#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 1.81 -0.22 -0.78 3.01 -1.26 -5.13 119.74 117.18 2jwe s LYS 2 Ca 0.00 -0.56 -0.08 0.00 -1.01 0.00 0.00 55.97 54.32 2jwe s LYS 2 Cb 0.00 -1.53 -0.04 0.00 -1.01 0.00 0.00 37.83 35.25 2jwe s LYS 2 CO 0.00 0.18 0.09 0.08 0.51 0.00 0.00 175.35 176.21 2jwe s VAL 3 N 0.23 4.80 -0.26 3.17 1.01 -1.26 -5.07 120.40 123.01 2jwe s VAL 3 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jwe s VAL 3 Cb -0.13 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.12 2jwe s VAL 3 CO 0.03 0.39 0.01 -0.89 0.00 0.00 0.00 175.10 174.64 2jwe s THR 4 N 0.92 1.34 0.25 3.92 2.01 -1.26 -5.13 115.64 117.69 2jwe s THR 4 Ca 0.05 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.77 2jwe s THR 4 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2jwe s THR 4 CO 0.03 -0.34 0.24 -0.76 -0.69 0.00 0.00 174.62 173.10 2jwe s LEU 5 N 1.44 3.96 -0.23 4.42 1.43 -1.26 -5.12 118.68 123.33 2jwe s LEU 5 Ca 0.01 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2jwe s LEU 5 Cb -0.18 -2.49 0.07 0.00 0.03 0.00 0.00 46.19 43.62 2jwe s LEU 5 CO -0.12 -0.04 0.08 -0.69 0.23 0.00 0.00 176.35 175.81 2jwe s VAL 6 N -2.08 0.32 -0.62 -1.59 1.01 -1.26 -5.00 120.40 111.18 2jwe s VAL 6 Ca 0.33 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2jwe s VAL 6 Cb -0.08 -1.01 0.15 0.00 0.00 0.00 0.00 36.38 35.44 2jwe s VAL 6 CO 0.26 -0.40 0.88 2.29 0.00 0.00 0.00 175.10 178.13 2jwe n LYS 7 N 5.11 1.62 -0.02 2.72 2.85 -1.26 -3.55 118.16 125.63 2jwe n LYS 7 Ca -0.07 -0.62 -0.02 0.00 -1.05 0.00 0.00 58.31 56.55 2jwe n LYS 7 Cb 0.46 -1.53 -0.03 0.00 -0.65 0.00 0.00 35.03 33.28 2jwe n LYS 7 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jwe n SER 8 N 0.14 3.92 0.14 -5.58 2.88 -1.26 -4.74 113.62 109.12 2jwe n SER 8 Ca 0.07 -0.01 -0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2jwe n SER 8 Cb 0.53 0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.34 -5.98 -1.46 2.43 -1.95 -3.44 114.38 103.64 2jwe h ARG 9 Ca -0.10 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.48 2jwe h ARG 9 Cb 1.20 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 2jwe h ARG 9 CO -0.00 -0.22 -0.42 0.21 -1.51 0.00 0.00 179.97 178.02 2jwe s LYS 10 N -3.72 3.52 -0.96 0.20 2.20 -1.26 -4.99 119.74 114.72 2jwe s LYS 10 Ca -0.05 -0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.10 2jwe s LYS 10 Cb 0.01 -2.99 -0.11 0.00 -1.51 0.00 0.00 37.83 33.23 2jwe s LYS 10 CO 0.15 0.58 1.98 0.27 -0.36 0.00 0.00 175.35 177.96 2jwe n ASN 11 N 0.41 2.92 -3.63 1.43 6.94 -1.26 -4.79 115.26 117.28 2jwe n ASN 11 Ca -0.06 -2.72 -0.09 0.00 -0.02 0.00 0.00 54.58 51.69 2jwe n ASN 11 Cb 0.52 -1.30 -0.02 0.00 -2.36 0.00 0.00 39.78 36.61 2jwe n ASN 11 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2jwe s GLU 12 N 4.78 1.46 0.55 -3.83 2.02 -1.26 -5.18 118.70 117.25 2jwe s GLU 12 Ca 0.56 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.95 2jwe s GLU 12 Cb 0.12 0.58 0.06 0.00 0.10 0.00 0.00 34.13 34.99 2jwe s GLU 12 CO 0.08 -0.66 0.62 -1.21 0.02 0.00 0.00 175.26 174.11 2jwe s GLU 13 N -3.76 2.32 0.07 1.61 2.02 -1.26 -4.66 118.70 115.04 2jwe s GLU 13 Ca 0.06 -1.76 -0.20 0.00 0.02 0.00 0.00 54.97 53.09 2jwe s GLU 13 Cb -0.03 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 2jwe s GLU 13 CO -0.04 -0.71 1.49 1.88 0.02 0.00 0.00 175.26 177.90 2jwe h TYR 14 N 0.46 0.41 -5.93 1.61 0.05 -1.97 -3.48 116.97 108.11 2jwe h TYR 14 Ca -0.33 -0.08 -0.38 0.00 0.05 0.00 0.00 58.73 57.99 2jwe h TYR 14 Cb 1.29 -0.10 0.10 0.00 1.01 0.00 0.00 36.73 39.03 2jwe h TYR 14 CO 0.64 0.58 -0.83 0.41 -1.05 0.00 0.00 178.16 177.91 2jwe n GLY 15 N -0.25 -0.49 3.14 3.88 0.00 -1.26 -5.00 105.19 105.21 2jwe n GLY 15 Ca -0.04 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.42 2.02 -0.18 0.99 0.05 -1.26 -5.10 118.68 108.78 2jwe s LEU 16 Ca 0.11 -0.57 -0.29 0.00 0.05 0.00 0.00 54.13 53.43 2jwe s LEU 16 Cb -0.03 -1.37 -0.02 0.00 -2.05 0.00 0.00 46.19 42.73 2jwe s LEU 16 CO 0.79 0.06 1.36 -0.13 -0.55 0.00 0.00 176.35 177.88 2jwe s ARG 17 N 0.90 4.13 -0.17 1.48 0.52 -1.26 -5.01 118.95 119.54 2jwe s ARG 17 Ca -0.06 1.67 -0.05 0.00 -0.52 0.00 0.00 55.73 56.77 2jwe s ARG 17 Cb -0.15 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 2jwe s ARG 17 CO -0.03 -0.86 0.00 -1.17 0.02 0.00 0.00 175.30 173.27 2jwe s LEU 18 N 3.90 3.44 0.00 2.53 1.98 -1.26 -5.10 118.68 124.17 2jwe s LEU 18 Ca 0.59 -0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.81 2jwe s LEU 18 Cb -0.23 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 2jwe s LEU 18 CO 0.20 0.15 0.18 0.00 -1.89 0.00 0.00 176.35 174.99 2jwe n ALA 19 N 3.64 0.61 -2.45 5.97 0.00 -1.26 -5.15 120.51 121.88 2jwe n ALA 19 Ca -0.17 -2.08 -0.12 0.00 0.00 0.00 0.00 53.44 51.07 2jwe n ALA 19 Cb 0.52 1.46 -0.11 0.00 0.00 0.00 0.00 19.45 21.32 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 -3.51 1.03 0.42 0.00 1.04 -1.26 -4.99 113.70 106.43 2jwe s SER 20 Ca 0.25 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.89 2jwe s SER 20 Cb 0.01 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2jwe s SER 20 CO 0.18 -0.36 0.06 -1.00 0.98 0.00 0.00 173.24 173.10 2jwe s HIS 21 N -2.70 1.96 -0.03 5.02 3.76 -1.26 0.45 115.29 122.48 2jwe s HIS 21 Ca 0.03 -1.02 0.01 0.00 -0.15 0.00 0.00 55.06 53.93 2jwe s HIS 21 Cb -0.01 -1.41 0.02 0.00 1.11 0.00 0.00 32.58 32.29 2jwe s HIS 21 CO -0.03 0.04 -0.05 0.42 -0.85 0.00 0.00 174.74 174.27 2jwe s ILE 22 N -3.06 0.52 0.30 0.60 -1.09 -1.24 -4.83 121.20 112.40 2jwe s ILE 22 Ca 0.23 -0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.54 2jwe s ILE 22 Cb 0.05 -0.52 -0.03 0.00 -1.58 0.00 0.00 42.46 40.38 2jwe s ILE 22 CO 0.12 0.20 0.26 0.72 -1.23 0.00 0.00 174.94 175.01 2jwe s PHE 23 N 0.63 1.57 -0.34 3.97 -0.71 -1.26 -1.84 117.98 120.00 2jwe s PHE 23 Ca -0.08 -1.57 -0.12 0.00 -1.04 0.00 0.00 56.93 54.12 2jwe s PHE 23 Cb -0.12 -0.63 -0.00 0.00 -1.21 0.00 0.00 43.02 41.07 2jwe s PHE 23 CO 0.00 -0.84 0.21 0.08 -1.34 0.00 0.00 175.22 173.33 2jwe s VAL 24 N -3.57 4.94 0.18 -2.49 1.01 -0.52 -4.85 120.40 115.10 2jwe s VAL 24 Ca 0.39 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 2jwe s VAL 24 Cb 0.03 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2jwe s VAL 24 CO 0.24 -0.06 1.84 0.50 0.00 0.00 0.00 175.10 177.62 2jwe h LYS 25 N 8.45 0.71 0.00 2.72 1.63 -1.91 -1.93 116.57 126.24 2jwe h LYS 25 Ca -0.30 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2jwe h LYS 25 Cb 1.14 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2jwe h LYS 25 CO 0.64 0.47 0.00 0.39 -3.45 0.00 0.00 179.45 177.51 2jwe n GLU 26 N -4.71 -2.95 -5.24 1.90 1.02 -1.26 -4.53 120.64 104.86 2jwe n GLU 26 Ca 0.03 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 2jwe n GLU 26 Cb 0.03 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.28 2jwe n GLU 26 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jwe s ILE 27 N -2.04 2.05 0.62 -3.67 1.09 -1.26 -4.91 121.20 113.09 2jwe s ILE 27 Ca 0.00 -1.04 -0.14 0.00 -1.10 0.00 0.00 60.65 58.37 2jwe s ILE 27 Cb 0.00 -1.75 -0.02 0.00 -1.06 0.00 0.00 42.46 39.63 2jwe s ILE 27 CO 0.00 0.56 1.05 -0.44 -0.10 0.00 0.00 174.94 176.02 2jwe s SER 28 N 0.03 5.71 0.28 3.58 0.01 -1.26 -4.95 113.70 117.10 2jwe s SER 28 Ca -0.10 1.72 -0.23 0.00 1.31 0.00 0.00 55.95 58.66 2jwe s SER 28 Cb -0.15 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 2jwe s SER 28 CO 0.06 -1.21 0.84 0.00 0.41 0.00 0.00 173.24 173.33 2jwe s GLN 29 N -4.43 4.41 -1.47 12.44 -2.07 -1.26 -3.81 119.66 123.47 2jwe s GLN 29 Ca 0.61 1.09 -0.07 0.00 -1.82 0.00 0.00 55.36 55.18 2jwe s GLN 29 Cb -0.15 -2.81 0.03 0.00 -1.09 0.00 0.00 33.01 28.99 2jwe s GLN 29 CO 0.43 0.32 0.64 -0.25 -1.32 0.00 0.00 175.29 175.11 2jwe n ASP 30 N 0.57 -5.40 -4.73 12.60 8.00 -1.26 -4.98 116.55 121.35 2jwe n ASP 30 Ca 0.00 -0.36 -0.26 0.00 0.71 0.00 0.00 54.79 54.88 2jwe n ASP 30 Cb 0.51 -4.37 -0.08 0.00 -0.02 0.00 0.00 41.12 37.16 2jwe n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jwe s SER 31 N -2.78 4.31 0.21 -2.24 0.01 -1.25 -4.97 113.70 106.98 2jwe s SER 31 Ca 0.37 -1.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 2jwe s SER 31 Cb -0.18 -0.33 0.21 0.00 0.21 0.00 0.00 66.02 65.93 2jwe s SER 31 CO 0.46 -0.58 1.83 -0.07 0.41 0.00 0.00 173.24 175.28 2jwe h LEU 32 N 1.45 0.64 -0.34 2.44 3.38 -1.94 0.18 115.31 121.12 2jwe h LEU 32 Ca -0.43 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2jwe h LEU 32 Cb 1.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2jwe h LEU 32 CO 0.72 0.43 0.07 0.00 0.09 0.00 0.00 178.44 179.75 2jwe h ALA 33 N 1.32 0.45 -0.38 1.53 0.00 -1.96 0.41 119.26 120.63 2jwe h ALA 33 Ca 0.29 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jwe h ALA 33 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jwe h ALA 33 CO -0.14 0.13 -0.14 0.00 0.00 0.00 0.00 179.25 179.10 2jwe h ALA 34 N 0.91 1.04 -0.00 0.00 0.00 -1.63 -0.98 119.26 118.59 2jwe h ALA 34 Ca 0.10 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2jwe h ALA 34 Cb 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jwe h ALA 34 CO 0.00 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 2jwe h ARG 35 N 0.62 0.23 -0.75 0.00 2.47 -0.51 -3.28 114.38 113.16 2jwe h ARG 35 Ca 0.10 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2jwe h ARG 35 Cb 0.60 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.95 2jwe h ARG 35 CO 0.04 0.96 0.48 0.22 0.56 0.00 0.00 179.97 182.23 2jwe h ASP 36 N -0.40 0.88 -3.07 7.04 1.82 -0.15 -3.47 116.42 119.07 2jwe h ASP 36 Ca -0.04 -0.03 -0.30 0.00 -0.39 0.00 0.00 57.03 56.27 2jwe h ASP 36 Cb 1.07 -0.22 0.03 0.00 0.68 0.00 0.00 39.33 40.89 2jwe h ASP 36 CO 0.06 0.66 -0.43 0.61 -1.61 0.00 0.00 179.24 178.53 2jwe n GLY 37 N -1.37 -0.20 0.07 -0.78 0.00 -0.38 -4.91 105.19 97.63 2jwe n GLY 37 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.22 1.68 -4.89 1.61 5.03 -1.26 -4.99 115.26 111.23 2jwe n ASN 38 Ca -0.11 -0.02 -0.34 0.00 0.87 0.00 0.00 54.58 54.99 2jwe n ASN 38 Cb 0.60 0.66 -0.05 0.00 -1.02 0.00 0.00 39.78 39.97 2jwe n ASN 38 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jwe s ILE 39 N -2.35 5.24 0.12 2.41 1.01 -1.26 -5.11 121.20 121.26 2jwe s ILE 39 Ca -0.10 0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.78 2jwe s ILE 39 Cb 0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2jwe s ILE 39 CO 0.55 0.27 -0.13 -1.58 0.00 0.00 0.00 174.94 174.05 2jwe s GLN 40 N -2.01 1.01 0.01 2.79 0.74 -1.26 -4.93 119.66 116.01 2jwe s GLN 40 Ca 0.32 -1.25 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 2jwe s GLN 40 Cb -0.13 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 2jwe s GLN 40 CO 0.19 0.16 1.03 -1.83 -0.55 0.00 0.00 175.29 174.29 2jwe s GLU 41 N -2.75 4.52 0.00 1.67 -1.05 -1.26 -3.45 118.70 116.38 2jwe s GLU 41 Ca 0.09 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.41 2jwe s GLU 41 Cb -0.04 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.21 2jwe s GLU 41 CO 0.03 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.54 2jwe n GLY 42 N 2.98 1.67 3.81 -3.83 0.00 -0.72 -5.01 105.19 104.09 2jwe n GLY 42 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2jwe n GLY 42 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jwe s ASP 43 N -1.62 5.59 -0.25 1.61 -4.77 -1.22 -4.82 116.67 111.19 2jwe s ASP 43 Ca 0.00 1.70 -0.04 0.00 -3.30 0.00 0.00 52.55 50.90 2jwe s ASP 43 Cb 0.00 -2.51 0.01 0.00 -1.09 0.00 0.00 42.92 39.32 2jwe s ASP 43 CO 0.00 -1.30 -0.00 -0.69 0.70 0.00 0.00 175.17 173.88 2jwe s VAL 44 N -2.79 3.47 0.09 2.11 1.01 -1.26 -1.44 120.40 121.60 2jwe s VAL 44 Ca 0.60 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 2jwe s VAL 44 Cb -0.15 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 2jwe s VAL 44 CO 0.47 0.25 0.84 -0.69 0.00 0.00 0.00 175.10 175.97 2jwe s VAL 45 N 1.45 4.57 -0.21 2.92 1.01 -0.76 -0.58 120.40 128.79 2jwe s VAL 45 Ca 0.03 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.87 2jwe s VAL 45 Cb -0.16 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 31.86 2jwe s VAL 45 CO -0.01 0.38 -0.15 -0.11 0.00 0.00 0.00 175.10 175.20 2jwe n LEU 46 N 2.57 2.50 -4.09 3.92 0.00 0.11 -4.47 117.00 117.54 2jwe n LEU 46 Ca -0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 56.01 55.77 2jwe n LEU 46 Cb 0.49 -0.58 -0.11 0.00 0.00 0.00 0.00 43.42 43.22 2jwe n LEU 46 CO 0.49 0.80 -0.40 -0.54 0.00 0.00 0.00 177.39 177.74 2jwe s LYS 47 N -2.44 0.60 -0.03 1.96 1.02 -1.18 -0.32 119.74 119.34 2jwe s LYS 47 Ca -0.26 -0.88 -0.00 0.00 0.02 0.00 0.00 55.97 54.85 2jwe s LYS 47 Cb 0.07 -0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.12 2jwe s LYS 47 CO 0.54 0.04 0.03 0.42 -0.92 0.00 0.00 175.35 175.46 2jwe s ILE 48 N -1.81 0.02 -0.92 2.17 1.01 0.21 -0.42 121.20 121.46 2jwe s ILE 48 Ca -0.06 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2jwe s ILE 48 Cb -0.07 -0.18 0.06 0.00 0.01 0.00 0.00 42.46 42.28 2jwe s ILE 48 CO -0.01 0.14 0.26 -0.46 0.00 0.00 0.00 174.94 174.87 2jwe n ASN 49 N 4.51 -2.65 -0.36 3.58 0.23 0.22 -0.55 115.26 120.24 2jwe n ASN 49 Ca -0.20 -0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 2jwe n ASN 49 Cb 0.50 -2.28 0.00 0.00 -2.08 0.00 0.00 39.78 35.92 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 -0.88 0.92 3.21 4.83 0.00 -1.26 -4.97 105.19 107.04 2jwe n GLY 50 Ca -0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.73 -0.01 0.58 2.61 2.01 0.29 -5.15 115.64 113.24 2jwe s THR 51 Ca 0.00 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 2jwe s THR 51 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2jwe s THR 51 CO 0.00 0.01 1.24 -0.69 -0.69 0.00 0.00 174.62 174.49 2jwe s VAL 52 N 0.42 2.52 -0.42 3.82 1.01 -1.26 0.68 120.40 127.17 2jwe s VAL 52 Ca -0.02 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.40 2jwe s VAL 52 Cb -0.04 -3.15 0.38 0.00 0.00 0.00 0.00 36.38 33.58 2jwe s VAL 52 CO -0.02 -0.05 0.88 0.41 0.00 0.00 0.00 175.10 176.32 2jwe n THR 53 N -1.43 1.22 -4.19 3.92 -1.04 0.56 -4.77 114.28 108.54 2jwe n THR 53 Ca 0.13 -4.55 -0.16 0.00 -2.04 0.00 0.00 64.05 57.43 2jwe n THR 53 Cb 0.49 -0.47 -0.14 0.00 -1.82 0.00 0.00 70.33 68.38 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 -2.98 0.48 0.00 -2.82 2.12 -1.26 -3.71 118.70 110.53 2jwe s GLU 54 Ca 0.40 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.51 2jwe s GLU 54 Cb 0.36 -0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2jwe s GLU 54 CO -0.08 0.12 0.00 0.09 -0.54 0.00 0.00 175.26 174.85 2jwe n ASN 55 N 2.89 -3.88 -4.97 -1.70 3.02 0.17 -4.97 115.26 105.82 2jwe n ASN 55 Ca -0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.21 2jwe n ASN 55 Cb 0.58 -2.18 0.03 0.00 -0.61 0.00 0.00 39.78 37.60 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 -1.11 2.61 0.32 3.52 -1.94 -1.26 -4.76 119.30 116.68 2jwe s MET 56 Ca 0.00 -0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 53.01 2jwe s MET 56 Cb 0.00 -2.52 -0.09 0.00 2.01 0.00 0.00 34.83 34.23 2jwe s MET 56 CO 0.00 -0.64 0.79 0.45 -0.01 0.00 0.00 175.02 175.62 2jwe s SER 57 N -4.40 6.93 0.51 3.03 0.15 -1.26 -4.86 113.70 113.80 2jwe s SER 57 Ca 0.56 1.44 0.20 0.00 0.70 0.00 0.00 55.95 58.85 2jwe s SER 57 Cb -0.10 -2.43 1.28 0.00 -1.71 0.00 0.00 66.02 63.05 2jwe s SER 57 CO 0.38 -0.16 2.04 0.25 1.20 0.00 0.00 173.24 176.95 2jwe h LEU 58 N 2.57 0.08 -0.63 3.45 5.85 -1.98 -0.02 115.31 124.63 2jwe h LEU 58 Ca -0.48 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 2jwe h LEU 58 Cb 1.18 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2jwe h LEU 58 CO 0.64 0.05 -0.26 0.74 -0.34 0.00 0.00 178.44 179.28 2jwe h THR 59 N 0.09 1.27 -0.94 1.05 2.02 -2.01 -2.93 112.91 111.46 2jwe h THR 59 Ca 0.18 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.98 2jwe h THR 59 Cb 0.60 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 2jwe h THR 59 CO -0.02 0.46 0.62 -0.78 0.37 0.00 0.00 175.52 176.18 2jwe h ASP 60 N 0.69 1.08 -0.95 4.18 1.82 -1.38 -1.92 116.42 119.94 2jwe h ASP 60 Ca 0.09 -0.03 0.05 0.00 -0.39 0.00 0.00 57.03 56.75 2jwe h ASP 60 Cb 0.78 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.47 2jwe h ASP 60 CO 0.06 0.78 0.62 0.00 -1.61 0.00 0.00 179.24 179.09 2jwe h ALA 61 N 1.41 1.42 -0.58 -0.78 0.00 -1.32 -1.07 119.26 118.35 2jwe h ALA 61 Ca 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jwe h ALA 61 Cb -0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 2jwe h ALA 61 CO -0.08 0.46 0.25 0.87 0.00 0.00 0.00 179.25 180.76 2jwe h LYS 62 N 1.15 0.83 -0.63 0.00 1.79 -1.32 -2.40 116.57 116.00 2jwe h LYS 62 Ca 0.39 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.67 2jwe h LYS 62 Cb 0.09 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 2jwe h LYS 62 CO -0.14 0.67 0.09 1.15 -1.08 0.00 0.00 179.45 180.15 2jwe h THR 63 N 0.82 1.26 -0.68 -0.16 2.02 -0.99 -2.54 112.91 112.64 2jwe h THR 63 Ca 0.20 -1.01 0.11 0.00 0.77 0.00 0.00 66.41 66.48 2jwe h THR 63 Cb 0.13 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2jwe h THR 63 CO -0.02 0.38 0.45 -0.07 0.37 0.00 0.00 175.52 176.63 2jwe h LEU 64 N 0.96 0.43 -0.35 2.58 3.38 -0.90 0.11 115.31 121.52 2jwe h LEU 64 Ca 0.19 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 2jwe h LEU 64 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jwe h LEU 64 CO 0.01 0.25 -0.83 0.40 0.09 0.00 0.00 178.44 178.36 2jwe h ILE 65 N 0.47 1.55 0.14 1.22 2.04 -1.41 -2.72 117.51 118.80 2jwe h ILE 65 Ca 0.32 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.45 2jwe h ILE 65 Cb 0.62 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2jwe h ILE 65 CO -0.10 0.78 -0.07 -0.33 0.00 0.00 0.00 178.15 178.43 2jwe h GLU 66 N 0.04 -0.19 -0.01 2.37 5.08 -0.67 -3.26 114.58 117.94 2jwe h GLU 66 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jwe h GLU 66 Cb 1.46 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 2jwe h GLU 66 CO 0.11 0.24 0.01 0.07 -1.00 0.00 0.00 179.01 178.45 2jwe h ARG 67 N -0.91 0.00 -6.16 2.33 0.11 -1.01 -3.42 114.38 105.32 2jwe h ARG 67 Ca -0.02 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.46 2jwe h ARG 67 Cb 0.51 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.60 2jwe h ARG 67 CO 0.03 0.00 1.30 0.43 0.10 0.00 0.00 179.97 181.83 2jwe n SER 68 N -3.98 3.34 -4.45 0.08 7.64 -1.03 -4.93 113.62 110.30 2jwe n SER 68 Ca -0.03 0.64 -0.44 0.00 1.01 0.00 0.00 58.87 60.06 2jwe n SER 68 Cb 0.10 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 61.80 2jwe n SER 68 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jwe s LYS 69 N 5.17 3.13 6.29 1.43 0.00 -1.26 -4.89 119.74 129.61 2jwe s LYS 69 Ca 0.97 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 56.07 2jwe s LYS 69 Cb -0.56 -4.09 0.00 0.00 0.00 0.00 0.00 37.83 33.18 2jwe s LYS 69 CO 0.45 -1.21 0.00 0.41 0.00 0.00 0.00 175.35 175.00 2jwe n GLY 70 N 5.16 1.81 3.77 0.59 0.00 -1.26 -4.88 105.19 110.38 2jwe n GLY 70 Ca -0.06 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 2.97 -0.05 1.61 3.01 -1.26 -5.06 119.74 120.96 2jwe s LYS 71 Ca 0.00 1.47 0.02 0.00 -1.01 0.00 0.00 55.97 56.45 2jwe s LYS 71 Cb 0.00 -1.97 0.01 0.00 -1.01 0.00 0.00 37.83 34.87 2jwe s LYS 71 CO 0.00 -1.13 -0.11 -1.17 0.51 0.00 0.00 175.35 173.46 2jwe s LEU 72 N -4.52 1.62 -0.11 3.17 0.20 -1.26 -4.98 118.68 112.80 2jwe s LEU 72 Ca 0.69 -0.25 -0.03 0.00 0.69 0.00 0.00 54.13 55.23 2jwe s LEU 72 Cb -0.22 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 2jwe s LEU 72 CO 0.37 0.03 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.90 2jwe s LYS 73 N 0.61 3.26 -0.06 1.98 1.02 -1.26 -4.96 119.74 120.32 2jwe s LYS 73 Ca -0.12 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 2jwe s LYS 73 Cb -0.14 -2.84 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2jwe s LYS 73 CO 0.03 0.51 0.01 -1.64 -0.92 0.00 0.00 175.35 173.34 2jwe s MET 74 N -0.36 0.48 -0.18 1.68 -1.94 -1.26 0.73 119.30 118.45 2jwe s MET 74 Ca 0.07 0.14 -0.10 0.00 -1.71 0.00 0.00 55.69 54.08 2jwe s MET 74 Cb -0.12 -0.85 -0.05 0.00 2.01 0.00 0.00 34.83 35.82 2jwe s MET 74 CO 0.02 -0.28 0.17 0.08 -0.01 0.00 0.00 175.02 175.00 2jwe s VAL 75 N 1.87 5.39 0.19 -6.03 1.01 0.44 -4.99 120.40 118.28 2jwe s VAL 75 Ca 0.03 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2jwe s VAL 75 Cb -0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2jwe s VAL 75 CO -0.04 0.46 0.22 -0.69 0.00 0.00 0.00 175.10 175.05 2jwe s VAL 76 N 0.15 4.83 0.09 2.92 1.01 -1.26 0.06 120.40 128.20 2jwe s VAL 76 Ca 0.11 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2jwe s VAL 76 Cb -0.12 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 2jwe s VAL 76 CO 0.00 -0.19 0.43 -1.10 0.00 0.00 0.00 175.10 174.25 2jwe s GLN 77 N -3.43 3.80 -0.05 2.72 -0.21 0.25 -4.76 119.66 117.99 2jwe s GLN 77 Ca 0.33 0.24 0.23 0.00 0.02 0.00 0.00 55.36 56.18 2jwe s GLN 77 Cb -0.10 -2.98 0.41 0.00 1.00 0.00 0.00 33.01 31.34 2jwe s GLN 77 CO 0.26 0.54 1.15 0.54 -2.12 0.00 0.00 175.29 175.67 2jwe n ARG 78 N 0.88 0.31 -1.61 2.91 1.74 -1.26 -4.75 116.66 114.89 2jwe n ARG 78 Ca -0.07 -2.16 -0.13 0.00 -0.77 0.00 0.00 57.85 54.71 2jwe n ARG 78 Cb 0.52 -0.22 0.07 0.00 -1.02 0.00 0.00 32.46 31.81 2jwe n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jwe n ASP 79 N 0.25 0.65 -2.84 0.55 5.75 -1.26 -4.53 116.55 115.12 2jwe n ASP 79 Ca 0.03 -1.58 -0.22 0.00 -0.01 0.00 0.00 54.79 53.02 2jwe n ASP 79 Cb 1.05 -0.39 0.03 0.00 -1.03 0.00 0.00 41.12 40.78 2jwe n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jwe n GLU 80 N -2.11 -4.36 -5.03 0.11 -0.58 -1.26 -4.99 120.64 102.41 2jwe n GLU 80 Ca 0.09 0.90 -0.30 0.00 -0.42 0.00 0.00 57.16 57.44 2jwe n GLU 80 Cb 0.33 -5.68 -0.17 0.00 -0.57 0.00 0.00 31.44 25.35 2jwe n GLU 80 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jwe s LEU 81 N -6.39 1.96 0.00 -4.62 0.20 -1.26 -5.33 118.68 103.24 2jwe s LEU 81 Ca 0.26 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.61 2jwe s LEU 81 Cb -0.11 -1.22 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 2jwe s LEU 81 CO 0.32 0.14 0.00 1.21 -0.29 0.00 0.00 176.35 177.73