#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja6 s VAL 2 N 0.00 5.00 0.21 3.15 1.01 -1.26 -3.53 120.40 124.98 1ja6 s VAL 2 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ja6 s VAL 2 Cb 0.00 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1ja6 s VAL 2 CO 0.00 -0.46 0.47 -0.36 0.00 0.00 0.00 175.10 174.74 1ja6 s PHE 3 N 2.37 3.47 0.78 5.22 0.40 -0.99 -5.08 117.98 124.14 1ja6 s PHE 3 Ca 0.16 0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.05 1ja6 s PHE 3 Cb -0.16 -2.06 0.14 0.00 0.51 0.00 0.00 43.02 41.45 1ja6 s PHE 3 CO 0.15 0.31 1.08 0.20 0.70 0.00 0.00 175.22 177.66 1ja6 s GLY 4 N -2.76 1.76 -0.01 4.36 0.00 -1.26 -4.89 107.32 104.51 1ja6 s GLY 4 Ca 0.43 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.41 1ja6 s GLY 4 CO 0.26 -0.92 0.95 -0.09 0.00 0.00 0.00 173.10 173.30 1ja6 h ARG 5 N -0.81 -0.61 0.00 2.90 2.43 -1.99 -2.85 114.38 113.44 1ja6 h ARG 5 Ca -0.39 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1ja6 h ARG 5 Cb 1.26 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1ja6 h ARG 5 CO 0.41 -0.33 -0.09 0.00 -1.51 0.00 0.00 179.97 178.46 1ja6 n GLU 7 N -2.35 1.12 0.15 0.00 0.00 -1.25 -4.24 120.64 114.07 1ja6 n GLU 7 Ca 0.05 -0.85 0.08 0.00 0.00 0.00 0.00 57.16 56.44 1ja6 n GLU 7 Cb 0.45 -1.46 0.06 0.00 0.00 0.00 0.00 31.44 30.49 1ja6 n GLU 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ja6 h LEU 8 N 2.06 0.00 0.00 4.31 6.46 -1.58 -3.40 115.31 123.16 1ja6 h LEU 8 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ja6 h LEU 8 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ja6 h LEU 8 CO 0.00 0.22 -0.21 0.00 -0.62 0.00 0.00 178.44 177.83 1ja6 n ALA 9 N -2.19 2.53 0.30 1.25 0.00 -1.26 -4.68 120.51 116.46 1ja6 n ALA 9 Ca 0.01 -0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.52 1ja6 n ALA 9 Cb 0.63 -0.15 0.92 0.00 0.00 0.00 0.00 19.45 20.85 1ja6 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ja6 h ALA 10 N 0.58 1.00 0.00 0.00 0.00 -1.78 -1.14 119.26 117.91 1ja6 h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ja6 h ALA 10 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ja6 h ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1ja6 h ALA 11 N 2.02 1.00 -0.55 0.00 0.00 -1.87 -3.26 119.26 116.61 1ja6 h ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ja6 h ALA 11 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ja6 h ALA 11 CO 0.00 0.00 0.34 0.52 0.00 0.00 0.00 179.25 180.11 1ja6 h MET 12 N 0.00 0.73 0.00 0.00 2.86 -1.52 0.19 114.93 117.19 1ja6 h MET 12 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ja6 h MET 12 Cb 0.92 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1ja6 h MET 12 CO 0.00 0.51 0.00 -0.22 1.06 0.00 0.00 176.91 178.26 1ja6 h LYS 13 N 0.74 0.00 0.00 1.72 3.64 -1.71 0.20 116.57 121.15 1ja6 h LYS 13 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ja6 h LYS 13 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ja6 h LYS 13 CO -0.04 0.00 -0.08 -2.13 -2.27 0.00 0.00 179.45 174.93 1ja6 n ARG 14 N -2.45 0.01 -0.19 1.90 0.63 0.52 -3.32 116.66 113.75 1ja6 n ARG 14 Ca 0.02 0.01 0.08 0.00 -0.92 0.00 0.00 57.85 57.03 1ja6 n ARG 14 Cb 0.27 -1.51 0.11 0.00 0.45 0.00 0.00 32.46 31.78 1ja6 n ARG 14 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1ja6 n HIS 15 N -1.52 0.00 -0.97 -0.14 8.25 0.65 -5.04 115.22 116.45 1ja6 n HIS 15 Ca 0.07 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 1ja6 n HIS 15 Cb 0.34 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1ja6 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ja6 n GLY 16 N -1.11 0.41 0.04 -1.41 0.00 -0.82 -5.01 105.19 97.30 1ja6 n GLY 16 Ca 0.13 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.30 1ja6 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ja6 n LEU 17 N 0.00 0.19 -4.60 0.99 4.77 -0.92 -4.62 117.00 112.81 1ja6 n LEU 17 Ca 0.00 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1ja6 n LEU 17 Cb 0.00 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1ja6 n LEU 17 CO 0.00 0.04 1.66 -0.62 -1.33 0.00 0.00 177.39 177.14 1ja6 s ASP 18 N -2.65 5.74 -1.56 -1.43 2.15 -1.26 -2.66 116.67 115.00 1ja6 s ASP 18 Ca 0.25 1.60 -0.12 0.00 0.43 0.00 0.00 52.55 54.70 1ja6 s ASP 18 Cb 0.20 -2.52 0.09 0.00 -0.30 0.00 0.00 42.92 40.39 1ja6 s ASP 18 CO 0.50 -1.78 0.77 0.59 -0.17 0.00 0.00 175.17 175.08 1ja6 n ASN 19 N 10.73 -3.04 -4.71 -0.34 5.03 -1.16 -4.87 115.26 116.91 1ja6 n ASN 19 Ca 0.26 -0.92 -0.42 0.00 0.87 0.00 0.00 54.58 54.37 1ja6 n ASN 19 Cb 0.46 -3.27 -0.03 0.00 -1.02 0.00 0.00 39.78 35.92 1ja6 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ja6 s TYR 20 N -3.46 3.63 -1.51 3.10 5.04 -1.06 -3.62 117.35 119.46 1ja6 s TYR 20 Ca 0.52 1.60 -0.11 0.00 -2.44 0.00 0.00 57.07 56.63 1ja6 s TYR 20 Cb -0.27 -3.06 0.08 0.00 0.35 0.00 0.00 41.96 39.05 1ja6 s TYR 20 CO 0.88 -0.01 0.84 0.54 -1.34 0.00 0.00 175.55 176.46 1ja6 n ARG 21 N 4.00 -4.76 -0.36 4.97 5.12 -1.26 -1.33 116.66 123.03 1ja6 n ARG 21 Ca 0.05 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1ja6 n ARG 21 Cb 0.51 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.55 1ja6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ja6 n GLY 22 N -1.65 2.12 3.77 -0.13 0.00 -1.24 -5.01 105.19 103.04 1ja6 n GLY 22 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1ja6 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ja6 s TYR 23 N -3.24 3.66 0.64 1.61 2.02 -0.44 -5.01 117.35 116.58 1ja6 s TYR 23 Ca 0.00 1.09 -0.13 0.00 -0.37 0.00 0.00 57.07 57.66 1ja6 s TYR 23 Cb 0.00 -2.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1ja6 s TYR 23 CO 0.00 0.37 1.05 0.45 -1.57 0.00 0.00 175.55 175.86 1ja6 s SER 24 N -0.20 5.63 0.00 2.29 0.15 -1.26 -2.57 113.70 117.74 1ja6 s SER 24 Ca 0.28 1.71 0.21 0.00 0.70 0.00 0.00 55.95 58.85 1ja6 s SER 24 Cb -0.17 -2.51 1.02 0.00 -1.71 0.00 0.00 66.02 62.65 1ja6 s SER 24 CO 0.15 -1.27 1.65 -0.11 1.20 0.00 0.00 173.24 174.86 1ja6 n LEU 25 N -2.53 0.00 0.21 3.45 7.94 -1.26 -1.40 117.00 123.41 1ja6 n LEU 25 Ca 0.08 0.31 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1ja6 n LEU 25 Cb 0.53 -0.31 0.19 0.00 0.53 0.00 0.00 43.42 44.36 1ja6 n LEU 25 CO 0.51 -0.10 0.77 1.23 -1.11 0.00 0.00 177.39 178.70 1ja6 h GLY 26 N 3.41 0.00 -2.10 -3.96 0.00 -1.91 -3.34 103.07 95.18 1ja6 h GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ja6 h GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1ja6 n ASN 27 N -3.12 3.24 -0.10 0.19 3.02 -0.50 -4.01 115.26 113.98 1ja6 n ASN 27 Ca 0.03 -1.97 -0.23 0.00 -0.03 0.00 0.00 54.58 52.39 1ja6 n ASN 27 Cb 0.54 -0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 1ja6 n ASN 27 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ja6 n TRP 28 N 1.38 0.43 0.51 3.10 7.02 -1.25 -4.51 117.44 124.13 1ja6 n TRP 28 Ca 0.17 0.13 0.12 0.00 -1.02 0.00 0.00 57.50 56.90 1ja6 n TRP 28 Cb 0.58 -1.05 0.46 0.00 -2.42 0.00 0.00 31.31 28.88 1ja6 n TRP 28 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1ja6 n VAL 29 N -3.83 0.72 -0.02 -0.99 0.31 -1.26 -3.40 118.33 109.85 1ja6 n VAL 29 Ca -0.44 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1ja6 n VAL 29 Cb 0.91 -0.93 -0.11 0.00 -0.91 0.00 0.00 33.84 32.81 1ja6 n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ja6 h ALA 31 N 0.38 0.89 0.00 0.00 0.00 -1.80 -2.47 119.26 116.26 1ja6 h ALA 31 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ja6 h ALA 31 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ja6 h ALA 31 CO 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 1ja6 h ALA 32 N 1.29 1.20 0.00 0.00 0.00 -1.73 0.40 119.26 120.42 1ja6 h ALA 32 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ja6 h ALA 32 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ja6 h ALA 32 CO -0.10 0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.47 1ja6 n LYS 33 N -3.52 0.14 -0.04 0.00 3.00 -0.93 -2.50 118.16 114.31 1ja6 n LYS 33 Ca -0.01 0.31 0.02 0.00 -0.00 0.00 0.00 58.31 58.62 1ja6 n LYS 33 Cb 0.27 -1.73 0.04 0.00 0.00 0.00 0.00 35.03 33.60 1ja6 n LYS 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ja6 n PHE 34 N -1.99 0.09 0.00 5.64 3.72 0.13 -4.23 117.46 120.83 1ja6 n PHE 34 Ca 0.03 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 1ja6 n PHE 34 Cb 0.26 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1ja6 n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ja6 n GLU 35 N 0.00 1.95 -0.07 -1.08 -0.58 -0.58 -4.83 120.64 115.46 1ja6 n GLU 35 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1ja6 n GLU 35 Cb 0.22 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1ja6 n GLU 35 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1ja6 n SER 36 N -1.42 0.00 -3.48 1.62 7.64 -1.04 -4.64 113.62 112.30 1ja6 n SER 36 Ca 0.00 -1.07 -0.19 0.00 1.01 0.00 0.00 58.87 58.62 1ja6 n SER 36 Cb 0.16 -0.01 0.06 0.00 -1.01 0.00 0.00 64.21 63.41 1ja6 n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ja6 n ASN 37 N 0.00 -3.39 -1.81 6.43 5.15 -1.12 -1.28 115.26 119.23 1ja6 n ASN 37 Ca 0.00 -0.74 -0.18 0.00 -0.60 0.00 0.00 54.58 53.06 1ja6 n ASN 37 Cb 0.51 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 35.01 1ja6 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ja6 n PHE 38 N -3.92 -0.47 -5.11 1.20 3.72 -1.20 -4.92 117.46 106.77 1ja6 n PHE 38 Ca -0.21 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.87 1ja6 n PHE 38 Cb 0.65 -3.28 -0.15 0.00 -0.94 0.00 0.00 39.48 35.76 1ja6 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ja6 s ASN 39 N -2.37 3.50 0.11 4.37 2.47 -0.41 -2.36 114.94 120.26 1ja6 s ASN 39 Ca 0.00 -0.35 0.22 0.00 0.42 0.00 0.00 52.86 53.15 1ja6 s ASN 39 Cb 0.00 -0.57 -0.11 0.00 -1.45 0.00 0.00 41.25 39.12 1ja6 s ASN 39 CO 0.00 0.33 0.84 0.35 -3.72 0.00 0.00 177.10 174.90 1ja6 n THR 40 N 2.36 0.53 1.05 -5.21 -2.24 -1.23 -3.37 114.28 106.17 1ja6 n THR 40 Ca -0.17 -0.56 0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1ja6 n THR 40 Cb 0.52 -0.29 0.31 0.00 -2.10 0.00 0.00 70.33 68.77 1ja6 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ja6 n GLN 41 N -2.59 1.83 -3.20 -0.78 6.02 -1.26 -4.19 117.38 113.20 1ja6 n GLN 41 Ca -0.03 -1.25 -0.43 0.00 -0.01 0.00 0.00 57.00 55.28 1ja6 n GLN 41 Cb 0.60 -1.38 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 1ja6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ja6 s ALA 42 N -1.70 3.40 -0.05 -1.58 0.00 -1.26 -4.92 121.76 115.66 1ja6 s ALA 42 Ca 0.31 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1ja6 s ALA 42 Cb 0.17 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1ja6 s ALA 42 CO 0.24 -1.58 -0.12 0.95 0.00 0.00 0.00 175.76 175.26 1ja6 s THR 43 N 2.52 1.07 -0.08 0.00 -4.23 -1.26 -2.69 115.64 110.96 1ja6 s THR 43 Ca 0.19 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1ja6 s THR 43 Cb -0.15 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.75 1ja6 s THR 43 CO 0.16 0.33 -0.07 0.20 -0.54 0.00 0.00 174.62 174.69 1ja6 s ASN 44 N 0.41 1.79 -0.39 3.99 0.01 0.12 -4.83 114.94 116.04 1ja6 s ASN 44 Ca -0.09 -0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 1ja6 s ASN 44 Cb -0.13 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.82 1ja6 s ASN 44 CO 0.02 -0.07 1.33 -0.60 -1.51 0.00 0.00 177.10 176.27 1ja6 s ARG 45 N 1.31 3.71 0.99 -0.60 3.52 -1.26 -0.26 118.95 126.36 1ja6 s ARG 45 Ca -0.03 0.97 -0.12 0.00 -0.13 0.00 0.00 55.73 56.41 1ja6 s ARG 45 Cb -0.14 -3.96 0.18 0.00 -1.56 0.00 0.00 34.95 29.48 1ja6 s ARG 45 CO -0.03 -1.39 1.10 -0.80 -0.81 0.00 0.00 175.30 173.37 1ja6 s ASN 46 N 3.29 2.70 0.51 -2.12 0.01 -1.21 -4.82 114.94 113.31 1ja6 s ASN 46 Ca 0.57 1.14 0.18 0.00 -0.71 0.00 0.00 52.86 54.04 1ja6 s ASN 46 Cb -0.13 -1.79 1.28 0.00 0.41 0.00 0.00 41.25 41.01 1ja6 s ASN 46 CO 0.29 -3.08 2.10 0.74 -1.51 0.00 0.00 177.10 175.64 1ja6 h THR 47 N -1.86 0.93 0.00 1.60 2.02 -1.94 0.46 112.91 114.12 1ja6 h THR 47 Ca -0.54 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1ja6 h THR 47 Cb 1.33 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1ja6 h THR 47 CO 0.58 0.01 0.00 -0.90 0.37 0.00 0.00 175.52 175.58 1ja6 n ASP 48 N -4.49 0.00 0.00 4.18 5.68 -1.26 -4.82 116.55 115.84 1ja6 n ASP 48 Ca 0.01 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 1ja6 n ASP 48 Cb 0.24 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1ja6 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ja6 n GLY 49 N -0.77 2.57 3.54 6.12 0.00 0.15 -4.93 105.19 111.87 1ja6 n GLY 49 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ja6 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ja6 s SER 50 N -3.76 6.41 0.22 1.61 1.04 -1.26 -4.80 113.70 113.16 1ja6 s SER 50 Ca 0.00 -0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.01 1ja6 s SER 50 Cb 0.00 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 1ja6 s SER 50 CO 0.00 -1.18 1.21 -0.89 0.98 0.00 0.00 173.24 173.37 1ja6 s THR 51 N 3.95 3.38 0.33 2.02 2.01 -1.26 -3.28 115.64 122.79 1ja6 s THR 51 Ca 0.34 1.22 -0.13 0.00 0.31 0.00 0.00 61.69 63.43 1ja6 s THR 51 Cb -0.11 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1ja6 s THR 51 CO 0.23 0.22 0.72 -1.81 -0.69 0.00 0.00 174.62 173.29 1ja6 s ASP 52 N -0.10 6.67 0.07 3.53 1.01 0.64 -0.84 116.67 127.65 1ja6 s ASP 52 Ca 0.51 1.18 0.03 0.00 0.71 0.00 0.00 52.55 54.99 1ja6 s ASP 52 Cb -0.34 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1ja6 s ASP 52 CO 0.40 -0.25 -0.10 -0.31 0.21 0.00 0.00 175.17 175.13 1ja6 s TYR 53 N -2.08 0.92 0.10 4.23 1.51 0.18 0.13 117.35 122.33 1ja6 s TYR 53 Ca 0.52 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1ja6 s TYR 53 Cb -0.10 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 1ja6 s TYR 53 CO 0.22 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1ja6 n GLY 54 N 0.98 -1.59 0.27 0.71 0.00 -1.09 0.51 105.19 104.97 1ja6 n GLY 54 Ca -0.19 -1.43 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 1ja6 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ja6 h ILE 55 N -0.35 1.22 0.00 -0.61 6.09 -1.69 -1.06 117.51 121.11 1ja6 h ILE 55 Ca 0.00 -0.91 -0.02 0.00 -1.37 0.00 0.00 64.86 62.56 1ja6 h ILE 55 Cb 0.34 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.65 1ja6 h ILE 55 CO 0.00 0.31 -0.09 -0.07 -3.07 0.00 0.00 178.15 175.23 1ja6 h LEU 56 N 0.52 0.00 -2.45 2.19 3.38 -1.87 -3.08 115.31 113.99 1ja6 h LEU 56 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1ja6 h LEU 56 Cb 0.41 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.36 1ja6 h LEU 56 CO 0.02 0.09 -0.83 0.00 0.09 0.00 0.00 178.44 177.81 1ja6 n GLN 57 N -3.29 -2.21 -3.18 1.13 1.13 0.34 -4.96 117.38 106.34 1ja6 n GLN 57 Ca -0.00 0.89 -0.40 0.00 -1.94 0.00 0.00 57.00 55.55 1ja6 n GLN 57 Cb 0.30 -5.82 -0.06 0.00 0.11 0.00 0.00 30.24 24.77 1ja6 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ja6 s ILE 58 N -3.37 5.06 0.51 5.09 1.01 0.18 -4.50 121.20 125.18 1ja6 s ILE 58 Ca 0.44 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 1ja6 s ILE 58 Cb -0.06 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1ja6 s ILE 58 CO 0.74 0.15 0.93 0.54 0.00 0.00 0.00 174.94 177.29 1ja6 s ASN 59 N 1.15 6.48 0.23 3.58 6.03 -1.26 0.48 114.94 131.64 1ja6 s ASN 59 Ca 0.27 1.38 0.25 0.00 -1.03 0.00 0.00 52.86 53.73 1ja6 s ASN 59 Cb -0.16 -2.43 0.90 0.00 -3.03 0.00 0.00 41.25 36.53 1ja6 s ASN 59 CO 0.10 -0.60 1.75 -1.54 -2.03 0.00 0.00 177.10 174.77 1ja6 n SER 60 N -1.83 0.74 -0.07 3.54 3.41 -0.02 -3.66 113.62 115.73 1ja6 n SER 60 Ca 0.05 0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 59.15 1ja6 n SER 60 Cb 0.54 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 1ja6 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ja6 h ARG 61 N 0.00 0.47 0.00 4.33 2.43 -1.86 -3.40 114.38 116.35 1ja6 h ARG 61 Ca 0.00 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 1ja6 h ARG 61 Cb 0.55 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ja6 h ARG 61 CO 0.00 0.78 -1.39 0.91 -1.51 0.00 0.00 179.97 178.77 1ja6 n TRP 62 N -4.49 0.00 -0.05 2.20 7.02 -1.26 -3.79 117.44 117.07 1ja6 n TRP 62 Ca -0.05 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.32 1ja6 n TRP 62 Cb 0.37 -0.23 -0.04 0.00 -2.42 0.00 0.00 31.31 28.99 1ja6 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ja6 n TRP 63 N -1.94 0.00 -4.26 -5.99 7.02 -1.24 -3.44 117.44 107.59 1ja6 n TRP 63 Ca -0.05 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.15 1ja6 n TRP 63 Cb 0.39 -0.40 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 1ja6 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ja6 s ASN 65 N -3.99 6.39 0.00 0.00 3.04 -1.23 -4.66 114.94 114.49 1ja6 s ASN 65 Ca 0.29 -0.08 0.00 0.00 0.04 0.00 0.00 52.86 53.12 1ja6 s ASN 65 Cb 0.02 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 1ja6 s ASN 65 CO 0.17 -0.73 0.00 -0.90 -3.04 0.00 0.00 177.10 172.59 1ja6 n ASP 66 N 6.28 2.53 0.00 -4.21 5.75 -1.26 -3.10 116.55 122.53 1ja6 n ASP 66 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ja6 n ASP 66 Cb 0.48 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1ja6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ja6 n GLY 67 N 1.65 2.58 0.85 6.12 0.00 -1.26 -4.79 105.19 110.33 1ja6 n GLY 67 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ja6 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ja6 n ARG 68 N -2.00 2.06 -3.78 1.61 1.85 -1.26 -4.64 116.66 110.50 1ja6 n ARG 68 Ca 0.00 -1.65 -0.37 0.00 -1.00 0.00 0.00 57.85 54.83 1ja6 n ARG 68 Cb 0.00 -1.36 -0.12 0.00 -1.05 0.00 0.00 32.46 29.92 1ja6 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ja6 s THR 69 N -1.40 3.55 0.35 8.89 2.01 -1.26 -4.98 115.64 122.80 1ja6 s THR 69 Ca 0.31 -1.36 -0.26 0.00 0.31 0.00 0.00 61.69 60.69 1ja6 s THR 69 Cb 0.16 -3.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 1ja6 s THR 69 CO 0.21 -0.27 1.05 -2.84 -0.69 0.00 0.00 174.62 172.09 1ja6 s PRO 70 N 1.33 4.36 -0.61 4.92 0.02 -1.26 -3.48 135.00 140.27 1ja6 s PRO 70 Ca -0.01 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1ja6 s PRO 70 Cb -0.20 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1ja6 s PRO 70 CO 0.01 0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1ja6 n GLY 71 N 0.65 0.71 3.73 0.52 0.00 -1.26 -4.93 105.19 104.61 1ja6 n GLY 71 Ca 0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1ja6 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ja6 s SER 72 N -2.37 6.99 0.04 1.61 0.15 -1.23 -4.93 113.70 113.95 1ja6 s SER 72 Ca 0.00 2.27 -0.18 0.00 0.70 0.00 0.00 55.95 58.74 1ja6 s SER 72 Cb 0.00 -2.60 -0.18 0.00 -1.71 0.00 0.00 66.02 61.53 1ja6 s SER 72 CO 0.00 -0.48 1.22 0.03 1.20 0.00 0.00 173.24 175.22 1ja6 h ARG 73 N 5.74 0.49 -5.66 5.44 3.08 -1.75 -3.48 114.38 118.24 1ja6 h ARG 73 Ca -0.44 -0.40 -0.32 0.00 0.07 0.00 0.00 59.98 58.90 1ja6 h ARG 73 Cb 1.21 0.08 0.16 0.00 0.08 0.00 0.00 29.97 31.51 1ja6 h ARG 73 CO 0.78 1.03 -0.82 -1.71 -1.07 0.00 0.00 179.97 178.18 1ja6 n ASN 74 N -4.27 -3.88 0.17 7.04 5.15 -1.22 -4.91 115.26 113.35 1ja6 n ASN 74 Ca -0.08 -0.70 0.04 0.00 -0.60 0.00 0.00 54.58 53.24 1ja6 n ASN 74 Cb 0.58 -4.94 0.27 0.00 -0.53 0.00 0.00 39.78 35.16 1ja6 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ja6 h LEU 75 N -1.58 0.00 -1.03 1.20 3.38 -1.56 -3.27 115.31 112.45 1ja6 h LEU 75 Ca -0.60 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.26 1ja6 h LEU 75 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1ja6 h LEU 75 CO 0.48 0.45 -0.45 0.00 0.09 0.00 0.00 178.44 179.01 1ja6 n ASN 77 N -4.00 -3.63 -3.78 0.00 3.02 -1.23 -5.01 115.26 100.63 1ja6 n ASN 77 Ca -0.02 -0.53 -0.13 0.00 -0.03 0.00 0.00 54.58 53.88 1ja6 n ASN 77 Cb 0.49 -4.63 -0.11 0.00 -0.61 0.00 0.00 39.78 34.91 1ja6 n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ja6 s ILE 78 N -3.31 0.00 0.23 2.41 1.01 -1.26 -5.09 121.20 115.19 1ja6 s ILE 78 Ca 0.22 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1ja6 s ILE 78 Cb -0.09 -0.40 -0.10 0.00 0.01 0.00 0.00 42.46 41.87 1ja6 s ILE 78 CO 0.66 -0.02 1.49 -2.16 0.00 0.00 0.00 174.94 174.91 1ja6 s PRO 79 N 0.06 4.23 0.40 2.79 0.04 -1.26 -3.47 135.00 137.79 1ja6 s PRO 79 Ca -0.01 2.35 0.12 0.00 0.04 0.00 0.00 61.00 63.51 1ja6 s PRO 79 Cb -0.02 -3.11 0.94 0.00 0.04 0.00 0.00 34.50 32.35 1ja6 s PRO 79 CO 0.01 -0.50 1.93 0.00 0.04 0.00 0.00 177.00 178.48 1ja6 n SER 81 N -4.49 0.00 0.06 0.00 3.41 -1.26 -1.98 113.62 109.36 1ja6 n SER 81 Ca 0.13 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1ja6 n SER 81 Cb 0.42 -0.37 0.46 0.00 -0.26 0.00 0.00 64.21 64.47 1ja6 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ja6 n ALA 82 N -1.37 2.03 -0.02 7.33 0.00 0.12 -3.39 120.51 125.22 1ja6 n ALA 82 Ca 0.10 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1ja6 n ALA 82 Cb 0.23 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 1ja6 n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ja6 h LEU 83 N 0.00 0.23 -1.59 0.00 3.38 -1.49 -3.37 115.31 112.46 1ja6 h LEU 83 Ca 0.00 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 1ja6 h LEU 83 Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ja6 h LEU 83 CO 0.00 1.34 -0.20 -0.07 0.09 0.00 0.00 178.44 179.60 1ja6 h LEU 84 N -0.65 0.00 -9.57 1.67 3.38 -1.69 -3.45 115.31 105.00 1ja6 h LEU 84 Ca -0.17 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.24 1ja6 h LEU 84 Cb 1.42 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.36 1ja6 h LEU 84 CO 0.02 0.20 -0.58 -0.24 0.09 0.00 0.00 178.44 177.93 1ja6 n SER 85 N -3.68 -1.84 -0.23 -0.43 2.88 -1.23 -4.58 113.62 104.52 1ja6 n SER 85 Ca -0.01 0.54 0.24 0.00 -1.33 0.00 0.00 58.87 58.30 1ja6 n SER 85 Cb 0.32 -1.15 0.60 0.00 -0.75 0.00 0.00 64.21 63.22 1ja6 n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ja6 h SER 86 N -0.53 0.25 -3.54 -3.46 4.64 -1.95 -3.33 113.55 105.64 1ja6 h SER 86 Ca -0.45 0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 60.29 1ja6 h SER 86 Cb 1.35 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 63.29 1ja6 h SER 86 CO 0.40 0.09 -0.31 -0.62 -0.87 0.00 0.00 176.83 175.52 1ja6 s ASP 87 N -5.58 6.31 -0.02 4.97 2.15 -1.26 -4.92 116.67 118.31 1ja6 s ASP 87 Ca -0.07 0.35 0.14 0.00 0.43 0.00 0.00 52.55 53.41 1ja6 s ASP 87 Cb 0.23 -2.19 0.43 0.00 -0.30 0.00 0.00 42.92 41.08 1ja6 s ASP 87 CO 0.78 -0.04 1.35 2.30 -0.17 0.00 0.00 175.17 179.40 1ja6 n ILE 88 N 4.39 1.15 0.29 4.11 -6.64 -1.25 -4.70 119.36 116.72 1ja6 n ILE 88 Ca -0.11 -1.08 0.16 0.00 -1.77 0.00 0.00 62.75 59.95 1ja6 n ILE 88 Cb 0.51 0.42 0.83 0.00 -1.44 0.00 0.00 39.64 39.96 1ja6 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 1ja6 h THR 89 N 2.64 0.00 0.00 7.28 2.02 -1.93 -3.10 112.91 119.83 1ja6 h THR 89 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1ja6 h THR 89 Cb 0.89 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1ja6 h THR 89 CO 0.03 0.00 -1.54 0.00 0.37 0.00 0.00 175.52 174.39 1ja6 n ALA 90 N -1.88 1.96 0.04 6.16 0.00 -1.26 -4.70 120.51 120.83 1ja6 n ALA 90 Ca -0.02 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.05 1ja6 n ALA 90 Cb 0.25 -0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.17 1ja6 n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ja6 h SER 91 N 0.00 0.29 0.56 0.00 0.02 -1.83 -1.69 113.55 110.91 1ja6 h SER 91 Ca -0.16 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ja6 h SER 91 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1ja6 h SER 91 CO 0.01 0.20 0.00 0.58 -1.14 0.00 0.00 176.83 176.48 1ja6 h VAL 92 N 0.34 0.00 -0.57 2.27 2.07 -1.84 -2.85 116.25 115.67 1ja6 h VAL 92 Ca 0.16 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1ja6 h VAL 92 Cb 0.21 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ja6 h VAL 92 CO -0.04 0.00 0.17 0.78 0.02 0.00 0.00 177.57 178.51 1ja6 h ASN 93 N 0.00 0.83 0.37 0.57 -0.26 -1.62 0.65 115.58 116.12 1ja6 h ASN 93 Ca 0.00 -0.21 -0.12 0.00 -0.56 0.00 0.00 56.30 55.41 1ja6 h ASN 93 Cb 0.28 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1ja6 h ASN 93 CO 0.00 0.82 -0.52 0.00 -1.06 0.00 0.00 177.43 176.67 1ja6 h ALA 95 N 1.33 0.54 0.00 0.00 0.00 -1.21 -0.48 119.26 119.45 1ja6 h ALA 95 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ja6 h ALA 95 Cb 0.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ja6 h ALA 95 CO 0.08 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.47 1ja6 n LYS 96 N -4.23 0.34 -0.02 0.00 5.02 0.22 -2.08 118.16 117.41 1ja6 n LYS 96 Ca -0.02 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1ja6 n LYS 96 Cb 0.45 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1ja6 n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ja6 n LYS 97 N -1.15 2.27 0.02 1.97 5.02 -1.00 -4.61 118.16 120.68 1ja6 n LYS 97 Ca 0.09 -0.02 0.16 0.00 -2.02 0.00 0.00 58.31 56.53 1ja6 n LYS 97 Cb 0.09 -1.13 0.63 0.00 -0.02 0.00 0.00 35.03 34.60 1ja6 n LYS 97 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ja6 h ILE 98 N 0.00 0.82 0.07 -0.18 2.04 -0.52 -1.11 117.51 118.62 1ja6 h ILE 98 Ca -0.10 -0.04 -0.26 0.00 1.00 0.00 0.00 64.86 65.47 1ja6 h ILE 98 Cb 0.99 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1ja6 h ILE 98 CO 0.01 0.02 -1.26 0.58 0.00 0.00 0.00 178.15 177.49 1ja6 h VAL 99 N 0.11 1.44 0.00 1.67 2.07 -1.72 -3.28 116.25 116.54 1ja6 h VAL 99 Ca 0.22 -3.10 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1ja6 h VAL 99 Cb 0.74 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1ja6 h VAL 99 CO -0.02 0.87 0.13 -1.28 0.02 0.00 0.00 177.57 177.29 1ja6 h SER 100 N 0.04 0.00 -0.10 0.57 0.87 -1.45 0.17 113.55 113.65 1ja6 h SER 100 Ca -0.13 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1ja6 h SER 100 Cb 1.92 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1ja6 h SER 100 CO 0.16 0.00 0.35 -0.78 -0.53 0.00 0.00 176.83 176.02 1ja6 h ASP 101 N 0.00 0.00 0.00 6.23 3.58 -1.61 -3.45 116.42 121.17 1ja6 h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ja6 h ASP 101 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ja6 h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ja6 n GLY 102 N -1.28 0.68 0.04 -0.78 0.00 -0.09 -4.85 105.19 98.91 1ja6 n GLY 102 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1ja6 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ja6 n ASN 103 N 0.00 0.30 0.00 1.61 3.02 -1.23 -5.02 115.26 113.93 1ja6 n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ja6 n ASN 103 Cb 0.00 1.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1ja6 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ja6 n GLY 104 N 1.52 3.04 0.06 7.41 0.00 -0.40 -0.11 105.19 116.72 1ja6 n GLY 104 Ca -0.14 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1ja6 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ja6 n MET 105 N 10.35 0.10 -0.24 1.61 2.81 -1.26 -3.77 117.12 126.72 1ja6 n MET 105 Ca 0.00 0.33 0.22 0.00 -1.81 0.00 0.00 57.70 56.43 1ja6 n MET 105 Cb 0.00 -1.68 0.56 0.00 -0.71 0.00 0.00 33.22 31.38 1ja6 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ja6 h ASN 106 N 0.00 0.33 -0.51 7.83 2.35 -0.91 -0.93 115.58 123.73 1ja6 h ASN 106 Ca 0.00 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1ja6 h ASN 106 Cb 0.32 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1ja6 h ASN 106 CO 0.00 0.12 0.34 0.00 -1.65 0.00 0.00 177.43 176.24 1ja6 h ALA 107 N 1.60 1.72 -2.75 -0.83 0.00 -1.80 -3.40 119.26 113.80 1ja6 h ALA 107 Ca 0.48 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.79 1ja6 h ALA 107 Cb 1.33 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ja6 h ALA 107 CO -0.16 0.23 0.00 -1.58 0.00 0.00 0.00 179.25 177.75 1ja6 s TRP 108 N -5.54 3.65 0.01 0.00 0.51 -0.36 -4.98 118.94 112.24 1ja6 s TRP 108 Ca -0.09 1.19 0.11 0.00 -2.12 0.00 0.00 56.10 55.19 1ja6 s TRP 108 Cb 0.18 -2.65 -0.21 0.00 -0.81 0.00 0.00 33.47 29.97 1ja6 s TRP 108 CO 0.74 0.28 0.92 -0.24 -0.51 0.00 0.00 176.95 178.14 1ja6 h VAL 109 N 4.31 1.17 -0.11 4.03 3.04 -1.84 -3.36 116.25 123.50 1ja6 h VAL 109 Ca -0.44 -2.95 -0.07 0.00 -1.01 0.00 0.00 66.70 62.23 1ja6 h VAL 109 Cb 1.20 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 33.05 1ja6 h VAL 109 CO 0.71 0.67 -0.20 0.00 -1.01 0.00 0.00 177.57 177.74 1ja6 h ALA 110 N 1.02 0.17 -0.15 3.17 0.00 -1.93 -3.03 119.26 118.51 1ja6 h ALA 110 Ca -0.17 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ja6 h ALA 110 Cb 1.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1ja6 h ALA 110 CO 0.10 0.11 0.10 2.35 0.00 0.00 0.00 179.25 181.91 1ja6 h TRP 111 N -0.10 0.18 0.00 0.00 7.01 -1.91 0.74 115.95 121.86 1ja6 h TRP 111 Ca 0.01 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 1ja6 h TRP 111 Cb 0.78 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1ja6 h TRP 111 CO 0.10 0.11 -0.16 -0.09 -2.79 0.00 0.00 178.44 175.61 1ja6 h ARG 112 N 0.19 0.00 0.00 2.65 2.43 -1.70 0.27 114.38 118.22 1ja6 h ARG 112 Ca 0.06 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1ja6 h ARG 112 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ja6 h ARG 112 CO -0.01 0.16 -1.26 0.09 -1.51 0.00 0.00 179.97 177.44 1ja6 n ASN 113 N -3.22 1.13 0.03 -3.80 3.02 -0.32 -4.49 115.26 107.60 1ja6 n ASN 113 Ca 0.02 0.04 -0.02 0.00 -0.03 0.00 0.00 54.58 54.58 1ja6 n ASN 113 Cb 0.48 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 1ja6 n ASN 113 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ja6 h ARG 114 N -0.13 0.00 -0.00 3.52 3.08 0.22 -3.38 114.38 117.69 1ja6 h ARG 114 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ja6 h ARG 114 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1ja6 h ARG 114 CO -0.06 0.37 -0.44 0.00 -1.07 0.00 0.00 179.97 178.77 1ja6 s LYS 116 N -1.95 4.48 -0.19 0.00 2.20 0.94 -3.42 119.74 121.79 1ja6 s LYS 116 Ca 0.08 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1ja6 s LYS 116 Cb 0.10 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1ja6 s LYS 116 CO 0.44 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1ja6 n GLY 117 N 2.80 0.54 4.03 5.54 0.00 -1.26 -4.88 105.19 111.97 1ja6 n GLY 117 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1ja6 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ja6 s THR 118 N -2.03 2.08 -1.21 2.61 -4.23 -1.22 -5.01 115.64 106.63 1ja6 s THR 118 Ca 0.00 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1ja6 s THR 118 Cb 0.00 -2.10 0.21 0.00 1.34 0.00 0.00 72.50 71.94 1ja6 s THR 118 CO 0.00 0.00 2.01 -0.67 -0.54 0.00 0.00 174.62 175.42 1ja6 n ASP 119 N -2.31 7.06 -0.30 3.99 -0.08 -1.26 -4.85 116.55 118.79 1ja6 n ASP 119 Ca 0.16 -3.31 0.08 0.00 -1.51 0.00 0.00 54.79 50.21 1ja6 n ASP 119 Cb 0.62 -1.32 0.24 0.00 2.34 0.00 0.00 41.12 43.00 1ja6 n ASP 119 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ja6 h VAL 120 N 2.85 0.69 0.00 5.18 -1.51 -1.89 0.25 116.25 121.82 1ja6 h VAL 120 Ca 0.53 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1ja6 h VAL 120 Cb 0.42 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1ja6 h VAL 120 CO 1.41 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 177.86 1ja6 n GLN 121 N -4.89 0.80 -0.29 5.19 0.00 -1.26 -1.90 117.38 115.04 1ja6 n GLN 121 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.23 1ja6 n GLN 121 Cb 0.48 -1.47 0.18 0.00 0.00 0.00 0.00 30.24 29.42 1ja6 n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ja6 n ALA 122 N -0.97 2.72 0.17 2.61 0.00 0.90 -2.32 120.51 123.62 1ja6 n ALA 122 Ca 0.18 -0.77 0.02 0.00 0.00 0.00 0.00 53.44 52.87 1ja6 n ALA 122 Cb 0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ja6 n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1ja6 n TRP 123 N 0.50 0.00 0.05 0.00 7.02 -0.80 -4.49 117.44 119.71 1ja6 n TRP 123 Ca 0.13 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.62 1ja6 n TRP 123 Cb 0.47 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.36 1ja6 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ja6 n ILE 124 N -0.50 0.00 -2.32 -0.99 -5.35 -1.16 -4.91 119.36 104.13 1ja6 n ILE 124 Ca 0.01 -0.48 -0.35 0.00 -0.27 0.00 0.00 62.75 61.66 1ja6 n ILE 124 Cb 0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 39.64 38.98 1ja6 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ja6 s ARG 125 N -0.80 3.52 -0.76 6.28 3.52 -0.98 -3.59 118.95 126.13 1ja6 s ARG 125 Ca 0.01 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1ja6 s ARG 125 Cb 0.01 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 1ja6 s ARG 125 CO 0.03 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 1ja6 n GLY 126 N 0.15 0.92 3.31 8.12 0.00 -1.26 -5.02 105.19 111.40 1ja6 n GLY 126 Ca 0.10 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1ja6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja6 s ARG 128 N -3.49 3.41 0.00 0.00 3.52 -1.26 -5.14 118.95 115.99 1ja6 s ARG 128 Ca 0.19 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1ja6 s ARG 128 Cb -0.01 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1ja6 s ARG 128 CO 0.05 -0.35 0.11 1.28 -0.81 0.00 0.00 175.30 175.58