#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk7 h SER 2 N 0.00 -0.39 -0.10 1.61 0.02 -2.11 -3.23 113.55 109.35 1tk7 h SER 2 Ca 0.00 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.56 1tk7 h SER 2 Cb 0.00 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 1tk7 h SER 2 CO 0.00 0.04 -0.16 -0.81 -1.14 0.00 0.00 176.83 174.77 1tk7 n PRO 3 N -5.11 2.11 -3.63 3.45 -0.05 -1.26 -4.73 135.00 125.77 1tk7 n PRO 3 Ca -0.09 -1.17 -0.11 0.00 -0.05 0.00 0.00 63.50 62.08 1tk7 n PRO 3 Cb 0.27 -2.04 -0.07 0.00 -0.05 0.00 0.00 33.50 31.60 1tk7 n PRO 3 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 1tk7 s GLU 4 N 0.79 0.71 -0.26 0.54 2.12 -1.22 -5.17 118.70 116.21 1tk7 s GLU 4 Ca 0.66 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.67 1tk7 s GLU 4 Cb 0.32 0.30 0.12 0.00 0.26 0.00 0.00 34.13 35.13 1tk7 s GLU 4 CO -0.02 -0.10 0.99 -0.59 -0.54 0.00 0.00 175.26 175.00 1tk7 s PHE 5 N 0.67 -0.49 0.17 5.30 -0.12 -1.26 -4.40 117.98 117.85 1tk7 s PHE 5 Ca -0.02 1.15 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 1tk7 s PHE 5 Cb -0.05 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 1tk7 s PHE 5 CO -0.06 -0.26 1.00 -1.58 -0.05 0.00 0.00 175.22 174.27 1tk7 s HIS 6 N 0.03 3.78 0.00 3.49 5.65 -1.26 -4.80 115.29 122.18 1tk7 s HIS 6 Ca 0.02 1.77 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1tk7 s HIS 6 Cb -0.04 -3.11 0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1tk7 s HIS 6 CO -0.04 -0.01 0.00 -0.12 -0.65 0.00 0.00 174.74 173.92 1tk7 n MET 7 N 2.26 0.00 -0.84 2.88 0.00 -1.26 -5.10 117.12 115.06 1tk7 n MET 7 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.42 1tk7 n MET 7 Cb 0.47 -0.04 0.24 0.00 0.00 0.00 0.00 33.22 33.89 1tk7 n MET 7 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1tk7 s ASP 8 N -2.05 1.01 0.00 6.12 -4.77 -1.26 -1.69 116.67 114.04 1tk7 s ASP 8 Ca 0.00 1.05 0.00 0.00 -3.30 0.00 0.00 52.55 50.30 1tk7 s ASP 8 Cb 0.00 -1.60 0.00 0.00 -1.09 0.00 0.00 42.92 40.23 1tk7 s ASP 8 CO 0.00 -4.11 0.00 0.00 0.70 0.00 0.00 175.17 171.76 1tk7 n ALA 9 N -4.81 0.00 -0.11 2.11 0.00 -0.96 -3.96 120.51 112.78 1tk7 n ALA 9 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1tk7 n ALA 9 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1tk7 n ALA 9 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1tk7 h LEU 10 N 0.00 0.99 0.00 0.00 8.10 -1.89 -3.36 115.31 119.15 1tk7 h LEU 10 Ca 0.00 -0.47 0.00 0.00 0.11 0.00 0.00 57.88 57.52 1tk7 h LEU 10 Cb 0.00 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 39.94 1tk7 h LEU 10 CO 0.00 1.26 0.00 0.61 -4.11 0.00 0.00 178.44 176.20 1tk7 n GLY 11 N 0.16 0.52 3.76 0.17 0.00 -0.68 -4.99 105.19 104.12 1tk7 n GLY 11 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1tk7 n GLY 11 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tk7 s PRO 12 N 3.13 3.51 -0.87 1.61 0.02 -1.26 -4.06 135.00 137.08 1tk7 s PRO 12 Ca 0.00 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.03 1tk7 s PRO 12 Cb 0.00 -2.39 -0.02 0.00 0.02 0.00 0.00 34.50 32.10 1tk7 s PRO 12 CO 0.00 -0.83 0.78 1.28 -0.33 0.00 0.00 177.00 177.89 1tk7 n LEU 13 N -0.64 -5.99 0.10 -5.54 4.77 -0.84 -2.35 117.00 106.51 1tk7 n LEU 13 Ca 0.08 -0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1tk7 n LEU 13 Cb 0.46 -3.16 -0.08 0.00 -2.33 0.00 0.00 43.42 38.30 1tk7 n LEU 13 CO 0.51 -0.55 0.72 -0.65 -1.33 0.00 0.00 177.39 176.08 1tk7 h PRO 14 N -0.23 -0.20 0.00 3.23 0.11 -1.71 -2.54 132.00 130.66 1tk7 h PRO 14 Ca -0.27 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 1tk7 h PRO 14 Cb 1.14 0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 1tk7 h PRO 14 CO 0.36 0.02 -0.51 -3.47 -0.21 0.00 0.00 178.00 174.19 1tk7 n ASP 15 N -5.10 -0.01 0.00 -2.05 -0.08 -1.26 -4.44 116.55 103.61 1tk7 n ASP 15 Ca -0.09 -1.82 0.00 0.00 -1.51 0.00 0.00 54.79 51.38 1tk7 n ASP 15 Cb 0.18 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1tk7 n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1tk7 n GLY 16 N 0.16 1.34 3.77 0.27 0.00 -1.26 -4.58 105.19 104.89 1tk7 n GLY 16 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.03 -0.23 1.61 0.23 -1.26 -0.61 118.94 121.72 1tk7 s TRP 17 Ca 0.00 1.49 -0.04 0.00 -2.03 0.00 0.00 56.10 55.52 1tk7 s TRP 17 Cb 0.00 -3.53 0.08 0.00 0.03 0.00 0.00 33.47 30.05 1tk7 s TRP 17 CO 0.00 -1.61 0.13 -2.00 0.96 0.00 0.00 176.95 174.43 1tk7 s GLU 18 N -2.08 0.14 -0.17 4.98 2.12 0.72 -1.98 118.70 122.44 1tk7 s GLU 18 Ca 0.54 -0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 1tk7 s GLU 18 Cb -0.35 -1.42 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 1tk7 s GLU 18 CO 0.45 -0.84 -0.06 -1.59 -0.54 0.00 0.00 175.26 172.69 1tk7 s LYS 19 N 2.15 3.54 -0.12 4.30 0.00 -1.26 -0.81 119.74 127.54 1tk7 s LYS 19 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 55.45 1tk7 s LYS 19 Cb -0.16 -2.89 0.02 0.00 0.00 0.00 0.00 37.83 34.81 1tk7 s LYS 19 CO -0.23 0.12 -0.12 0.21 0.00 0.00 0.00 175.35 175.33 1tk7 s LYS 20 N 0.67 1.93 0.15 1.78 2.47 -0.16 -4.93 119.74 121.65 1tk7 s LYS 20 Ca -0.03 -0.43 -0.30 0.00 -1.56 0.00 0.00 55.97 53.65 1tk7 s LYS 20 Cb -0.15 -1.79 -0.07 0.00 -1.46 0.00 0.00 37.83 34.36 1tk7 s LYS 20 CO 0.02 -0.19 1.08 -1.50 0.16 0.00 0.00 175.35 174.93 1tk7 s ILE 21 N 1.39 4.02 0.05 5.43 2.07 -1.26 0.03 121.20 132.92 1tk7 s ILE 21 Ca 0.01 1.70 -0.00 0.00 -1.41 0.00 0.00 60.65 60.94 1tk7 s ILE 21 Cb -0.13 -4.08 -0.04 0.00 0.13 0.00 0.00 42.46 38.33 1tk7 s ILE 21 CO -0.07 0.27 0.19 -1.58 -1.91 0.00 0.00 174.94 171.84 1tk7 s GLN 22 N -0.15 3.37 0.00 3.50 2.00 0.19 -4.94 119.66 123.63 1tk7 s GLN 22 Ca 0.50 -0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.42 1tk7 s GLN 22 Cb -0.28 -3.01 0.00 0.00 0.80 0.00 0.00 33.01 30.51 1tk7 s GLN 22 CO 0.33 0.62 0.91 0.45 -0.50 0.00 0.00 175.29 177.10 1tk7 n SER 23 N 0.47 0.00 0.00 6.67 2.88 -1.26 0.81 113.62 123.19 1tk7 n SER 23 Ca -0.07 0.41 0.14 0.00 -1.33 0.00 0.00 58.87 58.02 1tk7 n SER 23 Cb 0.51 -0.41 0.63 0.00 -0.75 0.00 0.00 64.21 64.19 1tk7 n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tk7 n ASP 24 N -1.41 0.00 0.00 -3.46 9.92 -1.26 -4.86 116.55 115.48 1tk7 n ASP 24 Ca 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1tk7 n ASP 24 Cb 0.02 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1tk7 n ASP 24 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1tk7 n ASN 25 N -1.44 -1.84 -4.59 -2.24 2.85 0.24 -5.05 115.26 103.19 1tk7 n ASN 25 Ca 0.09 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.19 1tk7 n ASN 25 Cb 0.30 -0.35 -0.11 0.00 1.24 0.00 0.00 39.78 40.86 1tk7 n ASN 25 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1tk7 s ARG 26 N -1.76 3.92 -0.32 1.20 1.81 -1.13 -4.86 118.95 117.81 1tk7 s ARG 26 Ca 0.00 -0.35 -0.17 0.00 -1.72 0.00 0.00 55.73 53.49 1tk7 s ARG 26 Cb 0.00 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 1tk7 s ARG 26 CO 0.00 -0.01 0.47 0.08 -0.68 0.00 0.00 175.30 175.16 1tk7 s VAL 27 N 1.19 5.07 0.51 3.52 1.01 -1.14 0.56 120.40 131.12 1tk7 s VAL 27 Ca 0.06 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 1tk7 s VAL 27 Cb -0.14 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1tk7 s VAL 27 CO 0.05 -0.08 0.99 -0.72 0.00 0.00 0.00 175.10 175.34 1tk7 s TYR 28 N 2.27 3.35 0.01 5.22 -0.85 0.10 -0.41 117.35 127.04 1tk7 s TYR 28 Ca 0.18 1.50 0.05 0.00 -0.52 0.00 0.00 57.07 58.27 1tk7 s TYR 28 Cb -0.16 -2.84 -0.02 0.00 0.38 0.00 0.00 41.96 39.33 1tk7 s TYR 28 CO 0.12 -0.45 -0.15 -0.59 -1.52 0.00 0.00 175.55 172.96 1tk7 s PHE 29 N -2.50 1.32 -0.08 -3.49 -0.71 0.26 -0.98 117.98 111.80 1tk7 s PHE 29 Ca 0.60 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 56.20 1tk7 s PHE 29 Cb -0.11 -0.83 0.03 0.00 -1.21 0.00 0.00 43.02 40.90 1tk7 s PHE 29 CO 0.29 0.00 -0.02 0.08 -1.34 0.00 0.00 175.22 174.23 1tk7 s VAL 30 N -0.52 0.54 -0.23 -2.49 1.01 0.01 -0.09 120.40 118.63 1tk7 s VAL 30 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1tk7 s VAL 30 Cb -0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1tk7 s VAL 30 CO 0.00 0.28 0.14 0.21 0.00 0.00 0.00 175.10 175.74 1tk7 s ASN 31 N 1.84 6.05 0.00 3.32 3.84 0.10 -0.20 114.94 129.88 1tk7 s ASN 31 Ca 0.04 0.11 0.24 0.00 0.21 0.00 0.00 52.86 53.46 1tk7 s ASN 31 Cb -0.12 -2.08 0.38 0.00 -0.55 0.00 0.00 41.25 38.88 1tk7 s ASN 31 CO -0.06 0.09 1.33 1.41 -2.79 0.00 0.00 177.10 177.08 1tk7 n HIS 32 N 4.14 0.00 -0.03 0.43 8.25 0.22 -1.46 115.22 126.77 1tk7 n HIS 32 Ca -0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.16 1tk7 n HIS 32 Cb 0.52 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.39 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 0.70 0.15 -0.01 -0.41 3.64 -1.81 -3.35 116.57 115.48 1tk7 h LYS 33 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1tk7 h LYS 33 Cb 0.54 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1tk7 h LYS 33 CO 0.00 0.85 -0.31 -1.71 -2.27 0.00 0.00 179.45 176.01 1tk7 n ASN 34 N -4.57 1.35 -2.66 4.20 2.85 -1.26 -5.05 115.26 110.11 1tk7 n ASN 34 Ca -0.09 -1.17 -0.05 0.00 -0.11 0.00 0.00 54.58 53.16 1tk7 n ASN 34 Cb 0.45 0.53 0.01 0.00 1.24 0.00 0.00 39.78 42.00 1tk7 n ASN 34 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1tk7 n ARG 35 N -0.30 -2.46 -3.74 1.20 3.00 -0.53 -5.07 116.66 108.76 1tk7 n ARG 35 Ca 0.05 2.15 -0.13 0.00 -0.01 0.00 0.00 57.85 59.91 1tk7 n ARG 35 Cb 0.27 -5.13 -0.11 0.00 0.00 0.00 0.00 32.46 27.49 1tk7 n ARG 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1tk7 s THR 36 N -2.12 -0.01 0.07 0.55 2.01 -0.59 -4.96 115.64 110.60 1tk7 s THR 36 Ca 0.15 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.26 1tk7 s THR 36 Cb -0.04 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1tk7 s THR 36 CO 0.69 0.01 -0.24 0.28 -0.69 0.00 0.00 174.62 174.67 1tk7 s THR 37 N 0.47 1.96 -0.23 -0.82 -1.32 -1.26 0.00 115.64 114.44 1tk7 s THR 37 Ca -0.02 -1.43 -0.17 0.00 -1.21 0.00 0.00 61.69 58.86 1tk7 s THR 37 Cb -0.04 -1.71 0.06 0.00 -1.51 0.00 0.00 72.50 69.31 1tk7 s THR 37 CO -0.02 0.20 0.58 -1.10 -2.21 0.00 0.00 174.62 172.07 1tk7 s GLN 38 N -1.49 0.64 -0.41 7.08 -0.21 0.86 -4.97 119.66 121.16 1tk7 s GLN 38 Ca 0.10 0.92 -0.20 0.00 0.02 0.00 0.00 55.36 56.20 1tk7 s GLN 38 Cb -0.10 0.21 0.02 0.00 1.00 0.00 0.00 33.01 34.14 1tk7 s GLN 38 CO 0.03 -0.11 0.61 -1.58 -2.12 0.00 0.00 175.29 172.11 1tk7 s TRP 39 N 0.87 3.10 0.00 0.91 0.52 -1.26 0.91 118.94 123.99 1tk7 s TRP 39 Ca -0.04 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.09 1tk7 s TRP 39 Cb -0.05 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 1tk7 s TRP 39 CO -0.07 -0.77 0.00 -1.91 0.02 0.00 0.00 176.95 174.22 1tk7 n GLU 40 N 6.10 0.00 0.00 4.98 4.07 -0.02 -4.93 120.64 130.83 1tk7 n GLU 40 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1tk7 n GLU 40 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1tk7 n GLU 40 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1tk7 n ASP 41 N 0.00 0.00 -0.96 4.31 5.75 0.45 -2.90 116.55 123.20 1tk7 n ASP 41 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 1tk7 n ASP 41 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.23 1tk7 n ASP 41 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1tk7 n PRO 42 N 0.98 2.19 0.00 0.11 -0.04 -1.26 -5.01 135.00 131.97 1tk7 n PRO 42 Ca 0.00 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1tk7 n PRO 42 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1tk7 n PRO 42 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1tk7 n ARG 43 N 1.28 0.00 -3.35 0.54 1.85 -1.26 0.22 116.66 115.94 1tk7 n ARG 43 Ca 0.15 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.83 1tk7 n ARG 43 Cb 0.55 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.01 1tk7 n ARG 43 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1tk7 n THR 44 N -0.06 -8.35 -4.66 8.89 -1.04 -1.26 -4.82 114.28 102.98 1tk7 n THR 44 Ca 0.00 -1.05 -0.23 0.00 -2.04 0.00 0.00 64.05 60.73 1tk7 n THR 44 Cb 0.00 -5.94 -0.15 0.00 -1.82 0.00 0.00 70.33 62.42 1tk7 n THR 44 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1tk7 s GLN 45 N -4.60 1.19 0.12 -2.82 0.74 -1.26 -4.53 119.66 108.50 1tk7 s GLN 45 Ca 0.38 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1tk7 s GLN 45 Cb -0.08 -1.16 -0.07 0.00 1.10 0.00 0.00 33.01 32.80 1tk7 s GLN 45 CO 0.78 0.31 1.58 0.78 -0.55 0.00 0.00 175.29 178.20 1tk7 h GLY 46 N 5.67 -0.75 0.99 2.59 0.00 -1.95 -1.64 103.07 107.98 1tk7 h GLY 46 Ca -0.35 0.51 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1tk7 h GLY 46 CO 0.48 -0.24 0.46 1.46 0.00 0.00 0.00 176.54 178.71 1tk7 h GLN 47 N -0.54 0.62 0.00 4.80 1.08 -1.97 -3.42 115.11 115.68 1tk7 h GLN 47 Ca 0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1tk7 h GLN 47 Cb 0.64 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1tk7 h GLN 47 CO -0.35 0.41 0.00 0.39 -0.95 0.00 0.00 178.83 178.33 1tk7 n GLU 48 N -4.49 0.00 0.00 1.46 -0.58 -0.66 -5.07 120.64 111.30 1tk7 n GLU 48 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1tk7 n GLU 48 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1tk7 n GLU 48 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1tk7 n VAL 49 N 0.00 0.00 -3.73 2.62 0.31 -0.96 -4.78 118.33 111.79 1tk7 n VAL 49 Ca 0.00 0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 64.29 1tk7 n VAL 49 Cb 0.00 -0.89 0.04 0.00 -0.91 0.00 0.00 33.84 32.08 1tk7 n VAL 49 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1tk7 n SER 50 N 0.00 -2.34 -3.57 4.52 7.64 -1.10 -2.09 113.62 116.68 1tk7 n SER 50 Ca 0.00 -0.79 -0.22 0.00 1.01 0.00 0.00 58.87 58.87 1tk7 n SER 50 Cb 0.00 -4.12 0.05 0.00 -1.01 0.00 0.00 64.21 59.12 1tk7 n SER 50 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1tk7 n LEU 51 N -4.40 -3.71 -0.36 -3.43 4.77 -1.26 -4.82 117.00 103.78 1tk7 n LEU 51 Ca -0.20 -0.83 0.27 0.00 -0.03 0.00 0.00 56.01 55.22 1tk7 n LEU 51 Cb 0.64 -2.76 0.54 0.00 -2.33 0.00 0.00 43.42 39.50 1tk7 n LEU 51 CO 0.69 0.35 1.21 0.40 -1.33 0.00 0.00 177.39 178.71 1tk7 h ILE 52 N -1.69 0.37 -2.78 -0.08 2.04 -1.73 -3.47 117.51 110.17 1tk7 h ILE 52 Ca -0.62 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1tk7 h ILE 52 Cb 1.35 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1tk7 h ILE 52 CO 0.51 0.05 -0.21 -3.20 0.00 0.00 0.00 178.15 175.30 1tk7 n ASN 53 N -4.71 -2.76 -3.15 1.72 2.85 -1.26 -4.78 115.26 103.16 1tk7 n ASN 53 Ca 0.30 0.30 -0.15 0.00 -0.11 0.00 0.00 54.58 54.91 1tk7 n ASN 53 Cb 1.05 -1.74 0.08 0.00 1.24 0.00 0.00 39.78 40.41 1tk7 n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1tk7 n GLU 54 N 0.31 -5.66 0.00 1.20 1.02 -1.26 -5.04 120.64 111.21 1tk7 n GLU 54 Ca -0.03 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1tk7 n GLU 54 Cb 0.04 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 25.98 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tk7 n GLY 55 N -1.12 4.78 0.49 0.62 0.00 -1.26 -4.97 105.19 103.73 1tk7 n GLY 55 Ca -0.25 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.91 -4.08 1.61 -0.04 -1.26 -4.82 135.00 127.32 1tk7 n PRO 56 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1tk7 n PRO 56 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1tk7 n PRO 56 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1tk7 n LEU 57 N 0.03 -0.21 -2.85 1.53 0.00 -1.26 -2.81 117.00 111.43 1tk7 n LEU 57 Ca 0.00 -1.20 -0.35 0.00 0.00 0.00 0.00 56.01 54.47 1tk7 n LEU 57 Cb 0.22 -1.44 0.02 0.00 0.00 0.00 0.00 43.42 42.22 1tk7 n LEU 57 CO 0.00 0.71 0.95 -0.81 0.00 0.00 0.00 177.39 178.24 1tk7 n PRO 58 N -4.67 3.32 -3.13 1.96 -0.04 -1.26 -4.06 135.00 127.12 1tk7 n PRO 58 Ca -0.13 -4.09 -0.45 0.00 -0.04 0.00 0.00 63.50 58.78 1tk7 n PRO 58 Cb 0.53 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 1tk7 n PRO 58 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1tk7 s PRO 59 N -3.87 3.26 0.00 0.54 0.04 -1.26 -4.15 135.00 129.56 1tk7 s PRO 59 Ca 0.49 -1.66 0.00 0.00 0.04 0.00 0.00 61.00 59.87 1tk7 s PRO 59 Cb 0.39 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1tk7 s PRO 59 CO -0.29 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1tk7 n GLY 60 N 5.05 1.11 3.68 0.56 0.00 0.13 -4.89 105.19 110.83 1tk7 n GLY 60 Ca 0.01 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 2.90 0.14 1.61 0.52 -0.55 -1.81 118.94 119.68 1tk7 s TRP 61 Ca 0.00 -0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.09 1tk7 s TRP 61 Cb 0.00 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1tk7 s TRP 61 CO 0.00 0.50 -0.17 -1.21 0.02 0.00 0.00 176.95 176.09 1tk7 s GLU 62 N -2.76 1.16 -0.27 4.98 2.02 0.18 -4.50 118.70 119.50 1tk7 s GLU 62 Ca 0.27 -1.30 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 1tk7 s GLU 62 Cb -0.10 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 1tk7 s GLU 62 CO 0.19 0.24 0.38 0.96 0.02 0.00 0.00 175.26 177.05 1tk7 s ILE 63 N -1.92 5.17 -0.28 -1.63 -4.36 -1.26 -0.13 121.20 116.80 1tk7 s ILE 63 Ca 0.11 0.54 -0.09 0.00 -0.26 0.00 0.00 60.65 60.95 1tk7 s ILE 63 Cb -0.06 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 39.91 1tk7 s ILE 63 CO 0.05 0.14 0.14 -0.60 0.24 0.00 0.00 174.94 174.91 1tk7 s ARG 64 N 2.07 3.68 -0.17 0.37 6.06 0.69 -4.85 118.95 126.81 1tk7 s ARG 64 Ca 0.15 -0.48 -0.29 0.00 -2.50 0.00 0.00 55.73 52.60 1tk7 s ARG 64 Cb -0.16 -3.53 -0.02 0.00 0.06 0.00 0.00 34.95 31.31 1tk7 s ARG 64 CO 0.10 -0.25 1.32 1.52 -2.50 0.00 0.00 175.30 175.49 1tk7 s TYR 65 N 1.67 2.70 -0.11 5.12 -0.85 -1.26 0.08 117.35 124.70 1tk7 s TYR 65 Ca 0.06 0.88 -0.05 0.00 -0.52 0.00 0.00 57.07 57.44 1tk7 s TYR 65 Cb -0.16 -3.61 -0.04 0.00 0.38 0.00 0.00 41.96 38.53 1tk7 s TYR 65 CO 0.07 -2.00 0.08 0.99 -1.52 0.00 0.00 175.55 173.18 1tk7 s THR 66 N 3.72 5.00 0.43 -3.49 2.01 0.14 -4.96 115.64 118.49 1tk7 s THR 66 Ca 0.58 0.02 0.32 0.00 0.31 0.00 0.00 61.69 62.91 1tk7 s THR 66 Cb -0.23 -3.16 0.49 0.00 0.01 0.00 0.00 72.50 69.62 1tk7 s THR 66 CO 0.18 0.60 1.54 0.00 -0.69 0.00 0.00 174.62 176.25 1tk7 n ALA 67 N 2.15 1.33 0.79 7.40 0.00 -1.26 0.12 120.51 131.04 1tk7 n ALA 67 Ca -0.19 0.86 0.07 0.00 0.00 0.00 0.00 53.44 54.19 1tk7 n ALA 67 Cb 0.54 -1.04 0.40 0.00 0.00 0.00 0.00 19.45 19.35 1tk7 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk7 n ALA 68 N -2.52 1.92 -0.09 0.00 0.00 -1.26 -4.80 120.51 113.76 1tk7 n ALA 68 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1tk7 n ALA 68 Cb 1.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.05 0.95 3.82 0.00 0.00 0.33 -5.08 105.19 105.15 1tk7 n GLY 69 Ca 0.09 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.71 3.40 -0.52 1.61 2.56 -1.08 -4.86 118.70 119.09 1tk7 s GLU 70 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.97 54.59 1tk7 s GLU 70 Cb 0.00 -3.11 0.09 0.00 2.00 0.00 0.00 34.13 33.10 1tk7 s GLU 70 CO 0.00 0.71 0.55 -0.98 -0.56 0.00 0.00 175.26 174.98 1tk7 s ARG 71 N -0.86 3.03 0.72 4.30 3.03 -1.26 0.27 118.95 128.19 1tk7 s ARG 71 Ca 0.14 -1.30 -0.11 0.00 2.03 0.00 0.00 55.73 56.49 1tk7 s ARG 71 Cb -0.12 -4.19 0.03 0.00 -1.03 0.00 0.00 34.95 29.64 1tk7 s ARG 71 CO 0.03 -1.26 1.07 -0.06 -1.13 0.00 0.00 175.30 173.95 1tk7 s PHE 72 N 2.13 2.90 -0.05 5.89 0.40 0.11 -4.66 117.98 124.70 1tk7 s PHE 72 Ca 0.08 1.48 -0.13 0.00 -0.60 0.00 0.00 56.93 57.76 1tk7 s PHE 72 Cb -0.24 -2.95 -0.05 0.00 0.51 0.00 0.00 43.02 40.29 1tk7 s PHE 72 CO 0.07 -1.45 0.34 -0.06 0.70 0.00 0.00 175.22 174.82 1tk7 s PHE 73 N -2.97 3.66 -0.20 0.36 0.40 0.75 -0.22 117.98 119.75 1tk7 s PHE 73 Ca 0.59 0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 57.74 1tk7 s PHE 73 Cb -0.15 -2.24 0.06 0.00 0.51 0.00 0.00 43.02 41.20 1tk7 s PHE 73 CO 0.55 0.58 0.05 0.08 0.70 0.00 0.00 175.22 177.18 1tk7 s VAL 74 N -0.77 0.39 -0.16 -0.44 1.01 0.82 -0.12 120.40 121.13 1tk7 s VAL 74 Ca 0.21 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1tk7 s VAL 74 Cb -0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1tk7 s VAL 74 CO 0.10 -0.26 0.50 -0.62 0.00 0.00 0.00 175.10 174.83 1tk7 s ASP 75 N 1.91 6.63 0.01 3.32 -1.08 0.20 0.50 116.67 128.17 1tk7 s ASP 75 Ca 0.00 0.75 0.22 0.00 -0.52 0.00 0.00 52.55 53.01 1tk7 s ASP 75 Cb -0.17 -2.29 -0.08 0.00 -1.46 0.00 0.00 42.92 38.92 1tk7 s ASP 75 CO -0.10 -0.09 0.92 1.41 0.52 0.00 0.00 175.17 177.83 1tk7 n HIS 76 N 4.24 0.10 -0.01 -5.34 8.25 -0.75 -1.44 115.22 120.27 1tk7 n HIS 76 Ca -0.06 0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1tk7 n HIS 76 Cb 0.51 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.26 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 0.00 0.59 -0.01 0.41 2.35 -1.91 -3.33 115.58 113.68 1tk7 h ASN 77 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1tk7 h ASN 77 Cb 0.67 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1tk7 h ASN 77 CO 0.00 1.19 -0.19 0.35 -1.65 0.00 0.00 177.43 177.13 1tk7 n THR 78 N -4.22 0.00 -2.77 2.81 -2.24 -1.26 -5.03 114.28 101.57 1tk7 n THR 78 Ca -0.09 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1tk7 n THR 78 Cb 0.63 1.16 0.01 0.00 -2.10 0.00 0.00 70.33 70.03 1tk7 n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1tk7 n ARG 79 N -0.03 -2.73 -3.68 -0.78 5.12 -1.06 -5.07 116.66 108.42 1tk7 n ARG 79 Ca 0.05 2.33 -0.12 0.00 -1.93 0.00 0.00 57.85 58.18 1tk7 n ARG 79 Cb 0.26 -5.49 -0.09 0.00 -1.16 0.00 0.00 32.46 25.98 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 -2.23 0.61 0.09 5.56 3.52 -0.52 -4.99 118.95 120.99 1tk7 s ARG 80 Ca 0.16 0.83 0.09 0.00 -0.13 0.00 0.00 55.73 56.67 1tk7 s ARG 80 Cb -0.04 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 1tk7 s ARG 80 CO 0.76 -0.10 -0.24 -0.08 -0.81 0.00 0.00 175.30 174.83 1tk7 s THR 81 N 0.66 1.97 -0.04 4.11 -1.32 -1.26 0.63 115.64 120.39 1tk7 s THR 81 Ca -0.03 -1.50 -0.02 0.00 -1.21 0.00 0.00 61.69 58.92 1tk7 s THR 81 Cb -0.05 -1.73 0.02 0.00 -1.51 0.00 0.00 72.50 69.23 1tk7 s THR 81 CO -0.04 0.14 0.09 -0.89 -2.21 0.00 0.00 174.62 171.70 1tk7 s THR 82 N -0.97 -0.02 -0.06 5.08 2.01 0.83 -4.98 115.64 117.53 1tk7 s THR 82 Ca 0.10 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.90 1tk7 s THR 82 Cb -0.10 -0.14 -0.23 0.00 0.01 0.00 0.00 72.50 72.05 1tk7 s THR 82 CO 0.04 0.03 1.04 -0.26 -0.69 0.00 0.00 174.62 174.78 1tk7 h PHE 83 N 6.41 0.11 -1.43 4.92 -1.00 -1.96 0.21 116.94 124.22 1tk7 h PHE 83 Ca -0.31 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1tk7 h PHE 83 Cb 1.18 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1tk7 h PHE 83 CO 0.42 0.81 0.00 -0.85 -1.61 0.00 0.00 178.31 177.08 1tk7 n GLU 84 N -4.64 0.72 -3.00 1.51 0.28 -1.26 -4.60 120.64 109.64 1tk7 n GLU 84 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.56 1tk7 n GLU 84 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 1tk7 n GLU 84 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1tk7 s ASP 85 N -1.00 7.01 0.00 -1.84 1.11 -1.26 -4.59 116.67 116.09 1tk7 s ASP 85 Ca 0.00 1.51 0.00 0.00 0.18 0.00 0.00 52.55 54.24 1tk7 s ASP 85 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1tk7 s ASP 85 CO 0.00 -0.13 0.00 -2.65 1.18 0.00 0.00 175.17 173.57 1tk7 n PRO 86 N 0.13 3.14 -2.60 8.23 -0.02 -1.26 -4.93 135.00 137.69 1tk7 n PRO 86 Ca 0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1tk7 n PRO 86 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.01 1tk7 n PRO 86 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1tk7 n ARG 87 N 0.00 -1.89 0.00 -0.52 3.00 -1.12 -4.86 116.66 111.27 1tk7 n ARG 87 Ca 0.00 1.79 0.07 0.00 -0.00 0.00 0.00 57.85 59.72 1tk7 n ARG 87 Cb 0.00 -4.88 0.44 0.00 0.00 0.00 0.00 32.46 28.01 1tk7 n ARG 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28