#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6k s ASP 3 N 0.00 5.40 0.11 4.52 1.01 -1.26 -1.48 116.67 124.97 2j6k s ASP 3 Ca 0.00 -0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.22 2j6k s ASP 3 Cb 0.00 -1.39 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 2j6k s ASP 3 CO 0.00 0.11 -0.21 -0.31 0.21 0.00 0.00 175.17 174.97 2j6k s TYR 4 N -1.59 1.85 -0.13 4.23 2.02 -0.24 -1.43 117.35 122.07 2j6k s TYR 4 Ca 0.30 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.52 2j6k s TYR 4 Cb -0.11 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 2j6k s TYR 4 CO 0.22 0.24 0.08 -1.50 -1.57 0.00 0.00 175.55 173.02 2j6k s ILE 5 N -1.26 4.98 -0.13 2.71 2.07 0.27 -0.45 121.20 129.39 2j6k s ILE 5 Ca 0.08 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 2j6k s ILE 5 Cb -0.09 -3.17 -0.01 0.00 0.13 0.00 0.00 42.46 39.31 2j6k s ILE 5 CO 0.05 0.57 1.01 -0.69 -1.91 0.00 0.00 174.94 173.97 2j6k s VAL 6 N -0.59 4.76 -0.03 4.00 1.01 0.05 -0.80 120.40 128.79 2j6k s VAL 6 Ca 0.11 2.04 0.15 0.00 0.00 0.00 0.00 61.98 64.28 2j6k s VAL 6 Cb -0.12 -4.31 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 2j6k s VAL 6 CO 0.02 -0.04 0.29 -0.62 0.00 0.00 0.00 175.10 174.76 2j6k n GLU 7 N 5.30 0.61 -3.81 2.72 1.02 0.78 -1.25 120.64 126.02 2j6k n GLU 7 Ca 0.09 -0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 2j6k n GLU 7 Cb 0.48 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.42 2j6k n GLU 7 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2j6k s TYR 8 N -2.94 -0.14 0.23 -0.32 1.51 -0.93 -4.86 117.35 109.90 2j6k s TYR 8 Ca -0.06 0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 56.05 2j6k s TYR 8 Cb 0.09 0.02 -0.14 0.00 -0.11 0.00 0.00 41.96 41.82 2j6k s TYR 8 CO 0.61 -0.08 1.24 -0.25 -1.11 0.00 0.00 175.55 175.96 2j6k n ASP 9 N 3.23 1.98 -4.00 2.29 8.00 -1.26 -4.66 116.55 122.13 2j6k n ASP 9 Ca -0.15 1.15 -0.17 0.00 0.71 0.00 0.00 54.79 56.34 2j6k n ASP 9 Cb 0.58 -1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 2j6k n ASP 9 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2j6k s TYR 10 N -0.36 0.64 -0.20 1.24 6.14 -0.38 -5.00 117.35 119.43 2j6k s TYR 10 Ca 0.67 -0.15 -0.02 0.00 0.64 0.00 0.00 57.07 58.21 2j6k s TYR 10 Cb -0.73 -0.41 -0.00 0.00 0.42 0.00 0.00 41.96 41.25 2j6k s TYR 10 CO 0.53 -0.01 -0.09 -0.51 0.64 0.00 0.00 175.55 176.11 2j6k s ASP 11 N -0.31 4.01 0.27 4.32 -0.00 -1.26 -0.76 116.67 122.95 2j6k s ASP 11 Ca 0.02 -0.43 -0.30 0.00 -0.00 0.00 0.00 52.55 51.83 2j6k s ASP 11 Cb -0.03 -1.67 -0.13 0.00 -0.00 0.00 0.00 42.92 41.10 2j6k s ASP 11 CO -0.00 0.02 1.47 0.00 -0.00 0.00 0.00 175.17 176.65 2j6k n ALA 12 N 4.55 1.69 -0.04 5.23 0.00 -1.25 -4.91 120.51 125.78 2j6k n ALA 12 Ca -0.19 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 2j6k n ALA 12 Cb 0.51 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.52 2j6k n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j6k n VAL 13 N 1.82 0.49 -4.40 0.00 0.31 -1.26 -4.98 118.33 110.31 2j6k n VAL 13 Ca 0.10 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.79 2j6k n VAL 13 Cb 0.34 -0.37 -0.11 0.00 -0.91 0.00 0.00 33.84 32.79 2j6k n VAL 13 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2j6k s HIS 14 N -2.47 2.06 0.45 3.52 3.76 -1.26 -5.06 115.29 116.28 2j6k s HIS 14 Ca -0.05 -0.42 0.16 0.00 -0.15 0.00 0.00 55.06 54.60 2j6k s HIS 14 Cb 0.05 -0.97 1.10 0.00 1.11 0.00 0.00 32.58 33.87 2j6k s HIS 14 CO 0.47 0.49 1.98 -0.44 -0.85 0.00 0.00 174.74 176.39 2j6k h ASP 15 N 2.82 0.30 -0.14 1.40 3.45 -2.03 -0.99 116.42 121.24 2j6k h ASP 15 Ca -0.42 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.05 2j6k h ASP 15 Cb 1.23 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2j6k h ASP 15 CO 0.55 0.17 0.00 -0.90 -1.57 0.00 0.00 179.24 177.49 2j6k n ASP 16 N -4.46 1.17 -4.92 6.45 3.85 -1.26 -4.81 116.55 112.57 2j6k n ASP 16 Ca 0.10 -1.71 -0.28 0.00 -0.71 0.00 0.00 54.79 52.19 2j6k n ASP 16 Cb 0.43 -0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 2j6k n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2j6k s GLU 17 N -1.81 3.55 -0.09 0.11 2.02 -0.38 0.08 118.70 122.18 2j6k s GLU 17 Ca 0.27 -0.25 -0.09 0.00 0.02 0.00 0.00 54.97 54.93 2j6k s GLU 17 Cb 0.14 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2j6k s GLU 17 CO 0.21 0.39 0.20 -0.51 0.02 0.00 0.00 175.26 175.57 2j6k s LEU 18 N -3.22 4.41 -0.19 1.80 1.43 0.72 -4.70 118.68 118.93 2j6k s LEU 18 Ca 0.40 0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 2j6k s LEU 18 Cb -0.11 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2j6k s LEU 18 CO 0.28 0.39 0.54 -0.89 0.23 0.00 0.00 176.35 176.90 2j6k s THR 19 N -1.05 5.10 0.08 5.49 2.01 -1.26 -3.88 115.64 122.14 2j6k s THR 19 Ca 0.17 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2j6k s THR 19 Cb -0.13 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2j6k s THR 19 CO 0.06 0.18 -0.14 0.27 -0.69 0.00 0.00 174.62 174.30 2j6k s ILE 20 N 1.58 1.13 0.01 1.82 -4.36 0.06 -4.95 121.20 116.49 2j6k s ILE 20 Ca 0.25 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 2j6k s ILE 20 Cb -0.16 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 2j6k s ILE 20 CO 0.10 -0.30 -0.08 -0.13 0.24 0.00 0.00 174.94 174.77 2j6k s ARG 21 N -2.04 0.60 -0.08 0.37 1.81 -1.26 -1.25 118.95 117.10 2j6k s ARG 21 Ca 0.01 -0.39 -0.40 0.00 -1.72 0.00 0.00 55.73 53.22 2j6k s ARG 21 Cb -0.08 -0.54 -0.19 0.00 -0.45 0.00 0.00 34.95 33.68 2j6k s ARG 21 CO 0.02 0.14 1.25 0.28 -0.68 0.00 0.00 175.30 176.31 2j6k n VAL 22 N 2.54 0.02 0.00 3.52 0.31 -1.26 -1.24 118.33 122.22 2j6k n VAL 22 Ca -0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2j6k n VAL 22 Cb 0.57 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 2j6k n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j6k n GLY 23 N 2.27 3.31 3.78 2.92 0.00 -0.38 -5.00 105.19 112.08 2j6k n GLY 23 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2j6k n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j6k s GLU 24 N -0.88 3.99 -0.27 1.61 2.02 -0.37 -4.73 118.70 120.06 2j6k s GLU 24 Ca 0.00 1.65 -0.14 0.00 0.02 0.00 0.00 54.97 56.50 2j6k s GLU 24 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 2j6k s GLU 24 CO 0.00 -0.33 0.32 0.42 0.02 0.00 0.00 175.26 175.69 2j6k s ILE 25 N -1.59 5.21 -0.12 -1.63 -1.09 -1.26 -0.77 121.20 119.94 2j6k s ILE 25 Ca 0.60 0.46 -0.23 0.00 -2.23 0.00 0.00 60.65 59.26 2j6k s ILE 25 Cb -0.25 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 2j6k s ILE 25 CO 0.31 0.19 0.68 -0.63 -1.23 0.00 0.00 174.94 174.27 2j6k s ILE 26 N 1.94 5.02 -0.02 2.92 -1.09 0.40 -4.83 121.20 125.55 2j6k s ILE 26 Ca 0.13 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 59.88 2j6k s ILE 26 Cb -0.16 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2j6k s ILE 26 CO 0.10 0.18 0.17 0.00 -1.23 0.00 0.00 174.94 174.16 2j6k s ARG 27 N 1.31 3.42 -1.13 2.79 1.70 0.12 -1.08 118.95 126.08 2j6k s ARG 27 Ca 0.34 -0.31 -0.04 0.00 -0.47 0.00 0.00 55.73 55.25 2j6k s ARG 27 Cb -0.17 -3.09 -0.04 0.00 -0.57 0.00 0.00 34.95 31.09 2j6k s ARG 27 CO 0.14 0.68 0.93 -1.71 -1.08 0.00 0.00 175.30 174.26 2j6k n ASN 28 N 1.05 -4.46 -4.80 -2.89 4.05 -1.18 -1.17 115.26 105.86 2j6k n ASN 28 Ca -0.12 -0.70 -0.35 0.00 0.45 0.00 0.00 54.58 53.85 2j6k n ASN 28 Cb 0.53 -4.99 -0.06 0.00 1.23 0.00 0.00 39.78 36.48 2j6k n ASN 28 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2j6k s VAL 29 N -3.40 4.38 0.06 3.44 -7.23 -0.55 -4.49 120.40 112.61 2j6k s VAL 29 Ca 0.26 1.55 0.07 0.00 -1.81 0.00 0.00 61.98 62.04 2j6k s VAL 29 Cb -0.04 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 2j6k s VAL 29 CO 0.75 0.02 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.84 2j6k s LYS 30 N -2.37 1.10 0.42 4.82 1.02 0.10 -4.66 119.74 120.18 2j6k s LYS 30 Ca 0.52 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2j6k s LYS 30 Cb -0.15 -1.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.85 2j6k s LYS 30 CO 0.20 0.29 1.02 0.15 -0.92 0.00 0.00 175.35 176.09 2j6k s LYS 31 N -1.45 4.11 0.25 1.68 -0.14 -1.26 -1.45 119.74 121.48 2j6k s LYS 31 Ca 0.04 1.37 0.08 0.00 -1.36 0.00 0.00 55.97 56.10 2j6k s LYS 31 Cb -0.09 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 2j6k s LYS 31 CO 0.02 -0.17 0.07 -0.51 -0.76 0.00 0.00 175.35 174.01 2j6k s LEU 32 N -2.95 3.45 0.45 3.17 1.43 -1.19 -4.88 118.68 118.17 2j6k s LEU 32 Ca 0.61 -0.46 0.30 0.00 -1.03 0.00 0.00 54.13 53.55 2j6k s LEU 32 Cb -0.17 -1.99 1.12 0.00 0.03 0.00 0.00 46.19 45.17 2j6k s LEU 32 CO 0.22 -0.00 1.87 1.56 0.23 0.00 0.00 176.35 180.22 2j6k h GLN 33 N 1.85 0.00 -6.37 1.70 4.20 -1.97 -3.41 115.11 111.12 2j6k h GLN 33 Ca -0.46 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.71 2j6k h GLN 33 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2j6k h GLN 33 CO 0.60 0.00 0.91 -2.00 -0.67 0.00 0.00 178.83 177.68 2j6k s GLU 34 N -3.50 4.24 0.20 1.46 2.12 -1.26 -4.97 118.70 116.99 2j6k s GLU 34 Ca 0.03 2.07 -0.30 0.00 0.36 0.00 0.00 54.97 57.14 2j6k s GLU 34 Cb 0.09 -3.65 -0.08 0.00 0.26 0.00 0.00 34.13 30.75 2j6k s GLU 34 CO 0.53 -0.66 1.19 -2.00 -0.54 0.00 0.00 175.26 173.78 2j6k s GLU 35 N 2.75 4.50 0.00 4.30 2.12 -1.26 -3.02 118.70 128.09 2j6k s GLU 35 Ca 0.67 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.88 2j6k s GLU 35 Cb -0.33 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2j6k s GLU 35 CO 0.28 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 2j6k n GLY 36 N 2.04 0.42 3.27 -1.50 0.00 -1.26 -5.06 105.19 103.10 2j6k n GLY 36 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2j6k n GLY 36 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2j6k s TRP 37 N -2.12 2.05 0.20 1.61 0.52 -1.17 0.34 118.94 120.37 2j6k s TRP 37 Ca 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.81 2j6k s TRP 37 Cb 0.00 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.98 2j6k s TRP 37 CO 0.00 0.00 -0.16 -0.51 0.02 0.00 0.00 176.95 176.31 2j6k s LEU 38 N -0.71 2.53 -0.03 2.99 1.43 0.08 -3.14 118.68 121.82 2j6k s LEU 38 Ca 0.09 -0.99 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2j6k s LEU 38 Cb -0.09 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 2j6k s LEU 38 CO -0.00 -0.13 -0.20 -0.70 0.23 0.00 0.00 176.35 175.55 2j6k s GLU 39 N -3.45 1.81 0.15 1.70 2.12 -0.53 -1.05 118.70 119.44 2j6k s GLU 39 Ca 0.21 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.58 2j6k s GLU 39 Cb -0.02 -1.68 0.08 0.00 0.26 0.00 0.00 34.13 32.77 2j6k s GLU 39 CO 0.07 0.39 1.07 0.20 -0.54 0.00 0.00 175.26 176.45 2j6k s GLY 40 N -0.33 0.01 -0.16 -1.50 0.00 -0.66 0.03 107.32 104.70 2j6k s GLY 40 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 2j6k s GLY 40 CO 0.00 2.23 -0.07 1.85 0.00 0.00 0.00 173.10 177.11 2j6k s GLU 41 N -2.34 3.53 -0.04 2.90 2.12 -0.32 -1.32 118.70 123.24 2j6k s GLU 41 Ca 0.21 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.96 2j6k s GLU 41 Cb -0.02 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.55 2j6k s GLU 41 CO 0.04 0.16 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.70 2j6k s LEU 42 N 0.55 1.32 -1.38 2.70 2.96 0.22 -0.70 118.68 124.35 2j6k s LEU 42 Ca -0.05 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2j6k s LEU 42 Cb -0.15 -0.41 0.02 0.00 0.50 0.00 0.00 46.19 46.14 2j6k s LEU 42 CO 0.03 -0.06 0.64 -3.20 -1.32 0.00 0.00 176.35 172.44 2j6k n ASN 43 N 4.04 -1.35 0.00 3.68 5.15 -1.26 -1.59 115.26 123.94 2j6k n ASN 43 Ca -0.25 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.84 2j6k n ASN 43 Cb 0.51 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.12 2j6k n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j6k n GLY 44 N -1.72 0.47 3.13 8.20 0.00 -1.26 -5.01 105.19 108.99 2j6k n GLY 44 Ca -0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2j6k n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j6k s ARG 45 N -0.44 0.95 -0.10 1.61 3.52 -0.62 -5.15 118.95 118.72 2j6k s ARG 45 Ca 0.00 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2j6k s ARG 45 Cb 0.00 -0.94 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 2j6k s ARG 45 CO 0.00 0.24 0.05 1.03 -0.81 0.00 0.00 175.30 175.81 2j6k s ARG 46 N -0.92 3.16 0.20 5.12 0.52 -1.26 -0.61 118.95 125.16 2j6k s ARG 46 Ca 0.02 -0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 54.69 2j6k s ARG 46 Cb -0.07 -2.94 0.06 0.00 0.52 0.00 0.00 34.95 32.52 2j6k s ARG 46 CO 0.01 0.72 0.92 0.20 0.02 0.00 0.00 175.30 177.17 2j6k s GLY 47 N -0.91 -0.12 0.32 -3.53 0.00 -0.43 -4.92 107.32 97.73 2j6k s GLY 47 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.79 2j6k s GLY 47 CO 0.03 0.27 0.50 -3.16 0.00 0.00 0.00 173.10 170.74 2j6k s MET 48 N -3.18 3.48 0.07 2.90 0.23 0.11 -1.66 119.30 121.25 2j6k s MET 48 Ca 0.14 -0.42 -0.26 0.00 -1.03 0.00 0.00 55.69 54.12 2j6k s MET 48 Cb -0.03 -2.72 0.08 0.00 -1.53 0.00 0.00 34.83 30.63 2j6k s MET 48 CO 0.04 0.22 0.67 -0.59 -2.03 0.00 0.00 175.02 173.33 2j6k s PHE 49 N -2.23 -0.54 0.38 3.16 -0.12 -0.22 -0.20 117.98 118.21 2j6k s PHE 49 Ca 0.39 0.54 -0.25 0.00 -0.05 0.00 0.00 56.93 57.56 2j6k s PHE 49 Cb -0.10 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.72 2j6k s PHE 49 CO 0.34 -0.73 1.06 -2.14 -0.05 0.00 0.00 175.22 173.70 2j6k s PRO 50 N -2.88 4.24 0.24 1.99 0.02 -1.26 -0.74 135.00 136.61 2j6k s PRO 50 Ca -0.02 1.56 0.25 0.00 0.02 0.00 0.00 61.00 62.81 2j6k s PRO 50 Cb -0.01 -2.65 0.91 0.00 0.02 0.00 0.00 34.50 32.77 2j6k s PRO 50 CO -0.06 -0.08 1.75 -0.40 -0.33 0.00 0.00 177.00 177.88 2j6k n ASP 51 N 0.14 0.76 -0.46 2.53 5.68 0.15 -2.87 116.55 122.48 2j6k n ASP 51 Ca 0.04 0.63 0.11 0.00 -0.50 0.00 0.00 54.79 55.07 2j6k n ASP 51 Cb 0.49 -0.81 0.45 0.00 -1.14 0.00 0.00 41.12 40.11 2j6k n ASP 51 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2j6k n ASN 52 N -2.27 1.40 -0.43 -1.12 6.94 -1.26 -3.28 115.26 115.23 2j6k n ASN 52 Ca 0.04 -1.60 0.13 0.00 -0.02 0.00 0.00 54.58 53.12 2j6k n ASN 52 Cb 0.32 -0.07 0.30 0.00 -2.36 0.00 0.00 39.78 37.97 2j6k n ASN 52 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2j6k n PHE 53 N 0.13 0.00 -4.14 -2.53 3.01 -1.14 -4.89 117.46 107.90 2j6k n PHE 53 Ca 0.17 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.52 2j6k n PHE 53 Cb 0.30 -0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.62 2j6k n PHE 53 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2j6k s VAL 54 N -2.33 0.06 -0.01 -4.37 -7.23 -1.20 -0.15 120.40 105.15 2j6k s VAL 54 Ca 0.26 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2j6k s VAL 54 Cb 0.19 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2j6k s VAL 54 CO 0.47 -0.26 -0.00 -0.75 -0.31 0.00 0.00 175.10 174.25 2j6k s LYS 55 N -4.08 0.17 0.15 4.82 2.20 0.02 -4.86 119.74 118.16 2j6k s LYS 55 Ca 0.29 0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.61 2j6k s LYS 55 Cb 0.06 -0.28 -0.10 0.00 -1.51 0.00 0.00 37.83 36.00 2j6k s LYS 55 CO 0.06 -0.06 1.66 -2.00 -0.36 0.00 0.00 175.35 174.65 2j6k s GLU 56 N 0.54 4.18 -0.14 4.03 2.12 -1.26 -0.57 118.70 127.61 2j6k s GLU 56 Ca -0.05 2.46 -0.25 0.00 0.36 0.00 0.00 54.97 57.49 2j6k s GLU 56 Cb -0.08 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2j6k s GLU 56 CO -0.01 -0.70 0.79 0.42 -0.54 0.00 0.00 175.26 175.21 2j6k s ILE 57 N 1.64 4.94 -0.44 -3.70 1.01 -0.51 -4.89 121.20 119.25 2j6k s ILE 57 Ca 0.74 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.99 2j6k s ILE 57 Cb -0.45 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 37.94 2j6k s ILE 57 CO 0.32 0.10 0.61 0.29 0.00 0.00 0.00 174.94 176.26