#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tr5 s LEU 7 N 0.00 4.16 -0.05 3.14 1.43 -1.26 -5.10 118.68 121.01 1tr5 s LEU 7 Ca 0.00 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1tr5 s LEU 7 Cb 0.00 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1tr5 s LEU 7 CO 0.00 -0.08 -0.25 -1.38 0.23 0.00 0.00 176.35 174.87 1tr5 s HIS 8 N -1.83 2.38 0.09 0.29 -3.43 -1.26 -5.11 115.29 106.43 1tr5 s HIS 8 Ca 0.47 -0.65 -0.28 0.00 -0.80 0.00 0.00 55.06 53.80 1tr5 s HIS 8 Cb -0.11 -1.56 -0.06 0.00 -1.43 0.00 0.00 32.58 29.42 1tr5 s HIS 8 CO 0.22 -0.18 0.88 0.15 -2.00 0.00 0.00 174.74 173.81 1tr5 s LYS 9 N -0.25 4.62 0.10 -0.38 1.02 -1.26 -4.47 119.74 119.11 1tr5 s LYS 9 Ca -0.01 1.29 0.09 0.00 0.02 0.00 0.00 55.97 57.37 1tr5 s LYS 9 Cb -0.13 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1tr5 s LYS 9 CO 0.03 0.27 -0.22 -1.21 -0.92 0.00 0.00 175.35 173.30 1tr5 s GLU 10 N -0.13 1.72 0.62 1.68 2.02 0.12 -4.92 118.70 119.80 1tr5 s GLU 10 Ca 0.43 -1.19 -0.17 0.00 0.02 0.00 0.00 54.97 54.07 1tr5 s GLU 10 Cb -0.22 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1tr5 s GLU 10 CO 0.27 0.49 1.12 -1.25 0.02 0.00 0.00 175.26 175.90 1tr5 s PRO 11 N -1.87 3.01 0.01 0.39 0.04 -1.26 -0.04 135.00 135.27 1tr5 s PRO 11 Ca 0.15 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 1tr5 s PRO 11 Cb -0.10 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.55 1tr5 s PRO 11 CO 0.07 -1.10 0.73 0.00 0.04 0.00 0.00 177.00 176.75 1tr5 s ALA 12 N -2.15 -1.75 -0.04 8.56 0.00 -0.60 -4.65 121.76 121.13 1tr5 s ALA 12 Ca 0.69 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.76 1tr5 s ALA 12 Cb -0.21 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1tr5 s ALA 12 CO 0.36 -0.54 -0.23 0.99 0.00 0.00 0.00 175.76 176.35 1tr5 s THR 13 N -2.29 2.32 0.03 0.00 2.01 -0.75 -4.10 115.64 112.86 1tr5 s THR 13 Ca -0.03 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 1tr5 s THR 13 Cb -0.01 -1.84 -0.07 0.00 0.01 0.00 0.00 72.50 70.59 1tr5 s THR 13 CO -0.01 0.58 1.53 -0.22 -0.69 0.00 0.00 174.62 175.80 1tr5 s LEU 14 N -0.48 4.34 -0.24 4.42 2.96 -1.26 -0.37 118.68 128.04 1tr5 s LEU 14 Ca 0.06 2.28 -0.15 0.00 -0.22 0.00 0.00 54.13 56.10 1tr5 s LEU 14 Cb -0.11 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 1tr5 s LEU 14 CO 0.01 -0.81 -0.35 -0.38 -1.32 0.00 0.00 176.35 173.50 1tr5 n ILE 15 N 4.74 1.50 -3.64 6.68 5.41 -0.72 -4.87 119.36 128.46 1tr5 n ILE 15 Ca 0.15 -0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.60 1tr5 n ILE 15 Cb 0.42 -2.02 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 1tr5 n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1tr5 s LYS 16 N -2.62 0.58 0.05 0.38 2.20 -0.53 -5.02 119.74 114.78 1tr5 s LYS 16 Ca -0.35 0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 55.76 1tr5 s LYS 16 Cb 0.11 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 1tr5 s LYS 16 CO 0.46 -0.08 0.84 0.00 -0.36 0.00 0.00 175.35 176.21 1tr5 s ALA 17 N 0.61 3.31 -0.10 3.13 0.00 -1.26 -0.05 121.76 127.40 1tr5 s ALA 17 Ca -0.01 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 1tr5 s ALA 17 Cb -0.05 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1tr5 s ALA 17 CO -0.08 0.00 -0.24 -0.89 0.00 0.00 0.00 175.76 174.55 1tr5 n ILE 18 N 2.95 1.30 -2.71 0.00 5.41 -1.01 -4.90 119.36 120.40 1tr5 n ILE 18 Ca -0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1tr5 n ILE 18 Cb 0.50 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1tr5 n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1tr5 n ASP 19 N -4.07 0.00 -0.35 4.38 5.68 -0.71 -5.00 116.55 116.47 1tr5 n ASP 19 Ca -0.10 -0.29 0.07 0.00 -0.50 0.00 0.00 54.79 53.97 1tr5 n ASP 19 Cb 0.36 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.58 1tr5 n ASP 19 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1tr5 h GLY 20 N 0.00 1.62 -0.14 6.12 0.00 -1.83 -3.25 103.07 105.58 1tr5 h GLY 20 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1tr5 h GLY 20 CO 0.00 0.14 -0.07 2.09 0.00 0.00 0.00 176.54 178.70 1tr5 n ASP 21 N -4.65 1.49 -3.96 0.19 5.68 -1.26 -4.80 116.55 109.25 1tr5 n ASP 21 Ca 0.19 -2.17 -0.21 0.00 -0.50 0.00 0.00 54.79 52.10 1tr5 n ASP 21 Cb 0.36 -0.16 -0.16 0.00 -1.14 0.00 0.00 41.12 40.02 1tr5 n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1tr5 s THR 22 N -1.28 0.72 -0.01 2.12 2.01 -1.23 -1.23 115.64 116.73 1tr5 s THR 22 Ca 0.10 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1tr5 s THR 22 Cb 0.09 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1tr5 s THR 22 CO 0.01 0.25 0.09 0.68 -0.69 0.00 0.00 174.62 174.96 1tr5 s VAL 23 N 0.59 0.06 -0.27 3.82 -7.23 -0.79 -1.74 120.40 114.84 1tr5 s VAL 23 Ca -0.09 -0.47 -0.13 0.00 -1.81 0.00 0.00 61.98 59.48 1tr5 s VAL 23 Cb -0.12 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1tr5 s VAL 23 CO 0.01 -0.26 0.28 -0.75 -0.31 0.00 0.00 175.10 174.07 1tr5 s LYS 24 N -0.85 3.99 0.19 4.82 2.20 0.93 -0.21 119.74 130.81 1tr5 s LYS 24 Ca -0.09 -0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1tr5 s LYS 24 Cb -0.05 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 1tr5 s LYS 24 CO 0.01 -0.21 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.14 1tr5 s LEU 25 N 1.86 2.54 -0.34 5.43 1.43 0.87 -1.45 118.68 129.02 1tr5 s LEU 25 Ca 0.11 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.09 1tr5 s LEU 25 Cb -0.16 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1tr5 s LEU 25 CO 0.10 -0.19 0.23 -0.32 0.23 0.00 0.00 176.35 176.41 1tr5 s MET 26 N -3.55 3.44 -0.13 1.70 -2.45 0.50 -0.20 119.30 118.61 1tr5 s MET 26 Ca 0.20 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1tr5 s MET 26 Cb -0.01 -3.78 0.01 0.00 1.25 0.00 0.00 34.83 32.30 1tr5 s MET 26 CO 0.06 -0.46 -0.19 -0.47 1.05 0.00 0.00 175.02 175.01 1tr5 s TYR 27 N 1.70 2.37 -1.38 4.11 5.04 -0.68 -1.81 117.35 126.70 1tr5 s TYR 27 Ca 0.06 -1.18 -0.08 0.00 -2.44 0.00 0.00 57.07 53.42 1tr5 s TYR 27 Cb -0.17 -1.65 0.05 0.00 0.35 0.00 0.00 41.96 40.54 1tr5 s TYR 27 CO 0.10 -0.57 0.56 1.63 -1.34 0.00 0.00 175.55 175.93 1tr5 n LYS 28 N 4.18 -3.99 -0.93 4.97 5.02 -1.26 -1.62 118.16 124.52 1tr5 n LYS 28 Ca -0.19 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1tr5 n LYS 28 Cb 0.51 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 1tr5 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tr5 n GLY 29 N -1.31 0.80 3.23 0.72 0.00 -1.26 -5.04 105.19 102.32 1tr5 n GLY 29 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1tr5 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tr5 s GLN 30 N -0.07 2.22 0.25 1.61 -1.52 -0.64 -5.09 119.66 116.42 1tr5 s GLN 30 Ca 0.00 -0.81 -0.31 0.00 -1.95 0.00 0.00 55.36 52.30 1tr5 s GLN 30 Cb 0.00 -1.93 -0.11 0.00 -0.22 0.00 0.00 33.01 30.75 1tr5 s GLN 30 CO 0.00 0.36 1.57 -2.14 -0.25 0.00 0.00 175.29 174.83 1tr5 s PRO 31 N -0.17 4.17 -0.19 2.91 0.02 -1.26 -1.69 135.00 138.79 1tr5 s PRO 31 Ca -0.02 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.32 1tr5 s PRO 31 Cb -0.12 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.38 1tr5 s PRO 31 CO 0.02 -0.59 0.50 1.41 -0.33 0.00 0.00 177.00 178.02 1tr5 s MET 32 N 0.03 0.56 -0.15 5.54 1.75 0.72 -4.92 119.30 122.82 1tr5 s MET 32 Ca 0.65 0.76 -0.19 0.00 -1.25 0.00 0.00 55.69 55.66 1tr5 s MET 32 Cb -0.46 0.22 -0.04 0.00 2.84 0.00 0.00 34.83 37.39 1tr5 s MET 32 CO 0.42 -0.09 0.52 0.99 -0.65 0.00 0.00 175.02 176.21 1tr5 s THR 33 N 0.59 5.13 -0.08 10.11 2.01 -1.26 -0.09 115.64 132.04 1tr5 s THR 33 Ca -0.03 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 1tr5 s THR 33 Cb -0.05 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1tr5 s THR 33 CO -0.03 0.24 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.75 1tr5 s PHE 34 N 1.17 3.08 -0.17 4.92 0.40 0.70 -0.51 117.98 127.57 1tr5 s PHE 34 Ca 0.26 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1tr5 s PHE 34 Cb -0.15 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1tr5 s PHE 34 CO 0.11 0.40 -0.08 0.50 0.70 0.00 0.00 175.22 176.84 1tr5 s ARG 35 N -0.79 3.43 0.11 0.44 6.06 0.15 -1.88 118.95 126.47 1tr5 s ARG 35 Ca 0.12 -0.63 -0.31 0.00 -2.50 0.00 0.00 55.73 52.41 1tr5 s ARG 35 Cb -0.11 -2.83 -0.08 0.00 0.06 0.00 0.00 34.95 31.98 1tr5 s ARG 35 CO 0.02 0.05 1.51 -0.51 -2.50 0.00 0.00 175.30 173.87 1tr5 s LEU 36 N 0.81 4.36 0.41 -0.88 1.02 -0.37 -2.97 118.68 121.06 1tr5 s LEU 36 Ca -0.03 2.44 -0.26 0.00 0.02 0.00 0.00 54.13 56.30 1tr5 s LEU 36 Cb -0.15 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.40 1tr5 s LEU 36 CO 0.01 -0.77 1.29 -0.76 0.02 0.00 0.00 176.35 176.14 1tr5 s LEU 37 N 1.59 4.20 0.00 1.79 1.43 -0.46 -3.84 118.68 123.38 1tr5 s LEU 37 Ca 0.68 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.40 1tr5 s LEU 37 Cb -0.39 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1tr5 s LEU 37 CO 0.31 -0.86 0.00 0.18 0.23 0.00 0.00 176.35 176.21 1tr5 n LEU 38 N 0.07 1.00 -4.53 1.79 4.77 -1.26 -4.93 117.00 113.91 1tr5 n LEU 38 Ca 0.04 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 1tr5 n LEU 38 Cb 0.44 -2.47 -0.11 0.00 -2.33 0.00 0.00 43.42 38.95 1tr5 n LEU 38 CO 0.55 -0.99 -0.28 0.68 -1.33 0.00 0.00 177.39 176.03 1tr5 s VAL 39 N -1.00 1.51 -0.27 4.08 -7.23 -1.24 -1.14 120.40 115.10 1tr5 s VAL 39 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1tr5 s VAL 39 Cb 0.00 -2.85 0.16 0.00 0.56 0.00 0.00 36.38 34.25 1tr5 s VAL 39 CO 0.00 0.00 0.46 -0.62 -0.31 0.00 0.00 175.10 174.63 1tr5 s ASP 40 N -3.59 -0.31 0.25 4.85 2.15 -0.61 -4.63 116.67 114.78 1tr5 s ASP 40 Ca 0.35 0.27 -0.01 0.00 0.43 0.00 0.00 52.55 53.59 1tr5 s ASP 40 Cb 0.09 1.46 -0.04 0.00 -0.30 0.00 0.00 42.92 44.13 1tr5 s ASP 40 CO 0.16 -0.30 0.44 0.42 -0.17 0.00 0.00 175.17 175.72 1tr5 s THR 41 N 2.65 5.16 0.54 1.71 -4.23 -1.26 -1.71 115.64 118.50 1tr5 s THR 41 Ca 0.14 -0.38 -0.20 0.00 -1.18 0.00 0.00 61.69 60.08 1tr5 s THR 41 Cb -0.14 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 69.87 1tr5 s THR 41 CO -0.21 -0.29 1.13 -2.84 -0.54 0.00 0.00 174.62 171.88 1tr5 s PRO 42 N -3.61 3.36 0.66 3.99 0.02 -1.26 -4.92 135.00 133.24 1tr5 s PRO 42 Ca 0.39 1.63 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 1tr5 s PRO 42 Cb -0.10 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1tr5 s PRO 42 CO 0.31 -0.85 1.11 -1.21 -0.33 0.00 0.00 177.00 176.02 1tr5 s GLU 43 N -3.26 2.78 0.52 5.54 8.01 -1.26 -4.49 118.70 126.54 1tr5 s GLU 43 Ca 0.73 1.37 0.33 0.00 0.01 0.00 0.00 54.97 57.40 1tr5 s GLU 43 Cb -0.24 -1.95 1.47 0.00 -4.31 0.00 0.00 34.13 29.09 1tr5 s GLU 43 CO 0.27 -1.26 1.81 0.35 0.01 0.00 0.00 175.26 176.45 1tr5 h PHE 50 N -0.03 0.11 0.00 1.61 3.57 -1.95 0.26 116.94 120.52 1tr5 h PHE 50 Ca -0.47 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.85 1tr5 h PHE 50 Cb 1.24 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1tr5 h PHE 50 CO 0.55 0.01 -0.86 -0.91 -2.23 0.00 0.00 178.31 174.87 1tr5 h ASN 51 N 0.07 0.12 -4.38 0.41 -0.26 -1.94 -3.37 115.58 106.22 1tr5 h ASN 51 Ca 0.54 -0.10 -0.46 0.00 -0.56 0.00 0.00 56.30 55.73 1tr5 h ASN 51 Cb 2.04 -0.04 0.12 0.00 -1.06 0.00 0.00 38.32 39.39 1tr5 h ASN 51 CO -0.06 0.92 0.39 -1.61 -1.06 0.00 0.00 177.43 176.02 1tr5 s GLU 52 N -3.14 1.42 0.27 0.81 2.02 0.08 -4.97 118.70 115.19 1tr5 s GLU 52 Ca -0.01 -0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 1tr5 s GLU 52 Cb 0.11 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.34 1tr5 s GLU 52 CO 0.81 -1.95 1.42 0.15 0.02 0.00 0.00 175.26 175.71 1tr5 s LYS 53 N -5.62 4.27 0.00 1.61 1.02 -1.26 -2.33 119.74 117.43 1tr5 s LYS 53 Ca 0.66 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.95 1tr5 s LYS 53 Cb -0.09 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1tr5 s LYS 53 CO 0.51 -0.39 0.00 0.66 -0.92 0.00 0.00 175.35 175.20 1tr5 n TYR 54 N 2.02 0.00 0.12 3.18 4.01 -1.26 -4.78 117.16 120.44 1tr5 n TYR 54 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 1tr5 n TYR 54 Cb 0.40 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 38.89 1tr5 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tr5 h GLY 55 N 0.00 -0.30 1.53 2.72 0.00 -1.61 -0.83 103.07 104.59 1tr5 h GLY 55 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1tr5 h GLY 55 CO 0.00 -0.14 0.16 -2.55 0.00 0.00 0.00 176.54 174.01 1tr5 h PRO 56 N -0.31 0.60 -0.46 4.80 0.11 -1.81 -1.67 132.00 133.26 1tr5 h PRO 56 Ca 0.00 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1tr5 h PRO 56 Cb 0.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1tr5 h PRO 56 CO -0.03 0.51 -0.06 0.93 -0.21 0.00 0.00 178.00 179.14 1tr5 h GLU 57 N 0.60 0.86 -0.30 1.05 3.07 -1.89 0.11 114.58 118.08 1tr5 h GLU 57 Ca 0.15 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 1tr5 h GLU 57 Cb 0.14 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1tr5 h GLU 57 CO -0.01 0.93 0.05 0.00 -1.40 0.00 0.00 179.01 178.59 1tr5 h ALA 58 N 0.89 0.39 -0.69 3.43 0.00 -0.77 0.12 119.26 122.64 1tr5 h ALA 58 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1tr5 h ALA 58 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1tr5 h ALA 58 CO 0.04 0.07 0.25 0.77 0.00 0.00 0.00 179.25 180.38 1tr5 h SER 59 N 0.31 0.98 -0.47 0.00 0.02 -1.23 -1.77 113.55 111.39 1tr5 h SER 59 Ca 0.09 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1tr5 h SER 59 Cb 0.33 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1tr5 h SER 59 CO 0.00 0.90 0.13 0.00 -1.14 0.00 0.00 176.83 176.73 1tr5 h ALA 60 N 1.11 0.62 0.20 3.77 0.00 -0.57 -0.40 119.26 124.00 1tr5 h ALA 60 Ca 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tr5 h ALA 60 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1tr5 h ALA 60 CO -0.01 0.29 -0.15 0.35 0.00 0.00 0.00 179.25 179.72 1tr5 h PHE 61 N 0.63 -0.40 -0.27 0.00 3.57 -0.48 -1.41 116.94 118.58 1tr5 h PHE 61 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1tr5 h PHE 61 Cb 0.29 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1tr5 h PHE 61 CO 0.02 -0.24 0.14 1.15 -2.23 0.00 0.00 178.31 177.15 1tr5 h THR 62 N -0.36 1.13 0.06 4.41 2.02 -1.24 -1.68 112.91 117.24 1tr5 h THR 62 Ca -0.01 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1tr5 h THR 62 Cb 0.32 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1tr5 h THR 62 CO -0.01 0.13 -0.30 0.50 0.37 0.00 0.00 175.52 176.21 1tr5 h LYS 63 N 0.32 -0.47 -0.22 6.66 3.64 -0.99 -1.13 116.57 124.37 1tr5 h LYS 63 Ca 0.09 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1tr5 h LYS 63 Cb 0.09 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1tr5 h LYS 63 CO -0.01 -0.31 0.07 -0.22 -2.27 0.00 0.00 179.45 176.70 1tr5 h LYS 64 N -0.49 0.16 -0.63 1.90 3.64 -1.19 -0.82 116.57 119.14 1tr5 h LYS 64 Ca 0.05 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1tr5 h LYS 64 Cb 0.55 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1tr5 h LYS 64 CO -0.22 0.11 0.32 1.98 -2.27 0.00 0.00 179.45 179.37 1tr5 h MET 65 N 0.16 0.58 0.08 1.90 4.05 -0.98 -2.01 114.93 118.72 1tr5 h MET 65 Ca 0.10 -0.03 -0.28 0.00 -0.28 0.00 0.00 59.70 59.20 1tr5 h MET 65 Cb 0.07 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1tr5 h MET 65 CO -0.11 0.38 -1.37 -0.39 0.23 0.00 0.00 176.91 175.65 1tr5 h VAL 66 N 0.60 1.32 0.00 -5.77 -1.51 -1.05 -3.23 116.25 106.61 1tr5 h VAL 66 Ca 0.29 -2.98 -0.07 0.00 -1.23 0.00 0.00 66.70 62.71 1tr5 h VAL 66 Cb 0.22 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1tr5 h VAL 66 CO -0.20 0.84 -0.33 -0.33 -1.23 0.00 0.00 177.57 176.32 1tr5 h GLU 67 N 0.05 0.00 -0.26 5.19 5.08 -1.03 -2.94 114.58 120.66 1tr5 h GLU 67 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1tr5 h GLU 67 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 1tr5 h GLU 67 CO 0.16 0.33 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 1tr5 n ASN 68 N -3.78 2.95 -4.81 1.42 3.02 -0.76 -4.95 115.26 108.33 1tr5 n ASN 68 Ca -0.01 -1.92 -0.35 0.00 -0.03 0.00 0.00 54.58 52.26 1tr5 n ASN 68 Cb 0.41 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1tr5 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tr5 s ALA 69 N -1.68 3.30 -0.04 5.41 0.00 -1.11 -4.98 121.76 122.66 1tr5 s ALA 69 Ca 0.35 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.69 1tr5 s ALA 69 Cb 0.21 -2.94 -0.23 0.00 0.00 0.00 0.00 23.12 20.16 1tr5 s ALA 69 CO 0.30 0.27 0.69 0.87 0.00 0.00 0.00 175.76 177.89 1tr5 h LYS 70 N 2.95 0.01 -3.68 0.00 1.79 -1.92 -3.46 116.57 112.25 1tr5 h LYS 70 Ca -0.48 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 57.63 1tr5 h LYS 70 Cb 1.19 0.01 -0.34 0.00 -1.58 0.00 0.00 32.23 31.50 1tr5 h LYS 70 CO 0.65 0.56 -0.74 0.21 -1.08 0.00 0.00 179.45 179.04 1tr5 s LYS 71 N -2.60 0.25 -0.15 3.15 2.20 -1.26 -5.04 119.74 116.29 1tr5 s LYS 71 Ca -0.05 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1tr5 s LYS 71 Cb 0.08 -0.46 0.01 0.00 -1.51 0.00 0.00 37.83 35.95 1tr5 s LYS 71 CO 0.82 -0.14 -0.19 0.42 -0.36 0.00 0.00 175.35 175.90 1tr5 s ILE 72 N 1.06 2.30 0.10 5.43 1.01 -1.26 -0.84 121.20 129.00 1tr5 s ILE 72 Ca -0.09 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.75 1tr5 s ILE 72 Cb -0.13 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1tr5 s ILE 72 CO -0.02 0.54 -0.24 -1.61 0.00 0.00 0.00 174.94 173.61 1tr5 s GLU 73 N 0.82 1.33 0.11 2.79 2.02 -0.41 -1.55 118.70 123.80 1tr5 s GLU 73 Ca -0.06 -1.19 0.09 0.00 0.02 0.00 0.00 54.97 53.82 1tr5 s GLU 73 Cb -0.15 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1tr5 s GLU 73 CO -0.01 0.40 -0.17 0.14 0.02 0.00 0.00 175.26 175.64 1tr5 s VAL 74 N -1.04 2.93 -0.19 2.63 -7.23 0.94 -0.38 120.40 118.07 1tr5 s VAL 74 Ca 0.10 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1tr5 s VAL 74 Cb -0.10 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.56 1tr5 s VAL 74 CO 0.04 0.11 0.09 -0.70 -0.31 0.00 0.00 175.10 174.33 1tr5 s GLU 75 N -2.12 0.16 0.45 4.82 2.12 -0.17 0.12 118.70 124.09 1tr5 s GLU 75 Ca 0.18 -0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.13 1tr5 s GLU 75 Cb -0.11 -1.81 -0.10 0.00 0.26 0.00 0.00 34.13 32.37 1tr5 s GLU 75 CO 0.10 -0.70 0.98 -0.06 -0.54 0.00 0.00 175.26 175.04 1tr5 s PHE 76 N 2.09 3.20 0.00 5.30 0.40 -1.26 -1.27 117.98 126.44 1tr5 s PHE 76 Ca 0.02 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 57.95 1tr5 s PHE 76 Cb -0.16 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1tr5 s PHE 76 CO -0.12 -0.36 0.00 -3.47 0.70 0.00 0.00 175.22 171.97 1tr5 n ASP 77 N -0.76 0.00 0.01 1.36 -0.08 -1.26 -4.73 116.55 111.09 1tr5 n ASP 77 Ca 0.08 -0.92 -0.19 0.00 -1.51 0.00 0.00 54.79 52.25 1tr5 n ASP 77 Cb 0.53 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.89 1tr5 n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1tr5 h LYS 78 N 0.00 0.61 0.00 -0.67 1.57 -1.95 -3.47 116.57 112.67 1tr5 h LYS 78 Ca 0.00 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1tr5 h LYS 78 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1tr5 h LYS 78 CO 0.00 1.23 0.00 0.41 -0.57 0.00 0.00 179.45 180.52 1tr5 n GLY 79 N 0.99 -0.44 3.72 3.86 0.00 0.01 -4.95 105.19 108.38 1tr5 n GLY 79 Ca -0.10 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1tr5 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tr5 n GLN 80 N 0.00 2.37 -0.01 1.61 6.02 -1.26 -4.93 117.38 121.17 1tr5 n GLN 80 Ca 0.00 0.84 0.09 0.00 -0.01 0.00 0.00 57.00 57.92 1tr5 n GLN 80 Cb 0.00 -2.51 -0.16 0.00 1.02 0.00 0.00 30.24 28.59 1tr5 n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1tr5 n ARG 81 N 1.13 0.64 -4.44 -1.09 1.74 -1.26 -4.80 116.66 108.57 1tr5 n ARG 81 Ca 0.06 -0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 1tr5 n ARG 81 Cb 0.36 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.18 1tr5 n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1tr5 s THR 82 N -3.39 1.46 0.55 0.55 2.01 -1.26 0.31 115.64 115.88 1tr5 s THR 82 Ca -0.08 -1.22 0.09 0.00 0.31 0.00 0.00 61.69 60.80 1tr5 s THR 82 Cb 0.13 -1.31 0.09 0.00 0.01 0.00 0.00 72.50 71.42 1tr5 s THR 82 CO 0.86 0.05 0.76 -0.90 -0.69 0.00 0.00 174.62 174.70 1tr5 n ASP 83 N 1.66 2.04 0.31 3.53 3.85 -0.29 -4.91 116.55 122.73 1tr5 n ASP 83 Ca -0.18 -2.48 0.19 0.00 -0.71 0.00 0.00 54.79 51.61 1tr5 n ASP 83 Cb 0.54 -0.40 1.05 0.00 -1.35 0.00 0.00 41.12 40.96 1tr5 n ASP 83 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1tr5 h LYS 84 N 0.00 0.00 -0.45 0.11 2.10 -2.02 -1.04 116.57 115.27 1tr5 h LYS 84 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1tr5 h LYS 84 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1tr5 h LYS 84 CO 0.37 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.48 1tr5 n TYR 85 N -3.45 0.59 -1.00 0.07 4.02 -1.26 -4.92 117.16 111.21 1tr5 n TYR 85 Ca -0.03 -0.30 -0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1tr5 n TYR 85 Cb 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1tr5 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tr5 n GLY 86 N 1.31 0.45 3.80 2.72 0.00 -0.39 -5.02 105.19 108.05 1tr5 n GLY 86 Ca 0.17 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1tr5 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tr5 s ARG 87 N -0.32 4.36 0.33 1.61 0.52 -1.26 -4.80 118.95 119.40 1tr5 s ARG 87 Ca 0.00 0.98 -0.27 0.00 -0.52 0.00 0.00 55.73 55.92 1tr5 s ARG 87 Cb 0.00 -2.96 -0.09 0.00 0.52 0.00 0.00 34.95 32.41 1tr5 s ARG 87 CO 0.00 0.43 1.09 0.20 0.02 0.00 0.00 175.30 177.04 1tr5 s GLY 88 N -1.52 2.94 -0.28 -3.53 0.00 0.33 -1.13 107.32 104.13 1tr5 s GLY 88 Ca 0.42 0.84 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 1tr5 s GLY 88 CO 0.22 1.38 0.03 1.08 0.00 0.00 0.00 173.10 175.81 1tr5 s LEU 89 N -1.96 3.58 0.30 0.66 1.43 0.15 0.35 118.68 123.18 1tr5 s LEU 89 Ca 0.50 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1tr5 s LEU 89 Cb -0.29 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1tr5 s LEU 89 CO 0.36 -0.16 0.69 0.00 0.23 0.00 0.00 176.35 177.47 1tr5 s ALA 90 N 1.44 -0.92 -0.21 4.21 0.00 -1.16 -4.52 121.76 120.61 1tr5 s ALA 90 Ca 0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1tr5 s ALA 90 Cb -0.17 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1tr5 s ALA 90 CO -0.00 -0.99 0.38 0.71 0.00 0.00 0.00 175.76 175.85 1tr5 s TYR 91 N -3.62 3.36 -0.10 0.00 2.02 -0.40 -1.36 117.35 117.26 1tr5 s TYR 91 Ca 0.14 0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 57.38 1tr5 s TYR 91 Cb -0.05 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 1tr5 s TYR 91 CO 0.09 -0.01 0.03 -2.00 -1.57 0.00 0.00 175.55 172.09 1tr5 s GLU 92 N 1.31 3.18 -0.12 -0.62 2.12 -1.26 -1.00 118.70 122.31 1tr5 s GLU 92 Ca 0.18 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1tr5 s GLU 92 Cb -0.15 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1tr5 s GLU 92 CO 0.08 0.67 -0.23 0.71 -0.54 0.00 0.00 175.26 175.94 1tr5 s TYR 93 N -0.76 2.61 -0.52 5.30 2.02 0.49 -0.15 117.35 126.33 1tr5 s TYR 93 Ca 0.12 -1.17 -0.04 0.00 -0.37 0.00 0.00 57.07 55.61 1tr5 s TYR 93 Cb -0.12 -1.76 0.14 0.00 -0.40 0.00 0.00 41.96 39.82 1tr5 s TYR 93 CO 0.02 -0.50 0.34 0.00 -1.57 0.00 0.00 175.55 173.84 1tr5 s ALA 94 N 0.55 3.40 -1.08 3.71 0.00 0.11 -1.29 121.76 127.15 1tr5 s ALA 94 Ca -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 51.96 48.92 1tr5 s ALA 94 Cb -0.17 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1tr5 s ALA 94 CO 0.04 -1.96 0.91 -0.25 0.00 0.00 0.00 175.76 174.50 1tr5 n ASP 95 N 4.10 -2.72 0.00 0.00 10.43 -0.02 -2.70 116.55 125.63 1tr5 n ASP 95 Ca 0.02 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.80 1tr5 n ASP 95 Cb 0.40 -4.78 0.00 0.00 1.84 0.00 0.00 41.12 38.57 1tr5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1tr5 n GLY 96 N -1.14 2.95 3.69 0.44 0.00 -1.26 -4.99 105.19 104.87 1tr5 n GLY 96 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1tr5 n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tr5 s LYS 97 N -0.10 4.34 -0.25 1.61 2.47 -1.10 -5.01 119.74 121.70 1tr5 s LYS 97 Ca 0.00 0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 54.92 1tr5 s LYS 97 Cb 0.00 -3.51 -0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1tr5 s LYS 97 CO 0.00 -0.10 1.26 1.41 0.16 0.00 0.00 175.35 178.08 1tr5 s MET 98 N 1.38 4.05 0.29 4.03 -2.45 -1.26 0.04 119.30 125.39 1tr5 s MET 98 Ca 0.34 1.39 -0.02 0.00 -1.25 0.00 0.00 55.69 56.16 1tr5 s MET 98 Cb -0.17 -3.82 0.42 0.00 1.25 0.00 0.00 34.83 32.52 1tr5 s MET 98 CO 0.14 -0.93 1.92 0.28 1.05 0.00 0.00 175.02 177.48 1tr5 h VAL 99 N 5.75 1.22 0.09 10.11 2.07 -0.92 -2.05 116.25 132.52 1tr5 h VAL 99 Ca -0.25 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1tr5 h VAL 99 Cb 1.10 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1tr5 h VAL 99 CO 1.01 0.23 -0.19 0.78 0.02 0.00 0.00 177.57 179.42 1tr5 h ASN 100 N 1.03 -0.53 -0.34 0.57 4.21 -1.91 -1.84 115.58 116.76 1tr5 h ASN 100 Ca 0.26 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.82 1tr5 h ASN 100 Cb -0.00 0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1tr5 h ASN 100 CO -0.05 -0.27 0.14 -0.08 -1.29 0.00 0.00 177.43 175.89 1tr5 h GLU 101 N -0.35 0.51 -0.54 0.81 4.81 -1.89 -2.74 114.58 115.18 1tr5 h GLU 101 Ca 0.03 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1tr5 h GLU 101 Cb 0.38 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1tr5 h GLU 101 CO -0.11 0.50 0.20 0.00 -0.73 0.00 0.00 179.01 178.86 1tr5 h ALA 102 N 0.99 0.68 -0.75 2.92 0.00 -1.19 0.31 119.26 122.20 1tr5 h ALA 102 Ca 0.11 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1tr5 h ALA 102 Cb 0.18 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1tr5 h ALA 102 CO -0.01 -0.20 0.49 -0.07 0.00 0.00 0.00 179.25 179.45 1tr5 h LEU 103 N 0.38 0.83 -0.53 0.00 3.38 -1.28 -2.07 115.31 116.01 1tr5 h LEU 103 Ca 0.27 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1tr5 h LEU 103 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1tr5 h LEU 103 CO -0.27 0.59 -0.28 0.58 0.09 0.00 0.00 178.44 179.15 1tr5 h VAL 104 N 0.98 1.27 -0.21 1.22 2.07 -0.91 -1.49 116.25 119.18 1tr5 h VAL 104 Ca 0.29 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1tr5 h VAL 104 Cb -0.06 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1tr5 h VAL 104 CO -0.08 0.48 -0.12 -0.09 0.02 0.00 0.00 177.57 177.78 1tr5 h ARG 105 N 0.76 0.34 -0.02 1.57 9.65 -0.08 -2.54 114.38 124.06 1tr5 h ARG 105 Ca 0.09 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1tr5 h ARG 105 Cb 0.84 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1tr5 h ARG 105 CO 0.07 0.46 0.00 1.04 2.80 0.00 0.00 179.97 184.35 1tr5 n GLN 106 N -4.25 1.45 -1.96 0.20 1.13 -0.81 -4.36 117.38 108.78 1tr5 n GLN 106 Ca -0.00 -0.65 -0.11 0.00 -1.94 0.00 0.00 57.00 54.30 1tr5 n GLN 106 Cb 0.28 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 1tr5 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tr5 n GLY 107 N 1.10 0.29 0.74 1.08 0.00 -0.96 -4.33 105.19 103.11 1tr5 n GLY 107 Ca 0.20 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1tr5 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tr5 n LEU 108 N -1.48 2.52 -3.78 0.99 4.77 -0.58 -1.90 117.00 117.54 1tr5 n LEU 108 Ca -0.12 -0.97 -0.13 0.00 -0.03 0.00 0.00 56.01 54.76 1tr5 n LEU 108 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1tr5 n LEU 108 CO 0.16 0.44 -0.00 0.00 -1.33 0.00 0.00 177.39 176.65 1tr5 s ALA 109 N -1.68 -0.70 0.04 -1.18 0.00 -1.05 -4.41 121.76 112.79 1tr5 s ALA 109 Ca 0.22 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1tr5 s ALA 109 Cb 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1tr5 s ALA 109 CO 0.27 -0.29 -0.09 0.21 0.00 0.00 0.00 175.76 175.87 1tr5 s LYS 110 N -1.61 2.37 0.09 0.00 2.20 -0.70 -4.46 119.74 117.64 1tr5 s LYS 110 Ca -0.12 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 54.33 1tr5 s LYS 110 Cb -0.04 -2.41 -0.07 0.00 -1.51 0.00 0.00 37.83 33.79 1tr5 s LYS 110 CO 0.02 0.56 1.34 0.08 -0.36 0.00 0.00 175.35 176.99 1tr5 s VAL 111 N -1.07 3.52 0.28 4.02 1.01 -1.26 -1.57 120.40 125.32 1tr5 s VAL 111 Ca 0.19 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 1tr5 s VAL 111 Cb -0.11 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1tr5 s VAL 111 CO 0.10 0.08 0.71 0.00 0.00 0.00 0.00 175.10 175.98 1tr5 s ALA 112 N 1.17 -1.14 -1.34 5.51 0.00 -0.29 -4.88 121.76 120.79 1tr5 s ALA 112 Ca 0.63 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1tr5 s ALA 112 Cb -0.35 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1tr5 s ALA 112 CO 0.30 -1.03 0.57 0.66 0.00 0.00 0.00 175.76 176.26 1tr5 n TYR 113 N -0.46 -1.78 -2.80 0.00 4.02 -1.26 -3.64 117.16 111.23 1tr5 n TYR 113 Ca -0.04 0.75 -0.43 0.00 -0.01 0.00 0.00 57.90 58.17 1tr5 n TYR 113 Cb 0.59 -3.96 -0.04 0.00 -0.02 0.00 0.00 39.34 35.91 1tr5 n TYR 113 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1tr5 s VAL 114 N -3.80 4.29 0.15 -0.72 1.01 -1.26 -4.57 120.40 115.51 1tr5 s VAL 114 Ca 0.05 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1tr5 s VAL 114 Cb -0.02 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1tr5 s VAL 114 CO 0.86 -1.28 0.12 -0.31 0.00 0.00 0.00 175.10 174.48 1tr5 s TYR 115 N 4.19 3.13 0.16 5.22 1.51 -1.26 -5.08 117.35 125.22 1tr5 s TYR 115 Ca 0.29 -0.02 -0.32 0.00 -1.01 0.00 0.00 57.07 56.01 1tr5 s TYR 115 Cb -0.13 -1.51 -0.12 0.00 -0.11 0.00 0.00 41.96 40.09 1tr5 s TYR 115 CO 0.17 0.52 1.73 1.63 -1.11 0.00 0.00 175.55 178.49 1tr5 n LYS 116 N -0.22 2.61 0.00 -0.62 5.02 -1.26 -2.53 118.16 121.16 1tr5 n LYS 116 Ca -0.08 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1tr5 n LYS 116 Cb 0.54 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1tr5 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tr5 n GLY 117 N 3.94 2.15 2.37 0.72 0.00 -1.26 -4.86 105.19 108.24 1tr5 n GLY 117 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1tr5 n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tr5 n ASN 118 N 0.00 3.92 -2.40 1.61 4.13 -1.05 -0.81 115.26 120.65 1tr5 n ASN 118 Ca 0.00 -3.34 -0.06 0.00 1.68 0.00 0.00 54.58 52.86 1tr5 n ASN 118 Cb 0.00 -0.42 0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1tr5 n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1tr5 n ASN 119 N -0.55 2.49 -0.25 6.41 6.94 -1.25 -4.65 115.26 124.39 1tr5 n ASN 119 Ca 0.32 -2.59 -0.06 0.00 -0.02 0.00 0.00 54.58 52.24 1tr5 n ASN 119 Cb 0.83 -0.43 0.05 0.00 -2.36 0.00 0.00 39.78 37.88 1tr5 n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1tr5 h THR 120 N 4.56 1.21 -0.49 5.53 2.02 -1.95 -2.84 112.91 120.96 1tr5 h THR 120 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1tr5 h THR 120 Cb 1.39 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1tr5 h THR 120 CO 0.33 0.22 0.00 1.41 0.37 0.00 0.00 175.52 177.85 1tr5 n HIS 121 N -4.53 1.19 0.03 3.16 8.25 -1.26 -4.63 115.22 117.44 1tr5 n HIS 121 Ca 0.06 -0.46 -0.10 0.00 -0.26 0.00 0.00 57.72 56.95 1tr5 n HIS 121 Cb 0.07 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 1tr5 n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1tr5 h GLU 122 N 3.10 -0.30 -0.74 -0.41 4.81 -1.88 -2.37 114.58 116.79 1tr5 h GLU 122 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1tr5 h GLU 122 Cb 1.22 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1tr5 h GLU 122 CO 0.20 -0.20 0.42 1.96 -0.73 0.00 0.00 179.01 180.66 1tr5 h GLN 123 N -0.32 0.74 -0.30 1.92 4.20 -1.84 -0.16 115.11 119.36 1tr5 h GLN 123 Ca 0.08 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1tr5 h GLN 123 Cb 0.43 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1tr5 h GLN 123 CO -0.25 0.49 0.14 1.25 -0.67 0.00 0.00 178.83 179.79 1tr5 h LEU 124 N 0.77 0.20 -0.69 1.46 5.85 -1.84 -1.12 115.31 119.93 1tr5 h LEU 124 Ca 0.34 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.96 1tr5 h LEU 124 Cb 0.22 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1tr5 h LEU 124 CO -0.19 0.15 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.83 1tr5 h LEU 125 N 0.29 0.86 -1.23 2.25 3.38 -0.92 -2.42 115.31 117.53 1tr5 h LEU 125 Ca 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1tr5 h LEU 125 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1tr5 h LEU 125 CO -0.10 1.01 0.37 0.03 0.09 0.00 0.00 178.44 179.85 1tr5 h ARG 126 N 0.76 0.90 -0.02 1.13 2.47 -0.69 -0.61 114.38 118.32 1tr5 h ARG 126 Ca 0.12 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1tr5 h ARG 126 Cb 0.67 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1tr5 h ARG 126 CO 0.05 0.65 0.01 -0.22 0.56 0.00 0.00 179.97 181.02 1tr5 h LYS 127 N 0.91 0.03 -0.59 0.04 1.63 -0.98 -1.39 116.57 116.22 1tr5 h LYS 127 Ca 0.24 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1tr5 h LYS 127 Cb 0.00 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1tr5 h LYS 127 CO -0.04 0.14 0.27 0.00 -3.45 0.00 0.00 179.45 176.36 1tr5 h ALA 128 N 0.89 1.37 -0.14 5.00 0.00 -0.94 -2.60 119.26 122.85 1tr5 h ALA 128 Ca 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tr5 h ALA 128 Cb 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1tr5 h ALA 128 CO -0.00 0.49 -0.02 1.49 0.00 0.00 0.00 179.25 181.21 1tr5 h GLU 129 N 0.83 0.25 -0.48 0.00 4.81 -0.95 -2.49 114.58 116.56 1tr5 h GLU 129 Ca 0.20 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1tr5 h GLU 129 Cb 0.11 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1tr5 h GLU 129 CO -0.02 0.52 0.33 0.00 -0.73 0.00 0.00 179.01 179.10 1tr5 h ALA 130 N 0.73 2.04 -0.07 2.92 0.00 -0.98 0.16 119.26 124.05 1tr5 h ALA 130 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1tr5 h ALA 130 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1tr5 h ALA 130 CO 0.01 -0.14 -0.19 1.96 0.00 0.00 0.00 179.25 180.89 1tr5 h GLN 131 N 0.32 0.26 -0.43 0.00 4.20 -1.33 -2.07 115.11 116.07 1tr5 h GLN 131 Ca 0.22 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1tr5 h GLN 131 Cb 0.45 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1tr5 h GLN 131 CO -0.05 0.79 0.01 0.00 -0.67 0.00 0.00 178.83 178.91 1tr5 h ALA 132 N 0.47 1.21 -0.66 3.87 0.00 -0.95 -1.42 119.26 121.79 1tr5 h ALA 132 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1tr5 h ALA 132 Cb 0.80 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1tr5 h ALA 132 CO 0.04 0.52 0.09 -0.22 0.00 0.00 0.00 179.25 179.69 1tr5 h LYS 133 N 0.65 1.11 0.00 0.00 3.64 -0.68 -1.30 116.57 120.00 1tr5 h LYS 133 Ca 0.13 -0.31 -0.15 0.00 -1.27 0.00 0.00 60.65 59.05 1tr5 h LYS 133 Cb 0.40 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1tr5 h LYS 133 CO 0.01 1.02 -0.73 0.87 -2.27 0.00 0.00 179.45 178.35 1tr5 h LYS 134 N 1.03 0.00 -0.01 1.90 1.57 -1.10 -3.08 116.57 116.88 1tr5 h LYS 134 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1tr5 h LYS 134 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1tr5 h LYS 134 CO 0.02 0.73 -0.09 0.39 -0.57 0.00 0.00 179.45 179.93 1tr5 n GLU 135 N -3.54 0.89 -3.72 3.15 1.02 -0.56 -4.94 120.64 112.95 1tr5 n GLU 135 Ca -0.00 -0.33 -0.25 0.00 -0.02 0.00 0.00 57.16 56.56 1tr5 n GLU 135 Cb 0.75 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.72 1tr5 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1tr5 n LYS 136 N -0.77 -6.22 -2.70 3.49 4.76 -0.59 -4.94 118.16 111.19 1tr5 n LYS 136 Ca 0.16 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.88 1tr5 n LYS 136 Cb 0.27 -5.58 -0.03 0.00 -1.84 0.00 0.00 35.03 27.85 1tr5 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tr5 s LEU 137 N -7.04 4.37 0.00 -0.35 1.43 -0.62 -3.89 118.68 112.57 1tr5 s LEU 137 Ca 0.41 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1tr5 s LEU 137 Cb -0.20 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1tr5 s LEU 137 CO 0.79 -0.27 0.00 0.59 0.23 0.00 0.00 176.35 177.69 1tr5 n ASN 138 N 3.92 0.00 0.09 2.29 3.02 -1.26 -1.38 115.26 121.93 1tr5 n ASN 138 Ca 0.06 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.79 1tr5 n ASN 138 Cb 0.51 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.40 1tr5 n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1tr5 h ILE 139 N 0.00 0.66 -0.35 2.41 2.04 -1.69 -1.52 117.51 119.07 1tr5 h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1tr5 h ILE 139 Cb 0.00 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1tr5 h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1tr5 n TRP 140 N -4.19 0.46 0.94 1.37 7.02 -0.48 -5.15 117.44 117.41 1tr5 n TRP 140 Ca 0.06 -0.23 0.08 0.00 -1.02 0.00 0.00 57.50 56.38 1tr5 n TRP 140 Cb 0.48 0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.82 1tr5 n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10