#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6x n ASN 4 N 0.00 1.43 -4.55 3.14 2.85 -1.26 -5.14 115.26 111.73 1j6x n ASN 4 Ca 0.00 -0.01 -0.34 0.00 -0.11 0.00 0.00 54.58 54.12 1j6x n ASN 4 Cb 0.00 0.76 -0.11 0.00 1.24 0.00 0.00 39.78 41.66 1j6x n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1j6x s VAL 5 N -2.36 4.10 0.13 3.44 1.01 -1.26 -5.04 120.40 120.42 1j6x s VAL 5 Ca -0.09 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1j6x s VAL 5 Cb 0.05 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1j6x s VAL 5 CO 0.60 0.51 1.65 -0.08 0.00 0.00 0.00 175.10 177.78 1j6x h GLU 6 N 6.41 -0.24 0.00 2.72 4.22 -2.01 -2.46 114.58 123.21 1j6x h GLU 6 Ca -0.36 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1j6x h GLU 6 Cb 1.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1j6x h GLU 6 CO 0.63 -0.16 0.00 0.66 -2.18 0.00 0.00 179.01 177.96 1j6x h SER 7 N -0.25 0.00 0.46 1.04 4.64 -1.96 -0.21 113.55 117.28 1j6x h SER 7 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1j6x h SER 7 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1j6x h SER 7 CO -0.27 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.18 1j6x n PHE 8 N -3.01 0.00 1.00 4.77 3.72 -0.93 -2.10 117.46 120.92 1j6x n PHE 8 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1j6x n PHE 8 Cb 0.12 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.32 1j6x n PHE 8 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1j6x n ASN 9 N -1.32 1.92 -4.73 4.37 5.03 -0.09 -4.91 115.26 115.53 1j6x n ASN 9 Ca 0.09 -1.46 -0.39 0.00 0.87 0.00 0.00 54.58 53.70 1j6x n ASN 9 Cb 0.19 0.54 -0.05 0.00 -1.02 0.00 0.00 39.78 39.43 1j6x n ASN 9 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1j6x s LEU 10 N -2.54 4.33 -0.81 3.41 2.96 -0.89 -5.01 118.68 120.13 1j6x s LEU 10 Ca 0.17 1.08 -0.24 0.00 -0.22 0.00 0.00 54.13 54.92 1j6x s LEU 10 Cb 0.18 -2.94 0.05 0.00 0.50 0.00 0.00 46.19 43.98 1j6x s LEU 10 CO 0.61 -0.03 1.23 -0.62 -1.32 0.00 0.00 176.35 176.22 1j6x s ASP 11 N 0.53 6.29 0.63 3.68 -1.08 -1.26 -4.87 116.67 120.59 1j6x s ASP 11 Ca 0.33 -0.98 0.35 0.00 -0.52 0.00 0.00 52.55 51.73 1j6x s ASP 11 Cb -0.17 -2.51 1.99 0.00 -1.46 0.00 0.00 42.92 40.77 1j6x s ASP 11 CO 0.16 -1.59 2.22 0.45 0.52 0.00 0.00 175.17 176.93 1j6x h HIS 12 N 9.75 0.00 0.00 -5.34 3.86 -1.95 -2.11 115.15 119.36 1j6x h HIS 12 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1j6x h HIS 12 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1j6x h HIS 12 CO 1.13 0.00 0.00 0.25 0.86 0.00 0.00 177.93 180.17 1j6x n THR 13 N -3.42 0.36 0.57 2.45 -2.24 -1.26 -3.82 114.28 106.91 1j6x n THR 13 Ca -0.02 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1j6x n THR 13 Cb 0.18 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 1j6x n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j6x n LYS 14 N -1.63 2.65 -2.30 -0.78 5.02 -0.79 -5.00 118.16 115.33 1j6x n LYS 14 Ca 0.06 -0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 55.82 1j6x n LYS 14 Cb 0.30 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 1j6x n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j6x s VAL 15 N -1.97 4.69 -0.33 -0.18 -7.23 -1.25 -4.11 120.40 110.03 1j6x s VAL 15 Ca 0.06 0.85 0.04 0.00 -1.81 0.00 0.00 61.98 61.12 1j6x s VAL 15 Cb 0.09 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 33.33 1j6x s VAL 15 CO 0.44 -0.86 0.03 -0.75 -0.31 0.00 0.00 175.10 173.65 1j6x s LYS 16 N -4.55 1.55 0.57 4.82 2.20 0.57 -4.95 119.74 119.95 1j6x s LYS 16 Ca 0.55 -1.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.21 1j6x s LYS 16 Cb -0.10 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1j6x s LYS 16 CO 0.42 -0.89 1.14 0.00 -0.36 0.00 0.00 175.35 175.67 1j6x s ALA 17 N 0.97 2.64 0.34 3.13 0.00 -1.26 -4.36 121.76 123.22 1j6x s ALA 17 Ca 0.08 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 1j6x s ALA 17 Cb -0.19 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1j6x s ALA 17 CO -0.08 -0.90 0.67 -1.25 0.00 0.00 0.00 175.76 174.19 1j6x s PRO 18 N -3.37 3.77 0.27 0.00 0.04 -1.26 -4.86 135.00 129.59 1j6x s PRO 18 Ca 0.73 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 1j6x s PRO 18 Cb -0.25 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.81 1j6x s PRO 18 CO 0.30 0.11 0.71 1.52 0.04 0.00 0.00 177.00 179.67 1j6x s TYR 19 N -2.16 -0.23 -0.22 0.56 -0.85 -0.84 -4.42 117.35 109.20 1j6x s TYR 19 Ca 0.49 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.84 1j6x s TYR 19 Cb -0.11 0.69 0.06 0.00 0.38 0.00 0.00 41.96 42.99 1j6x s TYR 19 CO 0.28 -1.20 -0.05 0.08 -1.52 0.00 0.00 175.55 173.14 1j6x s VAL 20 N -3.90 1.41 -0.07 -3.49 1.01 0.00 -1.25 120.40 114.10 1j6x s VAL 20 Ca 0.10 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1j6x s VAL 20 Cb -0.05 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1j6x s VAL 20 CO 0.05 -0.08 -0.12 -0.60 0.00 0.00 0.00 175.10 174.34 1j6x s ARG 21 N 1.46 2.77 -0.66 2.72 3.52 -0.24 -4.71 118.95 123.80 1j6x s ARG 21 Ca -0.05 -0.66 -0.26 0.00 -0.13 0.00 0.00 55.73 54.63 1j6x s ARG 21 Cb -0.18 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1j6x s ARG 21 CO -0.07 0.53 1.78 0.42 -0.81 0.00 0.00 175.30 177.16 1j6x s ILE 22 N -0.48 3.42 -0.15 4.11 1.01 -1.26 -0.59 121.20 127.27 1j6x s ILE 22 Ca 0.06 0.16 0.16 0.00 0.00 0.00 0.00 60.65 61.03 1j6x s ILE 22 Cb -0.12 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 1j6x s ILE 22 CO 0.02 -1.06 1.25 0.00 0.00 0.00 0.00 174.94 175.15 1j6x h ALA 23 N 13.90 0.66 -1.43 9.38 0.00 -0.61 -3.48 119.26 137.67 1j6x h ALA 23 Ca -0.22 -0.56 0.11 0.00 0.00 0.00 0.00 54.91 54.24 1j6x h ALA 23 Cb 1.13 0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.69 1j6x h ALA 23 CO 1.23 0.70 0.63 0.34 0.00 0.00 0.00 179.25 182.15 1j6x s ASP 24 N -6.24 -0.30 -0.10 0.00 2.15 -0.93 -4.90 116.67 106.36 1j6x s ASP 24 Ca 0.02 0.43 -0.00 0.00 0.43 0.00 0.00 52.55 53.43 1j6x s ASP 24 Cb 0.08 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1j6x s ASP 24 CO 0.77 -0.20 -0.07 -0.13 -0.17 0.00 0.00 175.17 175.36 1j6x s ARG 25 N -0.60 1.43 -0.05 4.34 0.52 -1.26 -0.49 118.95 122.83 1j6x s ARG 25 Ca 0.02 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.05 1j6x s ARG 25 Cb -0.02 -1.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.97 1j6x s ARG 25 CO -0.04 -0.22 -0.22 0.15 0.02 0.00 0.00 175.30 174.99 1j6x s LYS 26 N 1.56 2.24 -0.15 3.54 1.02 0.49 -4.98 119.74 123.46 1j6x s LYS 26 Ca 0.02 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.23 1j6x s LYS 26 Cb -0.13 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1j6x s LYS 26 CO -0.06 0.31 -0.13 0.21 -0.92 0.00 0.00 175.35 174.76 1j6x s LYS 27 N -0.06 3.31 1.00 1.68 2.20 -1.26 0.73 119.74 127.34 1j6x s LYS 27 Ca -0.04 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.73 1j6x s LYS 27 Cb -0.13 -2.65 0.19 0.00 -1.51 0.00 0.00 37.83 33.72 1j6x s LYS 27 CO 0.03 0.09 1.10 0.20 -0.36 0.00 0.00 175.35 176.42 1j6x s GLY 28 N 0.65 1.56 0.44 5.54 0.00 0.16 -4.86 107.32 110.82 1j6x s GLY 28 Ca -0.07 -0.45 0.13 0.00 0.00 0.00 0.00 44.72 44.32 1j6x s GLY 28 CO 0.02 0.18 2.03 -0.24 0.00 0.00 0.00 173.10 175.09 1j6x h VAL 29 N -1.88 0.97 -0.04 1.40 3.04 -2.00 -0.47 116.25 117.27 1j6x h VAL 29 Ca -0.54 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1j6x h VAL 29 Cb 1.33 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1j6x h VAL 29 CO 0.58 0.07 0.00 0.59 -1.01 0.00 0.00 177.57 177.80 1j6x n ASN 30 N -4.48 0.69 0.00 3.17 3.02 -1.26 -4.92 115.26 111.48 1j6x n ASN 30 Ca 0.06 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1j6x n ASN 30 Cb 0.24 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1j6x n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j6x n GLY 31 N 1.00 0.80 3.77 7.41 0.00 -0.19 -5.05 105.19 112.93 1j6x n GLY 31 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1j6x n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j6x s ASP 32 N -2.57 6.69 -0.16 1.61 1.01 -1.26 -4.67 116.67 117.31 1j6x s ASP 32 Ca 0.00 2.57 -0.06 0.00 0.71 0.00 0.00 52.55 55.77 1j6x s ASP 32 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1j6x s ASP 32 CO 0.00 -0.58 0.06 -0.22 0.21 0.00 0.00 175.17 174.63 1j6x s LEU 33 N -2.02 3.82 -0.14 1.23 2.96 -1.26 0.39 118.68 123.65 1j6x s LEU 33 Ca 0.52 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1j6x s LEU 33 Cb -0.37 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1j6x s LEU 33 CO 0.48 0.23 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.96 1j6x s ILE 34 N 0.02 2.71 0.02 6.68 1.01 0.22 0.50 121.20 132.37 1j6x s ILE 34 Ca 0.05 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1j6x s ILE 34 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1j6x s ILE 34 CO 0.01 0.52 -0.25 -0.69 0.00 0.00 0.00 174.94 174.53 1j6x s VAL 35 N 0.65 2.02 -0.08 2.92 1.01 -0.62 -0.37 120.40 125.93 1j6x s VAL 35 Ca -0.08 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1j6x s VAL 35 Cb -0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1j6x s VAL 35 CO 0.02 0.42 -0.22 -0.75 0.00 0.00 0.00 175.10 174.57 1j6x s LYS 36 N -0.98 2.60 -0.08 2.72 2.20 0.35 -1.15 119.74 125.40 1j6x s LYS 36 Ca 0.10 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 1j6x s LYS 36 Cb -0.10 -2.06 -0.01 0.00 -1.51 0.00 0.00 37.83 34.15 1j6x s LYS 36 CO 0.01 0.22 -0.24 0.71 -0.36 0.00 0.00 175.35 175.69 1j6x s TYR 37 N 0.21 2.53 -0.64 4.03 2.02 0.53 0.18 117.35 126.21 1j6x s TYR 37 Ca -0.13 -0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 55.52 1j6x s TYR 37 Cb -0.16 -1.67 0.12 0.00 -0.40 0.00 0.00 41.96 39.85 1j6x s TYR 37 CO 0.06 -0.31 0.74 0.34 -1.57 0.00 0.00 175.55 174.81 1j6x s ASP 38 N 0.11 6.27 -0.64 2.29 2.15 0.25 -0.84 116.67 126.26 1j6x s ASP 38 Ca -0.11 -1.60 -0.15 0.00 0.43 0.00 0.00 52.55 51.11 1j6x s ASP 38 Cb -0.16 -2.30 0.16 0.00 -0.30 0.00 0.00 42.92 40.32 1j6x s ASP 38 CO 0.06 -1.06 0.59 0.68 -0.17 0.00 0.00 175.17 175.27 1j6x s VAL 39 N 2.44 5.28 -0.30 1.11 -7.23 -0.40 -1.08 120.40 120.23 1j6x s VAL 39 Ca 0.13 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1j6x s VAL 39 Cb -0.22 -4.35 0.01 0.00 0.56 0.00 0.00 36.38 32.38 1j6x s VAL 39 CO 0.04 -0.92 0.91 -0.60 -0.31 0.00 0.00 175.10 174.21 1j6x s ARG 40 N 1.07 4.04 -0.18 4.82 6.06 -0.38 -1.55 118.95 132.82 1j6x s ARG 40 Ca 0.08 0.84 -0.17 0.00 -2.50 0.00 0.00 55.73 53.99 1j6x s ARG 40 Cb -0.23 -3.72 -0.22 0.00 0.06 0.00 0.00 34.95 30.85 1j6x s ARG 40 CO -0.01 -0.74 0.29 0.74 -2.50 0.00 0.00 175.30 173.07 1j6x h PHE 41 N 8.02 0.17 -3.39 5.12 0.05 -1.32 -2.23 116.94 123.36 1j6x h PHE 41 Ca -0.22 -0.12 -0.65 0.00 3.82 0.00 0.00 57.97 60.79 1j6x h PHE 41 Cb 1.08 -0.01 -0.13 0.00 2.00 0.00 0.00 35.95 38.90 1j6x h PHE 41 CO 0.79 1.57 -0.68 0.15 -0.18 0.00 0.00 178.31 179.97 1j6x s LYS 42 N -2.42 2.48 -0.03 1.51 -0.14 -0.68 -4.38 119.74 116.07 1j6x s LYS 42 Ca -0.26 -0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 53.18 1j6x s LYS 42 Cb 0.06 -2.50 -0.06 0.00 -1.68 0.00 0.00 37.83 33.65 1j6x s LYS 42 CO 0.65 0.54 1.55 -1.14 -0.76 0.00 0.00 175.35 176.19 1j6x s GLN 43 N -2.27 4.22 -0.20 1.68 2.00 -1.26 -4.84 119.66 118.98 1j6x s GLN 43 Ca 0.25 2.10 -0.41 0.00 -2.00 0.00 0.00 55.36 55.30 1j6x s GLN 43 Cb -0.12 -3.79 -0.18 0.00 0.80 0.00 0.00 33.01 29.73 1j6x s GLN 43 CO 0.17 -0.74 1.52 -2.30 -0.50 0.00 0.00 175.29 173.44 1j6x n PRO 44 N 6.35 0.71 -1.35 1.67 -0.02 -1.26 -1.18 135.00 139.92 1j6x n PRO 44 Ca 0.16 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1j6x n PRO 44 Cb 0.43 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1j6x n PRO 44 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j6x n ASN 45 N 3.82 -5.31 0.00 2.55 3.02 -1.26 -4.72 115.26 113.36 1j6x n ASN 45 Ca 0.25 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1j6x n ASN 45 Cb 0.09 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 1j6x n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j6x n ARG 46 N -1.52 1.54 -3.84 3.52 3.00 -0.32 -5.10 116.66 113.93 1j6x n ARG 46 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.67 1j6x n ARG 46 Cb 0.54 -0.89 0.01 0.00 0.00 0.00 0.00 32.46 32.12 1j6x n ARG 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1j6x s ASP 47 N -1.69 -0.03 0.00 0.55 -1.08 -0.89 -4.96 116.67 108.57 1j6x s ASP 47 Ca 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 1j6x s ASP 47 Cb 0.00 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1j6x s ASP 47 CO 0.00 -1.20 0.00 0.00 0.52 0.00 0.00 175.17 174.49 1j6x n HIS 48 N -0.61 0.00 0.00 -5.34 1.44 -1.26 -4.60 115.22 104.85 1j6x n HIS 48 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 1j6x n HIS 48 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 1j6x n HIS 48 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1j6x n ASP 50 N 0.00 0.00 0.00 4.39 5.75 -1.26 -5.02 116.55 120.41 1j6x n ASP 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j6x n ASP 50 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1j6x n ASP 50 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1j6x n PRO 52 N 0.00 0.00 -0.08 0.11 -0.02 -1.26 -1.55 135.00 132.20 1j6x n PRO 52 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1j6x n PRO 52 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 1j6x n PRO 52 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1j6x h SER 53 N 0.00 0.97 -0.26 2.55 0.02 -1.89 -2.01 113.55 112.93 1j6x h SER 53 Ca 0.00 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1j6x h SER 53 Cb 0.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1j6x h SER 53 CO 0.00 1.32 0.14 0.25 -1.14 0.00 0.00 176.83 177.39 1j6x h LEU 54 N 0.67 0.33 -0.97 5.07 6.46 -1.66 -0.70 115.31 124.52 1j6x h LEU 54 Ca 0.02 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1j6x h LEU 54 Cb 1.15 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.94 1j6x h LEU 54 CO 0.12 0.33 0.64 -0.74 -0.62 0.00 0.00 178.44 178.17 1j6x h HIS 55 N 0.30 1.21 0.01 1.25 2.76 -1.80 -2.05 115.15 116.84 1j6x h HIS 55 Ca 0.09 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 58.05 1j6x h HIS 55 Cb 0.08 -0.41 0.01 0.00 1.55 0.00 0.00 27.41 28.64 1j6x h HIS 55 CO -0.03 0.76 -0.99 0.77 -1.30 0.00 0.00 177.93 177.13 1j6x h SER 56 N 1.30 0.62 0.57 3.26 0.02 -1.16 -2.94 113.55 115.22 1j6x h SER 56 Ca 0.36 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1j6x h SER 56 Cb -0.13 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 1j6x h SER 56 CO -0.08 1.31 -0.13 0.25 -1.14 0.00 0.00 176.83 177.04 1j6x h LEU 57 N 0.26 0.00 -0.14 5.07 5.85 -0.96 -1.01 115.31 124.39 1j6x h LEU 57 Ca -0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1j6x h LEU 57 Cb 1.64 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 1j6x h LEU 57 CO 0.18 0.13 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.11 1j6x h GLU 58 N 0.00 0.38 0.03 1.25 4.81 -1.25 -1.23 114.58 118.56 1j6x h GLU 58 Ca -0.00 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1j6x h GLU 58 Cb 0.45 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1j6x h GLU 58 CO 0.02 0.82 -0.01 0.45 -0.73 0.00 0.00 179.01 179.55 1j6x h HIS 59 N -0.01 -0.04 0.20 0.92 3.86 -1.27 -1.09 115.15 117.72 1j6x h HIS 59 Ca 0.01 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1j6x h HIS 59 Cb 0.78 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1j6x h HIS 59 CO 0.10 0.17 -0.16 -0.07 0.86 0.00 0.00 177.93 178.83 1j6x h LEU 60 N -0.24 -0.42 -0.48 2.43 3.38 -1.24 -1.39 115.31 117.35 1j6x h LEU 60 Ca -0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1j6x h LEU 60 Cb 0.22 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1j6x h LEU 60 CO 0.01 -0.25 -0.24 0.58 0.09 0.00 0.00 178.44 178.62 1j6x h VAL 61 N -0.37 1.27 -0.52 1.22 2.07 -1.30 -0.18 116.25 118.44 1j6x h VAL 61 Ca -0.01 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1j6x h VAL 61 Cb 0.34 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1j6x h VAL 61 CO -0.02 0.49 0.29 0.00 0.02 0.00 0.00 177.57 178.35 1j6x h ALA 62 N 0.86 0.67 -0.07 1.67 0.00 -1.09 0.68 119.26 121.98 1j6x h ALA 62 Ca 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1j6x h ALA 62 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j6x h ALA 62 CO 0.07 -0.04 -0.24 1.49 0.00 0.00 0.00 179.25 180.53 1j6x h GLU 63 N 0.56 0.28 -0.18 0.00 4.57 -1.21 -3.34 114.58 115.26 1j6x h GLU 63 Ca 0.22 -0.22 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1j6x h GLU 63 Cb 0.09 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1j6x h GLU 63 CO -0.13 0.85 -0.47 0.82 -1.18 0.00 0.00 179.01 178.89 1j6x h ILE 64 N -0.22 1.33 -0.89 2.32 2.04 -0.86 -3.26 117.51 117.97 1j6x h ILE 64 Ca -0.01 -1.72 0.10 0.00 1.00 0.00 0.00 64.86 64.23 1j6x h ILE 64 Cb 0.88 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 1j6x h ILE 64 CO 0.05 0.53 0.58 -0.29 0.00 0.00 0.00 178.15 179.02 1j6x h ILE 65 N 0.31 0.96 0.00 -0.67 2.10 -1.03 0.19 117.51 119.37 1j6x h ILE 65 Ca -0.01 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1j6x h ILE 65 Cb 1.09 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 1j6x h ILE 65 CO 0.10 0.16 0.00 0.54 -1.08 0.00 0.00 178.15 177.87 1j6x n ARG 66 N -4.53 0.44 -0.05 2.19 1.74 -1.23 -1.11 116.66 114.10 1j6x n ARG 66 Ca 0.15 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 1j6x n ARG 66 Cb 0.32 -1.33 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 1j6x n ARG 66 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1j6x n ASN 67 N -0.83 0.41 -0.19 0.55 3.02 0.66 -4.26 115.26 114.62 1j6x n ASN 67 Ca 0.07 0.19 0.11 0.00 -0.03 0.00 0.00 54.58 54.92 1j6x n ASN 67 Cb 0.03 0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 1j6x n ASN 67 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1j6x n HIS 68 N -2.85 0.00 -3.77 3.10 8.25 -0.27 -4.95 115.22 114.73 1j6x n HIS 68 Ca -0.23 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 1j6x n HIS 68 Cb 1.06 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 32.01 1j6x n HIS 68 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j6x s ALA 69 N -2.79 -0.61 -2.49 -1.41 0.00 -0.50 -5.02 121.76 108.94 1j6x s ALA 69 Ca 0.13 0.78 0.25 0.00 0.00 0.00 0.00 51.96 53.13 1j6x s ALA 69 Cb 0.17 -0.47 0.47 0.00 0.00 0.00 0.00 23.12 23.29 1j6x s ALA 69 CO 0.73 -0.14 1.40 0.27 0.00 0.00 0.00 175.76 178.02 1j6x n ASN 70 N 3.25 2.11 -0.93 0.00 0.23 -1.26 -4.39 115.26 114.26 1j6x n ASN 70 Ca -0.16 -1.60 0.07 0.00 -0.53 0.00 0.00 54.58 52.36 1j6x n ASN 70 Cb 0.57 0.12 0.23 0.00 -2.08 0.00 0.00 39.78 38.62 1j6x n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j6x n TYR 71 N 0.46 0.82 -2.72 -2.53 0.18 -1.26 -4.99 117.16 107.13 1j6x n TYR 71 Ca 0.14 -0.63 -0.42 0.00 1.88 0.00 0.00 57.90 58.88 1j6x n TYR 71 Cb 0.47 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 39.25 1j6x n TYR 71 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1j6x s VAL 72 N -1.67 4.86 -0.22 -3.48 1.01 -1.26 -1.94 120.40 117.71 1j6x s VAL 72 Ca 0.35 2.03 -0.04 0.00 0.00 0.00 0.00 61.98 64.32 1j6x s VAL 72 Cb 0.23 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 1j6x s VAL 72 CO 0.17 0.14 -0.05 0.52 0.00 0.00 0.00 175.10 175.87 1j6x n VAL 73 N 3.99 1.58 -3.46 2.92 0.31 0.24 -4.94 118.33 118.98 1j6x n VAL 73 Ca 0.06 -0.53 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 1j6x n VAL 73 Cb 0.51 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.79 1j6x n VAL 73 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j6x s ASP 74 N -6.83 -0.60 -0.24 4.52 2.15 -0.84 -4.96 116.67 109.88 1j6x s ASP 74 Ca -0.32 0.25 -0.04 0.00 0.43 0.00 0.00 52.55 52.88 1j6x s ASP 74 Cb 0.09 0.58 0.09 0.00 -0.30 0.00 0.00 42.92 43.38 1j6x s ASP 74 CO 0.63 -0.84 0.17 0.86 -0.17 0.00 0.00 175.17 175.82 1j6x s TRP 75 N -2.84 0.01 0.00 -5.34 -0.11 -1.26 -0.95 118.94 108.47 1j6x s TRP 75 Ca -0.03 -0.35 0.05 0.00 1.22 0.00 0.00 56.10 56.98 1j6x s TRP 75 Cb -0.01 -0.64 -0.01 0.00 -1.50 0.00 0.00 33.47 31.30 1j6x s TRP 75 CO -0.05 -0.71 -0.16 -1.12 -4.62 0.00 0.00 176.95 170.30 1j6x s SER 76 N 2.21 1.84 0.00 5.86 0.01 -0.50 -4.91 113.70 118.21 1j6x s SER 76 Ca 0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1j6x s SER 76 Cb -0.16 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1j6x s SER 76 CO -0.23 0.16 0.00 -0.81 0.41 0.00 0.00 173.24 172.77 1j6x n PRO 77 N 2.49 3.33 -0.02 12.44 -0.04 -1.26 -0.21 135.00 151.73 1j6x n PRO 77 Ca -0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1j6x n PRO 77 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 1j6x n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j6x n GLY 79 N 4.11 -0.59 0.00 0.55 0.00 -1.26 -4.80 105.19 103.20 1j6x n GLY 79 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1j6x n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6x n GLN 81 N -0.96 -1.49 0.00 0.00 6.02 -1.26 -4.81 117.38 114.88 1j6x n GLN 81 Ca 0.19 1.01 0.07 0.00 -0.01 0.00 0.00 57.00 58.26 1j6x n GLN 81 Cb 0.09 -5.35 -0.01 0.00 1.02 0.00 0.00 30.24 25.99 1j6x n GLN 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1j6x n THR 82 N -2.17 0.00 -3.60 5.09 -2.24 -1.26 -4.65 114.28 105.44 1j6x n THR 82 Ca -0.16 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1j6x n THR 82 Cb 0.59 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1j6x n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j6x n GLY 83 N 1.10 1.02 3.06 3.38 0.00 -1.26 -0.91 105.19 111.59 1j6x n GLY 83 Ca 0.05 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1j6x n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j6x s PHE 84 N -4.73 0.64 -0.14 1.61 0.08 -0.60 -4.59 117.98 110.25 1j6x s PHE 84 Ca 0.03 -0.57 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 1j6x s PHE 84 Cb -0.00 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 42.02 1j6x s PHE 84 CO 0.00 -0.11 0.07 0.71 -0.10 0.00 0.00 175.22 175.79 1j6x s TYR 85 N -1.71 3.34 -0.11 0.36 2.02 0.71 -1.27 117.35 120.69 1j6x s TYR 85 Ca -0.08 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1j6x s TYR 85 Cb -0.08 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1j6x s TYR 85 CO -0.01 0.43 -0.20 -1.17 -1.57 0.00 0.00 175.55 173.04 1j6x s LEU 86 N -0.41 2.35 -0.11 -1.29 2.96 -0.02 -1.41 118.68 120.76 1j6x s LEU 86 Ca 0.10 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1j6x s LEU 86 Cb -0.12 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1j6x s LEU 86 CO 0.02 0.17 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.10 1j6x s THR 87 N 0.32 1.96 0.28 3.68 2.01 -0.12 -0.35 115.64 123.43 1j6x s THR 87 Ca -0.15 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 60.98 1j6x s THR 87 Cb -0.17 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1j6x s THR 87 CO 0.08 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.13 1j6x s VAL 88 N 0.51 1.89 -0.03 3.82 -7.23 -0.30 0.82 120.40 119.88 1j6x s VAL 88 Ca -0.15 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 57.85 1j6x s VAL 88 Cb -0.17 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1j6x s VAL 88 CO 0.06 -0.33 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.19 1j6x s LEU 89 N -3.47 1.77 -1.38 1.32 2.96 -0.82 -1.58 118.68 117.48 1j6x s LEU 89 Ca 0.29 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 1j6x s LEU 89 Cb 0.02 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.10 1j6x s LEU 89 CO 0.13 0.07 1.07 0.59 -1.32 0.00 0.00 176.35 176.89 1j6x n ASN 90 N 3.36 -4.97 -3.73 3.68 5.03 0.18 -4.83 115.26 113.98 1j6x n ASN 90 Ca -0.19 -0.63 -0.12 0.00 0.87 0.00 0.00 54.58 54.51 1j6x n ASN 90 Cb 0.54 -4.69 -0.12 0.00 -1.02 0.00 0.00 39.78 34.49 1j6x n ASN 90 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1j6x s HIS 91 N -3.35 -0.40 -0.29 3.10 2.46 -1.26 -5.02 115.29 110.53 1j6x s HIS 91 Ca 0.48 0.92 0.19 0.00 0.47 0.00 0.00 55.06 57.11 1j6x s HIS 91 Cb -0.22 0.12 0.47 0.00 -0.13 0.00 0.00 32.58 32.82 1j6x s HIS 91 CO 0.76 -0.24 1.28 -3.47 -2.47 0.00 0.00 174.74 170.60 1j6x n ASP 92 N 3.85 0.34 -4.18 9.88 2.03 -1.26 -4.74 116.55 122.47 1j6x n ASP 92 Ca -0.21 -2.12 -0.34 0.00 0.52 0.00 0.00 54.79 52.63 1j6x n ASP 92 Cb 0.55 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.80 1j6x n ASP 92 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1j6x s ASN 93 N -2.72 4.43 0.11 1.67 2.47 -1.26 -5.00 114.94 114.64 1j6x s ASN 93 Ca 0.20 -1.01 -0.22 0.00 0.42 0.00 0.00 52.86 52.25 1j6x s ASN 93 Cb 0.37 -1.66 -0.10 0.00 -1.45 0.00 0.00 41.25 38.42 1j6x s ASN 93 CO -0.07 -0.16 1.72 0.22 -3.72 0.00 0.00 177.10 175.08 1j6x h TYR 94 N 7.99 -0.08 -0.74 0.43 3.20 -2.00 -2.87 116.97 122.89 1j6x h TYR 94 Ca -0.29 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.69 1j6x h TYR 94 Cb 1.09 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 1j6x h TYR 94 CO 0.59 -0.06 0.37 1.15 -1.64 0.00 0.00 178.16 178.57 1j6x h THR 95 N -0.03 0.84 0.00 1.81 2.02 -2.00 -1.06 112.91 114.49 1j6x h THR 95 Ca 0.04 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1j6x h THR 95 Cb 0.09 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1j6x h THR 95 CO -0.09 0.11 -0.11 -0.33 0.37 0.00 0.00 175.52 175.47 1j6x h GLU 96 N 0.63 0.00 -0.30 6.66 5.08 -1.94 -1.78 114.58 122.92 1j6x h GLU 96 Ca 0.37 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1j6x h GLU 96 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1j6x h GLU 96 CO -0.28 0.11 -0.45 0.82 -1.00 0.00 0.00 179.01 178.22 1j6x h ILE 97 N 0.00 1.29 -0.41 3.13 1.08 -1.06 -0.31 117.51 121.22 1j6x h ILE 97 Ca -0.00 -1.64 -0.10 0.00 -0.39 0.00 0.00 64.86 62.73 1j6x h ILE 97 Cb 0.23 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1j6x h ILE 97 CO 0.01 0.53 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.78 1j6x h LEU 98 N 0.62 0.77 -0.59 1.44 3.38 -0.97 -0.93 115.31 119.02 1j6x h LEU 98 Ca 0.04 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1j6x h LEU 98 Cb 1.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1j6x h LEU 98 CO 0.10 0.93 -0.53 -0.33 0.09 0.00 0.00 178.44 178.70 1j6x h GLU 99 N 0.69 0.47 -0.40 1.13 4.39 -1.19 0.36 114.58 120.04 1j6x h GLU 99 Ca 0.11 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 1j6x h GLU 99 Cb 0.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1j6x h GLU 99 CO 0.05 0.89 -0.03 0.28 -1.16 0.00 0.00 179.01 179.03 1j6x h VAL 100 N 0.37 1.27 -0.66 3.13 2.07 -0.86 -0.40 116.25 121.17 1j6x h VAL 100 Ca 0.01 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1j6x h VAL 100 Cb 1.05 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1j6x h VAL 100 CO 0.10 0.36 0.23 -0.07 0.02 0.00 0.00 177.57 178.21 1j6x h LEU 101 N 0.55 0.93 0.55 2.57 3.38 -1.00 0.03 115.31 122.33 1j6x h LEU 101 Ca 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1j6x h LEU 101 Cb 0.53 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1j6x h LEU 101 CO 0.03 0.87 -0.33 -0.08 0.09 0.00 0.00 178.44 179.02 1j6x h GLU 102 N 0.94 -0.80 -1.00 1.13 4.81 -0.73 -2.40 114.58 116.52 1j6x h GLU 102 Ca 0.22 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1j6x h GLU 102 Cb 0.25 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 1j6x h GLU 102 CO -0.01 -0.54 0.63 0.87 -0.73 0.00 0.00 179.01 179.24 1j6x h LYS 103 N -0.83 1.03 -1.16 1.92 1.57 -0.97 -1.55 116.57 116.58 1j6x h LYS 103 Ca -0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1j6x h LYS 103 Cb 0.67 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j6x h LYS 103 CO 0.08 0.68 0.00 2.41 -0.57 0.00 0.00 179.45 182.05 1j6x n THR 104 N -4.58 0.15 0.00 -0.16 -1.04 -0.01 -2.06 114.28 106.58 1j6x n THR 104 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1j6x n THR 104 Cb 0.28 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1j6x n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j6x n GLN 106 N 0.68 0.00 0.26 -2.82 6.02 -0.58 -2.18 117.38 118.77 1j6x n GLN 106 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 1j6x n GLN 106 Cb 0.10 0.00 0.71 0.00 1.02 0.00 0.00 30.24 32.07 1j6x n GLN 106 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1j6x h ASP 107 N 0.00 0.00 -0.29 1.08 3.32 -1.69 -2.36 116.42 116.48 1j6x h ASP 107 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1j6x h ASP 107 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1j6x h ASP 107 CO 0.00 0.00 -0.38 0.58 -1.72 0.00 0.00 179.24 177.72 1j6x h VAL 108 N 0.00 1.28 -0.02 -1.35 2.07 -1.72 -2.59 116.25 113.92 1j6x h VAL 108 Ca 0.00 -1.55 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 1j6x h VAL 108 Cb 0.44 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1j6x h VAL 108 CO 0.00 0.51 -0.41 -0.07 0.02 0.00 0.00 177.57 177.62 1j6x h LEU 109 N 0.69 0.04 -0.65 2.57 3.38 -1.73 -2.29 115.31 117.33 1j6x h LEU 109 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j6x h LEU 109 Cb 0.94 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1j6x h LEU 109 CO 0.09 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.36 1j6x n LYS 110 N -4.05 1.44 -1.60 1.13 5.02 -1.13 -4.91 118.16 114.07 1j6x n LYS 110 Ca -0.02 -0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 55.29 1j6x n LYS 110 Cb 0.45 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 34.06 1j6x n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j6x s ALA 111 N -1.98 2.27 0.00 7.82 0.00 -0.86 -4.94 121.76 124.07 1j6x s ALA 111 Ca 0.40 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1j6x s ALA 111 Cb 0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1j6x s ALA 111 CO 0.34 -1.61 0.36 0.36 0.00 0.00 0.00 175.76 175.20 1j6x n LYS 112 N -2.51 1.05 -3.56 0.00 2.85 -1.26 -5.06 118.16 109.67 1j6x n LYS 112 Ca 0.12 -0.36 -0.07 0.00 -1.05 0.00 0.00 58.31 56.96 1j6x n LYS 112 Cb 0.51 -0.86 -0.02 0.00 -0.65 0.00 0.00 35.03 34.01 1j6x n LYS 112 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1j6x s GLU 113 N -0.25 0.84 -0.35 -1.58 2.12 -1.26 -5.13 118.70 113.08 1j6x s GLU 113 Ca 0.00 -0.35 -0.14 0.00 0.36 0.00 0.00 54.97 54.84 1j6x s GLU 113 Cb 0.00 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1j6x s GLU 113 CO 0.00 -0.37 0.28 0.54 -0.54 0.00 0.00 175.26 175.17 1j6x s VAL 114 N -3.07 5.25 0.26 3.70 0.11 -1.26 -5.02 120.40 120.37 1j6x s VAL 114 Ca 0.07 -0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 58.60 1j6x s VAL 114 Cb -0.01 -3.78 -0.15 0.00 -1.53 0.00 0.00 36.38 30.91 1j6x s VAL 114 CO -0.06 -0.09 0.92 -2.65 -3.33 0.00 0.00 175.10 169.88 1j6x n PRO 115 N 5.20 1.04 -4.21 1.54 -0.02 -1.26 -2.98 135.00 134.31 1j6x n PRO 115 Ca -0.11 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 1j6x n PRO 115 Cb 0.49 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 1j6x n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j6x n ALA 116 N 0.27 -1.79 -2.83 3.55 0.00 -1.26 -4.87 120.51 113.57 1j6x n ALA 116 Ca 0.12 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1j6x n ALA 116 Cb 0.30 -1.67 0.01 0.00 0.00 0.00 0.00 19.45 18.09 1j6x n ALA 116 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j6x n SER 117 N -2.83 6.76 -3.81 0.00 3.41 -1.16 -4.32 113.62 111.67 1j6x n SER 117 Ca -0.20 -3.56 -0.13 0.00 -0.26 0.00 0.00 58.87 54.72 1j6x n SER 117 Cb 0.63 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 1j6x n SER 117 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j6x s ASN 118 N -1.66 0.46 0.17 4.04 2.20 -1.26 -4.88 114.94 114.01 1j6x s ASN 118 Ca 0.36 -1.33 0.21 0.00 -0.94 0.00 0.00 52.86 51.15 1j6x s ASN 118 Cb 0.13 0.53 0.87 0.00 -2.00 0.00 0.00 41.25 40.77 1j6x s ASN 118 CO -0.02 -1.06 1.64 -0.62 -2.94 0.00 0.00 177.10 174.10 1j6x n GLU 119 N -0.42 0.13 0.08 3.55 1.02 -1.26 -2.34 120.64 121.40 1j6x n GLU 119 Ca 0.01 0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1j6x n GLU 119 Cb 0.63 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 1j6x n GLU 119 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j6x h LYS 120 N 0.00 0.24 -0.12 3.49 1.57 -1.97 -3.38 116.57 116.41 1j6x h LYS 120 Ca 0.00 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1j6x h LYS 120 Cb 0.35 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1j6x h LYS 120 CO 0.00 1.13 -0.18 1.04 -0.57 0.00 0.00 179.45 180.87 1j6x n GLN 121 N -3.47 1.75 -3.58 3.15 6.02 -1.16 -5.02 117.38 115.07 1j6x n GLN 121 Ca -0.13 -2.99 -0.15 0.00 -0.01 0.00 0.00 57.00 53.72 1j6x n GLN 121 Cb 1.03 -1.66 -0.06 0.00 1.02 0.00 0.00 30.24 30.57 1j6x n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j6x n GLY 123 N 1.76 -1.39 2.62 0.00 0.00 -1.26 -4.21 105.19 102.70 1j6x n GLY 123 Ca -0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1j6x n GLY 123 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1j6x n TRP 124 N -1.48 -2.45 -0.04 1.61 -0.00 -1.26 -5.01 117.44 108.79 1j6x n TRP 124 Ca 0.07 -2.33 0.22 0.00 -0.00 0.00 0.00 57.50 55.46 1j6x n TRP 124 Cb 0.34 1.18 0.70 0.00 -0.00 0.00 0.00 31.31 33.52 1j6x n TRP 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1j6x h ALA 125 N 3.47 2.59 -0.30 5.87 0.00 -1.79 -2.13 119.26 126.96 1j6x h ALA 125 Ca -0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1j6x h ALA 125 Cb 1.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1j6x h ALA 125 CO 0.28 -0.77 -0.27 0.00 0.00 0.00 0.00 179.25 178.49 1j6x h ALA 126 N 1.69 0.44 0.00 0.00 0.00 -1.93 -3.38 119.26 116.08 1j6x h ALA 126 Ca 0.29 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1j6x h ALA 126 Cb 1.19 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.92 1j6x h ALA 126 CO -0.00 0.45 2.34 -1.71 0.00 0.00 0.00 179.25 180.32 1j6x n ASN 127 N -4.26 3.04 -4.13 0.00 5.15 -0.80 -4.86 115.26 109.40 1j6x n ASN 127 Ca -0.03 -2.57 -0.09 0.00 -0.60 0.00 0.00 54.58 51.29 1j6x n ASN 127 Cb 0.46 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.53 1j6x n ASN 127 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1j6x s HIS 128 N 4.63 0.71 -0.30 1.20 3.76 -1.26 -4.56 115.29 119.46 1j6x s HIS 128 Ca 0.52 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 54.29 1j6x s HIS 128 Cb 0.13 -0.45 0.17 0.00 1.11 0.00 0.00 32.58 33.53 1j6x s HIS 128 CO 0.08 -0.30 0.89 -0.08 -0.85 0.00 0.00 174.74 174.48 1j6x s THR 129 N -3.81 -0.61 0.17 1.30 -1.32 -1.24 -4.93 115.64 105.19 1j6x s THR 129 Ca 0.11 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.51 1j6x s THR 129 Cb 0.07 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1j6x s THR 129 CO -0.07 0.00 1.52 0.25 -2.21 0.00 0.00 174.62 174.11 1j6x h LEU 130 N 7.76 0.89 0.33 9.08 5.85 -1.97 -2.79 115.31 134.46 1j6x h LEU 130 Ca -0.17 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1j6x h LEU 130 Cb 1.13 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1j6x h LEU 130 CO 0.07 1.16 -0.16 -0.08 -0.34 0.00 0.00 178.44 179.09 1j6x h GLU 131 N 0.69 -0.43 -0.40 1.25 4.81 -1.98 0.29 114.58 118.82 1j6x h GLU 131 Ca 0.06 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1j6x h GLU 131 Cb 0.94 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1j6x h GLU 131 CO 0.09 -0.21 0.10 0.78 -0.73 0.00 0.00 179.01 179.04 1j6x h GLY 132 N -0.56 0.49 0.43 1.92 0.00 -1.95 0.57 103.07 103.96 1j6x h GLY 132 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1j6x h GLY 132 CO 0.07 -0.01 -0.42 0.00 0.00 0.00 0.00 176.54 176.18 1j6x h ALA 133 N 1.29 -0.82 -0.72 3.60 0.00 -1.39 0.11 119.26 121.32 1j6x h ALA 133 Ca 0.19 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1j6x h ALA 133 Cb 0.21 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1j6x h ALA 133 CO -0.23 -1.02 0.47 1.96 0.00 0.00 0.00 179.25 180.44 1j6x h GLN 134 N -0.74 0.63 -0.56 0.00 4.20 -0.47 0.43 115.11 118.60 1j6x h GLN 134 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1j6x h GLN 134 Cb 0.71 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1j6x h GLN 134 CO -0.16 0.42 0.27 -0.91 -0.67 0.00 0.00 178.83 177.78 1j6x h ASN 135 N 0.65 0.73 -0.51 1.46 2.35 0.16 -0.23 115.58 120.19 1j6x h ASN 135 Ca 0.33 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1j6x h ASN 135 Cb 0.41 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1j6x h ASN 135 CO -0.11 0.65 0.22 -0.07 -1.65 0.00 0.00 177.43 176.48 1j6x h LEU 136 N 0.76 0.68 -0.89 1.61 3.38 0.12 -1.94 115.31 119.02 1j6x h LEU 136 Ca 0.19 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1j6x h LEU 136 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1j6x h LEU 136 CO -0.02 0.64 -0.02 0.00 0.09 0.00 0.00 178.44 179.12 1j6x h ALA 137 N 1.07 1.07 -0.17 1.53 0.00 -0.72 -1.14 119.26 120.90 1j6x h ALA 137 Ca 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1j6x h ALA 137 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j6x h ALA 137 CO -0.02 0.58 -0.02 -0.09 0.00 0.00 0.00 179.25 179.70 1j6x h ARG 138 N 0.74 0.32 -0.62 0.00 2.43 -0.87 0.53 114.38 116.90 1j6x h ARG 138 Ca 0.14 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1j6x h ARG 138 Cb 0.48 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1j6x h ARG 138 CO 0.02 0.56 0.40 0.00 -1.51 0.00 0.00 179.97 179.44 1j6x h ALA 139 N 0.74 0.80 -0.23 2.80 0.00 -1.21 0.35 119.26 122.50 1j6x h ALA 139 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j6x h ALA 139 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j6x h ALA 139 CO 0.01 0.17 0.14 0.35 0.00 0.00 0.00 179.25 179.92 1j6x h PHE 140 N 0.80 0.31 -0.61 0.00 3.57 -1.11 -2.84 116.94 117.05 1j6x h PHE 140 Ca 0.24 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1j6x h PHE 140 Cb -0.04 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1j6x h PHE 140 CO -0.04 0.25 0.39 -0.07 -2.23 0.00 0.00 178.31 176.61 1j6x h LEU 141 N 0.28 0.67 -1.59 0.59 3.38 -0.08 -2.64 115.31 115.92 1j6x h LEU 141 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1j6x h LEU 141 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j6x h LEU 141 CO -0.02 0.47 0.21 0.44 0.09 0.00 0.00 178.44 179.64 1j6x h ASP 142 N 0.79 0.00 -0.09 -0.43 3.32 -0.08 -0.47 116.42 119.46 1j6x h ASP 142 Ca 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1j6x h ASP 142 Cb -0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1j6x h ASP 142 CO -0.07 0.00 -0.39 0.29 -1.72 0.00 0.00 179.24 177.35 1j6x n LYS 143 N -2.47 1.65 -0.28 3.56 5.02 -1.00 -4.78 118.16 119.86 1j6x n LYS 143 Ca -0.02 -3.27 0.10 0.00 -2.02 0.00 0.00 58.31 53.10 1j6x n LYS 143 Cb 0.25 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 33.83 1j6x n LYS 143 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1j6x h ARG 144 N 0.99 0.22 -0.77 1.97 9.65 -1.13 0.51 114.38 125.82 1j6x h ARG 144 Ca 0.06 -0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.10 1j6x h ARG 144 Cb 1.17 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 1j6x h ARG 144 CO 0.10 0.15 0.52 0.00 2.80 0.00 0.00 179.97 183.54 1j6x h ALA 145 N 1.72 2.31 -0.01 2.80 0.00 -1.86 -1.26 119.26 122.96 1j6x h ALA 145 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1j6x h ALA 145 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1j6x h ALA 145 CO -0.61 -0.53 -0.05 0.39 0.00 0.00 0.00 179.25 178.45 1j6x n GLU 146 N -4.44 1.31 -0.30 0.00 1.02 0.17 -4.57 120.64 113.83 1j6x n GLU 146 Ca 0.15 -0.64 0.10 0.00 -0.02 0.00 0.00 57.16 56.75 1j6x n GLU 146 Cb 0.65 -1.49 0.26 0.00 -0.02 0.00 0.00 31.44 30.84 1j6x n GLU 146 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1j6x h TRP 147 N 1.57 0.72 -0.03 -0.32 4.06 -1.20 -0.83 115.95 119.92 1j6x h TRP 147 Ca 0.00 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1j6x h TRP 147 Cb 0.40 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1j6x h TRP 147 CO 0.00 0.08 0.00 -1.13 -3.56 0.00 0.00 178.44 173.83 1j6x n SER 148 N -4.95 0.78 -4.37 -3.49 3.41 -1.26 -0.82 113.62 102.92 1j6x n SER 148 Ca 0.19 -1.35 -0.45 0.00 -0.26 0.00 0.00 58.87 57.00 1j6x n SER 148 Cb 0.53 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1j6x n SER 148 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1j6x s GLU 149 N -1.97 3.32 0.13 4.33 2.12 -0.32 -4.84 118.70 121.47 1j6x s GLU 149 Ca 0.39 -1.80 -0.02 0.00 0.36 0.00 0.00 54.97 53.89 1j6x s GLU 149 Cb 0.20 -4.45 -0.10 0.00 0.26 0.00 0.00 34.13 30.04 1j6x s GLU 149 CO 0.32 -1.49 1.30 0.28 -0.54 0.00 0.00 175.26 175.13 1j6x h VAL 150 N 5.55 1.44 0.00 3.70 2.07 -1.82 -3.43 116.25 123.76 1j6x h VAL 150 Ca -0.09 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1j6x h VAL 150 Cb 1.06 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1j6x h VAL 150 CO 0.99 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.95 1j6x n GLY 151 N 1.02 1.72 0.00 2.17 0.00 -1.26 -0.31 105.19 108.52 1j6x n GLY 151 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j6x n GLY 151 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70