#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a70 s ALA 2 N 0.00 0.27 0.22 0.00 0.00 -1.26 -1.42 121.76 119.57 1a70 s ALA 2 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1a70 s ALA 2 Cb 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1a70 s ALA 2 CO 0.00 -0.31 0.13 0.71 0.00 0.00 0.00 175.76 176.30 1a70 s TYR 3 N -3.01 1.25 -0.25 0.00 2.02 0.13 -4.85 117.35 112.64 1a70 s TYR 3 Ca -0.02 -1.37 -0.16 0.00 -0.37 0.00 0.00 57.07 55.16 1a70 s TYR 3 Cb 0.01 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1a70 s TYR 3 CO -0.07 -0.61 0.42 0.21 -1.57 0.00 0.00 175.55 173.93 1a70 s LYS 4 N -4.10 4.06 -0.23 -0.62 2.20 -1.26 0.81 119.74 120.60 1a70 s LYS 4 Ca 0.39 0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 56.08 1a70 s LYS 4 Cb 0.07 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1a70 s LYS 4 CO 0.13 -0.26 0.08 0.08 -0.36 0.00 0.00 175.35 175.02 1a70 s VAL 5 N 2.00 4.58 -0.22 4.02 1.01 -0.46 -1.62 120.40 129.70 1a70 s VAL 5 Ca 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1a70 s VAL 5 Cb -0.16 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1a70 s VAL 5 CO 0.09 0.37 0.04 -0.89 0.00 0.00 0.00 175.10 174.72 1a70 s THR 6 N 1.16 4.22 -0.12 3.92 2.01 0.88 -2.30 115.64 125.42 1a70 s THR 6 Ca 0.05 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 1a70 s THR 6 Cb -0.14 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1a70 s THR 6 CO 0.04 0.38 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.54 1a70 s LEU 7 N 1.26 3.20 -0.60 4.42 1.43 -0.37 -1.54 118.68 126.47 1a70 s LEU 7 Ca 0.04 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 1a70 s LEU 7 Cb -0.15 -1.74 0.13 0.00 0.03 0.00 0.00 46.19 44.47 1a70 s LEU 7 CO 0.03 0.24 0.61 -0.69 0.23 0.00 0.00 176.35 176.77 1a70 s VAL 8 N -0.10 5.12 0.38 -1.59 1.01 -0.23 -1.73 120.40 123.27 1a70 s VAL 8 Ca 0.02 -1.46 0.08 0.00 0.00 0.00 0.00 61.98 60.61 1a70 s VAL 8 Cb -0.13 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1a70 s VAL 8 CO 0.03 -0.99 0.40 0.42 0.00 0.00 0.00 175.10 174.96 1a70 s THR 9 N 1.80 3.17 0.51 3.92 -4.23 -0.97 -1.78 115.64 118.06 1a70 s THR 9 Ca 0.08 -1.23 0.21 0.00 -1.18 0.00 0.00 61.69 59.56 1a70 s THR 9 Cb -0.25 -3.11 0.35 0.00 1.34 0.00 0.00 72.50 70.83 1a70 s THR 9 CO 0.02 -0.07 2.03 -0.65 -0.54 0.00 0.00 174.62 175.41 1a70 h PRO 10 N 0.99 0.08 -0.50 3.99 0.11 -1.96 -0.11 132.00 134.61 1a70 h PRO 10 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1a70 h PRO 10 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1a70 h PRO 10 CO 0.54 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 1a70 n THR 11 N -4.44 1.34 0.00 -1.15 -2.24 -1.26 -5.06 114.28 101.48 1a70 n THR 11 Ca 0.06 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1a70 n THR 11 Cb 0.43 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1a70 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a70 n GLY 12 N 0.79 4.58 3.77 3.38 0.00 -0.05 -5.10 105.19 112.56 1a70 n GLY 12 Ca 0.19 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1a70 n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a70 s ASN 13 N 0.00 7.24 -0.03 1.61 0.01 -1.26 -2.29 114.94 120.22 1a70 s ASN 13 Ca 0.00 1.98 -0.03 0.00 -0.71 0.00 0.00 52.86 54.10 1a70 s ASN 13 Cb 0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1a70 s ASN 13 CO 0.00 -0.14 0.09 0.68 -1.51 0.00 0.00 177.10 176.22 1a70 s VAL 14 N -1.47 0.01 0.27 1.60 -7.23 -0.70 -4.98 120.40 107.89 1a70 s VAL 14 Ca 0.49 -0.07 0.12 0.00 -1.81 0.00 0.00 61.98 60.71 1a70 s VAL 14 Cb -0.23 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 1a70 s VAL 14 CO 0.29 -0.04 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.23 1a70 s GLU 15 N -0.08 1.66 -0.17 4.82 2.02 -1.26 -1.23 118.70 124.45 1a70 s GLU 15 Ca -0.01 -1.73 -0.31 0.00 0.02 0.00 0.00 54.97 52.94 1a70 s GLU 15 Cb -0.01 -1.79 0.14 0.00 0.10 0.00 0.00 34.13 32.57 1a70 s GLU 15 CO 0.00 0.34 1.11 -0.59 0.02 0.00 0.00 175.26 176.15 1a70 s PHE 16 N -2.37 -0.23 0.04 1.61 -0.12 -0.97 -5.01 117.98 110.93 1a70 s PHE 16 Ca 0.28 0.30 -0.23 0.00 -0.05 0.00 0.00 56.93 57.23 1a70 s PHE 16 Cb -0.06 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 1a70 s PHE 16 CO 0.14 -0.27 0.71 -0.65 -0.05 0.00 0.00 175.22 175.10 1a70 s GLN 17 N -1.74 4.44 -0.09 1.99 -1.52 -1.26 -1.36 119.66 120.11 1a70 s GLN 17 Ca 0.04 0.96 0.00 0.00 -1.95 0.00 0.00 55.36 54.42 1a70 s GLN 17 Cb -0.01 -3.34 0.02 0.00 -0.22 0.00 0.00 33.01 29.47 1a70 s GLN 17 CO -0.04 0.36 -0.07 0.00 -0.25 0.00 0.00 175.29 175.29 1a70 s PRO 19 N 1.48 3.96 0.00 0.00 0.02 -1.26 0.19 135.00 139.39 1a70 s PRO 19 Ca -0.00 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.29 1a70 s PRO 19 Cb -0.13 -2.77 0.35 0.00 0.02 0.00 0.00 34.50 31.97 1a70 s PRO 19 CO -0.05 -0.52 1.14 -0.40 -0.33 0.00 0.00 177.00 176.85 1a70 n ASP 20 N 0.13 0.00 -1.04 2.53 5.75 -0.50 -1.61 116.55 121.80 1a70 n ASP 20 Ca 0.04 0.29 0.04 0.00 -0.01 0.00 0.00 54.79 55.14 1a70 n ASP 20 Cb 0.43 -0.36 0.24 0.00 -1.03 0.00 0.00 41.12 40.40 1a70 n ASP 20 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1a70 n ASP 21 N -1.36 3.52 -3.95 -1.12 5.75 -1.26 -4.72 116.55 113.41 1a70 n ASP 21 Ca 0.03 -3.26 -0.18 0.00 -0.01 0.00 0.00 54.79 51.38 1a70 n ASP 21 Cb 0.07 -0.59 -0.15 0.00 -1.03 0.00 0.00 41.12 39.42 1a70 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a70 s VAL 22 N -2.97 0.51 0.54 2.12 1.01 -0.63 -5.12 120.40 115.85 1a70 s VAL 22 Ca 0.44 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1a70 s VAL 22 Cb 0.37 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 1a70 s VAL 22 CO 0.07 0.17 1.24 -0.31 0.00 0.00 0.00 175.10 176.26 1a70 s TYR 23 N 0.20 2.51 0.19 5.22 2.02 -1.26 -4.64 117.35 121.59 1a70 s TYR 23 Ca -0.02 1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 57.97 1a70 s TYR 23 Cb -0.07 -3.54 0.14 0.00 -0.40 0.00 0.00 41.96 38.10 1a70 s TYR 23 CO -0.00 -2.19 1.61 0.82 -1.57 0.00 0.00 175.55 174.22 1a70 h ILE 24 N 1.34 0.30 -0.11 2.71 2.04 -1.46 -1.08 117.51 121.25 1a70 h ILE 24 Ca -0.50 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1a70 h ILE 24 Cb 1.28 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1a70 h ILE 24 CO 0.57 0.00 -0.05 0.25 0.00 0.00 0.00 178.15 178.92 1a70 h LEU 25 N -0.12 -0.17 -0.48 1.44 5.85 -1.76 -0.43 115.31 119.64 1a70 h LEU 25 Ca 0.24 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1a70 h LEU 25 Cb 0.49 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1a70 h LEU 25 CO -0.59 -0.07 0.23 0.44 -0.34 0.00 0.00 178.44 178.11 1a70 h ASP 26 N -0.04 0.33 -0.39 1.25 5.19 -1.72 -0.50 116.42 120.54 1a70 h ASP 26 Ca 0.06 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1a70 h ASP 26 Cb 0.13 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1a70 h ASP 26 CO -0.14 0.23 0.19 0.00 -3.12 0.00 0.00 179.24 176.41 1a70 h ALA 27 N 1.26 0.48 -0.79 3.45 0.00 -0.98 -1.01 119.26 121.67 1a70 h ALA 27 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1a70 h ALA 27 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1a70 h ALA 27 CO -0.15 -0.17 0.51 0.00 0.00 0.00 0.00 179.25 179.44 1a70 h ALA 28 N 1.20 1.02 -0.24 0.00 0.00 -0.76 -2.61 119.26 117.87 1a70 h ALA 28 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1a70 h ALA 28 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1a70 h ALA 28 CO -0.11 0.36 0.05 0.93 0.00 0.00 0.00 179.25 180.48 1a70 h GLU 29 N 1.02 0.14 -0.85 0.00 5.08 -0.44 -1.20 114.58 118.33 1a70 h GLU 29 Ca 0.30 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.86 1a70 h GLU 29 Cb -0.05 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1a70 h GLU 29 CO -0.09 0.09 0.58 0.93 -1.00 0.00 0.00 179.01 179.52 1a70 h GLU 30 N 0.15 0.28 -0.00 2.33 5.08 -0.99 0.36 114.58 121.78 1a70 h GLU 30 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1a70 h GLU 30 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1a70 h GLU 30 CO -0.14 0.18 -0.08 0.39 -1.00 0.00 0.00 179.01 178.37 1a70 n GLU 31 N -4.45 0.89 -0.63 2.33 -0.58 -0.86 -4.93 120.64 112.41 1a70 n GLU 31 Ca 0.18 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1a70 n GLU 31 Cb 0.72 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1a70 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a70 n GLY 32 N 1.22 0.68 3.78 0.62 0.00 0.13 -5.07 105.19 106.54 1a70 n GLY 32 Ca 0.17 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1a70 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a70 s ILE 33 N -2.00 5.09 -0.38 -0.61 1.01 -0.51 -5.01 121.20 118.79 1a70 s ILE 33 Ca 0.00 0.87 -0.16 0.00 0.00 0.00 0.00 60.65 61.37 1a70 s ILE 33 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1a70 s ILE 33 CO 0.00 0.47 0.36 -0.62 0.00 0.00 0.00 174.94 175.15 1a70 s ASP 34 N -0.33 6.16 0.14 3.58 -1.08 -1.26 -4.15 116.67 119.72 1a70 s ASP 34 Ca 0.24 -0.52 0.09 0.00 -0.52 0.00 0.00 52.55 51.83 1a70 s ASP 34 Cb -0.16 -2.19 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1a70 s ASP 34 CO 0.12 -0.43 -0.14 -0.76 0.52 0.00 0.00 175.17 174.48 1a70 s LEU 35 N 1.96 2.85 0.52 -1.34 1.43 -1.26 -5.11 118.68 117.73 1a70 s LEU 35 Ca 0.10 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 1a70 s LEU 35 Cb -0.17 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 1a70 s LEU 35 CO 0.12 0.15 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 1a70 s PRO 36 N -2.41 3.56 0.19 1.29 0.04 -1.26 -5.03 135.00 131.38 1a70 s PRO 36 Ca 0.21 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 1a70 s PRO 36 Cb -0.10 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1a70 s PRO 36 CO 0.13 -0.65 0.82 1.52 0.04 0.00 0.00 177.00 178.86 1a70 s TYR 37 N -1.90 -0.21 0.00 0.56 1.13 -1.26 -4.15 117.35 111.52 1a70 s TYR 37 Ca 0.70 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 1a70 s TYR 37 Cb -0.20 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.31 1a70 s TYR 37 CO 0.24 -0.96 0.00 -1.13 -2.51 0.00 0.00 175.55 171.19 1a70 n SER 38 N -0.44 0.00 0.11 -0.18 3.41 -1.26 -4.96 113.62 110.30 1a70 n SER 38 Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1a70 n SER 38 Cb 0.61 0.01 0.13 0.00 -0.26 0.00 0.00 64.21 64.70 1a70 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a70 n ARG 40 N -3.83 -1.62 -0.15 0.00 1.74 -1.26 -4.83 116.66 106.71 1a70 n ARG 40 Ca -0.02 0.90 0.07 0.00 -0.77 0.00 0.00 57.85 58.03 1a70 n ARG 40 Cb 0.63 -5.30 0.09 0.00 -1.02 0.00 0.00 32.46 26.87 1a70 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a70 n ALA 41 N 1.22 2.14 -1.94 7.54 0.00 -1.26 -4.95 120.51 123.26 1a70 n ALA 41 Ca -0.12 -2.05 -0.14 0.00 0.00 0.00 0.00 53.44 51.13 1a70 n ALA 41 Cb 0.59 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1a70 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a70 n GLY 42 N -1.00 0.41 0.06 0.00 0.00 -1.26 -4.79 105.19 98.60 1a70 n GLY 42 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1a70 n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a70 n SER 43 N -0.44 1.65 -3.63 1.61 3.41 -1.26 -0.73 113.62 114.23 1a70 n SER 43 Ca -0.15 -2.14 -0.22 0.00 -0.26 0.00 0.00 58.87 56.10 1a70 n SER 43 Cb 0.56 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1a70 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a70 n SER 45 N -1.49 1.75 -0.21 0.00 3.41 -1.26 -4.67 113.62 111.15 1a70 n SER 45 Ca 0.02 -1.34 0.01 0.00 -0.26 0.00 0.00 58.87 57.30 1a70 n SER 45 Cb 0.63 0.36 0.12 0.00 -0.26 0.00 0.00 64.21 65.06 1a70 n SER 45 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a70 h SER 46 N 2.12 0.25 -0.41 4.04 0.02 -1.94 -2.44 113.55 115.18 1a70 h SER 46 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1a70 h SER 46 Cb 0.68 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1a70 h SER 46 CO 0.00 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1a70 s ALA 48 N -2.04 3.18 0.31 0.00 0.00 -0.92 -2.65 121.76 119.63 1a70 s ALA 48 Ca 0.37 1.47 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1a70 s ALA 48 Cb 0.26 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1a70 s ALA 48 CO 0.13 -1.26 0.24 0.20 0.00 0.00 0.00 175.76 175.07 1a70 s GLY 49 N -0.54 2.16 -0.14 0.00 0.00 -0.10 -2.11 107.32 106.59 1a70 s GLY 49 Ca 0.63 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1a70 s GLY 49 CO 0.56 -1.47 -0.14 0.54 0.00 0.00 0.00 173.10 172.58 1a70 s LYS 50 N -3.60 2.28 -0.18 2.90 -0.14 -0.36 -0.95 119.74 119.69 1a70 s LYS 50 Ca 0.40 -0.56 -0.29 0.00 -1.36 0.00 0.00 55.97 54.16 1a70 s LYS 50 Cb 0.03 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 1a70 s LYS 50 CO 0.24 -0.19 1.17 -1.17 -0.76 0.00 0.00 175.35 174.64 1a70 s LEU 51 N 1.35 4.16 -0.18 3.17 2.96 -0.25 -0.60 118.68 129.30 1a70 s LEU 51 Ca 0.02 1.59 -0.12 0.00 -0.22 0.00 0.00 54.13 55.40 1a70 s LEU 51 Cb -0.13 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.80 1a70 s LEU 51 CO -0.08 -0.70 0.18 0.29 -1.32 0.00 0.00 176.35 174.72 1a70 n LYS 52 N 6.32 0.66 -3.79 1.98 4.76 0.11 -4.91 118.16 123.29 1a70 n LYS 52 Ca 0.13 0.36 -0.13 0.00 -2.87 0.00 0.00 58.31 55.80 1a70 n LYS 52 Cb 0.46 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 31.84 1a70 n LYS 52 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1a70 s THR 53 N -2.48 -0.01 0.00 -0.18 2.01 -1.13 -4.98 115.64 108.87 1a70 s THR 53 Ca -0.28 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1a70 s THR 53 Cb 0.07 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1a70 s THR 53 CO 0.66 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 1a70 n GLY 54 N 3.16 -1.02 3.20 4.40 0.00 -1.26 -1.32 105.19 112.34 1a70 n GLY 54 Ca -0.15 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.49 1a70 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a70 s SER 55 N -2.81 1.83 0.08 1.61 0.01 -1.26 -5.03 113.70 108.13 1a70 s SER 55 Ca 0.00 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1a70 s SER 55 Cb 0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1a70 s SER 55 CO 0.00 -0.08 -0.05 -0.76 0.41 0.00 0.00 173.24 172.76 1a70 s LEU 56 N -1.91 2.48 -0.29 2.44 1.43 -1.26 -1.76 118.68 119.81 1a70 s LEU 56 Ca 0.01 -0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1a70 s LEU 56 Cb -0.09 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.16 1a70 s LEU 56 CO 0.03 -0.49 0.04 0.21 0.23 0.00 0.00 176.35 176.37 1a70 s ASN 57 N -2.89 4.93 -0.19 2.29 3.84 0.12 -4.84 114.94 118.20 1a70 s ASN 57 Ca 0.08 -0.88 0.16 0.00 0.21 0.00 0.00 52.86 52.44 1a70 s ASN 57 Cb 0.05 -1.81 0.48 0.00 -0.55 0.00 0.00 41.25 39.42 1a70 s ASN 57 CO -0.06 -0.20 1.37 0.00 -2.79 0.00 0.00 177.10 175.42 1a70 n GLN 58 N 4.78 2.43 -0.30 0.43 6.02 -1.26 -1.22 117.38 128.26 1a70 n GLN 58 Ca -0.15 -2.85 0.12 0.00 -0.01 0.00 0.00 57.00 54.12 1a70 n GLN 58 Cb 0.47 -1.77 0.36 0.00 1.02 0.00 0.00 30.24 30.31 1a70 n GLN 58 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1a70 h ASP 59 N 1.32 0.70 0.43 1.08 3.32 -1.94 -0.69 116.42 120.65 1a70 h ASP 59 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1a70 h ASP 59 Cb 1.39 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1a70 h ASP 59 CO 0.20 0.33 0.00 0.47 -1.72 0.00 0.00 179.24 178.52 1a70 n ASP 60 N -4.61 0.00 -4.89 6.45 8.00 -1.26 -4.84 116.55 115.41 1a70 n ASP 60 Ca 0.19 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 1a70 n ASP 60 Cb 0.50 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1a70 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a70 s GLN 61 N -2.61 3.70 0.00 -1.24 1.03 -0.27 -4.73 119.66 115.55 1a70 s GLN 61 Ca 0.19 0.25 0.00 0.00 0.04 0.00 0.00 55.36 55.84 1a70 s GLN 61 Cb 0.14 -2.50 0.00 0.00 0.03 0.00 0.00 33.01 30.68 1a70 s GLN 61 CO 0.33 0.07 0.29 -1.13 -2.54 0.00 0.00 175.29 172.31 1a70 n SER 62 N -1.17 0.48 -0.03 12.60 3.41 0.09 -4.88 113.62 124.10 1a70 n SER 62 Ca 0.00 -1.07 -0.22 0.00 -0.26 0.00 0.00 58.87 57.33 1a70 n SER 62 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1a70 n SER 62 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1a70 h PHE 63 N 0.00 0.31 -3.98 7.33 3.57 -1.77 -3.48 116.94 118.92 1a70 h PHE 63 Ca 0.00 -0.22 -0.47 0.00 3.53 0.00 0.00 57.97 60.80 1a70 h PHE 63 Cb 0.39 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.13 1a70 h PHE 63 CO 0.00 1.64 0.39 -0.51 -2.23 0.00 0.00 178.31 177.60 1a70 s LEU 64 N -7.43 4.10 0.63 0.59 1.43 -1.26 -5.06 118.68 111.67 1a70 s LEU 64 Ca -0.24 1.95 -0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1a70 s LEU 64 Cb 0.06 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 42.02 1a70 s LEU 64 CO 0.71 -0.46 0.97 1.51 0.23 0.00 0.00 176.35 179.30 1a70 s ASP 65 N -1.71 5.61 0.40 2.29 1.47 -1.26 -4.90 116.67 118.57 1a70 s ASP 65 Ca 0.59 0.91 0.14 0.00 1.18 0.00 0.00 52.55 55.37 1a70 s ASP 65 Cb -0.19 -1.85 0.98 0.00 -0.34 0.00 0.00 42.92 41.52 1a70 s ASP 65 CO 0.24 -1.13 1.88 0.44 0.68 0.00 0.00 175.17 177.28 1a70 h ASP 66 N -0.33 0.48 -0.34 2.11 3.32 -1.99 -1.41 116.42 118.26 1a70 h ASP 66 Ca -0.45 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1a70 h ASP 66 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1a70 h ASP 66 CO 0.62 0.23 0.06 0.44 -1.72 0.00 0.00 179.24 178.87 1a70 h ASP 67 N 0.50 0.54 -0.66 6.45 5.19 -1.98 -0.19 116.42 126.27 1a70 h ASP 67 Ca 0.43 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 1a70 h ASP 67 Cb 0.91 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.25 1a70 h ASP 67 CO -0.17 0.66 0.29 1.56 -3.12 0.00 0.00 179.24 178.46 1a70 h GLN 68 N 0.40 0.96 -0.37 3.56 4.20 -1.66 0.12 115.11 122.33 1a70 h GLN 68 Ca 0.10 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a70 h GLN 68 Cb 0.35 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1a70 h GLN 68 CO 0.01 0.79 0.24 0.82 -0.67 0.00 0.00 178.83 180.02 1a70 h ILE 69 N 0.92 1.08 -0.89 2.54 1.08 -1.14 -1.34 117.51 119.76 1a70 h ILE 69 Ca 0.22 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.59 1a70 h ILE 69 Cb 0.17 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.41 1a70 h ILE 69 CO -0.02 0.09 0.58 0.44 -0.69 0.00 0.00 178.15 178.55 1a70 h ASP 70 N 0.49 0.89 0.61 1.72 5.19 -0.63 -0.24 116.42 124.45 1a70 h ASP 70 Ca 0.14 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1a70 h ASP 70 Cb -0.05 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 1a70 h ASP 70 CO -0.04 0.57 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.30 1a70 h GLU 71 N 1.00 0.00 0.00 3.56 5.08 0.12 -3.46 114.58 120.89 1a70 h GLU 71 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1a70 h GLU 71 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1a70 h GLU 71 CO -0.15 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 1a70 n GLY 72 N -0.41 1.21 3.77 -3.84 0.00 -0.10 -4.97 105.19 100.85 1a70 n GLY 72 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1a70 n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a70 s TRP 73 N -2.00 3.19 0.01 1.61 0.52 -0.83 -1.09 118.94 120.35 1a70 s TRP 73 Ca 0.00 1.60 0.01 0.00 0.02 0.00 0.00 56.10 57.73 1a70 s TRP 73 Cb 0.00 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 1a70 s TRP 73 CO 0.00 -1.00 -0.03 0.08 0.02 0.00 0.00 176.95 176.02 1a70 s VAL 74 N -1.47 0.20 -0.42 4.03 1.01 -0.12 -4.56 120.40 119.06 1a70 s VAL 74 Ca 0.56 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1a70 s VAL 74 Cb -0.28 -0.25 0.07 0.00 0.00 0.00 0.00 36.38 35.93 1a70 s VAL 74 CO 0.35 -0.20 0.27 -0.76 0.00 0.00 0.00 175.10 174.76 1a70 s LEU 75 N -0.74 5.16 0.61 3.92 1.43 -1.26 -0.92 118.68 126.87 1a70 s LEU 75 Ca -0.06 -1.40 0.38 0.00 -1.03 0.00 0.00 54.13 52.01 1a70 s LEU 75 Cb -0.05 -2.02 1.94 0.00 0.03 0.00 0.00 46.19 46.08 1a70 s LEU 75 CO -0.00 -0.53 2.21 0.71 0.23 0.00 0.00 176.35 178.97 1a70 h THR 76 N 6.00 0.15 0.00 5.49 1.35 -1.87 -1.67 112.91 122.36 1a70 h THR 76 Ca -0.24 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1a70 h THR 76 Cb 1.09 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1a70 h THR 76 CO 0.76 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 1a70 n ALA 78 N -1.46 2.27 -3.05 0.00 0.00 -0.64 -4.83 120.51 112.80 1a70 n ALA 78 Ca 0.07 -1.93 -0.33 0.00 0.00 0.00 0.00 53.44 51.26 1a70 n ALA 78 Cb 0.29 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 19.12 1a70 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a70 s ALA 79 N -1.35 2.50 -0.11 0.00 0.00 -1.13 -4.33 121.76 117.33 1a70 s ALA 79 Ca 0.18 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1a70 s ALA 79 Cb 0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1a70 s ALA 79 CO -0.01 0.29 0.06 0.71 0.00 0.00 0.00 175.76 176.81 1a70 s TYR 80 N 0.24 3.33 0.22 0.00 2.02 -0.36 -1.77 117.35 121.03 1a70 s TYR 80 Ca -0.11 0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1a70 s TYR 80 Cb -0.16 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.43 1a70 s TYR 80 CO 0.06 0.52 1.02 -1.25 -1.57 0.00 0.00 175.55 174.33 1a70 s PRO 81 N -0.75 4.72 0.00 -1.71 0.04 -1.26 0.10 135.00 136.14 1a70 s PRO 81 Ca 0.12 1.61 0.13 0.00 0.04 0.00 0.00 61.00 62.91 1a70 s PRO 81 Cb -0.12 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.23 1a70 s PRO 81 CO 0.03 0.30 0.88 1.33 0.04 0.00 0.00 177.00 179.57 1a70 n VAL 82 N 1.81 0.00 -3.79 -0.36 0.24 -0.72 -4.70 118.33 110.81 1a70 n VAL 82 Ca -0.00 -0.47 -0.06 0.00 -2.04 0.00 0.00 64.34 61.77 1a70 n VAL 82 Cb 0.47 1.25 0.02 0.00 -1.47 0.00 0.00 33.84 34.11 1a70 n VAL 82 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1a70 n SER 83 N 0.54 -1.91 -4.76 -1.34 3.41 -1.25 -4.96 113.62 103.36 1a70 n SER 83 Ca 0.07 -2.21 -0.38 0.00 -0.26 0.00 0.00 58.87 56.09 1a70 n SER 83 Cb 0.32 3.16 0.02 0.00 -0.26 0.00 0.00 64.21 67.45 1a70 n SER 83 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a70 s ASP 84 N -3.05 5.66 0.02 4.04 1.01 -1.26 -4.71 116.67 118.38 1a70 s ASP 84 Ca 0.17 2.55 -0.10 0.00 0.71 0.00 0.00 52.55 55.88 1a70 s ASP 84 Cb -0.04 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.28 1a70 s ASP 84 CO 0.09 -1.28 0.20 0.68 0.21 0.00 0.00 175.17 175.06 1a70 s VAL 85 N -1.42 0.09 -0.15 -1.27 -7.23 -0.64 -4.30 120.40 105.47 1a70 s VAL 85 Ca 0.68 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 60.09 1a70 s VAL 85 Cb -0.35 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1a70 s VAL 85 CO 0.41 -0.42 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.77 1a70 s THR 86 N -1.99 2.98 -0.04 5.32 2.01 -0.44 -0.08 115.64 123.40 1a70 s THR 86 Ca -0.09 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1a70 s THR 86 Cb -0.04 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1a70 s THR 86 CO -0.01 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 1a70 s ILE 87 N 0.67 0.72 -0.19 1.82 1.01 -0.59 -0.72 121.20 123.92 1a70 s ILE 87 Ca -0.06 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 1a70 s ILE 87 Cb -0.15 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1a70 s ILE 87 CO 0.02 0.25 0.69 -1.61 0.00 0.00 0.00 174.94 174.29 1a70 s GLU 88 N 0.61 4.23 0.65 2.79 2.02 0.24 -1.07 118.70 128.17 1a70 s GLU 88 Ca -0.10 0.73 0.05 0.00 0.02 0.00 0.00 54.97 55.67 1a70 s GLU 88 Cb -0.13 -3.58 0.11 0.00 0.10 0.00 0.00 34.13 30.63 1a70 s GLU 88 CO 0.01 -0.27 0.89 0.95 0.02 0.00 0.00 175.26 176.86 1a70 s THR 89 N 1.99 2.13 -1.13 3.63 -4.23 -0.74 -1.22 115.64 116.06 1a70 s THR 89 Ca 0.31 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 1a70 s THR 89 Cb -0.16 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1a70 s THR 89 CO 0.11 0.00 0.81 1.41 -0.54 0.00 0.00 174.62 176.41 1a70 n HIS 90 N -2.53 -2.04 -0.01 3.99 8.25 -1.24 -4.75 115.22 116.90 1a70 n HIS 90 Ca 0.16 0.58 0.01 0.00 -0.26 0.00 0.00 57.72 58.20 1a70 n HIS 90 Cb 0.61 -3.68 0.02 0.00 1.12 0.00 0.00 29.99 28.06 1a70 n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a70 n LYS 91 N -3.97 2.31 -0.33 -0.41 4.76 -0.90 -4.76 118.16 114.86 1a70 n LYS 91 Ca -0.11 -1.40 0.13 0.00 -2.87 0.00 0.00 58.31 54.06 1a70 n LYS 91 Cb 0.61 -1.04 0.32 0.00 -1.84 0.00 0.00 35.03 33.08 1a70 n LYS 91 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1a70 h LYS 92 N 0.28 0.58 0.00 1.97 3.64 -1.78 0.48 116.57 121.74 1a70 h LYS 92 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1a70 h LYS 92 Cb 0.45 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1a70 h LYS 92 CO 0.00 0.39 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 1a70 n GLU 93 N -4.88 0.31 0.00 1.90 4.71 -1.26 -3.00 120.64 118.41 1a70 n GLU 93 Ca 0.23 0.06 0.07 0.00 -0.01 0.00 0.00 57.16 57.51 1a70 n GLU 93 Cb 0.61 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.50 1a70 n GLU 93 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1a70 n GLU 94 N -1.31 2.16 -2.03 3.49 1.02 0.15 -5.00 120.64 119.11 1a70 n GLU 94 Ca 0.11 -0.36 -0.41 0.00 -0.02 0.00 0.00 57.16 56.48 1a70 n GLU 94 Cb 0.20 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1a70 n GLU 94 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1a70 s LEU 95 N -2.29 4.40 0.17 -4.62 2.96 -1.15 -5.04 118.68 113.11 1a70 s LEU 95 Ca 0.08 2.75 -0.07 0.00 -0.22 0.00 0.00 54.13 56.68 1a70 s LEU 95 Cb 0.11 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1a70 s LEU 95 CO 0.46 -0.63 0.24 0.42 -1.32 0.00 0.00 176.35 175.52 1a70 s THR 96 N -0.88 0.06 -2.18 3.68 -4.23 -1.26 -5.11 115.64 105.71 1a70 s THR 96 Ca 0.52 -1.56 0.31 0.00 -1.18 0.00 0.00 61.69 59.77 1a70 s THR 96 Cb -0.41 -2.00 0.78 0.00 1.34 0.00 0.00 72.50 72.20 1a70 s THR 96 CO 0.53 -0.26 2.05 0.00 -0.54 0.00 0.00 174.62 176.40