#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 4.33 -0.10 1.09 2.47 -1.26 -5.02 119.74 121.25 2jwe s LYS 2 Ca 0.00 1.66 0.04 0.00 -1.56 0.00 0.00 55.97 56.10 2jwe s LYS 2 Cb 0.00 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.78 2jwe s LYS 2 CO 0.00 -0.49 -0.23 0.08 0.16 0.00 0.00 175.35 174.87 2jwe s VAL 3 N 2.42 2.00 -0.13 4.02 1.01 -1.26 -5.12 120.40 123.34 2jwe s VAL 3 Ca 0.55 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2jwe s VAL 3 Cb -0.24 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jwe s VAL 3 CO 0.20 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.86 2jwe s THR 4 N 0.39 1.23 0.25 3.92 2.01 -1.26 -5.14 115.64 117.05 2jwe s THR 4 Ca -0.18 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.46 2jwe s THR 4 Cb -0.18 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2jwe s THR 4 CO 0.08 0.36 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.54 2jwe s LEU 5 N 1.62 2.99 -0.29 4.42 2.01 -1.26 -5.12 118.68 123.05 2jwe s LEU 5 Ca 0.04 -0.72 -0.01 0.00 0.01 0.00 0.00 54.13 53.45 2jwe s LEU 5 Cb -0.13 -1.55 0.09 0.00 0.01 0.00 0.00 46.19 44.61 2jwe s LEU 5 CO -0.09 0.03 0.08 -0.69 1.01 0.00 0.00 176.35 176.70 2jwe s VAL 6 N -2.22 0.85 0.29 -1.59 1.01 -1.26 -5.13 120.40 112.35 2jwe s VAL 6 Ca 0.29 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2jwe s VAL 6 Cb -0.07 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2jwe s VAL 6 CO 0.18 -0.60 0.95 -0.75 0.00 0.00 0.00 175.10 174.87 2jwe s LYS 7 N 1.64 4.71 1.00 2.72 2.20 -1.26 -5.06 119.74 125.68 2jwe s LYS 7 Ca 0.08 1.42 -0.17 0.00 -0.36 0.00 0.00 55.97 56.94 2jwe s LYS 7 Cb -0.17 -3.02 0.21 0.00 -1.51 0.00 0.00 37.83 33.34 2jwe s LYS 7 CO -0.23 0.38 1.30 0.45 -0.36 0.00 0.00 175.35 176.89 2jwe s SER 8 N -1.40 2.77 -0.03 1.43 0.15 -1.09 -5.05 113.70 110.49 2jwe s SER 8 Ca 0.46 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 2jwe s SER 8 Cb -0.22 -0.36 -0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2jwe s SER 8 CO 0.28 -2.95 0.07 0.03 1.20 0.00 0.00 173.24 171.87 2jwe h ARG 9 N -1.79 -0.02 -0.13 5.44 -0.00 -2.04 -3.38 114.38 112.46 2jwe h ARG 9 Ca -0.44 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 58.94 2jwe h ARG 9 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.20 2jwe h ARG 9 CO 0.37 -0.02 -0.34 1.57 0.00 0.00 0.00 179.97 181.55 2jwe h LYS 10 N -0.31 0.26 -5.08 0.04 2.10 -2.06 -3.41 116.57 108.11 2jwe h LYS 10 Ca -0.00 -0.11 -0.63 0.00 -2.00 0.00 0.00 60.65 57.92 2jwe h LYS 10 Cb 0.02 -0.01 -0.15 0.00 -0.90 0.00 0.00 32.23 31.19 2jwe h LYS 10 CO 0.00 0.57 -0.41 1.21 -2.00 0.00 0.00 179.45 178.83 2jwe s ASN 11 N -6.87 6.16 -0.53 7.07 2.47 -1.26 -5.01 114.94 116.96 2jwe s ASN 11 Ca -0.05 0.16 0.07 0.00 0.42 0.00 0.00 52.86 53.46 2jwe s ASN 11 Cb 0.14 -2.15 0.29 0.00 -1.45 0.00 0.00 41.25 38.08 2jwe s ASN 11 CO 0.77 -0.04 0.75 -0.62 -3.72 0.00 0.00 177.10 174.23 2jwe n GLU 12 N 4.79 2.13 -3.57 0.43 1.02 -1.26 -2.66 120.64 121.51 2jwe n GLU 12 Ca -0.12 -4.24 -0.26 0.00 -0.02 0.00 0.00 57.16 52.52 2jwe n GLU 12 Cb 0.52 -1.96 -0.16 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.47 0.13 0.33 3.49 0.41 -1.26 -5.00 118.70 114.32 2jwe s GLU 13 Ca 0.41 -0.19 0.17 0.00 -0.41 0.00 0.00 54.97 54.95 2jwe s GLU 13 Cb 0.22 -1.51 0.40 0.00 -1.78 0.00 0.00 34.13 31.46 2jwe s GLU 13 CO -0.08 -0.79 1.60 1.88 -0.49 0.00 0.00 175.26 177.39 2jwe h TYR 14 N 8.40 0.00 -3.69 1.61 0.05 -2.00 -3.48 116.97 117.86 2jwe h TYR 14 Ca -0.17 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.37 2jwe h TYR 14 Cb 1.10 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.92 2jwe h TYR 14 CO 0.20 0.45 -0.40 0.41 -1.05 0.00 0.00 178.16 177.77 2jwe n GLY 15 N 0.67 0.01 3.08 3.88 0.00 -1.26 -5.03 105.19 106.54 2jwe n GLY 15 Ca 0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.71 1.87 -0.23 0.99 0.05 -1.26 -5.12 118.68 110.27 2jwe s LEU 16 Ca 0.31 -0.28 -0.17 0.00 0.05 0.00 0.00 54.13 54.04 2jwe s LEU 16 Cb -0.14 -0.80 -0.03 0.00 -2.05 0.00 0.00 46.19 43.17 2jwe s LEU 16 CO 0.39 0.12 0.45 -0.13 -0.55 0.00 0.00 176.35 176.63 2jwe s ARG 17 N 0.09 4.13 -0.10 1.48 1.81 -1.26 -5.07 118.95 120.03 2jwe s ARG 17 Ca -0.03 0.26 -0.05 0.00 -1.72 0.00 0.00 55.73 54.18 2jwe s ARG 17 Cb -0.10 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.77 2jwe s ARG 17 CO 0.01 -0.18 0.11 -1.17 -0.68 0.00 0.00 175.30 173.40 2jwe s LEU 18 N 1.74 4.21 0.17 2.53 1.98 -1.26 -5.11 118.68 122.94 2jwe s LEU 18 Ca 0.20 0.38 -0.09 0.00 -2.89 0.00 0.00 54.13 51.73 2jwe s LEU 18 Cb -0.15 -2.09 -0.01 0.00 0.66 0.00 0.00 46.19 44.60 2jwe s LEU 18 CO 0.09 0.38 0.28 0.00 -1.89 0.00 0.00 176.35 175.21 2jwe s ALA 19 N -1.04 0.04 0.08 5.97 0.00 -1.26 -5.11 121.76 120.44 2jwe s ALA 19 Ca 0.16 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2jwe s ALA 19 Cb -0.12 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 2jwe s ALA 19 CO 0.06 -0.65 -0.12 -1.54 0.00 0.00 0.00 175.76 173.51 2jwe s SER 20 N -2.98 1.56 0.51 0.00 1.04 -1.26 -4.98 113.70 107.59 2jwe s SER 20 Ca 0.18 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2jwe s SER 20 Cb 0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2jwe s SER 20 CO 0.01 -0.14 0.02 -1.00 0.98 0.00 0.00 173.24 173.10 2jwe s HIS 21 N -1.66 1.80 0.01 5.02 3.76 -1.26 -0.64 115.29 122.32 2jwe s HIS 21 Ca 0.00 -1.02 0.04 0.00 -0.15 0.00 0.00 55.06 53.93 2jwe s HIS 21 Cb -0.08 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.05 2jwe s HIS 21 CO 0.02 0.15 -0.13 0.42 -0.85 0.00 0.00 174.74 174.35 2jwe s ILE 22 N -2.93 1.00 0.32 0.60 -1.09 -1.25 -4.88 121.20 112.98 2jwe s ILE 22 Ca 0.05 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2jwe s ILE 22 Cb 0.01 -0.87 0.01 0.00 -1.58 0.00 0.00 42.46 40.03 2jwe s ILE 22 CO 0.03 0.17 0.50 0.72 -1.23 0.00 0.00 174.94 175.12 2jwe s PHE 23 N -0.50 0.84 -0.37 3.97 -0.71 -1.26 0.67 117.98 120.62 2jwe s PHE 23 Ca 0.03 -1.14 -0.11 0.00 -1.04 0.00 0.00 56.93 54.67 2jwe s PHE 23 Cb -0.06 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.82 2jwe s PHE 23 CO 0.00 -1.14 0.21 0.08 -1.34 0.00 0.00 175.22 173.04 2jwe s VAL 24 N -3.20 4.70 0.32 -2.49 1.01 0.06 -4.83 120.40 115.97 2jwe s VAL 24 Ca 0.28 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2jwe s VAL 24 Cb -0.01 -3.58 0.25 0.00 0.00 0.00 0.00 36.38 33.04 2jwe s VAL 24 CO 0.17 -0.19 1.97 0.50 0.00 0.00 0.00 175.10 177.55 2jwe h LYS 25 N 8.45 0.95 -1.20 2.72 1.63 -1.91 -0.08 116.57 127.14 2jwe h LYS 25 Ca -0.27 -0.07 0.40 0.00 -0.85 0.00 0.00 60.65 59.86 2jwe h LYS 25 Cb 1.11 -0.21 -0.13 0.00 -0.60 0.00 0.00 32.23 32.41 2jwe h LYS 25 CO 0.67 0.65 0.99 -1.83 -3.45 0.00 0.00 179.45 176.48 2jwe s GLU 26 N -5.77 0.04 -0.03 1.90 -1.05 -1.26 -4.54 118.70 107.99 2jwe s GLU 26 Ca -0.11 -0.02 0.05 0.00 -0.15 0.00 0.00 54.97 54.74 2jwe s GLU 26 Cb 0.17 0.01 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2jwe s GLU 26 CO 0.78 -0.02 -0.17 0.42 0.95 0.00 0.00 175.26 177.22 2jwe s ILE 27 N -2.04 1.42 0.61 1.83 1.09 -1.26 -4.95 121.20 117.91 2jwe s ILE 27 Ca 0.18 -0.73 -0.14 0.00 -1.10 0.00 0.00 60.65 58.85 2jwe s ILE 27 Cb 0.06 -1.21 -0.03 0.00 -1.06 0.00 0.00 42.46 40.22 2jwe s ILE 27 CO -0.06 0.41 1.05 -0.44 -0.10 0.00 0.00 174.94 175.79 2jwe s SER 28 N -0.11 5.84 0.41 3.58 0.01 -1.26 -5.04 113.70 117.13 2jwe s SER 28 Ca -0.00 1.71 -0.20 0.00 1.31 0.00 0.00 55.95 58.76 2jwe s SER 28 Cb -0.10 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.51 2jwe s SER 28 CO 0.01 -1.13 0.92 -1.10 0.41 0.00 0.00 173.24 172.35 2jwe s GLN 29 N -4.38 4.21 -1.55 12.44 -0.21 -1.26 -3.77 119.66 125.15 2jwe s GLN 29 Ca 0.61 1.07 -0.04 0.00 0.02 0.00 0.00 55.36 57.02 2jwe s GLN 29 Cb -0.14 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.64 2jwe s GLN 29 CO 0.41 0.01 0.44 -3.47 -2.12 0.00 0.00 175.29 170.56 2jwe n ASP 30 N -0.55 -5.69 -4.89 5.90 -0.08 -1.26 -4.99 116.55 104.99 2jwe n ASP 30 Ca 0.06 -0.22 -0.23 0.00 -1.51 0.00 0.00 54.79 52.89 2jwe n ASP 30 Cb 0.54 -4.65 -0.02 0.00 2.34 0.00 0.00 41.12 39.33 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2jwe s SER 31 N -2.54 4.81 0.21 1.67 1.04 -1.25 -5.01 113.70 112.63 2jwe s SER 31 Ca 0.24 -1.01 -0.09 0.00 0.48 0.00 0.00 55.95 55.57 2jwe s SER 31 Cb -0.11 -0.04 0.16 0.00 0.10 0.00 0.00 66.02 66.13 2jwe s SER 31 CO 0.29 -0.91 1.83 -0.07 0.98 0.00 0.00 173.24 175.37 2jwe h LEU 32 N 0.87 0.98 -0.69 2.42 3.38 -1.94 -2.23 115.31 118.09 2jwe h LEU 32 Ca -0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2jwe h LEU 32 Cb 1.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2jwe h LEU 32 CO 0.57 0.79 0.24 0.00 0.09 0.00 0.00 178.44 180.13 2jwe h ALA 33 N 1.22 0.90 -0.72 1.53 0.00 -1.96 0.84 119.26 121.08 2jwe h ALA 33 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jwe h ALA 33 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jwe h ALA 33 CO -0.04 0.56 0.42 0.00 0.00 0.00 0.00 179.25 180.19 2jwe h ALA 34 N 1.11 1.39 0.04 0.00 0.00 -1.71 0.60 119.26 120.69 2jwe h ALA 34 Ca 0.23 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 2jwe h ALA 34 Cb 0.26 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jwe h ALA 34 CO -0.01 0.52 -0.87 0.00 0.00 0.00 0.00 179.25 178.89 2jwe h ARG 35 N 0.99 0.52 -0.53 0.00 3.08 -1.04 -3.29 114.38 114.11 2jwe h ARG 35 Ca 0.26 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 2jwe h ARG 35 Cb -0.02 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2jwe h ARG 35 CO -0.05 1.23 0.11 0.22 -1.07 0.00 0.00 179.97 180.42 2jwe h ASP 36 N 0.07 0.77 -2.40 7.04 3.58 -0.59 -3.47 116.42 121.42 2jwe h ASP 36 Ca -0.12 -0.14 -0.24 0.00 0.42 0.00 0.00 57.03 56.94 2jwe h ASP 36 Cb 1.57 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 42.43 2jwe h ASP 36 CO 0.17 0.77 -0.34 0.61 -2.88 0.00 0.00 179.24 177.56 2jwe n GLY 37 N -0.83 -0.08 0.05 -0.78 0.00 0.18 -4.92 105.19 98.81 2jwe n GLY 37 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.61 3.25 -4.69 1.61 3.02 -1.25 -4.99 115.26 111.60 2jwe n ASN 38 Ca -0.10 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 2jwe n ASN 38 Cb 0.59 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.19 4.95 0.11 2.41 -1.09 -1.26 -5.05 121.20 119.08 2jwe s ILE 39 Ca -0.12 1.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.91 2jwe s ILE 39 Cb 0.03 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2jwe s ILE 39 CO 0.23 0.12 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.34 2jwe s GLN 40 N 1.56 1.00 0.10 2.79 2.00 -1.26 -4.86 119.66 120.99 2jwe s GLN 40 Ca 0.38 -1.20 -0.32 0.00 -2.00 0.00 0.00 55.36 52.22 2jwe s GLN 40 Cb -0.17 -0.91 -0.11 0.00 0.80 0.00 0.00 33.01 32.62 2jwe s GLN 40 CO 0.15 0.18 1.82 -1.91 -0.50 0.00 0.00 175.29 175.03 2jwe n GLU 41 N 0.64 2.66 -0.01 1.67 0.00 -1.26 -1.25 120.64 123.10 2jwe n GLU 41 Ca -0.16 0.97 0.00 0.00 0.00 0.00 0.00 57.16 57.97 2jwe n GLU 41 Cb 0.57 -2.85 0.00 0.00 0.00 0.00 0.00 31.44 29.16 2jwe n GLU 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jwe n GLY 42 N 4.18 0.95 3.68 8.31 0.00 -0.04 -5.02 105.19 117.24 2jwe n GLY 42 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 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 3.70 -4.65 1.61 9.92 -0.38 -4.64 116.55 122.10 2jwe n ASP 43 Ca 0.00 0.96 -0.42 0.00 -0.53 0.00 0.00 54.79 54.80 2jwe n ASP 43 Cb 0.00 -1.44 -0.04 0.00 -0.64 0.00 0.00 41.12 39.01 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 3.88 4.80 -0.05 2.53 1.01 -1.26 -0.76 120.40 130.56 2jwe s VAL 44 Ca 0.90 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 64.41 2jwe s VAL 44 Cb -0.60 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 2jwe s VAL 44 CO 0.47 -0.08 0.49 -0.69 0.00 0.00 0.00 175.10 175.29 2jwe s VAL 45 N 2.78 5.06 -0.17 2.92 1.01 0.21 -2.46 120.40 129.75 2jwe s VAL 45 Ca 0.38 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2jwe s VAL 45 Cb -0.16 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 2jwe s VAL 45 CO 0.08 0.42 -0.14 -0.11 0.00 0.00 0.00 175.10 175.35 2jwe n LEU 46 N 2.91 2.83 -4.08 3.92 0.00 1.00 -3.91 117.00 119.66 2jwe n LEU 46 Ca -0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 56.01 55.74 2jwe n LEU 46 Cb 0.52 -0.57 -0.10 0.00 0.00 0.00 0.00 43.42 43.27 2jwe n LEU 46 CO 0.42 0.77 -0.37 -0.54 0.00 0.00 0.00 177.39 177.67 2jwe s LYS 47 N -2.35 0.58 -0.07 1.96 1.02 -1.18 -2.91 119.74 116.79 2jwe s LYS 47 Ca -0.23 -1.03 -0.03 0.00 0.02 0.00 0.00 55.97 54.71 2jwe s LYS 47 Cb 0.06 0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2jwe s LYS 47 CO 0.41 -0.05 0.13 0.42 -0.92 0.00 0.00 175.35 175.34 2jwe s ILE 48 N -2.85 -0.16 -1.54 2.17 1.01 0.18 0.26 121.20 120.26 2jwe s ILE 48 Ca -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 2jwe s ILE 48 Cb 0.00 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2jwe s ILE 48 CO -0.05 0.13 0.38 -3.20 0.00 0.00 0.00 174.94 172.19 2jwe n ASN 49 N 4.88 -5.58 -0.62 3.58 2.85 0.19 -1.72 115.26 118.82 2jwe n ASN 49 Ca -0.13 -0.18 -0.04 0.00 -0.11 0.00 0.00 54.58 54.11 2jwe n ASN 49 Cb 0.50 -4.57 0.00 0.00 1.24 0.00 0.00 39.78 36.95 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 -1.28 0.33 3.09 8.20 0.00 -1.26 -5.01 105.19 109.25 2jwe n GLY 50 Ca -0.14 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.43 0.03 0.25 2.61 2.01 -0.70 -5.15 115.64 112.26 2jwe s THR 51 Ca 0.03 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 2jwe s THR 51 Cb -0.01 -0.34 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 2jwe s THR 51 CO 0.04 -0.13 1.02 -0.69 -0.69 0.00 0.00 174.62 174.17 2jwe s VAL 52 N -0.43 3.81 -0.24 3.82 1.01 -1.26 0.47 120.40 127.57 2jwe s VAL 52 Ca -0.05 1.79 0.11 0.00 0.00 0.00 0.00 61.98 63.82 2jwe s VAL 52 Cb -0.03 -4.14 0.45 0.00 0.00 0.00 0.00 36.38 32.66 2jwe s VAL 52 CO 0.01 0.41 1.19 0.35 0.00 0.00 0.00 175.10 177.06 2jwe n THR 53 N 1.49 2.18 -3.53 3.92 -2.24 -1.15 -4.89 114.28 110.06 2jwe n THR 53 Ca -0.01 -3.59 -0.36 0.00 -2.27 0.00 0.00 64.05 57.82 2jwe n THR 53 Cb 0.46 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.29 3.85 -0.78 -0.78 2.12 -1.26 -4.04 118.70 114.52 2jwe s GLU 54 Ca 0.44 0.31 0.00 0.00 0.36 0.00 0.00 54.97 56.07 2jwe s GLU 54 Cb 0.39 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.68 2jwe s GLU 54 CO -0.02 0.61 0.00 0.09 -0.54 0.00 0.00 175.26 175.41 2jwe n ASN 55 N 1.32 -5.42 -4.96 -1.70 3.02 0.19 -4.96 115.26 102.75 2jwe n ASN 55 Ca -0.11 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.40 2jwe n ASN 55 Cb 0.52 -3.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.12 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 -2.46 3.37 0.43 3.52 1.75 -1.26 -4.87 119.30 119.78 2jwe s MET 56 Ca 0.00 -0.54 -0.24 0.00 -1.25 0.00 0.00 55.69 53.66 2jwe s MET 56 Cb 0.00 -2.72 -0.08 0.00 2.84 0.00 0.00 34.83 34.87 2jwe s MET 56 CO 0.00 0.15 1.13 0.45 -0.65 0.00 0.00 175.02 176.10 2jwe s SER 57 N -4.06 6.43 0.46 1.11 0.15 -1.26 -4.92 113.70 111.61 2jwe s SER 57 Ca 0.40 2.24 0.18 0.00 0.70 0.00 0.00 55.95 59.48 2jwe s SER 57 Cb -0.09 -2.60 1.16 0.00 -1.71 0.00 0.00 66.02 62.78 2jwe s SER 57 CO 0.34 -0.73 1.96 0.25 1.20 0.00 0.00 173.24 176.26 2jwe h LEU 58 N 2.33 0.25 -0.73 3.45 5.85 -1.98 0.04 115.31 124.53 2jwe h LEU 58 Ca -0.49 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 2jwe h LEU 58 Cb 1.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jwe h LEU 58 CO 0.61 0.14 -0.06 0.74 -0.34 0.00 0.00 178.44 179.53 2jwe h THR 59 N 0.27 1.26 -0.49 1.05 2.02 -2.00 -2.99 112.91 112.04 2jwe h THR 59 Ca 0.30 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.37 2jwe h THR 59 Cb 0.82 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2jwe h THR 59 CO -0.07 0.41 0.24 -0.78 0.37 0.00 0.00 175.52 175.69 2jwe h ASP 60 N 0.83 0.34 -0.79 4.18 1.82 -1.35 -1.55 116.42 119.91 2jwe h ASP 60 Ca 0.14 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.87 2jwe h ASP 60 Cb 0.57 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 2jwe h ASP 60 CO 0.03 0.24 0.52 0.00 -1.61 0.00 0.00 179.24 178.42 2jwe h ALA 61 N 1.26 1.62 -0.47 -0.78 0.00 -1.39 -1.33 119.26 118.16 2jwe h ALA 61 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2jwe h ALA 61 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jwe h ALA 61 CO -0.15 0.27 -0.06 0.87 0.00 0.00 0.00 179.25 180.18 2jwe h LYS 62 N 0.87 0.82 -0.59 0.00 1.79 -1.20 -2.98 116.57 115.29 2jwe h LYS 62 Ca 0.33 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2jwe h LYS 62 Cb 0.20 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2jwe h LYS 62 CO -0.11 0.86 0.37 1.15 -1.08 0.00 0.00 179.45 180.63 2jwe h THR 63 N 0.75 1.10 -0.80 -0.16 2.02 -0.55 -1.03 112.91 114.24 2jwe h THR 63 Ca 0.14 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.15 2jwe h THR 63 Cb 0.53 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2jwe h THR 63 CO 0.03 0.13 0.52 -0.07 0.37 0.00 0.00 175.52 176.50 2jwe h LEU 64 N 0.74 0.69 -0.61 2.58 3.38 -1.34 0.34 115.31 121.08 2jwe h LEU 64 Ca 0.23 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 2jwe h LEU 64 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2jwe h LEU 64 CO -0.08 0.42 -0.69 0.40 0.09 0.00 0.00 178.44 178.58 2jwe h ILE 65 N 0.76 1.47 0.01 1.22 2.04 -1.30 -2.86 117.51 118.85 2jwe h ILE 65 Ca 0.36 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 2jwe h ILE 65 Cb 0.40 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2jwe h ILE 65 CO -0.14 0.66 -0.17 -0.08 0.00 0.00 0.00 178.15 178.43 2jwe h GLU 66 N 0.03 0.10 -0.12 2.37 4.81 0.28 -3.26 114.58 118.79 2jwe h GLU 66 Ca -0.01 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2jwe h GLU 66 Cb 1.21 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2jwe h GLU 66 CO 0.09 0.91 0.10 -0.09 -0.73 0.00 0.00 179.01 179.30 2jwe h ARG 67 N -0.67 0.00 -5.75 1.92 9.65 -0.50 -3.41 114.38 115.63 2jwe h ARG 67 Ca -0.02 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.33 2jwe h ARG 67 Cb 0.98 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2jwe h ARG 67 CO 0.03 0.00 1.58 0.43 2.80 0.00 0.00 179.97 184.81 2jwe n SER 68 N -4.30 2.54 -0.03 -3.80 7.64 -1.08 -4.83 113.62 109.76 2jwe n SER 68 Ca -0.00 -0.14 -0.04 0.00 1.01 0.00 0.00 58.87 59.70 2jwe n SER 68 Cb 0.22 -1.52 0.19 0.00 -1.01 0.00 0.00 64.21 62.09 2jwe n SER 68 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2jwe h LYS 69 N 17.02 0.60 0.00 1.43 1.57 -1.90 -3.47 116.57 131.83 2jwe h LYS 69 Ca -0.29 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2jwe h LYS 69 Cb 1.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2jwe h LYS 69 CO 1.09 0.73 0.00 0.41 -0.57 0.00 0.00 179.45 181.11 2jwe n GLY 70 N -0.48 0.15 3.68 3.86 0.00 -1.26 -5.10 105.19 106.04 2jwe n GLY 70 Ca 0.01 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 0.59 4.14 0.07 1.61 1.02 -1.26 -4.99 119.74 120.91 2jwe s LYS 71 Ca 0.00 2.60 0.05 0.00 0.02 0.00 0.00 55.97 58.64 2jwe s LYS 71 Cb 0.00 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2jwe s LYS 71 CO 0.00 -0.88 -0.03 -1.17 -0.92 0.00 0.00 175.35 172.36 2jwe s LEU 72 N 3.27 3.36 -0.08 3.17 0.20 -1.26 -5.00 118.68 122.34 2jwe s LEU 72 Ca 0.83 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 55.49 2jwe s LEU 72 Cb -0.45 -2.07 0.01 0.00 -0.43 0.00 0.00 46.19 43.25 2jwe s LEU 72 CO 0.38 0.20 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.94 2jwe s LYS 73 N -2.09 2.20 -0.03 1.98 1.02 -1.26 -5.00 119.74 116.55 2jwe s LYS 73 Ca 0.23 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 2jwe s LYS 73 Cb -0.11 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2jwe s LYS 73 CO 0.15 0.07 0.03 -1.64 -0.92 0.00 0.00 175.35 173.05 2jwe s MET 74 N 0.59 0.02 -0.40 1.68 -1.94 -1.26 0.53 119.30 118.52 2jwe s MET 74 Ca -0.15 0.23 -0.15 0.00 -1.71 0.00 0.00 55.69 53.91 2jwe s MET 74 Cb -0.16 -0.39 0.01 0.00 2.01 0.00 0.00 34.83 36.30 2jwe s MET 74 CO 0.05 -0.22 0.29 0.08 -0.01 0.00 0.00 175.02 175.21 2jwe s VAL 75 N 1.44 5.26 0.44 -6.03 1.01 0.14 -4.99 120.40 117.67 2jwe s VAL 75 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jwe s VAL 75 Cb -0.13 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2jwe s VAL 75 CO -0.03 -0.26 0.02 0.68 0.00 0.00 0.00 175.10 175.51 2jwe s VAL 76 N 1.69 1.50 -0.11 2.92 -7.23 -1.26 -0.00 120.40 117.90 2jwe s VAL 76 Ca 0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2jwe s VAL 76 Cb -0.19 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2jwe s VAL 76 CO 0.10 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.67 2jwe s GLN 77 N -3.79 2.93 -0.87 4.82 -2.07 -1.03 -4.95 119.66 114.70 2jwe s GLN 77 Ca 0.23 -0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 52.69 2jwe s GLN 77 Cb 0.06 -2.27 -0.08 0.00 -1.09 0.00 0.00 33.01 29.63 2jwe s GLN 77 CO 0.12 0.10 2.11 -0.98 -1.32 0.00 0.00 175.29 175.31 2jwe s ARG 78 N 0.53 2.22 -0.39 9.60 3.03 -1.26 -4.34 118.95 128.34 2jwe s ARG 78 Ca -0.15 -0.03 -0.07 0.00 2.03 0.00 0.00 55.73 57.52 2jwe s ARG 78 Cb -0.17 -4.97 0.07 0.00 -1.03 0.00 0.00 34.95 28.85 2jwe s ARG 78 CO 0.05 -3.76 0.19 -0.51 -1.13 0.00 0.00 175.30 170.14 2jwe s ASP 79 N 9.00 5.43 -0.31 -2.89 1.11 -1.26 -5.07 116.67 122.67 2jwe s ASP 79 Ca 0.78 -1.51 -0.20 0.00 0.18 0.00 0.00 52.55 51.80 2jwe s ASP 79 Cb -0.09 -1.91 -0.01 0.00 1.07 0.00 0.00 42.92 41.99 2jwe s ASP 79 CO 0.02 -0.47 0.60 -1.61 1.18 0.00 0.00 175.17 174.90 2jwe s GLU 80 N 1.35 3.87 -0.25 8.23 2.02 -1.26 -4.88 118.70 127.78 2jwe s GLU 80 Ca 0.02 0.23 -0.10 0.00 0.02 0.00 0.00 54.97 55.14 2jwe s GLU 80 Cb -0.22 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2jwe s GLU 80 CO 0.01 -0.57 0.14 -0.51 0.02 0.00 0.00 175.26 174.35 2jwe s LEU 81 N 2.56 3.91 0.00 1.80 1.43 -1.26 -5.27 118.68 121.85 2jwe s LEU 81 Ca 0.24 0.00 0.27 0.00 -1.03 0.00 0.00 54.13 53.62 2jwe s LEU 81 Cb -0.15 -2.06 0.91 0.00 0.03 0.00 0.00 46.19 44.93 2jwe s LEU 81 CO 0.12 0.02 1.67 -0.62 0.23 0.00 0.00 176.35 177.77