#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz8 n PRO 11 N 0.00 0.43 -3.81 0.00 -0.04 -1.26 -4.67 135.00 125.64 1tz8 n PRO 11 Ca 0.00 -0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1tz8 n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1tz8 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tz8 s LEU 12 N -2.63 1.00 -0.02 1.53 2.96 -1.26 -0.55 118.68 119.72 1tz8 s LEU 12 Ca 0.26 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1tz8 s LEU 12 Cb 0.20 -0.63 -0.00 0.00 0.50 0.00 0.00 46.19 46.25 1tz8 s LEU 12 CO 0.49 -0.20 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.89 1tz8 s MET 13 N 1.84 0.98 -0.05 1.98 1.75 -0.44 -4.35 119.30 121.02 1tz8 s MET 13 Ca 0.03 -0.38 0.04 0.00 -1.25 0.00 0.00 55.69 54.12 1tz8 s MET 13 Cb -0.14 -0.93 0.00 0.00 2.84 0.00 0.00 34.83 36.61 1tz8 s MET 13 CO -0.07 0.20 -0.16 0.08 -0.65 0.00 0.00 175.02 174.43 1tz8 s VAL 14 N -0.10 1.35 -0.04 10.11 1.01 -0.80 -0.76 120.40 131.16 1tz8 s VAL 14 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1tz8 s VAL 14 Cb -0.06 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1tz8 s VAL 14 CO -0.00 0.39 -0.06 -0.75 0.00 0.00 0.00 175.10 174.69 1tz8 s LYS 15 N 0.18 0.82 -0.09 2.72 2.20 -0.21 -0.40 119.74 124.97 1tz8 s LYS 15 Ca -0.06 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1tz8 s LYS 15 Cb -0.12 -0.80 0.02 0.00 -1.51 0.00 0.00 37.83 35.41 1tz8 s LYS 15 CO 0.03 -0.02 -0.09 0.08 -0.36 0.00 0.00 175.35 174.99 1tz8 s VAL 16 N 0.64 1.01 0.18 4.02 1.01 0.23 -1.05 120.40 126.44 1tz8 s VAL 16 Ca -0.09 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1tz8 s VAL 16 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1tz8 s VAL 16 CO 0.00 0.35 -0.17 -0.76 0.00 0.00 0.00 175.10 174.52 1tz8 s LEU 17 N 1.26 2.70 -0.30 3.92 1.43 -0.09 -1.40 118.68 126.20 1tz8 s LEU 17 Ca -0.04 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 1tz8 s LEU 17 Cb -0.14 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1tz8 s LEU 17 CO -0.03 0.12 0.08 -0.62 0.23 0.00 0.00 176.35 176.13 1tz8 s ASP 18 N -2.65 5.14 0.30 2.29 -1.08 0.43 -0.33 116.67 120.77 1tz8 s ASP 18 Ca 0.22 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1tz8 s ASP 18 Cb -0.09 -1.88 0.56 0.00 -1.46 0.00 0.00 42.92 40.05 1tz8 s ASP 18 CO 0.12 -0.20 1.65 0.00 0.52 0.00 0.00 175.17 177.26 1tz8 h ALA 19 N 8.23 0.95 0.15 3.66 0.00 -1.47 -0.66 119.26 130.13 1tz8 h ALA 19 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 1tz8 h ALA 19 Cb 1.12 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.93 1tz8 h ALA 19 CO 0.60 0.00 -1.15 0.28 0.00 0.00 0.00 179.25 178.98 1tz8 h VAL 20 N 0.00 1.30 0.00 0.00 2.07 -1.94 -3.39 116.25 114.29 1tz8 h VAL 20 Ca 0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1tz8 h VAL 20 Cb 0.86 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1tz8 h VAL 20 CO 0.00 0.73 -1.23 0.54 0.02 0.00 0.00 177.57 177.63 1tz8 n ARG 21 N -3.98 0.27 -2.90 1.57 1.74 -1.24 -5.00 116.66 107.14 1tz8 n ARG 21 Ca -0.18 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.74 1tz8 n ARG 21 Cb 0.90 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1tz8 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tz8 n GLY 22 N 1.44 -0.08 3.32 -0.13 0.00 -0.28 -5.04 105.19 104.42 1tz8 n GLY 22 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1tz8 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tz8 s SER 23 N -3.84 0.04 0.68 1.61 1.04 -1.06 -5.00 113.70 107.17 1tz8 s SER 23 Ca 0.01 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.45 1tz8 s SER 23 Cb -0.00 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1tz8 s SER 23 CO 0.46 -0.87 1.19 -2.16 0.98 0.00 0.00 173.24 172.84 1tz8 s PRO 24 N -3.95 2.47 -0.40 4.02 0.04 -1.26 -0.43 135.00 135.49 1tz8 s PRO 24 Ca 0.15 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1tz8 s PRO 24 Cb 0.03 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1tz8 s PRO 24 CO -0.02 -1.57 0.36 0.00 0.04 0.00 0.00 177.00 175.82 1tz8 s ALA 25 N -1.94 3.46 0.19 8.56 0.00 -0.49 -4.64 121.76 126.89 1tz8 s ALA 25 Ca 0.74 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1tz8 s ALA 25 Cb -0.28 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1tz8 s ALA 25 CO 0.41 -1.45 0.41 0.96 0.00 0.00 0.00 175.76 176.10 1tz8 s ILE 26 N 1.91 5.15 -1.66 0.00 -0.00 -1.26 -4.32 121.20 121.03 1tz8 s ILE 26 Ca 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.65 60.62 1tz8 s ILE 26 Cb -0.18 -3.68 0.00 0.00 -0.00 0.00 0.00 42.46 38.61 1tz8 s ILE 26 CO 0.12 -0.10 0.29 0.59 -0.00 0.00 0.00 174.94 175.84 1tz8 n ASN 27 N -0.35 -5.94 -4.68 4.36 3.02 0.39 -4.91 115.26 107.15 1tz8 n ASN 27 Ca -0.03 -0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 53.98 1tz8 n ASN 27 Cb 0.53 -4.88 -0.05 0.00 -0.61 0.00 0.00 39.78 34.77 1tz8 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tz8 s VAL 28 N -3.10 5.02 0.16 2.41 1.01 -1.26 -4.70 120.40 119.95 1tz8 s VAL 28 Ca 0.15 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1tz8 s VAL 28 Cb -0.07 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1tz8 s VAL 28 CO 0.18 0.15 1.32 0.00 0.00 0.00 0.00 175.10 176.76 1tz8 s ALA 29 N 1.58 3.53 -0.11 5.51 0.00 -1.26 -1.34 121.76 129.67 1tz8 s ALA 29 Ca 0.32 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1tz8 s ALA 29 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1tz8 s ALA 29 CO 0.12 -0.55 -0.13 0.08 0.00 0.00 0.00 175.76 175.29 1tz8 s VAL 30 N 0.52 1.34 -0.14 0.00 1.01 0.15 -0.62 120.40 122.66 1tz8 s VAL 30 Ca 0.59 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1tz8 s VAL 30 Cb -0.36 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1tz8 s VAL 30 CO 0.35 0.41 -0.18 -1.00 0.00 0.00 0.00 175.10 174.68 1tz8 s HIS 31 N 1.14 2.73 0.03 5.22 3.76 0.29 -1.61 115.29 126.85 1tz8 s HIS 31 Ca -0.04 -1.10 0.02 0.00 -0.15 0.00 0.00 55.06 53.79 1tz8 s HIS 31 Cb -0.14 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1tz8 s HIS 31 CO -0.03 -0.49 0.02 0.08 -0.85 0.00 0.00 174.74 173.47 1tz8 s VAL 32 N 0.75 4.23 0.06 -0.90 1.01 0.71 -0.13 120.40 126.11 1tz8 s VAL 32 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1tz8 s VAL 32 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1tz8 s VAL 32 CO 0.01 0.27 -0.10 -0.36 0.00 0.00 0.00 175.10 174.92 1tz8 s PHE 33 N -1.20 0.87 -0.08 5.22 0.40 0.93 -1.08 117.98 123.05 1tz8 s PHE 33 Ca 0.23 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1tz8 s PHE 33 Cb -0.12 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 1tz8 s PHE 33 CO 0.14 -0.04 -0.07 0.50 0.70 0.00 0.00 175.22 176.45 1tz8 s ARG 34 N -1.87 2.83 0.15 0.44 3.52 0.07 -0.38 118.95 123.70 1tz8 s ARG 34 Ca -0.05 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1tz8 s ARG 34 Cb -0.08 -2.61 -0.07 0.00 -1.56 0.00 0.00 34.95 30.62 1tz8 s ARG 34 CO 0.01 0.62 1.11 0.21 -0.81 0.00 0.00 175.30 176.44 1tz8 s LYS 35 N -0.70 4.56 0.26 5.12 2.47 0.11 -1.04 119.74 130.52 1tz8 s LYS 35 Ca 0.11 1.71 0.06 0.00 -1.56 0.00 0.00 55.97 56.29 1tz8 s LYS 35 Cb -0.11 -3.30 -0.03 0.00 -1.46 0.00 0.00 37.83 32.93 1tz8 s LYS 35 CO 0.02 0.00 0.35 0.00 0.16 0.00 0.00 175.35 175.88 1tz8 s ALA 36 N 0.07 3.93 -1.70 3.13 0.00 0.35 -4.74 121.76 122.79 1tz8 s ALA 36 Ca 0.51 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1tz8 s ALA 36 Cb -0.29 -1.63 0.19 0.00 0.00 0.00 0.00 23.12 21.39 1tz8 s ALA 36 CO 0.34 0.18 0.81 0.00 0.00 0.00 0.00 175.76 177.09 1tz8 n ALA 37 N -1.41 1.49 -0.37 0.00 0.00 -1.26 0.75 120.51 119.71 1tz8 n ALA 37 Ca -0.07 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1tz8 n ALA 37 Cb 0.57 -1.06 0.27 0.00 0.00 0.00 0.00 19.45 19.24 1tz8 n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1tz8 n ASP 38 N -1.15 3.75 -1.18 0.00 5.68 -1.26 0.00 116.55 122.39 1tz8 n ASP 38 Ca 0.02 -2.10 -0.14 0.00 -0.50 0.00 0.00 54.79 52.07 1tz8 n ASP 38 Cb 0.02 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.53 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 1.13 -4.59 -4.93 -1.12 9.92 0.23 -5.00 116.55 112.19 1tz8 n ASP 39 Ca 0.21 0.27 -0.27 0.00 -0.53 0.00 0.00 54.79 54.46 1tz8 n ASP 39 Cb 0.61 -3.42 -0.03 0.00 -0.64 0.00 0.00 41.12 37.64 1tz8 n ASP 39 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1tz8 s THR 40 N -2.56 5.18 -0.38 -3.53 -1.32 -1.24 -4.85 115.64 106.93 1tz8 s THR 40 Ca 0.00 -0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 59.98 1tz8 s THR 40 Cb 0.00 -3.75 0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1tz8 s THR 40 CO 0.00 -0.24 0.24 0.26 -2.21 0.00 0.00 174.62 172.67 1tz8 s TRP 41 N -1.94 3.24 -0.14 9.09 0.52 -1.26 -0.50 118.94 127.95 1tz8 s TRP 41 Ca 0.39 -0.78 -0.16 0.00 0.02 0.00 0.00 56.10 55.58 1tz8 s TRP 41 Cb -0.11 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1tz8 s TRP 41 CO 0.30 -0.61 0.37 -1.83 0.02 0.00 0.00 176.95 175.20 1tz8 s GLU 42 N 1.61 4.28 -0.23 4.98 1.03 -0.21 -4.89 118.70 125.27 1tz8 s GLU 42 Ca 0.03 0.24 -0.41 0.00 0.03 0.00 0.00 54.97 54.86 1tz8 s GLU 42 Cb -0.19 -3.42 -0.18 0.00 -0.80 0.00 0.00 34.13 29.54 1tz8 s GLU 42 CO 0.08 0.22 1.52 -2.30 -1.33 0.00 0.00 175.26 173.45 1tz8 n PRO 43 N 3.57 0.64 -0.05 -4.83 -0.02 -1.26 -0.75 135.00 132.30 1tz8 n PRO 43 Ca -0.10 0.23 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1tz8 n PRO 43 Cb 0.52 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.83 0.00 -3.61 6.00 7.35 -0.24 -4.78 117.46 126.01 1tz8 n PHE 44 Ca 0.25 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.91 1tz8 n PHE 44 Cb 0.08 -0.39 -0.02 0.00 0.35 0.00 0.00 39.48 39.50 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 -2.20 -2.15 0.26 3.13 0.00 -1.14 -5.01 121.76 114.65 1tz8 s ALA 45 Ca -0.14 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 1tz8 s ALA 45 Cb 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1tz8 s ALA 45 CO 0.23 -0.65 0.65 -1.54 0.00 0.00 0.00 175.76 174.45 1tz8 s SER 46 N -2.25 -0.25 0.00 0.00 1.04 -1.26 -0.21 113.70 110.77 1tz8 s SER 46 Ca 0.11 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1tz8 s SER 46 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1tz8 s SER 46 CO -0.04 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1tz8 n GLY 47 N -0.43 -1.33 3.23 7.32 0.00 -0.64 -4.94 105.19 108.40 1tz8 n GLY 47 Ca -0.05 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.18 0.98 0.58 1.61 1.02 -1.26 -0.68 119.74 120.81 1tz8 s LYS 48 Ca 0.00 -1.09 -0.18 0.00 0.02 0.00 0.00 55.97 54.72 1tz8 s LYS 48 Cb 0.00 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 1tz8 s LYS 48 CO 0.00 0.24 1.14 0.95 -0.92 0.00 0.00 175.35 176.76 1tz8 s THR 49 N -1.38 3.04 0.14 2.17 -4.23 -0.45 -4.77 115.64 110.17 1tz8 s THR 49 Ca 0.03 0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1tz8 s THR 49 Cb -0.09 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.57 1tz8 s THR 49 CO 0.03 -0.18 0.19 -1.54 -0.54 0.00 0.00 174.62 172.59 1tz8 n SER 50 N -1.63 0.09 0.18 3.99 3.41 -0.13 -0.46 113.62 119.07 1tz8 n SER 50 Ca 0.12 -1.12 0.14 0.00 -0.26 0.00 0.00 58.87 57.75 1tz8 n SER 50 Cb 0.51 -0.14 0.56 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.24 4.33 3.07 -1.93 0.09 114.58 119.91 1tz8 h GLU 51 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1tz8 h GLU 51 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1tz8 h GLU 51 CO 0.05 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.53 1tz8 n SER 52 N -2.52 2.31 -0.01 1.42 3.41 -1.26 -4.79 113.62 112.17 1tz8 n SER 52 Ca 0.02 -1.82 -0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1tz8 n SER 52 Cb 0.26 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.26 0.45 3.60 5.00 0.00 0.02 -4.79 105.19 110.74 1tz8 n GLY 53 Ca 0.17 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.92 2.29 -0.20 1.61 2.02 -1.26 -0.60 118.70 121.64 1tz8 s GLU 54 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 1tz8 s GLU 54 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.90 1tz8 s GLU 54 CO 0.00 0.53 0.00 -1.17 0.02 0.00 0.00 175.26 174.64 1tz8 s LEU 55 N -2.08 1.61 0.37 1.80 2.96 0.46 -0.96 118.68 122.84 1tz8 s LEU 55 Ca 0.22 -0.90 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1tz8 s LEU 55 Cb -0.11 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 1tz8 s LEU 55 CO 0.14 -0.28 0.15 -1.00 -1.32 0.00 0.00 176.35 174.04 1tz8 s HIS 56 N 1.71 2.64 -0.72 5.38 3.76 -1.26 -1.91 115.29 124.89 1tz8 s HIS 56 Ca -0.02 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1tz8 s HIS 56 Cb -0.17 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1tz8 s HIS 56 CO -0.07 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 1tz8 n GLY 57 N -1.17 0.59 0.25 -2.22 0.00 -1.26 -4.91 105.19 96.47 1tz8 n GLY 57 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.44 -8.07 0.99 3.38 -1.87 -3.48 115.31 106.71 1tz8 h LEU 58 Ca -0.16 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1tz8 h LEU 58 Cb 0.75 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1tz8 h LEU 58 CO 0.21 0.61 0.16 0.28 0.09 0.00 0.00 178.44 179.79 1tz8 s THR 59 N -4.71 0.00 0.25 0.22 -1.32 -1.26 -4.74 115.64 104.08 1tz8 s THR 59 Ca -0.07 -1.10 0.10 0.00 -1.21 0.00 0.00 61.69 59.42 1tz8 s THR 59 Cb 0.15 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 1tz8 s THR 59 CO 0.77 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 173.51 1tz8 s THR 60 N -3.52 3.08 0.19 5.08 -4.23 -1.26 -4.44 115.64 110.53 1tz8 s THR 60 Ca 0.15 -2.01 0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1tz8 s THR 60 Cb -0.05 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.44 1tz8 s THR 60 CO 0.09 -0.32 1.75 1.05 -0.54 0.00 0.00 174.62 176.65 1tz8 h GLU 61 N 2.25 0.00 0.00 3.99 9.09 -1.98 -1.76 114.58 126.17 1tz8 h GLU 61 Ca -0.44 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.71 1tz8 h GLU 61 Cb 1.24 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.29 1tz8 h GLU 61 CO 0.58 0.00 -1.96 0.39 0.05 0.00 0.00 179.01 178.08 1tz8 n GLU 62 N -2.48 0.66 0.13 1.06 4.71 -1.26 -3.96 120.64 119.50 1tz8 n GLU 62 Ca -0.02 0.10 0.12 0.00 -0.01 0.00 0.00 57.16 57.35 1tz8 n GLU 62 Cb 0.19 -1.65 0.11 0.00 -1.01 0.00 0.00 31.44 29.08 1tz8 n GLU 62 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1tz8 h GLU 63 N 0.00 0.00 -3.47 3.49 5.08 -1.83 -3.41 114.58 114.45 1tz8 h GLU 63 Ca -0.34 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.24 1tz8 h GLU 63 Cb 1.91 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.95 1tz8 h GLU 63 CO 0.04 0.00 1.34 0.34 -1.00 0.00 0.00 179.01 179.74 1tz8 n PHE 64 N -2.67 3.22 -2.32 4.33 7.35 -0.71 -4.96 117.46 121.70 1tz8 n PHE 64 Ca 0.02 -2.91 -0.25 0.00 -0.76 0.00 0.00 57.45 53.55 1tz8 n PHE 64 Cb 0.51 -1.71 0.05 0.00 0.35 0.00 0.00 39.48 38.68 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 -0.74 2.69 0.35 -2.13 -7.23 -1.26 -4.93 120.40 107.16 1tz8 s VAL 65 Ca 0.36 -0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 1tz8 s VAL 65 Cb 0.04 -3.12 -0.13 0.00 0.56 0.00 0.00 36.38 33.73 1tz8 s VAL 65 CO 0.03 -0.12 0.80 1.21 -0.31 0.00 0.00 175.10 176.71 1tz8 n GLU 66 N -2.74 0.95 0.00 4.82 0.00 -1.26 -4.82 120.64 117.58 1tz8 n GLU 66 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1tz8 n GLU 66 Cb 0.60 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.35 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 1.48 -0.73 3.57 8.31 0.00 -1.11 -5.00 105.19 111.70 1tz8 n GLY 67 Ca 0.11 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 4.93 0.02 -0.61 1.01 -1.26 -1.09 121.20 122.19 1tz8 s ILE 68 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1tz8 s ILE 68 Cb 0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1tz8 s ILE 68 CO 0.00 0.33 -0.10 -0.31 0.00 0.00 0.00 174.94 174.87 1tz8 s TYR 69 N 1.33 2.80 -0.15 3.97 1.51 -0.04 0.06 117.35 126.82 1tz8 s TYR 69 Ca 0.06 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1tz8 s TYR 69 Cb -0.15 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1tz8 s TYR 69 CO 0.06 0.35 -0.16 0.21 -1.11 0.00 0.00 175.55 174.89 1tz8 s LYS 70 N -1.48 3.20 -0.27 -0.62 2.20 0.49 -1.78 119.74 121.46 1tz8 s LYS 70 Ca 0.17 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1tz8 s LYS 70 Cb -0.11 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 1tz8 s LYS 70 CO 0.08 0.01 0.07 0.08 -0.36 0.00 0.00 175.35 175.23 1tz8 s VAL 71 N 0.82 4.09 -0.18 4.02 1.01 0.22 -0.05 120.40 130.34 1tz8 s VAL 71 Ca -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1tz8 s VAL 71 Cb -0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1tz8 s VAL 71 CO -0.00 0.20 -0.04 -1.61 0.00 0.00 0.00 175.10 173.64 1tz8 s GLU 72 N 1.55 3.54 -0.19 2.72 2.02 0.81 -0.62 118.70 128.52 1tz8 s GLU 72 Ca 0.04 -0.57 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 1tz8 s GLU 72 Cb -0.16 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 1tz8 s GLU 72 CO 0.03 0.06 -0.06 0.42 0.02 0.00 0.00 175.26 175.73 1tz8 s ILE 73 N 0.83 3.38 -1.39 -1.63 1.01 -0.04 -0.55 121.20 122.82 1tz8 s ILE 73 Ca -0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1tz8 s ILE 73 Cb -0.15 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.85 1tz8 s ILE 73 CO 0.02 0.45 2.08 -0.67 0.00 0.00 0.00 174.94 176.82 1tz8 n ASP 74 N 4.39 4.09 0.10 3.58 2.03 0.21 -1.48 116.55 129.48 1tz8 n ASP 74 Ca -0.18 -2.85 -0.01 0.00 0.52 0.00 0.00 54.79 52.27 1tz8 n ASP 74 Cb 0.51 -1.66 0.27 0.00 -0.72 0.00 0.00 41.12 39.52 1tz8 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tz8 h THR 75 N 4.46 1.28 0.09 5.18 1.35 -1.87 -3.17 112.91 120.24 1tz8 h THR 75 Ca 0.53 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1tz8 h THR 75 Cb 0.71 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1tz8 h THR 75 CO 1.77 0.40 -0.05 0.50 -0.25 0.00 0.00 175.52 177.89 1tz8 h LYS 76 N 0.19 -0.13 -0.75 4.72 3.64 -1.75 -1.92 116.57 120.58 1tz8 h LYS 76 Ca 0.02 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1tz8 h LYS 76 Cb 0.71 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1tz8 h LYS 76 CO 0.05 -0.09 0.46 0.77 -2.27 0.00 0.00 179.45 178.38 1tz8 h SER 77 N -0.13 0.74 0.06 4.20 0.02 -1.87 -1.38 113.55 115.18 1tz8 h SER 77 Ca -0.01 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1tz8 h SER 77 Cb 0.11 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1tz8 h SER 77 CO 0.02 0.50 -0.28 0.22 -1.14 0.00 0.00 176.83 176.14 1tz8 h TYR 78 N 0.88 -0.76 -0.51 3.45 3.20 -1.44 -2.41 116.97 119.37 1tz8 h TYR 78 Ca 0.31 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1tz8 h TYR 78 Cb 0.08 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1tz8 h TYR 78 CO -0.04 -0.38 0.15 -1.49 -1.64 0.00 0.00 178.16 174.75 1tz8 h TRP 79 N -0.46 0.83 -0.60 -3.82 4.06 -1.16 -3.19 115.95 111.60 1tz8 h TRP 79 Ca 0.05 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1tz8 h TRP 79 Cb 0.52 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 1tz8 h TRP 79 CO -0.29 0.72 0.22 0.87 -3.56 0.00 0.00 178.44 176.41 1tz8 h LYS 80 N 0.69 0.88 -0.06 0.49 1.57 -1.03 0.14 116.57 119.26 1tz8 h LYS 80 Ca 0.16 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1tz8 h LYS 80 Cb 0.29 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1tz8 h LYS 80 CO -0.00 0.73 0.06 0.00 -0.57 0.00 0.00 179.45 179.67 1tz8 h ALA 81 N 1.38 1.73 -0.20 3.86 0.00 -1.42 0.15 119.26 124.76 1tz8 h ALA 81 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1tz8 h ALA 81 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1tz8 h ALA 81 CO -0.02 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1tz8 n LEU 82 N -4.01 1.91 0.00 0.00 4.77 -0.06 -4.90 117.00 114.72 1tz8 n LEU 82 Ca -0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1tz8 n LEU 82 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1tz8 n LEU 82 CO 0.29 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1tz8 n GLY 83 N 1.18 0.60 3.47 -0.72 0.00 0.04 -5.05 105.19 104.71 1tz8 n GLY 83 Ca 0.16 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 3.47 -0.56 -0.61 1.01 -0.64 -4.99 121.20 116.87 1tz8 s ILE 84 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1tz8 s ILE 84 Cb 0.00 -2.46 0.11 0.00 0.01 0.00 0.00 42.46 40.12 1tz8 s ILE 84 CO 0.00 0.54 0.60 -0.55 0.00 0.00 0.00 174.94 175.53 1tz8 s SER 85 N -0.05 6.19 0.70 3.58 0.15 -1.26 -2.68 113.70 120.33 1tz8 s SER 85 Ca -0.01 -1.56 -0.05 0.00 0.70 0.00 0.00 55.95 55.03 1tz8 s SER 85 Cb -0.14 -2.26 0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1tz8 s SER 85 CO 0.03 -0.98 0.99 -2.16 1.20 0.00 0.00 173.24 172.33 1tz8 s PRO 86 N 2.18 2.07 -0.09 5.44 0.04 -1.26 -5.02 135.00 138.35 1tz8 s PRO 86 Ca 0.08 -0.47 -0.24 0.00 0.04 0.00 0.00 61.00 60.41 1tz8 s PRO 86 Cb -0.26 -2.22 -0.20 0.00 0.04 0.00 0.00 34.50 31.86 1tz8 s PRO 86 CO 0.05 -1.27 0.81 0.35 0.04 0.00 0.00 177.00 176.98 1tz8 h PHE 87 N -0.56 -0.05 -3.69 0.56 3.57 -1.40 -3.47 116.94 111.91 1tz8 h PHE 87 Ca -0.43 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.57 1tz8 h PHE 87 Cb 1.30 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1tz8 h PHE 87 CO 0.16 0.62 0.10 -1.01 -2.23 0.00 0.00 178.31 175.94 1tz8 s HIS 88 N -2.82 3.44 0.17 0.41 3.76 -1.26 -4.98 115.29 114.01 1tz8 s HIS 88 Ca -0.15 1.26 -0.07 0.00 -0.15 0.00 0.00 55.06 55.94 1tz8 s HIS 88 Cb -0.01 -2.55 0.04 0.00 1.11 0.00 0.00 32.58 31.17 1tz8 s HIS 88 CO 0.56 0.15 1.50 0.93 -0.85 0.00 0.00 174.74 177.04 1tz8 h GLU 89 N 2.54 0.79 -2.38 1.40 4.39 -1.98 -3.38 114.58 115.97 1tz8 h GLU 89 Ca -0.48 -0.43 0.20 0.00 0.34 0.00 0.00 59.36 58.99 1tz8 h GLU 89 Cb 1.18 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1tz8 h GLU 89 CO 0.65 1.06 0.63 -3.38 -1.16 0.00 0.00 179.01 176.81 1tz8 s HIS 90 N -4.28 0.03 -0.08 4.33 -3.43 -1.26 -3.88 115.29 106.72 1tz8 s HIS 90 Ca -0.10 -0.36 0.01 0.00 -0.80 0.00 0.00 55.06 53.81 1tz8 s HIS 90 Cb 0.11 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 31.90 1tz8 s HIS 90 CO 0.86 -0.79 -0.09 0.00 -2.00 0.00 0.00 174.74 172.72 1tz8 s ALA 91 N -2.32 2.85 0.00 -1.38 0.00 -0.55 -4.90 121.76 115.47 1tz8 s ALA 91 Ca 0.21 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1tz8 s ALA 91 Cb -0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1tz8 s ALA 91 CO 0.04 0.49 -0.23 -1.21 0.00 0.00 0.00 175.76 174.84 1tz8 s GLU 92 N -0.51 1.74 -0.20 0.00 8.01 -1.26 -0.86 118.70 125.62 1tz8 s GLU 92 Ca 0.07 -0.88 -0.01 0.00 0.01 0.00 0.00 54.97 54.16 1tz8 s GLU 92 Cb -0.12 -1.75 0.05 0.00 -4.31 0.00 0.00 34.13 28.01 1tz8 s GLU 92 CO 0.02 0.47 -0.02 0.08 0.01 0.00 0.00 175.26 175.82 1tz8 s VAL 93 N -0.63 1.04 -0.18 2.63 1.01 0.21 -4.98 120.40 119.51 1tz8 s VAL 93 Ca 0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1tz8 s VAL 93 Cb -0.09 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1tz8 s VAL 93 CO 0.00 -0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.25 1tz8 s VAL 94 N 1.63 3.15 0.07 2.92 1.01 -1.26 -0.61 120.40 127.30 1tz8 s VAL 94 Ca -0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1tz8 s VAL 94 Cb -0.17 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1tz8 s VAL 94 CO -0.07 0.48 0.35 0.72 0.00 0.00 0.00 175.10 176.57 1tz8 s PHE 95 N 0.97 -0.15 -0.06 5.22 -0.71 -0.73 -5.00 117.98 117.51 1tz8 s PHE 95 Ca -0.01 -0.03 -0.24 0.00 -1.04 0.00 0.00 56.93 55.61 1tz8 s PHE 95 Cb -0.15 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1tz8 s PHE 95 CO -0.01 -0.58 0.72 0.99 -1.34 0.00 0.00 175.22 175.01 1tz8 s THR 96 N -2.96 5.02 0.17 -4.49 2.01 -1.26 -0.86 115.64 113.27 1tz8 s THR 96 Ca -0.02 1.49 0.11 0.00 0.31 0.00 0.00 61.69 63.58 1tz8 s THR 96 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1tz8 s THR 96 CO -0.06 0.25 -0.22 0.00 -0.69 0.00 0.00 174.62 173.90 1tz8 s ALA 97 N 0.78 2.57 0.00 7.40 0.00 -0.25 -4.75 121.76 127.50 1tz8 s ALA 97 Ca 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1tz8 s ALA 97 Cb -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1tz8 s ALA 97 CO 0.19 0.48 0.00 0.09 0.00 0.00 0.00 175.76 176.52 1tz8 n ASN 98 N 0.46 -4.24 0.16 0.00 3.02 -1.26 -2.75 115.26 110.64 1tz8 n ASN 98 Ca -0.14 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.59 1tz8 n ASN 98 Cb 0.55 -2.90 0.79 0.00 -0.61 0.00 0.00 39.78 37.61 1tz8 n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1tz8 h ASP 99 N 0.00 0.00 -0.48 6.41 2.03 -1.90 0.12 116.42 122.60 1tz8 h ASP 99 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1tz8 h ASP 99 Cb 0.71 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.10 1tz8 h ASP 99 CO 0.00 0.00 0.10 -1.20 -1.03 0.00 0.00 179.24 177.11 1tz8 n SER 100 N -3.80 3.45 0.00 4.15 7.64 -1.26 -5.06 113.62 118.74 1tz8 n SER 100 Ca 0.04 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.47 1tz8 n SER 100 Cb 0.43 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.79 1.64 3.60 0.23 0.00 0.42 -4.99 105.19 105.31 1tz8 n GLY 101 Ca 0.35 -1.92 -0.51 0.00 0.00 0.00 0.00 46.02 43.94 1tz8 n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tz8 n PRO 102 N 1.80 1.34 -4.20 1.61 -0.02 -1.26 -4.32 135.00 129.95 1tz8 n PRO 102 Ca 0.00 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1tz8 n PRO 102 Cb 0.00 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1tz8 n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1tz8 s ARG 103 N 0.52 1.04 -0.16 -0.52 1.81 -1.26 -4.86 118.95 115.51 1tz8 s ARG 103 Ca 0.83 -1.50 -0.07 0.00 -1.72 0.00 0.00 55.73 53.27 1tz8 s ARG 103 Cb -0.90 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 33.54 1tz8 s ARG 103 CO 0.45 -0.20 0.06 1.03 -0.68 0.00 0.00 175.30 175.96 1tz8 s ARG 104 N -3.99 3.81 -0.08 3.54 0.52 -0.07 -4.84 118.95 117.85 1tz8 s ARG 104 Ca 0.25 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.17 1tz8 s ARG 104 Cb 0.07 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1tz8 s ARG 104 CO 0.03 0.38 -0.21 0.71 0.02 0.00 0.00 175.30 176.23 1tz8 s TYR 105 N 0.07 2.56 -0.17 -0.53 1.51 0.29 -1.20 117.35 119.87 1tz8 s TYR 105 Ca 0.05 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1tz8 s TYR 105 Cb -0.12 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1tz8 s TYR 105 CO 0.01 -0.19 -0.16 0.99 -1.11 0.00 0.00 175.55 175.08 1tz8 s THR 106 N -0.07 1.84 -0.28 -0.71 2.01 -0.34 -1.32 115.64 116.76 1tz8 s THR 106 Ca -0.05 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 1tz8 s THR 106 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1tz8 s THR 106 CO 0.04 0.45 0.14 -0.63 -0.69 0.00 0.00 174.62 173.93 1tz8 s ILE 107 N 1.37 4.79 -0.08 1.82 -1.09 0.06 -0.88 121.20 127.18 1tz8 s ILE 107 Ca 0.04 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1tz8 s ILE 107 Cb -0.14 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1tz8 s ILE 107 CO -0.11 0.22 -0.08 0.00 -1.23 0.00 0.00 174.94 173.74 1tz8 s ALA 108 N 1.67 2.93 -0.07 9.38 0.00 -0.41 -1.04 121.76 134.23 1tz8 s ALA 108 Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1tz8 s ALA 108 Cb -0.16 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1tz8 s ALA 108 CO 0.07 0.51 -0.10 0.00 0.00 0.00 0.00 175.76 176.25 1tz8 s ALA 109 N -0.61 1.15 -0.21 0.00 0.00 -0.22 -1.36 121.76 120.51 1tz8 s ALA 109 Ca 0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1tz8 s ALA 109 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1tz8 s ALA 109 CO 0.02 0.01 0.03 -1.17 0.00 0.00 0.00 175.76 174.65 1tz8 s LEU 110 N 0.86 3.38 -0.09 0.00 2.96 0.12 -0.92 118.68 125.00 1tz8 s LEU 110 Ca -0.11 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1tz8 s LEU 110 Cb -0.15 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1tz8 s LEU 110 CO 0.01 0.05 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.26 1tz8 s LEU 111 N 1.11 3.10 0.12 -0.68 1.43 0.55 -2.02 118.68 122.29 1tz8 s LEU 111 Ca 0.03 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1tz8 s LEU 111 Cb -0.14 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1tz8 s LEU 111 CO 0.02 0.31 -0.06 -0.44 0.23 0.00 0.00 176.35 176.42 1tz8 s SER 112 N -0.51 1.29 0.30 2.29 0.01 -0.09 -1.24 113.70 115.75 1tz8 s SER 112 Ca 0.08 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.35 1tz8 s SER 112 Cb -0.12 0.08 0.76 0.00 0.21 0.00 0.00 66.02 66.95 1tz8 s SER 112 CO 0.02 -0.46 1.77 -0.65 0.41 0.00 0.00 173.24 174.33 1tz8 h PRO 113 N 2.87 0.71 -0.20 12.44 0.11 -1.99 -2.83 132.00 143.11 1tz8 h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1tz8 h PRO 113 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1tz8 h PRO 113 CO 0.64 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.56 1tz8 n TYR 114 N -4.79 0.51 -3.69 0.65 4.02 -1.26 -0.96 117.16 111.64 1tz8 n TYR 114 Ca 0.24 -0.74 -0.15 0.00 -0.01 0.00 0.00 57.90 57.25 1tz8 n TYR 114 Cb 0.60 -0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.70 -0.38 0.01 7.72 0.15 -1.07 -4.95 113.70 113.48 1tz8 s SER 115 Ca 0.29 0.45 -0.04 0.00 0.70 0.00 0.00 55.95 57.35 1tz8 s SER 115 Cb 0.22 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1tz8 s SER 115 CO 0.09 -0.42 0.06 -0.72 1.20 0.00 0.00 173.24 173.45 1tz8 s TYR 116 N -0.93 0.13 -0.02 3.44 -0.85 -1.26 -0.91 117.35 116.94 1tz8 s TYR 116 Ca -0.10 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 1tz8 s TYR 116 Cb -0.03 -0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.20 1tz8 s TYR 116 CO 0.05 -0.23 -0.12 -1.12 -1.52 0.00 0.00 175.55 172.61 1tz8 s SER 117 N -1.33 1.49 0.03 -0.18 0.01 -0.86 -4.99 113.70 107.87 1tz8 s SER 117 Ca -0.14 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1tz8 s SER 117 Cb -0.08 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 1tz8 s SER 117 CO 0.00 0.11 -0.07 0.28 0.41 0.00 0.00 173.24 173.97 1tz8 s THR 118 N 0.02 0.49 0.12 1.44 -1.32 -1.26 -0.70 115.64 114.43 1tz8 s THR 118 Ca -0.01 -0.86 -0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1tz8 s THR 118 Cb -0.08 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1tz8 s THR 118 CO 0.01 -0.26 0.06 0.28 -2.21 0.00 0.00 174.62 172.50 1tz8 s THR 119 N -1.06 0.12 -0.03 5.08 -1.32 -0.46 -5.00 115.64 112.97 1tz8 s THR 119 Ca -0.07 -1.82 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 1tz8 s THR 119 Cb -0.08 -1.90 -0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1tz8 s THR 119 CO 0.00 -0.56 -0.17 0.00 -2.21 0.00 0.00 174.62 171.69 1tz8 s ALA 120 N -4.01 1.45 -0.19 11.08 0.00 -1.26 -1.29 121.76 127.54 1tz8 s ALA 120 Ca 0.20 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1tz8 s ALA 120 Cb 0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1tz8 s ALA 120 CO -0.01 0.29 -0.04 0.08 0.00 0.00 0.00 175.76 176.08 1tz8 s VAL 121 N -0.09 3.58 -0.16 0.00 1.01 -0.06 -4.98 120.40 119.70 1tz8 s VAL 121 Ca -0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1tz8 s VAL 121 Cb -0.10 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1tz8 s VAL 121 CO 0.01 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 1tz8 s VAL 122 N 1.04 2.80 0.16 2.92 1.01 -1.26 -1.20 120.40 125.87 1tz8 s VAL 122 Ca 0.01 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1tz8 s VAL 122 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1tz8 s VAL 122 CO 0.00 0.50 -0.19 0.42 0.00 0.00 0.00 175.10 175.84 1tz8 s THR 123 N 0.87 1.88 -2.28 3.92 -4.23 -0.34 -4.98 115.64 110.48 1tz8 s THR 123 Ca -0.04 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1tz8 s THR 123 Cb -0.15 -1.85 0.14 0.00 1.34 0.00 0.00 72.50 71.98 1tz8 s THR 123 CO -0.01 -0.26 1.08 -3.20 -0.54 0.00 0.00 174.62 171.69