#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 4.04 -0.20 -0.78 2.20 -1.26 -5.09 119.74 118.65 2jwe s LYS 2 Ca 0.00 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2jwe s LYS 2 Cb 0.00 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 2jwe s LYS 2 CO 0.00 0.36 -0.03 0.08 -0.36 0.00 0.00 175.35 175.40 2jwe s VAL 3 N 0.18 3.62 -0.25 4.02 1.01 -1.26 -5.08 120.40 122.63 2jwe s VAL 3 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2jwe s VAL 3 Cb -0.11 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.71 2jwe s VAL 3 CO -0.01 0.43 0.01 -0.89 0.00 0.00 0.00 175.10 174.64 2jwe s THR 4 N 1.15 1.18 -0.11 3.92 2.01 -1.26 -5.12 115.64 117.42 2jwe s THR 4 Ca 0.02 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 2jwe s THR 4 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2jwe s THR 4 CO 0.00 -0.29 0.04 -0.76 -0.69 0.00 0.00 174.62 172.93 2jwe s LEU 5 N 1.53 3.79 -0.42 4.42 1.43 -1.26 -5.08 118.68 123.09 2jwe s LEU 5 Ca -0.00 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 2jwe s LEU 5 Cb -0.18 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.25 2jwe s LEU 5 CO -0.11 0.36 0.24 -0.69 0.23 0.00 0.00 176.35 176.38 2jwe s VAL 6 N -0.74 3.70 -0.39 -1.59 1.01 -1.26 -5.06 120.40 116.06 2jwe s VAL 6 Ca 0.12 -1.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.02 2jwe s VAL 6 Cb -0.12 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2jwe s VAL 6 CO 0.02 -0.63 1.06 -0.75 0.00 0.00 0.00 175.10 174.81 2jwe s LYS 7 N 1.26 3.88 0.65 2.72 2.20 -1.26 -5.03 119.74 124.16 2jwe s LYS 7 Ca 0.05 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.31 2jwe s LYS 7 Cb -0.23 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 2jwe s LYS 7 CO -0.02 -1.09 1.04 0.45 -0.36 0.00 0.00 175.35 175.37 2jwe s SER 8 N 2.01 5.92 0.55 1.43 0.15 -1.26 -4.94 113.70 117.57 2jwe s SER 8 Ca 0.44 1.49 0.26 0.00 0.70 0.00 0.00 55.95 58.84 2jwe s SER 8 Cb -0.10 -2.48 1.47 0.00 -1.71 0.00 0.00 66.02 63.20 2jwe s SER 8 CO 0.22 -1.08 2.03 -0.09 1.20 0.00 0.00 173.24 175.52 2jwe h ARG 9 N -0.46 0.00 -6.94 5.44 2.43 -1.95 -3.42 114.38 109.47 2jwe h ARG 9 Ca -0.44 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.22 2jwe h ARG 9 Cb 1.20 0.00 0.21 0.00 -0.42 0.00 0.00 29.97 30.96 2jwe h ARG 9 CO 0.60 0.00 -0.38 1.17 -1.51 0.00 0.00 179.97 179.85 2jwe n LYS 10 N -4.15 -0.79 -1.27 0.20 0.00 -1.26 -4.78 118.16 106.11 2jwe n LYS 10 Ca 0.06 -0.19 -0.42 0.00 0.00 0.00 0.00 58.31 57.76 2jwe n LYS 10 Cb 0.49 -2.01 -0.04 0.00 0.00 0.00 0.00 35.03 33.47 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jwe n ASN 11 N -2.57 2.96 -3.44 3.14 4.13 -1.26 -4.72 115.26 113.49 2jwe n ASN 11 Ca 0.07 -2.71 -0.20 0.00 1.68 0.00 0.00 54.58 53.42 2jwe n ASN 11 Cb 0.55 -1.24 -0.11 0.00 -1.54 0.00 0.00 39.78 37.43 2jwe n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jwe s GLU 12 N 4.50 0.31 0.76 3.52 2.56 -1.26 -5.15 118.70 123.93 2jwe s GLU 12 Ca 0.54 -0.30 -0.06 0.00 0.00 0.00 0.00 54.97 55.15 2jwe s GLU 12 Cb 0.14 -0.80 0.11 0.00 2.00 0.00 0.00 34.13 35.58 2jwe s GLU 12 CO 0.06 -1.04 1.06 -1.21 -0.56 0.00 0.00 175.26 173.57 2jwe s GLU 13 N 2.22 1.71 0.39 4.30 2.02 -1.26 -4.48 118.70 123.60 2jwe s GLU 13 Ca 0.10 -0.60 0.10 0.00 0.02 0.00 0.00 54.97 54.59 2jwe s GLU 13 Cb -0.15 -2.17 0.80 0.00 0.10 0.00 0.00 34.13 32.71 2jwe s GLU 13 CO -0.32 -1.53 1.92 1.88 0.02 0.00 0.00 175.26 177.23 2jwe h TYR 14 N -0.76 0.22 -2.54 1.61 0.05 -2.01 -3.46 116.97 110.08 2jwe h TYR 14 Ca -0.42 -0.02 -0.32 0.00 0.05 0.00 0.00 58.73 58.01 2jwe h TYR 14 Cb 1.28 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.89 2jwe h TYR 14 CO -0.16 0.35 -0.37 0.41 -1.05 0.00 0.00 178.16 177.34 2jwe n GLY 15 N -0.88 0.35 3.59 3.88 0.00 -1.26 -4.93 105.19 105.93 2jwe n GLY 15 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.11 4.15 -0.22 0.99 0.05 -1.26 -5.03 118.68 112.24 2jwe s LEU 16 Ca 0.00 0.24 -0.29 0.00 0.05 0.00 0.00 54.13 54.13 2jwe s LEU 16 Cb 0.00 -2.53 -0.01 0.00 -2.05 0.00 0.00 46.19 41.60 2jwe s LEU 16 CO 0.00 -0.30 1.39 -0.13 -0.55 0.00 0.00 176.35 176.77 2jwe s ARG 17 N 2.22 3.99 -0.16 1.48 1.81 -1.26 -5.01 118.95 122.03 2jwe s ARG 17 Ca 0.18 1.54 -0.07 0.00 -1.72 0.00 0.00 55.73 55.65 2jwe s ARG 17 Cb -0.16 -3.89 -0.04 0.00 -0.45 0.00 0.00 34.95 30.41 2jwe s ARG 17 CO 0.11 -1.03 0.07 -1.17 -0.68 0.00 0.00 175.30 172.59 2jwe s LEU 18 N 4.31 3.87 0.30 2.53 1.98 -1.26 -5.10 118.68 125.31 2jwe s LEU 18 Ca 0.61 0.14 0.04 0.00 -2.89 0.00 0.00 54.13 52.03 2jwe s LEU 18 Cb -0.21 -1.96 -0.04 0.00 0.66 0.00 0.00 46.19 44.64 2jwe s LEU 18 CO 0.23 0.23 0.18 0.00 -1.89 0.00 0.00 176.35 175.09 2jwe s ALA 19 N 0.03 1.92 0.02 5.97 0.00 -1.26 -5.10 121.76 123.33 2jwe s ALA 19 Ca 0.06 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.28 2jwe s ALA 19 Cb -0.12 1.21 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 2jwe s ALA 19 CO 0.01 -0.53 -0.11 -1.54 0.00 0.00 0.00 175.76 173.58 2jwe s SER 20 N -3.37 1.29 0.53 0.00 1.04 -1.26 -4.96 113.70 106.97 2jwe s SER 20 Ca 0.36 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2jwe s SER 20 Cb 0.05 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2jwe s SER 20 CO 0.19 0.03 0.15 1.41 0.98 0.00 0.00 173.24 176.00 2jwe n HIS 21 N 2.23 0.55 -4.59 5.02 8.25 -1.26 -0.49 115.22 124.94 2jwe n HIS 21 Ca -0.17 -2.46 -0.22 0.00 -0.26 0.00 0.00 57.72 54.61 2jwe n HIS 21 Cb 0.56 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.14 2jwe n HIS 21 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jwe s ILE 22 N -2.81 1.07 0.31 1.59 -1.09 -1.26 -4.92 121.20 114.10 2jwe s ILE 22 Ca 0.11 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2jwe s ILE 22 Cb -0.01 -0.90 -0.00 0.00 -1.58 0.00 0.00 42.46 39.97 2jwe s ILE 22 CO 0.07 0.27 0.45 0.72 -1.23 0.00 0.00 174.94 175.22 2jwe s PHE 23 N -0.38 0.88 -0.29 3.97 -0.71 -1.26 -1.64 117.98 118.55 2jwe s PHE 23 Ca 0.05 -1.15 -0.07 0.00 -1.04 0.00 0.00 56.93 54.72 2jwe s PHE 23 Cb -0.06 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2jwe s PHE 23 CO -0.00 -1.07 0.07 0.08 -1.34 0.00 0.00 175.22 172.95 2jwe s VAL 24 N -3.35 3.94 0.17 -2.49 1.01 -0.45 -4.88 120.40 114.35 2jwe s VAL 24 Ca 0.29 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2jwe s VAL 24 Cb 0.00 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.42 2jwe s VAL 24 CO 0.17 0.12 1.83 0.50 0.00 0.00 0.00 175.10 177.72 2jwe h LYS 25 N 8.22 0.63 -1.83 2.72 1.63 -1.92 -0.28 116.57 125.74 2jwe h LYS 25 Ca -0.33 -0.04 0.32 0.00 -0.85 0.00 0.00 60.65 59.76 2jwe h LYS 25 Cb 1.13 -0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.53 2jwe h LYS 25 CO 0.60 0.42 0.84 -1.83 -3.45 0.00 0.00 179.45 176.02 2jwe s GLU 26 N -6.16 0.47 -0.05 1.90 -1.05 -1.26 -4.45 118.70 108.10 2jwe s GLU 26 Ca -0.13 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 2jwe s GLU 26 Cb 0.12 0.14 -0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2jwe s GLU 26 CO 0.74 -0.22 -0.19 0.42 0.95 0.00 0.00 175.26 176.96 2jwe s ILE 27 N -2.24 1.56 0.51 1.83 1.09 -1.26 -4.90 121.20 117.79 2jwe s ILE 27 Ca 0.21 -0.78 -0.19 0.00 -1.10 0.00 0.00 60.65 58.79 2jwe s ILE 27 Cb 0.02 -1.35 -0.07 0.00 -1.06 0.00 0.00 42.46 40.00 2jwe s ILE 27 CO -0.02 0.45 1.05 -0.55 -0.10 0.00 0.00 174.94 175.77 2jwe s SER 28 N 0.10 6.18 0.47 3.58 0.15 -1.26 -5.02 113.70 117.89 2jwe s SER 28 Ca -0.06 1.93 -0.21 0.00 0.70 0.00 0.00 55.95 58.30 2jwe s SER 28 Cb -0.13 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2jwe s SER 28 CO 0.03 -0.90 1.05 -1.10 1.20 0.00 0.00 173.24 173.53 2jwe s GLN 29 N -3.40 3.86 -1.47 5.44 1.11 -1.26 -3.53 119.66 120.40 2jwe s GLN 29 Ca 0.67 1.44 -0.07 0.00 0.01 0.00 0.00 55.36 57.41 2jwe s GLN 29 Cb -0.17 -2.22 0.02 0.00 -1.01 0.00 0.00 33.01 29.63 2jwe s GLN 29 CO 0.24 -0.40 0.86 -0.25 0.01 0.00 0.00 175.29 175.76 2jwe n ASP 30 N -0.74 -6.00 -4.79 5.90 8.00 -1.26 -5.00 116.55 112.67 2jwe n ASP 30 Ca 0.08 -0.44 -0.25 0.00 0.71 0.00 0.00 54.79 54.90 2jwe n ASP 30 Cb 0.51 -4.79 -0.06 0.00 -0.02 0.00 0.00 41.12 36.77 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 -3.00 4.55 0.23 -2.24 1.04 -1.23 -5.02 113.70 108.02 2jwe s SER 31 Ca 0.45 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 2jwe s SER 31 Cb -0.21 -0.32 0.20 0.00 0.10 0.00 0.00 66.02 65.79 2jwe s SER 31 CO 0.56 -0.66 1.88 -0.07 0.98 0.00 0.00 173.24 175.94 2jwe h LEU 32 N 1.26 1.02 -0.56 2.42 3.38 -1.94 -1.95 115.31 118.94 2jwe h LEU 32 Ca -0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2jwe h LEU 32 Cb 1.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2jwe h LEU 32 CO 0.66 0.77 0.27 0.00 0.09 0.00 0.00 178.44 180.23 2jwe h ALA 33 N 1.29 0.72 -0.58 1.53 0.00 -1.96 0.53 119.26 120.80 2jwe h ALA 33 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jwe h ALA 33 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2jwe h ALA 33 CO -0.06 0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.72 2jwe h ALA 34 N 1.11 1.37 0.16 0.00 0.00 -1.71 -0.60 119.26 119.59 2jwe h ALA 34 Ca 0.19 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2jwe h ALA 34 Cb 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.69 2jwe h ALA 34 CO -0.02 0.49 -1.10 0.00 0.00 0.00 0.00 179.25 178.61 2jwe h ARG 35 N 0.82 0.45 -0.51 0.00 3.08 -0.97 -3.29 114.38 113.95 2jwe h ARG 35 Ca 0.20 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2jwe h ARG 35 Cb 0.12 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2jwe h ARG 35 CO -0.02 1.33 0.32 0.22 -1.07 0.00 0.00 179.97 180.75 2jwe h ASP 36 N -0.05 0.60 -3.65 7.04 3.58 0.27 -3.47 116.42 120.74 2jwe h ASP 36 Ca -0.18 -0.02 -0.28 0.00 0.42 0.00 0.00 57.03 56.96 2jwe h ASP 36 Cb 1.84 -0.15 0.06 0.00 1.72 0.00 0.00 39.33 42.80 2jwe h ASP 36 CO 0.21 0.45 -0.44 0.61 -2.88 0.00 0.00 179.24 177.19 2jwe n GLY 37 N -1.41 -0.13 0.34 -0.78 0.00 -0.25 -4.92 105.19 98.03 2jwe n GLY 37 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.37 2.54 -4.76 1.61 3.02 -1.25 -5.03 115.26 110.01 2jwe n ASN 38 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 2jwe n ASN 38 Cb 0.57 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.04 4.54 0.02 2.41 1.01 -1.26 -5.07 121.20 120.80 2jwe s ILE 39 Ca -0.03 1.66 0.01 0.00 0.00 0.00 0.00 60.65 62.29 2jwe s ILE 39 Cb 0.01 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2jwe s ILE 39 CO 0.04 0.45 -0.04 -1.10 0.00 0.00 0.00 174.94 174.30 2jwe s GLN 40 N -0.65 0.30 0.01 2.79 -0.21 -1.26 -4.85 119.66 115.80 2jwe s GLN 40 Ca 0.37 -0.46 -0.33 0.00 0.02 0.00 0.00 55.36 54.96 2jwe s GLN 40 Cb -0.22 -0.07 -0.11 0.00 1.00 0.00 0.00 33.01 33.61 2jwe s GLN 40 CO 0.25 0.00 1.85 -0.85 -2.12 0.00 0.00 175.29 174.42 2jwe n GLU 41 N 2.06 2.44 0.00 2.91 0.28 -1.26 -1.14 120.64 125.92 2jwe n GLU 41 Ca -0.20 0.89 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 2jwe n GLU 41 Cb 0.56 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.67 2jwe n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jwe n GLY 42 N 4.27 2.20 3.64 -1.84 0.00 -0.11 -5.01 105.19 108.34 2jwe n GLY 42 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 1.55 -4.17 1.61 9.92 -0.30 -4.68 116.55 120.49 2jwe n ASP 43 Ca 0.00 1.01 -0.39 0.00 -0.53 0.00 0.00 54.79 54.89 2jwe n ASP 43 Cb 0.00 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 38.98 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 -1.30 3.79 -0.05 2.53 1.01 -1.26 -1.33 120.40 123.78 2jwe s VAL 44 Ca 0.65 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2jwe s VAL 44 Cb -0.52 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2jwe s VAL 44 CO 0.55 -0.75 1.09 -0.69 0.00 0.00 0.00 175.10 175.30 2jwe s VAL 45 N 1.16 4.53 -0.18 2.92 1.01 -0.65 -3.14 120.40 126.05 2jwe s VAL 45 Ca 0.08 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 2jwe s VAL 45 Cb -0.24 -4.17 -0.22 0.00 0.00 0.00 0.00 36.38 31.75 2jwe s VAL 45 CO -0.03 0.04 0.22 -0.11 0.00 0.00 0.00 175.10 175.22 2jwe n LEU 46 N 4.79 2.26 -4.24 3.92 -0.00 0.18 -4.10 117.00 119.81 2jwe n LEU 46 Ca 0.09 0.30 -0.18 0.00 -0.00 0.00 0.00 56.01 56.22 2jwe n LEU 46 Cb 0.48 -1.02 -0.11 0.00 -0.00 0.00 0.00 43.42 42.77 2jwe n LEU 46 CO 0.53 0.58 -0.45 -0.54 -0.00 0.00 0.00 177.39 177.52 2jwe s LYS 47 N -2.47 1.03 -0.05 1.96 3.01 -1.11 -2.63 119.74 119.48 2jwe s LYS 47 Ca -0.27 -1.27 -0.01 0.00 -1.01 0.00 0.00 55.97 53.41 2jwe s LYS 47 Cb 0.07 -0.88 0.03 0.00 -1.01 0.00 0.00 37.83 36.03 2jwe s LYS 47 CO 0.66 0.16 0.02 0.42 0.51 0.00 0.00 175.35 177.13 2jwe s ILE 48 N -2.27 0.17 -1.51 2.17 1.01 0.24 -0.03 121.20 120.98 2jwe s ILE 48 Ca 0.10 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 2jwe s ILE 48 Cb -0.04 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.09 2jwe s ILE 48 CO 0.03 0.21 0.40 -3.20 0.00 0.00 0.00 174.94 172.38 2jwe n ASN 49 N 5.01 -5.47 -0.25 3.58 2.85 0.20 -1.87 115.26 119.32 2jwe n ASN 49 Ca -0.09 -0.20 -0.01 0.00 -0.11 0.00 0.00 54.58 54.17 2jwe n ASN 49 Cb 0.50 -4.48 0.00 0.00 1.24 0.00 0.00 39.78 37.04 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 -1.29 0.55 3.31 8.20 0.00 -1.26 -5.01 105.19 109.69 2jwe n GLY 50 Ca -0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.38 -0.04 0.18 2.61 2.01 -0.78 -5.14 115.64 112.10 2jwe s THR 51 Ca 0.01 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 2jwe s THR 51 Cb -0.00 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.78 2jwe s THR 51 CO 0.01 0.04 1.19 -0.69 -0.69 0.00 0.00 174.62 174.47 2jwe s VAL 52 N 1.46 3.58 -0.33 3.82 1.01 -1.26 0.80 120.40 129.49 2jwe s VAL 52 Ca -0.09 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2jwe s VAL 52 Cb -0.08 -3.85 0.57 0.00 0.00 0.00 0.00 36.38 33.02 2jwe s VAL 52 CO -0.14 0.22 1.61 0.35 0.00 0.00 0.00 175.10 177.14 2jwe n THR 53 N 2.49 2.74 -3.05 3.92 -2.24 -1.08 -4.91 114.28 112.14 2jwe n THR 53 Ca 0.04 -2.37 -0.37 0.00 -2.27 0.00 0.00 64.05 59.09 2jwe n THR 53 Cb 0.45 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.21 4.33 -0.70 -0.78 2.12 -1.26 -3.65 118.70 115.55 2jwe s GLU 54 Ca 0.49 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.77 2jwe s GLU 54 Cb 0.42 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2jwe s GLU 54 CO 0.05 0.41 0.00 0.09 -0.54 0.00 0.00 175.26 175.26 2jwe n ASN 55 N 0.83 -5.26 -2.95 -1.70 4.13 0.36 -4.95 115.26 105.71 2jwe n ASN 55 Ca -0.02 0.16 -0.07 0.00 1.68 0.00 0.00 54.58 56.33 2jwe n ASN 55 Cb 0.51 -3.35 0.03 0.00 -1.54 0.00 0.00 39.78 35.42 2jwe n ASN 55 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2jwe n MET 56 N -0.85 0.78 -3.86 3.52 1.56 -1.24 -4.89 117.12 112.13 2jwe n MET 56 Ca -0.07 -1.01 -0.30 0.00 -0.27 0.00 0.00 57.70 56.05 2jwe n MET 56 Cb 0.46 -0.11 -0.04 0.00 2.15 0.00 0.00 33.22 35.69 2jwe n MET 56 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2jwe s SER 57 N -2.22 6.38 0.53 6.12 0.15 -1.26 -4.95 113.70 118.44 2jwe s SER 57 Ca 0.21 0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.39 2jwe s SER 57 Cb -0.02 -1.98 1.36 0.00 -1.71 0.00 0.00 66.02 63.68 2jwe s SER 57 CO 0.13 0.11 2.05 0.25 1.20 0.00 0.00 173.24 176.98 2jwe h LEU 58 N 2.76 0.00 -0.79 3.45 5.85 -1.98 -0.14 115.31 124.46 2jwe h LEU 58 Ca -0.46 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 2jwe h LEU 58 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2jwe h LEU 58 CO 0.73 0.00 -0.15 0.74 -0.34 0.00 0.00 178.44 179.42 2jwe h THR 59 N 0.00 1.26 -0.57 1.05 2.02 -2.00 -3.01 112.91 111.66 2jwe h THR 59 Ca 0.16 -1.22 0.05 0.00 0.77 0.00 0.00 66.41 66.17 2jwe h THR 59 Cb 0.63 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 2jwe h THR 59 CO -0.00 0.41 0.29 -0.78 0.37 0.00 0.00 175.52 175.81 2jwe h ASP 60 N 0.67 0.41 -0.99 4.18 1.82 -1.41 -1.38 116.42 119.72 2jwe h ASP 60 Ca 0.11 0.03 0.08 0.00 -0.39 0.00 0.00 57.03 56.86 2jwe h ASP 60 Cb 0.63 -0.04 -0.07 0.00 0.68 0.00 0.00 39.33 40.53 2jwe h ASP 60 CO 0.04 0.27 0.64 0.00 -1.61 0.00 0.00 179.24 178.58 2jwe h ALA 61 N 1.31 1.46 -0.37 -0.78 0.00 -1.51 -0.75 119.26 118.63 2jwe h ALA 61 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jwe h ALA 61 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jwe h ALA 61 CO -0.18 0.36 -0.10 0.87 0.00 0.00 0.00 179.25 180.21 2jwe h LYS 62 N 1.10 0.64 -0.24 0.00 1.57 -1.26 -2.89 116.57 115.49 2jwe h LYS 62 Ca 0.44 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2jwe h LYS 62 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2jwe h LYS 62 CO -0.19 0.73 0.07 1.15 -0.57 0.00 0.00 179.45 180.63 2jwe h THR 63 N 0.59 1.20 -0.83 -0.16 2.02 -0.29 0.27 112.91 115.71 2jwe h THR 63 Ca 0.11 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.74 2jwe h THR 63 Cb 0.52 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 2jwe h THR 63 CO 0.03 0.20 0.54 -0.07 0.37 0.00 0.00 175.52 176.59 2jwe h LEU 64 N 0.21 0.71 -0.31 2.58 3.38 -1.26 0.11 115.31 120.74 2jwe h LEU 64 Ca 0.08 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 2jwe h LEU 64 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jwe h LEU 64 CO -0.00 0.43 -0.85 0.40 0.09 0.00 0.00 178.44 178.51 2jwe h ILE 65 N 0.79 1.60 0.10 1.22 2.04 -1.29 -2.86 117.51 119.11 2jwe h ILE 65 Ca 0.38 -2.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.35 2jwe h ILE 65 Cb 0.41 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2jwe h ILE 65 CO -0.15 0.83 -0.05 -0.08 0.00 0.00 0.00 178.15 178.70 2jwe h GLU 66 N 0.00 -0.13 -0.31 2.37 4.81 0.93 -3.20 114.58 119.05 2jwe h GLU 66 Ca -0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jwe h GLU 66 Cb 1.49 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 2jwe h GLU 66 CO 0.11 0.33 0.19 -0.09 -0.73 0.00 0.00 179.01 178.82 2jwe h ARG 67 N -0.66 0.41 -6.19 1.92 9.65 -0.97 -3.42 114.38 115.13 2jwe h ARG 67 Ca -0.01 -0.03 -0.57 0.00 -1.10 0.00 0.00 59.98 58.26 2jwe h ARG 67 Cb 0.52 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.02 2jwe h ARG 67 CO 0.02 0.29 1.32 0.43 2.80 0.00 0.00 179.97 184.83 2jwe n SER 68 N -4.47 3.61 -3.32 -3.80 7.64 -1.08 -4.91 113.62 107.29 2jwe n SER 68 Ca 0.02 0.64 -0.27 0.00 1.01 0.00 0.00 58.87 60.27 2jwe n SER 68 Cb 0.08 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.72 2jwe n SER 68 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jwe n LYS 69 N 7.86 2.60 0.00 1.43 2.85 -1.26 -4.96 118.16 126.67 2jwe n LYS 69 Ca 0.25 -4.66 0.00 0.00 -1.05 0.00 0.00 58.31 52.86 2jwe n LYS 69 Cb 0.39 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.55 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 0.66 1.12 3.58 2.58 0.00 -1.26 -5.06 105.19 106.81 2jwe n GLY 70 Ca 0.30 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2jwe n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jwe s LYS 71 N 0.00 3.77 0.05 1.61 2.20 -1.26 -5.05 119.74 121.06 2jwe s LYS 71 Ca 0.00 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.79 2jwe s LYS 71 Cb 0.00 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2jwe s LYS 71 CO 0.00 -0.70 0.22 -1.17 -0.36 0.00 0.00 175.35 173.34 2jwe s LEU 72 N 2.74 4.36 -0.04 5.43 0.20 -1.26 -5.02 118.68 125.08 2jwe s LEU 72 Ca 0.26 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.43 2jwe s LEU 72 Cb -0.14 -2.91 -0.00 0.00 -0.43 0.00 0.00 46.19 42.70 2jwe s LEU 72 CO 0.14 0.18 -0.17 -0.75 -0.29 0.00 0.00 176.35 175.46 2jwe s LYS 73 N -2.40 1.79 -0.13 1.98 2.20 -1.26 -5.00 119.74 116.92 2jwe s LYS 73 Ca 0.34 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 2jwe s LYS 73 Cb -0.13 -1.55 0.06 0.00 -1.51 0.00 0.00 37.83 34.70 2jwe s LYS 73 CO 0.26 0.23 0.28 -1.64 -0.36 0.00 0.00 175.35 174.13 2jwe s MET 74 N 0.06 0.21 -0.21 4.03 -1.94 -1.26 0.59 119.30 120.79 2jwe s MET 74 Ca -0.04 0.69 -0.12 0.00 -1.71 0.00 0.00 55.69 54.50 2jwe s MET 74 Cb -0.12 -0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.63 2jwe s MET 74 CO 0.02 -0.22 0.22 0.08 -0.01 0.00 0.00 175.02 175.11 2jwe s VAL 75 N 1.85 5.34 0.33 -6.03 1.01 0.96 -4.97 120.40 118.88 2jwe s VAL 75 Ca -0.05 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2jwe s VAL 75 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2jwe s VAL 75 CO -0.09 0.36 0.14 -0.69 0.00 0.00 0.00 175.10 174.82 2jwe s VAL 76 N 0.78 3.13 -0.27 2.92 1.01 -1.26 0.49 120.40 127.20 2jwe s VAL 76 Ca 0.11 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 2jwe s VAL 76 Cb -0.13 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2jwe s VAL 76 CO 0.03 -0.20 0.48 -1.10 0.00 0.00 0.00 175.10 174.31 2jwe s GLN 77 N -3.84 4.04 0.45 2.72 -0.21 -1.19 -4.85 119.66 116.78 2jwe s GLN 77 Ca 0.37 0.24 0.08 0.00 0.02 0.00 0.00 55.36 56.07 2jwe s GLN 77 Cb -0.03 -3.66 0.01 0.00 1.00 0.00 0.00 33.01 30.33 2jwe s GLN 77 CO 0.23 -0.34 0.49 0.50 -2.12 0.00 0.00 175.29 174.05 2jwe s ARG 78 N 2.26 2.58 0.94 2.91 3.52 -1.26 -4.93 118.95 124.97 2jwe s ARG 78 Ca 0.20 -1.49 -0.12 0.00 -0.13 0.00 0.00 55.73 54.19 2jwe s ARG 78 Cb -0.16 -2.51 0.09 0.00 -1.56 0.00 0.00 34.95 30.81 2jwe s ARG 78 CO 0.09 -0.34 0.74 -0.25 -0.81 0.00 0.00 175.30 174.74 2jwe n ASP 79 N -1.75 -0.99 -4.01 -2.12 9.92 -1.26 -5.00 116.55 111.34 2jwe n ASP 79 Ca 0.06 0.36 -0.30 0.00 -0.53 0.00 0.00 54.79 54.38 2jwe n ASP 79 Cb 0.61 -1.33 0.21 0.00 -0.64 0.00 0.00 41.12 39.97 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2jwe s GLU 80 N -4.10 -0.22 -0.10 -1.24 2.02 -1.26 -5.06 118.70 108.74 2jwe s GLU 80 Ca 0.62 -0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.27 2jwe s GLU 80 Cb -0.22 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2jwe s GLU 80 CO 0.63 -3.02 -0.22 1.28 0.02 0.00 0.00 175.26 173.95 2jwe n LEU 81 N -4.24 1.41 0.00 1.80 4.77 -1.26 -5.34 117.00 114.15 2jwe n LEU 81 Ca 0.14 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2jwe n LEU 81 Cb 0.59 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2jwe n LEU 81 CO 0.46 -0.40 0.00 -0.62 -1.33 0.00 0.00 177.39 175.50