#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tx6 n PRO 6 N 0.00 0.42 -3.58 5.56 -0.02 -1.26 -4.69 135.00 131.43 1tx6 n PRO 6 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1tx6 n PRO 6 Cb 0.00 -1.01 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 1tx6 n PRO 6 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1tx6 s TRP 7 N -1.97 -0.69 0.18 6.00 -2.14 -1.26 -3.17 118.94 115.89 1tx6 s TRP 7 Ca 0.00 1.45 0.07 0.00 2.66 0.00 0.00 56.10 60.28 1tx6 s TRP 7 Cb 0.00 0.35 0.04 0.00 -3.10 0.00 0.00 33.47 30.76 1tx6 s TRP 7 CO 0.00 -0.47 1.42 0.87 -2.66 0.00 0.00 176.95 176.11 1tx6 h LYS 8 N 3.91 0.05 -3.18 3.25 1.57 -1.95 -3.47 116.57 116.74 1tx6 h LYS 8 Ca -0.27 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1tx6 h LYS 8 Cb 1.15 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.35 1tx6 h LYS 8 CO 0.22 0.85 0.08 0.00 -0.57 0.00 0.00 179.45 180.03 1tx6 h ASP 11 N 7.89 0.00 -2.25 0.00 3.32 -1.90 -3.36 116.42 120.12 1tx6 h ASP 11 Ca -0.21 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.25 1tx6 h ASP 11 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 1tx6 h ASP 11 CO 0.17 0.63 -0.88 -0.62 -1.72 0.00 0.00 179.24 176.82 1tx6 n GLU 12 N -3.46 1.26 -2.92 3.56 1.02 -1.26 -4.96 120.64 113.87 1tx6 n GLU 12 Ca 0.00 -3.77 -0.43 0.00 -0.02 0.00 0.00 57.16 52.94 1tx6 n GLU 12 Cb 0.70 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1tx6 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tx6 s ALA 13 N -1.36 3.22 -0.25 0.62 0.00 -1.26 -1.12 121.76 121.61 1tx6 s ALA 13 Ca 0.35 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1tx6 s ALA 13 Cb 0.12 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1tx6 s ALA 13 CO -0.11 -2.25 1.08 0.08 0.00 0.00 0.00 175.76 174.57 1tx6 s VAL 14 N 3.59 4.56 -0.05 0.00 1.01 -0.68 -4.88 120.40 123.95 1tx6 s VAL 14 Ca 0.27 1.86 0.03 0.00 0.00 0.00 0.00 61.98 64.14 1tx6 s VAL 14 Cb -0.14 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1tx6 s VAL 14 CO 0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 175.10 174.88 1tx6 s THR 16 N 0.48 2.43 -0.47 0.00 -4.23 -0.48 -4.89 115.64 108.48 1tx6 s THR 16 Ca -0.10 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1tx6 s THR 16 Cb -0.14 -2.43 0.50 0.00 1.34 0.00 0.00 72.50 71.77 1tx6 s THR 16 CO 0.03 -0.18 1.72 0.54 -0.54 0.00 0.00 174.62 176.18 1tx6 n ARG 17 N -4.17 2.65 -2.55 3.99 1.74 -1.26 -4.17 116.66 112.89 1tx6 n ARG 17 Ca 0.07 -3.42 -0.20 0.00 -0.77 0.00 0.00 57.85 53.53 1tx6 n ARG 17 Cb 0.54 -2.18 0.09 0.00 -1.02 0.00 0.00 32.46 29.89 1tx6 n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1tx6 n SER 18 N -0.95 1.51 -3.95 0.55 3.41 -1.26 -5.00 113.62 107.93 1tx6 n SER 18 Ca 0.52 -2.18 -0.30 0.00 -0.26 0.00 0.00 58.87 56.65 1tx6 n SER 18 Cb 0.97 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 64.26 1tx6 n SER 18 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1tx6 s ILE 19 N -2.56 1.57 0.80 -1.33 1.01 -1.26 -2.50 121.20 116.93 1tx6 s ILE 19 Ca 0.58 -1.25 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1tx6 s ILE 19 Cb -0.04 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.68 1tx6 s ILE 19 CO 0.38 -0.10 1.15 -2.84 0.00 0.00 0.00 174.94 173.53 1tx6 s PRO 20 N 1.38 2.04 0.55 2.79 0.02 -1.26 -5.13 135.00 135.39 1tx6 s PRO 20 Ca -0.06 0.23 -0.15 0.00 0.02 0.00 0.00 61.00 61.03 1tx6 s PRO 20 Cb -0.19 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 1tx6 s PRO 20 CO -0.06 -1.56 1.01 -1.25 -0.33 0.00 0.00 177.00 174.81 1tx6 s PRO 21 N -5.48 3.72 -0.27 5.54 0.04 -1.04 -4.83 135.00 132.68 1tx6 s PRO 21 Ca 0.61 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1tx6 s PRO 21 Cb -0.12 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1tx6 s PRO 21 CO 0.50 -0.47 -0.02 0.42 0.04 0.00 0.00 177.00 177.48 1tx6 s ILE 22 N -2.67 3.10 0.18 0.56 1.01 -1.26 -0.99 121.20 121.13 1tx6 s ILE 22 Ca 0.59 -1.06 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1tx6 s ILE 22 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1tx6 s ILE 22 CO 0.36 0.10 -0.14 0.00 0.00 0.00 0.00 174.94 175.26 1tx6 s THR 24 N -1.68 0.08 -0.25 0.00 2.01 -0.43 -0.01 115.64 115.36 1tx6 s THR 24 Ca 0.23 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 1tx6 s THR 24 Cb -0.09 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1tx6 s THR 24 CO 0.13 0.12 0.91 0.00 -0.69 0.00 0.00 174.62 175.09 1tx6 n MET 26 N 6.16 1.46 -1.68 0.00 2.81 -0.28 -4.23 117.12 121.36 1tx6 n MET 26 Ca 0.08 -0.72 -0.45 0.00 -1.81 0.00 0.00 57.70 54.80 1tx6 n MET 26 Cb 0.47 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1tx6 n MET 26 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1tx6 n ASP 27 N -0.14 2.96 -4.71 7.83 8.00 -1.26 -4.90 116.55 124.32 1tx6 n ASP 27 Ca 0.20 1.13 -0.42 0.00 0.71 0.00 0.00 54.79 56.41 1tx6 n ASP 27 Cb 0.30 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.92 1tx6 n ASP 27 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tx6 s GLU 28 N -0.20 4.39 0.21 -1.24 2.12 -1.26 -4.31 118.70 118.41 1tx6 s GLU 28 Ca 0.69 1.87 0.11 0.00 0.36 0.00 0.00 54.97 58.00 1tx6 s GLU 28 Cb -0.63 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 1tx6 s GLU 28 CO 0.47 -0.33 -0.22 0.14 -0.54 0.00 0.00 175.26 174.79 1tx6 s VAL 29 N 1.16 2.46 0.00 3.70 -7.23 0.28 -4.98 120.40 115.79 1tx6 s VAL 29 Ca 0.61 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1tx6 s VAL 29 Cb -0.32 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1tx6 s VAL 29 CO 0.29 -0.17 0.00 0.49 -0.31 0.00 0.00 175.10 175.40 1tx6 n PHE 30 N 0.06 0.00 -3.11 2.82 3.01 -1.26 -4.39 117.46 114.58 1tx6 n PHE 30 Ca -0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.95 1tx6 n PHE 30 Cb 0.57 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 1tx6 n PHE 30 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1tx6 s GLU 31 N -0.77 4.24 0.00 -1.08 2.12 -1.26 -5.08 118.70 116.87 1tx6 s GLU 31 Ca 0.00 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1tx6 s GLU 31 Cb 0.00 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1tx6 s GLU 31 CO 0.00 -0.20 0.00 0.00 -0.54 0.00 0.00 175.26 174.52 1tx6 n THR 35 N -0.01 0.00 -2.63 0.00 -2.24 -1.26 -5.12 114.28 103.02 1tx6 n THR 35 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1tx6 n THR 35 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1tx6 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tx6 n LYS 37 N 0.89 0.71 -3.67 0.00 4.76 -1.26 -4.92 118.16 114.67 1tx6 n LYS 37 Ca 0.00 -0.13 -0.22 0.00 -2.87 0.00 0.00 58.31 55.09 1tx6 n LYS 37 Cb 0.47 -1.48 -0.18 0.00 -1.84 0.00 0.00 35.03 32.01 1tx6 n LYS 37 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1tx6 s SER 38 N -4.59 1.56 0.10 4.39 0.15 -1.26 -5.10 113.70 108.96 1tx6 s SER 38 Ca -0.08 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1tx6 s SER 38 Cb 0.11 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1tx6 s SER 38 CO 0.81 -0.27 -0.18 0.00 1.20 0.00 0.00 173.24 174.81 1tx6 n GLY 40 N 0.92 -1.27 3.72 0.00 0.00 0.52 -4.86 105.19 104.21 1tx6 n GLY 40 Ca -0.16 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1tx6 n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tx6 s PRO 41 N -0.63 1.60 0.25 1.61 0.02 -1.26 0.44 135.00 137.03 1tx6 s PRO 41 Ca 0.00 1.30 -0.21 0.00 0.02 0.00 0.00 61.00 62.11 1tx6 s PRO 41 Cb 0.00 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.74 1tx6 s PRO 41 CO 0.00 -2.15 0.68 0.45 -0.33 0.00 0.00 177.00 175.66 1tx6 s SER 42 N -3.07 -0.32 -1.61 2.53 0.15 -0.43 -4.72 113.70 106.24 1tx6 s SER 42 Ca 0.64 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1tx6 s SER 42 Cb -0.20 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1tx6 s SER 42 CO 0.57 -1.26 0.00 0.23 1.20 0.00 0.00 173.24 173.98 1tx6 n MET 43 N -0.44 -1.57 0.00 5.44 2.81 -1.26 -1.30 117.12 120.80 1tx6 n MET 43 Ca -0.07 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 1tx6 n MET 43 Cb 0.60 -5.32 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1tx6 n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tx6 n GLY 44 N -0.51 1.31 3.60 3.03 0.00 -1.26 -4.92 105.19 106.45 1tx6 n GLY 44 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1tx6 n GLY 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tx6 s ASP 45 N 0.00 5.81 0.48 1.61 3.68 -0.42 -4.86 116.67 122.97 1tx6 s ASP 45 Ca 0.00 1.51 0.13 0.00 2.13 0.00 0.00 52.55 56.32 1tx6 s ASP 45 Cb 0.00 -2.52 1.11 0.00 -1.45 0.00 0.00 42.92 40.06 1tx6 s ASP 45 CO 0.00 -1.74 2.11 -0.65 0.13 0.00 0.00 175.17 175.02 1tx6 h PRO 46 N 13.29 0.18 0.00 4.34 0.11 -1.91 -1.04 132.00 146.97 1tx6 h PRO 46 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1tx6 h PRO 46 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1tx6 h PRO 46 CO 1.01 0.13 0.00 0.45 -0.21 0.00 0.00 178.00 179.38 1tx6 n SER 47 N -4.50 0.00 -4.43 -2.05 2.88 -1.26 -4.40 113.62 99.86 1tx6 n SER 47 Ca -0.01 -0.07 -0.44 0.00 -1.33 0.00 0.00 58.87 57.02 1tx6 n SER 47 Cb 0.09 -0.29 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 1tx6 n SER 47 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1tx6 s ARG 48 N -2.57 3.98 -0.16 -1.46 1.81 -0.40 -5.00 118.95 115.14 1tx6 s ARG 48 Ca 0.24 -2.51 -0.29 0.00 -1.72 0.00 0.00 55.73 51.44 1tx6 s ARG 48 Cb 0.17 -4.91 -0.01 0.00 -0.45 0.00 0.00 34.95 29.75 1tx6 s ARG 48 CO 0.38 -1.65 1.09 0.50 -0.68 0.00 0.00 175.30 174.94 1tx6 s ARG 49 N 1.25 4.31 0.11 3.54 3.52 -1.26 -1.31 118.95 129.12 1tx6 s ARG 49 Ca 0.37 1.46 -0.01 0.00 -0.13 0.00 0.00 55.73 57.43 1tx6 s ARG 49 Cb -0.05 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1tx6 s ARG 49 CO -0.04 -0.53 0.02 0.96 -0.81 0.00 0.00 175.30 174.90 1tx6 s ILE 50 N 2.79 0.21 -0.26 4.11 -4.36 0.17 0.10 121.20 123.95 1tx6 s ILE 50 Ca 0.49 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.70 1tx6 s ILE 50 Cb -0.18 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.65 1tx6 s ILE 50 CO 0.13 -0.63 1.04 0.00 0.24 0.00 0.00 174.94 175.72 1tx6 n GLN 52 N 6.49 0.77 -1.97 0.00 6.02 0.32 -4.41 117.38 124.59 1tx6 n GLN 52 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1tx6 n GLN 52 Cb 0.46 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 1tx6 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tx6 s ASP 53 N -2.23 6.63 0.32 1.08 1.01 -1.25 -4.98 116.67 117.24 1tx6 s ASP 53 Ca 0.40 2.55 -0.02 0.00 0.71 0.00 0.00 52.55 56.19 1tx6 s ASP 53 Cb 0.21 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1tx6 s ASP 53 CO 0.41 -0.81 0.54 -1.10 0.21 0.00 0.00 175.17 174.42 1tx6 s GLN 54 N 1.42 3.55 -0.13 8.23 -0.21 -1.26 -4.21 119.66 127.05 1tx6 s GLN 54 Ca 0.70 -0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.83 1tx6 s GLN 54 Cb -0.42 -2.66 0.05 0.00 1.00 0.00 0.00 33.01 30.98 1tx6 s GLN 54 CO 0.31 0.18 0.30 -0.47 -2.12 0.00 0.00 175.29 173.50 1tx6 s TYR 55 N -2.20 -0.41 -0.37 0.91 5.04 0.98 -4.96 117.35 116.33 1tx6 s TYR 55 Ca 0.42 0.94 -0.23 0.00 -2.44 0.00 0.00 57.07 55.75 1tx6 s TYR 55 Cb -0.10 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.34 1tx6 s TYR 55 CO 0.33 -0.26 0.80 0.08 -1.34 0.00 0.00 175.55 175.17 1tx6 s VAL 56 N 1.21 4.70 -2.59 3.14 1.01 -1.26 -0.75 120.40 125.86 1tx6 s VAL 56 Ca -0.09 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1tx6 s VAL 56 Cb -0.09 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1tx6 s VAL 56 CO -0.09 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1tx6 n GLY 57 N 4.56 0.87 3.68 4.51 0.00 -0.16 -4.96 105.19 113.69 1tx6 n GLY 57 Ca 0.03 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1tx6 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tx6 n ASP 58 N 1.55 4.06 0.10 1.61 4.64 -1.26 -4.68 116.55 122.57 1tx6 n ASP 58 Ca 0.00 0.95 0.09 0.00 -1.38 0.00 0.00 54.79 54.45 1tx6 n ASP 58 Cb 0.00 -1.53 0.41 0.00 -1.04 0.00 0.00 41.12 38.97 1tx6 n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1tx6 n PRO 59 N 6.39 0.11 0.00 -0.67 -0.04 -1.26 -4.99 135.00 134.54 1tx6 n PRO 59 Ca 0.19 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1tx6 n PRO 59 Cb 0.38 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1tx6 n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tx6 n GLY 60 N -0.68 -2.58 3.63 0.55 0.00 -1.26 -4.70 105.19 100.14 1tx6 n GLY 60 Ca 0.01 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1tx6 n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tx6 s PRO 61 N -0.58 0.19 0.76 1.61 0.04 -1.26 -4.79 135.00 130.96 1tx6 s PRO 61 Ca 0.00 0.73 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 1tx6 s PRO 61 Cb 0.00 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.97 1tx6 s PRO 61 CO 0.00 -2.95 1.05 0.96 0.04 0.00 0.00 177.00 176.11 1tx6 s ILE 62 N -2.79 2.17 -0.23 0.56 -4.36 -1.26 -1.79 121.20 113.51 1tx6 s ILE 62 Ca 0.66 -0.41 -0.11 0.00 -0.26 0.00 0.00 60.65 60.54 1tx6 s ILE 62 Cb -0.21 -2.76 -0.18 0.00 1.25 0.00 0.00 42.46 40.56 1tx6 s ILE 62 CO 0.60 0.00 -0.05 0.00 0.24 0.00 0.00 174.94 175.73 1tx6 s ARG 64 N -2.49 2.12 0.00 0.00 1.70 -1.26 -4.92 118.95 114.10 1tx6 s ARG 64 Ca -0.32 1.88 0.29 0.00 -0.47 0.00 0.00 55.73 57.10 1tx6 s ARG 64 Cb 0.10 -1.82 1.69 0.00 -0.57 0.00 0.00 34.95 34.35 1tx6 s ARG 64 CO 0.60 -1.88 2.09 -0.35 -1.08 0.00 0.00 175.30 174.68 1tx6 n PRO 65 N -2.61 1.03 -4.17 3.89 -0.04 -1.26 -4.80 135.00 127.03 1tx6 n PRO 65 Ca 0.14 -0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1tx6 n PRO 65 Cb 0.49 -1.45 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1tx6 n PRO 65 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1tx6 s TRP 66 N -2.00 0.76 0.04 0.54 0.51 -1.26 -3.85 118.94 113.68 1tx6 s TRP 66 Ca 0.43 -0.33 -0.23 0.00 -2.12 0.00 0.00 56.10 53.85 1tx6 s TRP 66 Cb 0.20 -0.46 -0.15 0.00 -0.81 0.00 0.00 33.47 32.25 1tx6 s TRP 66 CO 0.33 -0.03 1.45 1.49 -0.51 0.00 0.00 176.95 179.69 1tx6 h GLU 67 N 5.10 0.14 -3.72 4.98 4.57 -1.97 -3.47 114.58 120.22 1tx6 h GLU 67 Ca -0.34 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.71 1tx6 h GLU 67 Cb 1.19 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 1tx6 h GLU 67 CO 0.45 0.42 -0.14 0.00 -1.18 0.00 0.00 179.01 178.56 1tx6 n ASP 70 N 3.17 1.40 -3.96 0.00 10.43 -1.26 -3.43 116.55 122.89 1tx6 n ASP 70 Ca -0.16 0.12 -0.30 0.00 2.57 0.00 0.00 54.79 57.02 1tx6 n ASP 70 Cb 0.57 -0.20 -0.11 0.00 1.84 0.00 0.00 41.12 43.22 1tx6 n ASP 70 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1tx6 s LYS 71 N -2.54 2.66 -0.20 -1.24 1.02 -1.26 -4.96 119.74 113.21 1tx6 s LYS 71 Ca -0.20 -3.28 -0.13 0.00 0.02 0.00 0.00 55.97 52.39 1tx6 s LYS 71 Cb 0.07 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1tx6 s LYS 71 CO 0.75 -1.27 0.26 0.00 -0.92 0.00 0.00 175.35 174.17 1tx6 s ALA 72 N -1.34 3.60 -0.27 5.17 0.00 -1.26 -2.07 121.76 125.59 1tx6 s ALA 72 Ca 0.25 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1tx6 s ALA 72 Cb -0.07 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1tx6 s ALA 72 CO -0.14 -0.08 0.10 0.42 0.00 0.00 0.00 175.76 176.06 1tx6 s ILE 73 N 0.84 4.49 0.11 0.00 -1.09 -0.68 -4.97 121.20 119.89 1tx6 s ILE 73 Ca 0.14 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 1tx6 s ILE 73 Cb -0.13 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1tx6 s ILE 73 CO 0.04 0.26 -0.10 0.00 -1.23 0.00 0.00 174.94 173.91 1tx6 s THR 75 N -2.67 2.19 -0.42 0.00 -4.23 -0.59 -4.98 115.64 104.95 1tx6 s THR 75 Ca 0.08 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 1tx6 s THR 75 Cb -0.01 -3.05 0.47 0.00 1.34 0.00 0.00 72.50 71.24 1tx6 s THR 75 CO 0.00 -0.07 1.53 0.54 -0.54 0.00 0.00 174.62 176.09 1tx6 n ARG 76 N -3.25 2.92 -2.65 3.99 1.74 -1.26 -4.47 116.66 113.68 1tx6 n ARG 76 Ca 0.08 -3.66 -0.22 0.00 -0.77 0.00 0.00 57.85 53.27 1tx6 n ARG 76 Cb 0.61 -2.18 0.08 0.00 -1.02 0.00 0.00 32.46 29.94 1tx6 n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tx6 s SER 77 N -2.77 4.70 -0.14 0.55 1.04 -1.26 -5.00 113.70 110.82 1tx6 s SER 77 Ca 0.54 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1tx6 s SER 77 Cb 0.44 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.38 1tx6 s SER 77 CO 0.02 -1.60 0.08 0.21 0.98 0.00 0.00 173.24 172.93 1tx6 s ASN 78 N -4.64 2.05 0.89 7.02 2.47 -1.26 -2.48 114.94 119.00 1tx6 s ASN 78 Ca 0.63 -0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.36 1tx6 s ASN 78 Cb -0.07 -0.24 0.13 0.00 -1.45 0.00 0.00 41.25 39.62 1tx6 s ASN 78 CO 0.42 -0.32 1.09 -2.16 -3.72 0.00 0.00 177.10 172.41 1tx6 s PRO 79 N 2.13 1.27 0.61 0.43 0.04 -1.26 -5.18 135.00 133.04 1tx6 s PRO 79 Ca 0.03 0.87 0.08 0.00 0.04 0.00 0.00 61.00 62.02 1tx6 s PRO 79 Cb -0.15 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1tx6 s PRO 79 CO -0.07 -2.25 0.85 -1.25 0.04 0.00 0.00 177.00 174.32 1tx6 s PRO 80 N -4.91 2.14 -0.12 0.56 0.04 -1.03 -4.81 135.00 126.86 1tx6 s PRO 80 Ca 0.63 -1.60 0.02 0.00 0.04 0.00 0.00 61.00 60.09 1tx6 s PRO 80 Cb -0.18 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1tx6 s PRO 80 CO 0.57 -1.02 -0.18 0.99 0.04 0.00 0.00 177.00 177.40 1tx6 s THR 81 N -2.78 2.59 0.23 1.26 2.01 -1.26 -0.84 115.64 116.86 1tx6 s THR 81 Ca 0.63 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1tx6 s THR 81 Cb -0.05 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1tx6 s THR 81 CO 0.40 0.54 -0.02 0.00 -0.69 0.00 0.00 174.62 174.85 1tx6 s ARG 83 N -3.83 0.39 -0.17 0.00 0.52 -0.78 0.46 118.95 115.54 1tx6 s ARG 83 Ca 0.28 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 54.88 1tx6 s ARG 83 Cb 0.05 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.40 1tx6 s ARG 83 CO 0.09 0.01 -0.08 0.00 0.02 0.00 0.00 175.30 175.33 1tx6 n VAL 85 N 4.00 0.45 -1.65 0.00 0.24 -0.88 -4.55 118.33 115.93 1tx6 n VAL 85 Ca -0.18 -0.68 -0.47 0.00 -2.04 0.00 0.00 64.34 60.97 1tx6 n VAL 85 Cb 0.52 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.75 1tx6 n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tx6 n ASP 86 N 1.32 2.77 -4.71 -1.34 9.92 -1.26 -4.94 116.55 118.31 1tx6 n ASP 86 Ca 0.19 1.10 -0.38 0.00 -0.53 0.00 0.00 54.79 55.16 1tx6 n ASP 86 Cb 0.57 -1.39 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 1tx6 n ASP 86 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1tx6 s GLU 87 N 0.59 4.32 0.29 -1.24 2.02 -1.26 -4.54 118.70 118.88 1tx6 s GLU 87 Ca 0.78 0.52 0.02 0.00 0.02 0.00 0.00 54.97 56.31 1tx6 s GLU 87 Cb -0.72 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 1tx6 s GLU 87 CO 0.42 0.07 0.09 0.14 0.02 0.00 0.00 175.26 175.99 1tx6 s VAL 88 N 0.88 0.76 -0.03 2.63 -7.23 0.24 -4.92 120.40 112.74 1tx6 s VAL 88 Ca 0.28 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 1tx6 s VAL 88 Cb -0.16 -2.68 -0.33 0.00 0.56 0.00 0.00 36.38 33.78 1tx6 s VAL 88 CO 0.11 0.00 0.90 0.11 -0.31 0.00 0.00 175.10 175.91 1tx6 h LYS 89 N 2.27 0.38 -3.81 4.82 1.79 -1.95 1.52 116.57 121.60 1tx6 h LYS 89 Ca -0.39 -0.65 -0.39 0.00 -2.18 0.00 0.00 60.65 57.04 1tx6 h LYS 89 Cb 1.25 0.24 -0.35 0.00 -1.58 0.00 0.00 32.23 31.79 1tx6 h LYS 89 CO 0.63 1.31 -0.76 0.21 -1.08 0.00 0.00 179.45 179.77 1tx6 s LYS 90 N -2.49 0.55 0.81 3.15 2.20 -1.26 -4.40 119.74 118.29 1tx6 s LYS 90 Ca -0.13 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 1tx6 s LYS 90 Cb 0.02 -0.72 0.08 0.00 -1.51 0.00 0.00 37.83 35.70 1tx6 s LYS 90 CO 0.87 -0.16 1.09 0.00 -0.36 0.00 0.00 175.35 176.79 1tx6 s ALA 92 N -2.95 2.46 -2.00 0.00 0.00 -1.26 -4.88 121.76 113.13 1tx6 s ALA 92 Ca 0.61 0.50 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1tx6 s ALA 92 Cb -0.17 -3.31 0.12 0.00 0.00 0.00 0.00 23.12 19.76 1tx6 s ALA 92 CO 0.56 -1.32 0.46 -2.30 0.00 0.00 0.00 175.76 173.16 1tx6 n PRO 93 N -2.55 0.32 0.00 0.00 -0.02 -1.26 -1.46 135.00 130.03 1tx6 n PRO 93 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1tx6 n PRO 93 Cb 0.52 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1tx6 n PRO 93 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1tx6 n THR 94 N -0.60 0.63 -2.95 3.45 -2.24 -1.26 -5.02 114.28 106.29 1tx6 n THR 94 Ca 0.01 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 1tx6 n THR 94 Cb 0.01 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 1tx6 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tx6 h LYS 96 N 7.59 -0.87 -4.73 0.00 3.11 -1.90 -3.42 116.57 116.36 1tx6 h LYS 96 Ca -0.26 0.06 -0.69 0.00 -2.81 0.00 0.00 60.65 56.95 1tx6 h LYS 96 Cb 1.11 0.20 -0.31 0.00 -1.00 0.00 0.00 32.23 32.23 1tx6 h LYS 96 CO 0.84 -0.58 -0.65 0.99 -2.81 0.00 0.00 179.45 177.23 1tx6 s THR 97 N -4.65 3.39 -0.30 1.00 2.01 -1.26 -5.06 115.64 110.78 1tx6 s THR 97 Ca -0.13 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 60.62 1tx6 s THR 97 Cb 0.01 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.65 1tx6 s THR 97 CO 0.40 -0.13 -0.01 0.00 -0.69 0.00 0.00 174.62 174.18 1tx6 s LEU 99 N 1.21 3.43 0.49 0.00 1.43 -0.69 -4.91 118.68 119.65 1tx6 s LEU 99 Ca -0.05 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1tx6 s LEU 99 Cb -0.20 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1tx6 s LEU 99 CO -0.02 -0.31 0.81 -2.16 0.23 0.00 0.00 176.35 174.90 1tx6 s PRO 100 N -3.91 3.57 0.05 1.29 0.04 -1.26 -0.46 135.00 134.32 1tx6 s PRO 100 Ca 0.39 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1tx6 s PRO 100 Cb -0.04 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1tx6 s PRO 100 CO 0.24 -0.23 0.00 -1.13 0.04 0.00 0.00 177.00 175.92 1tx6 n SER 101 N -2.23 0.27 0.00 6.66 3.41 -1.26 -4.79 113.62 115.68 1tx6 n SER 101 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1tx6 n SER 101 Cb 0.55 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1tx6 n SER 101 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tx6 n ARG 107 N -3.09 0.00 -4.60 4.33 1.74 -1.26 -5.15 116.66 108.62 1tx6 n ARG 107 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1tx6 n ARG 107 Cb 0.26 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.59 1tx6 n ARG 107 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1tx6 s ARG 108 N 0.00 1.98 -0.20 5.56 1.81 0.52 -4.94 118.95 123.68 1tx6 s ARG 108 Ca 0.00 -2.11 -0.11 0.00 -1.72 0.00 0.00 55.73 51.79 1tx6 s ARG 108 Cb 0.00 -1.65 0.07 0.00 -0.45 0.00 0.00 34.95 32.91 1tx6 s ARG 108 CO 0.00 -0.07 0.48 0.08 -0.68 0.00 0.00 175.30 175.12 1tx6 s VAL 109 N -2.71 -0.04 -0.16 3.52 1.01 0.40 -0.59 120.40 121.82 1tx6 s VAL 109 Ca 0.34 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 1tx6 s VAL 109 Cb 0.09 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1tx6 s VAL 109 CO 0.18 0.03 0.55 0.00 0.00 0.00 0.00 175.10 175.86 1tx6 n ILE 111 N 4.26 0.40 -1.20 0.00 -5.35 -0.78 -4.42 119.36 112.26 1tx6 n ILE 111 Ca -0.04 -0.70 -0.35 0.00 -0.27 0.00 0.00 62.75 61.39 1tx6 n ILE 111 Cb 0.51 1.06 0.10 0.00 -1.74 0.00 0.00 39.64 39.57 1tx6 n ILE 111 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1tx6 n ASP 112 N 1.27 0.21 -4.12 7.28 8.00 -1.26 -4.95 116.55 122.99 1tx6 n ASP 112 Ca 0.16 0.60 -0.34 0.00 0.71 0.00 0.00 54.79 55.92 1tx6 n ASP 112 Cb 0.55 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.11 1tx6 n ASP 112 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1tx6 s SER 113 N -1.82 4.93 -0.16 -2.24 0.01 -1.26 -4.40 113.70 108.77 1tx6 s SER 113 Ca 0.71 -1.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.18 1tx6 s SER 113 Cb -0.31 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1tx6 s SER 113 CO 0.53 -0.36 0.24 -0.47 0.41 0.00 0.00 173.24 173.59 1tx6 s TYR 114 N 1.14 3.48 -0.37 2.43 5.04 0.17 -4.82 117.35 124.41 1tx6 s TYR 114 Ca 0.01 0.54 -0.16 0.00 -2.44 0.00 0.00 57.07 55.02 1tx6 s TYR 114 Cb -0.21 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.86 1tx6 s TYR 114 CO -0.04 0.33 0.40 0.12 -1.34 0.00 0.00 175.55 175.03 1tx6 s PHE 115 N 0.18 3.19 -4.00 4.97 2.19 -1.26 0.34 117.98 123.59 1tx6 s PHE 115 Ca 0.14 -0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.25 1tx6 s PHE 115 Cb -0.12 -2.78 0.00 0.00 -1.31 0.00 0.00 43.02 38.81 1tx6 s PHE 115 CO 0.03 -0.55 0.00 0.41 1.83 0.00 0.00 175.22 176.94 1tx6 n GLY 116 N 5.01 -1.36 3.69 13.12 0.00 -0.02 -5.00 105.19 120.64 1tx6 n GLY 116 Ca -0.08 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1tx6 n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tx6 s PRO 117 N -1.60 1.48 0.18 1.61 0.04 -1.26 -3.18 135.00 132.27 1tx6 s PRO 117 Ca 0.00 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 1tx6 s PRO 117 Cb 0.00 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1tx6 s PRO 117 CO 0.00 -2.31 1.52 0.08 0.04 0.00 0.00 177.00 176.33 1tx6 s VAL 118 N -2.35 2.70 0.63 -0.36 1.01 -1.26 -4.94 120.40 115.83 1tx6 s VAL 118 Ca 0.70 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 1tx6 s VAL 118 Cb -0.26 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1tx6 s VAL 118 CO 0.53 0.05 1.30 -2.16 0.00 0.00 0.00 175.10 174.82 1tx6 s PRO 119 N 0.76 2.66 0.41 2.72 0.04 -1.26 -4.95 135.00 135.39 1tx6 s PRO 119 Ca 0.67 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 1tx6 s PRO 119 Cb -0.43 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1tx6 s PRO 119 CO 0.34 -1.51 1.11 -1.25 0.04 0.00 0.00 177.00 175.73 1tx6 s PRO 120 N -3.31 4.03 0.57 0.56 0.04 -1.26 -4.68 135.00 130.95 1tx6 s PRO 120 Ca 0.81 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 1tx6 s PRO 120 Cb -0.37 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1tx6 s PRO 120 CO 0.40 -0.29 1.19 1.03 0.04 0.00 0.00 177.00 179.37 1tx6 s ARG 121 N -2.48 3.12 0.02 4.56 3.00 -1.24 -1.01 118.95 124.91 1tx6 s ARG 121 Ca 0.59 1.78 -0.12 0.00 0.00 0.00 0.00 55.73 57.97 1tx6 s ARG 121 Cb -0.26 -1.98 -0.33 0.00 0.00 0.00 0.00 34.95 32.38 1tx6 s ARG 121 CO 0.32 -1.08 0.96 0.00 0.00 0.00 0.00 175.30 175.51 1tx6 s THR 123 N -2.61 1.69 0.88 0.00 -4.23 -1.26 -5.05 115.64 105.06 1tx6 s THR 123 Ca -0.09 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 1tx6 s THR 123 Cb 0.05 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.34 1tx6 s THR 123 CO 0.92 0.48 0.37 -2.65 -0.54 0.00 0.00 174.62 173.20 1tx6 n PRO 124 N 4.58 -0.09 -0.88 3.99 -0.02 -1.26 -5.02 135.00 136.31 1tx6 n PRO 124 Ca -0.18 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1tx6 n PRO 124 Cb 0.50 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1tx6 n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02