n SER 21 N -3.12 3.24 -4.63 5.81 7.64 -0.47 -5.04 113.62 117.06 1i81 n SER 21 Ca -0.03 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.47 1i81 n SER 21 Cb 0.10 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.99 2.82 -2.30 -3.43 4.77 -1.01 -2.12 117.00 116.72 1i81 n LEU 22 Ca 0.16 1.10 -0.20 0.00 -0.03 0.00 0.00 56.01 57.04 1i81 n LEU 22 Cb 0.50 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1i81 n LEU 22 CO 0.11 -1.18 -0.25 0.59 -1.33 0.00 0.00 177.39 175.33 1i81 n ASN 23 N 0.63 -5.69 -4.22 -1.43 3.02 0.28 -4.97 115.26 102.88 1i81 n ASN 23 Ca 0.08 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 1i81 n ASN 23 Cb 0.37 -4.78 -0.10 0.00 -0.61 0.00 0.00 39.78 34.67 1i81 n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1i81 s SER 24 N -2.13 1.25 0.14 6.41 1.04 -0.90 -4.89 113.70 114.62 1i81 s SER 24 Ca 0.00 -1.11 -0.31 0.00 0.48 0.00 0.00 55.95 55.01 1i81 s SER 24 Cb 0.00 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.13 1i81 s SER 24 CO 0.00 -0.51 1.44 -2.84 0.98 0.00 0.00 173.24 172.30 1i81 s PRO 25 N -3.87 4.29 0.21 4.02 0.02 -1.26 -1.68 135.00 136.73 1i81 s PRO 25 Ca 0.20 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.40 1i81 s PRO 25 Cb 0.05 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1i81 s PRO 25 CO 0.01 -0.47 0.04 0.14 -0.33 0.00 0.00 177.00 176.39 1i81 s VAL 26 N 0.97 0.67 -0.12 3.83 -7.23 -0.18 -4.77 120.40 113.58 1i81 s VAL 26 Ca 0.65 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1i81 s VAL 26 Cb -0.39 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1i81 s VAL 26 CO 0.32 -0.27 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.06 1i81 s ILE 27 N -3.67 2.93 -0.22 -0.62 1.01 0.48 -2.53 121.20 118.57 1i81 s ILE 27 Ca 0.30 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1i81 s ILE 27 Cb 0.07 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1i81 s ILE 27 CO 0.08 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 174.79 1i81 s ILE 28 N 0.22 2.05 -0.26 2.92 -1.09 0.58 -1.30 121.20 124.31 1i81 s ILE 28 Ca -0.09 -1.31 -0.14 0.00 -2.23 0.00 0.00 60.65 56.87 1i81 s ILE 28 Cb -0.15 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1i81 s ILE 28 CO 0.05 0.19 0.34 -0.75 -1.23 0.00 0.00 174.94 173.54 1i81 s LYS 29 N 1.21 4.02 0.44 2.79 2.47 0.02 -0.97 119.74 129.72 1i81 s LYS 29 Ca -0.03 -0.01 0.08 0.00 -1.56 0.00 0.00 55.97 54.45 1i81 s LYS 29 Cb -0.17 -3.64 0.02 0.00 -1.46 0.00 0.00 37.83 32.57 1i81 s LYS 29 CO -0.08 -0.23 0.57 -0.51 0.16 0.00 0.00 175.35 175.26 1i81 s LEU 30 N 1.92 3.53 0.84 5.43 1.43 -0.12 -0.19 118.68 131.53 1i81 s LEU 30 Ca 0.14 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1i81 s LEU 30 Cb -0.16 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.75 1i81 s LEU 30 CO 0.10 -0.83 1.10 -0.54 0.23 0.00 0.00 176.35 176.41 1i81 s LYS 31 N -4.36 1.68 -1.02 1.70 1.02 0.80 -3.96 119.74 115.60 1i81 s LYS 31 Ca 0.55 1.14 -0.16 0.00 0.02 0.00 0.00 55.97 57.52 1i81 s LYS 31 Cb -0.08 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.41 1i81 s LYS 31 CO 0.33 -2.04 0.69 0.41 -0.92 0.00 0.00 175.35 173.81 1i81 n GLY 32 N -0.86 -1.08 2.07 -3.33 0.00 -1.26 -3.34 105.19 97.38 1i81 n GLY 32 Ca 0.09 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.41 -3.45 -4.92 1.61 9.92 -1.26 -4.96 116.55 111.08 1i81 n ASP 33 Ca -0.17 0.28 -0.27 0.00 -0.53 0.00 0.00 54.79 54.11 1i81 n ASP 33 Cb 0.61 -3.11 -0.04 0.00 -0.64 0.00 0.00 41.12 37.95 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1i81 s ARG 34 N -2.88 3.37 -0.05 -1.24 3.52 -1.21 -1.90 118.95 118.55 1i81 s ARG 34 Ca 0.00 -0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 54.85 1i81 s ARG 34 Cb 0.00 -2.94 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1i81 s ARG 34 CO 0.00 0.53 0.34 -2.00 -0.81 0.00 0.00 175.30 173.36 1i81 s GLU 35 N -3.08 0.60 0.02 5.12 2.12 0.68 -0.95 118.70 123.22 1i81 s GLU 35 Ca 0.34 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.77 1i81 s GLU 35 Cb -0.11 0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 1i81 s GLU 35 CO 0.28 -0.15 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.62 1i81 s PHE 36 N -0.84 1.48 -0.10 5.30 0.08 -0.14 0.50 117.98 124.26 1i81 s PHE 36 Ca -0.09 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 1i81 s PHE 36 Cb -0.04 -0.91 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 1i81 s PHE 36 CO 0.03 0.03 -0.02 1.03 -0.10 0.00 0.00 175.22 176.19 1i81 s ARG 37 N -0.84 0.90 0.10 0.44 0.52 -0.71 -0.31 118.95 119.05 1i81 s ARG 37 Ca 0.05 -0.06 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 1i81 s ARG 37 Cb -0.07 -1.27 0.06 0.00 0.52 0.00 0.00 34.95 34.18 1i81 s ARG 37 CO 0.01 -0.32 0.86 0.41 0.02 0.00 0.00 175.30 176.27 1i81 n GLY 38 N 5.07 0.62 3.64 -3.53 0.00 -1.05 -0.59 105.19 109.36 1i81 n GLY 38 Ca -0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.14 4.84 0.00 1.61 1.01 -0.68 -1.01 120.40 124.04 1i81 s VAL 39 Ca 0.19 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1i81 s VAL 39 Cb -0.02 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1i81 s VAL 39 CO 0.03 -0.07 1.52 -0.22 0.00 0.00 0.00 175.10 176.36 1i81 s LEU 40 N 2.81 4.33 -0.07 3.92 2.96 -0.67 -1.04 118.68 130.91 1i81 s LEU 40 Ca 0.35 2.23 0.06 0.00 -0.22 0.00 0.00 54.13 56.55 1i81 s LEU 40 Cb -0.15 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1i81 s LEU 40 CO 0.07 -0.81 0.03 0.29 -1.32 0.00 0.00 176.35 174.62 1i81 n LYS 41 N 5.83 2.65 -3.46 1.98 4.76 0.33 0.98 118.16 131.23 1i81 n LYS 41 Ca 0.15 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1i81 n LYS 41 Cb 0.43 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 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 -3.81 -0.50 -0.08 4.39 0.15 -1.19 -4.83 113.70 107.82 1i81 s SER 42 Ca -0.03 0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 1i81 s SER 42 Cb 0.02 0.52 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 1i81 s SER 42 CO 0.29 -0.82 0.94 0.72 1.20 0.00 0.00 173.24 175.58 1i81 s PHE 43 N -3.33 -0.35 0.20 3.44 -0.12 -1.26 -1.16 117.98 115.41 1i81 s PHE 43 Ca 0.02 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.31 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 -0.10 -0.44 0.02 -0.40 -0.05 0.00 0.00 175.22 174.25 1i81 n ASP 44 N 0.20 2.10 0.30 1.98 5.68 -0.87 -4.98 116.55 120.96 1i81 n ASP 44 Ca -0.09 -1.95 0.20 0.00 -0.50 0.00 0.00 54.79 52.45 1i81 n ASP 44 Cb 0.60 0.25 0.90 0.00 -1.14 0.00 0.00 41.12 41.72 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 -0.15 -2.12 -0.00 -2.02 -1.79 115.31 109.23 1i81 h LEU 45 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1i81 h LEU 45 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1i81 h LEU 45 CO 0.27 0.00 -0.17 1.41 -0.00 0.00 0.00 178.44 179.96 1i81 n HIS 46 N -3.09 0.00 -1.04 0.17 8.25 -1.26 -4.91 115.22 113.34 1i81 n HIS 46 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1i81 n HIS 46 Cb 0.21 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.16 -0.15 -2.27 -0.41 2.81 -0.67 -4.28 117.12 110.98 1i81 n MET 47 Ca 0.11 0.42 -0.38 0.00 -1.81 0.00 0.00 57.70 56.04 1i81 n MET 47 Cb 0.30 -3.88 -0.02 0.00 -0.71 0.00 0.00 33.22 28.91 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 -2.70 6.54 0.14 7.83 0.01 -1.26 -3.55 114.94 121.94 1i81 s ASN 48 Ca 0.00 2.38 -0.16 0.00 -0.71 0.00 0.00 52.86 54.37 1i81 s ASN 48 Cb 0.00 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1i81 s ASN 48 CO 0.00 -0.67 0.42 -1.48 -1.51 0.00 0.00 177.10 173.86 1i81 s LEU 49 N -2.43 0.35 -0.08 0.60 0.05 -0.52 -2.05 118.68 114.60 1i81 s LEU 49 Ca 0.56 -0.36 0.04 0.00 0.05 0.00 0.00 54.13 54.42 1i81 s LEU 49 Cb -0.32 1.88 -0.01 0.00 -2.05 0.00 0.00 46.19 45.69 1i81 s LEU 49 CO 0.40 -0.89 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.43 1i81 s VAL 50 N -3.82 2.56 0.11 1.48 1.01 -0.31 -0.40 120.40 121.03 1i81 s VAL 50 Ca 0.04 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1i81 s VAL 50 Cb 0.01 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1i81 s VAL 50 CO -0.10 0.56 -0.25 -0.76 0.00 0.00 0.00 175.10 174.55 1i81 s LEU 51 N -0.15 2.29 0.16 3.92 1.43 -0.27 -0.52 118.68 125.53 1i81 s LEU 51 Ca -0.03 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 1i81 s LEU 51 Cb -0.14 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1i81 s LEU 51 CO 0.04 0.16 -0.10 0.20 0.23 0.00 0.00 176.35 176.88 1i81 s ASN 52 N -1.86 4.30 -1.24 2.29 -0.87 -0.21 -1.23 114.94 116.12 1i81 s ASN 52 Ca 0.11 -0.51 -0.21 0.00 -1.57 0.00 0.00 52.86 50.68 1i81 s ASN 52 Cb -0.10 -0.76 0.01 0.00 -0.02 0.00 0.00 41.25 40.38 1i81 s ASN 52 CO 0.05 0.13 0.64 -0.67 -2.57 0.00 0.00 177.10 174.67 1i81 n ASP 53 N 0.25 -3.65 -4.85 -1.22 2.03 0.65 -1.68 116.55 108.09 1i81 n ASP 53 Ca -0.12 -1.14 -0.33 0.00 0.52 0.00 0.00 54.79 53.73 1i81 n ASP 53 Cb 0.54 -2.58 -0.06 0.00 -0.72 0.00 0.00 41.12 38.30 1i81 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i81 s ALA 54 N -3.63 3.78 -0.12 -1.67 0.00 -0.34 -4.47 121.76 115.30 1i81 s ALA 54 Ca 0.37 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1i81 s ALA 54 Cb -0.17 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1i81 s ALA 54 CO 0.92 0.74 -0.04 -1.21 0.00 0.00 0.00 175.76 176.16 1i81 s GLU 55 N -1.97 3.31 -0.16 0.00 2.02 0.24 0.33 118.70 122.47 1i81 s GLU 55 Ca 0.27 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 54.65 1i81 s GLU 55 Cb -0.12 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1i81 s GLU 55 CO 0.18 0.43 0.16 -2.00 0.02 0.00 0.00 175.26 174.05 1i81 s GLU 56 N -0.15 3.91 -0.02 1.61 2.12 0.11 -1.74 118.70 124.54 1i81 s GLU 56 Ca 0.03 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.29 1i81 s GLU 56 Cb -0.13 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 1i81 s GLU 56 CO 0.02 0.49 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.53 1i81 s LEU 57 N -0.20 2.03 -0.08 2.70 1.02 0.18 -0.15 118.68 124.18 1i81 s LEU 57 Ca 0.12 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1i81 s LEU 57 Cb -0.12 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.10 1i81 s LEU 57 CO 0.02 0.24 -0.11 -1.61 0.02 0.00 0.00 176.35 174.90 1i81 s GLU 58 N -0.42 1.61 -1.56 1.70 2.02 0.10 -0.23 118.70 121.92 1i81 s GLU 58 Ca 0.07 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 1i81 s GLU 58 Cb -0.08 -1.43 0.10 0.00 0.10 0.00 0.00 34.13 32.82 1i81 s GLU 58 CO -0.00 -0.06 0.95 -0.25 0.02 0.00 0.00 175.26 175.92 1i81 n ASP 59 N 4.13 -4.52 0.00 -0.19 10.43 -0.80 -1.26 116.55 124.35 1i81 n ASP 59 Ca -0.20 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.34 1i81 n ASP 59 Cb 0.51 -3.69 0.00 0.00 1.84 0.00 0.00 41.12 39.78 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 -1.65 1.37 3.47 0.44 0.00 -1.26 -5.03 105.19 102.54 1i81 n GLY 60 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.03 2.11 -0.01 1.61 2.02 -0.39 -5.08 118.70 118.93 1i81 s GLU 61 Ca 0.00 -0.96 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 1i81 s GLU 61 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1i81 s GLU 61 CO 0.00 0.55 1.20 0.08 0.02 0.00 0.00 175.26 177.10 1i81 s VAL 62 N -0.93 4.19 -0.21 2.63 1.01 -1.26 0.03 120.40 125.86 1i81 s VAL 62 Ca 0.15 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1i81 s VAL 62 Cb -0.11 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 1i81 s VAL 62 CO 0.05 0.04 -0.01 0.41 0.00 0.00 0.00 175.10 175.59 1i81 n THR 63 N 4.37 1.57 -3.74 3.92 -1.04 0.78 -4.93 114.28 115.21 1i81 n THR 63 Ca 0.10 -0.62 -0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1i81 n THR 63 Cb 0.46 -1.42 -0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1i81 n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i81 s ARG 64 N -2.53 0.73 -0.06 -2.82 1.70 -1.23 -5.02 118.95 109.73 1i81 s ARG 64 Ca -0.29 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 54.60 1i81 s ARG 64 Cb 0.08 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1i81 s ARG 64 CO 0.67 -0.34 -0.22 0.50 -1.08 0.00 0.00 175.30 174.83 1i81 s ARG 65 N -2.55 2.60 -0.11 3.89 3.52 -1.26 -0.72 118.95 124.33 1i81 s ARG 65 Ca 0.17 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1i81 s ARG 65 Cb 0.01 -2.24 0.01 0.00 -1.56 0.00 0.00 34.95 31.17 1i81 s ARG 65 CO -0.01 0.41 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.18 1i81 s LEU 66 N -0.23 2.00 0.24 -0.88 1.43 0.15 -4.98 118.68 116.41 1i81 s LEU 66 Ca -0.01 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1i81 s LEU 66 Cb -0.13 -1.31 0.41 0.00 0.03 0.00 0.00 46.19 45.19 1i81 s LEU 66 CO 0.03 0.11 1.75 1.23 0.23 0.00 0.00 176.35 179.70 1i81 h GLY 67 N 6.96 1.11 -5.02 -3.19 0.00 -1.94 -0.89 103.07 100.10 1i81 h GLY 67 Ca -0.25 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1i81 h GLY 67 CO 0.49 -0.04 -0.34 -1.59 0.00 0.00 0.00 176.54 175.07 1i81 s THR 68 N -6.04 0.02 -0.14 4.70 2.01 -1.26 -0.26 115.64 114.68 1i81 s THR 68 Ca -0.12 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 1i81 s THR 68 Cb 0.19 -0.49 0.05 0.00 0.01 0.00 0.00 72.50 72.26 1i81 s THR 68 CO 0.76 -0.11 0.34 0.54 -0.69 0.00 0.00 174.62 175.47 1i81 s VAL 69 N -0.40 -0.02 -0.29 3.82 0.11 -0.37 -4.99 120.40 118.27 1i81 s VAL 69 Ca -0.05 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1i81 s VAL 69 Cb -0.03 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1i81 s VAL 69 CO 0.02 0.03 0.15 -0.22 -3.33 0.00 0.00 175.10 171.75 1i81 s LEU 70 N 0.86 3.93 -0.19 2.54 2.96 -1.26 -1.12 118.68 126.40 1i81 s LEU 70 Ca -0.05 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1i81 s LEU 70 Cb -0.06 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1i81 s LEU 70 CO -0.06 -0.10 0.05 -0.63 -1.32 0.00 0.00 176.35 174.29 1i81 s ILE 71 N 1.68 4.67 -0.04 6.68 1.01 0.46 -4.96 121.20 130.70 1i81 s ILE 71 Ca 0.06 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1i81 s ILE 71 Cb -0.16 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1i81 s ILE 71 CO 0.08 0.45 1.24 -0.13 0.00 0.00 0.00 174.94 176.57 1i81 s ARG 72 N 0.48 4.34 0.43 2.79 0.52 -1.26 -1.43 118.95 124.82 1i81 s ARG 72 Ca 0.02 1.73 0.19 0.00 -0.52 0.00 0.00 55.73 57.15 1i81 s ARG 72 Cb -0.13 -3.55 1.13 0.00 0.52 0.00 0.00 34.95 32.92 1i81 s ARG 72 CO 0.01 -0.46 1.87 0.78 0.02 0.00 0.00 175.30 177.51 1i81 h GLY 73 N 8.16 0.75 1.86 -3.53 0.00 -1.74 -2.31 103.07 106.26 1i81 h GLY 73 Ca -0.35 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1i81 h GLY 73 CO 0.88 -0.00 0.07 -1.80 0.00 0.00 0.00 176.54 175.69 1i81 h ASP 74 N 0.35 0.00 0.25 0.19 3.58 -1.89 -0.67 116.42 118.24 1i81 h ASP 74 Ca 0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1i81 h ASP 74 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1i81 h ASP 74 CO -0.15 0.00 -0.36 0.59 -2.88 0.00 0.00 179.24 176.43 1i81 n ASN 75 N -3.00 1.02 -4.75 2.28 3.02 -0.87 -4.94 115.26 108.02 1i81 n ASN 75 Ca -0.03 -0.83 -0.40 0.00 -0.03 0.00 0.00 54.58 53.30 1i81 n ASN 75 Cb 0.13 0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.62 4.49 -0.23 2.41 1.01 -0.26 -0.14 121.20 125.86 1i81 s ILE 76 Ca 0.20 1.79 -0.16 0.00 0.00 0.00 0.00 60.65 62.49 1i81 s ILE 76 Cb 0.19 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 1i81 s ILE 76 CO 0.58 0.42 -0.35 0.52 0.00 0.00 0.00 174.94 176.11 1i81 n VAL 77 N 2.26 1.50 -3.73 2.92 0.31 0.73 -4.85 118.33 117.47 1i81 n VAL 77 Ca -0.03 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1i81 n VAL 77 Cb 0.49 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.70 -0.06 -0.03 3.52 -0.85 -1.10 -5.02 117.35 111.11 1i81 s TYR 78 Ca -0.34 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 55.96 1i81 s TYR 78 Cb 0.09 0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.68 1i81 s TYR 78 CO 0.45 -0.77 -0.08 0.42 -1.52 0.00 0.00 175.55 174.05 1i81 s ILE 79 N -3.86 0.74 -0.03 -3.49 1.01 -1.26 -0.80 121.20 113.52 1i81 s ILE 79 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1i81 s ILE 79 Cb 0.01 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1i81 s ILE 79 CO -0.07 0.24 -0.01 -0.55 0.00 0.00 0.00 174.94 174.55 1i81 s SER 80 N 0.29 0.54 0.00 3.58 0.15 -0.42 -4.99 113.70 112.85 1i81 s SER 80 Ca -0.05 -0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.66 1i81 s SER 80 Cb -0.09 -0.26 0.65 0.00 -1.71 0.00 0.00 66.02 64.60 1i81 s SER 80 CO 0.01 -0.07 1.09 -0.81 1.20 0.00 0.00 173.24 174.65