#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwe s LYS 2 N 0.00 2.10 -0.16 -2.82 1.02 -1.26 -5.13 119.74 113.49 2jwe s LYS 2 Ca 0.00 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 2jwe s LYS 2 Cb 0.00 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2jwe s LYS 2 CO 0.00 0.50 -0.11 0.08 -0.92 0.00 0.00 175.35 174.90 2jwe s VAL 3 N -0.49 3.11 -0.19 3.17 1.01 -1.26 -5.10 120.40 120.66 2jwe s VAL 3 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2jwe s VAL 3 Cb -0.10 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.98 2jwe s VAL 3 CO -0.00 0.50 -0.04 -0.89 0.00 0.00 0.00 175.10 174.67 2jwe s THR 4 N 0.73 1.14 0.21 3.92 2.01 -1.26 -5.13 115.64 117.26 2jwe s THR 4 Ca -0.05 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.22 2jwe s THR 4 Cb -0.15 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2jwe s THR 4 CO 0.02 0.00 0.05 -0.76 -0.69 0.00 0.00 174.62 173.24 2jwe s LEU 5 N 1.60 3.45 -0.32 4.42 1.43 -1.26 -5.11 118.68 122.89 2jwe s LEU 5 Ca -0.02 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2jwe s LEU 5 Cb -0.17 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.10 2jwe s LEU 5 CO -0.07 0.04 0.06 -0.69 0.23 0.00 0.00 176.35 175.92 2jwe s VAL 6 N -1.93 1.62 0.38 -1.59 1.01 -1.26 -5.11 120.40 113.51 2jwe s VAL 6 Ca 0.30 -1.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 2jwe s VAL 6 Cb -0.09 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 2jwe s VAL 6 CO 0.21 -0.57 1.17 -0.75 0.00 0.00 0.00 175.10 175.16 2jwe s LYS 7 N 1.25 4.17 0.00 2.72 2.20 -1.26 -5.05 119.74 123.77 2jwe s LYS 7 Ca 0.09 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2jwe s LYS 7 Cb -0.18 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2jwe s LYS 7 CO -0.15 -0.23 0.00 -1.13 -0.36 0.00 0.00 175.35 173.48 2jwe n SER 8 N 0.31 0.00 0.42 1.43 3.41 -1.25 -5.04 113.62 112.89 2jwe n SER 8 Ca 0.03 -0.97 -0.17 0.00 -0.26 0.00 0.00 58.87 57.50 2jwe n SER 8 Cb 0.46 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 2jwe n SER 8 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jwe h ARG 9 N 0.00 -1.04 -2.97 4.33 -0.00 -1.97 -3.48 114.38 109.25 2jwe h ARG 9 Ca 0.00 0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.63 2jwe h ARG 9 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 29.97 30.16 2jwe h ARG 9 CO 0.00 -0.69 0.24 0.15 0.00 0.00 0.00 179.97 179.67 2jwe s LYS 10 N -5.06 1.77 -1.89 0.04 1.02 -1.26 -4.95 119.74 109.41 2jwe s LYS 10 Ca -0.16 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2jwe s LYS 10 Cb 0.02 0.60 0.00 0.00 -0.52 0.00 0.00 37.83 37.93 2jwe s LYS 10 CO 0.47 -0.81 0.00 0.09 -0.92 0.00 0.00 175.35 174.18 2jwe n ASN 11 N -0.46 -5.72 -2.74 2.83 4.13 -1.26 -4.89 115.26 107.14 2jwe n ASN 11 Ca -0.04 0.14 -0.06 0.00 1.68 0.00 0.00 54.58 56.30 2jwe n ASN 11 Cb 0.59 -4.83 0.04 0.00 -1.54 0.00 0.00 39.78 34.04 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jwe n GLU 12 N -2.79 0.59 -2.13 3.52 -0.58 -1.26 -5.13 120.64 112.86 2jwe n GLU 12 Ca -0.23 -1.72 -0.28 0.00 -0.42 0.00 0.00 57.16 54.51 2jwe n GLU 12 Cb 0.68 -1.28 0.16 0.00 -0.57 0.00 0.00 31.44 30.44 2jwe n GLU 12 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2jwe s GLU 13 N 0.74 0.97 0.29 3.49 -1.05 -1.26 -3.84 118.70 118.04 2jwe s GLU 13 Ca 0.30 -0.62 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 2jwe s GLU 13 Cb 0.13 -2.00 0.45 0.00 -0.44 0.00 0.00 34.13 32.27 2jwe s GLU 13 CO -0.15 -2.11 1.74 1.88 0.95 0.00 0.00 175.26 177.57 2jwe h TYR 14 N -1.30 0.51 -6.01 4.83 0.05 -2.01 -3.47 116.97 109.57 2jwe h TYR 14 Ca -0.42 -0.10 -0.42 0.00 0.05 0.00 0.00 58.73 57.84 2jwe h TYR 14 Cb 1.24 -0.13 0.07 0.00 1.01 0.00 0.00 36.73 38.93 2jwe h TYR 14 CO -0.85 0.66 -0.72 0.41 -1.05 0.00 0.00 178.16 176.61 2jwe n GLY 15 N -0.44 -0.50 3.36 3.88 0.00 -1.26 -4.99 105.19 105.24 2jwe n GLY 15 Ca -0.00 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2jwe n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jwe s LEU 16 N -7.21 2.41 -0.32 0.99 0.05 -1.26 -5.10 118.68 108.24 2jwe s LEU 16 Ca 0.55 -0.37 -0.20 0.00 0.05 0.00 0.00 54.13 54.16 2jwe s LEU 16 Cb -0.26 -1.48 -0.01 0.00 -2.05 0.00 0.00 46.19 42.40 2jwe s LEU 16 CO 0.77 0.27 0.61 -0.13 -0.55 0.00 0.00 176.35 177.32 2jwe s ARG 17 N -0.30 3.81 -0.11 1.48 1.81 -1.26 -5.06 118.95 119.33 2jwe s ARG 17 Ca 0.01 0.18 -0.04 0.00 -1.72 0.00 0.00 55.73 54.16 2jwe s ARG 17 Cb -0.13 -3.76 -0.04 0.00 -0.45 0.00 0.00 34.95 30.58 2jwe s ARG 17 CO 0.03 -0.62 0.04 -1.17 -0.68 0.00 0.00 175.30 172.90 2jwe s LEU 18 N 2.60 3.79 0.19 2.53 1.98 -1.26 -5.11 118.68 123.40 2jwe s LEU 18 Ca 0.24 0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 51.67 2jwe s LEU 18 Cb -0.15 -1.90 -0.04 0.00 0.66 0.00 0.00 46.19 44.76 2jwe s LEU 18 CO 0.13 0.34 0.11 0.00 -1.89 0.00 0.00 176.35 175.04 2jwe s ALA 19 N -0.63 1.13 0.11 5.97 0.00 -1.26 -5.10 121.76 121.97 2jwe s ALA 19 Ca 0.11 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.49 2jwe s ALA 19 Cb -0.12 1.26 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 2jwe s ALA 19 CO 0.02 -0.56 -0.20 -1.54 0.00 0.00 0.00 175.76 173.48 2jwe s SER 20 N -3.14 2.51 0.49 0.00 1.04 -1.26 -4.96 113.70 108.37 2jwe s SER 20 Ca 0.36 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2jwe s SER 20 Cb 0.07 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2jwe s SER 20 CO 0.10 0.04 0.16 -1.00 0.98 0.00 0.00 173.24 173.53 2jwe s HIS 21 N -1.23 2.00 -0.04 5.02 3.76 -1.26 -0.54 115.29 122.99 2jwe s HIS 21 Ca 0.07 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2jwe s HIS 21 Cb -0.10 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.81 2jwe s HIS 21 CO 0.04 0.02 -0.08 0.42 -0.85 0.00 0.00 174.74 174.29 2jwe s ILE 22 N -2.77 0.74 0.33 0.60 1.09 -1.26 -4.88 121.20 115.05 2jwe s ILE 22 Ca 0.24 -0.29 0.07 0.00 -1.10 0.00 0.00 60.65 59.57 2jwe s ILE 22 Cb 0.02 -0.70 -0.03 0.00 -1.06 0.00 0.00 42.46 40.69 2jwe s ILE 22 CO 0.14 0.25 0.27 0.72 -0.10 0.00 0.00 174.94 176.22 2jwe s PHE 23 N 0.53 1.75 -0.33 3.97 -0.71 -1.26 -0.45 117.98 121.47 2jwe s PHE 23 Ca -0.08 -1.65 -0.11 0.00 -1.04 0.00 0.00 56.93 54.05 2jwe s PHE 23 Cb -0.12 -0.73 -0.01 0.00 -1.21 0.00 0.00 43.02 40.96 2jwe s PHE 23 CO 0.01 -0.85 0.18 0.08 -1.34 0.00 0.00 175.22 173.30 2jwe s VAL 24 N -3.46 4.79 0.19 -2.49 1.01 0.12 -4.82 120.40 115.75 2jwe s VAL 24 Ca 0.40 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2jwe s VAL 24 Cb 0.02 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.00 2jwe s VAL 24 CO 0.27 0.01 1.65 0.50 0.00 0.00 0.00 175.10 177.54 2jwe h LYS 25 N 8.40 1.07 -1.44 2.72 1.63 -1.91 0.06 116.57 127.09 2jwe h LYS 25 Ca -0.31 -0.33 0.37 0.00 -0.85 0.00 0.00 60.65 59.52 2jwe h LYS 25 Cb 1.14 -0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 32.56 2jwe h LYS 25 CO 0.63 1.04 0.93 -1.83 -3.45 0.00 0.00 179.45 176.76 2jwe s GLU 26 N -5.03 0.19 -0.02 1.90 -1.05 -1.26 -4.54 118.70 108.90 2jwe s GLU 26 Ca -0.12 -0.11 0.03 0.00 -0.15 0.00 0.00 54.97 54.63 2jwe s GLU 26 Cb 0.14 0.06 -0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2jwe s GLU 26 CO 0.86 -0.09 -0.12 0.42 0.95 0.00 0.00 175.26 177.28 2jwe s ILE 27 N -2.14 0.97 0.35 1.83 1.09 -1.26 -4.96 121.20 117.08 2jwe s ILE 27 Ca 0.19 -0.50 -0.12 0.00 -1.10 0.00 0.00 60.65 59.13 2jwe s ILE 27 Cb 0.05 -0.83 -0.07 0.00 -1.06 0.00 0.00 42.46 40.54 2jwe s ILE 27 CO -0.04 0.28 0.72 -0.55 -0.10 0.00 0.00 174.94 175.25 2jwe s SER 28 N -0.08 6.63 0.59 3.58 0.15 -1.26 -5.07 113.70 118.23 2jwe s SER 28 Ca 0.01 1.14 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 2jwe s SER 28 Cb -0.07 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2jwe s SER 28 CO 0.00 -0.27 1.02 -1.58 1.20 0.00 0.00 173.24 173.61 2jwe s GLN 29 N -3.38 3.67 -1.71 5.44 0.74 -1.26 -3.86 119.66 119.30 2jwe s GLN 29 Ca 0.51 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.76 2jwe s GLN 29 Cb -0.10 -2.09 0.00 0.00 1.10 0.00 0.00 33.01 31.91 2jwe s GLN 29 CO 0.25 -0.51 0.00 -0.25 -0.55 0.00 0.00 175.29 174.23 2jwe n ASP 30 N -2.38 -5.66 -4.75 6.67 9.92 -1.26 -4.99 116.55 114.10 2jwe n ASP 30 Ca 0.06 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.05 2jwe n ASP 30 Cb 0.54 -4.70 -0.07 0.00 -0.64 0.00 0.00 41.12 36.25 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jwe s SER 31 N -2.13 4.27 0.21 -2.24 0.01 -1.25 -5.02 113.70 107.55 2jwe s SER 31 Ca 0.00 -1.32 -0.09 0.00 1.31 0.00 0.00 55.95 55.85 2jwe s SER 31 Cb 0.00 -0.04 0.23 0.00 0.21 0.00 0.00 66.02 66.41 2jwe s SER 31 CO 0.00 -0.70 1.83 -0.07 0.41 0.00 0.00 173.24 174.70 2jwe h LEU 32 N 1.36 0.64 -1.19 2.44 3.38 -1.94 -1.87 115.31 118.13 2jwe h LEU 32 Ca -0.42 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2jwe h LEU 32 Cb 1.28 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2jwe h LEU 32 CO 0.71 0.43 0.55 0.00 0.09 0.00 0.00 178.44 180.22 2jwe h ALA 33 N 1.33 1.42 -0.53 1.53 0.00 -1.96 0.88 119.26 121.93 2jwe h ALA 33 Ca 0.30 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jwe h ALA 33 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2jwe h ALA 33 CO -0.15 0.53 0.11 0.00 0.00 0.00 0.00 179.25 179.74 2jwe h ALA 34 N 1.49 0.70 -0.25 0.00 0.00 -1.58 0.29 119.26 119.90 2jwe h ALA 34 Ca 0.31 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2jwe h ALA 34 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jwe h ALA 34 CO -0.07 0.42 -0.50 0.00 0.00 0.00 0.00 179.25 179.10 2jwe h ARG 35 N 0.75 0.69 -0.27 0.00 3.08 -0.92 -3.20 114.38 114.51 2jwe h ARG 35 Ca 0.16 -0.41 -0.15 0.00 0.07 0.00 0.00 59.98 59.65 2jwe h ARG 35 Cb 0.37 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2jwe h ARG 35 CO 0.01 1.03 -0.42 0.22 -1.07 0.00 0.00 179.97 179.73 2jwe h ASP 36 N 0.54 0.84 -3.48 7.04 3.58 -0.67 -3.48 116.42 120.80 2jwe h ASP 36 Ca 0.02 -0.52 -0.30 0.00 0.42 0.00 0.00 57.03 56.66 2jwe h ASP 36 Cb 1.06 -0.24 0.05 0.00 1.72 0.00 0.00 39.33 41.92 2jwe h ASP 36 CO 0.10 1.20 -0.45 0.61 -2.88 0.00 0.00 179.24 177.82 2jwe n GLY 37 N 0.31 -0.20 0.06 -0.78 0.00 0.10 -4.92 105.19 99.76 2jwe n GLY 37 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 2jwe n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jwe n ASN 38 N -1.41 2.88 -4.76 1.61 3.02 -1.26 -5.00 115.26 110.35 2jwe n ASN 38 Ca -0.08 -0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.03 2jwe n ASN 38 Cb 0.59 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.80 2jwe n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwe s ILE 39 N -2.25 4.61 0.11 2.41 1.01 -1.26 -5.07 121.20 120.76 2jwe s ILE 39 Ca -0.13 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.23 2jwe s ILE 39 Cb 0.04 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2jwe s ILE 39 CO 0.33 0.42 -0.14 -1.10 0.00 0.00 0.00 174.94 174.45 2jwe s GLN 40 N -0.42 0.98 -0.08 2.79 -0.21 -1.26 -4.97 119.66 116.49 2jwe s GLN 40 Ca 0.38 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 2jwe s GLN 40 Cb -0.21 -0.86 -0.06 0.00 1.00 0.00 0.00 33.01 32.88 2jwe s GLN 40 CO 0.24 0.17 1.74 -2.00 -2.12 0.00 0.00 175.29 173.31 2jwe s GLU 41 N -2.53 4.05 0.00 2.91 -6.30 -1.26 -1.91 118.70 113.65 2jwe s GLU 41 Ca 0.07 2.17 0.00 0.00 -2.50 0.00 0.00 54.97 54.70 2jwe s GLU 41 Cb -0.06 -4.05 0.00 0.00 0.00 0.00 0.00 34.13 30.03 2jwe s GLU 41 CO 0.03 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.70 2jwe n GLY 42 N 4.39 2.97 3.68 -1.50 0.00 0.01 -5.03 105.19 109.71 2jwe n GLY 42 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 2jwe n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jwe n ASP 43 N 0.00 2.79 -4.62 1.61 9.92 -0.80 -4.56 116.55 120.88 2jwe n ASP 43 Ca 0.00 1.17 -0.38 0.00 -0.53 0.00 0.00 54.79 55.05 2jwe n ASP 43 Cb 0.00 -1.46 -0.10 0.00 -0.64 0.00 0.00 41.12 38.93 2jwe n ASP 43 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jwe s VAL 44 N -0.50 5.28 -0.11 2.53 1.01 -1.26 0.11 120.40 127.46 2jwe s VAL 44 Ca 0.62 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 2jwe s VAL 44 Cb -0.61 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2jwe s VAL 44 CO 0.55 0.26 0.27 -0.69 0.00 0.00 0.00 175.10 175.49 2jwe s VAL 45 N 1.58 5.29 -0.25 2.92 1.01 0.40 -2.06 120.40 129.29 2jwe s VAL 45 Ca 0.10 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 2jwe s VAL 45 Cb -0.15 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.47 2jwe s VAL 45 CO 0.08 0.49 -0.17 -0.11 0.00 0.00 0.00 175.10 175.40 2jwe n LEU 46 N 2.76 2.88 -4.13 3.92 7.94 0.23 -4.12 117.00 126.47 2jwe n LEU 46 Ca -0.15 -0.07 -0.14 0.00 -1.11 0.00 0.00 56.01 54.55 2jwe n LEU 46 Cb 0.53 -0.93 -0.11 0.00 0.53 0.00 0.00 43.42 43.44 2jwe n LEU 46 CO 0.37 0.91 -0.41 -0.54 -1.11 0.00 0.00 177.39 176.60 2jwe s LYS 47 N -2.52 0.71 -0.08 1.96 1.02 -1.21 -2.43 119.74 117.18 2jwe s LYS 47 Ca -0.34 -1.01 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 2jwe s LYS 47 Cb 0.09 -0.41 0.04 0.00 -0.52 0.00 0.00 37.83 37.03 2jwe s LYS 47 CO 0.61 0.06 0.11 0.42 -0.92 0.00 0.00 175.35 175.64 2jwe s ILE 48 N -2.09 -0.18 -1.41 2.17 1.01 0.21 -1.02 121.20 119.89 2jwe s ILE 48 Ca -0.00 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 2jwe s ILE 48 Cb -0.05 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.15 2jwe s ILE 48 CO -0.00 0.09 1.09 -3.20 0.00 0.00 0.00 174.94 172.91 2jwe n ASN 49 N 5.31 -6.09 -0.61 3.58 2.85 0.15 -1.83 115.26 118.62 2jwe n ASN 49 Ca -0.04 -0.55 -0.06 0.00 -0.11 0.00 0.00 54.58 53.81 2jwe n ASN 49 Cb 0.50 -4.82 -0.01 0.00 1.24 0.00 0.00 39.78 36.69 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jwe n GLY 50 N -1.91 0.46 2.83 8.20 0.00 -1.26 -4.95 105.19 108.57 2jwe n GLY 50 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 2jwe n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s THR 51 N -2.28 -0.07 0.25 2.61 2.01 -0.76 -5.14 115.64 112.27 2jwe s THR 51 Ca 0.00 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2jwe s THR 51 Cb 0.00 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.26 2jwe s THR 51 CO 0.00 0.09 1.22 -0.69 -0.69 0.00 0.00 174.62 174.55 2jwe s VAL 52 N 1.21 3.26 -0.38 3.82 1.01 -1.26 0.65 120.40 128.71 2jwe s VAL 52 Ca -0.08 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.11 2jwe s VAL 52 Cb -0.12 -3.74 0.54 0.00 0.00 0.00 0.00 36.38 33.06 2jwe s VAL 52 CO -0.04 0.23 1.64 0.35 0.00 0.00 0.00 175.10 177.27 2jwe n THR 53 N 1.74 2.87 -3.40 3.92 -2.24 -1.02 -4.89 114.28 111.26 2jwe n THR 53 Ca 0.02 -2.71 -0.33 0.00 -2.27 0.00 0.00 64.05 58.76 2jwe n THR 53 Cb 0.44 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 2jwe n THR 53 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jwe s GLU 54 N -3.38 3.84 -1.13 -0.78 2.12 -1.26 -4.02 118.70 114.09 2jwe s GLU 54 Ca 0.51 0.33 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2jwe s GLU 54 Cb 0.44 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 32.13 2jwe s GLU 54 CO 0.03 0.35 0.00 0.27 -0.54 0.00 0.00 175.26 175.36 2jwe n ASN 55 N 0.06 -3.28 -4.88 -1.70 0.23 0.29 -4.93 115.26 101.05 2jwe n ASN 55 Ca -0.01 0.26 -0.28 0.00 -0.53 0.00 0.00 54.58 54.03 2jwe n ASN 55 Cb 0.52 -2.96 -0.04 0.00 -2.08 0.00 0.00 39.78 35.22 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2jwe s MET 56 N -2.79 3.24 0.53 -3.83 1.75 -1.26 -4.88 119.30 112.06 2jwe s MET 56 Ca 0.00 -0.64 -0.22 0.00 -1.25 0.00 0.00 55.69 53.58 2jwe s MET 56 Cb 0.00 -2.87 -0.05 0.00 2.84 0.00 0.00 34.83 34.75 2jwe s MET 56 CO 0.00 0.54 1.36 0.45 -0.65 0.00 0.00 175.02 176.71 2jwe s SER 57 N -2.95 5.36 0.44 1.11 0.15 -1.26 -4.88 113.70 111.67 2jwe s SER 57 Ca 0.33 2.76 0.17 0.00 0.70 0.00 0.00 55.95 59.91 2jwe s SER 57 Cb -0.11 -2.64 1.10 0.00 -1.71 0.00 0.00 66.02 62.66 2jwe s SER 57 CO 0.26 -1.51 1.94 0.25 1.20 0.00 0.00 173.24 175.38 2jwe h LEU 58 N 1.56 0.33 -0.54 3.45 5.85 -1.98 0.11 115.31 124.10 2jwe h LEU 58 Ca -0.51 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.10 2jwe h LEU 58 Cb 1.29 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2jwe h LEU 58 CO 0.58 0.18 -0.20 0.74 -0.34 0.00 0.00 178.44 179.40 2jwe h THR 59 N 0.36 1.27 -0.60 1.05 2.02 -2.01 -3.09 112.91 111.91 2jwe h THR 59 Ca 0.34 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.26 2jwe h THR 59 Cb 0.82 1.10 -0.08 0.00 -1.74 0.00 0.00 68.15 68.26 2jwe h THR 59 CO -0.09 0.47 0.21 -0.78 0.37 0.00 0.00 175.52 175.69 2jwe h ASP 60 N 0.85 0.18 -0.93 4.18 1.82 -1.32 -0.71 116.42 120.48 2jwe h ASP 60 Ca 0.11 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.91 2jwe h ASP 60 Cb 0.77 0.08 -0.07 0.00 0.68 0.00 0.00 39.33 40.79 2jwe h ASP 60 CO 0.06 0.10 0.59 0.00 -1.61 0.00 0.00 179.24 178.39 2jwe h ALA 61 N 1.43 1.30 -0.69 -0.78 0.00 -1.44 -1.35 119.26 117.73 2jwe h ALA 61 Ca 0.31 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2jwe h ALA 61 Cb 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jwe h ALA 61 CO -0.33 0.34 0.15 0.87 0.00 0.00 0.00 179.25 180.28 2jwe h LYS 62 N 1.06 1.13 -0.88 0.00 1.57 -1.16 -2.81 116.57 115.47 2jwe h LYS 62 Ca 0.41 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2jwe h LYS 62 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2jwe h LYS 62 CO -0.18 1.01 0.47 1.15 -0.57 0.00 0.00 179.45 181.32 2jwe h THR 63 N 1.06 1.26 -0.71 -0.16 2.02 -0.21 -2.00 112.91 114.17 2jwe h THR 63 Ca 0.21 -0.67 0.11 0.00 0.77 0.00 0.00 66.41 66.84 2jwe h THR 63 Cb 0.40 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2jwe h THR 63 CO 0.01 0.30 0.47 -0.07 0.37 0.00 0.00 175.52 176.59 2jwe h LEU 64 N 1.24 0.46 -0.91 2.58 3.38 -1.04 0.16 115.31 121.18 2jwe h LEU 64 Ca 0.31 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 2jwe h LEU 64 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jwe h LEU 64 CO -0.05 0.27 -0.30 0.40 0.09 0.00 0.00 178.44 178.85 2jwe h ILE 65 N 0.51 1.28 0.02 1.22 1.08 -1.32 -2.82 117.51 117.48 2jwe h ILE 65 Ca 0.33 -1.36 -0.27 0.00 -0.39 0.00 0.00 64.86 63.18 2jwe h ILE 65 Cb 0.61 1.45 0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2jwe h ILE 65 CO -0.11 0.42 -1.05 -0.33 -0.69 0.00 0.00 178.15 176.39 2jwe h GLU 66 N 0.38 0.67 -0.08 2.37 4.39 -0.67 -3.22 114.58 118.43 2jwe h GLU 66 Ca 0.05 -0.75 0.02 0.00 0.34 0.00 0.00 59.36 59.02 2jwe h GLU 66 Cb 0.73 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2jwe h GLU 66 CO 0.06 1.33 0.07 -0.09 -1.16 0.00 0.00 179.01 179.21 2jwe h ARG 67 N 0.34 0.00 -5.75 2.33 9.65 -0.76 -3.41 114.38 116.78 2jwe h ARG 67 Ca -0.14 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.24 2jwe h ARG 67 Cb 1.71 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.30 2jwe h ARG 67 CO 0.21 0.00 1.59 0.45 2.80 0.00 0.00 179.97 185.01 2jwe s SER 68 N -6.70 4.79 0.34 -3.80 0.15 -1.07 -4.82 113.70 102.58 2jwe s SER 68 Ca -0.05 1.37 0.10 0.00 0.70 0.00 0.00 55.95 58.07 2jwe s SER 68 Cb 0.17 -2.50 0.61 0.00 -1.71 0.00 0.00 66.02 62.59 2jwe s SER 68 CO 0.65 -2.56 1.79 0.07 1.20 0.00 0.00 173.24 174.38 2jwe h LYS 69 N 18.03 0.14 0.00 5.44 -0.00 -1.90 -3.46 116.57 134.82 2jwe h LYS 69 Ca -0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 2jwe h LYS 69 Cb 1.26 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2jwe h LYS 69 CO 1.09 0.48 0.00 0.41 -0.00 0.00 0.00 179.45 181.42 2jwe n GLY 70 N -0.40 0.54 3.78 0.07 0.00 -1.26 -5.13 105.19 102.78 2jwe n GLY 70 Ca -0.01 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2jwe n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwe s LYS 71 N 0.60 3.67 -0.09 1.61 0.00 -1.26 -5.05 119.74 119.22 2jwe s LYS 71 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 55.97 57.55 2jwe s LYS 71 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 37.83 35.66 2jwe s LYS 71 CO 0.00 -0.58 -0.13 -1.17 0.00 0.00 0.00 175.35 173.47 2jwe s LEU 72 N -3.39 1.63 -0.38 2.77 0.20 -1.26 -4.94 118.68 113.31 2jwe s LEU 72 Ca 0.67 -0.36 -0.08 0.00 0.69 0.00 0.00 54.13 55.05 2jwe s LEU 72 Cb -0.23 -0.96 0.06 0.00 -0.43 0.00 0.00 46.19 44.63 2jwe s LEU 72 CO 0.27 0.01 0.19 -0.54 -0.29 0.00 0.00 176.35 175.99 2jwe s LYS 73 N 0.94 2.58 -0.19 1.98 1.02 -1.26 -4.92 119.74 119.90 2jwe s LYS 73 Ca -0.08 -1.35 -0.03 0.00 0.02 0.00 0.00 55.97 54.53 2jwe s LYS 73 Cb -0.15 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2jwe s LYS 73 CO -0.00 -0.83 -0.08 -1.64 -0.92 0.00 0.00 175.35 171.88 2jwe s MET 74 N 1.41 3.36 -0.15 1.68 -1.94 -1.26 0.34 119.30 122.73 2jwe s MET 74 Ca 0.02 -0.65 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 2jwe s MET 74 Cb -0.21 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 2jwe s MET 74 CO 0.02 -0.08 0.20 0.08 -0.01 0.00 0.00 175.02 175.23 2jwe s VAL 75 N 1.15 5.38 0.36 -6.03 1.01 -0.19 -4.97 120.40 117.11 2jwe s VAL 75 Ca 0.02 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.42 2jwe s VAL 75 Cb -0.14 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2jwe s VAL 75 CO -0.02 0.48 -0.04 0.68 0.00 0.00 0.00 175.10 176.20 2jwe s VAL 76 N -0.07 2.25 0.39 2.92 -7.23 -1.26 0.77 120.40 118.17 2jwe s VAL 76 Ca 0.13 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2jwe s VAL 76 Cb -0.12 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 2jwe s VAL 76 CO 0.02 -0.14 0.61 -1.10 -0.31 0.00 0.00 175.10 174.18 2jwe s GLN 77 N -3.67 3.42 0.31 4.82 -0.21 -0.87 -4.88 119.66 118.58 2jwe s GLN 77 Ca 0.34 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.44 2jwe s GLN 77 Cb 0.04 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2jwe s GLN 77 CO 0.18 0.02 0.00 0.54 -2.12 0.00 0.00 175.29 173.91 2jwe n ARG 78 N -1.91 -2.58 -3.19 2.91 5.12 -1.26 -4.83 116.66 110.91 2jwe n ARG 78 Ca -0.03 1.72 -0.17 0.00 -1.93 0.00 0.00 57.85 57.44 2jwe n ARG 78 Cb 0.56 -3.14 -0.06 0.00 -1.16 0.00 0.00 32.46 28.67 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jwe s ASP 79 N -6.57 0.45 -0.24 0.55 1.01 -1.26 -5.12 116.67 105.49 2jwe s ASP 79 Ca 0.00 -2.28 -0.21 0.00 0.71 0.00 0.00 52.55 50.76 2jwe s ASP 79 Cb 0.00 0.54 -0.02 0.00 1.01 0.00 0.00 42.92 44.46 2jwe s ASP 79 CO 0.00 -0.15 0.68 -1.83 0.21 0.00 0.00 175.17 174.07 2jwe s GLU 80 N 0.65 4.14 0.25 8.23 -1.05 -1.26 -4.81 118.70 124.85 2jwe s GLU 80 Ca 0.28 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 2jwe s GLU 80 Cb -0.02 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.03 2jwe s GLU 80 CO -0.11 -0.42 0.00 1.28 0.95 0.00 0.00 175.26 176.97 2jwe n LEU 81 N 5.70 -1.28 0.00 1.83 4.77 -1.26 -5.22 117.00 121.54 2jwe n LEU 81 Ca 0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2jwe n LEU 81 Cb 0.49 1.35 0.00 0.00 -2.33 0.00 0.00 43.42 42.93 2jwe n LEU 81 CO 0.44 -0.38 0.00 1.21 -1.33 0.00 0.00 177.39 177.33