#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 3.49 -0.13 -2.82 2.20 -1.26 -5.10 119.74 116.12 2jwe s LYS 2 Ca 0.00 -0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2jwe s LYS 2 Cb 0.00 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 2jwe s LYS 2 CO 0.00 0.00 -0.09 0.08 -0.36 0.00 0.00 175.35 174.98 2jwe s VAL 3 N 0.97 3.42 -0.17 4.02 1.01 -1.26 -5.10 120.40 123.28 2jwe s VAL 3 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2jwe s VAL 3 Cb -0.15 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2jwe s VAL 3 CO 0.01 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 2jwe s THR 4 N 0.19 1.12 0.21 3.92 2.01 -1.26 -5.13 115.64 116.70 2jwe s THR 4 Ca -0.05 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.37 2jwe s THR 4 Cb -0.15 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2jwe s THR 4 CO 0.04 0.13 0.13 -0.76 -0.69 0.00 0.00 174.62 173.47 2jwe s LEU 5 N 1.63 3.69 -0.31 4.42 2.01 -1.26 -5.11 118.68 123.74 2jwe s LEU 5 Ca 0.01 -0.26 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2jwe s LEU 5 Cb -0.15 -2.26 0.10 0.00 0.01 0.00 0.00 46.19 43.88 2jwe s LEU 5 CO -0.08 0.02 0.09 -0.69 1.01 0.00 0.00 176.35 176.70 2jwe s VAL 6 N -1.96 1.11 -0.02 -1.59 1.01 -1.26 -5.11 120.40 112.59 2jwe s VAL 6 Ca 0.31 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 2jwe s VAL 6 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2jwe s VAL 6 CO 0.23 -0.66 1.16 -0.75 0.00 0.00 0.00 175.10 175.09 2jwe s LYS 7 N 1.50 4.40 -0.08 2.72 2.20 -1.26 -5.03 119.74 124.18 2jwe s LYS 7 Ca 0.10 1.66 -0.02 0.00 -0.36 0.00 0.00 55.97 57.35 2jwe s LYS 7 Cb -0.18 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 2jwe s LYS 7 CO -0.22 -0.34 0.02 -1.12 -0.36 0.00 0.00 175.35 173.33 2jwe s SER 8 N 1.28 5.36 -1.18 1.43 0.01 -1.25 -5.02 113.70 114.34 2jwe s SER 8 Ca 0.56 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.92 2jwe s SER 8 Cb -0.25 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.45 2jwe s SER 8 CO 0.25 0.37 2.76 0.54 0.41 0.00 0.00 173.24 177.57 2jwe n ARG 9 N 2.04 3.76 0.00 12.44 1.74 -1.26 -4.23 116.66 131.16 2jwe n ARG 9 Ca -0.18 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 2jwe n ARG 9 Cb 0.54 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 2jwe n ARG 9 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jwe n LYS 10 N 2.30 0.00 -2.69 5.56 4.81 -1.26 -5.05 118.16 121.83 2jwe n LYS 10 Ca 0.64 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 58.04 2jwe n LYS 10 Cb 0.35 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.52 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jwe n ASN 11 N -0.92 -1.34 -3.61 3.14 4.13 -1.26 -5.08 115.26 110.31 2jwe n ASN 11 Ca 0.00 -2.31 -0.29 0.00 1.68 0.00 0.00 54.58 53.66 2jwe n ASN 11 Cb 0.00 0.69 -0.15 0.00 -1.54 0.00 0.00 39.78 38.78 2jwe n ASN 11 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jwe s GLU 12 N -0.19 0.34 0.47 3.52 2.02 -1.26 -5.12 118.70 118.48 2jwe s GLU 12 Ca 0.15 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2jwe s GLU 12 Cb 0.43 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 33.15 2jwe s GLU 12 CO -0.10 -0.94 0.69 -1.21 0.02 0.00 0.00 175.26 173.71 2jwe s GLU 13 N 1.97 2.93 0.22 1.61 2.02 -1.26 -3.74 118.70 122.45 2jwe s GLU 13 Ca 0.07 -0.60 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 2jwe s GLU 13 Cb -0.16 -2.56 0.23 0.00 0.10 0.00 0.00 34.13 31.74 2jwe s GLU 13 CO -0.28 -0.36 1.86 1.88 0.02 0.00 0.00 175.26 178.37 2jwe h TYR 14 N 0.34 0.93 -6.00 1.61 0.05 -1.99 -3.47 116.97 108.45 2jwe h TYR 14 Ca -0.45 0.02 -0.39 0.00 0.05 0.00 0.00 58.73 57.96 2jwe h TYR 14 Cb 1.26 -0.31 0.08 0.00 1.01 0.00 0.00 36.73 38.78 2jwe h TYR 14 CO 0.43 0.54 -0.84 0.41 -1.05 0.00 0.00 178.16 177.65 2jwe n GLY 15 N -1.31 -0.45 3.04 3.88 0.00 -1.26 -5.00 105.19 104.09 2jwe n GLY 15 Ca 0.09 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.50 1.68 -0.47 0.99 0.05 -1.26 -5.10 118.68 108.06 2jwe s LEU 16 Ca 0.09 -0.42 -0.26 0.00 0.05 0.00 0.00 54.13 53.59 2jwe s LEU 16 Cb -0.02 -1.07 0.03 0.00 -2.05 0.00 0.00 46.19 43.08 2jwe s LEU 16 CO 0.80 -0.00 0.96 -0.13 -0.55 0.00 0.00 176.35 177.43 2jwe s ARG 17 N 1.08 3.54 -0.01 1.48 0.52 -1.26 -5.03 118.95 119.27 2jwe s ARG 17 Ca -0.05 0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 55.27 2jwe s ARG 17 Cb -0.15 -3.93 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 2jwe s ARG 17 CO -0.03 -1.27 0.28 -1.17 0.02 0.00 0.00 175.30 173.13 2jwe s LEU 18 N 3.89 4.39 0.28 2.53 1.98 -1.26 -5.10 118.68 125.39 2jwe s LEU 18 Ca 0.38 0.63 0.01 0.00 -2.89 0.00 0.00 54.13 52.26 2jwe s LEU 18 Cb -0.10 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.16 2jwe s LEU 18 CO 0.27 0.29 0.29 0.00 -1.89 0.00 0.00 176.35 175.31 2jwe s ALA 19 N -1.22 1.20 0.02 5.97 0.00 -1.26 -5.09 121.76 121.38 2jwe s ALA 19 Ca 0.25 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 2jwe s ALA 19 Cb -0.14 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.32 2jwe s ALA 19 CO 0.13 -0.68 0.09 -1.54 0.00 0.00 0.00 175.76 173.76 2jwe s SER 20 N -3.24 0.12 0.47 0.00 1.04 -1.26 -4.99 113.70 105.84 2jwe s SER 20 Ca 0.36 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.47 2jwe s SER 20 Cb 0.03 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2jwe s SER 20 CO 0.19 -0.39 0.07 -1.00 0.98 0.00 0.00 173.24 173.09 2jwe s HIS 21 N -1.74 2.13 -0.02 5.02 3.76 -1.26 -1.22 115.29 121.97 2jwe s HIS 21 Ca -0.12 -0.81 0.04 0.00 -0.15 0.00 0.00 55.06 54.01 2jwe s HIS 21 Cb -0.06 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 2jwe s HIS 21 CO -0.01 0.21 -0.12 0.42 -0.85 0.00 0.00 174.74 174.40 2jwe s ILE 22 N -2.78 0.98 0.30 0.60 -1.09 -1.26 -4.96 121.20 112.99 2jwe s ILE 22 Ca 0.22 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 2jwe s ILE 22 Cb 0.04 -0.83 -0.00 0.00 -1.58 0.00 0.00 42.46 40.09 2jwe s ILE 22 CO 0.12 0.28 0.46 0.72 -1.23 0.00 0.00 174.94 175.29 2jwe s PHE 23 N -0.16 0.78 -0.23 3.97 -0.71 -1.26 -1.31 117.98 119.07 2jwe s PHE 23 Ca 0.02 -1.08 -0.15 0.00 -1.04 0.00 0.00 56.93 54.68 2jwe s PHE 23 Cb -0.06 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 2jwe s PHE 23 CO -0.00 -1.06 0.38 0.08 -1.34 0.00 0.00 175.22 173.27 2jwe s VAL 24 N -3.45 5.20 0.06 -2.49 1.01 0.26 -4.83 120.40 116.17 2jwe s VAL 24 Ca 0.28 0.64 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 2jwe s VAL 24 Cb -0.00 -3.71 -0.23 0.00 0.00 0.00 0.00 36.38 32.44 2jwe s VAL 24 CO 0.15 0.23 1.18 0.50 0.00 0.00 0.00 175.10 177.16 2jwe h LYS 25 N 7.62 0.66 -1.91 2.72 1.63 -1.90 -2.54 116.57 122.85 2jwe h LYS 25 Ca -0.35 -0.70 0.33 0.00 -0.85 0.00 0.00 60.65 59.08 2jwe h LYS 25 Cb 1.16 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.90 2jwe h LYS 25 CO 0.69 1.29 0.86 -2.00 -3.45 0.00 0.00 179.45 176.84 2jwe s GLU 26 N -3.33 0.43 -0.02 1.90 2.12 -1.26 -4.72 118.70 113.81 2jwe s GLU 26 Ca -0.10 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 54.97 2jwe s GLU 26 Cb 0.06 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.60 2jwe s GLU 26 CO 0.90 -0.20 -0.02 0.42 -0.54 0.00 0.00 175.26 175.82 2jwe s ILE 27 N -2.16 0.29 0.33 -3.70 1.09 -1.26 -4.93 121.20 110.86 2jwe s ILE 27 Ca 0.24 -0.06 -0.18 0.00 -1.10 0.00 0.00 60.65 59.55 2jwe s ILE 27 Cb 0.01 -0.32 -0.09 0.00 -1.06 0.00 0.00 42.46 41.00 2jwe s ILE 27 CO -0.01 0.13 0.81 -0.55 -0.10 0.00 0.00 174.94 175.22 2jwe s SER 28 N 0.53 6.92 0.62 3.58 0.15 -1.26 -5.02 113.70 119.21 2jwe s SER 28 Ca -0.06 1.47 -0.15 0.00 0.70 0.00 0.00 55.95 57.91 2jwe s SER 28 Cb -0.09 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2jwe s SER 28 CO -0.01 -0.19 1.08 -1.10 1.20 0.00 0.00 173.24 174.22 2jwe s GLN 29 N -2.77 3.13 -1.58 5.44 1.11 -1.26 -3.45 119.66 120.28 2jwe s GLN 29 Ca 0.54 1.28 -0.03 0.00 0.01 0.00 0.00 55.36 57.16 2jwe s GLN 29 Cb -0.12 -2.00 0.01 0.00 -1.01 0.00 0.00 33.01 29.89 2jwe s GLN 29 CO 0.17 -0.97 0.27 -3.47 0.01 0.00 0.00 175.29 171.31 2jwe n ASP 30 N -2.17 -5.62 -4.73 5.90 -0.08 -1.26 -4.98 116.55 103.61 2jwe n ASP 30 Ca 0.09 -0.12 -0.24 0.00 -1.51 0.00 0.00 54.79 53.01 2jwe n ASP 30 Cb 0.52 -4.62 -0.07 0.00 2.34 0.00 0.00 41.12 39.29 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2jwe s SER 31 N -2.35 4.56 0.25 1.67 0.01 -1.22 -4.99 113.70 111.63 2jwe s SER 31 Ca 0.15 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 2jwe s SER 31 Cb -0.07 -0.63 0.36 0.00 0.21 0.00 0.00 66.02 65.89 2jwe s SER 31 CO 0.18 -0.37 1.86 -0.07 0.41 0.00 0.00 173.24 175.25 2jwe h LEU 32 N 1.52 0.90 -0.32 2.44 3.38 -1.94 0.03 115.31 121.34 2jwe h LEU 32 Ca -0.43 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2jwe h LEU 32 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2jwe h LEU 32 CO 0.65 0.58 -0.02 0.00 0.09 0.00 0.00 178.44 179.74 2jwe h ALA 33 N 1.42 0.43 -0.92 1.53 0.00 -1.96 0.24 119.26 120.00 2jwe h ALA 33 Ca 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jwe h ALA 33 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jwe h ALA 33 CO -0.17 0.21 0.52 0.00 0.00 0.00 0.00 179.25 179.81 2jwe h ALA 34 N 0.83 1.19 -0.07 0.00 0.00 -1.62 -0.35 119.26 119.24 2jwe h ALA 34 Ca 0.09 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2jwe h ALA 34 Cb 0.48 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jwe h ALA 34 CO 0.02 0.67 -0.78 -0.09 0.00 0.00 0.00 179.25 179.07 2jwe h ARG 35 N 1.28 0.65 -0.32 0.00 2.43 -0.90 -3.22 114.38 114.30 2jwe h ARG 35 Ca 0.33 -0.61 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2jwe h ARG 35 Cb -0.00 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2jwe h ARG 35 CO -0.06 1.21 0.10 0.22 -1.51 0.00 0.00 179.97 179.93 2jwe h ASP 36 N 0.30 0.41 -3.08 -3.80 3.58 -0.26 -3.47 116.42 110.11 2jwe h ASP 36 Ca -0.08 -0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.06 2jwe h ASP 36 Cb 1.43 -0.11 0.04 0.00 1.72 0.00 0.00 39.33 42.41 2jwe h ASP 36 CO 0.16 0.41 -0.40 0.61 -2.88 0.00 0.00 179.24 177.13 2jwe n GLY 37 N -1.17 -0.12 0.11 -0.78 0.00 -0.16 -4.92 105.19 98.15 2jwe n GLY 37 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.07 3.25 -4.68 1.61 3.02 -1.25 -5.00 115.26 111.15 2jwe n ASN 38 Ca -0.08 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 2jwe n ASN 38 Cb 0.58 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.10 4.98 0.12 2.41 -1.09 -1.26 -5.06 121.20 119.20 2jwe s ILE 39 Ca -0.07 1.41 0.04 0.00 -2.23 0.00 0.00 60.65 59.80 2jwe s ILE 39 Cb 0.02 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 2jwe s ILE 39 CO 0.11 0.12 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.74 2jwe s GLN 40 N 1.66 0.95 0.05 2.79 1.11 -1.26 -4.80 119.66 120.16 2jwe s GLN 40 Ca 0.34 -1.29 -0.30 0.00 0.01 0.00 0.00 55.36 54.12 2jwe s GLN 40 Cb -0.17 -0.60 -0.09 0.00 -1.01 0.00 0.00 33.01 31.14 2jwe s GLN 40 CO 0.13 0.09 1.95 -1.21 0.01 0.00 0.00 175.29 176.26 2jwe s GLU 41 N -3.20 4.14 0.00 2.91 2.02 -1.26 -1.44 118.70 121.87 2jwe s GLU 41 Ca 0.11 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.71 2jwe s GLU 41 Cb -0.01 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.14 2jwe s GLU 41 CO 0.00 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.75 2jwe n GLY 42 N 4.50 1.54 3.67 -1.39 0.00 -0.96 -5.05 105.19 107.50 2jwe n GLY 42 Ca 0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.74 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 2.98 -4.41 1.61 9.92 -0.52 -4.62 116.55 121.52 2jwe n ASP 43 Ca 0.00 1.06 -0.44 0.00 -0.53 0.00 0.00 54.79 54.87 2jwe n ASP 43 Cb 0.00 -1.37 -0.08 0.00 -0.64 0.00 0.00 41.12 39.03 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 1.90 5.21 0.11 2.53 1.01 -1.26 0.93 120.40 130.82 2jwe s VAL 44 Ca 0.84 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 2jwe s VAL 44 Cb -0.74 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 31.47 2jwe s VAL 44 CO 0.44 -0.55 0.83 -0.69 0.00 0.00 0.00 175.10 175.14 2jwe s VAL 45 N 1.74 4.53 -0.13 2.92 1.01 -0.43 -0.92 120.40 129.12 2jwe s VAL 45 Ca 0.05 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2jwe s VAL 45 Cb -0.23 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2jwe s VAL 45 CO 0.08 0.40 -0.12 -0.11 0.00 0.00 0.00 175.10 175.35 2jwe n LEU 46 N 2.41 2.97 -4.07 3.92 0.00 0.17 -4.13 117.00 118.27 2jwe n LEU 46 Ca -0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 56.01 55.77 2jwe n LEU 46 Cb 0.49 -0.47 -0.12 0.00 0.00 0.00 0.00 43.42 43.32 2jwe n LEU 46 CO 0.48 0.72 -0.41 -0.54 0.00 0.00 0.00 177.39 177.64 2jwe s LYS 47 N -2.27 0.58 -0.16 1.96 1.02 -1.21 -1.43 119.74 118.23 2jwe s LYS 47 Ca -0.18 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.11 2jwe s LYS 47 Cb 0.05 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 36.95 2jwe s LYS 47 CO 0.31 0.09 -0.15 0.42 -0.92 0.00 0.00 175.35 175.10 2jwe s ILE 48 N -1.14 1.69 -1.64 2.17 -1.09 0.19 -0.59 121.20 120.79 2jwe s ILE 48 Ca -0.06 -0.77 -0.20 0.00 -2.23 0.00 0.00 60.65 57.39 2jwe s ILE 48 Cb -0.09 -1.60 0.20 0.00 -1.58 0.00 0.00 42.46 39.39 2jwe s ILE 48 CO 0.01 0.42 0.55 -0.46 -1.23 0.00 0.00 174.94 174.23 2jwe n ASN 49 N 4.72 -1.98 -0.25 3.58 0.23 0.31 -0.58 115.26 121.29 2jwe n ASN 49 Ca -0.17 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 2jwe n ASN 49 Cb 0.49 -1.72 0.00 0.00 -2.08 0.00 0.00 39.78 36.47 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jwe n GLY 50 N -1.04 0.97 3.13 4.83 0.00 -1.26 -5.01 105.19 106.80 2jwe n GLY 50 Ca 0.10 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.50 -0.47 0.34 2.61 2.01 0.25 -5.14 115.64 112.74 2jwe s THR 51 Ca 0.00 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 2jwe s THR 51 Cb 0.00 -0.54 -0.10 0.00 0.01 0.00 0.00 72.50 71.87 2jwe s THR 51 CO 0.00 0.09 1.31 -0.69 -0.69 0.00 0.00 174.62 174.65 2jwe s VAL 52 N 2.39 2.68 -0.16 3.82 1.01 -1.26 0.54 120.40 129.42 2jwe s VAL 52 Ca -0.01 0.67 0.15 0.00 0.00 0.00 0.00 61.98 62.80 2jwe s VAL 52 Cb -0.12 -3.42 0.34 0.00 0.00 0.00 0.00 36.38 33.18 2jwe s VAL 52 CO -0.10 0.15 1.17 0.41 0.00 0.00 0.00 175.10 176.73 2jwe n THR 53 N 0.70 1.92 -3.80 3.92 -1.04 -0.52 -4.88 114.28 110.59 2jwe n THR 53 Ca 0.00 -2.58 -0.32 0.00 -2.04 0.00 0.00 64.05 59.11 2jwe n THR 53 Cb 0.42 -0.19 -0.05 0.00 -1.82 0.00 0.00 70.33 68.69 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 -2.88 3.54 0.00 -2.82 2.12 -1.26 -4.21 118.70 113.19 2jwe s GLU 54 Ca 0.34 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.45 2jwe s GLU 54 Cb 0.31 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.70 2jwe s GLU 54 CO -0.02 0.58 0.00 0.09 -0.54 0.00 0.00 175.26 175.38 2jwe n ASN 55 N 0.52 -0.58 -4.90 -1.70 3.02 -0.36 -4.98 115.26 106.29 2jwe n ASN 55 Ca -0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.28 2jwe n ASN 55 Cb 0.52 -1.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.35 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2jwe s MET 56 N -0.55 2.67 0.42 3.52 -1.94 -1.26 -4.77 119.30 117.39 2jwe s MET 56 Ca 0.00 -1.39 -0.24 0.00 -1.71 0.00 0.00 55.69 52.35 2jwe s MET 56 Cb 0.00 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.26 2jwe s MET 56 CO 0.00 -0.10 1.11 -1.12 -0.01 0.00 0.00 175.02 174.90 2jwe s SER 57 N -4.13 6.51 0.53 3.03 0.01 -1.26 -4.87 113.70 113.51 2jwe s SER 57 Ca 0.47 2.19 0.26 0.00 1.31 0.00 0.00 55.95 60.17 2jwe s SER 57 Cb -0.05 -2.60 1.39 0.00 0.21 0.00 0.00 66.02 64.97 2jwe s SER 57 CO 0.28 -0.68 1.98 0.25 0.41 0.00 0.00 173.24 175.49 2jwe h LEU 58 N 2.36 0.02 -0.55 2.44 5.85 -1.95 -0.46 115.31 123.02 2jwe h LEU 58 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2jwe h LEU 58 Cb 1.23 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2jwe h LEU 58 CO 0.62 0.01 0.32 0.74 -0.34 0.00 0.00 178.44 179.79 2jwe h THR 59 N 0.02 1.17 -0.60 1.05 2.02 -1.98 -0.93 112.91 113.66 2jwe h THR 59 Ca 0.28 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 67.12 2jwe h THR 59 Cb 1.09 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2jwe h THR 59 CO -0.01 0.18 0.26 -0.78 0.37 0.00 0.00 175.52 175.54 2jwe h ASP 60 N 0.74 0.31 -0.82 4.18 1.82 -1.45 0.91 116.42 122.11 2jwe h ASP 60 Ca 0.20 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.87 2jwe h ASP 60 Cb 0.01 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.00 2jwe h ASP 60 CO -0.03 0.19 0.40 0.00 -1.61 0.00 0.00 179.24 178.19 2jwe h ALA 61 N 1.38 1.14 -0.16 -0.78 0.00 -1.42 -1.55 119.26 117.88 2jwe h ALA 61 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jwe h ALA 61 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jwe h ALA 61 CO -0.26 0.65 -0.04 1.57 0.00 0.00 0.00 179.25 181.17 2jwe h LYS 62 N 1.18 0.23 -0.25 0.00 5.09 0.35 -2.41 116.57 120.76 2jwe h LYS 62 Ca 0.29 -0.04 -0.19 0.00 0.09 0.00 0.00 60.65 60.80 2jwe h LYS 62 Cb 0.11 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.40 2jwe h LYS 62 CO -0.04 0.29 -0.59 1.15 -2.09 0.00 0.00 179.45 178.18 2jwe h THR 63 N 0.23 1.28 -0.88 0.07 2.02 0.06 -3.06 112.91 112.63 2jwe h THR 63 Ca 0.05 -1.79 0.12 0.00 0.77 0.00 0.00 66.41 65.57 2jwe h THR 63 Cb 0.22 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.28 2jwe h THR 63 CO 0.01 0.58 0.57 -0.07 0.37 0.00 0.00 175.52 176.97 2jwe h LEU 64 N 0.61 0.71 -0.89 2.58 3.38 -0.87 0.17 115.31 121.00 2jwe h LEU 64 Ca 0.00 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2jwe h LEU 64 Cb 1.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2jwe h LEU 64 CO 0.13 0.39 -0.47 0.40 0.09 0.00 0.00 178.44 178.97 2jwe h ILE 65 N 0.77 1.34 -0.10 1.22 2.04 -1.46 -2.80 117.51 118.51 2jwe h ILE 65 Ca 0.43 -1.67 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 2jwe h ILE 65 Cb 0.58 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2jwe h ILE 65 CO -0.19 0.49 -0.31 -0.33 0.00 0.00 0.00 178.15 177.82 2jwe h GLU 66 N 0.16 0.38 0.00 2.37 4.39 -0.68 -3.12 114.58 118.07 2jwe h GLU 66 Ca 0.01 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2jwe h GLU 66 Cb 0.90 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2jwe h GLU 66 CO 0.07 0.90 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.72 2jwe h ARG 67 N -0.06 0.00 -5.77 2.33 9.65 -0.93 -3.36 114.38 116.23 2jwe h ARG 67 Ca -0.01 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.40 2jwe h ARG 67 Cb 0.93 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.44 2jwe h ARG 67 CO 0.07 0.01 1.35 -1.12 2.80 0.00 0.00 179.97 183.08 2jwe s SER 68 N -6.30 5.82 0.24 -3.80 0.01 -1.06 -4.75 113.70 103.85 2jwe s SER 68 Ca -0.05 -1.55 0.06 0.00 1.31 0.00 0.00 55.95 55.72 2jwe s SER 68 Cb 0.15 -2.58 0.24 0.00 0.21 0.00 0.00 66.02 64.05 2jwe s SER 68 CO 0.57 -2.19 1.55 0.11 0.41 0.00 0.00 173.24 173.69 2jwe h LYS 69 N 9.63 0.17 0.00 12.44 6.56 -1.85 -3.45 116.57 140.07 2jwe h LYS 69 Ca 0.24 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2jwe h LYS 69 Cb 0.96 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 2jwe h LYS 69 CO 1.32 0.75 0.00 0.41 -2.06 0.00 0.00 179.45 179.88 2jwe n GLY 70 N 0.33 0.99 3.81 3.86 0.00 -1.26 -5.09 105.19 107.83 2jwe n GLY 70 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 1.70 3.95 -0.07 1.61 -2.85 -1.26 -5.07 119.74 117.76 2jwe s LYS 71 Ca 0.00 1.27 0.03 0.00 -1.00 0.00 0.00 55.97 56.27 2jwe s LYS 71 Cb 0.00 -2.12 0.01 0.00 -2.06 0.00 0.00 37.83 33.65 2jwe s LYS 71 CO 0.00 -0.29 -0.15 -1.17 0.10 0.00 0.00 175.35 173.84 2jwe s LEU 72 N -3.38 1.77 -0.08 2.77 0.20 -1.26 -4.89 118.68 113.81 2jwe s LEU 72 Ca 0.65 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 55.18 2jwe s LEU 72 Cb -0.14 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.68 2jwe s LEU 72 CO 0.17 0.07 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.54 2jwe s LYS 73 N 0.50 2.78 0.01 1.98 1.02 -1.26 -5.00 119.74 119.76 2jwe s LYS 73 Ca -0.13 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2jwe s LYS 73 Cb -0.15 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2jwe s LYS 73 CO 0.04 0.31 -0.02 -1.64 -0.92 0.00 0.00 175.35 173.12 2jwe s MET 74 N 0.01 0.22 -0.30 1.68 -1.94 -1.26 0.11 119.30 117.82 2jwe s MET 74 Ca -0.08 -0.37 -0.03 0.00 -1.71 0.00 0.00 55.69 53.50 2jwe s MET 74 Cb -0.15 0.00 0.04 0.00 2.01 0.00 0.00 34.83 36.73 2jwe s MET 74 CO 0.05 -0.01 0.01 0.08 -0.01 0.00 0.00 175.02 175.14 2jwe s VAL 75 N -0.82 3.14 0.30 -6.03 1.01 0.25 -4.99 120.40 113.25 2jwe s VAL 75 Ca -0.08 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.69 2jwe s VAL 75 Cb -0.06 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2jwe s VAL 75 CO -0.00 -0.07 0.40 0.68 0.00 0.00 0.00 175.10 176.11 2jwe s VAL 76 N 1.30 4.48 0.24 2.92 -7.23 -1.26 0.46 120.40 121.30 2jwe s VAL 76 Ca -0.04 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2jwe s VAL 76 Cb -0.19 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 2jwe s VAL 76 CO -0.01 -0.23 0.50 -1.10 -0.31 0.00 0.00 175.10 173.95 2jwe s GLN 77 N -4.08 3.64 0.04 4.82 1.11 -0.09 -4.90 119.66 120.21 2jwe s GLN 77 Ca 0.40 -0.01 -0.07 0.00 0.01 0.00 0.00 55.36 55.69 2jwe s GLN 77 Cb -0.09 -2.71 -0.01 0.00 -1.01 0.00 0.00 33.01 29.19 2jwe s GLN 77 CO 0.30 0.31 0.14 0.50 0.01 0.00 0.00 175.29 176.54 2jwe s ARG 78 N -3.21 0.66 0.23 2.91 6.06 -1.26 -4.65 118.95 119.68 2jwe s ARG 78 Ca 0.43 -0.75 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 2jwe s ARG 78 Cb -0.11 0.26 0.00 0.00 0.06 0.00 0.00 34.95 35.16 2jwe s ARG 78 CO 0.27 -0.18 0.00 -3.47 -2.50 0.00 0.00 175.30 169.42 2jwe n ASP 79 N 0.62 -3.83 0.00 -2.12 -0.08 -1.26 -5.08 116.55 104.80 2jwe n ASP 79 Ca -0.18 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2jwe n ASP 79 Cb 0.59 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.61 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2jwe n GLU 80 N -1.41 0.00 -1.05 -0.67 -0.00 -1.26 -5.17 120.64 111.09 2jwe n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2jwe n GLU 80 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.53 2jwe n GLU 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2jwe n LEU 81 N -2.21 -2.68 -0.56 -1.84 4.77 -1.26 -5.37 117.00 107.84 2jwe n LEU 81 Ca 0.00 1.96 0.07 0.00 -0.03 0.00 0.00 56.01 58.01 2jwe n LEU 81 Cb 0.00 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 39.62 2jwe n LEU 81 CO 0.00 0.08 0.47 -0.62 -1.33 0.00 0.00 177.39 175.99