#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 1.96 -4.68 3.14 3.02 -1.26 -5.12 115.26 112.32 1j6x n ASN 4 Ca 0.00 -0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 1j6x n ASN 4 Cb 0.00 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1j6x n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j6x s VAL 5 N -2.53 4.72 0.32 2.41 1.01 -1.26 -4.98 120.40 120.09 1j6x s VAL 5 Ca -0.30 2.00 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1j6x s VAL 5 Cb 0.08 -4.28 0.18 0.00 0.00 0.00 0.00 36.38 32.36 1j6x s VAL 5 CO 0.66 -0.02 1.89 1.05 0.00 0.00 0.00 175.10 178.68 1j6x h GLU 6 N 7.18 0.67 0.00 2.72 -0.00 -2.01 -2.61 114.58 120.54 1j6x h GLU 6 Ca -0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 1j6x h GLU 6 Cb 1.14 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1j6x h GLU 6 CO 0.87 0.61 0.00 0.66 -0.00 0.00 0.00 179.01 181.15 1j6x h SER 7 N 0.65 0.00 0.95 3.06 4.64 -1.93 -0.80 113.55 120.13 1j6x h SER 7 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1j6x h SER 7 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1j6x h SER 7 CO -0.00 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.70 1j6x h PHE 8 N 0.00 0.00 -0.11 4.77 0.04 -1.88 -2.58 116.94 117.18 1j6x h PHE 8 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j6x h PHE 8 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1j6x h PHE 8 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 1j6x n ASN 9 N -2.42 2.36 -4.75 2.17 5.03 -0.31 -4.86 115.26 112.48 1j6x n ASN 9 Ca 0.03 -1.79 -0.37 0.00 0.87 0.00 0.00 54.58 53.31 1j6x n ASN 9 Cb 0.29 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.84 4.31 -0.89 3.41 2.96 -0.97 -5.02 118.68 120.64 1j6x s LEU 10 Ca 0.34 0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 1j6x s LEU 10 Cb 0.20 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.39 1j6x s LEU 10 CO 0.31 0.10 1.30 -0.62 -1.32 0.00 0.00 176.35 176.12 1j6x s ASP 11 N 0.23 6.38 0.59 3.68 -1.08 -1.26 -4.86 116.67 120.35 1j6x s ASP 11 Ca 0.22 -1.20 0.38 0.00 -0.52 0.00 0.00 52.55 51.44 1j6x s ASP 11 Cb -0.15 -2.53 2.07 0.00 -1.46 0.00 0.00 42.92 40.86 1j6x s ASP 11 CO 0.09 -1.54 2.17 0.45 0.52 0.00 0.00 175.17 176.86 1j6x h HIS 12 N 9.71 0.00 -0.01 -5.34 3.86 -1.95 -1.47 115.15 119.95 1j6x h HIS 12 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j6x h HIS 12 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1j6x h HIS 12 CO 1.19 0.00 -0.03 0.25 0.86 0.00 0.00 177.93 180.20 1j6x n THR 13 N -2.87 0.00 0.03 2.45 -2.24 -1.26 -3.80 114.28 106.59 1j6x n THR 13 Ca -0.03 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1j6x n THR 13 Cb 0.09 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.57 0.81 -4.01 -0.78 5.02 -0.55 -5.03 118.16 113.04 1j6x n LYS 14 Ca 0.20 -1.02 -0.23 0.00 -2.02 0.00 0.00 58.31 55.24 1j6x n LYS 14 Cb 0.24 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.51 5.02 -0.26 -0.18 -7.23 -1.24 -4.52 120.40 111.49 1j6x s VAL 15 Ca 0.03 -1.02 -0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1j6x s VAL 15 Cb 0.02 -3.68 0.08 0.00 0.56 0.00 0.00 36.38 33.36 1j6x s VAL 15 CO 0.02 -0.26 0.03 -0.75 -0.31 0.00 0.00 175.10 173.83 1j6x s LYS 16 N -3.69 1.08 0.63 4.82 2.20 0.15 -4.91 119.74 120.02 1j6x s LYS 16 Ca 0.34 -0.95 -0.17 0.00 -0.36 0.00 0.00 55.97 54.83 1j6x s LYS 16 Cb -0.09 -2.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.88 1j6x s LYS 16 CO 0.27 -0.76 1.14 0.00 -0.36 0.00 0.00 175.35 175.64 1j6x s ALA 17 N 1.54 2.48 0.48 3.13 0.00 -1.26 -4.44 121.76 123.68 1j6x s ALA 17 Ca 0.02 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1j6x s ALA 17 Cb -0.18 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1j6x s ALA 17 CO -0.13 -1.23 0.82 -1.25 0.00 0.00 0.00 175.76 173.98 1j6x s PRO 18 N -3.78 3.63 -0.11 0.00 0.04 -1.26 -4.80 135.00 128.73 1j6x s PRO 18 Ca 0.71 0.38 -0.32 0.00 0.04 0.00 0.00 61.00 61.80 1j6x s PRO 18 Cb -0.24 -2.33 0.12 0.00 0.04 0.00 0.00 34.50 32.09 1j6x s PRO 18 CO 0.37 -0.21 1.06 1.52 0.04 0.00 0.00 177.00 179.78 1j6x s TYR 19 N -2.69 -0.24 -0.21 0.56 -0.85 -0.62 -4.40 117.35 108.90 1j6x s TYR 19 Ca 0.50 0.16 0.01 0.00 -0.52 0.00 0.00 57.07 57.22 1j6x s TYR 19 Cb -0.10 0.52 0.03 0.00 0.38 0.00 0.00 41.96 42.79 1j6x s TYR 19 CO 0.42 -0.36 -0.15 0.08 -1.52 0.00 0.00 175.55 174.01 1j6x s VAL 20 N -2.67 2.20 -0.05 -3.49 1.01 -0.38 -0.77 120.40 116.26 1j6x s VAL 20 Ca 0.07 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1j6x s VAL 20 Cb -0.01 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1j6x s VAL 20 CO -0.06 0.31 -0.24 -0.60 0.00 0.00 0.00 175.10 174.51 1j6x s ARG 21 N 1.23 2.44 -0.58 2.72 3.52 0.11 -4.75 118.95 123.64 1j6x s ARG 21 Ca -0.00 -0.90 -0.27 0.00 -0.13 0.00 0.00 55.73 54.43 1j6x s ARG 21 Cb -0.16 -2.15 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1j6x s ARG 21 CO -0.09 0.44 1.78 0.42 -0.81 0.00 0.00 175.30 177.04 1j6x s ILE 22 N -0.31 3.43 -0.09 4.11 1.01 -1.26 0.50 121.20 128.59 1j6x s ILE 22 Ca 0.01 0.30 0.09 0.00 0.00 0.00 0.00 60.65 61.05 1j6x s ILE 22 Cb -0.13 -4.01 -0.24 0.00 0.01 0.00 0.00 42.46 38.10 1j6x s ILE 22 CO 0.02 -0.92 0.49 0.00 0.00 0.00 0.00 174.94 174.53 1j6x n ALA 23 N 11.95 1.37 -3.48 9.38 0.00 -0.29 -4.91 120.51 134.53 1j6x n ALA 23 Ca 0.19 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1j6x n ALA 23 Cb 0.51 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 1j6x n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j6x s ASP 24 N -6.23 -0.50 0.01 0.00 2.15 -0.73 -4.91 116.67 106.46 1j6x s ASP 24 Ca -0.10 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1j6x s ASP 24 Cb 0.07 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.17 1j6x s ASP 24 CO 0.81 -0.72 -0.03 -0.13 -0.17 0.00 0.00 175.17 174.93 1j6x s ARG 25 N -2.75 0.25 -0.07 4.34 0.52 -1.26 -0.51 118.95 119.47 1j6x s ARG 25 Ca -0.00 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1j6x s ARG 25 Cb -0.01 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.49 1j6x s ARG 25 CO -0.06 -0.01 0.37 0.15 0.02 0.00 0.00 175.30 175.77 1j6x s LYS 26 N -0.94 0.59 -0.07 3.54 1.02 -0.20 -5.00 119.74 118.70 1j6x s LYS 26 Ca -0.09 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.06 1j6x s LYS 26 Cb -0.06 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1j6x s LYS 26 CO -0.00 -0.13 -0.07 0.21 -0.92 0.00 0.00 175.35 174.44 1j6x s LYS 27 N -0.64 1.17 1.20 1.68 2.20 -1.26 -0.93 119.74 123.17 1j6x s LYS 27 Ca -0.07 -0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 55.20 1j6x s LYS 27 Cb -0.04 -1.16 0.29 0.00 -1.51 0.00 0.00 37.83 35.42 1j6x s LYS 27 CO 0.03 -0.12 1.02 0.20 -0.36 0.00 0.00 175.35 176.12 1j6x s GLY 28 N 1.15 1.52 0.50 5.54 0.00 -0.08 -4.89 107.32 111.07 1j6x s GLY 28 Ca -0.07 -0.34 0.28 0.00 0.00 0.00 0.00 44.72 44.60 1j6x s GLY 28 CO -0.01 0.44 1.94 -0.24 0.00 0.00 0.00 173.10 175.23 1j6x h VAL 29 N -2.72 0.39 -0.02 1.40 3.04 -2.01 -2.81 116.25 113.52 1j6x h VAL 29 Ca -0.58 -0.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1j6x h VAL 29 Cb 1.34 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 1j6x h VAL 29 CO 0.47 0.13 -0.08 0.59 -1.01 0.00 0.00 177.57 177.68 1j6x n ASN 30 N -3.35 1.73 0.00 3.17 3.02 -1.26 -4.96 115.26 113.60 1j6x n ASN 30 Ca -0.00 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1j6x n ASN 30 Cb 0.34 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.26 2.32 3.73 7.41 0.00 -1.06 -5.09 105.19 113.76 1j6x n GLY 31 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.72 6.47 0.08 1.61 1.01 -1.26 -4.72 116.67 118.13 1j6x s ASP 32 Ca 0.00 2.79 -0.03 0.00 0.71 0.00 0.00 52.55 56.02 1j6x s ASP 32 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1j6x s ASP 32 CO 0.00 -0.87 0.29 -0.22 0.21 0.00 0.00 175.17 174.57 1j6x s LEU 33 N 0.46 4.33 -0.05 1.23 2.96 -1.26 -0.90 118.68 125.44 1j6x s LEU 33 Ca 0.68 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1j6x s LEU 33 Cb -0.46 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.24 1j6x s LEU 33 CO 0.38 0.15 0.04 -0.63 -1.32 0.00 0.00 176.35 174.96 1j6x s ILE 34 N -1.51 0.05 -0.06 6.68 1.01 -0.10 -1.13 121.20 126.13 1j6x s ILE 34 Ca 0.35 0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1j6x s ILE 34 Cb -0.13 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1j6x s ILE 34 CO 0.24 0.20 -0.23 -0.69 0.00 0.00 0.00 174.94 174.45 1j6x s VAL 35 N 2.01 2.23 -0.10 2.92 1.01 -0.73 -1.03 120.40 126.71 1j6x s VAL 35 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1j6x s VAL 35 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1j6x s VAL 35 CO -0.04 0.57 -0.17 -0.75 0.00 0.00 0.00 175.10 174.72 1j6x s LYS 36 N -0.19 3.06 -0.11 2.72 2.20 0.34 -0.39 119.74 127.37 1j6x s LYS 36 Ca -0.02 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 1j6x s LYS 36 Cb -0.14 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.70 1j6x s LYS 36 CO 0.03 0.31 -0.12 0.71 -0.36 0.00 0.00 175.35 175.92 1j6x s TYR 37 N 0.08 2.80 -0.61 4.03 2.02 0.25 -1.14 117.35 124.78 1j6x s TYR 37 Ca -0.07 -0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 55.96 1j6x s TYR 37 Cb -0.15 -1.78 0.07 0.00 -0.40 0.00 0.00 41.96 39.69 1j6x s TYR 37 CO 0.05 -0.06 0.90 0.34 -1.57 0.00 0.00 175.55 175.21 1j6x s ASP 38 N -0.02 6.21 -0.49 2.29 -1.08 0.18 -1.25 116.67 122.51 1j6x s ASP 38 Ca -0.03 -0.90 -0.10 0.00 -0.52 0.00 0.00 52.55 51.00 1j6x s ASP 38 Cb -0.14 -2.40 0.12 0.00 -1.46 0.00 0.00 42.92 39.05 1j6x s ASP 38 CO 0.04 -1.31 0.38 0.54 0.52 0.00 0.00 175.17 175.35 1j6x s VAL 39 N 3.75 4.41 -0.30 1.11 0.11 -0.51 0.04 120.40 129.01 1j6x s VAL 39 Ca 0.22 -1.77 -0.21 0.00 -2.93 0.00 0.00 61.98 57.28 1j6x s VAL 39 Cb -0.17 -3.89 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 1j6x s VAL 39 CO 0.12 -0.80 0.69 -0.60 -3.33 0.00 0.00 175.10 171.17 1j6x s ARG 40 N 1.35 3.93 -0.10 1.54 6.06 0.05 -0.65 118.95 131.13 1j6x s ARG 40 Ca 0.06 0.41 0.09 0.00 -2.50 0.00 0.00 55.73 53.80 1j6x s ARG 40 Cb -0.26 -3.73 -0.24 0.00 0.06 0.00 0.00 34.95 30.78 1j6x s ARG 40 CO -0.00 -0.60 0.45 1.19 -2.50 0.00 0.00 175.30 173.84 1j6x n PHE 41 N 5.99 0.81 -4.65 5.12 3.72 0.13 -1.58 117.46 127.01 1j6x n PHE 41 Ca 0.01 0.26 -0.25 0.00 -0.05 0.00 0.00 57.45 57.41 1j6x n PHE 41 Cb 0.49 -1.14 -0.14 0.00 -0.94 0.00 0.00 39.48 37.75 1j6x n PHE 41 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j6x s LYS 42 N -2.57 1.38 0.00 -1.08 -0.14 0.52 -4.56 119.74 113.30 1j6x s LYS 42 Ca -0.10 -0.93 -0.30 0.00 -1.36 0.00 0.00 55.97 53.28 1j6x s LYS 42 Cb 0.07 -1.48 -0.08 0.00 -1.68 0.00 0.00 37.83 34.66 1j6x s LYS 42 CO 0.80 0.38 1.83 -1.14 -0.76 0.00 0.00 175.35 176.47 1j6x s GLN 43 N -1.15 4.16 0.11 1.68 2.00 -1.26 -4.75 119.66 120.45 1j6x s GLN 43 Ca 0.07 2.44 -0.36 0.00 -2.00 0.00 0.00 55.36 55.51 1j6x s GLN 43 Cb -0.09 -4.07 -0.15 0.00 0.80 0.00 0.00 33.01 29.50 1j6x s GLN 43 CO 0.02 -0.90 1.45 -2.30 -0.50 0.00 0.00 175.29 173.05 1j6x n PRO 44 N 7.31 1.58 -1.57 1.67 -0.02 -1.26 -1.78 135.00 140.92 1j6x n PRO 44 Ca 0.19 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 62.05 1j6x n PRO 44 Cb 0.42 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.97 -5.02 0.00 2.55 3.02 -1.26 -4.68 115.26 112.84 1j6x n ASN 45 Ca 0.18 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 1j6x n ASN 45 Cb 0.23 -4.47 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 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 -2.28 3.01 -3.61 3.52 3.00 -0.73 -5.11 116.66 114.46 1j6x n ARG 46 Ca -0.19 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.61 1j6x n ARG 46 Cb 0.63 -0.36 -0.01 0.00 0.00 0.00 0.00 32.46 32.71 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 -0.50 -0.19 0.00 0.55 -1.08 -0.76 -4.95 116.67 109.75 1j6x s ASP 47 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1j6x s ASP 47 Cb 0.00 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.75 1j6x s ASP 47 CO 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 175.17 175.19 1j6x n HIS 48 N -0.31 0.00 -0.33 -5.34 1.44 -1.26 -4.52 115.22 104.89 1j6x n HIS 48 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1j6x n HIS 48 Cb 0.61 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.72 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 3.85 -1.26 -5.02 116.55 118.51 1j6x n ASP 50 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1j6x n ASP 50 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1j6x n ASP 50 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 1j6x n PRO 52 N 0.00 0.00 -0.05 0.11 -0.02 -1.26 -1.54 135.00 132.23 1j6x n PRO 52 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1j6x n PRO 52 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.51 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 0.80 -0.36 2.55 0.02 -1.89 -1.96 113.55 112.70 1j6x h SER 53 Ca 0.00 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1j6x h SER 53 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1j6x h SER 53 CO 0.00 1.13 -0.04 0.25 -1.14 0.00 0.00 176.83 177.02 1j6x h LEU 54 N 0.59 0.67 -0.46 5.07 6.46 -1.65 -0.84 115.31 125.15 1j6x h LEU 54 Ca 0.04 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1j6x h LEU 54 Cb 1.01 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1j6x h LEU 54 CO 0.10 0.85 0.27 -0.74 -0.62 0.00 0.00 178.44 178.29 1j6x h HIS 55 N 0.48 0.63 -0.35 1.25 2.76 -1.80 -0.46 115.15 117.65 1j6x h HIS 55 Ca 0.10 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1j6x h HIS 55 Cb 0.53 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1j6x h HIS 55 CO 0.04 0.46 -0.16 0.77 -1.30 0.00 0.00 177.93 177.74 1j6x h SER 56 N 0.61 0.64 0.16 3.26 0.02 -1.25 -2.53 113.55 114.46 1j6x h SER 56 Ca 0.16 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 1j6x h SER 56 Cb 0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1j6x h SER 56 CO -0.03 0.82 -0.48 0.25 -1.14 0.00 0.00 176.83 176.25 1j6x h LEU 57 N 0.58 0.41 0.35 5.07 5.85 -0.78 -1.21 115.31 125.58 1j6x h LEU 57 Ca 0.10 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1j6x h LEU 57 Cb 0.61 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1j6x h LEU 57 CO 0.04 0.82 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.57 1j6x h GLU 58 N 0.30 -0.65 0.26 1.25 4.81 -0.73 -1.18 114.58 118.65 1j6x h GLU 58 Ca 0.02 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1j6x h GLU 58 Cb 0.95 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1j6x h GLU 58 CO 0.08 -0.43 -0.41 0.45 -0.73 0.00 0.00 179.01 177.97 1j6x h HIS 59 N -0.68 -1.12 0.37 0.92 3.86 -1.34 -1.32 115.15 115.84 1j6x h HIS 59 Ca -0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1j6x h HIS 59 Cb 0.60 0.46 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1j6x h HIS 59 CO -0.17 -0.53 -0.44 -0.07 0.86 0.00 0.00 177.93 177.58 1j6x h LEU 60 N -0.73 -1.23 -0.91 2.43 3.38 -1.12 -2.33 115.31 114.80 1j6x h LEU 60 Ca -0.01 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1j6x h LEU 60 Cb 0.70 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1j6x h LEU 60 CO -0.15 -0.58 0.25 0.58 0.09 0.00 0.00 178.44 178.63 1j6x h VAL 61 N -0.85 1.24 -0.95 1.22 2.07 -1.28 0.13 116.25 117.84 1j6x h VAL 61 Ca -0.03 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.76 1j6x h VAL 61 Cb 0.77 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1j6x h VAL 61 CO -0.11 0.32 0.61 0.00 0.02 0.00 0.00 177.57 178.42 1j6x h ALA 62 N 1.25 1.48 0.07 1.67 0.00 -1.05 0.47 119.26 123.16 1j6x h ALA 62 Ca 0.23 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1j6x h ALA 62 Cb 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j6x h ALA 62 CO -0.02 0.37 -0.96 1.49 0.00 0.00 0.00 179.25 180.13 1j6x h GLU 63 N 1.07 0.15 -0.59 0.00 4.81 -1.22 -3.35 114.58 115.46 1j6x h GLU 63 Ca 0.41 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1j6x h GLU 63 Cb 0.22 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1j6x h GLU 63 CO -0.16 1.13 0.16 0.82 -0.73 0.00 0.00 179.01 180.22 1j6x h ILE 64 N -0.60 1.25 -0.26 2.32 2.04 -0.53 -2.98 117.51 118.74 1j6x h ILE 64 Ca -0.22 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1j6x h ILE 64 Cb 1.49 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1j6x h ILE 64 CO 0.01 0.33 0.04 -0.29 0.00 0.00 0.00 178.15 178.24 1j6x h ILE 65 N 0.85 1.14 0.00 -0.67 2.10 -0.25 -1.40 117.51 119.29 1j6x h ILE 65 Ca 0.19 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1j6x h ILE 65 Cb 0.32 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 1j6x h ILE 65 CO -0.00 0.18 0.00 0.54 -1.08 0.00 0.00 178.15 177.79 1j6x n ARG 66 N -4.36 0.59 0.14 2.19 1.74 -1.13 -1.61 116.66 114.21 1j6x n ARG 66 Ca 0.01 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1j6x n ARG 66 Cb 0.18 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.18 1j6x n ARG 66 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1j6x h ASN 67 N 0.00 0.00 -0.00 0.55 2.35 -1.19 -3.36 115.58 113.93 1j6x h ASN 67 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j6x h ASN 67 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1j6x h ASN 67 CO 0.00 0.01 -0.70 1.41 -1.65 0.00 0.00 177.43 176.50 1j6x n HIS 68 N -2.83 0.00 -4.31 1.19 8.25 -0.63 -5.01 115.22 111.89 1j6x n HIS 68 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1j6x n HIS 68 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1j6x n HIS 68 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j6x n ALA 69 N -1.32 0.58 -1.92 -1.41 0.00 -0.64 -5.04 120.51 110.77 1j6x n ALA 69 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1j6x n ALA 69 Cb 0.24 1.32 0.00 0.00 0.00 0.00 0.00 19.45 21.01 1j6x n ALA 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1j6x n ASN 70 N -1.78 0.00 -0.07 0.00 0.23 -1.26 -4.66 115.26 107.71 1j6x n ASN 70 Ca 0.03 -1.32 0.04 0.00 -0.53 0.00 0.00 54.58 52.80 1j6x n ASN 70 Cb 0.53 -0.06 0.05 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.00 0.00 -2.93 -2.53 0.18 -1.26 -5.04 117.16 105.58 1j6x n TYR 71 Ca 0.00 -0.59 -0.41 0.00 1.88 0.00 0.00 57.90 58.78 1j6x n TYR 71 Cb 0.56 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.52 4.88 -0.08 -3.48 1.01 -1.26 -1.08 120.40 118.88 1j6x s VAL 72 Ca 0.12 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.58 1j6x s VAL 72 Cb 0.11 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 32.13 1j6x s VAL 72 CO 0.01 -0.02 0.55 0.58 0.00 0.00 0.00 175.10 176.21 1j6x h VAL 73 N 5.34 0.80 -1.71 2.92 2.07 -0.81 -3.48 116.25 121.38 1j6x h VAL 73 Ca -0.26 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 64.80 1j6x h VAL 73 Cb 1.11 2.58 -0.22 0.00 -1.52 0.00 0.00 31.29 33.24 1j6x h VAL 73 CO 0.85 0.82 0.40 -0.62 0.02 0.00 0.00 177.57 179.04 1j6x s ASP 74 N -6.94 -0.49 -0.32 0.57 2.15 -1.07 -4.99 116.67 105.59 1j6x s ASP 74 Ca -0.16 0.66 0.02 0.00 0.43 0.00 0.00 52.55 53.49 1j6x s ASP 74 Cb 0.07 0.57 0.10 0.00 -0.30 0.00 0.00 42.92 43.35 1j6x s ASP 74 CO 0.81 -0.36 0.06 0.86 -0.17 0.00 0.00 175.17 176.36 1j6x s TRP 75 N -0.75 2.75 0.00 -5.34 -0.11 -1.26 -0.90 118.94 113.33 1j6x s TRP 75 Ca -0.03 -2.33 0.08 0.00 1.22 0.00 0.00 56.10 55.04 1j6x s TRP 75 Cb -0.02 -2.26 -0.02 0.00 -1.50 0.00 0.00 33.47 29.67 1j6x s TRP 75 CO 0.02 -0.90 -0.26 -1.12 -4.62 0.00 0.00 176.95 170.07 1j6x s SER 76 N 1.26 3.05 0.00 5.86 0.01 -0.07 -4.91 113.70 118.91 1j6x s SER 76 Ca 0.08 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1j6x s SER 76 Cb -0.18 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1j6x s SER 76 CO -0.15 0.29 0.00 -0.81 0.41 0.00 0.00 173.24 172.98 1j6x n PRO 77 N 2.21 3.51 -0.01 12.44 -0.04 -1.26 0.12 135.00 151.97 1j6x n PRO 77 Ca -0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1j6x n PRO 77 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 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 4.41 -0.68 0.11 0.55 0.00 -1.26 -4.79 105.19 103.54 1j6x n GLY 79 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.95 -1.33 -0.00 0.00 6.02 -1.26 -4.88 117.38 114.97 1j6x n GLN 81 Ca 0.15 0.88 0.02 0.00 -0.01 0.00 0.00 57.00 58.04 1j6x n GLN 81 Cb 0.27 -5.29 -0.03 0.00 1.02 0.00 0.00 30.24 26.21 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 -3.73 0.00 -3.16 5.09 -2.24 -1.26 -4.57 114.28 104.41 1j6x n THR 82 Ca -0.20 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1j6x n THR 82 Cb 0.64 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.57 1.68 3.19 3.38 0.00 -1.26 0.20 105.19 113.96 1j6x n GLY 83 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -7.06 1.01 -0.14 1.61 0.08 0.17 -4.64 117.98 109.01 1j6x s PHE 84 Ca 0.00 -0.92 -0.03 0.00 0.12 0.00 0.00 56.93 56.10 1j6x s PHE 84 Cb 0.00 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1j6x s PHE 84 CO 0.00 -0.13 -0.03 0.71 -0.10 0.00 0.00 175.22 175.67 1j6x s TYR 85 N -3.59 3.06 -0.22 0.36 2.02 0.33 -1.43 117.35 117.88 1j6x s TYR 85 Ca 0.15 -0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1j6x s TYR 85 Cb 0.05 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1j6x s TYR 85 CO -0.02 0.07 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.79 1j6x s LEU 86 N 0.11 2.85 -0.13 -1.29 2.96 -0.38 -0.89 118.68 121.92 1j6x s LEU 86 Ca -0.00 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1j6x s LEU 86 Cb -0.13 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1j6x s LEU 86 CO 0.02 -0.04 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.04 1j6x s THR 87 N 1.42 3.49 0.17 3.68 2.01 -0.08 0.87 115.64 127.20 1j6x s THR 87 Ca 0.05 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.61 1j6x s THR 87 Cb -0.15 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1j6x s THR 87 CO -0.05 0.53 -0.17 0.68 -0.69 0.00 0.00 174.62 174.92 1j6x s VAL 88 N 0.14 1.72 -0.12 3.82 -7.23 0.47 -0.08 120.40 119.12 1j6x s VAL 88 Ca -0.04 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1j6x s VAL 88 Cb -0.14 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1j6x s VAL 88 CO 0.04 -0.40 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.05 1j6x s LEU 89 N -2.79 2.58 -1.54 1.32 2.96 -0.24 -1.77 118.68 119.21 1j6x s LEU 89 Ca 0.16 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1j6x s LEU 89 Cb -0.04 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.14 1j6x s LEU 89 CO 0.06 0.18 0.42 0.59 -1.32 0.00 0.00 176.35 176.28 1j6x n ASN 90 N 3.42 -0.84 -3.57 3.68 3.02 -0.28 -4.84 115.26 115.85 1j6x n ASN 90 Ca -0.18 -1.09 -0.15 0.00 -0.03 0.00 0.00 54.58 53.13 1j6x n ASN 90 Cb 0.53 -2.56 -0.13 0.00 -0.61 0.00 0.00 39.78 37.01 1j6x n ASN 90 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1j6x s HIS 91 N -3.85 -0.38 -0.51 3.10 2.46 -1.26 -5.03 115.29 109.82 1j6x s HIS 91 Ca 0.23 0.64 0.07 0.00 0.47 0.00 0.00 55.06 56.48 1j6x s HIS 91 Cb -0.13 -0.18 0.29 0.00 -0.13 0.00 0.00 32.58 32.43 1j6x s HIS 91 CO 0.93 -0.47 0.73 -3.47 -2.47 0.00 0.00 174.74 169.99 1j6x n ASP 92 N 5.34 2.43 -3.54 9.88 -0.08 -1.26 -4.72 116.55 124.60 1j6x n ASP 92 Ca -0.05 -3.22 -0.29 0.00 -1.51 0.00 0.00 54.79 49.71 1j6x n ASP 92 Cb 0.50 -0.63 -0.13 0.00 2.34 0.00 0.00 41.12 43.20 1j6x n ASP 92 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1j6x s ASN 93 N -2.38 3.24 0.25 1.67 3.84 -1.26 -5.02 114.94 115.28 1j6x s ASN 93 Ca 0.41 -2.11 -0.04 0.00 0.21 0.00 0.00 52.86 51.33 1j6x s ASN 93 Cb 0.23 -0.54 0.39 0.00 -0.55 0.00 0.00 41.25 40.78 1j6x s ASN 93 CO -0.08 -0.33 1.82 0.22 -2.79 0.00 0.00 177.10 175.95 1j6x h TYR 94 N 7.23 0.91 -0.32 0.43 3.20 -2.00 -2.51 116.97 123.91 1j6x h TYR 94 Ca -0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1j6x h TYR 94 Cb 0.97 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1j6x h TYR 94 CO 0.42 0.40 0.18 1.15 -1.64 0.00 0.00 178.16 178.68 1j6x h THR 95 N 0.86 1.03 -0.93 1.81 2.02 -2.01 -2.18 112.91 113.52 1j6x h THR 95 Ca 0.40 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.48 1j6x h THR 95 Cb 0.31 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1j6x h THR 95 CO -0.22 0.07 0.61 -0.33 0.37 0.00 0.00 175.52 176.02 1j6x h GLU 96 N 0.38 1.16 -0.46 6.66 5.08 -1.90 -2.10 114.58 123.39 1j6x h GLU 96 Ca 0.13 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1j6x h GLU 96 Cb 0.01 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1j6x h GLU 96 CO -0.06 0.77 0.25 0.82 -1.00 0.00 0.00 179.01 179.79 1j6x h ILE 97 N 1.20 1.00 -0.69 3.13 1.08 -1.00 0.17 117.51 122.41 1j6x h ILE 97 Ca 0.36 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 1j6x h ILE 97 Cb -0.03 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1j6x h ILE 97 CO -0.10 0.09 0.45 -0.07 -0.69 0.00 0.00 178.15 177.83 1j6x h LEU 98 N 0.50 0.77 -0.41 1.44 3.38 -0.94 -0.44 115.31 119.61 1j6x h LEU 98 Ca 0.19 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1j6x h LEU 98 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1j6x h LEU 98 CO -0.11 0.55 0.07 -0.33 0.09 0.00 0.00 178.44 178.71 1j6x h GLU 99 N 0.91 0.69 -0.71 1.13 4.39 -0.93 0.14 114.58 120.20 1j6x h GLU 99 Ca 0.26 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1j6x h GLU 99 Cb -0.08 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1j6x h GLU 99 CO -0.06 0.73 0.37 0.28 -1.16 0.00 0.00 179.01 179.16 1j6x h VAL 100 N 0.54 1.22 -0.24 3.13 2.07 -0.77 0.31 116.25 122.51 1j6x h VAL 100 Ca 0.13 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1j6x h VAL 100 Cb 0.37 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1j6x h VAL 100 CO 0.01 0.25 -0.20 -0.07 0.02 0.00 0.00 177.57 177.58 1j6x h LEU 101 N 0.98 0.43 -0.24 2.57 3.38 -0.80 0.17 115.31 121.79 1j6x h LEU 101 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1j6x h LEU 101 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1j6x h LEU 101 CO -0.04 0.64 -0.10 -0.08 0.09 0.00 0.00 178.44 178.95 1j6x h GLU 102 N 0.39 0.49 -0.14 1.13 4.81 0.62 -3.18 114.58 118.70 1j6x h GLU 102 Ca 0.07 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1j6x h GLU 102 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1j6x h GLU 102 CO 0.04 0.75 0.05 0.87 -0.73 0.00 0.00 179.01 179.98 1j6x h LYS 103 N 0.21 0.22 -0.39 1.92 1.57 -0.17 -2.66 116.57 117.28 1j6x h LYS 103 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1j6x h LYS 103 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1j6x h LYS 103 CO 0.03 0.34 0.00 2.41 -0.57 0.00 0.00 179.45 181.66 1j6x n THR 104 N -4.86 0.00 0.00 -0.16 -1.04 0.56 -1.60 114.28 107.19 1j6x n THR 104 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1j6x n THR 104 Cb 0.13 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.45 0.00 0.10 -2.82 6.02 -1.00 -1.32 117.38 118.81 1j6x n GLN 106 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1j6x n GLN 106 Cb 0.00 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.51 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 0.24 -0.21 1.08 3.32 -1.59 -2.48 116.42 116.77 1j6x h ASP 107 Ca 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1j6x h ASP 107 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1j6x h ASP 107 CO 0.00 0.59 0.13 0.58 -1.72 0.00 0.00 179.24 178.82 1j6x h VAL 108 N 0.20 1.07 0.00 -1.35 2.07 -1.47 -0.48 116.25 116.29 1j6x h VAL 108 Ca 0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1j6x h VAL 108 Cb 0.74 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1j6x h VAL 108 CO 0.06 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.65 1j6x h LEU 109 N 0.31 0.00 -0.86 2.57 3.38 -1.72 -2.91 115.31 116.08 1j6x h LEU 109 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j6x h LEU 109 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1j6x h LEU 109 CO -0.02 0.00 -0.42 0.29 0.09 0.00 0.00 178.44 178.38 1j6x n LYS 110 N -2.78 1.11 -1.96 1.13 5.02 -0.26 -4.97 118.16 115.44 1j6x n LYS 110 Ca 0.03 -0.86 -0.40 0.00 -2.02 0.00 0.00 58.31 55.06 1j6x n LYS 110 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.49 3.44 -0.11 7.82 0.00 -0.77 -4.95 121.76 124.70 1j6x s ALA 111 Ca 0.20 1.38 0.22 0.00 0.00 0.00 0.00 51.96 53.76 1j6x s ALA 111 Cb 0.18 -3.54 -0.33 0.00 0.00 0.00 0.00 23.12 19.44 1j6x s ALA 111 CO 0.56 -0.89 0.52 1.63 0.00 0.00 0.00 175.76 177.58 1j6x n LYS 112 N 0.42 0.61 -3.79 0.00 5.02 -1.26 -4.99 118.16 114.16 1j6x n LYS 112 Ca 0.02 -0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 1j6x n LYS 112 Cb 0.41 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1j6x n LYS 112 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1j6x s GLU 113 N -3.48 0.89 -0.19 1.97 -1.05 -1.26 -5.09 118.70 110.49 1j6x s GLU 113 Ca -0.07 -0.84 -0.26 0.00 -0.15 0.00 0.00 54.97 53.66 1j6x s GLU 113 Cb 0.14 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.20 1j6x s GLU 113 CO 0.91 -0.30 0.86 0.08 0.95 0.00 0.00 175.26 177.75 1j6x s VAL 114 N -3.68 4.84 0.31 1.83 1.01 -1.26 -4.99 120.40 118.46 1j6x s VAL 114 Ca 0.03 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1j6x s VAL 114 Cb 0.03 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1j6x s VAL 114 CO -0.10 -0.03 1.25 -2.16 0.00 0.00 0.00 175.10 174.06 1j6x s PRO 115 N 2.46 4.44 -1.24 2.72 0.04 -1.26 -3.35 135.00 138.81 1j6x s PRO 115 Ca 0.38 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1j6x s PRO 115 Cb -0.16 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1j6x s PRO 115 CO 0.10 -0.07 0.06 0.00 0.04 0.00 0.00 177.00 177.13 1j6x n ALA 116 N 0.95 -0.47 -1.71 8.56 0.00 -1.26 -4.79 120.51 121.79 1j6x n ALA 116 Ca -0.00 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1j6x n ALA 116 Cb 0.43 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.88 7.14 -4.26 0.00 3.41 -1.21 -4.06 113.62 113.75 1j6x n SER 117 Ca -0.16 -3.18 -0.14 0.00 -0.26 0.00 0.00 58.87 55.13 1j6x n SER 117 Cb 0.63 -1.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.19 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 0.36 1.05 0.34 4.04 2.20 -1.26 -4.81 114.94 116.86 1j6x s ASN 118 Ca 0.57 -1.28 0.26 0.00 -0.94 0.00 0.00 52.86 51.46 1j6x s ASN 118 Cb 0.30 0.17 1.15 0.00 -2.00 0.00 0.00 41.25 40.87 1j6x s ASN 118 CO -0.17 -0.67 1.78 -0.33 -2.94 0.00 0.00 177.10 174.78 1j6x h GLU 119 N 2.57 0.00 0.00 3.55 5.08 -1.91 -1.40 114.58 122.47 1j6x h GLU 119 Ca -0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.76 1j6x h GLU 119 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1j6x h GLU 119 CO 0.61 0.00 -1.21 0.87 -1.00 0.00 0.00 179.01 178.27 1j6x h LYS 120 N 0.00 0.00 -0.05 2.33 1.57 -1.97 -3.38 116.57 115.07 1j6x h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j6x h LYS 120 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1j6x h LYS 120 CO 0.00 0.75 0.00 1.04 -0.57 0.00 0.00 179.45 180.67 1j6x n GLN 121 N -3.21 2.31 -3.85 3.15 6.02 -1.02 -5.01 117.38 115.76 1j6x n GLN 121 Ca -0.06 -1.42 -0.12 0.00 -0.01 0.00 0.00 57.00 55.39 1j6x n GLN 121 Cb 0.95 -1.05 -0.12 0.00 1.02 0.00 0.00 30.24 31.04 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 2.64 -1.60 2.44 0.00 0.00 -1.26 -4.15 105.19 103.25 1j6x n GLY 123 Ca -0.15 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.26 -1.62 -0.26 1.61 -0.00 -1.26 -5.03 117.44 108.63 1j6x n TRP 124 Ca 0.05 -2.81 0.14 0.00 -0.00 0.00 0.00 57.50 54.88 1j6x n TRP 124 Cb 0.38 0.50 0.42 0.00 -0.00 0.00 0.00 31.31 32.61 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 3.85 1.95 0.00 5.87 0.00 -1.81 -1.89 119.26 127.23 1j6x h ALA 125 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1j6x h ALA 125 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j6x h ALA 125 CO 0.39 -0.21 -0.29 0.00 0.00 0.00 0.00 179.25 179.14 1j6x h ALA 126 N 1.61 1.15 -0.62 0.00 0.00 -1.95 -3.39 119.26 116.07 1j6x h ALA 126 Ca 0.45 -0.27 -0.72 0.00 0.00 0.00 0.00 54.91 54.37 1j6x h ALA 126 Cb 0.87 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1j6x h ALA 126 CO -0.20 0.37 2.44 -1.71 0.00 0.00 0.00 179.25 180.14 1j6x n ASN 127 N -3.66 4.58 -4.00 0.00 5.15 -0.71 -4.91 115.26 111.70 1j6x n ASN 127 Ca -0.01 -2.95 -0.10 0.00 -0.60 0.00 0.00 54.58 50.92 1j6x n ASN 127 Cb 0.41 -1.61 -0.07 0.00 -0.53 0.00 0.00 39.78 37.98 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 2.31 0.51 -0.30 1.20 3.76 -1.26 -4.61 115.29 116.90 1j6x s HIS 128 Ca 0.45 -0.86 -0.09 0.00 -0.15 0.00 0.00 55.06 54.41 1j6x s HIS 128 Cb 0.09 -0.13 0.18 0.00 1.11 0.00 0.00 32.58 33.83 1j6x s HIS 128 CO -0.02 -0.71 0.85 -0.08 -0.85 0.00 0.00 174.74 173.94 1j6x s THR 129 N -3.99 -0.64 0.06 1.30 -1.32 -1.24 -4.92 115.64 104.88 1j6x s THR 129 Ca 0.20 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.44 1j6x s THR 129 Cb 0.04 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.87 1j6x s THR 129 CO 0.02 0.00 1.59 0.25 -2.21 0.00 0.00 174.62 174.27 1j6x h LEU 130 N 7.90 0.03 -0.24 9.08 5.85 -1.96 -2.06 115.31 133.91 1j6x h LEU 130 Ca -0.18 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1j6x h LEU 130 Cb 1.15 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1j6x h LEU 130 CO 0.07 0.18 0.05 -0.08 -0.34 0.00 0.00 178.44 178.32 1j6x h GLU 131 N -0.12 0.13 -0.42 1.25 4.81 -1.98 0.11 114.58 118.36 1j6x h GLU 131 Ca 0.01 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1j6x h GLU 131 Cb 0.16 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 1j6x h GLU 131 CO -0.00 0.09 -0.00 0.78 -0.73 0.00 0.00 179.01 179.15 1j6x h GLY 132 N 0.14 0.42 1.01 1.92 0.00 -1.92 0.74 103.07 105.39 1j6x h GLY 132 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1j6x h GLY 132 CO -0.14 -0.11 0.44 0.00 0.00 0.00 0.00 176.54 176.74 1j6x h ALA 133 N 1.37 1.02 0.00 3.60 0.00 -0.71 -2.07 119.26 122.47 1j6x h ALA 133 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1j6x h ALA 133 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1j6x h ALA 133 CO -0.35 0.52 -0.21 1.96 0.00 0.00 0.00 179.25 181.17 1j6x h GLN 134 N 1.10 0.00 -0.15 0.00 4.20 0.22 -1.19 115.11 119.29 1j6x h GLN 134 Ca 0.28 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.80 1j6x h GLN 134 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1j6x h GLN 134 CO -0.05 0.21 -0.67 -0.91 -0.67 0.00 0.00 178.83 176.74 1j6x h ASN 135 N 0.00 0.68 0.19 1.46 2.35 -0.20 -0.23 115.58 119.83 1j6x h ASN 135 Ca -0.00 -0.42 -0.17 0.00 -0.55 0.00 0.00 56.30 55.17 1j6x h ASN 135 Cb 0.51 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1j6x h ASN 135 CO 0.03 1.17 -0.63 -0.07 -1.65 0.00 0.00 177.43 176.27 1j6x h LEU 136 N 0.42 0.49 -0.51 1.61 3.38 -1.11 -2.20 115.31 117.40 1j6x h LEU 136 Ca -0.02 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1j6x h LEU 136 Cb 1.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1j6x h LEU 136 CO 0.13 1.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.43 1j6x h ALA 137 N 1.00 0.71 -0.14 1.53 0.00 -1.09 -1.51 119.26 119.76 1j6x h ALA 137 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1j6x h ALA 137 Cb 1.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1j6x h ALA 137 CO 0.11 0.67 -0.04 -0.09 0.00 0.00 0.00 179.25 179.90 1j6x h ARG 138 N 0.83 0.27 0.17 0.00 2.43 -0.98 -1.65 114.38 115.46 1j6x h ARG 138 Ca 0.11 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1j6x h ARG 138 Cb 0.80 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1j6x h ARG 138 CO 0.07 0.58 -0.18 0.00 -1.51 0.00 0.00 179.97 178.92 1j6x h ALA 139 N 0.69 -0.36 -0.87 2.80 0.00 -1.38 0.78 119.26 120.91 1j6x h ALA 139 Ca 0.03 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1j6x h ALA 139 Cb 0.48 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1j6x h ALA 139 CO 0.02 -0.73 0.43 0.35 0.00 0.00 0.00 179.25 179.32 1j6x h PHE 140 N -0.39 0.75 -0.37 0.00 3.57 -1.28 -1.16 116.94 118.06 1j6x h PHE 140 Ca 0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1j6x h PHE 140 Cb 0.37 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1j6x h PHE 140 CO -0.15 0.12 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.90 1j6x h LEU 141 N 0.56 0.70 -1.57 0.59 3.38 -0.64 -3.12 115.31 115.22 1j6x h LEU 141 Ca 0.50 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1j6x h LEU 141 Cb 0.79 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1j6x h LEU 141 CO -0.41 0.90 0.52 0.44 0.09 0.00 0.00 178.44 179.97 1j6x h ASP 142 N 0.50 0.39 -0.65 -0.43 3.32 0.42 -0.38 116.42 119.60 1j6x h ASP 142 Ca 0.09 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 1j6x h ASP 142 Cb 0.58 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.95 1j6x h ASP 142 CO 0.03 0.19 0.27 0.29 -1.72 0.00 0.00 179.24 178.31 1j6x n LYS 143 N -4.48 3.15 -0.25 3.56 5.02 -1.09 -4.67 118.16 119.39 1j6x n LYS 143 Ca 0.15 -2.54 0.04 0.00 -2.02 0.00 0.00 58.31 53.94 1j6x n LYS 143 Cb 0.56 -2.06 0.14 0.00 -0.02 0.00 0.00 35.03 33.65 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 2.08 0.09 0.00 1.97 9.65 -1.08 -0.61 114.38 126.47 1j6x h ARG 144 Ca 0.26 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1j6x h ARG 144 Cb 2.13 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.69 1j6x h ARG 144 CO 0.66 0.06 0.01 0.00 2.80 0.00 0.00 179.97 183.50 1j6x n ALA 145 N -2.96 0.99 0.30 2.80 0.00 -1.26 -1.46 120.51 118.92 1j6x n ALA 145 Ca 0.12 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1j6x n ALA 145 Cb 0.45 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1j6x n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j6x n GLU 146 N -1.82 0.46 -0.44 0.00 1.02 -0.24 -4.58 120.64 115.05 1j6x n GLU 146 Ca -0.01 -0.04 0.36 0.00 -0.02 0.00 0.00 57.16 57.45 1j6x n GLU 146 Cb 0.03 -1.61 0.65 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.00 0.43 -0.01 -0.32 4.06 -1.30 0.13 115.95 118.94 1j6x h TRP 147 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1j6x h TRP 147 Cb 0.87 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1j6x h TRP 147 CO 0.00 -0.11 -0.02 -1.13 -3.56 0.00 0.00 178.44 173.62 1j6x n SER 148 N -4.53 1.17 -4.18 -3.49 3.41 -1.26 -1.25 113.62 103.48 1j6x n SER 148 Ca 0.34 -1.34 -0.40 0.00 -0.26 0.00 0.00 58.87 57.22 1j6x n SER 148 Cb 1.37 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.24 1j6x n SER 148 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j6x s GLU 149 N -2.05 2.54 0.02 4.33 2.02 0.44 -4.92 118.70 121.09 1j6x s GLU 149 Ca 0.39 -2.02 -0.08 0.00 0.02 0.00 0.00 54.97 53.28 1j6x s GLU 149 Cb 0.21 -3.88 -0.30 0.00 0.10 0.00 0.00 34.13 30.25 1j6x s GLU 149 CO 0.36 -1.18 0.94 0.28 0.02 0.00 0.00 175.26 175.68 1j6x h VAL 150 N 5.83 1.25 -0.00 2.63 2.07 -1.82 -3.44 116.25 122.76 1j6x h VAL 150 Ca -0.12 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.59 1j6x h VAL 150 Cb 1.04 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1j6x h VAL 150 CO 0.79 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.83