#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tj4 s ARG 2 N 0.00 2.80 0.02 0.03 0.52 -1.26 -5.04 118.95 116.03 1tj4 s ARG 2 Ca 0.00 -1.22 0.27 0.00 -0.52 0.00 0.00 55.73 54.26 1tj4 s ARG 2 Cb 0.00 -2.53 0.96 0.00 0.52 0.00 0.00 34.95 33.91 1tj4 s ARG 2 CO 0.00 0.15 1.75 0.00 0.02 0.00 0.00 175.30 177.22 1tj4 n GLN 3 N -1.36 0.03 -3.79 3.54 10.64 -0.98 -4.87 117.38 120.59 1tj4 n GLN 3 Ca -0.03 0.02 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 1tj4 n GLN 3 Cb 0.59 -1.53 -0.12 0.00 -0.86 0.00 0.00 30.24 28.32 1tj4 n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1tj4 s LEU 4 N -3.17 1.05 -0.38 2.61 2.96 -1.16 -4.82 118.68 115.78 1tj4 s LEU 4 Ca 0.13 0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.45 1tj4 s LEU 4 Cb 0.18 0.74 0.09 0.00 0.50 0.00 0.00 46.19 47.70 1tj4 s LEU 4 CO 0.59 -0.09 0.16 -0.22 -1.32 0.00 0.00 176.35 175.47 1tj4 s LEU 5 N 0.29 4.89 -0.33 -0.68 0.20 -0.27 -0.05 118.68 122.73 1tj4 s LEU 5 Ca -0.01 -1.74 -0.14 0.00 0.69 0.00 0.00 54.13 52.92 1tj4 s LEU 5 Cb -0.03 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1tj4 s LEU 5 CO -0.01 -0.47 0.32 -0.22 -0.29 0.00 0.00 176.35 175.69 1tj4 s LEU 6 N 1.22 4.41 -0.18 -0.68 0.20 0.47 -0.77 118.68 123.36 1tj4 s LEU 6 Ca 0.04 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.64 1tj4 s LEU 6 Cb -0.22 -2.29 0.02 0.00 -0.43 0.00 0.00 46.19 43.27 1tj4 s LEU 6 CO -0.02 -0.29 -0.20 -0.63 -0.29 0.00 0.00 176.35 174.92 1tj4 s ILE 7 N 1.94 2.04 0.02 6.68 1.01 0.73 -0.31 121.20 133.30 1tj4 s ILE 7 Ca 0.10 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1tj4 s ILE 7 Cb -0.17 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 1tj4 s ILE 7 CO 0.11 0.54 -0.04 -0.55 0.00 0.00 0.00 174.94 175.00 1tj4 s SER 8 N 1.28 0.40 0.62 3.58 0.15 -0.49 -0.41 113.70 118.82 1tj4 s SER 8 Ca 0.04 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.15 1tj4 s SER 8 Cb -0.13 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1tj4 s SER 8 CO -0.12 -0.21 1.04 -0.62 1.20 0.00 0.00 173.24 174.53 1tj4 s ASP 9 N -1.19 5.87 -0.00 5.45 2.15 -0.74 -0.42 116.67 127.77 1tj4 s ASP 9 Ca -0.11 1.64 -0.00 0.00 0.43 0.00 0.00 52.55 54.51 1tj4 s ASP 9 Cb -0.08 -2.51 -0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1tj4 s ASP 9 CO -0.00 -1.11 -0.00 0.18 -0.17 0.00 0.00 175.17 174.06 1tj4 n LEU 10 N -2.45 0.03 -4.70 -1.34 4.77 -1.26 -2.41 117.00 109.64 1tj4 n LEU 10 Ca 0.07 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 1tj4 n LEU 10 Cb 0.53 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1tj4 n LEU 10 CO 0.52 -0.50 1.41 0.47 -1.33 0.00 0.00 177.39 177.96 1tj4 n ASP 11 N -2.33 3.92 0.00 -1.43 9.92 -1.26 0.40 116.55 125.76 1tj4 n ASP 11 Ca -0.00 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.28 1tj4 n ASP 11 Cb 0.00 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 1tj4 n ASP 11 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1tj4 n ASN 12 N 4.84 0.00 0.00 -2.24 3.02 0.07 -4.72 115.26 116.23 1tj4 n ASN 12 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1tj4 n ASN 12 Cb 0.35 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 1tj4 n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1tj4 n THR 13 N -2.00 0.00 -0.03 3.41 -1.04 -0.92 -4.21 114.28 109.49 1tj4 n THR 13 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1tj4 n THR 13 Cb 0.00 -0.62 -0.10 0.00 -1.82 0.00 0.00 70.33 67.79 1tj4 n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1tj4 h TRP 14 N 0.00 0.14 -3.26 -1.42 2.91 -0.95 0.21 115.95 113.58 1tj4 h TRP 14 Ca 0.00 -0.05 -0.57 0.00 1.13 0.00 0.00 58.89 59.40 1tj4 h TRP 14 Cb 0.00 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 1tj4 h TRP 14 CO 0.00 0.69 -0.20 0.08 -1.03 0.00 0.00 178.44 177.99 1tj4 s VAL 15 N -3.79 5.02 0.00 2.65 1.01 0.16 -3.80 120.40 121.66 1tj4 s VAL 15 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1tj4 s VAL 15 Cb 0.02 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1tj4 s VAL 15 CO 0.71 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.51 1tj4 n GLY 16 N 0.34 3.43 3.15 4.51 0.00 -1.26 -0.75 105.19 114.60 1tj4 n GLY 16 Ca -0.03 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1tj4 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tj4 s ASP 17 N 0.00 5.51 0.31 1.61 -1.08 -1.26 -4.97 116.67 116.79 1tj4 s ASP 17 Ca 0.00 -2.44 0.07 0.00 -0.52 0.00 0.00 52.55 49.66 1tj4 s ASP 17 Cb 0.00 -1.92 0.79 0.00 -1.46 0.00 0.00 42.92 40.33 1tj4 s ASP 17 CO 0.00 -0.51 1.74 -0.61 0.52 0.00 0.00 175.17 176.31 1tj4 h GLN 18 N 7.67 0.59 -0.39 4.34 5.75 -1.95 0.11 115.11 131.22 1tj4 h GLN 18 Ca -0.07 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.32 1tj4 h GLN 18 Cb 1.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 1tj4 h GLN 18 CO 0.75 0.39 -0.05 0.37 -2.65 0.00 0.00 178.83 177.64 1tj4 h GLN 19 N 0.60 0.73 -0.33 1.69 4.15 -1.99 -0.72 115.11 119.24 1tj4 h GLN 19 Ca 0.60 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 1tj4 h GLN 19 Cb 1.07 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1tj4 h GLN 19 CO -0.45 0.85 0.11 0.00 -1.93 0.00 0.00 178.83 177.40 1tj4 h ALA 20 N 0.86 0.44 -0.36 3.38 0.00 -1.53 -0.57 119.26 121.47 1tj4 h ALA 20 Ca 0.10 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1tj4 h ALA 20 Cb 0.55 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1tj4 h ALA 20 CO 0.03 0.07 -0.03 1.25 0.00 0.00 0.00 179.25 180.57 1tj4 h LEU 21 N 0.39 -0.21 -0.72 0.00 6.46 -0.70 0.13 115.31 120.67 1tj4 h LEU 21 Ca 0.11 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1tj4 h LEU 21 Cb 0.24 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1tj4 h LEU 21 CO -0.00 -0.07 0.31 -0.33 -0.62 0.00 0.00 178.44 177.73 1tj4 h GLU 22 N 0.07 1.05 0.00 1.25 5.08 -0.72 -0.89 114.58 120.42 1tj4 h GLU 22 Ca 0.18 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tj4 h GLU 22 Cb 0.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tj4 h GLU 22 CO -0.32 0.85 -0.05 1.12 -1.00 0.00 0.00 179.01 179.60 1tj4 h HIS 23 N 1.01 0.00 -0.04 4.33 2.07 -0.71 -1.77 115.15 120.04 1tj4 h HIS 23 Ca 0.24 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.73 1tj4 h HIS 23 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1tj4 h HIS 23 CO 0.01 0.00 -0.12 1.25 -3.07 0.00 0.00 177.93 176.01 1tj4 h LEU 24 N 0.00 0.17 -1.30 6.12 5.85 -0.37 -2.36 115.31 123.42 1tj4 h LEU 24 Ca 0.00 -0.61 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1tj4 h LEU 24 Cb 0.92 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1tj4 h LEU 24 CO 0.00 0.75 -0.26 1.56 -0.34 0.00 0.00 178.44 180.15 1tj4 h GLN 25 N -0.40 0.00 -0.26 1.25 4.20 -1.18 -0.76 115.11 117.97 1tj4 h GLN 25 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1tj4 h GLN 25 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1tj4 h GLN 25 CO 0.03 0.26 -0.54 1.49 -0.67 0.00 0.00 178.83 179.40 1tj4 h GLU 26 N 0.00 0.83 0.49 1.46 4.57 -1.29 0.23 114.58 120.87 1tj4 h GLU 26 Ca -0.00 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 1tj4 h GLU 26 Cb 0.67 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1tj4 h GLU 26 CO 0.03 1.17 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.88 1tj4 h TYR 27 N 0.60 -0.61 -0.45 0.92 5.03 -1.01 -3.10 116.97 118.34 1tj4 h TYR 27 Ca 0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1tj4 h TYR 27 Cb 1.15 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.61 1tj4 h TYR 27 CO 0.08 -0.29 0.26 -0.07 -1.32 0.00 0.00 178.16 176.82 1tj4 h LEU 28 N -0.95 0.54 -2.50 2.82 3.38 -1.21 -2.04 115.31 115.35 1tj4 h LEU 28 Ca -0.07 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1tj4 h LEU 28 Cb 0.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1tj4 h LEU 28 CO 0.11 0.43 0.10 1.23 0.09 0.00 0.00 178.44 180.40 1tj4 h GLY 29 N 0.68 0.00 -1.17 0.83 0.00 -0.47 -1.30 103.07 101.64 1tj4 h GLY 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1tj4 h GLY 29 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 1tj4 n ASP 30 N -3.47 2.03 -1.51 0.19 8.00 -0.77 -3.92 116.55 117.10 1tj4 n ASP 30 Ca -0.01 -1.80 -0.02 0.00 0.71 0.00 0.00 54.79 53.67 1tj4 n ASP 30 Cb 0.19 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1tj4 n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1tj4 n ARG 31 N 0.57 0.28 -0.35 -1.24 1.85 -0.58 -4.97 116.66 112.22 1tj4 n ARG 31 Ca 0.16 -1.62 0.26 0.00 -1.00 0.00 0.00 57.85 55.65 1tj4 n ARG 31 Cb 0.38 0.12 0.54 0.00 -1.05 0.00 0.00 32.46 32.45 1tj4 n ARG 31 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1tj4 h ARG 32 N 0.71 0.31 0.00 2.89 9.65 -1.43 0.25 114.38 126.75 1tj4 h ARG 32 Ca -0.39 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1tj4 h ARG 32 Cb 1.58 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 1tj4 h ARG 32 CO -0.09 0.20 0.00 0.41 2.80 0.00 0.00 179.97 183.29 1tj4 n GLY 33 N -1.49 -0.99 0.88 2.80 0.00 -1.26 -3.50 105.19 101.63 1tj4 n GLY 33 Ca 0.28 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1tj4 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tj4 n ASN 34 N -0.97 2.66 -3.60 1.61 5.03 0.88 -4.89 115.26 115.97 1tj4 n ASN 34 Ca 0.22 -1.86 -0.15 0.00 0.87 0.00 0.00 54.58 53.66 1tj4 n ASN 34 Cb 0.10 -0.12 -0.06 0.00 -1.02 0.00 0.00 39.78 38.68 1tj4 n ASN 34 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1tj4 s PHE 35 N -1.77 -0.42 -0.12 3.10 -0.71 -1.23 -2.33 117.98 114.50 1tj4 s PHE 35 Ca 0.34 0.56 -0.12 0.00 -1.04 0.00 0.00 56.93 56.67 1tj4 s PHE 35 Cb 0.21 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1tj4 s PHE 35 CO 0.30 -0.59 0.26 0.71 -1.34 0.00 0.00 175.22 174.56 1tj4 s TYR 36 N -1.99 3.54 -0.12 3.49 1.51 0.93 -4.97 117.35 119.75 1tj4 s TYR 36 Ca -0.08 0.63 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 1tj4 s TYR 36 Cb -0.01 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 1tj4 s TYR 36 CO 0.02 0.45 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.61 1tj4 s LEU 37 N -0.23 2.75 -0.04 -1.29 2.96 -1.26 -0.39 118.68 121.18 1tj4 s LEU 37 Ca 0.17 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1tj4 s LEU 37 Cb -0.13 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.97 1tj4 s LEU 37 CO 0.05 0.20 -0.03 0.00 -1.32 0.00 0.00 176.35 175.25 1tj4 s ALA 38 N 0.13 0.55 -0.33 5.97 0.00 0.58 0.32 121.76 128.99 1tj4 s ALA 38 Ca -0.06 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1tj4 s ALA 38 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1tj4 s ALA 38 CO 0.05 -0.02 0.29 0.71 0.00 0.00 0.00 175.76 176.79 1tj4 s TYR 39 N 0.89 3.22 -0.69 0.00 4.12 -1.11 -1.40 117.35 122.38 1tj4 s TYR 39 Ca -0.11 -0.04 -0.10 0.00 0.02 0.00 0.00 57.07 56.84 1tj4 s TYR 39 Cb -0.14 -2.55 0.18 0.00 -1.52 0.00 0.00 41.96 37.94 1tj4 s TYR 39 CO -0.00 -0.35 0.58 0.00 0.02 0.00 0.00 175.55 175.80 1tj4 s ALA 40 N 1.87 3.79 0.43 3.71 0.00 0.44 0.20 121.76 132.20 1tj4 s ALA 40 Ca 0.09 -3.15 0.07 0.00 0.00 0.00 0.00 51.96 48.97 1tj4 s ALA 40 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1tj4 s ALA 40 CO 0.11 -2.15 0.29 -0.08 0.00 0.00 0.00 175.76 173.93 1tj4 s THR 41 N 0.33 2.34 -0.88 0.00 -1.32 0.31 -3.79 115.64 112.64 1tj4 s THR 41 Ca 0.15 -1.52 0.22 0.00 -1.21 0.00 0.00 61.69 59.33 1tj4 s THR 41 Cb -0.17 -2.86 -0.16 0.00 -1.51 0.00 0.00 72.50 67.80 1tj4 s THR 41 CO -0.05 0.00 1.03 0.61 -2.21 0.00 0.00 174.62 174.00 1tj4 n GLY 42 N -1.45 -1.10 3.80 6.08 0.00 -1.26 -0.35 105.19 110.91 1tj4 n GLY 42 Ca 0.01 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1tj4 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tj4 s ARG 43 N -3.06 3.15 0.61 1.61 0.52 -1.26 -3.80 118.95 116.72 1tj4 s ARG 43 Ca 0.07 1.17 -0.15 0.00 -0.52 0.00 0.00 55.73 56.31 1tj4 s ARG 43 Cb 0.16 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1tj4 s ARG 43 CO 0.82 -0.94 1.06 -1.54 0.02 0.00 0.00 175.30 174.71 1tj4 s SER 44 N -2.99 5.72 0.24 0.23 1.04 -1.26 -0.52 113.70 116.16 1tj4 s SER 44 Ca 0.63 1.76 -0.06 0.00 0.48 0.00 0.00 55.95 58.76 1tj4 s SER 44 Cb -0.16 -2.52 0.42 0.00 0.10 0.00 0.00 66.02 63.86 1tj4 s SER 44 CO 0.42 -1.21 1.68 0.22 0.98 0.00 0.00 173.24 175.32 1tj4 h TYR 45 N 0.20 0.18 -0.79 5.02 3.20 -1.93 0.37 116.97 123.21 1tj4 h TYR 45 Ca -0.46 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.46 1tj4 h TYR 45 Cb 1.22 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 1tj4 h TYR 45 CO 0.59 -0.12 0.52 1.25 -1.64 0.00 0.00 178.16 178.77 1tj4 h HIS 46 N 0.22 1.01 -0.14 -3.82 2.76 -1.99 0.49 115.15 113.67 1tj4 h HIS 46 Ca 0.39 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.46 1tj4 h HIS 46 Cb 0.67 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1tj4 h HIS 46 CO -0.30 0.64 -0.44 1.03 -1.30 0.00 0.00 177.93 177.57 1tj4 h SER 47 N 1.08 0.35 -0.30 3.26 0.87 -1.18 -1.99 113.55 115.64 1tj4 h SER 47 Ca 0.29 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1tj4 h SER 47 Cb -0.11 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1tj4 h SER 47 CO -0.06 0.75 -0.09 0.00 -0.53 0.00 0.00 176.83 176.90 1tj4 h ALA 48 N 1.27 0.42 -0.44 6.23 0.00 0.23 -2.39 119.26 124.58 1tj4 h ALA 48 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1tj4 h ALA 48 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1tj4 h ALA 48 CO 0.07 0.26 0.23 0.00 0.00 0.00 0.00 179.25 179.81 1tj4 h ARG 49 N 0.36 0.60 0.12 0.00 2.47 -0.75 -1.77 114.38 115.40 1tj4 h ARG 49 Ca 0.07 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1tj4 h ARG 49 Cb 0.58 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1tj4 h ARG 49 CO 0.03 0.45 -0.06 1.49 0.56 0.00 0.00 179.97 182.45 1tj4 h GLU 50 N 0.61 -0.15 -0.95 0.04 4.57 -1.17 -2.78 114.58 114.74 1tj4 h GLU 50 Ca 0.16 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.53 1tj4 h GLU 50 Cb 0.04 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.56 1tj4 h GLU 50 CO -0.02 0.18 0.53 1.25 -1.18 0.00 0.00 179.01 179.77 1tj4 h LEU 51 N -0.50 0.65 -1.04 1.64 5.85 -1.08 0.15 115.31 120.97 1tj4 h LEU 51 Ca -0.02 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1tj4 h LEU 51 Cb 0.40 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1tj4 h LEU 51 CO 0.03 0.21 0.64 -0.61 -0.34 0.00 0.00 178.44 178.37 1tj4 h GLN 52 N 0.67 1.20 -0.35 1.25 4.15 -1.15 0.95 115.11 121.83 1tj4 h GLN 52 Ca 0.55 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.79 1tj4 h GLN 52 Cb 0.87 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1tj4 h GLN 52 CO -0.40 0.79 -0.18 0.87 -1.93 0.00 0.00 178.83 177.98 1tj4 h LYS 53 N 1.23 0.75 0.81 1.69 1.57 -0.50 0.56 116.57 122.67 1tj4 h LYS 53 Ca 0.39 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1tj4 h LYS 53 Cb 0.01 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1tj4 h LYS 53 CO -0.12 0.94 -0.41 0.37 -0.57 0.00 0.00 179.45 179.66 1tj4 h GLN 54 N 0.53 -1.07 -0.00 3.15 4.15 -0.30 -3.32 115.11 118.24 1tj4 h GLN 54 Ca 0.08 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1tj4 h GLN 54 Cb 0.72 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1tj4 h GLN 54 CO 0.05 -0.72 -0.78 1.33 -1.93 0.00 0.00 178.83 176.79 1tj4 n VAL 55 N -5.58 0.00 -2.10 2.39 0.24 0.25 -5.01 118.33 108.52 1tj4 n VAL 55 Ca -0.15 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.34 62.05 1tj4 n VAL 55 Cb 0.45 0.98 0.01 0.00 -1.47 0.00 0.00 33.84 33.81 1tj4 n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tj4 n GLY 56 N 1.47 0.39 3.76 7.63 0.00 0.19 -5.01 105.19 113.63 1tj4 n GLY 56 Ca 0.06 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1tj4 n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tj4 s LEU 57 N -2.94 4.48 0.45 0.99 1.43 -1.00 -4.97 118.68 117.11 1tj4 s LEU 57 Ca 0.02 2.48 -0.23 0.00 -1.03 0.00 0.00 54.13 55.37 1tj4 s LEU 57 Cb -0.00 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1tj4 s LEU 57 CO 0.12 -0.37 1.17 0.00 0.23 0.00 0.00 176.35 177.50 1tj4 s MET 58 N -1.42 3.80 0.06 1.70 0.23 -1.26 -4.91 119.30 117.51 1tj4 s MET 58 Ca 0.48 1.80 -0.30 0.00 -1.03 0.00 0.00 55.69 56.64 1tj4 s MET 58 Cb -0.36 -2.46 -0.09 0.00 -1.53 0.00 0.00 34.83 30.39 1tj4 s MET 58 CO 0.46 -0.52 1.81 -2.00 -2.03 0.00 0.00 175.02 172.74 1tj4 s GLU 59 N -2.62 4.16 0.65 3.16 2.56 -1.26 -5.00 118.70 120.35 1tj4 s GLU 59 Ca 0.62 2.49 -0.04 0.00 0.00 0.00 0.00 54.97 58.05 1tj4 s GLU 59 Cb -0.29 -3.82 0.05 0.00 2.00 0.00 0.00 34.13 32.07 1tj4 s GLU 59 CO 0.36 -0.85 0.93 -1.25 -0.56 0.00 0.00 175.26 173.89 1tj4 s PRO 60 N 3.41 2.29 -0.00 4.30 0.04 -1.26 -4.99 135.00 138.79 1tj4 s PRO 60 Ca 0.81 -0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 1tj4 s PRO 60 Cb -0.42 -2.29 -0.33 0.00 0.04 0.00 0.00 34.50 31.50 1tj4 s PRO 60 CO 0.36 -1.07 0.85 -0.44 0.04 0.00 0.00 177.00 176.75 1tj4 h ASP 61 N -0.37 0.73 -4.51 6.66 3.32 -0.52 -3.47 116.42 118.27 1tj4 h ASP 61 Ca -0.43 -0.90 -0.26 0.00 0.02 0.00 0.00 57.03 55.45 1tj4 h ASP 61 Cb 1.31 -0.24 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 1tj4 h ASP 61 CO 0.57 1.73 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.80 1tj4 s TYR 62 N -2.59 0.94 -0.20 4.55 1.51 -0.94 -4.23 117.35 116.39 1tj4 s TYR 62 Ca -0.12 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 1tj4 s TYR 62 Cb 0.05 -0.53 0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1tj4 s TYR 62 CO 0.90 -0.09 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.52 1tj4 s TRP 63 N -3.08 2.76 -0.78 2.71 0.52 -0.81 -2.73 118.94 117.53 1tj4 s TRP 63 Ca 0.08 -1.73 -0.11 0.00 0.02 0.00 0.00 56.10 54.36 1tj4 s TRP 63 Cb 0.01 -1.84 0.20 0.00 -1.15 0.00 0.00 33.47 30.70 1tj4 s TRP 63 CO -0.03 -0.80 0.69 -0.51 0.02 0.00 0.00 176.95 176.33 1tj4 s LEU 64 N 1.29 6.40 0.50 2.99 1.43 0.13 -0.85 118.68 130.56 1tj4 s LEU 64 Ca 0.01 -2.72 0.02 0.00 -1.03 0.00 0.00 54.13 50.41 1tj4 s LEU 64 Cb -0.15 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1tj4 s LEU 64 CO -0.10 -0.53 0.70 0.42 0.23 0.00 0.00 176.35 177.07 1tj4 s THR 65 N 0.12 3.10 -1.37 5.49 -4.23 0.17 -0.53 115.64 118.38 1tj4 s THR 65 Ca 0.18 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1tj4 s THR 65 Cb -0.13 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1tj4 s THR 65 CO -0.07 -0.08 0.45 0.00 -0.54 0.00 0.00 174.62 174.37 1tj4 n ALA 66 N -2.17 -2.10 -3.05 3.99 0.00 0.32 -1.05 120.51 116.45 1tj4 n ALA 66 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1tj4 n ALA 66 Cb 0.59 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.28 1tj4 n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tj4 n VAL 67 N -4.40 -1.85 -0.89 0.00 0.31 0.52 -1.78 118.33 110.23 1tj4 n VAL 67 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1tj4 n VAL 67 Cb 0.67 -3.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.36 1tj4 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tj4 n GLY 68 N -1.47 0.54 0.10 2.92 0.00 -0.21 -2.68 105.19 104.39 1tj4 n GLY 68 Ca -0.10 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1tj4 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tj4 h SER 69 N 0.00 0.00 -3.15 1.61 4.64 -0.57 -3.44 113.55 112.64 1tj4 h SER 69 Ca 0.00 -0.10 -0.45 0.00 -0.47 0.00 0.00 61.79 60.78 1tj4 h SER 69 Cb 0.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.69 1tj4 h SER 69 CO 0.00 0.05 -0.75 -1.61 -0.87 0.00 0.00 176.83 173.65 1tj4 s GLU 70 N -3.19 0.15 -0.16 4.77 2.02 -0.99 -4.85 118.70 116.45 1tj4 s GLU 70 Ca 0.06 -0.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 1tj4 s GLU 70 Cb 0.11 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 1tj4 s GLU 70 CO 0.70 -0.56 0.08 0.42 0.02 0.00 0.00 175.26 175.91 1tj4 s ILE 71 N 2.10 4.94 -0.17 -1.63 1.01 -1.26 -0.66 121.20 125.52 1tj4 s ILE 71 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1tj4 s ILE 71 Cb -0.15 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.15 1tj4 s ILE 71 CO -0.07 0.51 -0.20 -0.31 0.00 0.00 0.00 174.94 174.87 1tj4 s TYR 72 N -0.10 2.71 0.63 3.97 2.02 -0.03 -1.07 117.35 125.47 1tj4 s TYR 72 Ca 0.08 -1.59 0.00 0.00 -0.37 0.00 0.00 57.07 55.19 1tj4 s TYR 72 Cb -0.12 -1.88 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 1tj4 s TYR 72 CO 0.01 -0.78 0.88 -1.01 -1.57 0.00 0.00 175.55 173.07 1tj4 s HIS 73 N 1.28 2.29 0.23 2.71 3.76 0.30 -1.93 115.29 123.94 1tj4 s HIS 73 Ca 0.04 -0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.76 1tj4 s HIS 73 Cb -0.13 -2.85 0.28 0.00 1.11 0.00 0.00 32.58 30.98 1tj4 s HIS 73 CO -0.12 -1.25 1.86 -1.35 -0.85 0.00 0.00 174.74 173.03 1tj4 h PRO 74 N -0.20 0.94 0.00 8.40 0.11 -1.96 -0.43 132.00 138.86 1tj4 h PRO 74 Ca -0.39 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1tj4 h PRO 74 Cb 1.29 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tj4 h PRO 74 CO 0.47 0.62 -0.03 0.93 -0.21 0.00 0.00 178.00 179.79 1tj4 h GLU 75 N 0.97 0.00 0.00 1.05 3.07 -1.96 -3.48 114.58 114.23 1tj4 h GLU 75 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1tj4 h GLU 75 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1tj4 h GLU 75 CO -0.14 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 177.91 1tj4 n GLY 76 N -0.98 0.86 3.71 -3.84 0.00 -0.17 -5.10 105.19 99.68 1tj4 n GLY 76 Ca -0.02 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1tj4 n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tj4 n LEU 77 N 0.00 3.75 -4.51 0.99 7.94 -1.26 -0.54 117.00 123.37 1tj4 n LEU 77 Ca 0.00 1.21 -0.42 0.00 -1.11 0.00 0.00 56.01 55.69 1tj4 n LEU 77 Cb 0.00 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.41 1tj4 n LEU 77 CO 0.00 -0.38 0.96 -0.62 -1.11 0.00 0.00 177.39 176.24 1tj4 s ASP 78 N -0.27 6.20 0.53 1.96 -1.08 -0.23 -4.84 116.67 118.93 1tj4 s ASP 78 Ca 0.55 -0.62 0.30 0.00 -0.52 0.00 0.00 52.55 52.26 1tj4 s ASP 78 Cb -0.55 -2.49 1.43 0.00 -1.46 0.00 0.00 42.92 39.84 1tj4 s ASP 78 CO 0.62 -1.60 2.03 -0.61 0.52 0.00 0.00 175.17 176.13 1tj4 h GLN 79 N 9.75 0.00 -0.19 4.34 5.75 -1.91 -2.10 115.11 130.75 1tj4 h GLN 79 Ca -0.28 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 1tj4 h GLN 79 Cb 1.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1tj4 h GLN 79 CO 1.22 0.10 -0.18 1.25 -2.65 0.00 0.00 178.83 178.56 1tj4 h HIS 80 N 0.00 0.56 -0.43 3.99 2.76 -1.99 -1.32 115.15 118.72 1tj4 h HIS 80 Ca -0.00 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1tj4 h HIS 80 Cb 0.43 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1tj4 h HIS 80 CO 0.00 0.82 0.24 2.35 -1.30 0.00 0.00 177.93 180.04 1tj4 h TRP 81 N 0.13 0.57 -0.92 5.26 -0.00 -1.89 0.71 115.95 119.81 1tj4 h TRP 81 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1tj4 h TRP 81 Cb 0.72 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.16 29.65 1tj4 h TRP 81 CO 0.08 0.42 0.59 0.00 -0.00 0.00 0.00 178.44 179.54 1tj4 h ALA 82 N 1.10 1.31 0.00 2.65 0.00 -1.33 0.99 119.26 123.98 1tj4 h ALA 82 Ca 0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1tj4 h ALA 82 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1tj4 h ALA 82 CO -0.03 0.63 -0.66 -0.44 0.00 0.00 0.00 179.25 178.75 1tj4 h ASP 83 N 1.26 0.00 -0.30 0.00 3.32 -0.80 -2.16 116.42 117.73 1tj4 h ASP 83 Ca 0.34 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.21 1tj4 h ASP 83 Cb -0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1tj4 h ASP 83 CO -0.07 0.66 -0.51 0.22 -1.72 0.00 0.00 179.24 177.82 1tj4 h TYR 84 N 0.00 1.10 0.00 4.55 5.03 0.05 -3.09 116.97 124.61 1tj4 h TYR 84 Ca -0.01 -0.38 -0.11 0.00 2.58 0.00 0.00 58.73 60.81 1tj4 h TYR 84 Cb 1.25 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 1tj4 h TYR 84 CO 0.00 1.21 -0.53 -0.07 -1.32 0.00 0.00 178.16 177.45 1tj4 h LEU 85 N 0.69 0.00 -1.53 2.82 3.38 -0.80 -3.26 115.31 116.62 1tj4 h LEU 85 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1tj4 h LEU 85 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1tj4 h LEU 85 CO 0.12 0.53 -0.24 0.28 0.09 0.00 0.00 178.44 179.21 1tj4 h SER 86 N 0.00 0.00 -2.60 -0.43 0.02 -1.31 -3.41 113.55 105.82 1tj4 h SER 86 Ca -0.01 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.42 1tj4 h SER 86 Cb 1.19 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.77 1tj4 h SER 86 CO 0.07 0.24 1.06 -1.61 -1.14 0.00 0.00 176.83 175.45 1tj4 s GLU 87 N -4.23 4.14 0.00 3.45 2.02 -1.21 -2.06 118.70 120.81 1tj4 s GLU 87 Ca -0.03 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1tj4 s GLU 87 Cb 0.14 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1tj4 s GLU 87 CO 0.67 -0.79 0.00 0.72 0.02 0.00 0.00 175.26 175.88 1tj4 n HIS 88 N 5.11 0.00 -3.28 1.61 8.25 -1.26 -4.95 115.22 120.70 1tj4 n HIS 88 Ca 0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.23 1tj4 n HIS 88 Cb 0.38 -1.45 -0.08 0.00 1.12 0.00 0.00 29.99 29.95 1tj4 n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1tj4 s TRP 89 N -1.30 3.25 -0.57 4.41 -0.11 -0.88 -4.34 118.94 119.40 1tj4 s TRP 89 Ca 0.00 0.50 0.01 0.00 1.22 0.00 0.00 56.10 57.83 1tj4 s TRP 89 Cb 0.00 -2.71 0.14 0.00 -1.50 0.00 0.00 33.47 29.41 1tj4 s TRP 89 CO 0.00 -0.31 0.34 -0.65 -4.62 0.00 0.00 176.95 171.72 1tj4 s GLN 90 N 2.25 2.24 0.19 5.86 -1.52 -1.26 -4.97 119.66 122.46 1tj4 s GLN 90 Ca 0.19 -2.59 -0.12 0.00 -1.95 0.00 0.00 55.36 50.89 1tj4 s GLN 90 Cb -0.16 -3.50 0.14 0.00 -0.22 0.00 0.00 33.01 29.27 1tj4 s GLN 90 CO 0.10 -1.14 1.83 -0.09 -0.25 0.00 0.00 175.29 175.75 1tj4 h ARG 91 N 6.72 0.73 -0.59 2.91 2.43 -1.95 -3.07 114.38 121.56 1tj4 h ARG 91 Ca -0.05 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1tj4 h ARG 91 Cb 0.92 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1tj4 h ARG 91 CO 0.70 0.48 0.34 -0.44 -1.51 0.00 0.00 179.97 179.54 1tj4 h ASP 92 N 0.75 0.53 0.29 -3.80 5.19 -1.96 -0.93 116.42 116.48 1tj4 h ASP 92 Ca 0.24 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1tj4 h ASP 92 Cb 0.01 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1tj4 h ASP 92 CO -0.09 0.36 -0.14 0.40 -3.12 0.00 0.00 179.24 176.65 1tj4 h ILE 93 N 0.66 0.74 -0.66 0.35 2.04 -1.99 -0.90 117.51 117.76 1tj4 h ILE 93 Ca 0.25 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1tj4 h ILE 93 Cb 0.08 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1tj4 h ILE 93 CO -0.13 0.04 0.29 -0.07 0.00 0.00 0.00 178.15 178.28 1tj4 h LEU 94 N -0.48 0.34 -0.81 1.44 3.38 -1.43 -1.60 115.31 116.16 1tj4 h LEU 94 Ca -0.04 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1tj4 h LEU 94 Cb 0.36 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1tj4 h LEU 94 CO 0.06 0.19 0.14 -0.61 0.09 0.00 0.00 178.44 178.32 1tj4 h GLN 95 N 0.50 1.03 -0.55 1.13 4.15 -1.02 -0.76 115.11 119.60 1tj4 h GLN 95 Ca 0.33 -0.24 0.05 0.00 0.77 0.00 0.00 58.65 59.55 1tj4 h GLN 95 Cb 0.38 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 1tj4 h GLN 95 CO -0.29 0.93 0.28 0.00 -1.93 0.00 0.00 178.83 177.81 1tj4 h ALA 96 N 1.17 0.70 0.37 3.38 0.00 -0.21 0.28 119.26 124.95 1tj4 h ALA 96 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1tj4 h ALA 96 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1tj4 h ALA 96 CO 0.00 -0.07 -0.18 0.82 0.00 0.00 0.00 179.25 179.83 1tj4 h ILE 97 N 0.53 0.64 -0.41 0.00 2.04 -1.01 -2.81 117.51 116.48 1tj4 h ILE 97 Ca 0.24 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1tj4 h ILE 97 Cb 0.16 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1tj4 h ILE 97 CO -0.17 0.06 0.09 0.00 0.00 0.00 0.00 178.15 178.13 1tj4 h ALA 98 N -0.12 0.45 -0.48 1.87 0.00 -0.81 -0.33 119.26 119.84 1tj4 h ALA 98 Ca -0.05 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1tj4 h ALA 98 Cb 0.48 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1tj4 h ALA 98 CO 0.08 -0.31 0.37 -0.44 0.00 0.00 0.00 179.25 178.95 1tj4 h ASP 99 N 0.22 0.00 0.26 0.00 3.32 -0.44 -1.39 116.42 118.39 1tj4 h ASP 99 Ca 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1tj4 h ASP 99 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1tj4 h ASP 99 CO -0.26 0.00 -0.08 1.23 -1.72 0.00 0.00 179.24 178.41 1tj4 h GLY 100 N 0.00 0.00 -4.93 2.75 0.00 -0.78 -3.42 103.07 96.68 1tj4 h GLY 100 Ca 0.23 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.00 1tj4 h GLY 100 CO -0.00 0.00 0.76 -1.36 0.00 0.00 0.00 176.54 175.94 1tj4 s PHE 101 N -4.31 3.15 0.41 5.60 0.08 -0.53 -4.91 117.98 117.48 1tj4 s PHE 101 Ca -0.03 1.25 0.22 0.00 0.12 0.00 0.00 56.93 58.48 1tj4 s PHE 101 Cb 0.14 -3.39 1.22 0.00 -0.57 0.00 0.00 43.02 40.42 1tj4 s PHE 101 CO 0.57 -1.14 2.01 1.05 -0.10 0.00 0.00 175.22 177.61 1tj4 h GLU 102 N 7.63 0.00 0.00 0.44 4.11 -1.88 -2.46 114.58 122.42 1tj4 h GLU 102 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1tj4 h GLU 102 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1tj4 h GLU 102 CO 0.92 0.17 0.00 0.00 0.07 0.00 0.00 179.01 180.17 1tj4 h ALA 103 N 1.83 1.00 -2.89 1.06 0.00 -1.95 -3.44 119.26 114.86 1tj4 h ALA 103 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1tj4 h ALA 103 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1tj4 h ALA 103 CO 0.02 0.00 -0.39 -0.51 0.00 0.00 0.00 179.25 178.37 1tj4 s LEU 104 N -5.83 4.33 -0.07 0.00 1.43 -0.93 -1.06 118.68 116.56 1tj4 s LEU 104 Ca 0.06 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1tj4 s LEU 104 Cb 0.07 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1tj4 s LEU 104 CO 0.61 0.26 -0.20 -0.54 0.23 0.00 0.00 176.35 176.71 1tj4 s LYS 105 N -0.36 2.33 0.43 1.70 3.01 -0.65 -4.85 119.74 121.35 1tj4 s LYS 105 Ca 0.16 -0.73 -0.26 0.00 -1.01 0.00 0.00 55.97 54.13 1tj4 s LYS 105 Cb -0.13 -1.90 -0.09 0.00 -1.01 0.00 0.00 37.83 34.70 1tj4 s LYS 105 CO 0.04 0.23 1.42 -2.30 0.51 0.00 0.00 175.35 175.25 1tj4 n PRO 106 N 3.30 2.27 -2.28 -1.68 -0.02 -1.26 -0.24 135.00 135.09 1tj4 n PRO 106 Ca -0.19 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 61.83 1tj4 n PRO 106 Cb 0.52 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1tj4 n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1tj4 s GLN 107 N -2.35 2.68 0.41 -0.52 -0.21 -0.83 -4.75 119.66 114.09 1tj4 s GLN 107 Ca 0.60 -0.04 -0.23 0.00 0.02 0.00 0.00 55.36 55.71 1tj4 s GLN 107 Cb -0.46 -2.21 -0.13 0.00 1.00 0.00 0.00 33.01 31.21 1tj4 s GLN 107 CO 0.59 -0.91 0.59 0.45 -2.12 0.00 0.00 175.29 173.89 1tj4 n SER 108 N -2.74 -0.67 0.03 5.90 2.88 -1.26 -4.80 113.62 112.96 1tj4 n SER 108 Ca 0.06 0.94 0.21 0.00 -1.33 0.00 0.00 58.87 58.75 1tj4 n SER 108 Cb 0.58 -1.13 0.73 0.00 -0.75 0.00 0.00 64.21 63.64 1tj4 n SER 108 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1tj4 h PRO 109 N 0.90 0.00 0.00 -1.46 0.11 -1.96 0.54 132.00 130.13 1tj4 h PRO 109 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1tj4 h PRO 109 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1tj4 h PRO 109 CO 0.52 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.59 1tj4 n LEU 110 N -4.04 0.30 -0.68 2.35 4.77 -1.26 -2.11 117.00 116.32 1tj4 n LEU 110 Ca 0.09 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1tj4 n LEU 110 Cb 0.64 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.61 1tj4 n LEU 110 CO 0.32 -0.21 0.77 -0.62 -1.33 0.00 0.00 177.39 176.32 1tj4 n GLU 111 N -1.80 1.91 -4.10 3.23 -0.58 0.18 -4.81 120.64 114.67 1tj4 n GLU 111 Ca 0.05 -1.35 -0.29 0.00 -0.42 0.00 0.00 57.16 55.15 1tj4 n GLU 111 Cb 0.29 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.65 1tj4 n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1tj4 s GLN 112 N -1.82 2.72 0.25 3.49 -1.52 -0.90 -4.61 119.66 117.28 1tj4 s GLN 112 Ca 0.34 -0.84 -0.15 0.00 -1.95 0.00 0.00 55.36 52.77 1tj4 s GLN 112 Cb 0.19 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.39 1tj4 s GLN 112 CO 0.29 0.52 0.54 0.54 -0.25 0.00 0.00 175.29 176.93 1tj4 s ASN 113 N -2.63 -0.13 0.47 5.90 2.20 -0.95 -4.98 114.94 114.82 1tj4 s ASN 113 Ca 0.28 -0.84 0.30 0.00 -0.94 0.00 0.00 52.86 51.66 1tj4 s ASN 113 Cb -0.11 0.62 1.38 0.00 -2.00 0.00 0.00 41.25 41.14 1tj4 s ASN 113 CO 0.21 -1.19 1.73 -0.65 -2.94 0.00 0.00 177.10 174.26 1tj4 h PRO 114 N 2.19 0.16 -0.22 3.55 0.11 -2.00 -1.49 132.00 134.30 1tj4 h PRO 114 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1tj4 h PRO 114 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1tj4 h PRO 114 CO 0.32 0.10 0.00 0.91 -0.21 0.00 0.00 178.00 179.13 1tj4 n TRP 115 N -4.44 0.55 -3.69 0.65 8.01 -1.26 -4.78 117.44 112.48 1tj4 n TRP 115 Ca 0.30 -0.73 -0.18 0.00 -1.31 0.00 0.00 57.50 55.58 1tj4 n TRP 115 Cb 1.23 -0.17 -0.17 0.00 -2.01 0.00 0.00 31.31 30.19 1tj4 n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1tj4 s LYS 116 N -2.05 -0.03 -0.29 -0.99 2.20 -0.56 -4.01 119.74 114.01 1tj4 s LYS 116 Ca 0.30 0.40 0.02 0.00 -0.36 0.00 0.00 55.97 56.33 1tj4 s LYS 116 Cb 0.22 -0.38 0.07 0.00 -1.51 0.00 0.00 37.83 36.24 1tj4 s LYS 116 CO 0.09 -0.28 -0.05 0.42 -0.36 0.00 0.00 175.35 175.17 1tj4 s ILE 117 N 1.95 2.41 0.03 5.43 1.01 -0.55 -2.24 121.20 129.24 1tj4 s ILE 117 Ca 0.01 -1.71 0.03 0.00 0.00 0.00 0.00 60.65 58.99 1tj4 s ILE 117 Cb -0.12 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1tj4 s ILE 117 CO -0.04 -0.16 -0.04 -0.44 0.00 0.00 0.00 174.94 174.26 1tj4 s SER 118 N 1.13 4.79 0.21 3.58 0.01 -1.26 0.02 113.70 122.19 1tj4 s SER 118 Ca -0.04 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.08 1tj4 s SER 118 Cb -0.20 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 1tj4 s SER 118 CO -0.05 0.25 0.14 -0.31 0.41 0.00 0.00 173.24 173.69 1tj4 s TYR 119 N -1.09 1.23 -0.09 2.43 1.51 0.64 -1.96 117.35 120.03 1tj4 s TYR 119 Ca 0.19 -1.39 0.04 0.00 -1.01 0.00 0.00 57.07 54.91 1tj4 s TYR 119 Cb -0.11 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1tj4 s TYR 119 CO 0.11 -0.63 -0.22 -1.01 -1.11 0.00 0.00 175.55 172.68 1tj4 s HIS 120 N -4.07 2.57 -0.06 2.71 3.76 0.67 -0.83 115.29 120.03 1tj4 s HIS 120 Ca 0.39 -0.85 -0.22 0.00 -0.15 0.00 0.00 55.06 54.23 1tj4 s HIS 120 Cb 0.07 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 1tj4 s HIS 120 CO 0.13 -0.30 0.64 -1.17 -0.85 0.00 0.00 174.74 173.19 1tj4 s LEU 121 N 0.15 4.33 0.19 0.89 2.96 0.17 -1.64 118.68 125.73 1tj4 s LEU 121 Ca -0.12 1.12 -0.33 0.00 -0.22 0.00 0.00 54.13 54.58 1tj4 s LEU 121 Cb -0.16 -2.98 -0.13 0.00 0.50 0.00 0.00 46.19 43.42 1tj4 s LEU 121 CO 0.07 -0.05 1.63 -0.67 -1.32 0.00 0.00 176.35 176.01 1tj4 n ASP 122 N 3.55 3.52 0.33 3.68 -0.08 -0.22 -4.76 116.55 122.56 1tj4 n ASP 122 Ca -0.03 1.08 0.21 0.00 -1.51 0.00 0.00 54.79 54.54 1tj4 n ASP 122 Cb 0.51 -1.50 1.16 0.00 2.34 0.00 0.00 41.12 43.64 1tj4 n ASP 122 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1tj4 h PRO 123 N 6.13 0.00 -0.00 -0.67 0.11 -1.92 -0.13 132.00 135.52 1tj4 h PRO 123 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1tj4 h PRO 123 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1tj4 h PRO 123 CO 0.91 0.00 -0.70 1.04 -0.21 0.00 0.00 178.00 179.03 1tj4 n GLN 124 N -3.21 0.06 -2.36 1.05 6.02 -1.26 -4.94 117.38 112.75 1tj4 n GLN 124 Ca -0.03 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 1tj4 n GLN 124 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1tj4 n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tj4 s ALA 125 N -2.97 3.00 -0.17 -1.58 0.00 -0.06 -5.01 121.76 114.96 1tj4 s ALA 125 Ca 0.10 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 1tj4 s ALA 125 Cb 0.17 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1tj4 s ALA 125 CO 0.76 -0.33 0.94 0.00 0.00 0.00 0.00 175.76 177.13 1tj4 h PRO 127 N 7.33 0.00 0.00 0.00 0.11 -1.95 -0.97 132.00 136.52 1tj4 h PRO 127 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1tj4 h PRO 127 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tj4 h PRO 127 CO 0.88 0.00 0.06 0.25 -0.21 0.00 0.00 178.00 178.99 1tj4 n THR 128 N -3.83 1.41 0.20 -1.15 -2.24 -1.26 -0.33 114.28 107.08 1tj4 n THR 128 Ca 0.04 0.61 0.04 0.00 -2.27 0.00 0.00 64.05 62.47 1tj4 n THR 128 Cb 0.45 -1.61 0.41 0.00 -2.10 0.00 0.00 70.33 67.48 1tj4 n THR 128 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1tj4 h VAL 129 N 0.00 1.21 0.00 2.28 3.04 -1.58 -2.12 116.25 119.09 1tj4 h VAL 129 Ca 0.00 -1.06 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 1tj4 h VAL 129 Cb 0.12 1.57 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1tj4 h VAL 129 CO 0.00 0.30 -0.04 0.40 -1.01 0.00 0.00 177.57 177.22 1tj4 h ILE 130 N 0.00 0.12 0.16 3.17 2.04 -0.90 0.25 117.51 122.34 1tj4 h ILE 130 Ca -0.00 -0.56 -0.29 0.00 1.00 0.00 0.00 64.86 65.01 1tj4 h ILE 130 Cb 0.55 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1tj4 h ILE 130 CO 0.04 0.04 -1.32 0.44 0.00 0.00 0.00 178.15 177.35 1tj4 h ASP 131 N 0.00 0.51 -0.40 1.72 3.32 -1.53 -0.68 116.42 119.37 1tj4 h ASP 131 Ca -0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 1tj4 h ASP 131 Cb 0.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1tj4 h ASP 131 CO 0.01 1.44 0.19 -0.61 -1.72 0.00 0.00 179.24 178.55 1tj4 h GLN 132 N 0.09 0.57 -0.17 3.56 4.15 -1.00 -1.19 115.11 121.12 1tj4 h GLN 132 Ca -0.17 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1tj4 h GLN 132 Cb 2.02 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 1tj4 h GLN 132 CO 0.22 0.50 0.06 1.25 -1.93 0.00 0.00 178.83 178.92 1tj4 h LEU 133 N 0.50 0.24 -0.30 -2.39 5.85 -0.54 -2.21 115.31 116.46 1tj4 h LEU 133 Ca 0.14 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1tj4 h LEU 133 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1tj4 h LEU 133 CO -0.02 0.37 -0.03 0.74 -0.34 0.00 0.00 178.44 179.17 1tj4 h THR 134 N 0.10 0.75 -0.28 1.05 2.02 -0.80 -0.11 112.91 115.64 1tj4 h THR 134 Ca 0.05 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 1tj4 h THR 134 Cb 0.22 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1tj4 h THR 134 CO -0.00 0.01 -0.28 1.05 0.37 0.00 0.00 175.52 176.67 1tj4 h GLU 135 N 0.06 0.57 -0.74 6.66 4.11 -1.21 0.23 114.58 124.25 1tj4 h GLU 135 Ca 0.15 -0.23 -0.05 0.00 0.07 0.00 0.00 59.36 59.29 1tj4 h GLU 135 Cb 0.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1tj4 h GLU 135 CO -0.27 0.79 0.26 1.98 0.07 0.00 0.00 179.01 181.84 1tj4 h MET 136 N 0.49 1.13 0.02 1.06 4.05 -0.81 0.10 114.93 120.98 1tj4 h MET 136 Ca 0.07 -0.22 -0.19 0.00 -0.28 0.00 0.00 59.70 59.08 1tj4 h MET 136 Cb 0.74 -0.17 0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1tj4 h MET 136 CO 0.06 0.94 -0.74 -0.07 0.23 0.00 0.00 176.91 177.33 1tj4 h LEU 137 N 1.09 0.61 -1.58 3.39 3.38 -0.81 -3.25 115.31 118.15 1tj4 h LEU 137 Ca 0.24 -0.78 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1tj4 h LEU 137 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1tj4 h LEU 137 CO -0.01 1.32 0.32 0.11 0.09 0.00 0.00 178.44 180.27 1tj4 h LYS 138 N -0.03 0.53 0.00 1.13 1.79 -0.33 -1.70 116.57 117.96 1tj4 h LYS 138 Ca -0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1tj4 h LYS 138 Cb 1.45 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1tj4 h LYS 138 CO 0.14 0.35 0.00 0.39 -1.08 0.00 0.00 179.45 179.26 1tj4 n GLU 139 N -4.47 0.27 -2.67 3.15 1.02 0.33 -4.56 120.64 113.71 1tj4 n GLU 139 Ca 0.05 0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.99 1tj4 n GLU 139 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1tj4 n GLU 139 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1tj4 s THR 140 N -2.59 4.70 0.58 2.62 -4.23 -0.64 -4.92 115.64 111.16 1tj4 s THR 140 Ca 0.18 0.82 0.40 0.00 -1.18 0.00 0.00 61.69 61.91 1tj4 s THR 140 Cb 0.13 -3.73 0.41 0.00 1.34 0.00 0.00 72.50 70.65 1tj4 s THR 140 CO 0.30 -0.60 2.29 1.23 -0.54 0.00 0.00 174.62 177.30 1tj4 h GLY 141 N 1.08 0.00 -5.26 3.99 0.00 -1.85 -3.45 103.07 97.58 1tj4 h GLY 141 Ca -0.47 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.26 1tj4 h GLY 141 CO 0.63 0.00 0.89 1.39 0.00 0.00 0.00 176.54 179.45 1tj4 n ILE 142 N -3.27 0.20 -2.14 2.60 5.41 -1.26 -4.90 119.36 116.00 1tj4 n ILE 142 Ca -0.03 -0.04 -0.36 0.00 1.00 0.00 0.00 62.75 63.33 1tj4 n ILE 142 Cb 0.11 -1.63 -0.04 0.00 -0.71 0.00 0.00 39.64 37.37 1tj4 n ILE 142 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1tj4 s PRO 143 N 2.00 2.74 0.35 0.38 0.04 -1.26 -4.78 135.00 134.46 1tj4 s PRO 143 Ca 0.84 0.15 0.09 0.00 0.04 0.00 0.00 61.00 62.12 1tj4 s PRO 143 Cb -0.69 -4.60 -0.06 0.00 0.04 0.00 0.00 34.50 29.19 1tj4 s PRO 143 CO 0.43 -2.80 0.00 0.08 0.04 0.00 0.00 177.00 174.75 1tj4 s VAL 144 N 8.66 2.52 0.01 -0.36 1.01 -1.26 -0.66 120.40 130.32 1tj4 s VAL 144 Ca 0.62 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1tj4 s VAL 144 Cb -0.10 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1tj4 s VAL 144 CO 0.12 -0.18 -0.03 -1.10 0.00 0.00 0.00 175.10 173.91 1tj4 s GLN 145 N -3.71 0.24 -0.18 2.72 -0.21 0.73 -4.34 119.66 114.90 1tj4 s GLN 145 Ca 0.35 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1tj4 s GLN 145 Cb 0.01 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.90 1tj4 s GLN 145 CO 0.19 0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 173.29 1tj4 s VAL 146 N -0.43 2.25 -0.22 1.09 1.01 -1.26 -1.75 120.40 121.09 1tj4 s VAL 146 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1tj4 s VAL 146 Cb -0.03 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1tj4 s VAL 146 CO -0.00 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.01 1tj4 s ILE 147 N 1.29 3.96 -0.25 2.22 1.01 0.81 -4.94 121.20 125.31 1tj4 s ILE 147 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1tj4 s ILE 147 Cb -0.13 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.57 1tj4 s ILE 147 CO -0.11 0.39 -0.10 0.12 0.00 0.00 0.00 174.94 175.24 1tj4 s PHE 148 N 1.35 3.15 0.11 3.97 5.99 -1.26 -0.07 117.98 131.23 1tj4 s PHE 148 Ca 0.04 -2.04 0.06 0.00 0.00 0.00 0.00 56.93 55.00 1tj4 s PHE 148 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 43.02 40.87 1tj4 s PHE 148 CO 0.01 -0.84 -0.14 -1.54 -0.00 0.00 0.00 175.22 172.72 1tj4 s SER 149 N 1.19 1.94 -1.23 6.13 1.04 -0.52 -4.29 113.70 117.97 1tj4 s SER 149 Ca -0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1tj4 s SER 149 Cb -0.18 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1tj4 s SER 149 CO -0.06 -0.13 0.00 -1.20 0.98 0.00 0.00 173.24 172.83 1tj4 n SER 150 N 0.66 -4.27 0.00 7.02 7.64 -1.26 -2.07 113.62 121.35 1tj4 n SER 150 Ca -0.16 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1tj4 n SER 150 Cb 0.56 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 1tj4 n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tj4 n GLY 151 N -0.01 1.14 0.25 0.23 0.00 -1.26 -4.70 105.19 100.84 1tj4 n GLY 151 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1tj4 n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tj4 n LYS 152 N -2.00 0.00 -2.43 1.61 2.85 -0.98 -4.78 118.16 112.43 1tj4 n LYS 152 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1tj4 n LYS 152 Cb 0.00 -0.63 -0.02 0.00 -0.65 0.00 0.00 35.03 33.73 1tj4 n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1tj4 s ASP 153 N -3.65 6.99 -0.14 -5.58 1.01 -0.88 0.44 116.67 114.86 1tj4 s ASP 153 Ca 0.00 1.79 0.02 0.00 0.71 0.00 0.00 52.55 55.07 1tj4 s ASP 153 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1tj4 s ASP 153 CO 0.00 -0.66 -0.20 -0.69 0.21 0.00 0.00 175.17 173.83 1tj4 s VAL 154 N 2.73 2.23 -0.10 -1.27 1.01 -0.01 -1.44 120.40 123.56 1tj4 s VAL 154 Ca 0.56 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tj4 s VAL 154 Cb -0.24 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1tj4 s VAL 154 CO 0.19 0.54 -0.18 -1.81 0.00 0.00 0.00 175.10 173.84 1tj4 s ASP 155 N 0.80 2.56 -0.34 3.32 1.01 0.90 -0.26 116.67 124.66 1tj4 s ASP 155 Ca -0.07 -0.46 -0.11 0.00 0.71 0.00 0.00 52.55 52.62 1tj4 s ASP 155 Cb -0.16 -1.17 -0.00 0.00 1.01 0.00 0.00 42.92 42.60 1tj4 s ASP 155 CO -0.01 0.08 0.20 -0.76 0.21 0.00 0.00 175.17 174.88 1tj4 s LEU 156 N 0.67 4.39 0.22 1.23 1.02 0.10 -0.13 118.68 126.18 1tj4 s LEU 156 Ca -0.13 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.51 1tj4 s LEU 156 Cb -0.16 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 1tj4 s LEU 156 CO 0.03 -0.25 -0.09 -0.76 0.02 0.00 0.00 176.35 175.31 1tj4 s LEU 157 N 1.65 2.47 0.69 1.79 1.43 -0.72 -1.48 118.68 124.50 1tj4 s LEU 157 Ca 0.05 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1tj4 s LEU 157 Cb -0.18 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.52 1tj4 s LEU 157 CO 0.08 -0.31 1.25 -2.65 0.23 0.00 0.00 176.35 174.95 1tj4 n PRO 158 N -0.41 0.88 0.25 1.29 -0.02 -1.26 -0.19 135.00 135.54 1tj4 n PRO 158 Ca -0.07 0.36 0.17 0.00 -2.02 0.00 0.00 63.50 61.94 1tj4 n PRO 158 Cb 0.62 -2.48 0.89 0.00 -0.02 0.00 0.00 33.50 32.51 1tj4 n PRO 158 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tj4 h GLN 159 N 0.18 0.00 -0.84 -0.52 4.15 -1.09 -2.02 115.11 114.97 1tj4 h GLN 159 Ca -0.50 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.37 1tj4 h GLN 159 Cb 1.33 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 28.71 1tj4 h GLN 159 CO 0.51 0.00 0.22 2.89 -1.93 0.00 0.00 178.83 180.52 1tj4 n ARG 160 N -3.63 2.80 0.00 1.69 1.85 -1.26 -4.68 116.66 113.44 1tj4 n ARG 160 Ca 0.00 -3.51 0.00 0.00 -1.00 0.00 0.00 57.85 53.34 1tj4 n ARG 160 Cb 0.26 -2.21 0.00 0.00 -1.05 0.00 0.00 32.46 29.46 1tj4 n ARG 160 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1tj4 n SER 161 N -0.91 0.50 -3.22 2.89 2.88 -0.76 -4.75 113.62 110.25 1tj4 n SER 161 Ca 0.53 -0.88 -0.26 0.00 -1.33 0.00 0.00 58.87 56.93 1tj4 n SER 161 Cb 0.90 0.10 0.24 0.00 -0.75 0.00 0.00 64.21 64.71 1tj4 n SER 161 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1tj4 n ASN 162 N -0.10 -3.54 0.18 -3.46 0.23 -1.25 -3.56 115.26 103.76 1tj4 n ASN 162 Ca 0.00 -0.80 0.04 0.00 -0.53 0.00 0.00 54.58 53.29 1tj4 n ASN 162 Cb 0.08 -0.84 0.45 0.00 -2.08 0.00 0.00 39.78 37.39 1tj4 n ASN 162 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1tj4 h LYS 163 N 0.00 0.09 -0.32 -3.83 1.57 -1.76 -2.35 116.57 109.96 1tj4 h LYS 163 Ca -0.34 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1tj4 h LYS 163 Cb 1.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1tj4 h LYS 163 CO 0.20 0.27 -0.22 0.78 -0.57 0.00 0.00 179.45 179.92 1tj4 h GLY 164 N 0.66 0.78 1.95 3.86 0.00 -1.90 -1.09 103.07 107.33 1tj4 h GLY 164 Ca 0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 1tj4 h GLY 164 CO 0.02 0.67 -0.68 3.43 0.00 0.00 0.00 176.54 179.99 1tj4 h ASN 165 N 0.48 0.06 -0.42 0.19 2.35 -1.78 -1.21 115.58 115.25 1tj4 h ASN 165 Ca 0.06 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1tj4 h ASN 165 Cb 0.77 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1tj4 h ASN 165 CO 0.06 0.72 0.06 0.00 -1.65 0.00 0.00 177.43 176.61 1tj4 h ALA 166 N 1.28 0.56 -0.07 -0.83 0.00 -1.35 -1.05 119.26 117.79 1tj4 h ALA 166 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1tj4 h ALA 166 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tj4 h ALA 166 CO 0.09 0.28 0.04 1.15 0.00 0.00 0.00 179.25 180.82 1tj4 h THR 167 N 0.55 1.05 -0.88 0.00 2.02 -1.00 -0.23 112.91 114.41 1tj4 h THR 167 Ca 0.13 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1tj4 h THR 167 Cb 0.39 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1tj4 h THR 167 CO 0.01 0.04 0.58 1.56 0.37 0.00 0.00 175.52 178.08 1tj4 h GLN 168 N 0.06 1.11 -0.38 6.66 4.20 -1.09 0.30 115.11 125.97 1tj4 h GLN 168 Ca 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1tj4 h GLN 168 Cb 0.03 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1tj4 h GLN 168 CO -0.00 0.74 0.20 -0.92 -0.67 0.00 0.00 178.83 178.18 1tj4 h TYR 169 N 1.15 0.53 -0.66 2.96 3.20 -0.80 -1.95 116.97 121.39 1tj4 h TYR 169 Ca 0.33 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1tj4 h TYR 169 Cb -0.06 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1tj4 h TYR 169 CO -0.00 0.42 0.32 1.25 -1.64 0.00 0.00 178.16 178.51 1tj4 h LEU 170 N 0.48 0.87 -1.10 2.82 5.85 0.35 0.36 115.31 124.93 1tj4 h LEU 170 Ca 0.13 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1tj4 h LEU 170 Cb 0.07 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1tj4 h LEU 170 CO -0.02 0.75 0.56 1.56 -0.34 0.00 0.00 178.44 180.96 1tj4 h GLN 171 N 0.92 1.17 -0.18 1.25 4.20 -0.17 0.35 115.11 122.65 1tj4 h GLN 171 Ca 0.23 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 1tj4 h GLN 171 Cb 0.11 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1tj4 h GLN 171 CO -0.03 0.79 -0.67 1.96 -0.67 0.00 0.00 178.83 180.21 1tj4 h GLN 172 N 1.20 0.70 -0.50 1.46 4.20 -0.88 0.46 115.11 121.75 1tj4 h GLN 172 Ca 0.32 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1tj4 h GLN 172 Cb -0.11 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1tj4 h GLN 172 CO -0.07 1.13 0.17 1.25 -0.67 0.00 0.00 178.83 180.65 1tj4 h HIS 173 N 0.50 0.73 -0.01 2.96 -0.00 -0.20 -2.72 115.15 116.40 1tj4 h HIS 173 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1tj4 h HIS 173 Cb 1.27 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1tj4 h HIS 173 CO 0.07 0.58 -0.52 1.28 -0.00 0.00 0.00 177.93 179.34 1tj4 n LEU 174 N -4.33 1.67 -3.59 0.26 4.77 0.05 -4.97 117.00 110.86 1tj4 n LEU 174 Ca 0.04 -0.62 -0.23 0.00 -0.03 0.00 0.00 56.01 55.17 1tj4 n LEU 174 Cb 0.17 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1tj4 n LEU 174 CO 0.38 0.32 0.22 0.00 -1.33 0.00 0.00 177.39 176.99 1tj4 n ALA 175 N -0.39 -1.40 -2.80 -1.18 0.00 0.13 -4.23 120.51 110.63 1tj4 n ALA 175 Ca 0.09 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.51 1tj4 n ALA 175 Cb 0.43 -5.09 -0.08 0.00 0.00 0.00 0.00 19.45 14.71 1tj4 n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1tj4 s MET 176 N -6.21 3.57 0.50 0.00 1.00 0.66 -4.73 119.30 114.10 1tj4 s MET 176 Ca 0.51 -0.26 -0.09 0.00 0.00 0.00 0.00 55.69 55.86 1tj4 s MET 176 Cb -0.23 -3.13 -0.05 0.00 0.00 0.00 0.00 34.83 31.42 1tj4 s MET 176 CO 0.73 0.57 0.86 -1.83 0.00 0.00 0.00 175.02 175.36 1tj4 s GLU 177 N -0.46 3.64 0.47 2.03 1.03 -1.26 -4.57 118.70 119.57 1tj4 s GLU 177 Ca 0.11 0.46 0.12 0.00 0.03 0.00 0.00 54.97 55.68 1tj4 s GLU 177 Cb -0.12 -2.28 1.07 0.00 -0.80 0.00 0.00 34.13 32.00 1tj4 s GLU 177 CO 0.02 -0.27 2.10 -1.35 -1.33 0.00 0.00 175.26 174.42 1tj4 h PRO 178 N 0.34 0.23 0.00 -4.83 0.11 -1.94 -0.51 132.00 125.41 1tj4 h PRO 178 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1tj4 h PRO 178 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1tj4 h PRO 178 CO 0.62 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1tj4 n SER 179 N -4.49 0.72 -0.67 -2.05 3.41 -1.26 -2.11 113.62 107.16 1tj4 n SER 179 Ca -0.00 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1tj4 n SER 179 Cb 0.09 -0.80 0.07 0.00 -0.26 0.00 0.00 64.21 63.31 1tj4 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tj4 n GLN 180 N -2.24 1.65 -4.08 4.33 6.02 -0.23 -4.87 117.38 117.96 1tj4 n GLN 180 Ca 0.03 -1.35 -0.35 0.00 -0.01 0.00 0.00 57.00 55.33 1tj4 n GLN 180 Cb 0.31 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.02 1tj4 n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1tj4 s THR 181 N -2.28 4.94 -0.11 5.09 2.01 -0.90 -1.12 115.64 123.29 1tj4 s THR 181 Ca 0.23 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 1tj4 s THR 181 Cb 0.19 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1tj4 s THR 181 CO 0.46 0.50 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.60 1tj4 s LEU 182 N -1.31 1.10 -0.11 4.42 2.96 0.05 -1.23 118.68 124.56 1tj4 s LEU 182 Ca 0.18 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1tj4 s LEU 182 Cb -0.12 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1tj4 s LEU 182 CO 0.08 -0.13 -0.07 0.68 -1.32 0.00 0.00 176.35 175.59 1tj4 s VAL 183 N 1.73 3.60 -0.15 1.68 -7.23 -0.00 -0.20 120.40 119.83 1tj4 s VAL 183 Ca 0.05 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 1tj4 s VAL 183 Cb -0.13 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1tj4 s VAL 183 CO -0.08 0.54 -0.21 0.00 -0.31 0.00 0.00 175.10 175.05 1tj4 s GLY 185 N 0.95 2.01 0.00 0.00 0.00 -0.98 -1.80 107.32 107.50 1tj4 s GLY 185 Ca -0.04 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1tj4 s GLY 185 CO -0.05 -1.59 0.00 2.09 0.00 0.00 0.00 173.10 173.56 1tj4 n ASP 186 N -0.86 0.00 -1.36 1.64 5.75 -1.26 -2.63 116.55 117.83 1tj4 n ASP 186 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.78 1tj4 n ASP 186 Cb 0.65 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1tj4 n ASP 186 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tj4 n SER 187 N 0.00 0.45 0.30 -1.12 3.41 -1.26 0.17 113.62 115.56 1tj4 n SER 187 Ca 0.00 -1.12 0.18 0.00 -0.26 0.00 0.00 58.87 57.67 1tj4 n SER 187 Cb 0.00 0.07 0.89 0.00 -0.26 0.00 0.00 64.21 64.92 1tj4 n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1tj4 h GLY 188 N 0.10 0.00 -1.12 5.00 0.00 -1.91 -2.05 103.07 103.10 1tj4 h GLY 188 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1tj4 h GLY 188 CO 0.02 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.72 1tj4 n ASN 189 N -3.25 1.59 -0.00 0.19 6.94 -1.26 -2.98 115.26 116.49 1tj4 n ASN 189 Ca -0.01 -2.09 0.01 0.00 -0.02 0.00 0.00 54.58 52.47 1tj4 n ASN 189 Cb 0.20 -0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1tj4 n ASN 189 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1tj4 n ASP 190 N 0.18 0.45 -0.29 0.53 8.00 -0.77 -4.62 116.55 120.03 1tj4 n ASP 190 Ca 0.08 -0.53 0.12 0.00 0.71 0.00 0.00 54.79 55.17 1tj4 n ASP 190 Cb 0.30 1.01 0.36 0.00 -0.02 0.00 0.00 41.12 42.77 1tj4 n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tj4 h ILE 191 N 0.00 0.81 -0.72 0.53 2.04 -1.59 0.10 117.51 118.68 1tj4 h ILE 191 Ca 0.00 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1tj4 h ILE 191 Cb 0.07 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 1tj4 h ILE 191 CO 0.00 0.13 0.48 1.23 0.00 0.00 0.00 178.15 179.99 1tj4 h GLY 192 N 0.72 0.90 0.96 5.37 0.00 -1.83 -1.14 103.07 108.05 1tj4 h GLY 192 Ca 0.47 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1tj4 h GLY 192 CO -0.23 0.17 0.12 1.41 0.00 0.00 0.00 176.54 178.01 1tj4 h LEU 193 N 0.66 0.68 -0.10 3.11 3.38 -1.07 -2.82 115.31 119.15 1tj4 h LEU 193 Ca 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1tj4 h LEU 193 Cb 0.41 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1tj4 h LEU 193 CO -0.11 0.73 0.00 0.49 0.09 0.00 0.00 178.44 179.63 1tj4 n PHE 194 N -4.52 0.34 1.00 1.13 3.01 -0.59 -1.91 117.46 115.92 1tj4 n PHE 194 Ca 0.01 0.11 0.14 0.00 1.01 0.00 0.00 57.45 58.71 1tj4 n PHE 194 Cb 0.21 -0.68 0.57 0.00 -0.01 0.00 0.00 39.48 39.56 1tj4 n PHE 194 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1tj4 n GLU 195 N -1.79 0.00 -2.32 -1.08 1.02 -0.53 -4.80 120.64 111.13 1tj4 n GLU 195 Ca 0.05 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 1tj4 n GLU 195 Cb 0.30 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1tj4 n GLU 195 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1tj4 s THR 196 N -3.00 4.63 -0.40 2.62 2.01 -0.80 -4.96 115.64 115.75 1tj4 s THR 196 Ca 0.14 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1tj4 s THR 196 Cb 0.19 -3.77 0.24 0.00 0.01 0.00 0.00 72.50 69.17 1tj4 s THR 196 CO 0.55 -0.81 1.14 -1.54 -0.69 0.00 0.00 174.62 173.28 1tj4 n SER 197 N -1.91 2.97 -4.90 3.53 3.41 -1.26 -4.86 113.62 110.61 1tj4 n SER 197 Ca 0.06 -2.44 -0.30 0.00 -0.26 0.00 0.00 58.87 55.92 1tj4 n SER 197 Cb 0.54 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1tj4 n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tj4 s ALA 198 N -1.30 3.65 0.33 7.33 0.00 -1.26 -4.49 121.76 126.02 1tj4 s ALA 198 Ca 0.19 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1tj4 s ALA 198 Cb 0.15 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 1tj4 s ALA 198 CO 0.04 0.41 1.44 1.03 0.00 0.00 0.00 175.76 178.69 1tj4 s ARG 199 N -3.15 4.21 0.08 0.00 1.81 -0.36 -4.81 118.95 116.73 1tj4 s ARG 199 Ca 0.44 2.42 0.02 0.00 -1.72 0.00 0.00 55.73 56.89 1tj4 s ARG 199 Cb -0.11 -3.03 -0.04 0.00 -0.45 0.00 0.00 34.95 31.32 1tj4 s ARG 199 CO 0.26 -0.42 -0.08 0.20 -0.68 0.00 0.00 175.30 174.58 1tj4 s GLY 200 N -0.05 0.72 -0.04 -3.53 0.00 -0.77 -0.82 107.32 102.82 1tj4 s GLY 200 Ca 0.54 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 44.11 1tj4 s GLY 200 CO 0.54 -1.25 -0.08 0.54 0.00 0.00 0.00 173.10 172.85 1tj4 s VAL 201 N -2.80 0.78 -0.32 1.40 0.11 -0.10 -0.74 120.40 118.74 1tj4 s VAL 201 Ca 0.05 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 1tj4 s VAL 201 Cb -0.00 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1tj4 s VAL 201 CO -0.02 0.27 0.17 -0.63 -3.33 0.00 0.00 175.10 171.56 1tj4 s ILE 202 N 0.60 4.73 0.77 7.04 1.01 0.45 -2.33 121.20 133.46 1tj4 s ILE 202 Ca -0.10 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 1tj4 s ILE 202 Cb -0.13 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 38.96 1tj4 s ILE 202 CO 0.01 0.04 1.14 1.33 0.00 0.00 0.00 174.94 177.46 1tj4 n VAL 203 N 5.01 2.63 -0.14 2.92 0.24 -1.08 -1.61 118.33 126.29 1tj4 n VAL 203 Ca -0.13 -0.29 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 1tj4 n VAL 203 Cb 0.49 -1.21 0.01 0.00 -1.47 0.00 0.00 33.84 31.66 1tj4 n VAL 203 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1tj4 h ARG 204 N -0.54 0.57 -0.93 7.34 9.65 -1.30 -2.35 114.38 126.82 1tj4 h ARG 204 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1tj4 h ARG 204 Cb 1.31 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1tj4 h ARG 204 CO 0.47 0.38 0.00 0.27 2.80 0.00 0.00 179.97 183.89 1tj4 n ASN 205 N -4.79 1.30 -4.67 -3.80 6.94 -1.26 -4.92 115.26 104.07 1tj4 n ASN 205 Ca 0.01 -1.52 -0.36 0.00 -0.02 0.00 0.00 54.58 52.70 1tj4 n ASN 205 Cb 0.03 -0.38 0.08 0.00 -2.36 0.00 0.00 39.78 37.15 1tj4 n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tj4 n ALA 206 N 0.30 0.40 -1.74 -2.53 0.00 -0.88 -4.99 120.51 111.06 1tj4 n ALA 206 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1tj4 n ALA 206 Cb 0.26 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 1tj4 n ALA 206 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tj4 s GLN 207 N -3.33 3.60 0.26 0.00 -1.52 0.46 -4.86 119.66 114.27 1tj4 s GLN 207 Ca 0.78 1.25 -0.01 0.00 -1.95 0.00 0.00 55.36 55.43 1tj4 s GLN 207 Cb -0.37 -2.07 0.55 0.00 -0.22 0.00 0.00 33.01 30.90 1tj4 s GLN 207 CO 0.46 -0.59 1.74 -1.35 -0.25 0.00 0.00 175.29 175.30 1tj4 h PRO 208 N 1.01 0.53 -0.50 2.91 0.11 -1.94 -1.49 132.00 132.61 1tj4 h PRO 208 Ca -0.48 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1tj4 h PRO 208 Cb 1.22 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1tj4 h PRO 208 CO 0.58 0.35 0.11 0.93 -0.21 0.00 0.00 178.00 179.77 1tj4 h GLU 209 N 0.54 0.24 -0.28 1.05 3.07 -1.93 0.37 114.58 117.64 1tj4 h GLU 209 Ca 0.47 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.25 1tj4 h GLU 209 Cb 0.72 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1tj4 h GLU 209 CO -0.40 0.16 -0.08 1.25 -1.40 0.00 0.00 179.01 178.54 1tj4 h LEU 210 N 0.25 0.56 -0.81 1.33 5.85 -1.56 0.10 115.31 121.04 1tj4 h LEU 210 Ca 0.25 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1tj4 h LEU 210 Cb 0.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1tj4 h LEU 210 CO -0.32 0.80 0.51 -0.07 -0.34 0.00 0.00 178.44 179.02 1tj4 h LEU 211 N 0.31 0.95 -0.24 2.25 3.38 -0.87 0.10 115.31 121.20 1tj4 h LEU 211 Ca 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1tj4 h LEU 211 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1tj4 h LEU 211 CO 0.03 0.71 0.09 -0.74 0.09 0.00 0.00 178.44 178.62 1tj4 h HIS 212 N 1.10 0.37 -0.44 1.13 2.76 -0.08 -2.27 115.15 117.71 1tj4 h HIS 212 Ca 0.29 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.50 1tj4 h HIS 212 Cb -0.08 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.71 1tj4 h HIS 212 CO -0.01 0.41 0.07 2.35 -1.30 0.00 0.00 177.93 179.44 1tj4 h TRP 213 N 0.22 0.10 -0.30 5.26 7.01 -0.15 -0.77 115.95 127.33 1tj4 h TRP 213 Ca 0.08 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.17 1tj4 h TRP 213 Cb 0.20 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1tj4 h TRP 213 CO -0.00 -0.02 0.21 -0.92 -2.79 0.00 0.00 178.44 174.92 1tj4 h TYR 214 N 0.19 0.11 -0.33 2.65 5.03 -0.56 0.12 116.97 124.19 1tj4 h TYR 214 Ca 0.22 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.39 1tj4 h TYR 214 Cb 0.28 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1tj4 h TYR 214 CO -0.23 0.06 -0.34 -0.44 -1.32 0.00 0.00 178.16 175.89 1tj4 h ASP 215 N 0.11 0.77 0.13 -2.11 3.32 -0.56 0.60 116.42 118.68 1tj4 h ASP 215 Ca 0.14 -0.33 -0.31 0.00 0.02 0.00 0.00 57.03 56.55 1tj4 h ASP 215 Cb 0.41 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1tj4 h ASP 215 CO -0.02 1.04 -1.59 1.56 -1.72 0.00 0.00 179.24 178.52 1tj4 h GLN 216 N 0.62 0.27 -0.00 3.56 4.20 -1.11 -3.41 115.11 119.24 1tj4 h GLN 216 Ca 0.06 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1tj4 h GLN 216 Cb 0.88 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1tj4 h GLN 216 CO 0.08 1.22 -0.50 0.91 -0.67 0.00 0.00 178.83 179.87 1tj4 n TRP 217 N -3.79 0.00 -1.56 2.96 7.02 0.33 -5.01 117.44 117.39 1tj4 n TRP 217 Ca -0.26 0.00 -0.55 0.00 -1.02 0.00 0.00 57.50 55.67 1tj4 n TRP 217 Cb 0.96 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.77 1tj4 n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1tj4 n GLY 218 N 1.23 0.65 2.27 6.99 0.00 0.20 -4.96 105.19 111.57 1tj4 n GLY 218 Ca 0.02 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 1tj4 n GLY 218 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tj4 n ASP 219 N 7.37 1.50 0.28 1.61 10.43 -1.26 -4.98 116.55 131.50 1tj4 n ASP 219 Ca 0.35 -1.97 0.17 0.00 2.57 0.00 0.00 54.79 55.91 1tj4 n ASP 219 Cb 0.16 -0.18 0.76 0.00 1.84 0.00 0.00 41.12 43.70 1tj4 n ASP 219 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1tj4 h SER 220 N 0.16 0.00 1.36 -2.24 4.64 -2.03 -1.97 113.55 113.48 1tj4 h SER 220 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1tj4 h SER 220 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1tj4 h SER 220 CO 0.26 0.02 0.00 -2.11 -0.87 0.00 0.00 176.83 174.13 1tj4 n ARG 221 N -3.15 0.21 -3.40 4.77 1.85 -1.26 -4.75 116.66 110.94 1tj4 n ARG 221 Ca -0.00 0.18 -0.37 0.00 -1.00 0.00 0.00 57.85 56.65 1tj4 n ARG 221 Cb 0.27 -1.75 -0.06 0.00 -1.05 0.00 0.00 32.46 29.87 1tj4 n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1tj4 s HIS 222 N -3.09 3.51 -0.10 2.89 3.76 -0.74 -1.84 115.29 119.69 1tj4 s HIS 222 Ca 0.11 0.80 0.03 0.00 -0.15 0.00 0.00 55.06 55.86 1tj4 s HIS 222 Cb 0.13 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1tj4 s HIS 222 CO 0.58 0.23 -0.22 -0.47 -0.85 0.00 0.00 174.74 174.01 1tj4 s TYR 223 N 0.43 2.38 -0.47 1.40 6.14 0.08 -4.78 117.35 122.53 1tj4 s TYR 223 Ca 0.23 -1.00 -0.19 0.00 0.64 0.00 0.00 57.07 56.75 1tj4 s TYR 223 Cb -0.15 -1.61 0.04 0.00 0.42 0.00 0.00 41.96 40.67 1tj4 s TYR 223 CO 0.08 -0.42 0.57 1.03 0.64 0.00 0.00 175.55 177.45 1tj4 s ARG 224 N 0.47 3.14 0.57 4.97 1.81 -1.26 -0.41 118.95 128.23 1tj4 s ARG 224 Ca -0.16 -0.79 -0.17 0.00 -1.72 0.00 0.00 55.73 52.89 1tj4 s ARG 224 Cb -0.17 -4.04 -0.04 0.00 -0.45 0.00 0.00 34.95 30.24 1tj4 s ARG 224 CO 0.07 -1.08 1.06 0.00 -0.68 0.00 0.00 175.30 174.67 1tj4 s ALA 225 N 2.49 2.74 -0.06 2.13 0.00 -0.64 -4.95 121.76 123.47 1tj4 s ALA 225 Ca 0.15 0.48 0.14 0.00 0.00 0.00 0.00 51.96 52.73 1tj4 s ALA 225 Cb -0.18 -3.25 -0.22 0.00 0.00 0.00 0.00 23.12 19.47 1tj4 s ALA 225 CO 0.13 -0.74 0.64 1.04 0.00 0.00 0.00 175.76 176.83 1tj4 n GLN 226 N -1.79 0.63 -2.50 0.00 6.02 -1.26 -3.83 117.38 114.66 1tj4 n GLN 226 Ca 0.09 0.27 -0.32 0.00 -0.01 0.00 0.00 57.00 57.03 1tj4 n GLN 226 Cb 0.53 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 1tj4 n GLN 226 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1tj4 s SER 227 N -6.00 6.62 0.33 1.08 0.01 -1.26 -4.69 113.70 109.79 1tj4 s SER 227 Ca -0.05 1.50 0.08 0.00 1.31 0.00 0.00 55.95 58.79 1tj4 s SER 227 Cb 0.08 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1tj4 s SER 227 CO 0.82 -0.54 0.24 -0.94 0.41 0.00 0.00 173.24 173.23 1tj4 s SER 228 N -3.03 5.10 0.63 2.44 1.04 -1.26 -1.31 113.70 117.31 1tj4 s SER 228 Ca 0.58 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1tj4 s SER 228 Cb -0.10 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1tj4 s SER 228 CO 0.30 -0.32 0.00 1.41 0.98 0.00 0.00 173.24 175.61 1tj4 n HIS 229 N -1.29 -0.01 0.20 5.02 8.25 -1.26 -2.37 115.22 123.75 1tj4 n HIS 229 Ca -0.02 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.61 1tj4 n HIS 229 Cb 0.60 0.06 0.76 0.00 1.12 0.00 0.00 29.99 32.54 1tj4 n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tj4 h ALA 230 N -0.63 1.79 0.00 -1.41 0.00 -0.67 -0.34 119.26 118.00 1tj4 h ALA 230 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1tj4 h ALA 230 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tj4 h ALA 230 CO 0.00 -0.53 -0.12 0.78 0.00 0.00 0.00 179.25 179.38 1tj4 h GLY 231 N 0.00 0.00 1.64 0.00 0.00 -1.74 -1.99 103.07 100.98 1tj4 h GLY 231 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1tj4 h GLY 231 CO -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.09 1tj4 h ALA 232 N 1.88 0.94 -0.48 3.60 0.00 -1.11 -1.94 119.26 122.15 1tj4 h ALA 232 Ca -0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1tj4 h ALA 232 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1tj4 h ALA 232 CO 0.02 0.64 -0.13 0.82 0.00 0.00 0.00 179.25 180.59 1tj4 h ILE 233 N 0.32 1.27 -0.37 0.00 2.04 -1.49 0.17 117.51 119.44 1tj4 h ILE 233 Ca 0.02 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 1tj4 h ILE 233 Cb 0.91 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1tj4 h ILE 233 CO 0.08 0.44 -0.11 -0.07 0.00 0.00 0.00 178.15 178.48 1tj4 h LEU 234 N 0.81 0.75 -0.54 1.44 3.38 -1.45 -0.46 115.31 119.24 1tj4 h LEU 234 Ca 0.12 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1tj4 h LEU 234 Cb 0.67 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1tj4 h LEU 234 CO 0.05 0.95 0.31 -0.08 0.09 0.00 0.00 178.44 179.76 1tj4 h GLU 235 N 0.54 0.59 -0.34 1.13 4.81 -1.06 -0.59 114.58 119.65 1tj4 h GLU 235 Ca 0.09 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1tj4 h GLU 235 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1tj4 h GLU 235 CO 0.04 0.39 -0.09 0.00 -0.73 0.00 0.00 179.01 178.62 1tj4 h ALA 236 N 1.25 0.47 -0.84 2.92 0.00 -0.52 0.12 119.26 122.66 1tj4 h ALA 236 Ca 0.22 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1tj4 h ALA 236 Cb 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1tj4 h ALA 236 CO -0.12 0.32 0.55 0.82 0.00 0.00 0.00 179.25 180.82 1tj4 h ILE 237 N 0.44 1.12 -0.10 0.00 2.04 -0.74 0.22 117.51 120.49 1tj4 h ILE 237 Ca 0.08 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 1tj4 h ILE 237 Cb 0.59 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1tj4 h ILE 237 CO 0.03 0.19 -0.52 0.00 0.00 0.00 0.00 178.15 177.85 1tj4 h ALA 238 N 1.52 0.20 0.36 1.87 0.00 -0.94 0.12 119.26 122.39 1tj4 h ALA 238 Ca 0.34 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1tj4 h ALA 238 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1tj4 h ALA 238 CO -0.11 0.39 -0.34 1.25 0.00 0.00 0.00 179.25 180.45 1tj4 h HIS 239 N 0.13 -0.91 -0.04 0.00 -0.00 0.22 -2.00 115.15 112.55 1tj4 h HIS 239 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1tj4 h HIS 239 Cb 1.17 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.93 1tj4 h HIS 239 CO 0.11 -0.48 0.00 1.19 -0.00 0.00 0.00 177.93 178.75 1tj4 n PHE 240 N -5.45 0.05 -3.78 5.26 3.01 0.67 -4.90 117.46 112.33 1tj4 n PHE 240 Ca -0.10 -0.03 -0.23 0.00 1.01 0.00 0.00 57.45 58.11 1tj4 n PHE 240 Cb 0.35 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.84 1tj4 n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1tj4 n ASP 241 N -0.47 -1.34 -4.86 4.37 2.03 -0.75 -4.97 116.55 110.56 1tj4 n ASP 241 Ca 0.07 -0.86 -0.33 0.00 0.52 0.00 0.00 54.79 54.20 1tj4 n ASP 241 Cb 0.07 -3.83 -0.06 0.00 -0.72 0.00 0.00 41.12 36.58 1tj4 n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1tj4 s PHE 242 N -3.69 3.43 -1.21 -0.67 2.99 0.40 -4.18 117.98 115.05 1tj4 s PHE 242 Ca 0.07 1.04 -0.01 0.00 0.00 0.00 0.00 56.93 58.04 1tj4 s PHE 242 Cb -0.04 -2.39 -0.01 0.00 0.00 0.00 0.00 43.02 40.59 1tj4 s PHE 242 CO 0.83 0.22 0.92 1.28 -0.00 0.00 0.00 175.22 178.47 1tj4 n LEU 243 N -0.09 -3.96 0.00 -0.37 4.77 -1.26 -4.74 117.00 111.36 1tj4 n LEU 243 Ca 0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1tj4 n LEU 243 Cb 0.53 -3.02 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 1tj4 n LEU 243 CO 0.43 0.36 0.24 -1.20 -1.33 0.00 0.00 177.39 175.90