#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 1.47 -0.22 -0.78 1.02 -1.26 -5.13 119.74 114.84 2jwe s LYS 2 Ca 0.00 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 2jwe s LYS 2 Cb 0.00 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 2jwe s LYS 2 CO 0.00 0.13 0.09 0.08 -0.92 0.00 0.00 175.35 174.73 2jwe s VAL 3 N 0.30 4.81 -0.26 3.17 1.01 -1.26 -5.07 120.40 123.09 2jwe s VAL 3 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jwe s VAL 3 Cb -0.12 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.13 2jwe s VAL 3 CO 0.02 0.39 0.02 -0.89 0.00 0.00 0.00 175.10 174.65 2jwe s THR 4 N 0.90 1.19 0.16 3.92 2.01 -1.26 -5.13 115.64 117.44 2jwe s THR 4 Ca 0.05 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.83 2jwe s THR 4 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2jwe s THR 4 CO 0.03 -0.35 0.22 -0.76 -0.69 0.00 0.00 174.62 173.07 2jwe s LEU 5 N 1.51 4.11 -0.33 4.42 1.43 -1.26 -5.10 118.68 123.45 2jwe s LEU 5 Ca 0.02 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2jwe s LEU 5 Cb -0.18 -2.69 0.10 0.00 0.03 0.00 0.00 46.19 43.45 2jwe s LEU 5 CO -0.13 0.05 0.08 -0.69 0.23 0.00 0.00 176.35 175.89 2jwe s VAL 6 N -1.77 1.71 -0.06 -1.59 1.01 -1.26 -5.10 120.40 113.34 2jwe s VAL 6 Ca 0.33 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 2jwe s VAL 6 Cb -0.10 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2jwe s VAL 6 CO 0.26 -0.64 0.94 -0.75 0.00 0.00 0.00 175.10 174.91 2jwe s LYS 7 N 1.15 4.48 -0.22 2.72 2.20 -1.26 -5.04 119.74 123.77 2jwe s LYS 7 Ca 0.11 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2jwe s LYS 7 Cb -0.19 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2jwe s LYS 7 CO -0.15 -0.14 -0.13 -1.12 -0.36 0.00 0.00 175.35 173.45 2jwe s SER 8 N 1.02 3.80 0.30 1.43 0.01 -1.26 -5.05 113.70 113.96 2jwe s SER 8 Ca 0.48 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2jwe s SER 8 Cb -0.19 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2jwe s SER 8 CO 0.22 -0.07 0.00 0.54 0.41 0.00 0.00 173.24 174.34 2jwe n ARG 9 N 4.62 -2.13 -1.19 12.44 3.00 -1.26 -4.12 116.66 128.01 2jwe n ARG 9 Ca -0.18 1.40 -0.21 0.00 -0.01 0.00 0.00 57.85 58.86 2jwe n ARG 9 Cb 0.48 -2.60 0.20 0.00 0.00 0.00 0.00 32.46 30.54 2jwe n ARG 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2jwe n LYS 10 N -3.42 2.46 -0.10 5.56 2.85 -1.26 -4.30 118.16 119.96 2jwe n LYS 10 Ca 0.01 -3.03 -0.13 0.00 -1.05 0.00 0.00 58.31 54.11 2jwe n LYS 10 Cb 0.48 -2.18 -0.12 0.00 -0.65 0.00 0.00 35.03 32.57 2jwe n LYS 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2jwe n ASN 11 N -1.00 1.55 -4.04 -5.58 4.13 -1.26 -4.88 115.26 104.19 2jwe n ASN 11 Ca 0.56 -0.07 -0.31 0.00 1.68 0.00 0.00 54.58 56.44 2jwe n ASN 11 Cb 1.62 0.17 -0.15 0.00 -1.54 0.00 0.00 39.78 39.88 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 -2.45 1.83 0.65 3.52 2.02 -1.26 -5.11 118.70 117.90 2jwe s GLU 12 Ca -0.22 -1.60 -0.05 0.00 0.02 0.00 0.00 54.97 53.12 2jwe s GLU 12 Cb 0.07 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.31 2jwe s GLU 12 CO 0.61 -0.76 0.94 -1.21 0.02 0.00 0.00 175.26 174.87 2jwe s GLU 13 N 1.02 2.44 0.53 1.61 0.41 -1.26 -4.37 118.70 119.08 2jwe s GLU 13 Ca 0.01 -0.29 0.22 0.00 -0.41 0.00 0.00 54.97 54.50 2jwe s GLU 13 Cb -0.19 -2.25 1.43 0.00 -1.78 0.00 0.00 34.13 31.33 2jwe s GLU 13 CO -0.07 -1.00 2.15 1.88 -0.49 0.00 0.00 175.26 177.72 2jwe h TYR 14 N -0.37 0.00 -4.38 1.61 0.05 -1.99 -3.46 116.97 108.43 2jwe h TYR 14 Ca -0.44 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 57.97 2jwe h TYR 14 Cb 1.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 2jwe h TYR 14 CO 0.38 0.05 -0.53 0.41 -1.05 0.00 0.00 178.16 177.42 2jwe n GLY 15 N -1.25 -0.51 3.37 3.88 0.00 -1.26 -4.96 105.19 104.47 2jwe n GLY 15 Ca -0.03 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.33 3.82 -0.42 0.99 0.05 -1.26 -5.05 118.68 110.48 2jwe s LEU 16 Ca 0.22 -0.62 -0.28 0.00 0.05 0.00 0.00 54.13 53.50 2jwe s LEU 16 Cb -0.11 -1.90 -0.00 0.00 -2.05 0.00 0.00 46.19 42.13 2jwe s LEU 16 CO 0.27 -0.17 1.58 -0.13 -0.55 0.00 0.00 176.35 177.36 2jwe s ARG 17 N 1.53 3.37 -0.19 1.48 1.81 -1.26 -4.98 118.95 120.70 2jwe s ARG 17 Ca 0.03 1.01 -0.13 0.00 -1.72 0.00 0.00 55.73 54.91 2jwe s ARG 17 Cb -0.17 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.16 2jwe s ARG 17 CO 0.03 -1.82 0.29 -1.17 -0.68 0.00 0.00 175.30 171.94 2jwe s LEU 18 N 6.35 4.18 0.19 2.53 1.98 -1.26 -5.08 118.68 127.57 2jwe s LEU 18 Ca 0.67 0.40 0.02 0.00 -2.89 0.00 0.00 54.13 52.33 2jwe s LEU 18 Cb -0.16 -2.34 -0.05 0.00 0.66 0.00 0.00 46.19 44.30 2jwe s LEU 18 CO 0.31 0.04 0.02 0.00 -1.89 0.00 0.00 176.35 174.83 2jwe s ALA 19 N 0.86 1.40 0.17 5.97 0.00 -1.26 -5.08 121.76 123.82 2jwe s ALA 19 Ca 0.15 -1.64 0.11 0.00 0.00 0.00 0.00 51.96 50.57 2jwe s ALA 19 Cb -0.13 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2jwe s ALA 19 CO 0.05 -0.36 -0.23 -1.54 0.00 0.00 0.00 175.76 173.68 2jwe s SER 20 N -3.20 3.49 0.51 0.00 1.04 -1.26 -4.93 113.70 109.36 2jwe s SER 20 Ca 0.27 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.94 2jwe s SER 20 Cb 0.06 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2jwe s SER 20 CO 0.06 0.14 0.08 -1.00 0.98 0.00 0.00 173.24 173.50 2jwe s HIS 21 N -1.45 1.89 -0.06 5.02 3.76 -1.26 0.14 115.29 123.32 2jwe s HIS 21 Ca 0.19 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 2jwe s HIS 21 Cb -0.09 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2jwe s HIS 21 CO 0.09 0.11 -0.06 0.42 -0.85 0.00 0.00 174.74 174.46 2jwe s ILE 22 N -2.84 0.69 0.37 0.60 -1.09 -1.26 -4.88 121.20 112.79 2jwe s ILE 22 Ca 0.14 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 2jwe s ILE 22 Cb 0.02 -0.71 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 2jwe s ILE 22 CO 0.08 0.27 0.10 0.72 -1.23 0.00 0.00 174.94 174.89 2jwe s PHE 23 N 1.15 1.82 -0.39 3.97 -0.71 -1.26 -0.01 117.98 122.54 2jwe s PHE 23 Ca -0.07 -1.17 -0.16 0.00 -1.04 0.00 0.00 56.93 54.50 2jwe s PHE 23 Cb -0.14 -1.17 0.01 0.00 -1.21 0.00 0.00 43.02 40.50 2jwe s PHE 23 CO -0.01 -0.20 0.35 0.08 -1.34 0.00 0.00 175.22 174.10 2jwe s VAL 24 N -3.29 5.18 0.23 -2.49 1.01 0.91 -4.86 120.40 117.09 2jwe s VAL 24 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2jwe s VAL 24 Cb 0.05 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2jwe s VAL 24 CO 0.15 -0.26 1.65 0.50 0.00 0.00 0.00 175.10 177.13 2jwe h LYS 25 N 8.61 0.71 -2.06 2.72 1.63 -1.91 -1.27 116.57 125.00 2jwe h LYS 25 Ca -0.28 -0.28 0.29 0.00 -0.85 0.00 0.00 60.65 59.53 2jwe h LYS 25 Cb 1.13 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 2jwe h LYS 25 CO 0.73 0.88 0.79 -1.21 -3.45 0.00 0.00 179.45 177.19 2jwe s GLU 26 N -4.58 0.64 -0.02 1.90 2.02 -1.26 -4.65 118.70 112.74 2jwe s GLU 26 Ca -0.09 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2jwe s GLU 26 Cb 0.13 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.56 2jwe s GLU 26 CO 0.83 -0.30 0.05 0.42 0.02 0.00 0.00 175.26 176.28 2jwe s ILE 27 N -2.21 -0.02 0.61 -1.63 1.09 -1.26 -4.93 121.20 112.85 2jwe s ILE 27 Ca 0.23 0.07 -0.17 0.00 -1.10 0.00 0.00 60.65 59.68 2jwe s ILE 27 Cb 0.00 -0.08 -0.02 0.00 -1.06 0.00 0.00 42.46 41.30 2jwe s ILE 27 CO 0.00 0.03 1.14 -0.44 -0.10 0.00 0.00 174.94 175.57 2jwe s SER 28 N 0.40 5.27 0.33 3.58 0.01 -1.26 -5.01 113.70 117.02 2jwe s SER 28 Ca -0.03 2.15 -0.26 0.00 1.31 0.00 0.00 55.95 59.12 2jwe s SER 28 Cb -0.05 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 2jwe s SER 28 CO -0.01 -1.52 0.97 -1.10 0.41 0.00 0.00 173.24 171.98 2jwe s GLN 29 N -3.66 4.55 -1.52 12.44 -0.21 -1.26 -3.57 119.66 126.43 2jwe s GLN 29 Ca 0.71 1.39 -0.02 0.00 0.02 0.00 0.00 55.36 57.46 2jwe s GLN 29 Cb -0.24 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 30.96 2jwe s GLN 29 CO 0.35 0.23 0.24 -0.25 -2.12 0.00 0.00 175.29 173.74 2jwe n ASP 30 N 0.57 -5.36 -4.51 5.90 8.00 -1.26 -4.98 116.55 114.91 2jwe n ASP 30 Ca 0.02 -0.09 -0.17 0.00 0.71 0.00 0.00 54.79 55.26 2jwe n ASP 30 Cb 0.49 -4.42 0.06 0.00 -0.02 0.00 0.00 41.12 37.23 2jwe n ASP 30 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jwe n SER 31 N -2.16 1.79 -0.07 -2.24 3.41 -1.23 -4.95 113.62 108.16 2jwe n SER 31 Ca -0.16 -2.31 0.03 0.00 -0.26 0.00 0.00 58.87 56.17 2jwe n SER 31 Cb 0.64 -0.37 0.37 0.00 -0.26 0.00 0.00 64.21 64.58 2jwe n SER 31 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jwe h LEU 32 N 0.00 0.60 -0.44 1.04 3.38 -1.93 -2.14 115.31 115.81 2jwe h LEU 32 Ca -0.23 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 2jwe h LEU 32 Cb 1.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jwe h LEU 32 CO 0.33 0.43 -0.44 0.00 0.09 0.00 0.00 178.44 178.86 2jwe h ALA 33 N 1.67 0.62 -0.73 1.53 0.00 -1.95 -1.70 119.26 118.71 2jwe h ALA 33 Ca 0.19 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2jwe h ALA 33 Cb -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2jwe h ALA 33 CO -0.04 0.67 0.48 0.00 0.00 0.00 0.00 179.25 180.36 2jwe h ALA 34 N 0.84 0.92 -0.13 0.00 0.00 -1.65 0.53 119.26 119.78 2jwe h ALA 34 Ca 0.04 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2jwe h ALA 34 Cb 1.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jwe h ALA 34 CO 0.10 0.35 -0.63 -0.09 0.00 0.00 0.00 179.25 178.98 2jwe h ARG 35 N 0.99 0.46 -0.13 0.00 1.12 -1.43 -3.21 114.38 112.18 2jwe h ARG 35 Ca 0.27 -0.32 -0.21 0.00 -1.11 0.00 0.00 59.98 58.60 2jwe h ARG 35 Cb -0.11 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2jwe h ARG 35 CO -0.06 0.94 -0.75 0.22 -3.11 0.00 0.00 179.97 177.21 2jwe h ASP 36 N 0.34 0.78 -3.84 -3.80 3.58 -0.82 -3.48 116.42 109.19 2jwe h ASP 36 Ca -0.01 -0.51 -0.35 0.00 0.42 0.00 0.00 57.03 56.58 2jwe h ASP 36 Cb 1.18 -0.23 0.05 0.00 1.72 0.00 0.00 39.33 42.04 2jwe h ASP 36 CO 0.11 1.29 -0.52 0.61 -2.88 0.00 0.00 179.24 177.85 2jwe n GLY 37 N 0.64 -0.35 0.03 -0.78 0.00 0.18 -4.90 105.19 100.01 2jwe n GLY 37 Ca -0.06 -0.00 -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 -1.89 3.08 -4.57 1.61 3.02 -1.26 -5.00 115.26 110.26 2jwe n ASN 38 Ca -0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.10 2jwe n ASN 38 Cb 0.61 0.88 -0.11 0.00 -0.61 0.00 0.00 39.78 40.55 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 -2.30 4.15 0.11 2.41 1.01 -1.26 -5.03 121.20 120.29 2jwe s ILE 39 Ca -0.04 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2jwe s ILE 39 Cb 0.03 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2jwe s ILE 39 CO 0.33 0.52 -0.08 -1.10 0.00 0.00 0.00 174.94 174.61 2jwe s GLN 40 N 0.02 0.91 0.04 2.79 -0.21 -1.26 -4.88 119.66 117.06 2jwe s GLN 40 Ca 0.02 -1.37 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 2jwe s GLN 40 Cb -0.13 -0.34 -0.09 0.00 1.00 0.00 0.00 33.01 33.45 2jwe s GLN 40 CO 0.02 0.01 1.95 -1.21 -2.12 0.00 0.00 175.29 173.95 2jwe s GLU 41 N -3.79 4.14 0.00 2.91 8.01 -1.26 -1.37 118.70 127.34 2jwe s GLU 41 Ca 0.13 2.60 0.00 0.00 0.01 0.00 0.00 54.97 57.71 2jwe s GLU 41 Cb 0.04 -4.15 0.00 0.00 -4.31 0.00 0.00 34.13 25.72 2jwe s GLU 41 CO -0.03 -0.95 0.00 0.41 0.01 0.00 0.00 175.26 174.70 2jwe n GLY 42 N 4.52 2.26 3.63 -1.39 0.00 -0.48 -5.05 105.19 108.69 2jwe n GLY 42 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 1.49 -4.42 1.61 9.92 -0.47 -4.64 116.55 120.04 2jwe n ASP 43 Ca 0.00 1.01 -0.35 0.00 -0.53 0.00 0.00 54.79 54.92 2jwe n ASP 43 Cb 0.00 -1.40 -0.13 0.00 -0.64 0.00 0.00 41.12 38.95 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 3.95 -0.12 2.53 1.01 -1.26 -0.06 120.40 125.14 2jwe s VAL 44 Ca 0.65 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 2jwe s VAL 44 Cb -0.52 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2jwe s VAL 44 CO 0.55 0.40 0.42 -0.69 0.00 0.00 0.00 175.10 175.79 2jwe s VAL 45 N 1.27 5.21 -0.27 2.92 1.01 0.99 -2.33 120.40 129.20 2jwe s VAL 45 Ca 0.04 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 2jwe s VAL 45 Cb -0.15 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 2jwe s VAL 45 CO 0.01 0.36 -0.30 -0.11 0.00 0.00 0.00 175.10 175.06 2jwe n LEU 46 N 3.53 2.44 -4.07 3.92 -0.00 0.16 -4.13 117.00 118.86 2jwe n LEU 46 Ca -0.09 0.11 -0.11 0.00 -0.00 0.00 0.00 56.01 55.93 2jwe n LEU 46 Cb 0.52 -0.86 -0.11 0.00 -0.00 0.00 0.00 43.42 42.97 2jwe n LEU 46 CO 0.42 0.75 -0.38 -0.54 -0.00 0.00 0.00 177.39 177.64 2jwe s LYS 47 N -2.51 0.54 -0.06 1.96 1.02 -1.16 -2.35 119.74 117.18 2jwe s LYS 47 Ca -0.37 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 54.71 2jwe s LYS 47 Cb 0.12 -0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.36 2jwe s LYS 47 CO 0.54 -0.01 0.02 0.42 -0.92 0.00 0.00 175.35 175.40 2jwe s ILE 48 N -2.21 0.23 -1.50 2.17 1.01 0.20 -0.38 121.20 120.72 2jwe s ILE 48 Ca -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2jwe s ILE 48 Cb -0.04 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2jwe s ILE 48 CO -0.02 0.23 0.60 -3.20 0.00 0.00 0.00 174.94 172.55 2jwe n ASN 49 N 5.11 -5.65 -0.44 3.58 2.85 0.24 -1.78 115.26 119.16 2jwe n ASN 49 Ca -0.07 -0.32 -0.03 0.00 -0.11 0.00 0.00 54.58 54.05 2jwe n ASN 49 Cb 0.50 -4.58 0.00 0.00 1.24 0.00 0.00 39.78 36.94 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 -1.47 0.29 2.98 8.20 0.00 -1.26 -5.02 105.19 108.92 2jwe n GLY 50 Ca -0.09 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.27 -0.04 0.42 2.61 2.01 -0.74 -5.15 115.64 112.49 2jwe s THR 51 Ca 0.01 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 2jwe s THR 51 Cb -0.00 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 2jwe s THR 51 CO 0.01 0.06 1.24 -0.69 -0.69 0.00 0.00 174.62 174.56 2jwe s VAL 52 N 1.02 2.81 -0.24 3.82 1.01 -1.26 0.61 120.40 128.17 2jwe s VAL 52 Ca -0.08 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2jwe s VAL 52 Cb -0.10 -3.39 0.44 0.00 0.00 0.00 0.00 36.38 33.34 2jwe s VAL 52 CO -0.06 0.07 1.28 0.41 0.00 0.00 0.00 175.10 176.80 2jwe n THR 53 N -0.06 2.34 -3.29 3.92 -1.04 -0.99 -4.85 114.28 110.31 2jwe n THR 53 Ca 0.05 -3.28 -0.33 0.00 -2.04 0.00 0.00 64.05 58.45 2jwe n THR 53 Cb 0.45 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 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 -3.30 3.93 -1.06 -2.82 2.12 -1.26 -3.93 118.70 112.37 2jwe s GLU 54 Ca 0.41 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2jwe s GLU 54 Cb 0.39 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 32.13 2jwe s GLU 54 CO -0.04 0.30 0.00 0.27 -0.54 0.00 0.00 175.26 175.25 2jwe n ASN 55 N 0.02 -3.73 -4.86 -1.70 0.23 0.12 -4.92 115.26 100.41 2jwe n ASN 55 Ca 0.00 0.25 -0.36 0.00 -0.53 0.00 0.00 54.58 53.94 2jwe n ASN 55 Cb 0.52 -3.14 -0.06 0.00 -2.08 0.00 0.00 39.78 35.03 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2jwe s MET 56 N -2.66 3.75 0.48 -3.83 1.75 -1.25 -4.87 119.30 112.66 2jwe s MET 56 Ca 0.00 0.18 -0.24 0.00 -1.25 0.00 0.00 55.69 54.38 2jwe s MET 56 Cb 0.00 -3.10 -0.07 0.00 2.84 0.00 0.00 34.83 34.49 2jwe s MET 56 CO 0.00 0.64 1.39 0.43 -0.65 0.00 0.00 175.02 176.83 2jwe n SER 57 N 1.34 3.01 -0.17 1.11 7.64 -1.26 -4.85 113.62 120.44 2jwe n SER 57 Ca -0.12 1.07 0.19 0.00 1.01 0.00 0.00 58.87 61.03 2jwe n SER 57 Cb 0.53 -1.58 0.57 0.00 -1.01 0.00 0.00 64.21 62.71 2jwe n SER 57 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2jwe h LEU 58 N 1.99 0.28 -0.16 -3.43 5.85 -1.97 -0.11 115.31 117.75 2jwe h LEU 58 Ca -0.50 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.04 2jwe h LEU 58 Cb 1.28 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.29 2jwe h LEU 58 CO 0.59 0.13 -0.69 0.74 -0.34 0.00 0.00 178.44 178.87 2jwe h THR 59 N 0.29 1.29 -0.86 1.05 2.02 -2.00 -3.13 112.91 111.57 2jwe h THR 59 Ca 0.39 -1.91 0.09 0.00 0.77 0.00 0.00 66.41 65.76 2jwe h THR 59 Cb 1.10 1.98 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 2jwe h THR 59 CO -0.10 0.60 0.51 -0.78 0.37 0.00 0.00 175.52 176.11 2jwe h ASP 60 N 0.47 0.74 -0.64 4.18 1.82 -1.38 0.02 116.42 121.63 2jwe h ASP 60 Ca -0.04 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jwe h ASP 60 Cb 1.32 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.20 2jwe h ASP 60 CO 0.14 0.43 0.40 0.00 -1.61 0.00 0.00 179.24 178.60 2jwe h ALA 61 N 1.46 1.48 -0.25 -0.78 0.00 -1.44 -1.38 119.26 118.36 2jwe h ALA 61 Ca 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2jwe h ALA 61 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jwe h ALA 61 CO -0.24 0.46 0.04 1.57 0.00 0.00 0.00 179.25 181.07 2jwe h LYS 62 N 0.89 0.36 -0.67 0.00 5.09 -0.95 -2.46 116.57 118.84 2jwe h LYS 62 Ca 0.23 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.88 2jwe h LYS 62 Cb -0.05 -0.07 -0.03 0.00 0.10 0.00 0.00 32.23 32.19 2jwe h LYS 62 CO -0.05 0.36 0.28 1.15 -2.09 0.00 0.00 179.45 179.11 2jwe h THR 63 N 0.36 1.24 -0.63 0.07 2.02 -0.83 -2.17 112.91 112.96 2jwe h THR 63 Ca 0.09 -0.73 0.08 0.00 0.77 0.00 0.00 66.41 66.62 2jwe h THR 63 Cb 0.19 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2jwe h THR 63 CO 0.00 0.29 0.42 -0.07 0.37 0.00 0.00 175.52 176.53 2jwe h LEU 64 N 0.94 0.47 -0.78 2.58 3.38 -1.35 0.15 115.31 120.71 2jwe h LEU 64 Ca 0.22 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 2jwe h LEU 64 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jwe h LEU 64 CO -0.02 0.29 -0.55 0.40 0.09 0.00 0.00 178.44 178.65 2jwe h ILE 65 N 0.53 1.38 0.02 1.22 1.08 -1.37 -2.79 117.51 117.57 2jwe h ILE 65 Ca 0.28 -1.87 -0.11 0.00 -0.39 0.00 0.00 64.86 62.77 2jwe h ILE 65 Cb 0.43 1.95 0.01 0.00 -3.07 0.00 0.00 36.82 36.14 2jwe h ILE 65 CO -0.09 0.55 -0.45 -0.33 -0.69 0.00 0.00 178.15 177.14 2jwe h GLU 66 N 0.13 0.27 -0.49 2.37 5.08 -0.47 -3.26 114.58 118.22 2jwe h GLU 66 Ca -0.00 -0.32 0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2jwe h GLU 66 Cb 1.02 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2jwe h GLU 66 CO 0.08 1.04 0.33 -0.09 -1.00 0.00 0.00 179.01 179.37 2jwe h ARG 67 N -0.36 0.32 -5.93 2.33 2.43 -0.84 -3.38 114.38 108.95 2jwe h ARG 67 Ca -0.06 -0.02 -0.45 0.00 -0.81 0.00 0.00 59.98 58.64 2jwe h ARG 67 Cb 1.22 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2jwe h ARG 67 CO 0.09 0.21 1.18 -1.12 -1.51 0.00 0.00 179.97 178.82 2jwe s SER 68 N -6.42 5.31 -0.64 -3.80 0.01 -1.06 -4.83 113.70 102.29 2jwe s SER 68 Ca -0.07 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 2jwe s SER 68 Cb 0.19 -2.54 0.47 0.00 0.21 0.00 0.00 66.02 64.35 2jwe s SER 68 CO 0.73 -2.43 2.02 1.17 0.41 0.00 0.00 173.24 175.15 2jwe n LYS 69 N 9.10 2.62 0.00 12.44 3.00 -1.26 -4.88 118.16 139.19 2jwe n LYS 69 Ca 0.25 -3.22 0.00 0.00 -0.00 0.00 0.00 58.31 55.34 2jwe n LYS 69 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.27 2jwe n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jwe n GLY 70 N -0.92 -1.38 3.72 3.14 0.00 -1.26 -5.13 105.19 103.36 2jwe n GLY 70 Ca 0.62 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.89 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 0.00 4.49 -0.09 1.61 1.02 -1.26 -5.06 119.74 120.44 2jwe s LYS 71 Ca 0.00 1.08 0.03 0.00 0.02 0.00 0.00 55.97 57.10 2jwe s LYS 71 Cb 0.00 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2jwe s LYS 71 CO 0.00 0.05 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.11 2jwe s LEU 72 N 0.77 2.35 -0.12 3.17 0.20 -1.26 -4.95 118.68 118.84 2jwe s LEU 72 Ca 0.42 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2jwe s LEU 72 Cb -0.19 -1.48 -0.01 0.00 -0.43 0.00 0.00 46.19 44.07 2jwe s LEU 72 CO 0.22 0.20 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.80 2jwe s LYS 73 N 0.10 3.28 -0.04 1.98 1.02 -1.26 -4.99 119.74 119.83 2jwe s LYS 73 Ca -0.09 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2jwe s LYS 73 Cb -0.15 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2jwe s LYS 73 CO 0.06 0.25 0.07 -1.64 -0.92 0.00 0.00 175.35 173.16 2jwe s MET 74 N 0.26 -0.05 -0.30 1.68 -1.94 -1.26 0.79 119.30 118.48 2jwe s MET 74 Ca -0.10 0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 54.09 2jwe s MET 74 Cb -0.16 -0.39 -0.03 0.00 2.01 0.00 0.00 34.83 36.26 2jwe s MET 74 CO 0.06 -0.27 0.28 0.08 -0.01 0.00 0.00 175.02 175.16 2jwe s VAL 75 N 1.80 5.24 0.37 -6.03 1.01 0.49 -4.98 120.40 118.30 2jwe s VAL 75 Ca -0.00 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2jwe s VAL 75 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2jwe s VAL 75 CO -0.03 0.10 0.27 0.68 0.00 0.00 0.00 175.10 176.12 2jwe s VAL 76 N 1.89 3.02 -0.30 2.92 -7.23 -1.26 0.39 120.40 119.82 2jwe s VAL 76 Ca 0.10 -1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2jwe s VAL 76 Cb -0.16 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.72 2jwe s VAL 76 CO 0.11 -0.11 0.13 -1.10 -0.31 0.00 0.00 175.10 173.82 2jwe s GLN 77 N -3.99 3.26 -0.28 4.82 -1.52 -0.98 -4.79 119.66 116.17 2jwe s GLN 77 Ca 0.42 -0.76 -0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2jwe s GLN 77 Cb -0.03 -3.50 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 2jwe s GLN 77 CO 0.26 -0.42 0.11 0.54 -0.25 0.00 0.00 175.29 175.53 2jwe n ARG 78 N 4.94 -2.78 -2.39 2.91 5.12 -1.26 -4.72 116.66 118.48 2jwe n ARG 78 Ca -0.14 2.33 -0.03 0.00 -1.93 0.00 0.00 57.85 58.08 2jwe n ARG 78 Cb 0.49 -4.81 0.07 0.00 -1.16 0.00 0.00 32.46 27.05 2jwe n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2jwe n ASP 79 N 0.39 -1.14 -3.32 0.55 2.03 -1.26 -5.00 116.55 108.79 2jwe n ASP 79 Ca 0.02 -1.86 -0.11 0.00 0.52 0.00 0.00 54.79 53.36 2jwe n ASP 79 Cb 0.09 0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 41.09 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jwe s GLU 80 N 0.09 0.54 0.03 -0.67 0.41 -1.26 -5.00 118.70 112.84 2jwe s GLU 80 Ca 0.08 -0.29 0.01 0.00 -0.41 0.00 0.00 54.97 54.36 2jwe s GLU 80 Cb 0.25 -0.43 -0.00 0.00 -1.78 0.00 0.00 34.13 32.16 2jwe s GLU 80 CO -0.07 -1.11 0.02 1.28 -0.49 0.00 0.00 175.26 174.90 2jwe n LEU 81 N 4.84 0.00 0.00 1.80 7.99 -1.26 -5.28 117.00 125.09 2jwe n LEU 81 Ca 0.05 -0.28 0.08 0.00 -0.01 0.00 0.00 56.01 55.85 2jwe n LEU 81 Cb 0.49 0.14 0.50 0.00 -0.11 0.00 0.00 43.42 44.44 2jwe n LEU 81 CO 0.02 -0.05 0.71 -0.62 -1.51 0.00 0.00 177.39 175.94