#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1txy s ASN 3 N 0.00 -0.03 -0.08 8.00 3.84 -1.26 -5.13 114.94 120.28 1txy s ASN 3 Ca 0.00 -1.00 -0.03 0.00 0.21 0.00 0.00 52.86 52.04 1txy s ASN 3 Cb 0.00 1.21 0.04 0.00 -0.55 0.00 0.00 41.25 41.95 1txy s ASN 3 CO 0.00 -0.25 0.11 -0.60 -2.79 0.00 0.00 177.10 173.57 1txy s ARG 4 N 1.85 -0.01 -0.13 0.43 3.52 -1.26 -4.23 118.95 119.12 1txy s ARG 4 Ca 0.15 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 56.13 1txy s ARG 4 Cb -0.11 -0.64 -0.01 0.00 -1.56 0.00 0.00 34.95 32.63 1txy s ARG 4 CO -0.11 -0.38 -0.15 -1.17 -0.81 0.00 0.00 175.30 172.67 1txy s LEU 5 N 2.22 2.55 -0.22 -0.88 2.96 0.50 -4.98 118.68 120.82 1txy s LEU 5 Ca 0.04 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1txy s LEU 5 Cb -0.13 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.01 1txy s LEU 5 CO -0.05 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 1txy s VAL 6 N 0.48 2.93 -0.04 1.68 1.01 -1.26 -1.65 120.40 123.54 1txy s VAL 6 Ca -0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1txy s VAL 6 Cb -0.16 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1txy s VAL 6 CO 0.05 0.37 -0.00 -0.22 0.00 0.00 0.00 175.10 175.30 1txy s LEU 7 N 1.39 0.95 -0.01 3.92 2.96 0.28 -4.98 118.68 123.20 1txy s LEU 7 Ca 0.04 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1txy s LEU 7 Cb -0.15 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 1txy s LEU 7 CO -0.06 -0.13 0.18 -0.44 -1.32 0.00 0.00 176.35 174.58 1txy s SER 8 N 1.35 6.35 0.00 3.68 0.01 -1.26 -0.49 113.70 123.35 1txy s SER 8 Ca -0.05 0.34 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 1txy s SER 8 Cb -0.13 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1txy s SER 8 CO -0.02 0.26 0.29 0.61 0.41 0.00 0.00 173.24 174.79 1txy n GLY 9 N 0.91 0.65 3.54 3.44 0.00 0.07 -4.61 105.19 109.18 1txy n GLY 9 Ca -0.11 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1txy n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1txy s THR 10 N -2.18 3.56 -0.13 2.61 -1.32 -0.06 -1.21 115.64 116.91 1txy s THR 10 Ca 0.07 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 1txy s THR 10 Cb -0.00 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1txy s THR 10 CO 0.00 0.58 1.60 -0.69 -2.21 0.00 0.00 174.62 173.90 1txy s VAL 11 N -0.59 3.70 -0.24 5.08 1.01 -0.53 0.02 120.40 128.85 1txy s VAL 11 Ca 0.09 0.83 0.19 0.00 0.00 0.00 0.00 61.98 63.09 1txy s VAL 11 Cb -0.12 -3.61 -0.28 0.00 0.00 0.00 0.00 36.38 32.38 1txy s VAL 11 CO 0.02 -0.16 0.52 0.00 0.00 0.00 0.00 175.10 175.48 1txy s ARG 13 N -3.20 1.78 0.30 0.00 6.06 -1.18 -4.95 118.95 117.76 1txy s ARG 13 Ca -0.03 -0.47 -0.28 0.00 -2.50 0.00 0.00 55.73 52.44 1txy s ARG 13 Cb 0.13 -1.93 -0.14 0.00 0.06 0.00 0.00 34.95 33.07 1txy s ARG 13 CO 0.79 -0.32 1.06 0.00 -2.50 0.00 0.00 175.30 174.34 1txy n ALA 14 N 4.85 0.08 -1.90 6.12 0.00 -1.26 -3.30 120.51 125.10 1txy n ALA 14 Ca -0.14 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1txy n ALA 14 Cb 0.49 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1txy n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1txy s PRO 15 N -1.63 4.18 -0.23 0.00 0.04 -1.26 -4.73 135.00 131.38 1txy s PRO 15 Ca 0.58 2.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.93 1txy s PRO 15 Cb -0.67 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.13 1txy s PRO 15 CO 0.60 -0.79 0.00 -0.48 0.04 0.00 0.00 177.00 176.38 1txy s LEU 16 N 3.08 3.13 -0.75 -3.56 0.05 -0.23 -4.93 118.68 115.47 1txy s LEU 16 Ca 0.76 -0.30 -0.25 0.00 0.05 0.00 0.00 54.13 54.38 1txy s LEU 16 Cb -0.39 -1.81 0.04 0.00 -2.05 0.00 0.00 46.19 41.98 1txy s LEU 16 CO 0.33 -0.01 1.22 -0.13 -0.55 0.00 0.00 176.35 177.21 1txy s ARG 17 N 1.45 3.22 0.00 1.48 0.52 -1.26 -1.60 118.95 122.75 1txy s ARG 17 Ca 0.05 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1txy s ARG 17 Cb -0.15 -4.32 0.00 0.00 0.52 0.00 0.00 34.95 31.00 1txy s ARG 17 CO -0.00 -2.08 0.00 1.63 0.02 0.00 0.00 175.30 174.87 1txy n LYS 18 N 8.90 0.00 -3.17 3.54 4.76 -1.26 -4.96 118.16 125.98 1txy n LYS 18 Ca 0.05 0.11 -0.44 0.00 -2.87 0.00 0.00 58.31 55.16 1txy n LYS 18 Cb 0.48 -0.54 -0.06 0.00 -1.84 0.00 0.00 35.03 33.08 1txy n LYS 18 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1txy s PRO 25 N -0.28 3.08 -0.06 1.97 0.02 -1.26 -4.65 135.00 133.81 1txy s PRO 25 Ca 0.00 -1.10 -0.22 0.00 0.02 0.00 0.00 61.00 59.69 1txy s PRO 25 Cb 0.00 -4.16 0.05 0.00 0.02 0.00 0.00 34.50 30.41 1txy s PRO 25 CO 0.00 -1.31 0.51 -3.38 -0.33 0.00 0.00 177.00 172.49 1txy s HIS 26 N 2.52 -0.45 -0.08 6.54 -3.43 -1.26 -4.15 115.29 114.97 1txy s HIS 26 Ca 0.12 0.83 -0.10 0.00 -0.80 0.00 0.00 55.06 55.11 1txy s HIS 26 Cb -0.22 0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 31.14 1txy s HIS 26 CO 0.09 -0.47 0.24 0.00 -2.00 0.00 0.00 174.74 172.60 1txy s GLN 28 N -0.93 1.24 0.38 0.00 0.74 -0.63 -1.03 119.66 119.43 1txy s GLN 28 Ca 0.18 -0.54 -0.13 0.00 0.05 0.00 0.00 55.36 54.91 1txy s GLN 28 Cb -0.14 -1.20 0.05 0.00 1.10 0.00 0.00 33.01 32.82 1txy s GLN 28 CO 0.07 0.32 0.73 -0.59 -0.55 0.00 0.00 175.29 175.27 1txy s PHE 29 N -0.34 0.30 -0.06 1.67 -0.12 -0.96 -1.06 117.98 117.41 1txy s PHE 29 Ca 0.05 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 56.09 1txy s PHE 29 Cb -0.06 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1txy s PHE 29 CO -0.01 -1.49 -0.24 0.08 -0.05 0.00 0.00 175.22 173.51 1txy s VAL 30 N -2.44 2.18 -0.22 -2.49 1.01 -1.21 -0.69 120.40 116.54 1txy s VAL 30 Ca 0.18 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1txy s VAL 30 Cb -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1txy s VAL 30 CO 0.13 0.57 0.04 -0.22 0.00 0.00 0.00 175.10 175.62 1txy s LEU 31 N -0.18 3.40 -0.29 3.92 2.96 -1.26 -1.26 118.68 125.97 1txy s LEU 31 Ca -0.03 -0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 1txy s LEU 31 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1txy s LEU 31 CO 0.04 0.03 0.40 -0.70 -1.32 0.00 0.00 176.35 174.80 1txy s GLU 32 N 1.21 3.93 -0.11 1.98 2.56 0.10 -4.23 118.70 124.15 1txy s GLU 32 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.97 54.99 1txy s GLU 32 Cb -0.14 -3.69 -0.03 0.00 2.00 0.00 0.00 34.13 32.27 1txy s GLU 32 CO 0.02 -0.35 -0.05 -1.58 -0.56 0.00 0.00 175.26 172.74 1txy s HIS 33 N 2.12 2.98 -0.09 5.30 5.65 0.33 -0.88 115.29 130.71 1txy s HIS 33 Ca 0.16 -0.13 -0.04 0.00 0.25 0.00 0.00 55.06 55.29 1txy s HIS 33 Cb -0.16 -1.82 0.05 0.00 -1.18 0.00 0.00 32.58 29.46 1txy s HIS 33 CO 0.10 0.16 0.19 0.50 -0.65 0.00 0.00 174.74 175.05 1txy s ARG 34 N -0.28 0.10 0.26 2.88 3.52 -1.26 -1.99 118.95 122.19 1txy s ARG 34 Ca 0.04 0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 56.05 1txy s ARG 34 Cb -0.13 -0.17 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 1txy s ARG 34 CO 0.02 -0.23 0.49 -1.54 -0.81 0.00 0.00 175.30 173.24 1txy s SER 35 N 1.75 -0.01 -0.15 -2.12 1.04 -0.57 -5.00 113.70 108.65 1txy s SER 35 Ca -0.04 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 1txy s SER 35 Cb -0.12 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1txy s SER 35 CO -0.07 -1.18 -0.05 -0.69 0.98 0.00 0.00 173.24 172.23 1txy s VAL 36 N -3.87 3.75 0.18 5.02 1.01 -1.26 -0.45 120.40 124.78 1txy s VAL 36 Ca 0.23 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1txy s VAL 36 Cb -0.01 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1txy s VAL 36 CO 0.10 0.50 -0.20 -1.10 0.00 0.00 0.00 175.10 174.40 1txy s GLN 37 N 0.36 1.37 -0.12 2.72 -1.52 0.34 -4.94 119.66 117.87 1txy s GLN 37 Ca -0.05 -1.47 -0.12 0.00 -1.95 0.00 0.00 55.36 51.77 1txy s GLN 37 Cb -0.14 -1.50 -0.05 0.00 -0.22 0.00 0.00 33.01 31.10 1txy s GLN 37 CO 0.03 0.31 0.26 -2.00 -0.25 0.00 0.00 175.29 173.65 1txy s GLU 38 N -2.83 3.99 -0.28 2.91 2.12 -1.26 0.39 118.70 123.74 1txy s GLU 38 Ca 0.18 0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.48 1txy s GLU 38 Cb -0.06 -3.33 0.11 0.00 0.26 0.00 0.00 34.13 31.11 1txy s GLU 38 CO 0.08 0.47 0.63 -2.00 -0.54 0.00 0.00 175.26 173.90 1txy s GLU 39 N -0.22 0.58 -1.43 4.30 2.12 0.19 -4.93 118.70 119.31 1txy s GLU 39 Ca 0.17 1.33 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 1txy s GLU 39 Cb -0.13 0.60 0.02 0.00 0.26 0.00 0.00 34.13 34.88 1txy s GLU 39 CO 0.05 -0.19 0.50 0.00 -0.54 0.00 0.00 175.26 175.08 1txy n ALA 40 N 5.11 -1.90 -0.65 6.30 0.00 -1.26 -1.30 120.51 126.81 1txy n ALA 40 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1txy n ALA 40 Cb 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1txy n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1txy n GLY 41 N -1.88 1.05 3.24 0.00 0.00 -1.26 -5.00 105.19 101.34 1txy n GLY 41 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1txy n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1txy s PHE 42 N -3.39 1.21 -0.27 1.61 0.40 -0.42 -5.12 117.98 112.00 1txy s PHE 42 Ca 0.00 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.37 1txy s PHE 42 Cb 0.00 -0.65 -0.05 0.00 0.51 0.00 0.00 43.02 42.83 1txy s PHE 42 CO 0.00 -0.02 0.19 -1.01 0.70 0.00 0.00 175.22 175.07 1txy s HIS 43 N -3.45 3.25 -0.08 0.36 3.76 -1.26 0.54 115.29 118.41 1txy s HIS 43 Ca 0.18 0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.29 1txy s HIS 43 Cb 0.04 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1txy s HIS 43 CO 0.01 -0.09 -0.21 1.03 -0.85 0.00 0.00 174.74 174.63 1txy s ARG 44 N 1.56 2.51 0.51 1.40 1.81 0.16 -4.93 118.95 121.98 1txy s ARG 44 Ca 0.07 -0.75 -0.20 0.00 -1.72 0.00 0.00 55.73 53.13 1txy s ARG 44 Cb -0.15 -1.99 -0.07 0.00 -0.45 0.00 0.00 34.95 32.29 1txy s ARG 44 CO 0.09 0.19 1.10 -0.65 -0.68 0.00 0.00 175.30 175.35 1txy s GLN 45 N 0.29 3.57 -0.01 3.54 -0.21 -1.26 -0.50 119.66 125.07 1txy s GLN 45 Ca -0.14 1.54 0.04 0.00 0.02 0.00 0.00 55.36 56.82 1txy s GLN 45 Cb -0.16 -2.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 1txy s GLN 45 CO 0.06 -0.65 -0.12 0.00 -2.12 0.00 0.00 175.29 172.46 1txy s ALA 46 N -1.82 1.02 -0.04 6.09 0.00 0.40 -4.85 121.76 122.56 1txy s ALA 46 Ca 0.70 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1txy s ALA 46 Cb -0.22 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1txy s ALA 46 CO 0.25 0.24 0.16 -0.46 0.00 0.00 0.00 175.76 175.94 1txy s TRP 47 N -0.20 -0.09 -0.07 0.00 -0.00 -1.26 -1.51 118.94 115.80 1txy s TRP 47 Ca 0.03 0.22 -0.27 0.00 -0.00 0.00 0.00 56.10 56.08 1txy s TRP 47 Cb -0.06 0.02 0.06 0.00 -0.00 0.00 0.00 33.47 33.49 1txy s TRP 47 CO -0.00 -0.17 0.61 0.00 -0.00 0.00 0.00 176.95 177.39 1txy s GLN 49 N -1.01 2.15 -0.03 0.00 -0.21 -1.26 -0.51 119.66 118.78 1txy s GLN 49 Ca -0.10 -1.73 0.02 0.00 0.02 0.00 0.00 55.36 53.57 1txy s GLN 49 Cb -0.01 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.03 1txy s GLN 49 CO 0.08 0.10 -0.06 -2.14 -2.12 0.00 0.00 175.29 171.14 1txy s PRO 51 N -3.76 0.83 -0.03 2.91 0.02 -1.26 -4.88 135.00 128.82 1txy s PRO 51 Ca 0.36 -0.20 0.05 0.00 0.02 0.00 0.00 61.00 61.23 1txy s PRO 51 Cb 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 34.50 33.72 1txy s PRO 51 CO 0.20 0.02 -0.17 0.08 -0.33 0.00 0.00 177.00 176.80 1txy s VAL 52 N 0.48 1.41 -0.12 3.83 1.01 0.13 -0.88 120.40 126.26 1txy s VAL 52 Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1txy s VAL 52 Cb -0.10 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1txy s VAL 52 CO 0.00 0.40 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 1txy s ILE 53 N -0.16 1.79 -0.27 2.22 1.01 -0.22 -2.28 121.20 123.29 1txy s ILE 53 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1txy s ILE 53 Cb -0.09 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1txy s ILE 53 CO 0.01 0.50 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 1txy s VAL 54 N 0.78 2.50 -0.05 2.92 1.01 -0.20 -0.63 120.40 126.73 1txy s VAL 54 Ca -0.10 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.43 1txy s VAL 54 Cb -0.16 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1txy s VAL 54 CO 0.01 -0.04 -0.23 -0.94 0.00 0.00 0.00 175.10 173.89 1txy s SER 55 N 1.17 3.22 0.00 3.32 1.04 -1.26 -1.42 113.70 119.77 1txy s SER 55 Ca -0.07 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1txy s SER 55 Cb -0.20 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1txy s SER 55 CO -0.04 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1txy n GLY 56 N 2.78 3.35 0.32 7.32 0.00 -1.26 -4.94 105.19 112.75 1txy n GLY 56 Ca -0.17 -0.72 0.21 0.00 0.00 0.00 0.00 46.02 45.33 1txy n GLY 56 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1txy h HIS 57 N 0.00 0.00 -0.93 1.61 2.07 -1.95 -2.28 115.15 113.67 1txy h HIS 57 Ca 0.00 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1txy h HIS 57 Cb 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 29.92 1txy h HIS 57 CO 0.00 0.01 0.60 1.05 -3.07 0.00 0.00 177.93 176.52 1txy h GLU 58 N 0.00 1.12 -2.51 5.12 9.09 -2.01 -3.10 114.58 122.29 1txy h GLU 58 Ca -0.00 -0.07 -0.72 0.00 0.05 0.00 0.00 59.36 58.62 1txy h GLU 58 Cb 0.12 -0.25 -0.33 0.00 -1.65 0.00 0.00 28.75 26.63 1txy h GLU 58 CO 0.00 0.74 0.28 0.09 0.05 0.00 0.00 179.01 180.17 1txy n ASN 59 N -4.51 5.65 0.00 3.06 5.03 -0.86 -4.55 115.26 119.09 1txy n ASN 59 Ca 0.12 -3.51 0.00 0.00 0.87 0.00 0.00 54.58 52.06 1txy n ASN 59 Cb 0.11 -1.00 0.00 0.00 -1.02 0.00 0.00 39.78 37.87 1txy n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1txy n GLN 60 N 0.72 3.17 -0.05 3.52 1.13 -1.17 -4.42 117.38 120.27 1txy n GLN 60 Ca 0.32 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.24 1txy n GLN 60 Cb 0.35 -0.59 -0.12 0.00 0.11 0.00 0.00 30.24 29.98 1txy n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1txy h ALA 61 N 0.00 0.00 -0.83 -1.58 0.00 -1.81 -3.19 119.26 111.85 1txy h ALA 61 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1txy h ALA 61 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1txy h ALA 61 CO 0.00 -0.08 0.47 -0.84 0.00 0.00 0.00 179.25 178.81 1txy h ILE 62 N -0.84 1.24 -0.57 0.00 3.07 -1.89 -3.01 117.51 115.51 1txy h ILE 62 Ca -0.00 -0.57 0.06 0.00 1.55 0.00 0.00 64.86 65.90 1txy h ILE 62 Cb 0.85 0.11 -0.05 0.00 -0.27 0.00 0.00 36.82 37.45 1txy h ILE 62 CO 0.00 0.26 0.27 0.74 -1.05 0.00 0.00 178.15 178.38 1txy h THR 63 N 1.15 0.90 0.00 0.16 2.02 -1.77 -2.49 112.91 112.88 1txy h THR 63 Ca 0.29 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1txy h THR 63 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1txy h THR 63 CO -0.05 0.09 0.00 1.41 0.37 0.00 0.00 175.52 177.34 1txy n HIS 64 N -4.90 0.00 -0.06 3.16 8.25 -1.14 -2.53 115.22 118.00 1txy n HIS 64 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 1txy n HIS 64 Cb 0.19 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.00 1txy n HIS 64 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1txy h SER 65 N 0.00 0.13 -1.19 0.41 4.64 -1.46 -3.47 113.55 112.62 1txy h SER 65 Ca 0.00 -0.75 -0.73 0.00 -0.47 0.00 0.00 61.79 59.84 1txy h SER 65 Cb 0.17 -0.04 0.07 0.00 -0.31 0.00 0.00 62.40 62.28 1txy h SER 65 CO 0.00 1.42 -0.01 -0.38 -0.87 0.00 0.00 176.83 176.99 1txy n ILE 66 N -4.29 0.56 -4.16 0.95 5.41 -1.05 -4.99 119.36 111.79 1txy n ILE 66 Ca -0.24 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 1txy n ILE 66 Cb 0.71 -0.18 -0.10 0.00 -0.71 0.00 0.00 39.64 39.36 1txy n ILE 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1txy s THR 67 N -0.21 0.32 0.17 1.39 -1.32 -1.26 -4.59 115.64 110.15 1txy s THR 67 Ca 0.82 -1.91 -0.33 0.00 -1.21 0.00 0.00 61.69 59.06 1txy s THR 67 Cb -1.11 -1.90 -0.15 0.00 -1.51 0.00 0.00 72.50 67.83 1txy s THR 67 CO 0.55 -0.64 1.34 0.52 -2.21 0.00 0.00 174.62 174.19 1txy n VAL 68 N -0.07 0.56 0.00 5.08 0.31 -1.26 -0.81 118.33 122.13 1txy n VAL 68 Ca -0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1txy n VAL 68 Cb 0.63 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1txy n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1txy n GLY 69 N 2.41 2.91 3.75 2.92 0.00 0.01 -4.96 105.19 112.23 1txy n GLY 69 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1txy n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1txy s SER 70 N -1.22 6.71 -0.34 1.61 0.01 0.01 -4.71 113.70 115.78 1txy s SER 70 Ca 0.00 2.64 -0.16 0.00 1.31 0.00 0.00 55.95 59.73 1txy s SER 70 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1txy s SER 70 CO 0.00 -0.64 0.41 -0.13 0.41 0.00 0.00 173.24 173.29 1txy s ARG 71 N -0.67 3.63 0.20 12.44 1.81 -1.26 -1.45 118.95 133.64 1txy s ARG 71 Ca 0.56 -0.29 0.06 0.00 -1.72 0.00 0.00 55.73 54.34 1txy s ARG 71 Cb -0.41 -3.79 -0.05 0.00 -0.45 0.00 0.00 34.95 30.25 1txy s ARG 71 CO 0.45 -0.54 -0.09 0.96 -0.68 0.00 0.00 175.30 175.40 1txy s ILE 72 N 2.15 1.40 -0.15 1.52 -4.36 -0.35 -4.98 121.20 116.43 1txy s ILE 72 Ca 0.14 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 1txy s ILE 72 Cb -0.16 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1txy s ILE 72 CO 0.12 -0.54 -0.20 -0.89 0.24 0.00 0.00 174.94 173.67 1txy s THR 73 N -3.18 1.94 0.04 8.37 2.01 0.45 -0.75 115.64 124.52 1txy s THR 73 Ca 0.23 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1txy s THR 73 Cb 0.02 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1txy s THR 73 CO 0.06 0.52 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 1txy s VAL 74 N 1.10 2.90 -0.02 3.82 1.01 0.36 -0.56 120.40 129.01 1txy s VAL 74 Ca -0.01 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1txy s VAL 74 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1txy s VAL 74 CO -0.07 0.34 -0.07 -1.58 0.00 0.00 0.00 175.10 173.71 1txy s GLN 75 N -1.46 0.79 0.00 2.72 0.74 -0.05 -0.55 119.66 121.85 1txy s GLN 75 Ca 0.15 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.32 1txy s GLN 75 Cb -0.11 -0.76 0.00 0.00 1.10 0.00 0.00 33.01 33.24 1txy s GLN 75 CO 0.06 0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1txy n GLY 76 N 3.31 -0.60 3.62 2.59 0.00 -0.66 0.93 105.19 114.38 1txy n GLY 76 Ca -0.18 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1txy n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1txy s PHE 77 N -3.00 2.76 0.03 1.61 -0.12 -0.88 -0.37 117.98 118.01 1txy s PHE 77 Ca 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1txy s PHE 77 Cb 0.00 -1.36 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 1txy s PHE 77 CO 0.00 0.50 0.14 0.96 -0.05 0.00 0.00 175.22 176.77 1txy s ILE 78 N -1.64 5.03 0.02 -4.49 -4.36 -1.26 -0.13 121.20 114.37 1txy s ILE 78 Ca 0.26 -0.43 -0.05 0.00 -0.26 0.00 0.00 60.65 60.16 1txy s ILE 78 Cb -0.09 -3.39 -0.01 0.00 1.25 0.00 0.00 42.46 40.22 1txy s ILE 78 CO 0.17 0.23 0.08 -0.55 0.24 0.00 0.00 174.94 175.11 1txy s SER 79 N -2.16 0.14 -0.27 4.36 0.15 -0.41 -4.96 113.70 110.55 1txy s SER 79 Ca 0.29 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1txy s SER 79 Cb -0.12 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1txy s SER 79 CO 0.21 -0.41 -0.00 0.00 1.20 0.00 0.00 173.24 174.24 1txy h HIS 81 N 8.10 0.52 0.00 0.00 3.86 -2.06 -3.55 115.15 122.02 1txy h HIS 81 Ca -0.32 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.51 1txy h HIS 81 Cb 1.12 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1txy h HIS 81 CO 0.59 1.74 0.00 1.33 0.86 0.00 0.00 177.93 182.45 1txy n VAL 91 N -3.58 0.00 -3.40 2.45 0.24 0.27 -5.33 118.33 108.98 1txy n VAL 91 Ca -0.30 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 1txy n VAL 91 Cb 1.03 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 1txy n VAL 91 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1txy s LEU 92 N 0.00 4.73 -0.66 1.34 2.96 -0.06 -1.28 118.68 125.70 1txy s LEU 92 Ca 0.00 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.14 1txy s LEU 92 Cb 0.00 -2.30 0.06 0.00 0.50 0.00 0.00 46.19 44.45 1txy s LEU 92 CO 0.00 -0.44 1.00 -1.00 -1.32 0.00 0.00 176.35 174.60 1txy s HIS 93 N 1.97 2.64 0.14 5.38 3.76 0.82 -1.06 115.29 128.94 1txy s HIS 93 Ca 0.10 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.27 1txy s HIS 93 Cb -0.17 -4.31 -0.07 0.00 1.11 0.00 0.00 32.58 29.14 1txy s HIS 93 CO 0.12 -1.68 1.04 0.00 -0.85 0.00 0.00 174.74 173.37 1txy s ALA 94 N 4.26 3.31 -0.21 -1.40 0.00 0.19 -2.06 121.76 125.85 1txy s ALA 94 Ca 0.24 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.95 1txy s ALA 94 Cb -0.15 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 1txy s ALA 94 CO 0.12 -0.13 -0.13 -1.91 0.00 0.00 0.00 175.76 173.70 1txy n GLU 95 N 2.65 0.70 -4.16 0.00 2.13 0.26 -4.49 120.64 117.75 1txy n GLU 95 Ca 0.03 0.09 -0.16 0.00 0.66 0.00 0.00 57.16 57.78 1txy n GLU 95 Cb 0.48 -1.44 -0.12 0.00 0.27 0.00 0.00 31.44 30.62 1txy n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1txy s GLN 96 N -2.43 0.68 -0.24 5.31 -0.21 -0.65 -4.97 119.66 117.14 1txy s GLN 96 Ca -0.25 -0.77 -0.04 0.00 0.02 0.00 0.00 55.36 54.33 1txy s GLN 96 Cb 0.07 -0.58 0.13 0.00 1.00 0.00 0.00 33.01 33.63 1txy s GLN 96 CO 0.55 0.13 0.43 -1.50 -2.12 0.00 0.00 175.29 172.79 1txy s ILE 97 N -1.14 -0.69 -2.67 1.08 2.07 -1.26 -0.87 121.20 117.72 1txy s ILE 97 Ca -0.04 -0.00 0.21 0.00 -1.41 0.00 0.00 60.65 59.41 1txy s ILE 97 Cb -0.09 -0.82 0.17 0.00 0.13 0.00 0.00 42.46 41.85 1txy s ILE 97 CO 0.01 -0.05 1.18 -0.62 -1.91 0.00 0.00 174.94 173.54