#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 3.36 -0.31 -2.82 1.02 -1.26 -5.10 119.74 114.63 2jwe s LYS 2 Ca 0.00 -0.65 -0.08 0.00 0.02 0.00 0.00 55.97 55.26 2jwe s LYS 2 Cb 0.00 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2jwe s LYS 2 CO 0.00 0.26 0.12 0.08 -0.92 0.00 0.00 175.35 174.89 2jwe s VAL 3 N 0.24 4.17 -0.17 3.17 1.01 -1.26 -5.08 120.40 122.48 2jwe s VAL 3 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2jwe s VAL 3 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2jwe s VAL 3 CO 0.05 0.01 -0.15 -0.89 0.00 0.00 0.00 175.10 174.11 2jwe s THR 4 N 1.52 2.56 0.26 3.92 2.01 -1.26 -5.12 115.64 119.54 2jwe s THR 4 Ca 0.03 -0.79 0.11 0.00 0.31 0.00 0.00 61.69 61.34 2jwe s THR 4 Cb -0.18 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2jwe s THR 4 CO 0.04 0.51 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 2jwe s LEU 5 N 1.04 2.59 -0.29 4.42 2.01 -1.26 -5.13 118.68 122.05 2jwe s LEU 5 Ca -0.01 -1.04 0.00 0.00 0.01 0.00 0.00 54.13 53.10 2jwe s LEU 5 Cb -0.15 -0.99 0.09 0.00 0.01 0.00 0.00 46.19 45.15 2jwe s LEU 5 CO -0.04 -0.02 0.05 -0.69 1.01 0.00 0.00 176.35 176.66 2jwe s VAL 6 N -2.63 1.30 -0.74 -1.59 1.01 -1.26 -5.01 120.40 111.48 2jwe s VAL 6 Ca 0.28 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 2jwe s VAL 6 Cb -0.04 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.53 2jwe s VAL 6 CO 0.13 -0.51 2.70 1.17 0.00 0.00 0.00 175.10 178.59 2jwe n LYS 7 N 4.69 3.14 0.00 2.72 4.81 -1.26 -3.90 118.16 128.36 2jwe n LYS 7 Ca -0.03 -2.64 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 2jwe n LYS 7 Cb 0.43 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2jwe n LYS 7 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jwe n SER 8 N 1.30 0.00 0.05 3.14 3.41 -1.26 -4.95 113.62 115.30 2jwe n SER 8 Ca 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 2jwe n SER 8 Cb 0.46 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.52 -5.91 4.33 3.08 -1.98 -3.41 114.38 109.97 2jwe h ARG 9 Ca 0.00 0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.41 2jwe h ARG 9 Cb 0.00 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.01 2jwe h ARG 9 CO 0.00 -0.35 -0.63 0.21 -1.07 0.00 0.00 179.97 178.13 2jwe s LYS 10 N -5.91 3.05 -1.23 0.04 2.47 -1.26 -5.03 119.74 111.87 2jwe s LYS 10 Ca -0.16 -0.43 -0.20 0.00 -1.56 0.00 0.00 55.97 53.62 2jwe s LYS 10 Cb 0.09 -2.79 -0.02 0.00 -1.46 0.00 0.00 37.83 33.64 2jwe s LYS 10 CO 0.64 0.64 1.85 -1.71 0.16 0.00 0.00 175.35 176.93 2jwe n ASN 11 N 2.34 3.90 -3.60 1.43 2.85 -1.26 -4.81 115.26 116.10 2jwe n ASN 11 Ca -0.18 -2.80 -0.08 0.00 -0.11 0.00 0.00 54.58 51.41 2jwe n ASN 11 Cb 0.53 -1.73 -0.05 0.00 1.24 0.00 0.00 39.78 39.77 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jwe s GLU 12 N 5.41 0.43 1.08 1.20 -6.30 -1.26 -5.18 118.70 114.08 2jwe s GLU 12 Ca 0.62 0.13 -0.16 0.00 -2.50 0.00 0.00 54.97 53.05 2jwe s GLU 12 Cb 0.02 0.20 0.23 0.00 0.00 0.00 0.00 34.13 34.58 2jwe s GLU 12 CO 0.11 -0.13 1.15 -1.21 0.02 0.00 0.00 175.26 175.20 2jwe s GLU 13 N -0.98 -0.24 0.37 4.30 2.02 -1.26 -4.86 118.70 118.05 2jwe s GLU 13 Ca 0.02 0.04 0.10 0.00 0.02 0.00 0.00 54.97 55.15 2jwe s GLU 13 Cb -0.01 -1.70 0.74 0.00 0.10 0.00 0.00 34.13 33.26 2jwe s GLU 13 CO -0.02 -3.08 1.87 1.88 0.02 0.00 0.00 175.26 175.94 2jwe h TYR 14 N -2.13 0.19 -5.96 1.61 0.05 -1.99 -3.47 116.97 105.27 2jwe h TYR 14 Ca -0.48 -0.03 -0.40 0.00 0.05 0.00 0.00 58.73 57.88 2jwe h TYR 14 Cb 1.30 -0.05 0.09 0.00 1.01 0.00 0.00 36.73 39.08 2jwe h TYR 14 CO -1.11 0.39 -0.80 0.41 -1.05 0.00 0.00 178.16 176.01 2jwe n GLY 15 N -0.70 -0.35 3.21 3.88 0.00 -1.26 -4.99 105.19 104.98 2jwe n GLY 15 Ca -0.01 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -6.67 2.31 -0.37 0.99 0.05 -1.26 -5.08 118.68 108.64 2jwe s LEU 16 Ca 0.10 -0.54 -0.29 0.00 0.05 0.00 0.00 54.13 53.44 2jwe s LEU 16 Cb -0.05 -1.52 0.01 0.00 -2.05 0.00 0.00 46.19 42.58 2jwe s LEU 16 CO 0.78 0.06 1.36 -0.13 -0.55 0.00 0.00 176.35 177.88 2jwe s ARG 17 N 0.93 3.71 -0.17 1.48 1.81 -1.26 -5.00 118.95 120.45 2jwe s ARG 17 Ca -0.04 1.04 -0.09 0.00 -1.72 0.00 0.00 55.73 54.93 2jwe s ARG 17 Cb -0.15 -3.97 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 2jwe s ARG 17 CO -0.03 -1.39 0.14 -1.17 -0.68 0.00 0.00 175.30 172.17 2jwe s LEU 18 N 5.01 4.28 0.33 2.53 1.98 -1.26 -5.09 118.68 126.45 2jwe s LEU 18 Ca 0.59 0.33 0.04 0.00 -2.89 0.00 0.00 54.13 52.20 2jwe s LEU 18 Cb -0.15 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 2jwe s LEU 18 CO 0.29 0.26 0.16 0.00 -1.89 0.00 0.00 176.35 175.17 2jwe s ALA 19 N -0.13 2.21 0.02 5.97 0.00 -1.26 -5.10 121.76 123.47 2jwe s ALA 19 Ca 0.11 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.37 2jwe s ALA 19 Cb -0.11 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2jwe s ALA 19 CO 0.00 -0.47 0.02 -1.54 0.00 0.00 0.00 175.76 173.78 2jwe s SER 20 N -3.44 0.21 0.51 0.00 1.04 -1.26 -4.97 113.70 105.79 2jwe s SER 20 Ca 0.33 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.28 2jwe s SER 20 Cb 0.04 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 2jwe s SER 20 CO 0.18 -0.38 0.04 -1.00 0.98 0.00 0.00 173.24 173.06 2jwe s HIS 21 N -1.91 1.89 -0.00 5.02 3.76 -1.26 0.25 115.29 123.04 2jwe s HIS 21 Ca -0.11 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 53.90 2jwe s HIS 21 Cb -0.06 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 2jwe s HIS 21 CO -0.02 0.18 -0.10 0.42 -0.85 0.00 0.00 174.74 174.37 2jwe s ILE 22 N -2.86 0.78 0.32 0.60 -1.09 -1.25 -4.88 121.20 112.82 2jwe s ILE 22 Ca 0.10 -0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2jwe s ILE 22 Cb 0.02 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.24 2jwe s ILE 22 CO 0.06 0.18 0.49 0.72 -1.23 0.00 0.00 174.94 175.15 2jwe s PHE 23 N -0.31 0.85 -0.43 3.97 -0.71 -1.26 0.03 117.98 120.12 2jwe s PHE 23 Ca 0.03 -1.14 -0.13 0.00 -1.04 0.00 0.00 56.93 54.65 2jwe s PHE 23 Cb -0.04 0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.85 2jwe s PHE 23 CO -0.00 -1.12 0.30 0.08 -1.34 0.00 0.00 175.22 173.14 2jwe s VAL 24 N -3.23 4.83 0.37 -2.49 1.01 0.17 -4.83 120.40 116.22 2jwe s VAL 24 Ca 0.28 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2jwe s VAL 24 Cb -0.01 -3.83 0.27 0.00 0.00 0.00 0.00 36.38 32.81 2jwe s VAL 24 CO 0.17 -0.45 2.01 0.50 0.00 0.00 0.00 175.10 177.33 2jwe h LYS 25 N 8.58 0.74 -1.88 2.72 1.63 -1.92 0.83 116.57 127.27 2jwe h LYS 25 Ca -0.26 -0.04 0.31 0.00 -0.85 0.00 0.00 60.65 59.81 2jwe h LYS 25 Cb 1.10 -0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.48 2jwe h LYS 25 CO 0.78 0.49 0.83 -1.21 -3.45 0.00 0.00 179.45 176.89 2jwe s GLU 26 N -5.66 0.50 -0.02 1.90 2.02 -1.26 -4.52 118.70 111.67 2jwe s GLU 26 Ca -0.10 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2jwe s GLU 26 Cb 0.18 0.15 -0.00 0.00 0.10 0.00 0.00 34.13 34.56 2jwe s GLU 26 CO 0.76 -0.23 -0.12 0.42 0.02 0.00 0.00 175.26 176.11 2jwe s ILE 27 N -2.24 0.95 0.44 -1.63 1.09 -1.26 -4.94 121.20 113.61 2jwe s ILE 27 Ca 0.22 -0.48 -0.22 0.00 -1.10 0.00 0.00 60.65 59.07 2jwe s ILE 27 Cb 0.02 -0.82 -0.10 0.00 -1.06 0.00 0.00 42.46 40.50 2jwe s ILE 27 CO -0.01 0.28 1.00 -0.44 -0.10 0.00 0.00 174.94 175.66 2jwe s SER 28 N -0.03 6.73 0.59 3.58 0.01 -1.26 -5.04 113.70 118.28 2jwe s SER 28 Ca 0.00 1.85 -0.15 0.00 1.31 0.00 0.00 55.95 58.95 2jwe s SER 28 Cb -0.07 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2jwe s SER 28 CO 0.00 -0.51 1.04 0.00 0.41 0.00 0.00 173.24 174.18 2jwe s GLN 29 N -2.99 3.44 -1.38 12.44 1.03 -1.26 -3.67 119.66 127.27 2jwe s GLN 29 Ca 0.62 1.09 -0.06 0.00 0.04 0.00 0.00 55.36 57.06 2jwe s GLN 29 Cb -0.15 -2.06 0.04 0.00 0.03 0.00 0.00 33.01 30.88 2jwe s GLN 29 CO 0.19 -0.70 0.47 -0.25 -2.54 0.00 0.00 175.29 172.46 2jwe n ASP 30 N -2.07 -4.74 -4.86 12.60 8.00 -1.26 -4.97 116.55 119.25 2jwe n ASP 30 Ca 0.08 -0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.07 2jwe n ASP 30 Cb 0.53 -3.89 -0.03 0.00 -0.02 0.00 0.00 41.12 37.71 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jwe s SER 31 N -2.62 4.76 0.32 -2.24 1.04 -1.24 -5.01 113.70 108.71 2jwe s SER 31 Ca 0.31 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2jwe s SER 31 Cb -0.15 -0.19 0.52 0.00 0.10 0.00 0.00 66.02 66.30 2jwe s SER 31 CO 0.38 -0.80 1.96 -0.07 0.98 0.00 0.00 173.24 175.69 2jwe h LEU 32 N 1.01 0.81 -0.36 2.42 3.38 -1.93 -2.08 115.31 118.57 2jwe h LEU 32 Ca -0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2jwe h LEU 32 Cb 1.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2jwe h LEU 32 CO 0.60 0.63 0.16 0.00 0.09 0.00 0.00 178.44 179.92 2jwe h ALA 33 N 1.51 0.46 -0.84 1.53 0.00 -1.96 0.32 119.26 120.29 2jwe h ALA 33 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jwe h ALA 33 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2jwe h ALA 33 CO -0.04 0.03 0.44 0.00 0.00 0.00 0.00 179.25 179.68 2jwe h ALA 34 N 1.01 1.21 -0.10 0.00 0.00 -1.71 0.14 119.26 119.81 2jwe h ALA 34 Ca 0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2jwe h ALA 34 Cb 0.14 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jwe h ALA 34 CO -0.01 0.63 -0.86 0.00 0.00 0.00 0.00 179.25 179.01 2jwe h ARG 35 N 1.17 0.71 -0.24 0.00 -0.00 -1.14 -3.23 114.38 111.65 2jwe h ARG 35 Ca 0.29 -0.64 -0.11 0.00 -0.50 0.00 0.00 59.98 59.02 2jwe h ARG 35 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 2jwe h ARG 35 CO -0.05 1.24 -0.32 0.22 0.00 0.00 0.00 179.97 181.07 2jwe h ASP 36 N 0.46 0.52 -4.62 7.04 3.58 -0.06 -3.48 116.42 119.87 2jwe h ASP 36 Ca -0.07 -0.20 -0.27 0.00 0.42 0.00 0.00 57.03 56.91 2jwe h ASP 36 Cb 1.49 -0.14 0.11 0.00 1.72 0.00 0.00 39.33 42.51 2jwe h ASP 36 CO 0.17 0.81 -0.53 0.61 -2.88 0.00 0.00 179.24 177.42 2jwe n GLY 37 N -0.22 -0.15 0.76 -0.78 0.00 0.45 -4.94 105.19 100.32 2jwe n GLY 37 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.18 1.17 -4.68 1.61 3.02 -1.25 -5.03 115.26 107.93 2jwe n ASN 38 Ca -0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 2jwe n ASN 38 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.93 4.86 0.21 2.41 1.09 -1.26 -5.05 121.20 121.53 2jwe s ILE 39 Ca 0.00 1.72 0.11 0.00 -1.10 0.00 0.00 60.65 61.37 2jwe s ILE 39 Cb 0.00 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.18 2jwe s ILE 39 CO 0.00 0.03 -0.18 -1.58 -0.10 0.00 0.00 174.94 173.11 2jwe s GLN 40 N 2.08 1.75 -0.22 2.79 0.74 -1.26 -4.84 119.66 120.70 2jwe s GLN 40 Ca 0.40 -1.51 -0.28 0.00 0.05 0.00 0.00 55.36 54.03 2jwe s GLN 40 Cb -0.17 -1.93 -0.05 0.00 1.10 0.00 0.00 33.01 31.96 2jwe s GLN 40 CO 0.14 0.39 2.14 -1.21 -0.55 0.00 0.00 175.29 176.20 2jwe s GLU 41 N -2.97 3.23 0.00 1.67 8.01 -1.26 -1.21 118.70 126.17 2jwe s GLU 41 Ca 0.25 1.98 0.00 0.00 0.01 0.00 0.00 54.97 57.21 2jwe s GLU 41 Cb -0.07 -4.33 0.00 0.00 -4.31 0.00 0.00 34.13 25.41 2jwe s GLU 41 CO 0.13 -1.99 0.00 0.41 0.01 0.00 0.00 175.26 173.82 2jwe n GLY 42 N 5.62 0.86 3.73 -1.39 0.00 0.29 -5.01 105.19 109.29 2jwe n GLY 42 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2jwe n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jwe s ASP 43 N -2.16 6.72 -0.35 1.61 1.11 -0.35 -4.67 116.67 118.57 2jwe s ASP 43 Ca 0.00 2.51 -0.18 0.00 0.18 0.00 0.00 52.55 55.06 2jwe s ASP 43 Cb 0.00 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 2jwe s ASP 43 CO 0.00 -0.70 0.54 -0.69 1.18 0.00 0.00 175.17 175.50 2jwe s VAL 44 N 0.67 5.00 -0.01 -1.27 1.01 -1.26 0.45 120.40 124.99 2jwe s VAL 44 Ca 0.64 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 2jwe s VAL 44 Cb -0.40 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2jwe s VAL 44 CO 0.35 -0.22 0.49 -0.69 0.00 0.00 0.00 175.10 175.04 2jwe s VAL 45 N 2.44 4.98 -0.10 2.92 1.01 0.10 -0.87 120.40 130.88 2jwe s VAL 45 Ca 0.20 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2jwe s VAL 45 Cb -0.15 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 2jwe s VAL 45 CO 0.13 0.49 -0.09 0.18 0.00 0.00 0.00 175.10 175.82 2jwe n LEU 46 N 2.38 2.87 -4.15 3.92 4.32 0.13 -3.87 117.00 122.60 2jwe n LEU 46 Ca -0.10 -0.05 -0.16 0.00 -0.02 0.00 0.00 56.01 55.67 2jwe n LEU 46 Cb 0.52 -0.34 -0.11 0.00 -1.62 0.00 0.00 43.42 41.87 2jwe n LEU 46 CO 0.41 0.65 -0.43 -0.54 -1.22 0.00 0.00 177.39 176.26 2jwe s LYS 47 N -2.20 0.78 -0.04 3.23 1.02 -1.03 0.24 119.74 121.74 2jwe s LYS 47 Ca -0.13 -0.99 -0.01 0.00 0.02 0.00 0.00 55.97 54.85 2jwe s LYS 47 Cb 0.03 -0.63 0.03 0.00 -0.52 0.00 0.00 37.83 36.75 2jwe s LYS 47 CO 0.24 0.12 0.06 0.42 -0.92 0.00 0.00 175.35 175.27 2jwe s ILE 48 N -1.71 -0.10 -1.58 2.17 1.01 0.16 0.12 121.20 121.26 2jwe s ILE 48 Ca -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2jwe s ILE 48 Cb -0.07 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.26 2jwe s ILE 48 CO 0.01 0.14 0.21 -3.20 0.00 0.00 0.00 174.94 172.10 2jwe n ASN 49 N 4.86 -5.55 -0.31 3.58 2.85 0.69 -1.76 115.26 119.62 2jwe n ASN 49 Ca -0.13 -0.09 -0.01 0.00 -0.11 0.00 0.00 54.58 54.24 2jwe n ASN 49 Cb 0.50 -4.59 0.00 0.00 1.24 0.00 0.00 39.78 36.93 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 -1.14 0.47 3.01 8.20 0.00 -1.26 -5.00 105.19 109.45 2jwe n GLY 50 Ca -0.18 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.33 -0.01 0.51 2.61 2.01 -0.72 -5.15 115.64 112.56 2jwe s THR 51 Ca 0.01 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 2jwe s THR 51 Cb -0.00 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.22 2jwe s THR 51 CO 0.01 0.02 1.32 -0.69 -0.69 0.00 0.00 174.62 174.59 2jwe s VAL 52 N 0.31 2.33 -0.20 3.82 1.01 -1.26 0.37 120.40 126.78 2jwe s VAL 52 Ca -0.02 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.37 2jwe s VAL 52 Cb -0.03 -3.13 0.45 0.00 0.00 0.00 0.00 36.38 33.67 2jwe s VAL 52 CO -0.01 0.00 1.18 0.41 0.00 0.00 0.00 175.10 176.68 2jwe n THR 53 N -0.75 1.62 -4.09 3.92 -1.04 0.14 -4.78 114.28 109.30 2jwe n THR 53 Ca 0.09 -2.96 -0.34 0.00 -2.04 0.00 0.00 64.05 58.80 2jwe n THR 53 Cb 0.45 0.10 -0.07 0.00 -1.82 0.00 0.00 70.33 68.99 2jwe n THR 53 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jwe s GLU 54 N -2.75 3.14 0.00 -2.82 2.12 -1.26 -4.32 118.70 112.81 2jwe s GLU 54 Ca 0.38 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2jwe s GLU 54 Cb 0.38 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.85 2jwe s GLU 54 CO -0.05 0.68 0.00 0.09 -0.54 0.00 0.00 175.26 175.43 2jwe n ASN 55 N 1.40 -3.62 -4.94 -1.70 3.02 0.14 -4.95 115.26 104.62 2jwe n ASN 55 Ca -0.15 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.16 2jwe n ASN 55 Cb 0.53 -2.11 -0.01 0.00 -0.61 0.00 0.00 39.78 37.58 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 -1.06 3.50 0.43 3.52 1.75 -1.26 -4.80 119.30 121.38 2jwe s MET 56 Ca 0.00 -0.25 -0.22 0.00 -1.25 0.00 0.00 55.69 53.97 2jwe s MET 56 Cb 0.00 -2.62 -0.10 0.00 2.84 0.00 0.00 34.83 34.95 2jwe s MET 56 CO 0.00 0.10 1.00 -1.12 -0.65 0.00 0.00 175.02 174.35 2jwe s SER 57 N -4.02 6.75 0.52 1.11 0.01 -1.26 -4.89 113.70 111.92 2jwe s SER 57 Ca 0.41 1.86 0.24 0.00 1.31 0.00 0.00 55.95 59.77 2jwe s SER 57 Cb -0.10 -2.56 1.37 0.00 0.21 0.00 0.00 66.02 64.94 2jwe s SER 57 CO 0.37 -0.50 2.01 0.25 0.41 0.00 0.00 173.24 175.78 2jwe h LEU 58 N 2.07 0.02 -0.44 2.44 5.85 -1.98 -0.95 115.31 122.32 2jwe h LEU 58 Ca -0.49 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 2jwe h LEU 58 Cb 1.20 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jwe h LEU 58 CO 0.61 0.01 0.04 0.74 -0.34 0.00 0.00 178.44 179.50 2jwe h THR 59 N 0.02 1.25 -0.91 1.05 2.02 -2.01 -2.96 112.91 111.38 2jwe h THR 59 Ca 0.23 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.47 2jwe h THR 59 Cb 0.91 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 2jwe h THR 59 CO -0.01 0.34 0.59 0.44 0.37 0.00 0.00 175.52 177.25 2jwe h ASP 60 N 0.61 1.00 -0.76 4.18 5.19 -1.55 -1.57 116.42 123.51 2jwe h ASP 60 Ca 0.13 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2jwe h ASP 60 Cb 0.44 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.67 2jwe h ASP 60 CO 0.02 0.69 0.50 0.00 -3.12 0.00 0.00 179.24 177.33 2jwe h ALA 61 N 1.37 1.59 -0.41 3.45 0.00 -1.36 -0.88 119.26 123.02 2jwe h ALA 61 Ca 0.36 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jwe h ALA 61 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jwe h ALA 61 CO -0.11 0.32 -0.03 0.87 0.00 0.00 0.00 179.25 180.29 2jwe h LYS 62 N 0.89 0.67 -0.44 0.00 1.79 -1.16 -2.93 116.57 115.39 2jwe h LYS 62 Ca 0.31 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2jwe h LYS 62 Cb 0.12 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2jwe h LYS 62 CO -0.10 0.71 0.10 1.15 -1.08 0.00 0.00 179.45 180.23 2jwe h THR 63 N 0.63 1.24 -0.78 -0.16 2.02 -0.83 -2.57 112.91 112.46 2jwe h THR 63 Ca 0.12 -0.83 0.12 0.00 0.77 0.00 0.00 66.41 66.60 2jwe h THR 63 Cb 0.44 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 2jwe h THR 63 CO 0.02 0.29 0.51 -0.07 0.37 0.00 0.00 175.52 176.64 2jwe h LEU 64 N 0.58 0.53 -0.69 2.58 3.38 -1.25 0.26 115.31 120.70 2jwe h LEU 64 Ca 0.14 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2jwe h LEU 64 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jwe h LEU 64 CO 0.00 0.29 -0.59 0.40 0.09 0.00 0.00 178.44 178.64 2jwe h ILE 65 N 0.58 1.38 -0.00 1.22 2.04 -1.43 -3.02 117.51 118.28 2jwe h ILE 65 Ca 0.37 -1.95 -0.25 0.00 1.00 0.00 0.00 64.86 64.03 2jwe h ILE 65 Cb 0.65 1.99 0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2jwe h ILE 65 CO -0.14 0.58 -0.99 -0.33 0.00 0.00 0.00 178.15 177.26 2jwe h GLU 66 N 0.16 0.57 -0.35 2.37 5.08 -0.39 -3.21 114.58 118.81 2jwe h GLU 66 Ca -0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.76 2jwe h GLU 66 Cb 1.08 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2jwe h GLU 66 CO 0.09 1.22 0.23 -0.09 -1.00 0.00 0.00 179.01 179.46 2jwe h ARG 67 N 0.32 0.44 -6.15 2.33 2.43 -0.60 -3.42 114.38 109.73 2jwe h ARG 67 Ca -0.11 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.46 2jwe h ARG 67 Cb 1.64 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2jwe h ARG 67 CO 0.18 0.29 1.35 0.45 -1.51 0.00 0.00 179.97 180.74 2jwe n SER 68 N -4.49 3.52 0.04 -3.80 2.88 -1.15 -4.86 113.62 105.77 2jwe n SER 68 Ca 0.02 0.56 -0.11 0.00 -1.33 0.00 0.00 58.87 58.01 2jwe n SER 68 Cb 0.07 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 2jwe n SER 68 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jwe h LYS 69 N 12.55 0.46 0.00 -1.46 1.57 -1.90 -3.46 116.57 124.33 2jwe h LYS 69 Ca -0.44 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 2jwe h LYS 69 Cb 1.25 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2jwe h LYS 69 CO 0.96 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 181.27 2jwe n GLY 70 N 0.63 -0.99 3.71 3.86 0.00 -1.26 -5.11 105.19 106.02 2jwe n GLY 70 Ca -0.05 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2jwe n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jwe s LYS 71 N -1.25 4.38 -0.18 1.61 3.01 -1.26 -5.06 119.74 120.99 2jwe s LYS 71 Ca 0.00 0.79 -0.02 0.00 -1.01 0.00 0.00 55.97 55.74 2jwe s LYS 71 Cb 0.00 -3.47 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 2jwe s LYS 71 CO 0.00 0.00 -0.10 -1.17 0.51 0.00 0.00 175.35 174.59 2jwe s LEU 72 N 1.05 2.72 -0.12 3.17 0.20 -1.26 -4.90 118.68 119.54 2jwe s LEU 72 Ca 0.35 -0.40 -0.06 0.00 0.69 0.00 0.00 54.13 54.71 2jwe s LEU 72 Cb -0.17 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2jwe s LEU 72 CO 0.15 0.06 0.09 -0.54 -0.29 0.00 0.00 176.35 175.83 2jwe s LYS 73 N 0.98 3.38 -0.13 1.98 1.02 -1.26 -4.97 119.74 120.74 2jwe s LYS 73 Ca -0.01 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.71 2jwe s LYS 73 Cb -0.15 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 2jwe s LYS 73 CO -0.01 0.70 0.25 -1.64 -0.92 0.00 0.00 175.35 173.73 2jwe s MET 74 N -0.83 0.14 -0.40 1.68 -1.94 -1.26 -0.22 119.30 116.47 2jwe s MET 74 Ca 0.13 0.72 -0.16 0.00 -1.71 0.00 0.00 55.69 54.67 2jwe s MET 74 Cb -0.12 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.64 2jwe s MET 74 CO 0.03 -0.30 0.34 0.08 -0.01 0.00 0.00 175.02 175.16 2jwe s VAL 75 N 2.41 5.20 0.42 -6.03 1.01 0.12 -4.98 120.40 118.54 2jwe s VAL 75 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2jwe s VAL 75 Cb -0.12 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2jwe s VAL 75 CO -0.08 -0.29 0.39 0.68 0.00 0.00 0.00 175.10 175.80 2jwe s VAL 76 N 1.87 2.64 0.01 2.92 -7.23 -1.26 0.21 120.40 119.56 2jwe s VAL 76 Ca 0.08 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2jwe s VAL 76 Cb -0.18 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 2jwe s VAL 76 CO 0.11 0.00 0.11 -1.58 -0.31 0.00 0.00 175.10 173.44 2jwe s GLN 77 N -4.14 3.15 0.00 4.82 0.74 -0.05 -4.88 119.66 119.30 2jwe s GLN 77 Ca 0.48 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.42 2jwe s GLN 77 Cb -0.03 -2.91 0.00 0.00 1.10 0.00 0.00 33.01 31.17 2jwe s GLN 77 CO 0.28 0.64 0.00 -2.13 -0.55 0.00 0.00 175.29 173.53 2jwe n ARG 78 N 0.98 0.00 -2.39 1.67 0.00 -1.26 -4.54 116.66 111.12 2jwe n ARG 78 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.31 2jwe n ARG 78 Cb 0.52 -0.36 -0.03 0.00 0.00 0.00 0.00 32.46 32.59 2jwe n ARG 78 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2jwe s ASP 79 N -4.72 7.00 0.00 6.15 -4.77 -1.26 -4.89 116.67 114.17 2jwe s ASP 79 Ca 0.00 1.91 0.14 0.00 -3.30 0.00 0.00 52.55 51.29 2jwe s ASP 79 Cb 0.00 -2.56 0.23 0.00 -1.09 0.00 0.00 42.92 39.50 2jwe s ASP 79 CO 0.00 -0.62 1.07 1.21 0.70 0.00 0.00 175.17 177.53 2jwe n GLU 80 N 5.19 0.00 -1.14 2.11 2.13 -1.26 -5.14 120.64 122.53 2jwe n GLU 80 Ca 0.11 -1.48 0.02 0.00 0.66 0.00 0.00 57.16 56.48 2jwe n GLU 80 Cb 0.45 -0.14 -0.01 0.00 0.27 0.00 0.00 31.44 32.01 2jwe n GLU 80 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2jwe n LEU 81 N 0.26 -1.16 0.00 4.31 4.77 -1.26 -5.34 117.00 118.58 2jwe n LEU 81 Ca 0.01 2.06 0.00 0.00 -0.03 0.00 0.00 56.01 58.05 2jwe n LEU 81 Cb 0.93 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2jwe n LEU 81 CO -0.03 -0.76 0.03 -0.62 -1.33 0.00 0.00 177.39 174.67