#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 1.22 -0.09 -0.78 2.20 -1.26 -5.14 119.74 115.89 2jwe s LYS 2 Ca 0.00 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2jwe s LYS 2 Cb 0.00 -1.14 -0.01 0.00 -1.51 0.00 0.00 37.83 35.17 2jwe s LYS 2 CO 0.00 0.26 -0.20 0.08 -0.36 0.00 0.00 175.35 175.13 2jwe s VAL 3 N -0.17 2.46 -0.14 4.02 1.01 -1.26 -5.12 120.40 121.21 2jwe s VAL 3 Ca 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2jwe s VAL 3 Cb -0.07 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.39 2jwe s VAL 3 CO 0.00 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 174.71 2jwe s THR 4 N 0.02 1.06 0.20 3.92 2.01 -1.26 -5.14 115.64 116.46 2jwe s THR 4 Ca -0.07 -0.48 0.10 0.00 0.31 0.00 0.00 61.69 61.54 2jwe s THR 4 Cb -0.15 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2jwe s THR 4 CO 0.05 0.23 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.34 2jwe s LEU 5 N 1.67 2.89 -0.30 4.42 1.43 -1.26 -5.12 118.68 122.42 2jwe s LEU 5 Ca 0.03 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2jwe s LEU 5 Cb -0.14 -1.55 0.09 0.00 0.03 0.00 0.00 46.19 44.62 2jwe s LEU 5 CO -0.08 0.08 0.04 -0.69 0.23 0.00 0.00 176.35 175.94 2jwe s VAL 6 N -1.87 1.50 0.30 -1.59 1.01 -1.26 -5.12 120.40 113.38 2jwe s VAL 6 Ca 0.26 -1.66 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 2jwe s VAL 6 Cb -0.08 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 2jwe s VAL 6 CO 0.15 -0.50 0.98 -0.75 0.00 0.00 0.00 175.10 174.98 2jwe s LYS 7 N 1.33 4.62 0.43 2.72 2.20 -1.26 -5.05 119.74 124.73 2jwe s LYS 7 Ca 0.06 1.46 0.04 0.00 -0.36 0.00 0.00 55.97 57.17 2jwe s LYS 7 Cb -0.18 -2.96 0.08 0.00 -1.51 0.00 0.00 37.83 33.26 2jwe s LYS 7 CO -0.14 0.29 0.59 0.45 -0.36 0.00 0.00 175.35 176.18 2jwe n SER 8 N 0.84 1.24 0.39 1.43 2.88 -1.25 -5.04 113.62 114.10 2jwe n SER 8 Ca 0.01 -1.94 -0.18 0.00 -1.33 0.00 0.00 58.87 55.42 2jwe n SER 8 Cb 0.48 -0.34 -0.09 0.00 -0.75 0.00 0.00 64.21 63.51 2jwe n SER 8 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jwe h ARG 9 N 0.00 -0.93 -3.17 -1.46 9.65 -1.97 -3.47 114.38 113.03 2jwe h ARG 9 Ca -0.20 0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2jwe h ARG 9 Cb 0.84 0.21 -0.10 0.00 -1.39 0.00 0.00 29.97 29.53 2jwe h ARG 9 CO 0.25 -0.62 0.11 0.15 2.80 0.00 0.00 179.97 182.67 2jwe s LYS 10 N -6.05 1.43 -1.56 0.20 1.02 -1.26 -4.95 119.74 108.58 2jwe s LYS 10 Ca -0.18 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 2jwe s LYS 10 Cb 0.03 0.55 0.01 0.00 -0.52 0.00 0.00 37.83 37.90 2jwe s LYS 10 CO 0.62 -0.62 0.60 -1.71 -0.92 0.00 0.00 175.35 173.32 2jwe n ASN 11 N -0.37 -6.13 -2.71 2.83 5.15 -1.26 -4.89 115.26 107.87 2jwe n ASN 11 Ca -0.11 -0.28 -0.08 0.00 -0.60 0.00 0.00 54.58 53.52 2jwe n ASN 11 Cb 0.62 -4.95 0.09 0.00 -0.53 0.00 0.00 39.78 35.02 2jwe n ASN 11 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jwe n GLU 12 N -4.00 0.90 -1.41 1.20 2.13 -1.26 -5.09 120.64 113.11 2jwe n GLU 12 Ca -0.12 -1.69 -0.30 0.00 0.66 0.00 0.00 57.16 55.72 2jwe n GLU 12 Cb 0.62 -0.66 0.11 0.00 0.27 0.00 0.00 31.44 31.78 2jwe n GLU 12 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2jwe s GLU 13 N 0.21 1.66 0.41 5.31 -1.05 -1.26 -3.84 118.70 120.14 2jwe s GLU 13 Ca 0.21 0.68 0.07 0.00 -0.15 0.00 0.00 54.97 55.78 2jwe s GLU 13 Cb 0.30 -1.87 0.85 0.00 -0.44 0.00 0.00 34.13 32.98 2jwe s GLU 13 CO -0.08 -1.93 2.05 1.88 0.95 0.00 0.00 175.26 178.14 2jwe h TYR 14 N -1.31 0.51 -3.08 4.83 0.05 -2.00 -3.46 116.97 112.50 2jwe h TYR 14 Ca -0.48 0.01 -0.38 0.00 0.05 0.00 0.00 58.73 57.93 2jwe h TYR 14 Cb 1.28 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.82 2jwe h TYR 14 CO 0.43 0.33 -0.47 0.41 -1.05 0.00 0.00 178.16 177.81 2jwe n GLY 15 N -1.45 -0.36 3.37 3.88 0.00 -1.26 -4.97 105.19 104.41 2jwe n GLY 15 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.85 2.96 0.25 0.99 0.05 -1.26 -5.10 118.68 110.72 2jwe s LEU 16 Ca 0.00 -0.32 -0.20 0.00 0.05 0.00 0.00 54.13 53.67 2jwe s LEU 16 Cb 0.00 -1.73 -0.09 0.00 -2.05 0.00 0.00 46.19 42.32 2jwe s LEU 16 CO 0.00 0.05 0.75 -0.60 -0.55 0.00 0.00 176.35 176.01 2jwe s ARG 17 N 1.04 4.24 0.20 1.48 3.52 -1.26 -5.08 118.95 123.08 2jwe s ARG 17 Ca 0.01 0.89 0.04 0.00 -0.13 0.00 0.00 55.73 56.53 2jwe s ARG 17 Cb -0.15 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 2jwe s ARG 17 CO 0.00 0.34 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.62 2jwe s LEU 18 N -2.17 2.29 0.36 -0.88 0.20 -1.26 -5.17 118.68 112.07 2jwe s LEU 18 Ca 0.46 -1.14 -0.15 0.00 0.69 0.00 0.00 54.13 53.98 2jwe s LEU 18 Cb -0.16 -0.27 0.04 0.00 -0.43 0.00 0.00 46.19 45.38 2jwe s LEU 18 CO 0.20 -0.46 0.75 0.00 -0.29 0.00 0.00 176.35 176.55 2jwe s ALA 19 N -3.42 -0.66 0.04 5.97 0.00 -1.26 -5.08 121.76 117.34 2jwe s ALA 19 Ca 0.24 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2jwe s ALA 19 Cb 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2jwe s ALA 19 CO 0.05 -0.97 -0.04 -1.54 0.00 0.00 0.00 175.76 173.26 2jwe s SER 20 N -3.06 0.42 0.47 0.00 1.04 -1.26 -4.95 113.70 106.36 2jwe s SER 20 Ca 0.16 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2jwe s SER 20 Cb -0.05 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2jwe s SER 20 CO 0.12 -0.40 0.02 -1.00 0.98 0.00 0.00 173.24 172.96 2jwe s HIS 21 N -2.36 2.12 -0.02 5.02 3.76 -1.26 -0.09 115.29 122.45 2jwe s HIS 21 Ca -0.07 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.04 2jwe s HIS 21 Cb -0.03 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 2jwe s HIS 21 CO -0.04 0.29 -0.14 0.42 -0.85 0.00 0.00 174.74 174.42 2jwe s ILE 22 N -2.81 1.11 0.35 0.60 -1.09 -1.26 -4.91 121.20 113.20 2jwe s ILE 22 Ca 0.18 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.00 2jwe s ILE 22 Cb 0.05 -0.95 0.01 0.00 -1.58 0.00 0.00 42.46 39.98 2jwe s ILE 22 CO 0.09 0.32 0.50 0.72 -1.23 0.00 0.00 174.94 175.35 2jwe s PHE 23 N -0.10 1.01 -0.24 3.97 -0.71 -1.26 -1.07 117.98 119.58 2jwe s PHE 23 Ca 0.01 -1.27 -0.08 0.00 -1.04 0.00 0.00 56.93 54.55 2jwe s PHE 23 Cb -0.08 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2jwe s PHE 23 CO 0.00 -1.18 0.10 0.08 -1.34 0.00 0.00 175.22 172.88 2jwe s VAL 24 N -2.95 4.67 0.12 -2.49 1.01 0.15 -4.79 120.40 116.12 2jwe s VAL 24 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2jwe s VAL 24 Cb -0.01 -3.18 -0.20 0.00 0.00 0.00 0.00 36.38 32.99 2jwe s VAL 24 CO 0.20 0.34 1.28 0.50 0.00 0.00 0.00 175.10 177.43 2jwe h LYS 25 N 7.94 0.37 -2.08 2.72 1.63 -1.89 0.98 116.57 126.23 2jwe h LYS 25 Ca -0.37 -0.43 0.27 0.00 -0.85 0.00 0.00 60.65 59.27 2jwe h LYS 25 Cb 1.18 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.86 2jwe h LYS 25 CO 0.60 1.11 0.74 -2.00 -3.45 0.00 0.00 179.45 176.45 2jwe s GLU 26 N -3.16 0.76 -0.07 1.90 2.12 -1.26 -4.68 118.70 114.30 2jwe s GLU 26 Ca -0.05 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.85 2jwe s GLU 26 Cb 0.09 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2jwe s GLU 26 CO 0.87 -0.35 -0.20 0.42 -0.54 0.00 0.00 175.26 175.45 2jwe s ILE 27 N -2.34 1.71 0.24 -3.70 -1.09 -1.26 -4.79 121.20 109.97 2jwe s ILE 27 Ca 0.21 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.50 2jwe s ILE 27 Cb 0.00 -1.49 -0.09 0.00 -1.58 0.00 0.00 42.46 39.31 2jwe s ILE 27 CO 0.01 0.48 1.05 -0.55 -1.23 0.00 0.00 174.94 174.70 2jwe s SER 28 N 0.30 7.38 0.40 3.58 0.15 -1.26 -5.01 113.70 119.23 2jwe s SER 28 Ca -0.13 2.12 -0.26 0.00 0.70 0.00 0.00 55.95 58.38 2jwe s SER 28 Cb -0.16 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.45 2jwe s SER 28 CO 0.06 -0.08 1.22 -1.58 1.20 0.00 0.00 173.24 174.06 2jwe s GLN 29 N -1.04 4.05 -1.46 5.44 0.74 -1.26 -3.09 119.66 123.03 2jwe s GLN 29 Ca 0.45 1.98 -0.07 0.00 0.05 0.00 0.00 55.36 57.76 2jwe s GLN 29 Cb -0.29 -2.74 0.01 0.00 1.10 0.00 0.00 33.01 31.09 2jwe s GLN 29 CO 0.37 -0.37 0.89 -3.47 -0.55 0.00 0.00 175.29 172.16 2jwe n ASP 30 N 0.16 -6.12 -4.88 6.67 -0.08 -1.26 -5.00 116.55 106.05 2jwe n ASP 30 Ca 0.04 -0.44 -0.26 0.00 -1.51 0.00 0.00 54.79 52.62 2jwe n ASP 30 Cb 0.45 -4.88 -0.02 0.00 2.34 0.00 0.00 41.12 39.01 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 -3.02 4.61 0.34 1.67 1.04 -1.18 -5.01 113.70 112.15 2jwe s SER 31 Ca 0.46 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.71 2jwe s SER 31 Cb -0.21 0.28 0.61 0.00 0.10 0.00 0.00 66.02 66.80 2jwe s SER 31 CO 0.57 -1.01 1.88 -0.07 0.98 0.00 0.00 173.24 175.59 2jwe h LEU 32 N 0.86 0.48 -1.08 2.42 3.38 -1.94 -2.45 115.31 116.98 2jwe h LEU 32 Ca -0.38 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2jwe h LEU 32 Cb 1.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2jwe h LEU 32 CO 0.59 0.55 -0.15 0.00 0.09 0.00 0.00 178.44 179.52 2jwe h ALA 33 N 1.51 1.23 0.17 1.53 0.00 -1.91 0.63 119.26 122.42 2jwe h ALA 33 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jwe h ALA 33 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jwe h ALA 33 CO 0.01 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 2jwe h ALA 34 N 1.41 -0.23 -0.17 0.00 0.00 -1.70 -1.82 119.26 116.75 2jwe h ALA 34 Ca 0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2jwe h ALA 34 Cb 0.52 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jwe h ALA 34 CO 0.03 -0.52 -0.52 0.07 0.00 0.00 0.00 179.25 178.32 2jwe h ARG 35 N -0.45 0.47 -0.54 0.00 -0.00 -1.48 -3.07 114.38 109.30 2jwe h ARG 35 Ca -0.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 59.98 59.66 2jwe h ARG 35 Cb 0.35 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 30.32 2jwe h ARG 35 CO 0.04 0.87 0.27 0.22 -0.00 0.00 0.00 179.97 181.37 2jwe h ASP 36 N 0.37 0.67 -2.74 0.08 3.58 -0.83 -3.46 116.42 114.08 2jwe h ASP 36 Ca 0.01 -0.06 -0.33 0.00 0.42 0.00 0.00 57.03 57.07 2jwe h ASP 36 Cb 1.03 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2jwe h ASP 36 CO 0.09 0.57 -0.44 0.61 -2.88 0.00 0.00 179.24 177.19 2jwe n GLY 37 N -1.21 -0.31 0.47 -0.78 0.00 -0.69 -4.87 105.19 97.81 2jwe n GLY 37 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.31 1.97 -4.70 1.61 3.02 -1.25 -5.03 115.26 109.56 2jwe n ASN 38 Ca -0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 2jwe n ASN 38 Cb 0.63 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 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 -1.89 4.93 0.21 2.41 1.09 -1.26 -5.05 121.20 121.64 2jwe s ILE 39 Ca 0.00 1.69 -0.00 0.00 -1.10 0.00 0.00 60.65 61.24 2jwe s ILE 39 Cb 0.00 -4.16 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2jwe s ILE 39 CO 0.00 0.13 0.10 -1.10 -0.10 0.00 0.00 174.94 173.98 2jwe s GLN 40 N 1.41 1.24 0.00 2.79 1.11 -1.26 -4.76 119.66 120.19 2jwe s GLN 40 Ca 0.42 -1.65 -0.30 0.00 0.01 0.00 0.00 55.36 53.83 2jwe s GLN 40 Cb -0.18 0.05 -0.05 0.00 -1.01 0.00 0.00 33.01 31.82 2jwe s GLN 40 CO 0.18 -0.33 1.23 -1.83 0.01 0.00 0.00 175.29 174.55 2jwe s GLU 41 N -4.09 4.37 0.00 2.91 -1.05 -1.26 -2.88 118.70 116.70 2jwe s GLU 41 Ca 0.36 1.76 0.00 0.00 -0.15 0.00 0.00 54.97 56.94 2jwe s GLU 41 Cb 0.07 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 2jwe s GLU 41 CO 0.11 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.34 2jwe n GLY 42 N 3.35 3.17 3.66 -3.83 0.00 0.34 -5.01 105.19 106.87 2jwe n GLY 42 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 2.42 -4.28 1.61 9.92 -1.14 -4.55 116.55 120.53 2jwe n ASP 43 Ca 0.00 1.18 -0.45 0.00 -0.53 0.00 0.00 54.79 54.99 2jwe n ASP 43 Cb 0.00 -1.42 -0.06 0.00 -0.64 0.00 0.00 41.12 39.00 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 -0.74 4.93 0.02 2.53 1.01 -1.26 0.29 120.40 127.19 2jwe s VAL 44 Ca 0.61 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 2jwe s VAL 44 Cb -0.63 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 2jwe s VAL 44 CO 0.58 -0.85 1.21 -0.69 0.00 0.00 0.00 175.10 175.34 2jwe s VAL 45 N 1.47 4.10 -0.22 2.92 1.01 -0.23 -2.23 120.40 127.21 2jwe s VAL 45 Ca 0.04 1.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 2jwe s VAL 45 Cb -0.28 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 2jwe s VAL 45 CO 0.02 0.07 -0.24 -0.11 0.00 0.00 0.00 175.10 174.84 2jwe n LEU 46 N 4.39 2.36 -4.15 3.92 7.94 0.17 -4.03 117.00 127.61 2jwe n LEU 46 Ca 0.10 0.07 -0.15 0.00 -1.11 0.00 0.00 56.01 54.92 2jwe n LEU 46 Cb 0.46 -0.73 -0.11 0.00 0.53 0.00 0.00 43.42 43.57 2jwe n LEU 46 CO 0.56 0.69 -0.42 -0.54 -1.11 0.00 0.00 177.39 176.57 2jwe s LYS 47 N -2.43 0.77 -0.04 1.96 1.02 -1.13 -1.59 119.74 118.30 2jwe s LYS 47 Ca -0.31 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 2jwe s LYS 47 Cb 0.10 -0.53 0.03 0.00 -0.52 0.00 0.00 37.83 36.91 2jwe s LYS 47 CO 0.46 0.09 0.04 0.42 -0.92 0.00 0.00 175.35 175.44 2jwe s ILE 48 N -1.98 -0.02 -1.58 2.17 1.09 0.18 0.74 121.20 121.79 2jwe s ILE 48 Ca 0.01 0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.87 2jwe s ILE 48 Cb -0.06 -0.18 0.00 0.00 -1.06 0.00 0.00 42.46 41.16 2jwe s ILE 48 CO 0.00 0.16 0.06 0.59 -0.10 0.00 0.00 174.94 175.66 2jwe n ASN 49 N 4.91 -5.39 -0.11 3.58 3.02 0.21 -1.92 115.26 119.56 2jwe n ASN 49 Ca -0.12 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2jwe n ASN 49 Cb 0.50 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 2jwe n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwe n GLY 50 N -1.01 0.72 3.13 7.41 0.00 -1.26 -5.00 105.19 109.18 2jwe n GLY 50 Ca -0.21 -0.70 -0.12 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 -2.23 -0.06 0.25 2.61 2.01 -0.81 -5.14 115.64 112.28 2jwe s THR 51 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2jwe s THR 51 Cb 0.00 -0.47 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 2jwe s THR 51 CO 0.00 0.06 1.11 -0.69 -0.69 0.00 0.00 174.62 174.40 2jwe s VAL 52 N 1.38 3.57 -0.23 3.82 1.01 -1.26 0.48 120.40 129.17 2jwe s VAL 52 Ca -0.09 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.54 2jwe s VAL 52 Cb -0.10 -3.96 0.51 0.00 0.00 0.00 0.00 36.38 32.82 2jwe s VAL 52 CO -0.10 0.33 1.43 0.35 0.00 0.00 0.00 175.10 177.11 2jwe n THR 53 N 1.53 2.39 -2.92 3.92 -2.24 -0.62 -4.92 114.28 111.41 2jwe n THR 53 Ca 0.00 -2.28 -0.37 0.00 -2.27 0.00 0.00 64.05 59.13 2jwe n THR 53 Cb 0.45 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.02 4.45 -0.73 -0.78 2.12 -1.26 -3.46 118.70 116.01 2jwe s GLU 54 Ca 0.43 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2jwe s GLU 54 Cb 0.37 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2jwe s GLU 54 CO 0.05 0.35 0.00 0.09 -0.54 0.00 0.00 175.26 175.20 2jwe n ASN 55 N 0.71 -5.13 -4.83 -1.70 4.13 0.87 -4.94 115.26 104.37 2jwe n ASN 55 Ca -0.00 0.17 -0.22 0.00 1.68 0.00 0.00 54.58 56.21 2jwe n ASN 55 Cb 0.50 -3.24 -0.04 0.00 -1.54 0.00 0.00 39.78 35.47 2jwe n ASN 55 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2jwe s MET 56 N -2.31 2.62 0.35 3.52 1.75 -1.23 -4.79 119.30 119.21 2jwe s MET 56 Ca 0.00 -1.39 -0.26 0.00 -1.25 0.00 0.00 55.69 52.79 2jwe s MET 56 Cb 0.00 -2.39 -0.09 0.00 2.84 0.00 0.00 34.83 35.19 2jwe s MET 56 CO 0.00 0.06 1.08 -1.12 -0.65 0.00 0.00 175.02 174.39 2jwe s SER 57 N -3.98 6.93 0.46 1.11 0.01 -1.26 -4.92 113.70 112.06 2jwe s SER 57 Ca 0.41 2.17 0.16 0.00 1.31 0.00 0.00 55.95 60.00 2jwe s SER 57 Cb -0.05 -2.61 1.12 0.00 0.21 0.00 0.00 66.02 64.70 2jwe s SER 57 CO 0.26 -0.37 1.99 0.25 0.41 0.00 0.00 173.24 175.78 2jwe h LEU 58 N 3.04 0.27 -0.81 2.44 5.85 -1.96 -0.44 115.31 123.70 2jwe h LEU 58 Ca -0.48 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2jwe h LEU 58 Cb 1.22 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2jwe h LEU 58 CO 0.64 0.16 0.20 0.74 -0.34 0.00 0.00 178.44 179.84 2jwe h THR 59 N 0.30 1.26 -0.66 1.05 2.02 -2.00 -2.66 112.91 112.21 2jwe h THR 59 Ca 0.25 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.61 2jwe h THR 59 Cb 0.60 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 2jwe h THR 59 CO -0.06 0.35 0.32 -0.78 0.37 0.00 0.00 175.52 175.72 2jwe h ASP 60 N 1.05 0.41 -0.94 4.18 1.82 -1.45 -0.63 116.42 120.86 2jwe h ASP 60 Ca 0.23 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 57.00 2jwe h ASP 60 Cb 0.32 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.25 2jwe h ASP 60 CO -0.00 0.25 0.61 0.00 -1.61 0.00 0.00 179.24 178.48 2jwe h ALA 61 N 1.40 1.51 -0.30 -0.78 0.00 -1.39 -0.97 119.26 118.72 2jwe h ALA 61 Ca 0.32 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2jwe h ALA 61 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jwe h ALA 61 CO -0.25 0.34 -0.27 -0.22 0.00 0.00 0.00 179.25 178.85 2jwe h LYS 62 N 1.04 0.61 -0.50 0.00 3.64 -1.02 -3.02 116.57 117.31 2jwe h LYS 62 Ca 0.41 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2jwe h LYS 62 Cb 0.25 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2jwe h LYS 62 CO -0.17 0.82 0.23 1.15 -2.27 0.00 0.00 179.45 179.21 2jwe h THR 63 N 0.53 1.20 -0.83 1.00 2.02 -0.20 -1.68 112.91 114.96 2jwe h THR 63 Ca 0.07 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.75 2jwe h THR 63 Cb 0.74 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 2jwe h THR 63 CO 0.06 0.23 0.54 -0.07 0.37 0.00 0.00 175.52 176.65 2jwe h LEU 64 N 0.67 0.73 -0.88 2.58 3.38 -1.27 0.26 115.31 120.79 2jwe h LEU 64 Ca 0.17 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2jwe h LEU 64 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jwe h LEU 64 CO -0.02 0.44 -0.47 0.40 0.09 0.00 0.00 178.44 178.88 2jwe h ILE 65 N 0.82 1.34 -0.07 1.22 2.04 -1.33 -2.49 117.51 119.04 2jwe h ILE 65 Ca 0.38 -1.66 -0.16 0.00 1.00 0.00 0.00 64.86 64.42 2jwe h ILE 65 Cb 0.39 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2jwe h ILE 65 CO -0.15 0.49 -0.57 -0.33 0.00 0.00 0.00 178.15 177.59 2jwe h GLU 66 N 0.17 0.51 0.00 2.37 5.08 0.10 -3.15 114.58 119.66 2jwe h GLU 66 Ca 0.01 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2jwe h GLU 66 Cb 0.90 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jwe h GLU 66 CO 0.07 1.09 0.00 -0.09 -1.00 0.00 0.00 179.01 179.08 2jwe h ARG 67 N 0.09 0.00 -6.01 2.33 2.43 -0.57 -3.43 114.38 109.23 2jwe h ARG 67 Ca -0.05 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.51 2jwe h ARG 67 Cb 1.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2jwe h ARG 67 CO 0.12 0.00 1.46 0.43 -1.51 0.00 0.00 179.97 180.47 2jwe n SER 68 N -2.87 3.06 0.33 -3.80 7.64 -0.94 -4.87 113.62 112.16 2jwe n SER 68 Ca -0.00 0.29 -0.17 0.00 1.01 0.00 0.00 58.87 60.00 2jwe n SER 68 Cb 0.21 -1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 61.84 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 14.21 -0.79 0.00 1.43 1.79 -1.90 -3.46 116.57 127.85 2jwe h LYS 69 Ca -0.39 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2jwe h LYS 69 Cb 1.26 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 2jwe h LYS 69 CO 0.97 -0.50 0.00 0.41 -1.08 0.00 0.00 179.45 179.25 2jwe n GLY 70 N -1.25 0.01 3.79 3.86 0.00 -1.26 -5.10 105.19 105.23 2jwe n GLY 70 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.04 4.46 -0.17 1.61 1.02 -1.26 -5.06 119.74 120.31 2jwe s LYS 71 Ca 0.00 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.32 2jwe s LYS 71 Cb 0.00 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 2jwe s LYS 71 CO 0.00 0.16 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.28 2jwe s LEU 72 N -2.33 1.97 -0.08 3.17 0.20 -1.26 -4.94 118.68 115.41 2jwe s LEU 72 Ca 0.53 -0.64 -0.14 0.00 0.69 0.00 0.00 54.13 54.57 2jwe s LEU 72 Cb -0.18 -1.27 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 2jwe s LEU 72 CO 0.23 -0.07 0.35 -0.75 -0.29 0.00 0.00 176.35 175.82 2jwe s LYS 73 N 1.41 4.02 -0.04 1.98 2.47 -1.26 -4.95 119.74 123.37 2jwe s LYS 73 Ca 0.03 0.26 -0.02 0.00 -1.56 0.00 0.00 55.97 54.68 2jwe s LYS 73 Cb -0.14 -3.31 0.03 0.00 -1.46 0.00 0.00 37.83 32.96 2jwe s LYS 73 CO -0.11 0.49 0.07 -1.64 0.16 0.00 0.00 175.35 174.33 2jwe s MET 74 N -0.37 -0.04 -0.24 4.03 -1.94 -1.26 0.66 119.30 120.14 2jwe s MET 74 Ca 0.21 0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 54.41 2jwe s MET 74 Cb -0.15 -0.38 -0.05 0.00 2.01 0.00 0.00 34.83 36.27 2jwe s MET 74 CO 0.09 -0.27 0.25 0.08 -0.01 0.00 0.00 175.02 175.16 2jwe s VAL 75 N 1.80 5.29 0.17 -6.03 1.01 0.23 -4.98 120.40 117.88 2jwe s VAL 75 Ca -0.00 0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.45 2jwe s VAL 75 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2jwe s VAL 75 CO -0.04 0.28 -0.25 -0.69 0.00 0.00 0.00 175.10 174.41 2jwe s VAL 76 N 1.35 2.31 0.24 2.92 1.01 -1.26 0.46 120.40 127.43 2jwe s VAL 76 Ca 0.11 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 2jwe s VAL 76 Cb -0.14 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2jwe s VAL 76 CO 0.07 -0.03 0.47 -1.58 0.00 0.00 0.00 175.10 174.03 2jwe s GLN 77 N -2.42 3.59 0.00 2.72 2.00 -0.95 -4.93 119.66 119.67 2jwe s GLN 77 Ca 0.18 -0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.41 2jwe s GLN 77 Cb -0.09 -2.74 0.00 0.00 0.80 0.00 0.00 33.01 30.98 2jwe s GLN 77 CO 0.08 0.31 0.00 2.89 -0.50 0.00 0.00 175.29 178.08 2jwe n ARG 78 N -0.70 0.00 -2.35 1.67 1.85 -1.26 -4.55 116.66 111.31 2jwe n ARG 78 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.81 2jwe n ARG 78 Cb 0.54 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.01 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jwe n ASP 79 N -1.01 -0.24 -4.79 2.89 8.00 -1.26 -5.10 116.55 115.04 2jwe n ASP 79 Ca 0.00 -2.10 -0.34 0.00 0.71 0.00 0.00 54.79 53.05 2jwe n ASP 79 Cb 0.00 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2jwe n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jwe s GLU 80 N -1.09 3.65 -0.09 -1.24 0.41 -1.26 -4.98 118.70 114.10 2jwe s GLU 80 Ca 0.16 1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 55.82 2jwe s GLU 80 Cb 0.34 -2.07 -0.03 0.00 -1.78 0.00 0.00 34.13 30.59 2jwe s GLU 80 CO -0.09 -0.56 1.31 -1.17 -0.49 0.00 0.00 175.26 174.27 2jwe s LEU 81 N -3.66 4.25 0.00 1.80 2.96 -1.26 -5.21 118.68 117.56 2jwe s LEU 81 Ca 0.68 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 2jwe s LEU 81 Cb -0.18 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.96 2jwe s LEU 81 CO 0.23 -0.72 0.00 1.21 -1.32 0.00 0.00 176.35 175.75