#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 1.31 -0.12 -2.82 -2.85 -1.26 -5.14 119.74 108.86 2jwe s LYS 2 Ca 0.00 -0.30 0.01 0.00 -1.00 0.00 0.00 55.97 54.68 2jwe s LYS 2 Cb 0.00 -1.14 -0.02 0.00 -2.06 0.00 0.00 37.83 34.61 2jwe s LYS 2 CO 0.00 0.01 -0.14 0.08 0.10 0.00 0.00 175.35 175.40 2jwe s VAL 3 N 0.66 2.97 -0.10 1.79 1.01 -1.26 -5.11 120.40 120.35 2jwe s VAL 3 Ca -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2jwe s VAL 3 Cb -0.14 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2jwe s VAL 3 CO 0.02 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.67 2jwe s THR 4 N 0.20 1.09 0.28 3.92 2.01 -1.26 -5.14 115.64 116.74 2jwe s THR 4 Ca -0.09 -0.37 0.11 0.00 0.31 0.00 0.00 61.69 61.65 2jwe s THR 4 Cb -0.15 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2jwe s THR 4 CO 0.05 0.37 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.47 2jwe s LEU 5 N 1.32 2.84 -0.34 4.42 2.01 -1.26 -5.12 118.68 122.55 2jwe s LEU 5 Ca -0.02 -0.89 0.01 0.00 0.01 0.00 0.00 54.13 53.25 2jwe s LEU 5 Cb -0.14 -1.34 0.10 0.00 0.01 0.00 0.00 46.19 44.83 2jwe s LEU 5 CO -0.04 0.01 0.10 -0.69 1.01 0.00 0.00 176.35 176.74 2jwe s VAL 6 N -2.44 1.49 0.31 -1.59 1.01 -1.26 -5.11 120.40 112.81 2jwe s VAL 6 Ca 0.31 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 2jwe s VAL 6 Cb -0.05 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 2jwe s VAL 6 CO 0.17 -0.67 1.37 -0.75 0.00 0.00 0.00 175.10 175.22 2jwe s LYS 7 N 1.18 4.30 0.00 2.72 2.20 -1.26 -5.03 119.74 123.85 2jwe s LYS 7 Ca 0.11 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 2jwe s LYS 7 Cb -0.19 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2jwe s LYS 7 CO -0.16 -0.31 0.00 0.43 -0.36 0.00 0.00 175.35 174.96 2jwe n SER 8 N 1.25 1.65 -2.01 1.43 7.64 -1.26 -5.04 113.62 117.29 2jwe n SER 8 Ca 0.02 -0.89 -0.22 0.00 1.01 0.00 0.00 58.87 58.80 2jwe n SER 8 Cb 0.41 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2jwe n SER 8 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jwe n ARG 9 N 0.00 2.07 0.00 1.43 1.85 -1.26 -4.27 116.66 116.49 2jwe n ARG 9 Ca 0.00 -2.20 -0.01 0.00 -1.00 0.00 0.00 57.85 54.64 2jwe n ARG 9 Cb 0.00 -1.86 -0.00 0.00 -1.05 0.00 0.00 32.46 29.54 2jwe n ARG 9 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2jwe h LYS 10 N 1.41 -0.03 0.00 2.89 1.63 -1.96 -3.45 116.57 117.06 2jwe h LYS 10 Ca 0.42 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.18 2jwe h LYS 10 Cb 1.27 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.83 2jwe h LYS 10 CO 1.00 -0.02 -0.46 0.09 -3.45 0.00 0.00 179.45 176.61 2jwe n ASN 11 N -2.78 0.09 -2.80 4.20 3.02 -1.26 -5.00 115.26 110.74 2jwe n ASN 11 Ca -0.00 -1.76 -0.16 0.00 -0.03 0.00 0.00 54.58 52.63 2jwe n ASN 11 Cb 0.01 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jwe n GLU 12 N 0.09 -2.82 -3.76 3.52 1.02 -1.26 -4.93 120.64 112.50 2jwe n GLU 12 Ca -0.01 0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 57.55 2jwe n GLU 12 Cb 0.73 -5.20 -0.12 0.00 -0.02 0.00 0.00 31.44 26.84 2jwe n GLU 12 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2jwe s GLU 13 N -5.41 0.31 0.37 3.49 2.02 -1.26 -5.04 118.70 113.19 2jwe s GLU 13 Ca 0.16 0.45 0.19 0.00 0.02 0.00 0.00 54.97 55.80 2jwe s GLU 13 Cb -0.08 0.09 0.50 0.00 0.10 0.00 0.00 34.13 34.74 2jwe s GLU 13 CO 0.19 -0.07 1.64 1.88 0.02 0.00 0.00 175.26 178.92 2jwe h TYR 14 N 6.11 0.00 -0.03 1.61 -1.99 -1.99 -3.48 116.97 117.20 2jwe h TYR 14 Ca -0.30 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.43 2jwe h TYR 14 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2jwe h TYR 14 CO 0.38 0.35 0.00 0.41 -0.00 0.00 0.00 178.16 179.30 2jwe n GLY 15 N 0.66 0.42 3.12 3.88 0.00 -1.26 -5.05 105.19 106.96 2jwe n GLY 15 Ca 0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.03 2.09 -0.09 0.99 0.05 -1.26 -5.10 118.68 115.33 2jwe s LEU 16 Ca 0.00 -0.63 -0.30 0.00 0.05 0.00 0.00 54.13 53.25 2jwe s LEU 16 Cb 0.00 -1.45 -0.03 0.00 -2.05 0.00 0.00 46.19 42.66 2jwe s LEU 16 CO 0.00 0.01 1.32 -0.60 -0.55 0.00 0.00 176.35 176.53 2jwe s ARG 17 N 1.22 4.27 -0.15 1.48 3.00 -1.26 -5.02 118.95 122.49 2jwe s ARG 17 Ca 0.03 1.79 -0.08 0.00 -1.00 0.00 0.00 55.73 56.47 2jwe s ARG 17 Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 34.95 31.08 2jwe s ARG 17 CO -0.11 -0.62 0.12 -1.17 0.00 0.00 0.00 175.30 173.52 2jwe s LEU 18 N 2.96 4.21 0.27 -0.88 1.98 -1.26 -5.10 118.68 120.86 2jwe s LEU 18 Ca 0.59 0.32 0.02 0.00 -2.89 0.00 0.00 54.13 52.17 2jwe s LEU 18 Cb -0.26 -2.05 -0.05 0.00 0.66 0.00 0.00 46.19 44.50 2jwe s LEU 18 CO 0.21 0.30 0.11 0.00 -1.89 0.00 0.00 176.35 175.08 2jwe s ALA 19 N -0.40 1.77 0.05 5.97 0.00 -1.26 -5.10 121.76 122.79 2jwe s ALA 19 Ca 0.11 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.27 2jwe s ALA 19 Cb -0.12 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 2jwe s ALA 19 CO 0.01 -0.47 -0.09 -1.54 0.00 0.00 0.00 175.76 173.67 2jwe s SER 20 N -3.32 1.09 0.51 0.00 1.04 -1.26 -4.97 113.70 106.78 2jwe s SER 20 Ca 0.37 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.24 2jwe s SER 20 Cb 0.07 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2jwe s SER 20 CO 0.14 -0.18 0.08 -1.00 0.98 0.00 0.00 173.24 173.26 2jwe s HIS 21 N -1.47 1.89 -0.02 5.02 3.76 -1.26 -0.22 115.29 122.99 2jwe s HIS 21 Ca -0.07 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 53.96 2jwe s HIS 21 Cb -0.09 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2jwe s HIS 21 CO 0.01 0.12 -0.08 0.42 -0.85 0.00 0.00 174.74 174.36 2jwe s ILE 22 N -2.84 0.66 0.33 0.60 -1.09 -1.26 -4.91 121.20 112.70 2jwe s ILE 22 Ca 0.14 -0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 2jwe s ILE 22 Cb 0.02 -0.58 0.01 0.00 -1.58 0.00 0.00 42.46 40.33 2jwe s ILE 22 CO 0.08 0.20 0.48 2.22 -1.23 0.00 0.00 174.94 176.69 2jwe n PHE 23 N 3.16 -1.46 -3.74 3.97 -1.74 -1.26 -0.25 117.46 116.14 2jwe n PHE 23 Ca -0.16 -2.18 -0.38 0.00 -0.56 0.00 0.00 57.45 54.17 2jwe n PHE 23 Cb 0.55 0.55 -0.12 0.00 1.52 0.00 0.00 39.48 41.98 2jwe n PHE 23 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2jwe s VAL 24 N -2.74 4.09 0.19 1.97 1.01 -0.11 -4.81 120.40 120.00 2jwe s VAL 24 Ca 0.26 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 2jwe s VAL 24 Cb -0.01 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.35 2jwe s VAL 24 CO 0.19 0.07 1.68 0.50 0.00 0.00 0.00 175.10 177.54 2jwe h LYS 25 N 8.26 1.12 -1.98 2.72 1.63 -1.92 0.36 116.57 126.76 2jwe h LYS 25 Ca -0.31 -0.31 0.31 0.00 -0.85 0.00 0.00 60.65 59.49 2jwe h LYS 25 Cb 1.13 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.56 2jwe h LYS 25 CO 0.61 1.03 0.83 -1.83 -3.45 0.00 0.00 179.45 176.63 2jwe s GLU 26 N -5.18 0.54 -0.03 1.90 -1.05 -1.26 -4.54 118.70 109.08 2jwe s GLU 26 Ca -0.12 -0.33 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 2jwe s GLU 26 Cb 0.14 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2jwe s GLU 26 CO 0.85 -0.25 -0.10 0.42 0.95 0.00 0.00 175.26 177.13 2jwe s ILE 27 N -2.19 0.89 0.46 1.83 1.01 -1.26 -4.89 121.20 117.06 2jwe s ILE 27 Ca 0.23 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2jwe s ILE 27 Cb 0.01 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.59 2jwe s ILE 27 CO -0.01 0.28 1.04 -0.44 0.00 0.00 0.00 174.94 175.81 2jwe s SER 28 N 0.27 6.46 0.49 3.58 0.01 -1.26 -5.04 113.70 118.22 2jwe s SER 28 Ca -0.05 1.94 -0.18 0.00 1.31 0.00 0.00 55.95 58.97 2jwe s SER 28 Cb -0.10 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 2jwe s SER 28 CO 0.01 -0.70 0.98 -1.58 0.41 0.00 0.00 173.24 172.36 2jwe s GLN 29 N -3.07 3.99 -1.83 12.44 2.00 -1.26 -3.70 119.66 128.24 2jwe s GLN 29 Ca 0.65 1.07 0.00 0.00 -2.00 0.00 0.00 55.36 55.08 2jwe s GLN 29 Cb -0.17 -2.14 0.00 0.00 0.80 0.00 0.00 33.01 31.50 2jwe s GLN 29 CO 0.21 -0.24 0.00 -0.25 -0.50 0.00 0.00 175.29 174.51 2jwe n ASP 30 N -1.23 -5.74 -4.91 6.67 8.00 -1.26 -4.98 116.55 113.10 2jwe n ASP 30 Ca 0.07 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 2jwe n ASP 30 Cb 0.54 -4.83 -0.01 0.00 -0.02 0.00 0.00 41.12 36.80 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jwe s SER 31 N -2.17 4.85 0.38 -2.24 0.01 -1.24 -5.00 113.70 108.29 2jwe s SER 31 Ca 0.00 -0.99 0.07 0.00 1.31 0.00 0.00 55.95 56.33 2jwe s SER 31 Cb 0.00 0.01 0.78 0.00 0.21 0.00 0.00 66.02 67.02 2jwe s SER 31 CO 0.00 -0.96 1.98 -0.07 0.41 0.00 0.00 173.24 174.60 2jwe h LEU 32 N 0.78 0.61 -0.46 2.44 3.38 -1.94 -2.06 115.31 118.05 2jwe h LEU 32 Ca -0.38 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2jwe h LEU 32 Cb 1.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2jwe h LEU 32 CO 0.55 0.40 0.07 0.00 0.09 0.00 0.00 178.44 179.55 2jwe h ALA 33 N 1.64 0.62 -0.93 1.53 0.00 -1.95 0.85 119.26 121.01 2jwe h ALA 33 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jwe h ALA 33 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jwe h ALA 33 CO -0.08 0.35 0.56 0.00 0.00 0.00 0.00 179.25 180.08 2jwe h ALA 34 N 0.95 1.24 -0.06 0.00 0.00 -1.62 0.18 119.26 119.94 2jwe h ALA 34 Ca 0.14 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2jwe h ALA 34 Cb 0.40 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jwe h ALA 34 CO 0.01 0.65 -0.58 0.00 0.00 0.00 0.00 179.25 179.33 2jwe h ARG 35 N 1.28 0.50 -0.49 0.00 3.08 -1.30 -3.26 114.38 114.19 2jwe h ARG 35 Ca 0.33 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2jwe h ARG 35 Cb -0.05 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2jwe h ARG 35 CO -0.06 1.09 0.07 0.22 -1.07 0.00 0.00 179.97 180.22 2jwe h ASP 36 N 0.06 0.73 -4.95 7.04 3.58 -0.61 -3.47 116.42 118.80 2jwe h ASP 36 Ca -0.06 -0.15 -0.29 0.00 0.42 0.00 0.00 57.03 56.96 2jwe h ASP 36 Cb 1.25 -0.19 0.13 0.00 1.72 0.00 0.00 39.33 42.24 2jwe h ASP 36 CO 0.12 0.76 -0.59 0.61 -2.88 0.00 0.00 179.24 177.25 2jwe n GLY 37 N -0.79 -0.23 0.86 -0.78 0.00 0.61 -4.93 105.19 99.93 2jwe n GLY 37 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.50 0.95 -4.74 1.61 3.02 -1.25 -5.06 115.26 107.29 2jwe n ASN 38 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2jwe n ASN 38 Cb 0.60 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.91 3.50 0.00 2.41 -1.09 -1.26 -5.04 121.20 117.81 2jwe s ILE 39 Ca 0.00 1.32 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 2jwe s ILE 39 Cb 0.00 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2jwe s ILE 39 CO 0.00 0.24 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.30 2jwe s GLN 40 N -0.54 0.49 0.15 2.79 0.74 -1.26 -4.94 119.66 117.09 2jwe s GLN 40 Ca 0.51 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 55.31 2jwe s GLN 40 Cb -0.33 -0.45 -0.10 0.00 1.10 0.00 0.00 33.01 33.23 2jwe s GLN 40 CO 0.38 0.12 1.70 -1.83 -0.55 0.00 0.00 175.29 175.11 2jwe s GLU 41 N -0.35 4.16 0.00 1.67 4.04 -1.26 -1.95 118.70 125.02 2jwe s GLU 41 Ca 0.01 2.50 0.00 0.00 0.04 0.00 0.00 54.97 57.51 2jwe s GLU 41 Cb -0.03 -3.31 0.00 0.00 0.02 0.00 0.00 34.13 30.80 2jwe s GLU 41 CO -0.00 -0.73 0.00 0.41 -1.84 0.00 0.00 175.26 173.09 2jwe n GLY 42 N 3.99 3.28 3.73 -3.83 0.00 0.13 -5.00 105.19 107.49 2jwe n GLY 42 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.33 -4.61 1.61 9.92 -0.82 -4.61 116.55 121.37 2jwe n ASP 43 Ca 0.00 1.20 -0.40 0.00 -0.53 0.00 0.00 54.79 55.07 2jwe n ASP 43 Cb 0.00 -1.55 -0.08 0.00 -0.64 0.00 0.00 41.12 38.85 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 -0.88 5.11 -0.35 2.53 1.01 -1.26 -0.93 120.40 125.63 2jwe s VAL 44 Ca 0.57 0.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 2jwe s VAL 44 Cb -0.53 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2jwe s VAL 44 CO 0.60 0.09 0.58 -0.69 0.00 0.00 0.00 175.10 175.69 2jwe s VAL 45 N 2.21 4.94 -0.12 2.92 1.01 0.66 -2.41 120.40 129.61 2jwe s VAL 45 Ca 0.18 0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 2jwe s VAL 45 Cb -0.16 -4.03 -0.27 0.00 0.00 0.00 0.00 36.38 31.93 2jwe s VAL 45 CO 0.10 -0.27 0.65 -0.07 0.00 0.00 0.00 175.10 175.50 2jwe h LEU 46 N 9.25 0.24 -8.60 3.92 4.07 -1.18 -3.37 115.31 119.63 2jwe h LEU 46 Ca -0.27 -0.86 -0.36 0.00 0.08 0.00 0.00 57.88 56.47 2jwe h LEU 46 Cb 1.12 -0.08 -0.16 0.00 1.08 0.00 0.00 40.66 42.61 2jwe h LEU 46 CO 0.81 1.37 -0.73 -0.54 -1.08 0.00 0.00 178.44 178.27 2jwe s LYS 47 N -2.38 1.02 -0.04 1.13 3.01 -1.18 -2.04 119.74 119.25 2jwe s LYS 47 Ca -0.19 -1.33 -0.02 0.00 -1.01 0.00 0.00 55.97 53.42 2jwe s LYS 47 Cb 0.02 -0.71 0.03 0.00 -1.01 0.00 0.00 37.83 36.16 2jwe s LYS 47 CO 0.73 0.11 0.04 0.42 0.51 0.00 0.00 175.35 177.17 2jwe s ILE 48 N -2.77 0.00 -1.60 2.17 1.01 0.11 -1.59 121.20 118.53 2jwe s ILE 48 Ca 0.12 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 2jwe s ILE 48 Cb -0.01 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.24 2jwe s ILE 48 CO 0.01 0.18 0.24 -3.20 0.00 0.00 0.00 174.94 172.18 2jwe n ASN 49 N 5.10 -5.65 -0.23 3.58 2.85 0.18 -2.08 115.26 119.01 2jwe n ASN 49 Ca -0.07 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2jwe n ASN 49 Cb 0.50 -4.66 0.00 0.00 1.24 0.00 0.00 39.78 36.86 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 -1.18 0.67 3.23 8.20 0.00 -1.26 -5.00 105.19 109.86 2jwe n GLY 50 Ca -0.18 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.46 -0.27 0.28 2.61 2.01 -0.88 -5.14 115.64 111.79 2jwe s THR 51 Ca 0.00 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 2jwe s THR 51 Cb 0.00 -0.60 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 2jwe s THR 51 CO 0.00 0.06 1.33 -0.69 -0.69 0.00 0.00 174.62 174.62 2jwe s VAL 52 N 1.89 2.84 -0.24 3.82 1.01 -1.26 0.07 120.40 128.52 2jwe s VAL 52 Ca -0.06 0.77 0.10 0.00 0.00 0.00 0.00 61.98 62.79 2jwe s VAL 52 Cb -0.10 -3.49 0.43 0.00 0.00 0.00 0.00 36.38 33.22 2jwe s VAL 52 CO -0.12 0.16 1.22 0.35 0.00 0.00 0.00 175.10 176.70 2jwe n THR 53 N 1.53 2.32 -3.52 3.92 -2.24 -0.87 -4.90 114.28 110.53 2jwe n THR 53 Ca 0.03 -3.53 -0.36 0.00 -2.27 0.00 0.00 64.05 57.91 2jwe n THR 53 Cb 0.42 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.35 3.86 0.00 -0.78 2.12 -1.26 -4.04 118.70 115.24 2jwe s GLU 54 Ca 0.42 0.32 0.00 0.00 0.36 0.00 0.00 54.97 56.07 2jwe s GLU 54 Cb 0.38 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.68 2jwe s GLU 54 CO -0.03 0.61 0.00 0.09 -0.54 0.00 0.00 175.26 175.39 2jwe n ASN 55 N 1.31 -4.67 -4.98 -1.70 3.02 0.70 -4.95 115.26 103.98 2jwe n ASN 55 Ca -0.10 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.24 2jwe n ASN 55 Cb 0.52 -2.42 0.03 0.00 -0.61 0.00 0.00 39.78 37.30 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jwe s MET 56 N -1.27 2.41 0.26 3.52 1.75 -1.26 -4.77 119.30 119.94 2jwe s MET 56 Ca 0.00 -1.65 -0.30 0.00 -1.25 0.00 0.00 55.69 52.50 2jwe s MET 56 Cb 0.00 -2.51 -0.09 0.00 2.84 0.00 0.00 34.83 35.07 2jwe s MET 56 CO 0.00 -0.62 1.08 -1.54 -0.65 0.00 0.00 175.02 173.29 2jwe s SER 57 N -4.46 7.31 0.44 1.11 1.04 -1.26 -4.91 113.70 112.98 2jwe s SER 57 Ca 0.53 2.20 0.16 0.00 0.48 0.00 0.00 55.95 59.32 2jwe s SER 57 Cb -0.05 -2.62 1.08 0.00 0.10 0.00 0.00 66.02 64.52 2jwe s SER 57 CO 0.33 -0.12 1.93 0.25 0.98 0.00 0.00 173.24 176.61 2jwe h LEU 58 N 4.06 0.36 -0.73 2.42 5.85 -1.95 -0.82 115.31 124.50 2jwe h LEU 58 Ca -0.46 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2jwe h LEU 58 Cb 1.21 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2jwe h LEU 58 CO 0.68 0.19 0.48 0.74 -0.34 0.00 0.00 178.44 180.19 2jwe h THR 59 N 0.38 1.18 -0.44 1.05 2.02 -1.99 -2.40 112.91 112.72 2jwe h THR 59 Ca 0.36 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.28 2jwe h THR 59 Cb 0.84 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 2jwe h THR 59 CO -0.11 0.18 -0.01 0.44 0.37 0.00 0.00 175.52 176.40 2jwe h ASP 60 N 0.98 -0.20 -0.94 4.18 5.19 -1.53 0.23 116.42 124.34 2jwe h ASP 60 Ca 0.27 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.81 2jwe h ASP 60 Cb -0.10 0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 2jwe h ASP 60 CO -0.06 -0.06 0.62 0.00 -3.12 0.00 0.00 179.24 176.61 2jwe h ALA 61 N 1.39 1.37 -0.53 3.45 0.00 -1.49 -1.20 119.26 122.26 2jwe h ALA 61 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jwe h ALA 61 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jwe h ALA 61 CO -0.37 0.55 0.06 1.57 0.00 0.00 0.00 179.25 181.06 2jwe h LYS 62 N 1.21 0.85 -0.66 0.00 5.09 -0.52 -2.79 116.57 119.75 2jwe h LYS 62 Ca 0.36 -0.21 -0.07 0.00 0.09 0.00 0.00 60.65 60.83 2jwe h LYS 62 Cb -0.05 -0.11 -0.03 0.00 0.10 0.00 0.00 32.23 32.14 2jwe h LYS 62 CO -0.10 0.81 0.16 1.15 -2.09 0.00 0.00 179.45 179.38 2jwe h THR 63 N 0.80 1.26 -0.75 0.07 2.02 0.50 -2.48 112.91 114.33 2jwe h THR 63 Ca 0.16 -0.95 0.13 0.00 0.77 0.00 0.00 66.41 66.51 2jwe h THR 63 Cb 0.40 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 2jwe h THR 63 CO 0.01 0.36 0.49 -0.07 0.37 0.00 0.00 175.52 176.69 2jwe h LEU 64 N 0.99 0.47 -0.94 2.58 3.38 -1.04 0.23 115.31 120.99 2jwe h LEU 64 Ca 0.21 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 2jwe h LEU 64 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jwe h LEU 64 CO 0.00 0.26 -0.34 0.40 0.09 0.00 0.00 178.44 178.85 2jwe h ILE 65 N 0.51 1.29 0.02 1.22 1.08 -1.38 -2.82 117.51 117.42 2jwe h ILE 65 Ca 0.36 -1.40 -0.25 0.00 -0.39 0.00 0.00 64.86 63.17 2jwe h ILE 65 Cb 0.69 1.54 0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2jwe h ILE 65 CO -0.12 0.43 -0.99 -0.33 -0.69 0.00 0.00 178.15 176.45 2jwe h GLU 66 N 0.30 0.64 -0.36 2.37 5.08 -0.54 -3.23 114.58 118.85 2jwe h GLU 66 Ca 0.04 -0.71 0.06 0.00 -1.00 0.00 0.00 59.36 57.74 2jwe h GLU 66 Cb 0.75 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2jwe h GLU 66 CO 0.06 1.30 0.24 -0.09 -1.00 0.00 0.00 179.01 179.52 2jwe h ARG 67 N 0.28 0.22 -6.02 2.33 2.43 -0.73 -3.41 114.38 109.49 2jwe h ARG 67 Ca -0.13 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.44 2jwe h ARG 67 Cb 1.66 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2jwe h ARG 67 CO 0.19 0.14 1.47 0.45 -1.51 0.00 0.00 179.97 180.72 2jwe s SER 68 N -6.59 5.49 -0.39 -3.80 0.15 -1.07 -4.84 113.70 102.64 2jwe s SER 68 Ca -0.06 1.79 0.04 0.00 0.70 0.00 0.00 55.95 58.42 2jwe s SER 68 Cb 0.18 -2.51 0.61 0.00 -1.71 0.00 0.00 66.02 62.59 2jwe s SER 68 CO 0.72 -1.95 1.81 2.29 1.20 0.00 0.00 173.24 177.30 2jwe n LYS 69 N 8.73 2.26 0.00 5.44 2.85 -1.26 -4.88 118.16 131.29 2jwe n LYS 69 Ca 0.29 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.86 2jwe n LYS 69 Cb 0.45 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 2jwe n LYS 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jwe n GLY 70 N -0.88 -1.52 3.76 2.58 0.00 -1.26 -5.13 105.19 102.74 2jwe n GLY 70 Ca 0.52 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 4.40 0.06 1.61 0.00 -1.26 -5.07 119.74 119.48 2jwe s LYS 71 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 55.97 56.94 2jwe s LYS 71 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 37.83 34.45 2jwe s LYS 71 CO 0.00 0.34 -0.21 -1.17 0.00 0.00 0.00 175.35 174.31 2jwe s LEU 72 N -0.18 2.46 -0.05 2.77 0.20 -1.26 -4.91 118.68 117.71 2jwe s LEU 72 Ca 0.34 -0.53 0.04 0.00 0.69 0.00 0.00 54.13 54.68 2jwe s LEU 72 Cb -0.19 -1.42 -0.00 0.00 -0.43 0.00 0.00 46.19 44.14 2jwe s LEU 72 CO 0.20 0.24 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.79 2jwe s LYS 73 N -1.54 1.87 -0.07 1.98 1.02 -1.26 -5.00 119.74 116.74 2jwe s LYS 73 Ca 0.14 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.50 2jwe s LYS 73 Cb -0.10 -1.59 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2jwe s LYS 73 CO 0.05 0.20 0.16 -1.64 -0.92 0.00 0.00 175.35 173.20 2jwe s MET 74 N 0.17 0.08 -0.28 1.68 -1.94 -1.26 0.49 119.30 118.25 2jwe s MET 74 Ca -0.07 0.44 -0.07 0.00 -1.71 0.00 0.00 55.69 54.29 2jwe s MET 74 Cb -0.13 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.51 2jwe s MET 74 CO 0.03 -0.21 0.07 0.08 -0.01 0.00 0.00 175.02 174.98 2jwe s VAL 75 N 1.53 3.99 0.36 -6.03 1.01 -0.62 -5.03 120.40 115.61 2jwe s VAL 75 Ca -0.05 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2jwe s VAL 75 Cb -0.12 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 2jwe s VAL 75 CO -0.06 0.16 -0.04 0.68 0.00 0.00 0.00 175.10 175.83 2jwe s VAL 76 N 1.52 2.03 0.04 2.92 -7.23 -1.26 -0.74 120.40 117.68 2jwe s VAL 76 Ca 0.04 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 2jwe s VAL 76 Cb -0.17 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 2jwe s VAL 76 CO 0.02 -0.12 -0.19 0.00 -0.31 0.00 0.00 175.10 174.49 2jwe s GLN 77 N -3.67 1.32 -0.64 4.82 -2.07 -1.01 -4.95 119.66 113.44 2jwe s GLN 77 Ca 0.33 -0.89 0.02 0.00 -1.82 0.00 0.00 55.36 53.01 2jwe s GLN 77 Cb 0.06 -1.40 0.37 0.00 -1.09 0.00 0.00 33.01 30.95 2jwe s GLN 77 CO 0.17 0.36 1.40 0.54 -1.32 0.00 0.00 175.29 176.43 2jwe n ARG 78 N 1.92 3.47 -1.14 9.60 1.74 -1.26 -4.15 116.66 126.83 2jwe n ARG 78 Ca -0.17 -4.35 0.14 0.00 -0.77 0.00 0.00 57.85 52.70 2jwe n ARG 78 Cb 0.54 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.64 2jwe n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jwe n ASP 79 N -0.40 -6.70 -3.59 0.55 2.03 -1.26 -5.07 116.55 102.11 2jwe n ASP 79 Ca 0.42 0.90 -0.06 0.00 0.52 0.00 0.00 54.79 56.57 2jwe n ASP 79 Cb 0.45 -3.76 -0.04 0.00 -0.72 0.00 0.00 41.12 37.05 2jwe n ASP 79 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jwe s GLU 80 N -3.26 0.39 0.25 -0.67 2.56 -1.26 -5.19 118.70 111.51 2jwe s GLU 80 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.97 55.00 2jwe s GLU 80 Cb 0.00 0.18 -0.01 0.00 2.00 0.00 0.00 34.13 36.31 2jwe s GLU 80 CO 0.00 -0.14 0.29 1.47 -0.56 0.00 0.00 175.26 176.32 2jwe n LEU 81 N 0.41 0.00 0.00 2.70 -0.00 -1.26 -5.32 117.00 113.54 2jwe n LEU 81 Ca -0.05 -2.15 0.11 0.00 -0.00 0.00 0.00 56.01 53.92 2jwe n LEU 81 Cb 0.59 1.57 0.65 0.00 -0.00 0.00 0.00 43.42 46.23 2jwe n LEU 81 CO 0.11 -0.43 0.84 -1.84 -0.00 0.00 0.00 177.39 176.07