#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 3.66 -0.20 -0.78 -2.85 -1.26 -5.09 119.74 113.22 2jwe s LYS 2 Ca 0.00 -0.48 -0.07 0.00 -1.00 0.00 0.00 55.97 54.41 2jwe s LYS 2 Cb 0.00 -3.25 -0.04 0.00 -2.06 0.00 0.00 37.83 32.49 2jwe s LYS 2 CO 0.00 -0.10 0.07 0.08 0.10 0.00 0.00 175.35 175.49 2jwe s VAL 3 N 1.36 4.68 -0.26 1.79 1.01 -1.26 -5.08 120.40 122.65 2jwe s VAL 3 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2jwe s VAL 3 Cb -0.15 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.18 2jwe s VAL 3 CO 0.03 0.42 0.03 -0.89 0.00 0.00 0.00 175.10 174.69 2jwe s THR 4 N 0.73 1.18 0.12 3.92 2.01 -1.26 -5.13 115.64 117.22 2jwe s THR 4 Ca 0.04 -1.26 -0.00 0.00 0.31 0.00 0.00 61.69 60.77 2jwe s THR 4 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2jwe s THR 4 CO 0.02 -0.37 0.29 -0.76 -0.69 0.00 0.00 174.62 173.10 2jwe s LEU 5 N 1.51 4.32 -0.30 4.42 1.43 -1.26 -5.09 118.68 123.71 2jwe s LEU 5 Ca 0.02 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2jwe s LEU 5 Cb -0.18 -3.03 0.08 0.00 0.03 0.00 0.00 46.19 43.09 2jwe s LEU 5 CO -0.13 0.08 -0.01 -0.69 0.23 0.00 0.00 176.35 175.83 2jwe s VAL 6 N -1.66 2.10 0.36 -1.59 1.01 -1.26 -5.11 120.40 114.24 2jwe s VAL 6 Ca 0.36 -1.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.22 2jwe s VAL 6 Cb -0.12 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 2jwe s VAL 6 CO 0.28 -0.39 0.77 -0.75 0.00 0.00 0.00 175.10 175.01 2jwe s LYS 7 N 1.05 3.96 0.23 2.72 2.20 -1.26 -4.84 119.74 123.80 2jwe s LYS 7 Ca 0.03 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 2jwe s LYS 7 Cb -0.19 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 2jwe s LYS 7 CO -0.08 0.07 0.00 0.43 -0.36 0.00 0.00 175.35 175.41 2jwe n SER 8 N -0.69 -5.18 -2.85 1.43 7.64 -1.20 -4.95 113.62 107.82 2jwe n SER 8 Ca 0.04 0.43 -0.04 0.00 1.01 0.00 0.00 58.87 60.30 2jwe n SER 8 Cb 0.53 -2.68 0.01 0.00 -1.01 0.00 0.00 64.21 61.06 2jwe n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jwe n ARG 9 N -3.15 -1.84 -3.36 1.43 1.74 -1.26 -3.52 116.66 106.71 2jwe n ARG 9 Ca -0.00 1.79 -0.24 0.00 -0.77 0.00 0.00 57.85 58.62 2jwe n ARG 9 Cb 0.40 -5.46 0.03 0.00 -1.02 0.00 0.00 32.46 26.40 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 -0.88 -4.97 -3.78 5.56 4.81 -1.26 -4.97 118.16 112.66 2jwe n LYS 10 Ca 0.07 0.72 -0.13 0.00 -0.87 0.00 0.00 58.31 58.10 2jwe n LYS 10 Cb 0.46 -5.57 -0.13 0.00 0.02 0.00 0.00 35.03 29.81 2jwe n LYS 10 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2jwe s ASN 11 N -2.89 -0.18 1.04 3.14 0.01 -1.23 -5.17 114.94 109.66 2jwe s ASN 11 Ca 0.43 0.37 -0.07 0.00 -0.71 0.00 0.00 52.86 52.88 2jwe s ASN 11 Cb -0.21 0.33 0.11 0.00 0.41 0.00 0.00 41.25 41.89 2jwe s ASN 11 CO 0.54 -0.10 0.51 -0.62 -1.51 0.00 0.00 177.10 175.92 2jwe n GLU 12 N 3.46 -1.07 -1.27 -0.60 -0.58 -1.26 -3.27 120.64 116.05 2jwe n GLU 12 Ca -0.18 -0.80 -0.29 0.00 -0.42 0.00 0.00 57.16 55.48 2jwe n GLU 12 Cb 0.56 -0.61 0.16 0.00 -0.57 0.00 0.00 31.44 30.98 2jwe n GLU 12 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2jwe s GLU 13 N -4.13 0.79 0.07 3.49 1.03 -1.26 -4.37 118.70 114.33 2jwe s GLU 13 Ca 0.30 0.53 -0.21 0.00 0.03 0.00 0.00 54.97 55.62 2jwe s GLU 13 Cb -0.02 -1.78 -0.11 0.00 -0.80 0.00 0.00 34.13 31.42 2jwe s GLU 13 CO 0.22 -2.49 1.52 1.88 -1.33 0.00 0.00 175.26 175.06 2jwe h TYR 14 N -1.72 0.30 -0.46 4.83 0.05 -1.96 -3.46 116.97 114.55 2jwe h TYR 14 Ca -0.52 -0.05 -0.20 0.00 0.05 0.00 0.00 58.73 58.01 2jwe h TYR 14 Cb 1.32 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 38.90 2jwe h TYR 14 CO 0.32 0.47 -0.18 0.41 -1.05 0.00 0.00 178.16 178.13 2jwe n GLY 15 N -0.37 0.95 3.57 3.88 0.00 -1.26 -4.93 105.19 107.02 2jwe n GLY 15 Ca -0.05 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.18 4.09 0.09 0.99 0.05 -1.26 -5.02 118.68 115.44 2jwe s LEU 16 Ca 0.00 0.24 -0.31 0.00 0.05 0.00 0.00 54.13 54.12 2jwe s LEU 16 Cb 0.00 -3.11 -0.06 0.00 -2.05 0.00 0.00 46.19 40.96 2jwe s LEU 16 CO 0.00 -0.89 1.21 -0.60 -0.55 0.00 0.00 176.35 175.52 2jwe s ARG 17 N 3.41 4.44 0.33 1.48 3.52 -1.26 -5.04 118.95 125.83 2jwe s ARG 17 Ca 0.34 1.81 0.10 0.00 -0.13 0.00 0.00 55.73 57.84 2jwe s ARG 17 Cb -0.12 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2jwe s ARG 17 CO 0.21 -0.23 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.24 2jwe s LEU 18 N 0.82 2.86 0.00 -0.88 2.96 -1.26 -5.15 118.68 118.03 2jwe s LEU 18 Ca 0.58 -1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 2jwe s LEU 18 Cb -0.30 -1.23 0.04 0.00 0.50 0.00 0.00 46.19 45.20 2jwe s LEU 18 CO 0.31 -0.17 0.66 0.00 -1.32 0.00 0.00 176.35 175.83 2jwe n ALA 19 N -0.85 -1.31 -2.82 5.97 0.00 -1.26 -5.11 120.51 115.13 2jwe n ALA 19 Ca -0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.00 2jwe n ALA 19 Cb 0.62 1.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.96 2jwe n ALA 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jwe s SER 20 N -2.94 1.01 0.49 0.00 1.04 -1.26 -4.96 113.70 107.08 2jwe s SER 20 Ca 0.18 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2jwe s SER 20 Cb -0.04 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2jwe s SER 20 CO 0.13 -0.16 0.14 -1.00 0.98 0.00 0.00 173.24 173.33 2jwe s HIS 21 N -1.27 2.00 -0.01 5.02 3.76 -1.26 0.26 115.29 123.80 2jwe s HIS 21 Ca -0.08 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.03 2jwe s HIS 21 Cb -0.09 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 2jwe s HIS 21 CO 0.01 0.06 -0.08 0.42 -0.85 0.00 0.00 174.74 174.30 2jwe s ILE 22 N -2.78 0.62 0.34 0.60 -1.09 -1.26 -4.90 121.20 112.73 2jwe s ILE 22 Ca 0.23 -0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.32 2jwe s ILE 22 Cb 0.02 -0.53 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 2jwe s ILE 22 CO 0.13 0.18 0.46 2.22 -1.23 0.00 0.00 174.94 176.70 2jwe n PHE 23 N 3.03 -1.37 -3.65 3.97 -1.74 -1.26 -1.57 117.46 114.86 2jwe n PHE 23 Ca -0.15 -2.34 -0.38 0.00 -0.56 0.00 0.00 57.45 54.02 2jwe n PHE 23 Cb 0.56 0.52 -0.12 0.00 1.52 0.00 0.00 39.48 41.97 2jwe n PHE 23 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2jwe s VAL 24 N -2.85 4.75 0.19 1.97 1.01 -0.62 -4.86 120.40 119.98 2jwe s VAL 24 Ca 0.29 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2jwe s VAL 24 Cb -0.01 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.08 2jwe s VAL 24 CO 0.21 0.13 1.65 0.50 0.00 0.00 0.00 175.10 177.59 2jwe h LYS 25 N 8.35 1.06 -1.96 2.72 1.63 -1.92 -2.18 116.57 124.27 2jwe h LYS 25 Ca -0.34 -0.34 0.30 0.00 -0.85 0.00 0.00 60.65 59.43 2jwe h LYS 25 Cb 1.16 -0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.61 2jwe h LYS 25 CO 0.60 1.04 0.81 -1.83 -3.45 0.00 0.00 179.45 176.61 2jwe s GLU 26 N -5.01 0.58 -0.02 1.90 -1.05 -1.26 -4.70 118.70 109.14 2jwe s GLU 26 Ca -0.12 -0.35 0.03 0.00 -0.15 0.00 0.00 54.97 54.38 2jwe s GLU 26 Cb 0.14 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2jwe s GLU 26 CO 0.86 -0.27 -0.12 0.42 0.95 0.00 0.00 175.26 177.10 2jwe s ILE 27 N -2.25 1.00 0.49 1.83 1.01 -1.26 -4.94 121.20 117.08 2jwe s ILE 27 Ca 0.22 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 2jwe s ILE 27 Cb 0.01 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 2jwe s ILE 27 CO -0.01 0.30 1.03 -0.44 0.00 0.00 0.00 174.94 175.81 2jwe s SER 28 N -0.02 6.38 0.36 3.58 0.01 -1.26 -5.02 113.70 117.72 2jwe s SER 28 Ca -0.00 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 58.87 2jwe s SER 28 Cb -0.08 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2jwe s SER 28 CO 0.00 -0.76 1.06 -1.10 0.41 0.00 0.00 173.24 172.86 2jwe s GLN 29 N -3.36 4.31 -1.65 12.44 -0.21 -1.26 -3.33 119.66 126.60 2jwe s GLN 29 Ca 0.66 1.60 -0.03 0.00 0.02 0.00 0.00 55.36 57.61 2jwe s GLN 29 Cb -0.15 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.12 2jwe s GLN 29 CO 0.21 -0.03 0.41 -3.47 -2.12 0.00 0.00 175.29 170.29 2jwe n ASP 30 N 0.33 -6.11 -4.98 5.90 -0.08 -1.26 -4.99 116.55 105.36 2jwe n ASP 30 Ca 0.03 -0.20 -0.22 0.00 -1.51 0.00 0.00 54.79 52.89 2jwe n ASP 30 Cb 0.48 -4.98 0.03 0.00 2.34 0.00 0.00 41.12 38.99 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 -2.49 4.95 0.19 1.67 1.04 -1.21 -4.96 113.70 112.89 2jwe s SER 31 Ca 0.20 -0.97 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 2jwe s SER 31 Cb -0.09 0.26 0.12 0.00 0.10 0.00 0.00 66.02 66.41 2jwe s SER 31 CO 0.25 -1.20 1.78 -0.07 0.98 0.00 0.00 173.24 174.98 2jwe h LEU 32 N 0.45 0.92 -0.60 2.42 3.38 -1.94 -0.98 115.31 118.95 2jwe h LEU 32 Ca -0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2jwe h LEU 32 Cb 1.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2jwe h LEU 32 CO 0.48 0.81 0.30 0.00 0.09 0.00 0.00 178.44 180.12 2jwe h ALA 33 N 1.15 0.78 -0.43 1.53 0.00 -1.94 0.86 119.26 121.21 2jwe h ALA 33 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jwe h ALA 33 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jwe h ALA 33 CO -0.03 0.33 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 2jwe h ALA 34 N 1.13 1.08 -0.25 0.00 0.00 -1.74 0.23 119.26 119.71 2jwe h ALA 34 Ca 0.21 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2jwe h ALA 34 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jwe h ALA 34 CO -0.03 0.57 -0.52 -0.09 0.00 0.00 0.00 179.25 179.18 2jwe h ARG 35 N 0.69 0.79 -0.29 0.00 9.65 -0.80 -3.24 114.38 121.17 2jwe h ARG 35 Ca 0.13 -0.52 -0.16 0.00 -1.10 0.00 0.00 59.98 58.32 2jwe h ARG 35 Cb 0.52 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 2jwe h ARG 35 CO 0.03 1.15 -0.47 0.22 2.80 0.00 0.00 179.97 183.70 2jwe h ASP 36 N 0.53 0.84 -2.00 -3.80 3.58 -0.68 -3.48 116.42 111.41 2jwe h ASP 36 Ca 0.00 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 56.91 2jwe h ASP 36 Cb 1.13 -0.24 0.03 0.00 1.72 0.00 0.00 39.33 41.97 2jwe h ASP 36 CO 0.12 1.17 -0.20 0.61 -2.88 0.00 0.00 179.24 178.06 2jwe n GLY 37 N 0.19 0.33 0.96 -0.78 0.00 0.06 -4.95 105.19 101.00 2jwe n GLY 37 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 0.27 0.24 -4.69 1.61 3.02 -1.25 -5.01 115.26 109.45 2jwe n ASN 38 Ca -0.03 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 2jwe n ASN 38 Cb 0.53 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.03 4.01 0.11 2.41 -1.09 -1.26 -5.02 121.20 118.33 2jwe s ILE 39 Ca -0.02 1.36 0.05 0.00 -2.23 0.00 0.00 60.65 59.81 2jwe s ILE 39 Cb 0.01 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2jwe s ILE 39 CO 0.03 0.00 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.52 2jwe s GLN 40 N 2.26 0.94 0.03 2.79 -0.21 -1.26 -4.79 119.66 119.42 2jwe s GLN 40 Ca 0.59 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 2jwe s GLN 40 Cb -0.28 -0.69 -0.09 0.00 1.00 0.00 0.00 33.01 32.96 2jwe s GLN 40 CO 0.24 0.12 1.98 -1.21 -2.12 0.00 0.00 175.29 174.30 2jwe s GLU 41 N -2.87 4.11 0.00 2.91 2.02 -1.26 -1.28 118.70 122.33 2jwe s GLU 41 Ca 0.08 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.68 2jwe s GLU 41 Cb -0.03 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.03 2jwe s GLU 41 CO 0.01 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.71 2jwe n GLY 42 N 4.60 3.07 3.68 -1.39 0.00 -0.82 -5.05 105.19 109.27 2jwe n GLY 42 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 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 3.57 -4.64 1.61 9.92 -0.40 -4.65 116.55 121.97 2jwe n ASP 43 Ca 0.00 0.99 -0.40 0.00 -0.53 0.00 0.00 54.79 54.84 2jwe n ASP 43 Cb 0.00 -1.43 -0.06 0.00 -0.64 0.00 0.00 41.12 38.99 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 3.24 4.99 -0.25 2.53 1.01 -1.26 -1.59 120.40 129.07 2jwe s VAL 44 Ca 0.88 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 2jwe s VAL 44 Cb -0.62 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2jwe s VAL 44 CO 0.45 0.05 0.63 -0.69 0.00 0.00 0.00 175.10 175.54 2jwe s VAL 45 N 2.35 4.99 -0.14 2.92 1.01 -0.61 -2.13 120.40 128.78 2jwe s VAL 45 Ca 0.27 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 2jwe s VAL 45 Cb -0.16 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 2jwe s VAL 45 CO 0.09 0.04 0.53 0.25 0.00 0.00 0.00 175.10 176.01 2jwe h LEU 46 N 8.84 0.15 -8.30 3.92 7.12 -0.23 -3.40 115.31 123.41 2jwe h LEU 46 Ca -0.27 -0.79 -0.22 0.00 0.13 0.00 0.00 57.88 56.73 2jwe h LEU 46 Cb 1.13 -0.05 -0.17 0.00 -0.53 0.00 0.00 40.66 41.03 2jwe h LEU 46 CO 0.77 1.38 -0.71 -0.54 -0.13 0.00 0.00 178.44 179.21 2jwe s LYS 47 N -2.36 0.67 -0.08 1.25 1.02 -1.21 -0.92 119.74 118.11 2jwe s LYS 47 Ca -0.22 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 2jwe s LYS 47 Cb 0.02 -0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 2jwe s LYS 47 CO 0.69 -0.01 0.01 0.42 -0.92 0.00 0.00 175.35 175.54 2jwe s ILE 48 N -2.83 0.31 -1.47 2.17 1.01 0.13 -0.80 121.20 119.73 2jwe s ILE 48 Ca 0.03 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 2jwe s ILE 48 Cb -0.00 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 41.98 2jwe s ILE 48 CO -0.04 0.20 0.74 -3.20 0.00 0.00 0.00 174.94 172.65 2jwe n ASN 49 N 5.16 -5.55 -0.81 3.58 2.85 0.23 -1.95 115.26 118.77 2jwe n ASN 49 Ca -0.07 -0.42 -0.04 0.00 -0.11 0.00 0.00 54.58 53.94 2jwe n ASN 49 Cb 0.50 -4.47 0.01 0.00 1.24 0.00 0.00 39.78 37.06 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 -1.57 0.49 2.91 8.20 0.00 -1.26 -5.03 105.19 108.93 2jwe n GLY 50 Ca -0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.70 -0.04 0.43 2.61 2.01 -0.82 -5.14 115.64 111.98 2jwe s THR 51 Ca 0.06 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 2jwe s THR 51 Cb -0.03 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.21 2jwe s THR 51 CO 0.08 0.06 1.32 -0.69 -0.69 0.00 0.00 174.62 174.70 2jwe s VAL 52 N 0.84 2.50 -0.33 3.82 1.01 -1.26 0.21 120.40 127.19 2jwe s VAL 52 Ca -0.07 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.45 2jwe s VAL 52 Cb -0.09 -3.25 0.46 0.00 0.00 0.00 0.00 36.38 33.49 2jwe s VAL 52 CO -0.04 0.06 1.14 0.41 0.00 0.00 0.00 175.10 176.66 2jwe n THR 53 N -0.06 2.19 -4.73 3.92 -1.04 -0.10 -4.83 114.28 109.64 2jwe n THR 53 Ca 0.05 -4.16 -0.31 0.00 -2.04 0.00 0.00 64.05 57.58 2jwe n THR 53 Cb 0.44 -0.71 -0.13 0.00 -1.82 0.00 0.00 70.33 68.11 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 -3.57 2.15 0.00 -2.82 2.12 -1.26 -4.03 118.70 111.29 2jwe s GLU 54 Ca 0.45 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2jwe s GLU 54 Cb 0.40 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.57 2jwe s GLU 54 CO -0.04 0.56 0.00 0.09 -0.54 0.00 0.00 175.26 175.33 2jwe n ASN 55 N 1.72 -4.93 -4.90 -1.70 4.13 0.14 -4.95 115.26 104.78 2jwe n ASN 55 Ca -0.16 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.77 2jwe n ASN 55 Cb 0.52 -2.67 -0.05 0.00 -1.54 0.00 0.00 39.78 36.05 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 -1.44 3.51 0.56 3.52 1.75 -1.26 -4.81 119.30 121.14 2jwe s MET 56 Ca 0.00 -0.25 -0.21 0.00 -1.25 0.00 0.00 55.69 53.98 2jwe s MET 56 Cb 0.00 -3.03 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 2jwe s MET 56 CO 0.00 0.61 1.31 -1.12 -0.65 0.00 0.00 175.02 175.17 2jwe s SER 57 N -2.15 5.20 0.50 1.11 0.01 -1.26 -4.88 113.70 112.23 2jwe s SER 57 Ca 0.32 2.65 0.23 0.00 1.31 0.00 0.00 55.95 60.46 2jwe s SER 57 Cb -0.13 -2.62 1.29 0.00 0.21 0.00 0.00 66.02 64.77 2jwe s SER 57 CO 0.22 -1.60 1.96 0.25 0.41 0.00 0.00 173.24 174.48 2jwe h LEU 58 N 1.26 0.13 -0.66 2.44 5.85 -1.97 0.23 115.31 122.58 2jwe h LEU 58 Ca -0.51 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2jwe h LEU 58 Cb 1.30 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2jwe h LEU 58 CO 0.56 0.07 0.12 0.74 -0.34 0.00 0.00 178.44 179.59 2jwe h THR 59 N 0.14 1.26 -0.73 1.05 2.02 -2.01 -2.89 112.91 111.75 2jwe h THR 59 Ca 0.31 -1.02 0.07 0.00 0.77 0.00 0.00 66.41 66.55 2jwe h THR 59 Cb 1.02 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 2jwe h THR 59 CO -0.04 0.38 0.41 -0.78 0.37 0.00 0.00 175.52 175.86 2jwe h ASP 60 N 1.01 0.59 -0.82 4.18 1.82 -1.29 -1.57 116.42 120.34 2jwe h ASP 60 Ca 0.20 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.92 2jwe h ASP 60 Cb 0.42 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 2jwe h ASP 60 CO 0.01 0.36 0.52 0.00 -1.61 0.00 0.00 179.24 178.52 2jwe h ALA 61 N 1.39 1.09 -0.43 -0.78 0.00 -1.44 -1.18 119.26 117.92 2jwe h ALA 61 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2jwe h ALA 61 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jwe h ALA 61 CO -0.21 0.31 0.16 0.87 0.00 0.00 0.00 179.25 180.38 2jwe h LYS 62 N 0.99 0.61 -0.59 0.00 1.57 -1.21 -2.44 116.57 115.49 2jwe h LYS 62 Ca 0.34 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2jwe h LYS 62 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2jwe h LYS 62 CO -0.13 0.51 -0.03 1.15 -0.57 0.00 0.00 179.45 180.38 2jwe h THR 63 N 0.60 1.27 -0.68 -0.16 2.02 -0.60 -2.72 112.91 112.64 2jwe h THR 63 Ca 0.15 -1.19 0.12 0.00 0.77 0.00 0.00 66.41 66.25 2jwe h THR 63 Cb 0.14 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2jwe h THR 63 CO -0.01 0.43 0.46 -0.07 0.37 0.00 0.00 175.52 176.69 2jwe h LEU 64 N 0.96 0.41 -0.78 2.58 3.38 -0.89 0.22 115.31 121.19 2jwe h LEU 64 Ca 0.16 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2jwe h LEU 64 Cb 0.60 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jwe h LEU 64 CO 0.04 0.23 -0.58 0.40 0.09 0.00 0.00 178.44 178.62 2jwe h ILE 65 N 0.45 1.40 -0.05 1.22 2.04 -1.43 -2.72 117.51 118.42 2jwe h ILE 65 Ca 0.32 -1.97 -0.21 0.00 1.00 0.00 0.00 64.86 64.00 2jwe h ILE 65 Cb 0.66 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2jwe h ILE 65 CO -0.10 0.57 -0.85 -0.33 0.00 0.00 0.00 178.15 177.44 2jwe h GLU 66 N 0.07 0.50 0.00 2.37 5.08 -0.50 -3.15 114.58 118.95 2jwe h GLU 66 Ca -0.00 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 2jwe h GLU 66 Cb 1.05 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2jwe h GLU 66 CO 0.08 1.10 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.85 2jwe h ARG 67 N 0.31 0.00 -5.79 2.33 2.43 -1.01 -3.42 114.38 109.24 2jwe h ARG 67 Ca -0.06 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.63 2jwe h ARG 67 Cb 1.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 2jwe h ARG 67 CO 0.15 0.26 1.50 -1.12 -1.51 0.00 0.00 179.97 179.25 2jwe s SER 68 N -6.31 4.84 0.04 -3.80 0.01 -1.03 -4.86 113.70 102.59 2jwe s SER 68 Ca -0.01 0.75 -0.29 0.00 1.31 0.00 0.00 55.95 57.71 2jwe s SER 68 Cb 0.11 -2.51 -0.17 0.00 0.21 0.00 0.00 66.02 63.66 2jwe s SER 68 CO 0.65 -2.64 1.44 0.11 0.41 0.00 0.00 173.24 173.21 2jwe h LYS 69 N 17.38 -0.72 0.00 12.44 1.79 -1.88 -3.46 116.57 142.12 2jwe h LYS 69 Ca -0.25 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2jwe h LYS 69 Cb 1.22 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2jwe h LYS 69 CO 1.18 -0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 2jwe n GLY 70 N -1.02 0.53 3.77 3.86 0.00 -1.26 -5.09 105.19 105.99 2jwe n GLY 70 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 4.10 -0.13 1.61 3.01 -1.26 -5.05 119.74 122.02 2jwe s LYS 71 Ca 0.00 1.71 0.02 0.00 -1.01 0.00 0.00 55.97 56.69 2jwe s LYS 71 Cb 0.00 -2.63 0.01 0.00 -1.01 0.00 0.00 37.83 34.20 2jwe s LYS 71 CO 0.00 -0.25 -0.20 -1.17 0.51 0.00 0.00 175.35 174.24 2jwe s LEU 72 N -2.54 2.01 -0.18 3.17 0.20 -1.26 -4.94 118.68 115.14 2jwe s LEU 72 Ca 0.57 -0.56 -0.05 0.00 0.69 0.00 0.00 54.13 54.79 2jwe s LEU 72 Cb -0.27 -1.35 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2jwe s LEU 72 CO 0.34 0.06 -0.01 -0.75 -0.29 0.00 0.00 176.35 175.71 2jwe s LYS 73 N 0.85 3.66 -0.04 1.98 2.36 -1.26 -5.00 119.74 122.29 2jwe s LYS 73 Ca -0.07 -0.51 -0.00 0.00 -2.55 0.00 0.00 55.97 52.84 2jwe s LYS 73 Cb -0.15 -3.03 0.03 0.00 -1.05 0.00 0.00 37.83 33.62 2jwe s LYS 73 CO -0.02 0.11 0.01 -1.64 1.55 0.00 0.00 175.35 175.36 2jwe s MET 74 N 0.74 0.35 -0.40 4.03 -1.94 -1.26 0.78 119.30 121.60 2jwe s MET 74 Ca -0.00 0.12 -0.16 0.00 -1.71 0.00 0.00 55.69 53.94 2jwe s MET 74 Cb -0.14 -0.62 0.01 0.00 2.01 0.00 0.00 34.83 36.09 2jwe s MET 74 CO 0.02 -0.20 0.36 0.08 -0.01 0.00 0.00 175.02 175.28 2jwe s VAL 75 N 1.40 5.18 0.49 -6.03 1.01 0.02 -5.00 120.40 117.47 2jwe s VAL 75 Ca -0.04 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2jwe s VAL 75 Cb -0.13 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2jwe s VAL 75 CO -0.03 -0.31 0.49 0.68 0.00 0.00 0.00 175.10 175.93 2jwe s VAL 76 N 1.92 2.30 -0.14 2.92 -7.23 -1.26 0.50 120.40 119.42 2jwe s VAL 76 Ca 0.09 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.94 2jwe s VAL 76 Cb -0.18 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2jwe s VAL 76 CO 0.12 0.00 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.32 2jwe s GLN 77 N -4.31 3.51 0.03 4.82 2.00 -0.91 -4.88 119.66 119.93 2jwe s GLN 77 Ca 0.48 -0.45 -0.29 0.00 -2.00 0.00 0.00 55.36 53.10 2jwe s GLN 77 Cb -0.04 -2.93 0.10 0.00 0.80 0.00 0.00 33.01 30.94 2jwe s GLN 77 CO 0.29 0.39 1.08 1.03 -0.50 0.00 0.00 175.29 177.58 2jwe s ARG 78 N -0.03 0.77 -0.81 1.67 1.81 -1.26 -4.62 118.95 116.47 2jwe s ARG 78 Ca 0.03 -0.39 -0.13 0.00 -1.72 0.00 0.00 55.73 53.51 2jwe s ARG 78 Cb -0.13 0.28 0.21 0.00 -0.45 0.00 0.00 34.95 34.87 2jwe s ARG 78 CO 0.02 -0.35 0.74 0.34 -0.68 0.00 0.00 175.30 175.37 2jwe s ASP 79 N -2.78 6.62 -0.09 0.23 2.15 -1.26 -4.99 116.67 116.54 2jwe s ASP 79 Ca 0.11 -2.73 -0.31 0.00 0.43 0.00 0.00 52.55 50.06 2jwe s ASP 79 Cb 0.01 -2.17 0.12 0.00 -0.30 0.00 0.00 42.92 40.57 2jwe s ASP 79 CO -0.02 -0.55 1.00 -0.70 -0.17 0.00 0.00 175.17 174.73 2jwe s GLU 80 N 0.11 0.62 -0.46 4.34 2.12 -1.26 -5.06 118.70 119.12 2jwe s GLU 80 Ca 0.18 -0.14 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 2jwe s GLU 80 Cb -0.11 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.58 2jwe s GLU 80 CO -0.08 -0.25 0.52 -0.11 -0.54 0.00 0.00 175.26 174.80 2jwe n LEU 81 N 0.06 -6.49 0.00 2.70 -0.00 -1.26 -5.23 117.00 106.77 2jwe n LEU 81 Ca -0.07 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2jwe n LEU 81 Cb 0.60 -2.94 0.00 0.00 -0.00 0.00 0.00 43.42 41.08 2jwe n LEU 81 CO 0.11 -1.52 0.12 -0.62 -0.00 0.00 0.00 177.39 175.48