#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 7.28 -0.98 1.61 0.01 -1.26 -4.94 113.70 115.43 1tk7 s SER 2 Ca 0.00 1.53 -0.06 0.00 1.31 0.00 0.00 55.95 58.73 1tk7 s SER 2 Cb 0.00 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 1tk7 s SER 2 CO 0.00 -0.05 2.32 -2.65 0.41 0.00 0.00 173.24 173.27 1tk7 n PRO 3 N 3.02 2.34 -0.84 12.44 -0.02 -1.26 -4.77 135.00 145.91 1tk7 n PRO 3 Ca -0.00 -1.53 -0.12 0.00 -2.02 0.00 0.00 63.50 59.83 1tk7 n PRO 3 Cb 0.50 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1tk7 n PRO 3 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1tk7 n GLU 4 N 3.94 1.75 -0.10 -0.52 4.07 -1.26 -4.43 120.64 124.09 1tk7 n GLU 4 Ca 0.50 -0.91 -0.01 0.00 -0.06 0.00 0.00 57.16 56.68 1tk7 n GLU 4 Cb 0.19 -1.97 0.24 0.00 -0.06 0.00 0.00 31.44 29.84 1tk7 n GLU 4 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1tk7 h PHE 5 N 3.73 0.76 -1.95 4.31 -5.15 -1.99 -3.43 116.94 113.23 1tk7 h PHE 5 Ca 0.20 -0.05 0.02 0.00 -0.20 0.00 0.00 57.97 57.95 1tk7 h PHE 5 Cb 1.15 -0.23 -0.22 0.00 0.22 0.00 0.00 35.95 36.87 1tk7 h PHE 5 CO 1.67 0.62 0.08 -1.58 -2.00 0.00 0.00 178.31 177.10 1tk7 s HIS 6 N -5.25 -0.98 0.25 6.09 5.65 -1.26 -5.07 115.29 114.71 1tk7 s HIS 6 Ca -0.09 2.00 -0.09 0.00 0.25 0.00 0.00 55.06 57.13 1tk7 s HIS 6 Cb 0.16 0.57 0.40 0.00 -1.18 0.00 0.00 32.58 32.53 1tk7 s HIS 6 CO 0.78 -0.48 1.60 0.52 -0.65 0.00 0.00 174.74 176.51 1tk7 h MET 7 N 6.66 0.02 -1.02 2.88 2.86 -1.95 -0.66 114.93 123.72 1tk7 h MET 7 Ca -0.30 -0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.59 1tk7 h MET 7 Cb 1.22 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.77 1tk7 h MET 7 CO 0.15 0.01 0.63 -0.44 1.06 0.00 0.00 176.91 178.33 1tk7 h ASP 8 N 0.02 0.58 0.00 1.22 5.19 -1.98 -3.45 116.42 118.00 1tk7 h ASP 8 Ca 0.41 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1tk7 h ASP 8 Cb 0.68 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1tk7 h ASP 8 CO -0.81 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 175.44 1tk7 n ALA 9 N -2.40 0.00 -0.28 3.45 0.00 -0.26 -4.41 120.51 116.61 1tk7 n ALA 9 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1tk7 n ALA 9 Cb 0.77 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.31 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 0.00 0.84 0.00 0.00 3.38 -1.87 -3.48 115.31 114.18 1tk7 h LEU 10 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1tk7 h LEU 10 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1tk7 h LEU 10 CO 0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1tk7 n GLY 11 N -1.31 1.96 3.10 0.83 0.00 -1.26 -3.78 105.19 104.73 1tk7 n GLY 11 Ca 0.08 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1tk7 n GLY 11 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tk7 n PRO 12 N 13.15 1.93 -2.70 1.61 -0.02 -1.26 -2.82 135.00 144.89 1tk7 n PRO 12 Ca 0.00 -2.19 -0.02 0.00 -2.02 0.00 0.00 63.50 59.28 1tk7 n PRO 12 Cb 0.00 -3.14 0.03 0.00 -0.02 0.00 0.00 33.50 30.37 1tk7 n PRO 12 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1tk7 s LEU 13 N 2.81 -0.32 0.00 2.45 2.96 -1.25 -3.15 118.68 122.19 1tk7 s LEU 13 Ca 0.56 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1tk7 s LEU 13 Cb 0.12 0.42 0.00 0.00 0.50 0.00 0.00 46.19 47.22 1tk7 s LEU 13 CO 0.07 -0.02 0.85 -2.65 -1.32 0.00 0.00 176.35 173.28 1tk7 n PRO 14 N 2.91 0.47 -3.64 0.98 -0.02 -1.04 -4.67 135.00 129.99 1tk7 n PRO 14 Ca 0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 1tk7 n PRO 14 Cb 0.64 -1.27 0.06 0.00 -0.02 0.00 0.00 33.50 32.92 1tk7 n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1tk7 n ASP 15 N 1.58 -3.31 0.00 2.55 2.03 -1.26 -4.46 116.55 113.68 1tk7 n ASP 15 Ca 0.00 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.62 1tk7 n ASP 15 Cb 0.23 -4.56 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 1tk7 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tk7 n GLY 16 N -1.57 0.61 3.70 0.27 0.00 -1.26 -5.09 105.19 101.84 1tk7 n GLY 16 Ca -0.16 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1tk7 n GLY 16 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1tk7 s TRP 17 N 0.00 2.86 -0.27 1.61 -0.11 -1.26 -1.54 118.94 120.24 1tk7 s TRP 17 Ca 0.00 -0.16 -0.04 0.00 1.22 0.00 0.00 56.10 57.13 1tk7 s TRP 17 Cb 0.00 -1.32 0.15 0.00 -1.50 0.00 0.00 33.47 30.80 1tk7 s TRP 17 CO 0.00 0.56 0.52 -2.00 -4.62 0.00 0.00 176.95 171.41 1tk7 s GLU 18 N -3.42 0.48 -0.30 5.86 2.12 0.53 -2.49 118.70 121.47 1tk7 s GLU 18 Ca 0.30 0.95 -0.12 0.00 0.36 0.00 0.00 54.97 56.47 1tk7 s GLU 18 Cb -0.08 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 1tk7 s GLU 18 CO 0.21 -0.51 0.22 -1.59 -0.54 0.00 0.00 175.26 173.04 1tk7 s LYS 19 N 2.75 3.78 -0.17 4.30 -2.85 -1.19 -0.97 119.74 125.39 1tk7 s LYS 19 Ca 0.11 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1tk7 s LYS 19 Cb -0.14 -3.72 0.03 0.00 -2.06 0.00 0.00 37.83 31.95 1tk7 s LYS 19 CO -0.18 -0.29 -0.10 0.21 0.10 0.00 0.00 175.35 175.10 1tk7 s LYS 20 N 1.76 1.88 -0.03 1.78 2.20 -0.44 -4.68 119.74 122.21 1tk7 s LYS 20 Ca 0.07 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.82 1tk7 s LYS 20 Cb -0.17 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1tk7 s LYS 20 CO 0.11 -0.36 0.78 -1.50 -0.36 0.00 0.00 175.35 174.01 1tk7 s ILE 21 N 1.52 4.95 0.39 5.43 2.07 -1.26 0.19 121.20 134.49 1tk7 s ILE 21 Ca 0.02 1.62 -0.10 0.00 -1.41 0.00 0.00 60.65 60.77 1tk7 s ILE 21 Cb -0.15 -4.12 -0.06 0.00 0.13 0.00 0.00 42.46 38.26 1tk7 s ILE 21 CO -0.09 0.25 0.75 -1.58 -1.91 0.00 0.00 174.94 172.37 1tk7 s GLN 22 N 0.69 3.78 0.43 3.50 0.74 0.20 -4.90 119.66 124.09 1tk7 s GLN 22 Ca 0.41 0.45 0.20 0.00 0.05 0.00 0.00 55.36 56.47 1tk7 s GLN 22 Cb -0.19 -2.41 1.15 0.00 1.10 0.00 0.00 33.01 32.66 1tk7 s GLN 22 CO 0.21 -0.01 1.83 0.66 -0.55 0.00 0.00 175.29 177.43 1tk7 h SER 23 N 1.34 0.36 0.21 6.67 4.64 -1.97 0.47 113.55 125.27 1tk7 h SER 23 Ca -0.47 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1tk7 h SER 23 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tk7 h SER 23 CO 0.64 0.12 0.00 -0.67 -0.87 0.00 0.00 176.83 176.05 1tk7 n ASP 24 N -4.51 0.00 -0.27 4.97 2.03 -1.26 -4.80 116.55 112.71 1tk7 n ASP 24 Ca 0.21 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1tk7 n ASP 24 Cb 0.80 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1tk7 n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1tk7 n ASN 25 N -1.22 -1.36 -4.42 1.67 2.85 0.16 -5.06 115.26 107.89 1tk7 n ASN 25 Ca 0.08 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.17 1tk7 n ASN 25 Cb 0.10 -0.41 -0.12 0.00 1.24 0.00 0.00 39.78 40.60 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 -3.86 3.30 -0.09 1.20 1.81 -1.15 -4.87 118.95 115.28 1tk7 s ARG 26 Ca 0.00 -0.74 -0.19 0.00 -1.72 0.00 0.00 55.73 53.09 1tk7 s ARG 26 Cb 0.00 -3.51 -0.04 0.00 -0.45 0.00 0.00 34.95 30.94 1tk7 s ARG 26 CO 0.00 -0.41 0.50 0.08 -0.68 0.00 0.00 175.30 174.79 1tk7 s VAL 27 N 1.59 5.14 0.21 3.52 1.01 -1.01 0.59 120.40 131.46 1tk7 s VAL 27 Ca 0.04 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.01 1tk7 s VAL 27 Cb -0.17 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1tk7 s VAL 27 CO 0.05 0.35 0.43 -0.31 0.00 0.00 0.00 175.10 175.62 1tk7 s TYR 28 N 0.44 3.48 -0.09 5.22 1.51 0.13 0.37 117.35 128.41 1tk7 s TYR 28 Ca 0.27 0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1tk7 s TYR 28 Cb -0.16 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1tk7 s TYR 28 CO 0.12 0.33 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.81 1tk7 s PHE 29 N -1.89 3.09 -0.30 2.71 0.40 0.29 -1.32 117.98 120.95 1tk7 s PHE 29 Ca 0.40 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1tk7 s PHE 29 Cb -0.11 -1.78 0.14 0.00 0.51 0.00 0.00 43.02 41.78 1tk7 s PHE 29 CO 0.28 0.40 0.33 0.08 0.70 0.00 0.00 175.22 177.01 1tk7 s VAL 30 N -0.77 -0.44 -0.13 -0.44 1.01 -0.15 -2.33 120.40 117.15 1tk7 s VAL 30 Ca 0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1tk7 s VAL 30 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1tk7 s VAL 30 CO 0.02 -0.45 -0.13 0.21 0.00 0.00 0.00 175.10 174.75 1tk7 s ASN 31 N 2.25 4.02 -0.33 3.32 2.47 -0.34 -0.35 114.94 125.98 1tk7 s ASN 31 Ca 0.11 -0.33 0.10 0.00 0.42 0.00 0.00 52.86 53.15 1tk7 s ASN 31 Cb -0.14 -1.61 0.70 0.00 -1.45 0.00 0.00 41.25 38.75 1tk7 s ASN 31 CO -0.28 0.16 1.77 1.41 -3.72 0.00 0.00 177.10 176.44 1tk7 n HIS 32 N 3.55 2.31 0.21 0.43 8.25 -0.59 -0.69 115.22 128.70 1tk7 n HIS 32 Ca -0.18 -1.30 -0.09 0.00 -0.26 0.00 0.00 57.72 55.89 1tk7 n HIS 32 Cb 0.53 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 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 2.24 -0.56 0.00 -0.41 3.64 -1.95 -3.36 116.57 116.17 1tk7 h LYS 33 Ca 0.29 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1tk7 h LYS 33 Cb 2.29 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 34.17 1tk7 h LYS 33 CO 0.72 -0.38 -0.50 0.09 -2.27 0.00 0.00 179.45 177.12 1tk7 n ASN 34 N -4.58 1.63 -2.34 4.20 5.03 -1.26 -5.04 115.26 112.90 1tk7 n ASN 34 Ca -0.07 -3.36 -0.01 0.00 0.87 0.00 0.00 54.58 52.00 1tk7 n ASN 34 Cb 0.23 -0.46 -0.01 0.00 -1.02 0.00 0.00 39.78 38.52 1tk7 n ASN 34 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1tk7 n ARG 35 N -0.86 -4.85 -3.67 3.52 1.74 -1.25 -5.07 116.66 106.22 1tk7 n ARG 35 Ca 0.15 3.57 -0.15 0.00 -0.77 0.00 0.00 57.85 60.65 1tk7 n ARG 35 Cb 0.76 -4.61 -0.15 0.00 -1.02 0.00 0.00 32.46 27.44 1tk7 n ARG 35 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1tk7 s THR 36 N -0.58 -0.29 0.10 0.55 -4.23 0.14 -5.01 115.64 106.31 1tk7 s THR 36 Ca -0.06 0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.87 1tk7 s THR 36 Cb 0.00 -0.34 -0.04 0.00 1.34 0.00 0.00 72.50 73.46 1tk7 s THR 36 CO 0.16 0.13 -0.25 -0.89 -0.54 0.00 0.00 174.62 173.23 1tk7 s THR 37 N 2.25 2.04 -0.26 3.99 2.01 -1.26 -1.20 115.64 123.20 1tk7 s THR 37 Ca 0.01 -1.61 -0.28 0.00 0.31 0.00 0.00 61.69 60.13 1tk7 s THR 37 Cb -0.12 -1.81 0.17 0.00 0.01 0.00 0.00 72.50 70.75 1tk7 s THR 37 CO -0.07 0.09 1.27 -1.58 -0.69 0.00 0.00 174.62 173.65 1tk7 s GLN 38 N -1.84 0.22 0.20 4.92 0.74 -0.99 -4.95 119.66 117.96 1tk7 s GLN 38 Ca 0.11 0.13 -0.02 0.00 0.05 0.00 0.00 55.36 55.63 1tk7 s GLN 38 Cb -0.10 0.11 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 1tk7 s GLN 38 CO 0.05 -0.05 0.41 1.67 -0.55 0.00 0.00 175.29 176.81 1tk7 s TRP 39 N -0.58 3.48 0.00 1.67 -2.14 -1.26 0.10 118.94 120.21 1tk7 s TRP 39 Ca 0.06 0.44 0.00 0.00 2.66 0.00 0.00 56.10 59.26 1tk7 s TRP 39 Cb -0.03 -1.93 0.00 0.00 -3.10 0.00 0.00 33.47 28.42 1tk7 s TRP 39 CO -0.08 0.36 0.00 0.39 -2.66 0.00 0.00 176.95 174.96 1tk7 n GLU 40 N -0.50 0.00 -3.70 3.25 1.02 0.16 -4.92 120.64 115.95 1tk7 n GLU 40 Ca -0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 1tk7 n GLU 40 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.85 1tk7 n GLU 40 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1tk7 s ASP 41 N -4.00 -0.53 0.00 1.62 1.47 -1.26 -2.40 116.67 111.57 1tk7 s ASP 41 Ca 0.00 0.94 -0.00 0.00 1.18 0.00 0.00 52.55 54.66 1tk7 s ASP 41 Cb 0.00 0.85 -0.01 0.00 -0.34 0.00 0.00 42.92 43.43 1tk7 s ASP 41 CO 0.00 -0.19 0.70 -2.65 0.68 0.00 0.00 175.17 173.71 1tk7 n PRO 42 N 3.86 0.34 0.00 2.11 -0.02 -1.26 -4.59 135.00 135.43 1tk7 n PRO 42 Ca -0.20 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1tk7 n PRO 42 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1tk7 n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1tk7 n ARG 43 N 1.92 0.00 -2.49 -0.52 3.00 -1.26 -3.68 116.66 113.64 1tk7 n ARG 43 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.74 1tk7 n ARG 43 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.66 1tk7 n ARG 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1tk7 n THR 44 N 0.00 1.80 -3.71 5.15 5.66 -1.26 -5.02 114.28 116.89 1tk7 n THR 44 Ca 0.00 -3.62 -0.11 0.00 -3.05 0.00 0.00 64.05 57.27 1tk7 n THR 44 Cb 0.00 0.08 -0.12 0.00 -1.55 0.00 0.00 70.33 68.74 1tk7 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1tk7 s GLN 45 N -3.62 0.31 0.00 1.09 -1.52 -1.26 -5.03 119.66 109.64 1tk7 s GLN 45 Ca 0.38 0.69 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 1tk7 s GLN 45 Cb 0.38 -0.06 0.00 0.00 -0.22 0.00 0.00 33.01 33.11 1tk7 s GLN 45 CO -0.02 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 1tk7 n GLY 46 N 4.28 0.00 0.16 3.09 0.00 -1.26 -4.61 105.19 106.84 1tk7 n GLY 46 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1tk7 n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tk7 h GLN 47 N 0.00 0.38 0.00 1.61 1.08 -1.95 -3.48 115.11 112.75 1tk7 h GLN 47 Ca 0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1tk7 h GLN 47 Cb 0.93 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1tk7 h GLN 47 CO 0.00 1.06 0.00 0.39 -0.95 0.00 0.00 178.83 179.33 1tk7 n GLU 48 N -3.75 0.00 0.00 1.46 1.02 -1.26 -4.88 120.64 113.22 1tk7 n GLU 48 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1tk7 n GLU 48 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.22 1tk7 n GLU 48 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1tk7 n VAL 49 N 0.00 0.00 -0.04 2.62 0.31 -1.26 -4.22 118.33 115.74 1tk7 n VAL 49 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1tk7 n VAL 49 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 1tk7 n VAL 49 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1tk7 h SER 50 N 0.00 0.66 -0.46 4.52 0.87 -2.02 -1.70 113.55 115.42 1tk7 h SER 50 Ca 0.00 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.19 1tk7 h SER 50 Cb 0.00 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.71 1tk7 h SER 50 CO 0.00 0.91 0.15 0.18 -0.53 0.00 0.00 176.83 177.54 1tk7 n LEU 51 N -4.10 4.48 0.04 2.23 7.99 -1.26 -4.32 117.00 122.06 1tk7 n LEU 51 Ca -0.00 -2.31 -0.13 0.00 -0.01 0.00 0.00 56.01 53.55 1tk7 n LEU 51 Cb 0.44 -0.65 -0.14 0.00 -0.11 0.00 0.00 43.42 42.96 1tk7 n LEU 51 CO 0.44 0.62 -0.29 0.40 -1.51 0.00 0.00 177.39 177.04 1tk7 h ILE 52 N 1.79 1.18 -0.09 -0.08 1.08 -1.62 -3.37 117.51 116.41 1tk7 h ILE 52 Ca 0.15 -2.89 0.03 0.00 -0.39 0.00 0.00 64.86 61.76 1tk7 h ILE 52 Cb 1.70 2.70 -0.06 0.00 -3.07 0.00 0.00 36.82 38.09 1tk7 h ILE 52 CO 0.45 0.78 -0.50 0.78 -0.69 0.00 0.00 178.15 178.97 1tk7 h ASN 53 N 0.04 -1.58 -0.27 1.72 4.21 -1.76 -3.08 115.58 114.85 1tk7 h ASN 53 Ca -0.21 0.18 -0.22 0.00 1.21 0.00 0.00 56.30 57.26 1tk7 h ASN 53 Cb 1.97 0.61 -0.01 0.00 -1.12 0.00 0.00 38.32 39.76 1tk7 h ASN 53 CO 0.14 -0.46 0.70 -1.84 -1.29 0.00 0.00 177.43 174.68 1tk7 n GLU 54 N -5.20 0.94 0.34 0.81 0.00 -1.26 -4.78 120.64 111.49 1tk7 n GLU 54 Ca -0.06 -2.09 -0.17 0.00 0.00 0.00 0.00 57.16 54.83 1tk7 n GLU 54 Cb 0.35 -3.75 -0.09 0.00 0.00 0.00 0.00 31.44 27.95 1tk7 n GLU 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1tk7 h GLY 55 N 19.60 -0.87 0.63 -1.84 0.00 -1.80 -3.29 103.07 115.51 1tk7 h GLY 55 Ca 0.14 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1tk7 h GLY 55 CO 1.19 -0.32 -0.12 -2.55 0.00 0.00 0.00 176.54 174.74 1tk7 h PRO 56 N -0.84 -0.32 -6.66 4.80 0.11 -1.83 -3.35 132.00 123.91 1tk7 h PRO 56 Ca -0.09 0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.47 1tk7 h PRO 56 Cb 0.64 0.07 0.11 0.00 0.11 0.00 0.00 31.00 31.94 1tk7 h PRO 56 CO 0.14 0.01 0.34 1.28 -0.21 0.00 0.00 178.00 179.56 1tk7 n LEU 57 N -5.08 2.92 -4.78 2.35 4.77 -1.24 -3.80 117.00 112.14 1tk7 n LEU 57 Ca -0.09 1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 56.72 1tk7 n LEU 57 Cb 0.25 -1.41 0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1tk7 n LEU 57 CO 0.30 -0.93 0.75 -2.16 -1.33 0.00 0.00 177.39 174.02 1tk7 s PRO 58 N -1.83 3.29 0.58 3.23 0.04 -1.26 -4.84 135.00 134.20 1tk7 s PRO 58 Ca 0.58 1.42 0.29 0.00 0.04 0.00 0.00 61.00 63.32 1tk7 s PRO 58 Cb -0.60 -2.01 1.49 0.00 0.04 0.00 0.00 34.50 33.42 1tk7 s PRO 58 CO 0.60 -0.86 1.93 -1.00 0.04 0.00 0.00 177.00 177.71 1tk7 h PRO 59 N 0.80 0.00 -0.96 0.56 0.13 -1.86 -2.37 132.00 128.30 1tk7 h PRO 59 Ca -0.48 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.89 1tk7 h PRO 59 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1tk7 h PRO 59 CO 0.57 0.00 0.65 0.78 -0.23 0.00 0.00 178.00 179.76 1tk7 h GLY 60 N 0.00 0.68 -1.96 1.56 0.00 -1.88 -3.41 103.07 98.06 1tk7 h GLY 60 Ca 0.21 -0.13 -0.59 0.00 0.00 0.00 0.00 47.33 46.82 1tk7 h GLY 60 CO -0.00 -0.04 -0.58 0.66 0.00 0.00 0.00 176.54 176.58 1tk7 s TRP 61 N -5.30 2.56 0.12 5.60 1.48 -0.89 -4.16 118.94 118.34 1tk7 s TRP 61 Ca -0.07 -0.53 0.06 0.00 -1.06 0.00 0.00 56.10 54.50 1tk7 s TRP 61 Cb 0.23 -1.68 -0.04 0.00 -1.16 0.00 0.00 33.47 30.82 1tk7 s TRP 61 CO 0.79 0.39 -0.15 -1.83 -4.06 0.00 0.00 176.95 172.09 1tk7 s GLU 62 N -3.77 1.01 -0.23 3.25 -1.05 0.15 -4.89 118.70 113.18 1tk7 s GLU 62 Ca 0.37 -1.21 -0.16 0.00 -0.15 0.00 0.00 54.97 53.82 1tk7 s GLU 62 Cb 0.03 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.75 1tk7 s GLU 62 CO 0.20 0.19 0.39 0.96 0.95 0.00 0.00 175.26 177.95 1tk7 s ILE 63 N -1.99 5.19 -0.32 1.83 -0.00 -1.25 0.43 121.20 125.09 1tk7 s ILE 63 Ca 0.08 0.66 -0.17 0.00 -0.00 0.00 0.00 60.65 61.22 1tk7 s ILE 63 Cb -0.06 -3.72 -0.02 0.00 -0.00 0.00 0.00 42.46 38.67 1tk7 s ILE 63 CO 0.03 0.22 0.47 -0.60 -0.00 0.00 0.00 174.94 175.06 1tk7 s ARG 64 N 1.59 3.78 -0.42 0.37 3.52 0.13 -4.78 118.95 123.14 1tk7 s ARG 64 Ca 0.18 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.44 1tk7 s ARG 64 Cb -0.15 -3.75 0.02 0.00 -1.56 0.00 0.00 34.95 29.51 1tk7 s ARG 64 CO 0.08 -0.50 1.21 1.52 -0.81 0.00 0.00 175.30 176.80 1tk7 s TYR 65 N 2.28 2.75 0.03 5.12 -0.85 -1.26 0.53 117.35 125.95 1tk7 s TYR 65 Ca 0.18 0.79 -0.18 0.00 -0.52 0.00 0.00 57.07 57.34 1tk7 s TYR 65 Cb -0.16 -4.24 -0.06 0.00 0.38 0.00 0.00 41.96 37.88 1tk7 s TYR 65 CO 0.12 -1.41 0.53 0.99 -1.52 0.00 0.00 175.55 174.25 1tk7 s THR 66 N 4.56 4.86 0.47 -3.49 2.01 0.07 -4.95 115.64 119.17 1tk7 s THR 66 Ca 0.52 1.12 0.33 0.00 0.31 0.00 0.00 61.69 63.96 1tk7 s THR 66 Cb -0.10 -3.85 0.53 0.00 0.01 0.00 0.00 72.50 69.08 1tk7 s THR 66 CO 0.29 0.53 1.67 0.00 -0.69 0.00 0.00 174.62 176.42 1tk7 h ALA 67 N 4.86 2.92 0.00 7.40 0.00 -1.95 0.61 119.26 133.10 1tk7 h ALA 67 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tk7 h ALA 67 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1tk7 h ALA 67 CO 0.64 -1.45 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1tk7 n ALA 68 N -2.63 1.55 0.00 0.00 0.00 -1.26 -4.82 120.51 113.35 1tk7 n ALA 68 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1tk7 n ALA 68 Cb 1.41 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.32 3.72 0.00 0.00 0.21 -5.10 105.19 105.09 1tk7 n GLY 69 Ca 0.02 0.00 -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 -0.54 0.00 0.00 0.00 173.32 172.78 1tk7 s GLU 70 N -0.06 3.90 -0.62 1.61 8.01 -1.13 -4.90 118.70 125.51 1tk7 s GLU 70 Ca 0.00 -0.26 -0.24 0.00 0.01 0.00 0.00 54.97 54.48 1tk7 s GLU 70 Cb 0.00 -3.27 0.05 0.00 -4.31 0.00 0.00 34.13 26.60 1tk7 s GLU 70 CO 0.00 0.41 1.01 1.03 0.01 0.00 0.00 175.26 177.72 1tk7 s ARG 71 N 0.02 3.23 0.75 1.61 1.81 -1.26 -0.75 118.95 124.36 1tk7 s ARG 71 Ca 0.08 -0.45 -0.12 0.00 -1.72 0.00 0.00 55.73 53.52 1tk7 s ARG 71 Cb -0.12 -4.14 0.04 0.00 -0.45 0.00 0.00 34.95 30.29 1tk7 s ARG 71 CO 0.00 -1.72 1.13 -0.06 -0.68 0.00 0.00 175.30 173.97 1tk7 s PHE 72 N 4.31 3.14 -0.19 -0.53 0.40 0.19 -4.71 117.98 120.58 1tk7 s PHE 72 Ca 0.29 0.94 -0.11 0.00 -0.60 0.00 0.00 56.93 57.44 1tk7 s PHE 72 Cb -0.13 -3.23 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1tk7 s PHE 72 CO 0.15 -1.47 0.20 0.12 0.70 0.00 0.00 175.22 174.92 1tk7 s PHE 73 N -3.42 3.41 -0.24 0.36 5.36 0.27 0.20 117.98 123.92 1tk7 s PHE 73 Ca 0.60 0.41 -0.02 0.00 -0.96 0.00 0.00 56.93 56.96 1tk7 s PHE 73 Cb -0.11 -2.25 0.07 0.00 -0.34 0.00 0.00 43.02 40.39 1tk7 s PHE 73 CO 0.51 0.23 0.04 0.08 -1.46 0.00 0.00 175.22 174.62 1tk7 s VAL 74 N 0.54 0.79 0.01 3.12 1.01 0.17 -0.91 120.40 125.12 1tk7 s VAL 74 Ca 0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1tk7 s VAL 74 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1tk7 s VAL 74 CO 0.01 -0.35 0.16 1.51 0.00 0.00 0.00 175.10 176.43 1tk7 s ASP 75 N 1.71 6.16 -0.36 3.32 1.47 -0.43 0.32 116.67 128.86 1tk7 s ASP 75 Ca 0.02 0.26 0.11 0.00 1.18 0.00 0.00 52.55 54.12 1tk7 s ASP 75 Cb -0.17 -1.87 0.45 0.00 -0.34 0.00 0.00 42.92 40.98 1tk7 s ASP 75 CO -0.14 0.24 1.08 0.00 0.68 0.00 0.00 175.17 177.04 1tk7 n HIS 76 N 0.83 2.45 -0.04 2.11 1.44 -1.26 -2.03 115.22 118.72 1tk7 n HIS 76 Ca -0.10 -2.74 -0.04 0.00 -2.01 0.00 0.00 57.72 52.82 1tk7 n HIS 76 Cb 0.52 -0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.34 1tk7 n HIS 76 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1tk7 n ASN 77 N -0.43 3.03 0.00 4.39 0.23 -1.26 -4.64 115.26 116.57 1tk7 n ASN 77 Ca 0.29 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1tk7 n ASN 77 Cb 0.78 0.60 0.00 0.00 -2.08 0.00 0.00 39.78 39.08 1tk7 n ASN 77 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1tk7 n THR 78 N -2.35 0.00 -2.62 5.53 -1.04 -1.26 -5.08 114.28 107.45 1tk7 n THR 78 Ca -0.14 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.05 61.53 1tk7 n THR 78 Cb 0.76 1.19 -0.01 0.00 -1.82 0.00 0.00 70.33 70.45 1tk7 n THR 78 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1tk7 n ARG 79 N -0.28 -3.54 -3.65 -2.82 3.00 -1.20 -5.07 116.66 103.10 1tk7 n ARG 79 Ca 0.00 2.81 -0.07 0.00 -0.00 0.00 0.00 57.85 60.59 1tk7 n ARG 79 Cb 0.05 -5.08 -0.07 0.00 0.00 0.00 0.00 32.46 27.36 1tk7 n ARG 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1tk7 s ARG 80 N -1.36 0.64 0.04 -0.14 3.52 -0.86 -5.01 118.95 115.79 1tk7 s ARG 80 Ca -0.06 1.20 0.09 0.00 -0.13 0.00 0.00 55.73 56.83 1tk7 s ARG 80 Cb 0.00 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1tk7 s ARG 80 CO 0.74 -0.16 -0.24 0.95 -0.81 0.00 0.00 175.30 175.78 1tk7 s THR 81 N 1.81 1.98 -0.10 4.11 -4.23 -1.26 -1.31 115.64 116.63 1tk7 s THR 81 Ca -0.09 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.81 1tk7 s THR 81 Cb -0.07 -1.69 0.11 0.00 1.34 0.00 0.00 72.50 72.19 1tk7 s THR 81 CO -0.19 0.33 0.89 -0.89 -0.54 0.00 0.00 174.62 174.21 1tk7 s THR 82 N -0.79 0.00 0.14 3.99 2.01 -0.09 -4.98 115.64 115.93 1tk7 s THR 82 Ca 0.10 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 1tk7 s THR 82 Cb -0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1tk7 s THR 82 CO 0.02 0.00 1.79 0.15 -0.69 0.00 0.00 174.62 175.89 1tk7 h PHE 83 N 2.61 0.46 0.00 4.92 3.57 -1.94 0.79 116.94 127.36 1tk7 h PHE 83 Ca -0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1tk7 h PHE 83 Cb 1.17 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1tk7 h PHE 83 CO 0.31 0.31 0.00 0.39 -2.23 0.00 0.00 178.31 177.09 1tk7 n GLU 84 N -4.82 2.36 0.00 1.11 1.02 -1.26 -4.07 120.64 114.98 1tk7 n GLU 84 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1tk7 n GLU 84 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1tk7 n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tk7 n ASP 85 N 0.00 0.00 0.00 1.62 -0.08 -1.21 -4.49 116.55 112.39 1tk7 n ASP 85 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1tk7 n ASP 85 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1tk7 n ASP 85 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1tk7 n PRO 86 N 0.00 0.00 0.06 -0.67 -0.02 -1.26 -4.70 135.00 128.41 1tk7 n PRO 86 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1tk7 n PRO 86 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 1tk7 n PRO 86 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1tk7 h ARG 87 N 0.00 -0.11 0.00 -0.52 2.43 -1.99 -3.54 114.38 110.65 1tk7 h ARG 87 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1tk7 h ARG 87 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1tk7 h ARG 87 CO 0.00 0.11 0.00 -2.30 -1.51 0.00 0.00 179.97 176.27