#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk7 s SER 2 N 0.00 -0.41 0.24 1.61 0.15 -1.26 -5.16 113.70 108.87 1tk7 s SER 2 Ca 0.00 0.63 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 1tk7 s SER 2 Cb 0.00 1.27 -0.09 0.00 -1.71 0.00 0.00 66.02 65.49 1tk7 s SER 2 CO 0.00 -0.10 1.29 -2.84 1.20 0.00 0.00 173.24 172.79 1tk7 s PRO 3 N 1.59 4.41 0.13 5.44 0.02 -1.26 -4.69 135.00 140.65 1tk7 s PRO 3 Ca -0.07 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1tk7 s PRO 3 Cb -0.04 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1tk7 s PRO 3 CO -0.15 -0.19 0.00 0.39 -0.33 0.00 0.00 177.00 176.72 1tk7 n GLU 4 N 2.07 -4.01 -1.42 5.54 -0.58 -1.26 -4.89 120.64 116.09 1tk7 n GLU 4 Ca 0.04 2.99 -0.30 0.00 -0.42 0.00 0.00 57.16 59.47 1tk7 n GLU 4 Cb 0.43 -3.16 0.09 0.00 -0.57 0.00 0.00 31.44 28.22 1tk7 n GLU 4 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1tk7 n PHE 5 N 1.37 3.00 0.00 -0.32 3.01 -1.26 -4.65 117.46 118.61 1tk7 n PHE 5 Ca 0.00 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1tk7 n PHE 5 Cb 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 39.48 38.34 1tk7 n PHE 5 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1tk7 n HIS 6 N -0.92 -0.65 -2.17 1.38 8.25 -1.26 -5.02 115.22 114.84 1tk7 n HIS 6 Ca 0.57 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.83 1tk7 n HIS 6 Cb 0.85 0.35 -0.03 0.00 1.12 0.00 0.00 29.99 32.27 1tk7 n HIS 6 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1tk7 n MET 7 N -2.04 -1.63 -0.66 -0.41 2.81 -1.26 -4.96 117.12 108.97 1tk7 n MET 7 Ca 0.00 1.07 -0.08 0.00 -1.81 0.00 0.00 57.70 56.87 1tk7 n MET 7 Cb 0.00 -5.65 0.05 0.00 -0.71 0.00 0.00 33.22 26.92 1tk7 n MET 7 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1tk7 n ASP 8 N -1.82 0.10 -0.11 7.83 8.00 -1.26 -5.05 116.55 124.25 1tk7 n ASP 8 Ca -0.23 -1.17 -0.22 0.00 0.71 0.00 0.00 54.79 53.87 1tk7 n ASP 8 Cb 0.68 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1tk7 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tk7 n ALA 9 N -3.19 0.85 0.12 2.24 0.00 -1.26 -4.43 120.51 114.84 1tk7 n ALA 9 Ca -0.06 -0.61 -0.23 0.00 0.00 0.00 0.00 53.44 52.54 1tk7 n ALA 9 Cb 0.17 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 1tk7 n ALA 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1tk7 h LEU 10 N -1.00 0.79 -2.63 0.00 4.07 -2.02 -3.48 115.31 111.04 1tk7 h LEU 10 Ca -0.40 -0.81 -0.30 0.00 0.08 0.00 0.00 57.88 56.46 1tk7 h LEU 10 Cb 1.32 -0.25 0.17 0.00 1.08 0.00 0.00 40.66 42.97 1tk7 h LEU 10 CO -0.24 1.62 -0.88 0.61 -1.08 0.00 0.00 178.44 178.47 1tk7 n GLY 11 N 1.57 -1.10 0.00 0.83 0.00 -1.26 -5.02 105.19 100.20 1tk7 n GLY 11 Ca -0.14 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1tk7 n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tk7 n PRO 12 N -3.50 1.05 -3.41 1.61 -0.04 -1.26 -4.74 135.00 124.72 1tk7 n PRO 12 Ca -0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 1tk7 n PRO 12 Cb 0.61 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.14 1tk7 n PRO 12 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tk7 n LEU 13 N 0.00 -4.60 0.00 1.53 4.77 -1.26 -5.03 117.00 112.41 1tk7 n LEU 13 Ca 0.00 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1tk7 n LEU 13 Cb 0.00 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.15 1tk7 n LEU 13 CO 0.00 0.24 0.00 -0.81 -1.33 0.00 0.00 177.39 175.49 1tk7 n PRO 14 N -3.62 0.00 0.23 3.23 -0.04 -1.25 -4.83 135.00 128.72 1tk7 n PRO 14 Ca -0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1tk7 n PRO 14 Cb 0.62 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 34.48 1tk7 n PRO 14 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1tk7 h ASP 15 N 0.00 0.00 0.00 3.54 5.19 -1.94 -3.43 116.42 119.77 1tk7 h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1tk7 h ASP 15 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1tk7 h ASP 15 CO 0.00 0.15 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 1tk7 n GLY 16 N 0.47 0.00 3.75 2.75 0.00 -1.26 -5.11 105.19 105.79 1tk7 n GLY 16 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1tk7 n GLY 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tk7 s TRP 17 N -0.10 2.36 -0.20 1.61 0.52 -1.26 -4.27 118.94 117.60 1tk7 s TRP 17 Ca 0.00 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.69 1tk7 s TRP 17 Cb 0.00 -3.27 0.06 0.00 -1.15 0.00 0.00 33.47 29.10 1tk7 s TRP 17 CO 0.00 -2.08 0.00 -2.00 0.02 0.00 0.00 176.95 172.89 1tk7 s GLU 18 N -4.13 0.98 -0.13 4.98 2.12 -0.22 -3.86 118.70 118.45 1tk7 s GLU 18 Ca 0.69 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 1tk7 s GLU 18 Cb -0.23 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 1tk7 s GLU 18 CO 0.45 -0.61 -0.08 -1.59 -0.54 0.00 0.00 175.26 172.90 1tk7 s LYS 19 N 1.71 3.42 -0.06 4.30 -2.85 -1.26 -0.13 119.74 124.87 1tk7 s LYS 19 Ca -0.02 -0.58 0.02 0.00 -1.00 0.00 0.00 55.97 54.39 1tk7 s LYS 19 Cb -0.17 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.85 1tk7 s LYS 19 CO -0.07 0.30 -0.13 0.21 0.10 0.00 0.00 175.35 175.77 1tk7 s LYS 20 N 0.16 1.71 -0.40 1.78 2.20 -0.09 -4.92 119.74 120.18 1tk7 s LYS 20 Ca -0.04 -0.43 -0.26 0.00 -0.36 0.00 0.00 55.97 54.88 1tk7 s LYS 20 Cb -0.14 -1.42 0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1tk7 s LYS 20 CO 0.04 0.04 0.97 -1.50 -0.36 0.00 0.00 175.35 174.54 1tk7 s ILE 21 N 0.62 4.49 0.64 5.43 2.07 -1.26 0.63 121.20 133.82 1tk7 s ILE 21 Ca -0.14 1.14 -0.16 0.00 -1.41 0.00 0.00 60.65 60.08 1tk7 s ILE 21 Cb -0.16 -4.41 -0.01 0.00 0.13 0.00 0.00 42.46 38.02 1tk7 s ILE 21 CO 0.04 -0.68 1.12 -1.58 -1.91 0.00 0.00 174.94 171.93 1tk7 s GLN 22 N 3.71 2.88 0.24 3.50 0.74 0.43 -4.85 119.66 126.30 1tk7 s GLN 22 Ca 0.40 1.45 0.13 0.00 0.05 0.00 0.00 55.36 57.40 1tk7 s GLN 22 Cb -0.11 -1.96 0.73 0.00 1.10 0.00 0.00 33.01 32.78 1tk7 s GLN 22 CO 0.22 -1.20 1.36 -1.13 -0.55 0.00 0.00 175.29 174.00 1tk7 n SER 23 N -2.21 0.35 0.19 6.67 3.41 -1.26 0.15 113.62 120.92 1tk7 n SER 23 Ca 0.11 0.61 0.06 0.00 -0.26 0.00 0.00 58.87 59.39 1tk7 n SER 23 Cb 0.52 -0.63 0.37 0.00 -0.26 0.00 0.00 64.21 64.21 1tk7 n SER 23 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1tk7 h ASP 24 N 0.00 0.00 0.00 4.04 1.82 -2.02 -3.46 116.42 116.80 1tk7 h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1tk7 h ASP 24 Cb 0.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1tk7 h ASP 24 CO 0.00 0.35 0.00 0.59 -1.61 0.00 0.00 179.24 178.57 1tk7 n ASN 25 N -3.59 -0.44 -4.50 2.28 5.03 0.40 -5.08 115.26 109.35 1tk7 n ASN 25 Ca -0.01 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.07 1tk7 n ASN 25 Cb 0.47 -0.12 -0.12 0.00 -1.02 0.00 0.00 39.78 39.00 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1tk7 s ARG 26 N -1.19 3.74 -0.46 3.52 0.52 -1.17 -4.85 118.95 119.07 1tk7 s ARG 26 Ca 0.00 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 1tk7 s ARG 26 Cb 0.00 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 32.00 1tk7 s ARG 26 CO 0.00 -0.21 1.32 0.08 0.02 0.00 0.00 175.30 176.51 1tk7 s VAL 27 N 1.67 3.98 0.55 3.52 1.01 -0.98 -0.43 120.40 129.73 1tk7 s VAL 27 Ca 0.06 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 1tk7 s VAL 27 Cb -0.16 -4.38 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 1tk7 s VAL 27 CO 0.07 -0.91 1.05 -0.31 0.00 0.00 0.00 175.10 174.99 1tk7 s TYR 28 N 5.22 3.01 -0.03 5.22 1.51 0.21 -1.54 117.35 130.94 1tk7 s TYR 28 Ca 0.55 1.54 0.04 0.00 -1.01 0.00 0.00 57.07 58.19 1tk7 s TYR 28 Cb -0.11 -3.03 -0.00 0.00 -0.11 0.00 0.00 41.96 38.71 1tk7 s TYR 28 CO 0.31 -0.98 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.05 1tk7 s PHE 29 N -2.26 1.29 -0.12 2.71 -0.71 0.35 -0.91 117.98 118.32 1tk7 s PHE 29 Ca 0.65 -0.32 0.02 0.00 -1.04 0.00 0.00 56.93 56.24 1tk7 s PHE 29 Cb -0.16 -0.87 0.01 0.00 -1.21 0.00 0.00 43.02 40.79 1tk7 s PHE 29 CO 0.30 -0.10 -0.18 0.08 -1.34 0.00 0.00 175.22 173.98 1tk7 s VAL 30 N -0.01 1.74 -0.22 -2.49 1.01 0.82 -0.03 120.40 121.22 1tk7 s VAL 30 Ca -0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1tk7 s VAL 30 Cb -0.09 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1tk7 s VAL 30 CO 0.01 0.49 0.12 0.21 0.00 0.00 0.00 175.10 175.93 1tk7 s ASN 31 N 0.91 5.92 0.00 3.32 2.47 0.15 -1.06 114.94 126.66 1tk7 s ASN 31 Ca -0.07 0.09 0.25 0.00 0.42 0.00 0.00 52.86 53.55 1tk7 s ASN 31 Cb -0.15 -2.05 0.52 0.00 -1.45 0.00 0.00 41.25 38.11 1tk7 s ASN 31 CO -0.02 0.10 1.42 1.41 -3.72 0.00 0.00 177.10 176.29 1tk7 n HIS 32 N 4.06 0.02 -0.11 0.43 8.25 -1.26 -1.21 115.22 125.40 1tk7 n HIS 32 Ca -0.16 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.19 1tk7 n HIS 32 Cb 0.52 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1tk7 n HIS 32 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1tk7 h LYS 33 N 0.00 0.63 -0.00 -0.41 1.63 -1.93 -3.28 116.57 113.21 1tk7 h LYS 33 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1tk7 h LYS 33 Cb 0.51 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1tk7 h LYS 33 CO 0.00 0.82 -0.23 0.09 -3.45 0.00 0.00 179.45 176.68 1tk7 n ASN 34 N -4.43 0.84 -2.80 4.20 4.13 -1.26 -5.04 115.26 110.91 1tk7 n ASN 34 Ca -0.03 -0.92 -0.02 0.00 1.68 0.00 0.00 54.58 55.30 1tk7 n ASN 34 Cb 0.34 0.64 0.00 0.00 -1.54 0.00 0.00 39.78 39.22 1tk7 n ASN 34 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1tk7 n ARG 35 N -0.58 -1.35 -4.40 3.52 0.63 -0.35 -5.06 116.66 109.07 1tk7 n ARG 35 Ca 0.03 1.49 -0.19 0.00 -0.92 0.00 0.00 57.85 58.25 1tk7 n ARG 35 Cb 0.15 -5.15 -0.15 0.00 0.45 0.00 0.00 32.46 27.76 1tk7 n ARG 35 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1tk7 s THR 36 N -2.86 0.76 0.06 5.15 2.01 -0.57 -4.97 115.64 115.22 1tk7 s THR 36 Ca 0.05 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.73 1tk7 s THR 36 Cb -0.01 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1tk7 s THR 36 CO 0.65 0.22 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.66 1tk7 s THR 37 N -0.21 2.00 -0.03 -0.82 2.01 -1.26 -0.67 115.64 116.66 1tk7 s THR 37 Ca 0.03 -1.40 -0.13 0.00 0.31 0.00 0.00 61.69 60.50 1tk7 s THR 37 Cb -0.04 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1tk7 s THR 37 CO -0.00 0.25 0.29 -1.10 -0.69 0.00 0.00 174.62 173.37 1tk7 s GLN 38 N -1.39 0.60 0.32 4.92 -0.21 0.96 -4.94 119.66 119.92 1tk7 s GLN 38 Ca 0.11 -0.12 -0.07 0.00 0.02 0.00 0.00 55.36 55.29 1tk7 s GLN 38 Cb -0.10 0.27 -0.06 0.00 1.00 0.00 0.00 33.01 34.12 1tk7 s GLN 38 CO 0.03 -0.15 0.62 1.67 -2.12 0.00 0.00 175.29 175.33 1tk7 s TRP 39 N -1.11 3.47 0.00 0.91 -2.14 -1.26 0.13 118.94 118.94 1tk7 s TRP 39 Ca -0.12 0.80 0.00 0.00 2.66 0.00 0.00 56.10 59.44 1tk7 s TRP 39 Cb -0.05 -2.23 0.00 0.00 -3.10 0.00 0.00 33.47 28.09 1tk7 s TRP 39 CO 0.03 0.10 0.00 -1.91 -2.66 0.00 0.00 176.95 172.52 1tk7 n GLU 40 N -0.93 0.00 0.00 3.25 0.00 -0.59 -4.87 120.64 117.50 1tk7 n GLU 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1tk7 n GLU 40 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 1tk7 n GLU 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1tk7 n ASP 41 N 0.24 0.00 -1.93 4.31 2.03 -1.19 -2.31 116.55 117.70 1tk7 n ASP 41 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1tk7 n ASP 41 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 1tk7 n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tk7 n PRO 42 N -0.06 1.97 -0.88 -0.67 -0.04 -1.26 -4.62 135.00 129.44 1tk7 n PRO 42 Ca 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1tk7 n PRO 42 Cb 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1tk7 n PRO 42 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tk7 n ARG 43 N -0.54 -2.39 -1.17 0.54 0.63 -1.26 -2.97 116.66 109.50 1tk7 n ARG 43 Ca 0.43 1.82 -0.29 0.00 -0.92 0.00 0.00 57.85 58.89 1tk7 n ARG 43 Cb 1.14 -2.19 -0.07 0.00 0.45 0.00 0.00 32.46 31.79 1tk7 n ARG 43 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1tk7 n THR 44 N -1.67 3.76 0.00 5.15 -1.04 -1.26 -4.80 114.28 114.41 1tk7 n THR 44 Ca 0.00 -2.15 0.00 0.00 -2.04 0.00 0.00 64.05 59.86 1tk7 n THR 44 Cb 0.17 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 1tk7 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tk7 n GLN 45 N 3.28 1.57 0.10 -2.82 -0.00 -1.26 -5.09 117.38 113.17 1tk7 n GLN 45 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.65 1tk7 n GLN 45 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.67 1tk7 n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tk7 n GLY 46 N 4.91 -1.22 1.42 2.61 0.00 -1.26 -4.93 105.19 106.71 1tk7 n GLY 46 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 1tk7 n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tk7 n GLN 47 N -2.94 1.51 0.00 1.61 1.13 -1.26 -4.66 117.38 112.77 1tk7 n GLN 47 Ca 0.00 -3.11 0.00 0.00 -1.94 0.00 0.00 57.00 51.95 1tk7 n GLN 47 Cb 0.00 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1tk7 n GLN 47 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1tk7 n GLU 48 N -0.50 0.00 -0.13 -1.09 4.71 -1.26 -3.97 120.64 118.40 1tk7 n GLU 48 Ca 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.32 1tk7 n GLU 48 Cb 0.89 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 31.33 1tk7 n GLU 48 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1tk7 n VAL 49 N 0.00 -0.18 -0.35 2.62 0.31 -1.26 0.85 118.33 120.31 1tk7 n VAL 49 Ca 0.00 0.77 0.25 0.00 -0.01 0.00 0.00 64.34 65.35 1tk7 n VAL 49 Cb 0.00 -1.01 0.51 0.00 -0.91 0.00 0.00 33.84 32.43 1tk7 n VAL 49 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1tk7 h SER 50 N 0.00 0.46 0.32 4.52 4.64 -1.96 0.22 113.55 121.75 1tk7 h SER 50 Ca 0.11 0.12 -0.33 0.00 -0.47 0.00 0.00 61.79 61.22 1tk7 h SER 50 Cb 0.19 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1tk7 h SER 50 CO -0.32 -0.01 -1.78 0.25 -0.87 0.00 0.00 176.83 174.10 1tk7 h LEU 51 N 0.35 0.31 -3.52 5.97 7.12 0.15 -3.38 115.31 122.31 1tk7 h LEU 51 Ca 0.68 -0.59 -0.07 0.00 0.13 0.00 0.00 57.88 58.03 1tk7 h LEU 51 Cb 1.71 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.71 1tk7 h LEU 51 CO -0.41 1.52 -0.12 -0.38 -0.13 0.00 0.00 178.44 178.92 1tk7 n ILE 52 N -3.36 2.14 -4.05 4.05 2.08 0.52 -4.71 119.36 116.02 1tk7 n ILE 52 Ca -0.23 -0.81 -0.32 0.00 0.56 0.00 0.00 62.75 61.95 1tk7 n ILE 52 Cb 1.05 -1.65 -0.00 0.00 -0.75 0.00 0.00 39.64 38.29 1tk7 n ILE 52 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1tk7 n ASN 53 N 1.96 -3.58 -4.06 4.38 3.02 -1.08 -1.70 115.26 114.21 1tk7 n ASN 53 Ca 0.16 -0.91 -0.29 0.00 -0.03 0.00 0.00 54.58 53.51 1tk7 n ASN 53 Cb 0.60 -3.30 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 1tk7 n ASN 53 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1tk7 n GLU 54 N -4.51 -3.03 0.00 3.52 2.13 0.35 -4.87 120.64 114.23 1tk7 n GLU 54 Ca 0.01 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1tk7 n GLU 54 Cb 0.53 -4.57 0.00 0.00 0.27 0.00 0.00 31.44 27.67 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tk7 n GLY 55 N -1.91 4.45 3.60 8.31 0.00 -0.69 -5.04 105.19 113.91 1tk7 n GLY 55 Ca -0.22 -0.57 -0.62 0.00 0.00 0.00 0.00 46.02 44.61 1tk7 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tk7 n PRO 56 N 0.00 0.41 0.06 1.61 -0.04 -1.25 -4.83 135.00 130.96 1tk7 n PRO 56 Ca 0.00 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1tk7 n PRO 56 Cb 0.00 -1.75 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 1tk7 n PRO 56 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tk7 h LEU 57 N 7.23 -0.11 -9.76 1.53 5.85 -1.96 -3.40 115.31 114.69 1tk7 h LEU 57 Ca -0.35 -0.22 -0.53 0.00 0.84 0.00 0.00 57.88 57.62 1tk7 h LEU 57 Cb 1.36 0.03 0.07 0.00 0.37 0.00 0.00 40.66 42.49 1tk7 h LEU 57 CO 1.00 0.16 0.85 -2.84 -0.34 0.00 0.00 178.44 177.28 1tk7 s PRO 58 N -5.13 4.18 0.14 5.25 0.02 -1.26 -4.42 135.00 133.78 1tk7 s PRO 58 Ca -0.15 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 1tk7 s PRO 58 Cb 0.03 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 1tk7 s PRO 58 CO 0.64 -0.57 1.27 -1.25 -0.33 0.00 0.00 177.00 176.77 1tk7 s PRO 59 N -0.24 4.41 0.00 5.54 0.04 -1.26 -3.34 135.00 140.15 1tk7 s PRO 59 Ca 0.63 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1tk7 s PRO 59 Cb -0.46 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1tk7 s PRO 59 CO 0.44 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1tk7 n GLY 60 N 2.82 0.65 3.85 0.56 0.00 -1.16 -4.53 105.19 107.38 1tk7 n GLY 60 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1tk7 n GLY 60 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tk7 s TRP 61 N -2.00 3.39 0.03 1.61 0.52 -1.21 -3.00 118.94 118.27 1tk7 s TRP 61 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 56.10 57.37 1tk7 s TRP 61 Cb 0.00 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.77 1tk7 s TRP 61 CO 0.00 0.11 -0.10 -2.00 0.02 0.00 0.00 176.95 174.99 1tk7 s GLU 62 N -2.91 0.68 -0.26 4.98 2.12 -0.05 -4.92 118.70 118.34 1tk7 s GLU 62 Ca 0.53 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 55.18 1tk7 s GLU 62 Cb -0.11 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 1tk7 s GLU 62 CO 0.18 0.15 0.14 0.96 -0.54 0.00 0.00 175.26 176.15 1tk7 s ILE 63 N -0.77 4.99 -0.27 -3.70 -4.36 -1.25 0.59 121.20 116.42 1tk7 s ILE 63 Ca -0.01 0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.32 1tk7 s ILE 63 Cb -0.07 -3.35 -0.05 0.00 1.25 0.00 0.00 42.46 40.25 1tk7 s ILE 63 CO 0.00 0.31 0.18 -0.60 0.24 0.00 0.00 174.94 175.07 1tk7 s ARG 64 N 1.49 3.96 -0.17 0.37 3.52 0.04 -4.83 118.95 123.33 1tk7 s ARG 64 Ca 0.07 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.05 1tk7 s ARG 64 Cb -0.15 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1tk7 s ARG 64 CO 0.07 -0.15 1.11 0.71 -0.81 0.00 0.00 175.30 176.24 1tk7 s TYR 65 N 1.65 3.22 -0.11 5.12 1.51 -1.26 -0.09 117.35 127.40 1tk7 s TYR 65 Ca 0.07 1.34 -0.05 0.00 -1.01 0.00 0.00 57.07 57.42 1tk7 s TYR 65 Cb -0.16 -3.34 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 1tk7 s TYR 65 CO 0.10 -0.86 0.08 0.95 -1.11 0.00 0.00 175.55 174.71 1tk7 s THR 66 N 2.93 4.97 0.58 -0.71 -4.23 0.44 -4.97 115.64 114.64 1tk7 s THR 66 Ca 0.49 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.37 1tk7 s THR 66 Cb -0.19 -3.14 0.54 0.00 1.34 0.00 0.00 72.50 71.05 1tk7 s THR 66 CO 0.13 0.61 1.56 0.00 -0.54 0.00 0.00 174.62 176.37 1tk7 h ALA 67 N 5.15 3.21 0.00 3.99 0.00 -1.96 0.82 119.26 130.46 1tk7 h ALA 67 Ca -0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1tk7 h ALA 67 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1tk7 h ALA 67 CO 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 179.25 178.01 1tk7 n ALA 68 N -2.58 1.62 -0.11 0.00 0.00 -1.26 -4.81 120.51 113.38 1tk7 n ALA 68 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1tk7 n ALA 68 Cb 1.54 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1tk7 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk7 n GLY 69 N -0.25 0.94 3.73 0.00 0.00 0.28 -5.07 105.19 104.82 1tk7 n GLY 69 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1tk7 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tk7 s GLU 70 N -0.80 4.05 -0.62 1.61 2.56 -1.07 -4.90 118.70 119.52 1tk7 s GLU 70 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 54.97 54.55 1tk7 s GLU 70 Cb 0.00 -3.34 0.11 0.00 2.00 0.00 0.00 34.13 32.90 1tk7 s GLU 70 CO 0.00 0.35 0.73 1.03 -0.56 0.00 0.00 175.26 176.81 1tk7 s ARG 71 N 0.19 3.11 0.76 4.30 3.00 -1.26 -0.42 118.95 128.62 1tk7 s ARG 71 Ca 0.08 -1.42 -0.12 0.00 0.00 0.00 0.00 55.73 54.28 1tk7 s ARG 71 Cb -0.11 -4.31 0.05 0.00 0.00 0.00 0.00 34.95 30.57 1tk7 s ARG 71 CO -0.01 -1.54 1.11 -0.06 0.00 0.00 0.00 175.30 174.80 1tk7 s PHE 72 N 2.53 2.48 -0.13 -0.53 0.40 0.87 -4.71 117.98 118.89 1tk7 s PHE 72 Ca 0.13 1.58 -0.06 0.00 -0.60 0.00 0.00 56.93 57.98 1tk7 s PHE 72 Cb -0.22 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1tk7 s PHE 72 CO 0.04 -1.90 0.08 -0.06 0.70 0.00 0.00 175.22 174.09 1tk7 s PHE 73 N -2.70 3.38 -0.25 0.36 0.40 0.20 -0.78 117.98 118.59 1tk7 s PHE 73 Ca 0.64 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 57.29 1tk7 s PHE 73 Cb -0.19 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.45 1tk7 s PHE 73 CO 0.52 0.48 -0.05 0.08 0.70 0.00 0.00 175.22 176.95 1tk7 s VAL 74 N -0.50 1.62 -0.09 -0.44 1.01 0.20 0.55 120.40 122.74 1tk7 s VAL 74 Ca 0.11 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 60.50 1tk7 s VAL 74 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1tk7 s VAL 74 CO 0.02 -0.13 0.83 -0.62 0.00 0.00 0.00 175.10 175.19 1tk7 s ASP 75 N 1.34 7.07 0.00 3.32 -1.08 0.68 -0.87 116.67 127.14 1tk7 s ASP 75 Ca -0.05 1.31 0.17 0.00 -0.52 0.00 0.00 52.55 53.45 1tk7 s ASP 75 Cb -0.19 -2.47 0.24 0.00 -1.46 0.00 0.00 42.92 39.04 1tk7 s ASP 75 CO -0.07 -0.27 1.15 1.41 0.52 0.00 0.00 175.17 177.91 1tk7 n HIS 76 N 4.39 0.22 -0.01 -5.34 8.25 -1.16 -1.34 115.22 120.22 1tk7 n HIS 76 Ca 0.03 -0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.17 1tk7 n HIS 76 Cb 0.50 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1tk7 n HIS 76 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1tk7 h ASN 77 N 3.28 0.35 0.00 0.41 -0.26 -1.86 -3.37 115.58 114.13 1tk7 h ASN 77 Ca 0.00 -0.79 0.00 0.00 -0.56 0.00 0.00 56.30 54.95 1tk7 h ASN 77 Cb 0.76 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1tk7 h ASN 77 CO 0.00 1.09 0.00 0.41 -1.06 0.00 0.00 177.43 177.87 1tk7 n THR 78 N -4.37 0.64 -2.58 2.81 -1.04 -1.26 -4.86 114.28 103.61 1tk7 n THR 78 Ca -0.10 -0.69 -0.05 0.00 -2.04 0.00 0.00 64.05 61.16 1tk7 n THR 78 Cb 0.59 0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 69.77 1tk7 n THR 78 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tk7 n ARG 79 N -0.32 -4.42 -3.51 -2.82 5.12 -1.05 -5.09 116.66 104.57 1tk7 n ARG 79 Ca 0.00 3.35 -0.00 0.00 -1.93 0.00 0.00 57.85 59.27 1tk7 n ARG 79 Cb 0.27 -5.04 -0.05 0.00 -1.16 0.00 0.00 32.46 26.49 1tk7 n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1tk7 s ARG 80 N -0.79 0.36 0.05 5.56 6.06 -0.45 -4.97 118.95 124.77 1tk7 s ARG 80 Ca -0.26 0.80 -0.09 0.00 -2.50 0.00 0.00 55.73 53.68 1tk7 s ARG 80 Cb 0.02 0.36 -0.05 0.00 0.06 0.00 0.00 34.95 35.33 1tk7 s ARG 80 CO 0.78 -0.11 0.34 0.99 -2.50 0.00 0.00 175.30 174.81 1tk7 s THR 81 N 2.11 5.18 -0.05 4.11 2.01 -1.26 -0.23 115.64 127.52 1tk7 s THR 81 Ca -0.05 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 1tk7 s THR 81 Cb -0.06 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1tk7 s THR 81 CO -0.17 0.33 0.46 0.42 -0.69 0.00 0.00 174.62 174.97 1tk7 s THR 82 N -1.34 0.03 0.19 -0.82 -4.23 0.19 -4.96 115.64 104.70 1tk7 s THR 82 Ca 0.30 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1tk7 s THR 82 Cb -0.14 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.96 1tk7 s THR 82 CO 0.17 -0.14 1.59 -0.26 -0.54 0.00 0.00 174.62 175.44 1tk7 h PHE 83 N 3.76 0.94 0.00 3.99 -1.00 -1.93 0.57 116.94 123.26 1tk7 h PHE 83 Ca -0.28 -0.23 -0.16 0.00 2.81 0.00 0.00 57.97 60.10 1tk7 h PHE 83 Cb 1.16 -0.22 -0.13 0.00 3.61 0.00 0.00 35.95 40.38 1tk7 h PHE 83 CO 0.46 0.99 -0.23 -0.85 -1.61 0.00 0.00 178.31 177.07 1tk7 n GLU 84 N -4.09 1.07 0.06 1.51 -0.00 -1.26 -4.58 120.64 113.35 1tk7 n GLU 84 Ca -0.00 -1.26 -0.12 0.00 -0.00 0.00 0.00 57.16 55.77 1tk7 n GLU 84 Cb 0.47 0.18 -0.09 0.00 -0.00 0.00 0.00 31.44 32.01 1tk7 n GLU 84 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1tk7 h ASP 85 N 1.27 -0.17 0.00 -1.84 3.58 -1.96 -3.42 116.42 113.89 1tk7 h ASP 85 Ca -0.36 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.75 1tk7 h ASP 85 Cb 1.27 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1tk7 h ASP 85 CO -0.13 0.30 0.00 -0.81 -2.88 0.00 0.00 179.24 175.72 1tk7 n PRO 86 N -4.97 0.00 -1.70 0.28 -0.04 -1.26 -4.83 135.00 122.48 1tk7 n PRO 86 Ca -0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1tk7 n PRO 86 Cb 0.26 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.69 1tk7 n PRO 86 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1tk7 s ARG 87 N 0.00 4.13 0.00 0.54 3.52 -1.26 -5.03 118.95 120.85 1tk7 s ARG 87 Ca 0.00 2.62 0.02 0.00 -0.13 0.00 0.00 55.73 58.24 1tk7 s ARG 87 Cb 0.00 -3.45 0.12 0.00 -1.56 0.00 0.00 34.95 30.05 1tk7 s ARG 87 CO 0.00 -0.83 0.60 -2.30 -0.81 0.00 0.00 175.30 171.97