#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz8 h PRO 11 N 0.00 0.00 -4.42 0.00 0.13 -1.86 -3.44 132.00 122.41 1tz8 h PRO 11 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1tz8 h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 1tz8 h PRO 11 CO 0.00 0.49 -0.82 -1.17 -0.23 0.00 0.00 178.00 176.28 1tz8 s LEU 12 N -6.65 1.41 -0.06 1.56 2.96 -1.26 0.24 118.68 116.88 1tz8 s LEU 12 Ca 0.03 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1tz8 s LEU 12 Cb 0.09 -0.97 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1tz8 s LEU 12 CO 0.73 -0.08 -0.14 -0.32 -1.32 0.00 0.00 176.35 175.21 1tz8 s MET 13 N 1.55 1.87 -0.12 1.98 -2.45 0.57 -4.55 119.30 118.15 1tz8 s MET 13 Ca 0.04 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.99 1tz8 s MET 13 Cb -0.13 -1.53 -0.01 0.00 1.25 0.00 0.00 34.83 34.41 1tz8 s MET 13 CO -0.08 0.09 -0.17 0.08 1.05 0.00 0.00 175.02 175.99 1tz8 s VAL 14 N 0.50 2.74 -0.07 10.11 1.01 -0.52 0.19 120.40 134.35 1tz8 s VAL 14 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1tz8 s VAL 14 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1tz8 s VAL 14 CO 0.04 0.54 -0.09 -0.75 0.00 0.00 0.00 175.10 174.84 1tz8 s LYS 15 N 0.28 1.46 -0.12 2.72 2.20 -0.17 -0.65 119.74 125.48 1tz8 s LYS 15 Ca -0.12 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1tz8 s LYS 15 Cb -0.16 -1.33 0.01 0.00 -1.51 0.00 0.00 37.83 34.84 1tz8 s LYS 15 CO 0.06 -0.07 -0.19 0.08 -0.36 0.00 0.00 175.35 174.87 1tz8 s VAL 16 N 0.98 1.79 0.14 4.02 1.01 0.17 -0.60 120.40 127.93 1tz8 s VAL 16 Ca -0.09 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1tz8 s VAL 16 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1tz8 s VAL 16 CO 0.00 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 1tz8 s LEU 17 N 0.78 2.51 -0.30 3.92 1.43 -0.12 -1.04 118.68 125.86 1tz8 s LEU 17 Ca -0.10 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1tz8 s LEU 17 Cb -0.16 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1tz8 s LEU 17 CO 0.01 0.16 0.09 -0.62 0.23 0.00 0.00 176.35 176.21 1tz8 s ASP 18 N -2.28 5.17 0.02 2.29 -1.08 0.27 -0.73 116.67 120.34 1tz8 s ASP 18 Ca 0.17 -0.76 0.28 0.00 -0.52 0.00 0.00 52.55 51.73 1tz8 s ASP 18 Cb -0.10 -1.88 1.13 0.00 -1.46 0.00 0.00 42.92 40.61 1tz8 s ASP 18 CO 0.09 -0.21 1.87 0.00 0.52 0.00 0.00 175.17 177.44 1tz8 n ALA 19 N 4.86 2.42 0.05 3.66 0.00 -0.31 -0.96 120.51 130.23 1tz8 n ALA 19 Ca -0.14 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1tz8 n ALA 19 Cb 0.48 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 1tz8 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tz8 h VAL 20 N 0.00 1.32 0.00 0.00 2.07 -1.94 -3.38 116.25 114.32 1tz8 h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1tz8 h VAL 20 Cb 0.53 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1tz8 h VAL 20 CO 0.00 0.73 -1.36 -1.14 0.02 0.00 0.00 177.57 175.83 1tz8 n ARG 21 N -3.99 0.65 -3.06 1.57 0.63 -1.24 -5.02 116.66 106.20 1tz8 n ARG 21 Ca -0.18 -0.08 -0.13 0.00 -0.92 0.00 0.00 57.85 56.54 1tz8 n ARG 21 Cb 0.90 -1.43 0.06 0.00 0.45 0.00 0.00 32.46 32.43 1tz8 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tz8 n GLY 22 N 1.42 -0.08 3.19 5.14 0.00 -0.13 -5.03 105.19 109.70 1tz8 n GLY 22 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1tz8 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tz8 s SER 23 N -3.65 0.52 0.57 1.61 0.01 -1.08 -5.00 113.70 106.68 1tz8 s SER 23 Ca 0.15 -1.27 -0.21 0.00 1.31 0.00 0.00 55.95 55.93 1tz8 s SER 23 Cb -0.06 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1tz8 s SER 23 CO 0.49 -0.73 1.34 -2.16 0.41 0.00 0.00 173.24 172.58 1tz8 s PRO 24 N -4.05 3.00 -0.55 12.44 0.04 -1.26 -0.56 135.00 144.05 1tz8 s PRO 24 Ca 0.29 2.18 -0.21 0.00 0.04 0.00 0.00 61.00 63.30 1tz8 s PRO 24 Cb 0.07 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1tz8 s PRO 24 CO 0.06 -1.28 0.77 0.00 0.04 0.00 0.00 177.00 176.58 1tz8 s ALA 25 N -1.34 3.29 0.19 8.56 0.00 -0.21 -4.59 121.76 127.66 1tz8 s ALA 25 Ca 0.74 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1tz8 s ALA 25 Cb -0.39 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 1tz8 s ALA 25 CO 0.45 -2.26 0.53 0.42 0.00 0.00 0.00 175.76 174.90 1tz8 s ILE 26 N 3.20 4.93 -1.52 0.00 1.01 -1.26 -4.27 121.20 123.28 1tz8 s ILE 26 Ca 0.20 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 1tz8 s ILE 26 Cb -0.18 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1tz8 s ILE 26 CO 0.13 0.06 0.60 -3.20 0.00 0.00 0.00 174.94 172.53 1tz8 n ASN 27 N 0.25 -5.82 -4.72 3.58 5.15 -0.64 -4.91 115.26 108.16 1tz8 n ASN 27 Ca -0.02 -0.30 -0.40 0.00 -0.60 0.00 0.00 54.58 53.26 1tz8 n ASN 27 Cb 0.52 -4.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.02 1tz8 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tz8 s VAL 28 N -3.15 5.05 0.02 3.44 1.01 -1.26 -4.71 120.40 120.80 1tz8 s VAL 28 Ca 0.32 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1tz8 s VAL 28 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1tz8 s VAL 28 CO 0.39 0.26 1.15 0.00 0.00 0.00 0.00 175.10 176.90 1tz8 s ALA 29 N 0.78 3.36 -0.11 5.51 0.00 -1.26 -0.96 121.76 129.08 1tz8 s ALA 29 Ca 0.37 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1tz8 s ALA 29 Cb -0.18 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1tz8 s ALA 29 CO 0.18 -0.46 -0.15 0.08 0.00 0.00 0.00 175.76 175.41 1tz8 s VAL 30 N 1.29 1.48 -0.10 0.00 1.01 -0.50 -0.71 120.40 122.86 1tz8 s VAL 30 Ca 0.56 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1tz8 s VAL 30 Cb -0.26 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1tz8 s VAL 30 CO 0.27 0.44 -0.21 -1.00 0.00 0.00 0.00 175.10 174.60 1tz8 s HIS 31 N 1.00 2.62 -0.11 5.22 3.76 -0.25 -1.63 115.29 125.89 1tz8 s HIS 31 Ca -0.06 -0.91 -0.03 0.00 -0.15 0.00 0.00 55.06 53.90 1tz8 s HIS 31 Cb -0.15 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1tz8 s HIS 31 CO -0.02 -0.34 0.01 0.08 -0.85 0.00 0.00 174.74 173.62 1tz8 s VAL 32 N 0.29 4.40 0.10 -0.90 1.01 0.71 -0.19 120.40 125.81 1tz8 s VAL 32 Ca -0.15 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1tz8 s VAL 32 Cb -0.17 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1tz8 s VAL 32 CO 0.08 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.19 1tz8 s PHE 33 N -0.51 1.68 -0.07 5.22 0.40 0.37 -0.34 117.98 124.73 1tz8 s PHE 33 Ca 0.09 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1tz8 s PHE 33 Cb -0.12 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1tz8 s PHE 33 CO 0.02 0.18 -0.13 0.50 0.70 0.00 0.00 175.22 176.49 1tz8 s ARG 34 N -1.90 2.76 -0.08 0.44 3.52 0.23 -0.29 118.95 123.62 1tz8 s ARG 34 Ca 0.05 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 1tz8 s ARG 34 Cb -0.10 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 1tz8 s ARG 34 CO 0.04 0.51 1.52 0.21 -0.81 0.00 0.00 175.30 176.78 1tz8 s LYS 35 N -0.44 4.20 0.52 5.12 2.20 0.15 -1.05 119.74 130.44 1tz8 s LYS 35 Ca 0.05 2.02 -0.17 0.00 -0.36 0.00 0.00 55.97 57.51 1tz8 s LYS 35 Cb -0.12 -3.89 -0.08 0.00 -1.51 0.00 0.00 37.83 32.23 1tz8 s LYS 35 CO 0.02 -0.79 1.00 0.00 -0.36 0.00 0.00 175.35 175.22 1tz8 s ALA 36 N 3.77 2.98 0.43 3.13 0.00 0.28 -4.75 121.76 127.61 1tz8 s ALA 36 Ca 0.67 0.29 0.28 0.00 0.00 0.00 0.00 51.96 53.20 1tz8 s ALA 36 Cb -0.30 -3.16 1.38 0.00 0.00 0.00 0.00 23.12 21.04 1tz8 s ALA 36 CO 0.25 -0.31 1.64 0.00 0.00 0.00 0.00 175.76 177.34 1tz8 h ALA 37 N 1.01 2.62 -0.01 0.00 0.00 -1.94 2.77 119.26 123.72 1tz8 h ALA 37 Ca -0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1tz8 h ALA 37 Cb 1.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1tz8 h ALA 37 CO 0.60 -1.24 0.00 -0.40 0.00 0.00 0.00 179.25 178.21 1tz8 n ASP 38 N -4.74 0.40 0.00 0.00 5.68 -1.26 -4.88 116.55 111.75 1tz8 n ASP 38 Ca 0.36 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 1tz8 n ASP 38 Cb 1.35 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.33 1tz8 n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1tz8 n ASP 39 N -0.67 -2.37 -4.83 -1.12 8.00 0.93 -5.04 116.55 111.45 1tz8 n ASP 39 Ca 0.22 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.38 1tz8 n ASP 39 Cb 0.17 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1tz8 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1tz8 s THR 40 N -2.00 4.57 -0.55 -3.53 -4.23 -1.24 -4.76 115.64 103.90 1tz8 s THR 40 Ca 0.00 1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 61.44 1tz8 s THR 40 Cb 0.00 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.18 1tz8 s THR 40 CO 0.00 -0.07 0.96 0.26 -0.54 0.00 0.00 174.62 175.23 1tz8 s TRP 41 N -1.86 2.78 -0.03 3.99 0.52 -1.26 0.10 118.94 123.18 1tz8 s TRP 41 Ca 0.52 0.02 -0.16 0.00 0.02 0.00 0.00 56.10 56.50 1tz8 s TRP 41 Cb -0.12 -4.11 -0.05 0.00 -1.15 0.00 0.00 33.47 28.03 1tz8 s TRP 41 CO 0.18 -1.37 0.42 -1.21 0.02 0.00 0.00 176.95 174.99 1tz8 s GLU 42 N 4.03 4.03 0.15 4.98 2.02 -0.21 -4.88 118.70 128.82 1tz8 s GLU 42 Ca 0.31 0.42 -0.34 0.00 0.02 0.00 0.00 54.97 55.38 1tz8 s GLU 42 Cb -0.12 -3.27 -0.14 0.00 0.10 0.00 0.00 34.13 30.69 1tz8 s GLU 42 CO 0.20 0.57 1.53 -2.30 0.02 0.00 0.00 175.26 175.27 1tz8 n PRO 43 N 2.24 1.95 -0.01 0.39 -0.02 -1.26 -0.60 135.00 137.69 1tz8 n PRO 43 Ca -0.12 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1tz8 n PRO 43 Cb 0.52 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1tz8 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tz8 n PHE 44 N 3.19 0.00 -3.50 6.00 7.35 0.54 -4.79 117.46 126.26 1tz8 n PHE 44 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 1tz8 n PHE 44 Cb 0.27 -0.06 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 1tz8 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tz8 s ALA 45 N -2.03 -1.81 0.11 3.13 0.00 -1.03 -5.00 121.76 115.12 1tz8 s ALA 45 Ca -0.02 0.99 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 1tz8 s ALA 45 Cb 0.01 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.65 1tz8 s ALA 45 CO 0.04 -0.69 0.71 -1.54 0.00 0.00 0.00 175.76 174.27 1tz8 s SER 46 N -2.49 -0.48 0.07 0.00 1.04 -1.26 -0.21 113.70 110.35 1tz8 s SER 46 Ca 0.05 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 1tz8 s SER 46 Cb -0.01 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.72 1tz8 s SER 46 CO -0.09 -0.86 1.17 0.61 0.98 0.00 0.00 173.24 175.04 1tz8 n GLY 47 N -0.34 0.38 3.09 7.32 0.00 -0.64 -4.99 105.19 110.01 1tz8 n GLY 47 Ca -0.14 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 1tz8 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tz8 s LYS 48 N -2.03 1.37 0.59 1.61 1.02 -1.26 -1.42 119.74 119.62 1tz8 s LYS 48 Ca 0.27 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.56 1tz8 s LYS 48 Cb -0.02 -1.25 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 1tz8 s LYS 48 CO 0.02 0.23 1.29 0.25 -0.92 0.00 0.00 175.35 176.21 1tz8 n THR 49 N 3.07 4.18 -1.19 2.17 -2.24 -0.13 -4.79 114.28 115.35 1tz8 n THR 49 Ca -0.17 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 1tz8 n THR 49 Cb 0.54 -1.54 0.21 0.00 -2.10 0.00 0.00 70.33 67.44 1tz8 n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1tz8 n SER 50 N -1.25 -1.47 0.32 3.42 3.41 -0.60 -1.62 113.62 115.84 1tz8 n SER 50 Ca 0.13 -1.17 0.20 0.00 -0.26 0.00 0.00 58.87 57.77 1tz8 n SER 50 Cb 0.46 -0.89 1.09 0.00 -0.26 0.00 0.00 64.21 64.60 1tz8 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tz8 h GLU 51 N 0.00 0.00 -0.59 4.33 5.08 -1.94 -0.14 114.58 121.32 1tz8 h GLU 51 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1tz8 h GLU 51 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1tz8 h GLU 51 CO 0.25 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 177.13 1tz8 n SER 52 N -3.25 3.27 -0.34 1.42 3.41 -1.26 -4.78 113.62 112.09 1tz8 n SER 52 Ca -0.03 -2.11 -0.04 0.00 -0.26 0.00 0.00 58.87 56.44 1tz8 n SER 52 Cb 0.11 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 1tz8 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tz8 n GLY 53 N 1.27 0.71 3.36 5.00 0.00 -0.06 -4.79 105.19 110.68 1tz8 n GLY 53 Ca 0.19 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1tz8 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tz8 s GLU 54 N -1.94 1.34 -0.13 1.61 2.02 -1.26 0.45 118.70 120.79 1tz8 s GLU 54 Ca 0.00 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.59 1tz8 s GLU 54 Cb 0.00 -1.60 0.04 0.00 0.10 0.00 0.00 34.13 32.67 1tz8 s GLU 54 CO 0.00 0.35 -0.04 -0.51 0.02 0.00 0.00 175.26 175.08 1tz8 s LEU 55 N -2.43 1.21 -0.01 1.80 1.43 0.18 -1.55 118.68 119.30 1tz8 s LEU 55 Ca 0.15 -0.44 0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1tz8 s LEU 55 Cb -0.08 -0.75 -0.18 0.00 0.03 0.00 0.00 46.19 45.21 1tz8 s LEU 55 CO 0.07 -0.18 0.44 1.41 0.23 0.00 0.00 176.35 178.32 1tz8 n HIS 56 N 4.97 0.00 -1.06 0.29 8.25 -1.26 -1.44 115.22 124.97 1tz8 n HIS 56 Ca -0.11 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1tz8 n HIS 56 Cb 0.49 -0.15 0.27 0.00 1.12 0.00 0.00 29.99 31.71 1tz8 n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tz8 n GLY 57 N 1.51 4.04 0.28 -1.41 0.00 -1.26 -2.10 105.19 106.25 1tz8 n GLY 57 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.02 1tz8 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tz8 h LEU 58 N 1.96 0.22 -8.25 0.99 3.38 -1.84 -3.46 115.31 108.30 1tz8 h LEU 58 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1tz8 h LEU 58 Cb 1.63 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 1tz8 h LEU 58 CO 0.33 0.18 0.03 0.28 0.09 0.00 0.00 178.44 179.36 1tz8 s THR 59 N -5.20 0.00 0.34 0.22 -1.32 -1.26 -4.79 115.64 103.62 1tz8 s THR 59 Ca -0.06 -1.30 0.07 0.00 -1.21 0.00 0.00 61.69 59.18 1tz8 s THR 59 Cb 0.17 -2.66 -0.07 0.00 -1.51 0.00 0.00 72.50 68.44 1tz8 s THR 59 CO 0.70 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 173.50 1tz8 s THR 60 N -2.90 1.82 0.26 5.08 -4.23 -1.26 -4.29 115.64 110.13 1tz8 s THR 60 Ca 0.22 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1tz8 s THR 60 Cb -0.03 -2.70 0.24 0.00 1.34 0.00 0.00 72.50 71.36 1tz8 s THR 60 CO 0.15 -0.15 1.80 -0.33 -0.54 0.00 0.00 174.62 175.55 1tz8 h GLU 61 N 2.06 0.78 -0.42 3.99 5.08 -1.99 -1.66 114.58 122.42 1tz8 h GLU 61 Ca -0.42 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1tz8 h GLU 61 Cb 1.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1tz8 h GLU 61 CO 0.72 0.51 -0.13 0.93 -1.00 0.00 0.00 179.01 180.04 1tz8 h GLU 62 N 0.80 0.76 0.00 2.33 3.07 -2.04 -3.11 114.58 116.39 1tz8 h GLU 62 Ca 0.45 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1tz8 h GLU 62 Cb 0.50 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1tz8 h GLU 62 CO -0.29 0.86 -0.82 0.93 -1.40 0.00 0.00 179.01 178.29 1tz8 h GLU 63 N 0.69 0.00 -4.44 2.33 5.08 -1.87 -3.41 114.58 112.96 1tz8 h GLU 63 Ca 0.11 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.75 1tz8 h GLU 63 Cb 0.61 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1tz8 h GLU 63 CO 0.04 0.08 2.07 0.34 -1.00 0.00 0.00 179.01 180.54 1tz8 n PHE 64 N -2.84 4.01 -1.90 4.33 7.35 -0.66 -4.95 117.46 122.80 1tz8 n PHE 64 Ca -0.00 -3.01 -0.30 0.00 -0.76 0.00 0.00 57.45 53.38 1tz8 n PHE 64 Cb 0.60 -2.27 0.05 0.00 0.35 0.00 0.00 39.48 38.21 1tz8 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tz8 s VAL 65 N 2.04 3.43 0.48 -2.13 -7.23 -1.26 -4.96 120.40 110.76 1tz8 s VAL 65 Ca 0.45 0.45 -0.24 0.00 -1.81 0.00 0.00 61.98 60.83 1tz8 s VAL 65 Cb 0.06 -3.46 -0.08 0.00 0.56 0.00 0.00 36.38 33.46 1tz8 s VAL 65 CO 0.00 -0.60 1.30 1.21 -0.31 0.00 0.00 175.10 176.70 1tz8 n GLU 66 N -3.01 1.83 -3.78 4.82 0.00 -1.26 -4.83 120.64 114.41 1tz8 n GLU 66 Ca 0.07 0.66 0.00 0.00 0.00 0.00 0.00 57.16 57.89 1tz8 n GLU 66 Cb 0.57 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.55 1tz8 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tz8 n GLY 67 N 0.80 -2.51 3.67 8.31 0.00 -1.05 -5.00 105.19 109.42 1tz8 n GLY 67 Ca 0.08 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1tz8 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tz8 s ILE 68 N -2.03 5.29 0.07 -0.61 1.01 -1.26 -0.07 121.20 123.60 1tz8 s ILE 68 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1tz8 s ILE 68 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1tz8 s ILE 68 CO 0.00 0.31 -0.16 -0.31 0.00 0.00 0.00 174.94 174.78 1tz8 s TYR 69 N 1.10 2.60 -0.15 3.97 1.51 0.52 -0.68 117.35 126.22 1tz8 s TYR 69 Ca 0.13 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1tz8 s TYR 69 Cb -0.14 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1tz8 s TYR 69 CO 0.06 0.33 -0.20 0.21 -1.11 0.00 0.00 175.55 174.83 1tz8 s LYS 70 N -1.76 3.05 -0.31 -0.62 2.20 0.60 -1.31 119.74 121.59 1tz8 s LYS 70 Ca 0.17 -0.83 -0.09 0.00 -0.36 0.00 0.00 55.97 54.86 1tz8 s LYS 70 Cb -0.11 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1tz8 s LYS 70 CO 0.08 -0.06 0.13 0.08 -0.36 0.00 0.00 175.35 175.22 1tz8 s VAL 71 N 0.93 4.35 -0.21 4.02 1.01 0.14 -0.48 120.40 130.16 1tz8 s VAL 71 Ca -0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1tz8 s VAL 71 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1tz8 s VAL 71 CO -0.04 0.06 0.04 -1.61 0.00 0.00 0.00 175.10 173.55 1tz8 s GLU 72 N 1.57 3.74 -0.20 2.72 0.41 0.73 -0.47 118.70 127.20 1tz8 s GLU 72 Ca 0.04 -0.46 -0.03 0.00 -0.41 0.00 0.00 54.97 54.12 1tz8 s GLU 72 Cb -0.17 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1tz8 s GLU 72 CO 0.05 0.04 -0.08 0.42 -0.49 0.00 0.00 175.26 175.20 1tz8 s ILE 73 N 0.98 3.17 -1.35 -1.63 1.01 0.66 -1.09 121.20 122.93 1tz8 s ILE 73 Ca 0.03 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1tz8 s ILE 73 Cb -0.14 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1tz8 s ILE 73 CO 0.02 0.46 2.08 -0.67 0.00 0.00 0.00 174.94 176.83 1tz8 n ASP 74 N 4.51 3.99 0.10 3.58 -0.08 0.11 -1.81 116.55 126.95 1tz8 n ASP 74 Ca -0.18 -2.84 -0.01 0.00 -1.51 0.00 0.00 54.79 50.24 1tz8 n ASP 74 Cb 0.51 -1.64 0.26 0.00 2.34 0.00 0.00 41.12 42.60 1tz8 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1tz8 h THR 75 N 4.49 1.28 0.05 5.18 1.35 -1.86 -3.13 112.91 120.27 1tz8 h THR 75 Ca 0.52 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1tz8 h THR 75 Cb 0.71 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1tz8 h THR 75 CO 1.77 0.40 -0.03 0.50 -0.25 0.00 0.00 175.52 177.92 1tz8 h LYS 76 N 0.21 -0.07 -0.40 4.72 3.64 -1.76 -1.99 116.57 120.92 1tz8 h LYS 76 Ca 0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1tz8 h LYS 76 Cb 0.71 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1tz8 h LYS 76 CO 0.05 -0.05 0.09 0.77 -2.27 0.00 0.00 179.45 178.05 1tz8 h SER 77 N -0.07 0.54 0.35 4.20 0.02 -1.89 -1.64 113.55 115.07 1tz8 h SER 77 Ca -0.01 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1tz8 h SER 77 Cb 0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1tz8 h SER 77 CO 0.01 0.55 -0.27 0.22 -1.14 0.00 0.00 176.83 176.20 1tz8 h TYR 78 N 0.58 -0.70 -0.50 3.45 3.20 -1.42 -2.19 116.97 119.38 1tz8 h TYR 78 Ca 0.13 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1tz8 h TYR 78 Cb 0.23 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1tz8 h TYR 78 CO 0.01 -0.40 0.04 -1.49 -1.64 0.00 0.00 178.16 174.68 1tz8 h TRP 79 N -0.62 0.92 -0.63 -3.82 4.06 -1.20 -3.06 115.95 111.60 1tz8 h TRP 79 Ca -0.03 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 1tz8 h TRP 79 Cb 0.53 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 1tz8 h TRP 79 CO -0.13 0.86 0.36 0.87 -3.56 0.00 0.00 178.44 176.83 1tz8 h LYS 80 N 0.72 0.86 0.00 0.49 1.57 -1.15 -0.82 116.57 118.24 1tz8 h LYS 80 Ca 0.15 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1tz8 h LYS 80 Cb 0.46 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1tz8 h LYS 80 CO 0.02 0.62 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1tz8 h ALA 81 N 1.52 1.00 -0.30 3.86 0.00 -1.29 -0.94 119.26 123.11 1tz8 h ALA 81 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1tz8 h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tz8 h ALA 81 CO -0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1tz8 n LEU 82 N -2.56 2.92 -0.18 0.00 4.77 -0.41 -4.94 117.00 116.59 1tz8 n LEU 82 Ca 0.01 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 54.74 1tz8 n LEU 82 Cb 0.21 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1tz8 n LEU 82 CO 0.21 0.61 -0.02 0.61 -1.33 0.00 0.00 177.39 177.47 1tz8 n GLY 83 N 1.39 0.51 3.47 -0.72 0.00 -0.36 -5.05 105.19 104.43 1tz8 n GLY 83 Ca 0.18 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1tz8 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tz8 s ILE 84 N -2.09 3.11 -0.49 -0.61 1.01 -0.65 -5.01 121.20 116.48 1tz8 s ILE 84 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 1tz8 s ILE 84 Cb 0.00 -2.24 0.07 0.00 0.01 0.00 0.00 42.46 40.30 1tz8 s ILE 84 CO 0.00 0.58 0.50 -0.55 0.00 0.00 0.00 174.94 175.47 1tz8 s SER 85 N -0.55 6.18 0.61 3.58 0.15 -1.26 -2.85 113.70 119.55 1tz8 s SER 85 Ca 0.08 -1.16 -0.07 0.00 0.70 0.00 0.00 55.95 55.50 1tz8 s SER 85 Cb -0.12 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 1tz8 s SER 85 CO 0.01 -0.77 0.93 -2.16 1.20 0.00 0.00 173.24 172.46 1tz8 s PRO 86 N 2.09 2.93 -0.08 5.44 0.04 -1.26 -4.98 135.00 139.17 1tz8 s PRO 86 Ca 0.09 0.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 1tz8 s PRO 86 Cb -0.22 -2.23 -0.25 0.00 0.04 0.00 0.00 34.50 31.84 1tz8 s PRO 86 CO 0.09 -0.74 0.95 0.35 0.04 0.00 0.00 177.00 177.68 1tz8 h PHE 87 N -0.24 0.18 -3.57 0.56 3.57 -1.15 -3.47 116.94 112.81 1tz8 h PHE 87 Ca -0.45 -0.11 -0.52 0.00 3.53 0.00 0.00 57.97 60.42 1tz8 h PHE 87 Cb 1.25 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1tz8 h PHE 87 CO 0.48 0.96 0.10 -1.01 -2.23 0.00 0.00 178.31 176.61 1tz8 s HIS 88 N -2.84 3.63 0.26 0.41 3.76 -1.26 -4.96 115.29 114.28 1tz8 s HIS 88 Ca -0.17 1.36 0.17 0.00 -0.15 0.00 0.00 55.06 56.27 1tz8 s HIS 88 Cb -0.00 -2.60 0.71 0.00 1.11 0.00 0.00 32.58 31.79 1tz8 s HIS 88 CO 0.73 0.32 1.77 0.93 -0.85 0.00 0.00 174.74 177.64 1tz8 h GLU 89 N 3.33 0.00 0.00 1.40 4.39 -1.99 -3.38 114.58 118.33 1tz8 h GLU 89 Ca -0.48 0.00 0.34 0.00 0.34 0.00 0.00 59.36 59.56 1tz8 h GLU 89 Cb 1.19 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 1tz8 h GLU 89 CO 0.65 0.39 0.86 -2.39 -1.16 0.00 0.00 179.01 177.37 1tz8 n HIS 90 N -3.72 -0.29 -4.89 4.33 1.44 -1.26 -4.12 115.22 106.71 1tz8 n HIS 90 Ca -0.01 -0.62 -0.26 0.00 -2.01 0.00 0.00 57.72 54.82 1tz8 n HIS 90 Cb 0.48 0.28 -0.16 0.00 0.12 0.00 0.00 29.99 30.71 1tz8 n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tz8 s ALA 91 N -1.93 1.57 -0.01 1.59 0.00 -0.75 -4.89 121.76 117.33 1tz8 s ALA 91 Ca 0.28 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1tz8 s ALA 91 Cb -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1tz8 s ALA 91 CO -0.01 0.34 -0.14 -2.00 0.00 0.00 0.00 175.76 173.95 1tz8 s GLU 92 N -0.22 1.15 -0.16 0.00 2.12 -1.26 -0.25 118.70 120.09 1tz8 s GLU 92 Ca 0.02 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1tz8 s GLU 92 Cb -0.09 -1.12 0.03 0.00 0.26 0.00 0.00 34.13 33.21 1tz8 s GLU 92 CO 0.01 0.31 -0.13 0.08 -0.54 0.00 0.00 175.26 174.99 1tz8 s VAL 93 N -0.33 1.53 -0.13 3.70 1.01 0.38 -4.97 120.40 121.59 1tz8 s VAL 93 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1tz8 s VAL 93 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1tz8 s VAL 93 CO -0.01 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.59 1tz8 s VAL 94 N 1.49 1.90 0.02 2.92 1.01 -1.26 0.26 120.40 126.73 1tz8 s VAL 94 Ca 0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1tz8 s VAL 94 Cb -0.14 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1tz8 s VAL 94 CO -0.10 0.52 0.32 0.72 0.00 0.00 0.00 175.10 176.56 1tz8 s PHE 95 N 0.92 -0.16 0.01 5.22 -0.71 -0.43 -5.00 117.98 117.83 1tz8 s PHE 95 Ca -0.06 0.14 -0.26 0.00 -1.04 0.00 0.00 56.93 55.71 1tz8 s PHE 95 Cb -0.15 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1tz8 s PHE 95 CO -0.03 -0.46 0.82 0.99 -1.34 0.00 0.00 175.22 175.20 1tz8 s THR 96 N -2.00 4.82 0.02 -4.49 2.01 -1.26 -0.35 115.64 114.38 1tz8 s THR 96 Ca -0.09 1.73 0.05 0.00 0.31 0.00 0.00 61.69 63.69 1tz8 s THR 96 Cb -0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1tz8 s THR 96 CO 0.00 0.28 -0.12 0.00 -0.69 0.00 0.00 174.62 174.09 1tz8 s ALA 97 N 0.42 2.81 -1.50 7.40 0.00 0.91 -4.71 121.76 127.09 1tz8 s ALA 97 Ca 0.42 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 1tz8 s ALA 97 Cb -0.20 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1tz8 s ALA 97 CO 0.24 0.59 0.57 0.09 0.00 0.00 0.00 175.76 177.25 1tz8 n ASN 98 N 1.61 -5.62 -0.01 0.00 3.02 -1.26 -2.54 115.26 110.45 1tz8 n ASN 98 Ca -0.16 -0.30 -0.03 0.00 -0.03 0.00 0.00 54.58 54.06 1tz8 n ASN 98 Cb 0.52 -4.56 0.21 0.00 -0.61 0.00 0.00 39.78 35.35 1tz8 n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1tz8 h ASP 99 N -1.28 0.54 -0.66 6.41 3.58 -1.92 -3.07 116.42 120.02 1tz8 h ASP 99 Ca -0.51 -0.16 -0.49 0.00 0.42 0.00 0.00 57.03 56.30 1tz8 h ASP 99 Cb 1.35 -0.15 -0.38 0.00 1.72 0.00 0.00 39.33 41.87 1tz8 h ASP 99 CO 0.56 0.72 -0.79 -1.20 -2.88 0.00 0.00 179.24 175.65 1tz8 n SER 100 N -4.17 4.53 0.00 2.28 7.64 -1.26 -5.07 113.62 117.56 1tz8 n SER 100 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1tz8 n SER 100 Cb 0.35 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1tz8 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tz8 n GLY 101 N -0.75 1.97 3.74 0.23 0.00 -1.16 -5.02 105.19 104.20 1tz8 n GLY 101 Ca 0.41 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1tz8 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tz8 s PRO 102 N -2.42 4.31 0.24 1.61 0.02 -1.26 -4.24 135.00 133.26 1tz8 s PRO 102 Ca 0.00 2.20 0.05 0.00 0.02 0.00 0.00 61.00 63.27 1tz8 s PRO 102 Cb 0.00 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1tz8 s PRO 102 CO 0.00 -0.37 -0.05 1.03 -0.33 0.00 0.00 177.00 177.28 1tz8 s ARG 103 N -0.12 1.38 -0.16 5.54 1.81 -1.26 -4.51 118.95 121.64 1tz8 s ARG 103 Ca 0.59 -1.68 -0.09 0.00 -1.72 0.00 0.00 55.73 52.83 1tz8 s ARG 103 Cb -0.40 -0.87 -0.05 0.00 -0.45 0.00 0.00 34.95 33.19 1tz8 s ARG 103 CO 0.40 0.00 0.15 1.03 -0.68 0.00 0.00 175.30 176.21 1tz8 s ARG 104 N -3.78 3.85 -0.07 3.54 1.81 0.38 -4.89 118.95 119.80 1tz8 s ARG 104 Ca 0.27 -0.14 0.05 0.00 -1.72 0.00 0.00 55.73 54.18 1tz8 s ARG 104 Cb 0.04 -3.31 -0.00 0.00 -0.45 0.00 0.00 34.95 31.22 1tz8 s ARG 104 CO 0.09 0.52 -0.22 0.71 -0.68 0.00 0.00 175.30 175.72 1tz8 s TYR 105 N -0.30 2.22 -0.16 -0.53 1.51 0.14 -1.51 117.35 118.72 1tz8 s TYR 105 Ca 0.12 -0.75 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1tz8 s TYR 105 Cb -0.12 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1tz8 s TYR 105 CO 0.02 -0.27 -0.16 0.99 -1.11 0.00 0.00 175.55 175.01 1tz8 s THR 106 N 0.11 1.72 -0.25 -0.71 2.01 -0.55 -0.32 115.64 117.66 1tz8 s THR 106 Ca -0.09 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1tz8 s THR 106 Cb -0.15 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1tz8 s THR 106 CO 0.05 0.48 0.03 -0.63 -0.69 0.00 0.00 174.62 173.86 1tz8 s ILE 107 N 1.39 3.85 -0.06 1.82 1.01 0.13 -1.14 121.20 128.20 1tz8 s ILE 107 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1tz8 s ILE 107 Cb -0.13 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1tz8 s ILE 107 CO -0.11 0.32 -0.14 0.00 0.00 0.00 0.00 174.94 175.01 1tz8 s ALA 108 N 1.53 2.69 -0.06 9.38 0.00 -0.25 -1.00 121.76 134.05 1tz8 s ALA 108 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1tz8 s ALA 108 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.98 1tz8 s ALA 108 CO 0.01 0.53 -0.09 0.00 0.00 0.00 0.00 175.76 176.21 1tz8 s ALA 109 N -0.65 1.08 -0.17 0.00 0.00 0.23 -1.34 121.76 120.92 1tz8 s ALA 109 Ca 0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 1tz8 s ALA 109 Cb -0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1tz8 s ALA 109 CO 0.01 0.00 -0.02 -1.17 0.00 0.00 0.00 175.76 174.58 1tz8 s LEU 110 N 0.89 3.28 -0.11 0.00 2.96 0.48 -0.94 118.68 125.25 1tz8 s LEU 110 Ca -0.11 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1tz8 s LEU 110 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1tz8 s LEU 110 CO 0.01 0.14 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.34 1tz8 s LEU 111 N 0.52 3.00 0.13 -0.68 1.43 0.10 -1.78 118.68 121.39 1tz8 s LEU 111 Ca -0.02 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1tz8 s LEU 111 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1tz8 s LEU 111 CO 0.02 0.25 -0.07 -0.44 0.23 0.00 0.00 176.35 176.34 1tz8 s SER 112 N -0.14 1.40 0.31 2.29 0.01 -0.28 -1.16 113.70 116.13 1tz8 s SER 112 Ca 0.01 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.32 1tz8 s SER 112 Cb -0.13 0.06 0.85 0.00 0.21 0.00 0.00 66.02 67.01 1tz8 s SER 112 CO 0.03 -0.43 1.73 -0.65 0.41 0.00 0.00 173.24 174.33 1tz8 h PRO 113 N 2.86 0.57 -0.20 12.44 0.11 -1.99 -2.61 132.00 143.18 1tz8 h PRO 113 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1tz8 h PRO 113 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1tz8 h PRO 113 CO 0.64 0.38 0.00 0.66 -0.21 0.00 0.00 178.00 179.47 1tz8 n TYR 114 N -4.89 0.43 -3.66 0.65 4.02 -1.26 -0.52 117.16 111.93 1tz8 n TYR 114 Ca 0.26 -0.67 -0.15 0.00 -0.01 0.00 0.00 57.90 57.32 1tz8 n TYR 114 Cb 0.71 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.83 1tz8 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tz8 s SER 115 N -1.52 -0.39 -0.01 7.72 0.15 -0.98 -4.95 113.70 113.72 1tz8 s SER 115 Ca 0.25 0.36 -0.07 0.00 0.70 0.00 0.00 55.95 57.18 1tz8 s SER 115 Cb 0.18 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1tz8 s SER 115 CO 0.09 -0.51 0.15 -0.72 1.20 0.00 0.00 173.24 173.45 1tz8 s TYR 116 N -1.24 -0.02 0.02 3.44 -0.85 -1.26 -1.13 117.35 116.32 1tz8 s TYR 116 Ca -0.12 0.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.50 1tz8 s TYR 116 Cb -0.03 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 1tz8 s TYR 116 CO 0.06 -0.25 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.55 1tz8 s SER 117 N -1.08 2.07 0.01 -0.18 0.01 -0.73 -4.99 113.70 108.81 1tz8 s SER 117 Ca -0.12 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.73 1tz8 s SER 117 Cb -0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1tz8 s SER 117 CO 0.01 0.14 -0.05 0.28 0.41 0.00 0.00 173.24 174.04 1tz8 s THR 118 N -0.66 0.34 0.07 1.44 -1.32 -1.26 -0.38 115.64 113.86 1tz8 s THR 118 Ca 0.05 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1tz8 s THR 118 Cb -0.08 -0.34 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1tz8 s THR 118 CO 0.01 -0.10 -0.04 0.28 -2.21 0.00 0.00 174.62 172.55 1tz8 s THR 119 N -0.58 0.42 -0.03 5.08 -1.32 -0.45 -4.99 115.64 113.76 1tz8 s THR 119 Ca -0.04 -1.85 0.06 0.00 -1.21 0.00 0.00 61.69 58.66 1tz8 s THR 119 Cb -0.05 -1.57 -0.01 0.00 -1.51 0.00 0.00 72.50 69.36 1tz8 s THR 119 CO -0.00 -0.94 -0.21 0.00 -2.21 0.00 0.00 174.62 171.26 1tz8 s ALA 120 N -3.76 1.80 -0.18 11.08 0.00 -1.26 -1.09 121.76 128.35 1tz8 s ALA 120 Ca 0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1tz8 s ALA 120 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1tz8 s ALA 120 CO -0.08 0.40 -0.10 0.08 0.00 0.00 0.00 175.76 176.07 1tz8 s VAL 121 N -0.32 3.06 -0.16 0.00 1.01 -0.29 -4.99 120.40 118.71 1tz8 s VAL 121 Ca 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1tz8 s VAL 121 Cb -0.10 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1tz8 s VAL 121 CO 0.01 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1tz8 s VAL 122 N 1.08 2.04 0.19 2.92 1.01 -1.26 -1.48 120.40 124.90 1tz8 s VAL 122 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1tz8 s VAL 122 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1tz8 s VAL 122 CO -0.02 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 175.85 1tz8 s THR 123 N 1.12 1.97 -0.26 3.92 -4.23 -0.57 -4.95 115.64 112.63 1tz8 s THR 123 Ca 0.00 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1tz8 s THR 123 Cb -0.14 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.75 1tz8 s THR 123 CO -0.09 -0.35 -0.04 0.21 -0.54 0.00 0.00 174.62 173.82 1tz8 s ASN 124 N -2.89 4.50 0.00 3.99 3.84 -1.26 -0.47 114.94 122.65 1tz8 s ASN 124 Ca 0.19 -0.95 0.17 0.00 0.21 0.00 0.00 52.86 52.49 1tz8 s ASN 124 Cb -0.05 -1.69 1.01 0.00 -0.55 0.00 0.00 41.25 39.97 1tz8 s ASN 124 CO 0.08 -0.16 1.41 -0.81 -2.79 0.00 0.00 177.10 174.84