#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jw3 n LYS 2 N 0.00 0.24 -0.95 3.17 4.01 -1.26 -5.02 118.16 118.36 1jw3 n LYS 2 Ca 0.00 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1jw3 n LYS 2 Cb 0.00 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 1jw3 n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jw3 n GLY 3 N 2.79 0.77 3.87 0.72 0.00 -1.26 -4.63 105.19 107.45 1jw3 n GLY 3 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1jw3 n GLY 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jw3 s PHE 4 N -3.20 3.62 -0.11 1.61 -0.71 -1.25 -2.04 117.98 115.88 1jw3 s PHE 4 Ca 0.00 0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 56.42 1jw3 s PHE 4 Cb 0.00 -1.98 0.05 0.00 -1.21 0.00 0.00 43.02 39.88 1jw3 s PHE 4 CO 0.00 0.73 0.26 -1.83 -1.34 0.00 0.00 175.22 173.04 1jw3 s GLU 5 N -1.03 0.21 0.11 1.99 -1.05 0.44 -4.93 118.70 114.45 1jw3 s GLU 5 Ca 0.16 0.59 -0.07 0.00 -0.15 0.00 0.00 54.97 55.49 1jw3 s GLU 5 Cb -0.13 -0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.41 1jw3 s GLU 5 CO 0.05 -0.18 0.39 -0.59 0.95 0.00 0.00 175.26 175.88 1jw3 s PHE 6 N 1.44 3.52 0.40 4.83 -0.12 -1.26 0.13 117.98 126.92 1jw3 s PHE 6 Ca -0.08 0.67 0.08 0.00 -0.05 0.00 0.00 56.93 57.55 1jw3 s PHE 6 Cb -0.10 -2.08 -0.03 0.00 -0.63 0.00 0.00 43.02 40.17 1jw3 s PHE 6 CO -0.09 0.47 0.31 -0.59 -0.05 0.00 0.00 175.22 175.27 1jw3 s PHE 7 N -1.54 2.71 -0.56 3.49 -0.12 -0.92 -4.96 117.98 116.07 1jw3 s PHE 7 Ca 0.37 -0.49 -0.16 0.00 -0.05 0.00 0.00 56.93 56.61 1jw3 s PHE 7 Cb -0.13 -2.06 0.14 0.00 -0.63 0.00 0.00 43.02 40.34 1jw3 s PHE 7 CO 0.21 0.00 0.52 0.16 -0.05 0.00 0.00 175.22 176.06 1jw3 s ASP 8 N -4.05 6.22 0.11 1.98 -4.77 -1.26 -4.49 116.67 110.41 1jw3 s ASP 8 Ca 0.45 -1.85 0.04 0.00 -3.30 0.00 0.00 52.55 47.89 1jw3 s ASP 8 Cb -0.02 -2.21 -0.04 0.00 -1.09 0.00 0.00 42.92 39.56 1jw3 s ASP 8 CO 0.26 -0.84 0.07 -0.69 0.70 0.00 0.00 175.17 174.67 1jw3 s VAL 9 N 1.50 4.34 -0.52 2.11 1.01 -1.24 -5.08 120.40 122.52 1jw3 s VAL 9 Ca 0.04 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1jw3 s VAL 9 Cb -0.29 -3.12 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1jw3 s VAL 9 CO 0.02 0.06 0.58 -0.89 0.00 0.00 0.00 175.10 174.87 1jw3 s THR 10 N -1.47 4.97 0.00 3.92 2.01 -1.26 -4.20 115.64 119.61 1jw3 s THR 10 Ca 0.29 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1jw3 s THR 10 Cb -0.11 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1jw3 s THR 10 CO 0.21 -0.83 0.00 0.00 -0.69 0.00 0.00 174.62 173.31 1jw3 n ALA 11 N 5.91 0.00 -2.54 7.40 0.00 -1.26 -5.03 120.51 124.99 1jw3 n ALA 11 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 1jw3 n ALA 11 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1jw3 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1jw3 s ASP 12 N 0.00 3.19 -0.14 0.00 -4.77 -1.25 0.37 116.67 114.07 1jw3 s ASP 12 Ca 0.00 -1.36 -0.05 0.00 -3.30 0.00 0.00 52.55 47.84 1jw3 s ASP 12 Cb 0.00 -0.26 0.07 0.00 -1.09 0.00 0.00 42.92 41.64 1jw3 s ASP 12 CO 0.00 -0.50 0.28 0.00 0.70 0.00 0.00 175.17 175.65 1jw3 s ALA 13 N -2.97 -0.64 0.01 2.11 0.00 0.82 -3.61 121.76 117.48 1jw3 s ALA 13 Ca 0.35 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1jw3 s ALA 13 Cb 0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1jw3 s ALA 13 CO 0.17 -0.60 -0.17 0.20 0.00 0.00 0.00 175.76 175.36 1jw3 s GLY 14 N 2.30 1.54 -0.04 0.00 0.00 -1.25 0.11 107.32 109.98 1jw3 s GLY 14 Ca -0.00 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1jw3 s GLY 14 CO -0.09 -0.96 -0.05 -1.36 0.00 0.00 0.00 173.10 170.64 1jw3 s PHE 15 N -0.84 2.98 -0.18 1.90 0.40 -0.80 -2.16 117.98 119.28 1jw3 s PHE 15 Ca 0.13 0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1jw3 s PHE 15 Cb -0.11 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 1jw3 s PHE 15 CO 0.03 0.39 -0.06 -0.46 0.70 0.00 0.00 175.22 175.82 1jw3 s TRP 16 N -0.92 2.93 0.26 0.36 -0.00 0.34 -2.59 118.94 119.33 1jw3 s TRP 16 Ca 0.15 -0.70 0.08 0.00 -0.00 0.00 0.00 56.10 55.63 1jw3 s TRP 16 Cb -0.11 -2.00 -0.05 0.00 -0.00 0.00 0.00 33.47 31.31 1jw3 s TRP 16 CO 0.05 -0.33 -0.11 0.00 -0.00 0.00 0.00 176.95 176.56 1jw3 s ALA 17 N 0.90 2.35 0.26 5.86 0.00 -0.19 0.17 121.76 131.12 1jw3 s ALA 17 Ca -0.01 -1.84 0.10 0.00 0.00 0.00 0.00 51.96 50.21 1jw3 s ALA 17 Cb -0.15 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1jw3 s ALA 17 CO 0.01 0.03 -0.07 0.71 0.00 0.00 0.00 175.76 176.44 1jw3 s TYR 18 N -2.90 2.58 0.00 0.00 2.02 -0.87 -0.65 117.35 117.53 1jw3 s TYR 18 Ca 0.28 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1jw3 s TYR 18 Cb 0.01 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1jw3 s TYR 18 CO 0.11 0.64 0.00 0.41 -1.57 0.00 0.00 175.55 175.14 1jw3 n GLY 19 N -0.75 3.26 0.00 0.71 0.00 0.96 -3.78 105.19 105.59 1jw3 n GLY 19 Ca -0.06 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1jw3 n GLY 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1jw3 n HIS 20 N 0.00 0.00 -1.86 1.61 -0.00 -1.26 -4.64 115.22 109.07 1jw3 n HIS 20 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1jw3 n HIS 20 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1jw3 n HIS 20 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1jw3 n ASP 21 N 0.00 -0.69 0.00 0.26 8.00 -1.26 -4.97 116.55 117.89 1jw3 n ASP 21 Ca 0.00 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1jw3 n ASP 21 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1jw3 n LEU 22 N 0.00 0.00 0.12 0.64 4.77 -1.26 -4.46 117.00 116.81 1jw3 n LEU 22 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1jw3 n LEU 22 Cb 0.57 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.96 1jw3 n LEU 22 CO -0.10 0.00 0.75 -0.33 -1.33 0.00 0.00 177.39 176.38 1jw3 h GLU 23 N 0.00 0.20 -0.69 3.23 3.07 -1.95 -2.25 114.58 116.20 1jw3 h GLU 23 Ca 0.00 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1jw3 h GLU 23 Cb 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1jw3 h GLU 23 CO 0.00 0.49 0.39 1.49 -1.40 0.00 0.00 179.01 179.98 1jw3 h GLU 24 N 0.18 0.95 -0.05 2.33 4.22 -1.91 -2.71 114.58 117.59 1jw3 h GLU 24 Ca 0.03 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 1jw3 h GLU 24 Cb 0.63 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1jw3 h GLU 24 CO 0.05 0.70 -0.29 -0.39 -2.18 0.00 0.00 179.01 176.90 1jw3 h VAL 25 N 0.94 1.45 -0.10 0.32 -1.51 -1.59 -2.88 116.25 112.89 1jw3 h VAL 25 Ca 0.24 -1.75 0.04 0.00 -1.23 0.00 0.00 66.70 64.01 1jw3 h VAL 25 Cb 0.02 2.43 -0.06 0.00 -2.13 0.00 0.00 31.29 31.55 1jw3 h VAL 25 CO -0.04 0.49 -0.29 -0.26 -1.23 0.00 0.00 177.57 176.24 1jw3 h PHE 26 N -0.26 -0.80 -0.25 5.19 0.04 -1.38 -0.71 116.94 118.77 1jw3 h PHE 26 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1jw3 h PHE 26 Cb 0.95 0.37 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 1jw3 h PHE 26 CO 0.14 -0.38 -0.02 0.93 -0.60 0.00 0.00 178.31 178.38 1jw3 h GLU 27 N -0.38 0.38 -0.25 1.51 4.39 -1.61 -2.02 114.58 116.59 1jw3 h GLU 27 Ca 0.09 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1jw3 h GLU 27 Cb 0.52 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1jw3 h GLU 27 CO -0.31 0.42 -0.00 -0.91 -1.16 0.00 0.00 179.01 177.05 1jw3 h ASN 28 N 0.36 0.35 -0.59 1.42 4.21 -1.02 -2.15 115.58 118.17 1jw3 h ASN 28 Ca 0.08 -0.05 0.03 0.00 1.21 0.00 0.00 56.30 57.56 1jw3 h ASN 28 Cb 0.28 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 1jw3 h ASN 28 CO 0.01 0.41 0.39 0.00 -1.29 0.00 0.00 177.43 176.95 1jw3 h ALA 29 N 1.63 1.66 -0.63 -0.83 0.00 -0.40 -1.80 119.26 118.90 1jw3 h ALA 29 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1jw3 h ALA 29 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jw3 h ALA 29 CO 0.01 0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.58 1jw3 h ALA 30 N 1.65 0.84 -0.69 0.00 0.00 -1.44 -2.71 119.26 116.91 1jw3 h ALA 30 Ca 0.23 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1jw3 h ALA 30 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1jw3 h ALA 30 CO -0.06 0.66 0.46 1.25 0.00 0.00 0.00 179.25 181.56 1jw3 h LEU 31 N 0.99 0.43 0.02 0.00 7.12 -1.30 0.98 115.31 123.55 1jw3 h LEU 31 Ca 0.18 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1jw3 h LEU 31 Cb 0.51 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1jw3 h LEU 31 CO 0.02 0.24 -0.03 0.00 -0.13 0.00 0.00 178.44 178.54 1jw3 h ALA 32 N 1.66 -0.05 -0.01 1.25 0.00 -1.38 0.40 119.26 121.13 1jw3 h ALA 32 Ca 0.33 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1jw3 h ALA 32 Cb 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1jw3 h ALA 32 CO -0.10 -0.54 -0.59 1.98 0.00 0.00 0.00 179.25 180.00 1jw3 h MET 33 N -0.07 0.05 0.17 0.00 1.85 -1.39 -3.18 114.93 112.36 1jw3 h MET 33 Ca 0.01 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 1jw3 h MET 33 Cb 0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1jw3 h MET 33 CO -0.02 0.63 -0.08 0.74 -0.40 0.00 0.00 176.91 177.78 1jw3 h PHE 34 N 0.04 -0.22 -0.67 1.39 0.04 -0.41 0.59 116.94 117.71 1jw3 h PHE 34 Ca -0.01 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 60.94 1jw3 h PHE 34 Cb 1.06 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 1jw3 h PHE 34 CO 0.00 0.03 0.47 0.93 -0.60 0.00 0.00 178.31 179.15 1jw3 h GLU 35 N -0.44 0.08 0.13 1.51 4.39 -0.95 0.48 114.58 119.77 1jw3 h GLU 35 Ca -0.02 -0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.38 1jw3 h GLU 35 Cb 0.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1jw3 h GLU 35 CO 0.04 0.05 -1.36 0.28 -1.16 0.00 0.00 179.01 176.86 1jw3 h VAL 36 N 0.08 1.36 -0.81 3.13 2.07 -1.46 -3.30 116.25 117.32 1jw3 h VAL 36 Ca 0.32 -2.95 0.14 0.00 0.82 0.00 0.00 66.70 65.02 1jw3 h VAL 36 Cb 1.16 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 33.76 1jw3 h VAL 36 CO -0.03 0.86 0.53 -0.03 0.02 0.00 0.00 177.57 178.92 1jw3 h MET 37 N 0.08 0.56 0.00 1.57 4.05 0.14 -3.39 114.93 117.94 1jw3 h MET 37 Ca -0.18 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1jw3 h MET 37 Cb 2.00 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 1jw3 h MET 37 CO 0.19 0.37 0.00 -2.37 0.23 0.00 0.00 176.91 175.33 1jw3 n THR 38 N -4.51 0.00 0.00 -0.77 5.66 -1.05 -4.97 114.28 108.63 1jw3 n THR 38 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1jw3 n THR 38 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1jw3 n THR 38 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jw3 n ASP 39 N 0.00 0.00 0.25 1.09 8.00 -1.26 -4.85 116.55 119.78 1jw3 n ASP 39 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1jw3 n ASP 39 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.63 1jw3 n ASP 39 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jw3 h THR 40 N 0.00 0.21 0.00 -3.53 1.35 -1.83 -3.39 112.91 105.72 1jw3 h THR 40 Ca 0.00 -0.82 -0.31 0.00 -0.55 0.00 0.00 66.41 64.73 1jw3 h THR 40 Cb 0.00 1.68 0.04 0.00 -1.73 0.00 0.00 68.15 68.14 1jw3 h THR 40 CO 0.00 0.09 1.72 -1.54 -0.25 0.00 0.00 175.52 175.54 1jw3 n SER 41 N -3.20 1.97 0.00 5.36 3.41 -1.26 -1.49 113.62 118.42 1jw3 n SER 41 Ca 0.01 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1jw3 n SER 41 Cb 0.39 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1jw3 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jw3 n LEU 42 N 5.86 0.00 -4.53 1.04 -0.00 -1.26 -5.14 117.00 112.97 1jw3 n LEU 42 Ca 0.29 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.96 1jw3 n LEU 42 Cb 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.47 1jw3 n LEU 42 CO 0.76 0.00 -0.37 -0.69 -0.00 0.00 0.00 177.39 177.09 1jw3 s VAL 43 N 0.00 3.74 0.00 1.47 1.01 -0.55 -5.07 120.40 121.00 1jw3 s VAL 43 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1jw3 s VAL 43 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1jw3 s VAL 43 CO 0.00 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 1jw3 n GLU 44 N 2.89 0.00 0.00 2.72 1.02 -1.26 -4.79 120.64 121.23 1jw3 n GLU 44 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1jw3 n GLU 44 Cb 0.53 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 1jw3 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jw3 n ALA 45 N -1.07 0.00 -0.08 0.62 0.00 -1.26 -4.68 120.51 114.04 1jw3 n ALA 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jw3 n ALA 45 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1jw3 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw3 n ALA 46 N 0.00 1.61 -2.72 0.00 0.00 -1.26 -4.74 120.51 113.39 1jw3 n ALA 46 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1jw3 n ALA 46 Cb 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 1jw3 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jw3 s GLU 47 N -2.38 0.60 0.01 0.00 0.41 -1.26 -4.83 118.70 111.24 1jw3 s GLU 47 Ca -0.12 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.59 1jw3 s GLU 47 Cb 0.05 -0.30 -0.01 0.00 -1.78 0.00 0.00 34.13 32.09 1jw3 s GLU 47 CO 0.60 0.04 -0.10 -2.00 -0.49 0.00 0.00 175.26 173.31 1jw3 s GLU 48 N -2.03 0.79 0.05 1.61 2.12 -1.26 0.17 118.70 120.14 1jw3 s GLU 48 Ca -0.05 -0.46 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 1jw3 s GLU 48 Cb -0.07 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 1jw3 s GLU 48 CO -0.01 0.20 -0.04 1.03 -0.54 0.00 0.00 175.26 175.90 1jw3 s ARG 49 N -0.53 0.55 -0.00 4.30 1.81 0.26 -4.96 118.95 120.38 1jw3 s ARG 49 Ca 0.02 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.06 1jw3 s ARG 49 Cb -0.05 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 1jw3 s ARG 49 CO 0.00 -0.07 -0.14 1.03 -0.68 0.00 0.00 175.30 175.44 1jw3 s ARG 50 N -3.01 2.36 0.04 3.54 0.52 -1.26 -0.46 118.95 120.68 1jw3 s ARG 50 Ca -0.00 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 1jw3 s ARG 50 Cb 0.01 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 1jw3 s ARG 50 CO -0.06 0.59 -0.17 0.08 0.02 0.00 0.00 175.30 175.76 1jw3 s VAL 51 N -0.87 1.38 0.04 3.52 1.01 0.45 -4.97 120.40 120.96 1jw3 s VAL 51 Ca 0.14 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1jw3 s VAL 51 Cb -0.11 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1jw3 s VAL 51 CO 0.04 0.10 -0.19 -0.70 0.00 0.00 0.00 175.10 174.35 1jw3 s GLU 52 N -1.17 1.30 0.04 2.72 2.12 -1.26 0.60 118.70 123.05 1jw3 s GLU 52 Ca 0.04 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1jw3 s GLU 52 Cb -0.08 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.91 1jw3 s GLU 52 CO 0.02 0.35 -0.05 0.42 -0.54 0.00 0.00 175.26 175.46 1jw3 s ILE 53 N -0.77 0.29 -0.21 -3.70 1.01 0.55 -4.93 121.20 113.44 1jw3 s ILE 53 Ca 0.06 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1jw3 s ILE 53 Cb -0.08 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1jw3 s ILE 53 CO 0.01 -0.55 -0.13 -0.89 0.00 0.00 0.00 174.94 173.38 1jw3 s THR 54 N -1.87 1.91 0.32 2.92 2.01 -1.26 0.14 115.64 119.82 1jw3 s THR 54 Ca -0.10 -1.17 0.10 0.00 0.31 0.00 0.00 61.69 60.83 1jw3 s THR 54 Cb -0.07 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1jw3 s THR 54 CO -0.02 0.22 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.46 1jw3 s SER 55 N 1.28 3.61 0.00 3.53 0.15 0.48 -4.80 113.70 117.96 1jw3 s SER 55 Ca -0.02 -1.16 0.06 0.00 0.70 0.00 0.00 55.95 55.54 1jw3 s SER 55 Cb -0.16 -0.32 0.10 0.00 -1.71 0.00 0.00 66.02 63.93 1jw3 s SER 55 CO -0.09 -0.16 1.03 -0.62 1.20 0.00 0.00 173.24 174.61 1jw3 n GLU 56 N -0.73 0.00 -0.35 5.44 1.02 -1.26 -0.81 120.64 123.94 1jw3 n GLU 56 Ca -0.05 -1.22 -0.01 0.00 -0.02 0.00 0.00 57.16 55.86 1jw3 n GLU 56 Cb 0.63 0.36 -0.01 0.00 -0.02 0.00 0.00 31.44 32.40 1jw3 n GLU 56 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jw3 n ASP 57 N 0.12 -0.11 0.00 1.62 -0.08 -1.26 -4.96 116.55 111.87 1jw3 n ASP 57 Ca -0.19 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.72 1jw3 n ASP 57 Cb 0.81 0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.30 1jw3 n ASP 57 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1jw3 n ARG 58 N 0.00 0.00 -0.22 -0.67 0.63 -1.26 -4.00 116.66 111.14 1jw3 n ARG 58 Ca -0.03 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.04 1jw3 n ARG 58 Cb 0.23 0.00 0.44 0.00 0.45 0.00 0.00 32.46 33.59 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1jw3 h VAL 59 N 0.00 0.81 -0.63 5.15 3.04 -1.88 -1.28 116.25 121.46 1jw3 h VAL 59 Ca 0.00 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 1jw3 h VAL 59 Cb 0.00 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 29.46 1jw3 h VAL 59 CO 0.00 0.10 0.33 -1.28 -1.01 0.00 0.00 177.57 175.71 1jw3 h SER 60 N 0.55 0.81 -0.04 3.17 0.87 -1.84 -1.52 113.55 115.55 1jw3 h SER 60 Ca 0.41 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.90 1jw3 h SER 60 Cb 0.80 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1jw3 h SER 60 CO -0.16 0.69 -0.22 0.25 -0.53 0.00 0.00 176.83 176.85 1jw3 h LEU 61 N 0.87 -0.67 -1.16 2.23 7.12 -1.54 0.19 115.31 122.35 1jw3 h LEU 61 Ca 0.22 0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.36 1jw3 h LEU 61 Cb 0.08 0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.44 1jw3 h LEU 61 CO -0.03 -0.29 0.57 0.25 -0.13 0.00 0.00 178.44 178.82 1jw3 h LEU 62 N -0.33 0.94 -1.21 2.25 7.12 -1.46 1.31 115.31 123.93 1jw3 h LEU 62 Ca 0.07 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 1jw3 h LEU 62 Cb 0.43 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1jw3 h LEU 62 CO -0.23 0.65 0.06 0.22 -0.13 0.00 0.00 178.44 179.01 1jw3 h TYR 63 N 1.09 0.62 0.00 1.25 3.20 -0.15 -2.64 116.97 120.34 1jw3 h TYR 63 Ca 0.35 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1jw3 h TYR 63 Cb 0.02 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1jw3 h TYR 63 CO -0.00 0.56 -1.00 -0.25 -1.64 0.00 0.00 178.16 175.83 1jw3 n ASP 64 N -4.30 0.74 0.02 -2.11 8.00 0.54 -3.89 116.55 115.56 1jw3 n ASP 64 Ca 0.02 -0.61 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 1jw3 n ASP 64 Cb 0.22 0.90 -0.09 0.00 -0.02 0.00 0.00 41.12 42.13 1jw3 n ASP 64 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1jw3 h TRP 65 N 0.00 -0.13 -0.13 1.24 -0.00 0.20 -2.60 115.95 114.52 1jw3 h TRP 65 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1jw3 h TRP 65 Cb 0.59 0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.79 1jw3 h TRP 65 CO 0.00 0.38 0.00 1.25 -0.00 0.00 0.00 178.44 180.07 1jw3 h LEU 66 N -0.78 0.23 -1.67 0.65 6.46 -1.73 -2.42 115.31 116.05 1jw3 h LEU 66 Ca -0.01 -0.31 0.21 0.00 -0.12 0.00 0.00 57.88 57.65 1jw3 h LEU 66 Cb 0.57 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 1jw3 h LEU 66 CO 0.02 0.48 0.59 -0.78 -0.62 0.00 0.00 178.44 178.14 1jw3 h ASP 67 N -0.03 0.27 -0.72 1.25 1.82 -1.68 0.76 116.42 118.09 1jw3 h ASP 67 Ca 0.04 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1jw3 h ASP 67 Cb 0.36 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1jw3 h ASP 67 CO 0.01 0.11 0.23 -0.08 -1.61 0.00 0.00 179.24 177.89 1jw3 h GLU 68 N 0.27 1.12 -0.19 0.28 4.57 -1.03 -1.78 114.58 117.82 1jw3 h GLU 68 Ca 0.44 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1jw3 h GLU 68 Cb 1.30 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1jw3 h GLU 68 CO -0.12 0.95 0.05 -0.07 -1.18 0.00 0.00 179.01 178.64 1jw3 h LEU 69 N 1.06 0.23 0.23 1.64 4.07 0.83 0.51 115.31 123.88 1jw3 h LEU 69 Ca 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 1jw3 h LEU 69 Cb 0.30 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1jw3 h LEU 69 CO -0.01 0.24 -0.13 0.25 -1.08 0.00 0.00 178.44 177.71 1jw3 h LEU 70 N 0.26 -0.32 -0.12 1.67 5.85 -0.49 0.27 115.31 122.43 1jw3 h LEU 70 Ca 0.07 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1jw3 h LEU 70 Cb 0.10 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jw3 h LEU 70 CO -0.00 -0.21 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.39 1jw3 h PHE 71 N -0.34 0.46 -0.55 1.25 -1.00 -1.35 -3.18 116.94 112.24 1jw3 h PHE 71 Ca -0.02 -0.17 0.03 0.00 2.81 0.00 0.00 57.97 60.62 1jw3 h PHE 71 Cb 0.28 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1jw3 h PHE 71 CO -0.08 0.85 0.36 0.82 -1.61 0.00 0.00 178.31 178.65 1jw3 h ILE 72 N -0.06 1.07 0.12 -0.55 2.04 -0.87 0.17 117.51 119.44 1jw3 h ILE 72 Ca 0.00 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1jw3 h ILE 72 Cb 0.82 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1jw3 h ILE 72 CO 0.05 0.12 -0.19 0.45 0.00 0.00 0.00 178.15 178.58 1jw3 h HIS 73 N 0.64 -0.51 -0.04 1.37 3.86 -0.44 0.20 115.15 120.24 1jw3 h HIS 73 Ca 0.22 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.27 1jw3 h HIS 73 Cb 0.08 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1jw3 h HIS 73 CO -0.00 -0.28 -0.73 -0.44 0.86 0.00 0.00 177.93 177.34 1jw3 h ASP 74 N -0.38 0.28 0.37 2.45 5.19 -1.52 1.14 116.42 123.95 1jw3 h ASP 74 Ca 0.02 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1jw3 h ASP 74 Cb 0.39 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1jw3 h ASP 74 CO -0.10 0.91 0.00 0.74 -3.12 0.00 0.00 179.24 177.67 1jw3 h THR 75 N 0.15 0.00 -0.15 0.35 2.02 -0.26 -3.32 112.91 111.70 1jw3 h THR 75 Ca -0.02 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.83 1jw3 h THR 75 Cb 1.29 1.04 -0.14 0.00 -1.74 0.00 0.00 68.15 68.59 1jw3 h THR 75 CO 0.11 0.00 -0.36 -0.62 0.37 0.00 0.00 175.52 175.02 1jw3 n GLU 76 N -2.82 0.55 -1.52 6.66 1.02 0.68 -5.03 120.64 120.18 1jw3 n GLU 76 Ca -0.01 -1.47 -0.23 0.00 -0.02 0.00 0.00 57.16 55.43 1jw3 n GLU 76 Cb 0.15 -1.07 -0.18 0.00 -0.02 0.00 0.00 31.44 30.32 1jw3 n GLU 76 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1jw3 n PHE 77 N 1.86 0.39 -4.70 -0.32 3.72 0.39 -4.66 117.46 114.14 1jw3 n PHE 77 Ca 0.09 0.05 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 1jw3 n PHE 77 Cb 0.64 -1.30 -0.13 0.00 -0.94 0.00 0.00 39.48 37.75 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jw3 s ILE 78 N 4.99 3.38 -0.03 4.37 -4.36 -1.26 -3.18 121.20 125.10 1jw3 s ILE 78 Ca 1.22 -0.57 -0.15 0.00 -0.26 0.00 0.00 60.65 60.89 1jw3 s ILE 78 Cb -0.71 -2.40 -0.32 0.00 1.25 0.00 0.00 42.46 40.28 1jw3 s ILE 78 CO 0.44 0.55 0.79 -0.07 0.24 0.00 0.00 174.94 176.89 1jw3 h LEU 79 N 6.02 0.63 -8.79 0.37 3.38 -1.86 -3.47 115.31 111.59 1jw3 h LEU 79 Ca -0.37 -0.92 -0.69 0.00 0.09 0.00 0.00 57.88 55.98 1jw3 h LEU 79 Cb 1.18 -0.21 -0.25 0.00 0.09 0.00 0.00 40.66 41.48 1jw3 h LEU 79 CO 0.55 1.68 -0.88 0.12 0.09 0.00 0.00 178.44 180.00 1jw3 s PHE 80 N -2.54 2.33 -0.20 1.13 2.19 -1.24 -3.01 117.98 116.63 1jw3 s PHE 80 Ca -0.14 -0.40 -0.12 0.00 0.33 0.00 0.00 56.93 56.60 1jw3 s PHE 80 Cb 0.04 -1.36 0.06 0.00 -1.31 0.00 0.00 43.02 40.46 1jw3 s PHE 80 CO 0.87 0.18 0.50 0.45 1.83 0.00 0.00 175.22 179.05 1jw3 s SER 81 N -1.46 -0.65 0.39 6.13 0.15 -1.20 -3.76 113.70 113.30 1jw3 s SER 81 Ca 0.12 1.09 -0.19 0.00 0.70 0.00 0.00 55.95 57.68 1jw3 s SER 81 Cb -0.10 0.98 -0.10 0.00 -1.71 0.00 0.00 66.02 65.09 1jw3 s SER 81 CO 0.03 -0.21 0.87 -0.75 1.20 0.00 0.00 173.24 174.38 1jw3 s LYS 82 N 1.39 4.14 -0.25 5.44 2.20 -1.25 -4.87 119.74 126.54 1jw3 s LYS 82 Ca -0.09 0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 56.40 1jw3 s LYS 82 Cb -0.07 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1jw3 s LYS 82 CO -0.14 0.04 0.07 -0.59 -0.36 0.00 0.00 175.35 174.37 1jw3 s PHE 83 N -2.11 3.09 -0.13 4.03 -0.12 -1.26 -4.30 117.98 117.17 1jw3 s PHE 83 Ca 0.59 -0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1jw3 s PHE 83 Cb -0.09 -2.24 0.04 0.00 -0.63 0.00 0.00 43.02 40.10 1jw3 s PHE 83 CO 0.15 -0.37 0.02 0.21 -0.05 0.00 0.00 175.22 175.17 1jw3 s LYS 84 N 1.61 0.65 0.10 1.99 2.20 -1.24 -5.00 119.74 120.05 1jw3 s LYS 84 Ca 0.06 -0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.60 1jw3 s LYS 84 Cb -0.15 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.59 1jw3 s LYS 84 CO 0.03 -0.47 -0.22 0.54 -0.36 0.00 0.00 175.35 174.88 1jw3 s VAL 85 N 1.91 1.77 -0.12 4.02 0.11 -1.25 -0.29 120.40 126.54 1jw3 s VAL 85 Ca 0.02 -1.52 -0.01 0.00 -2.93 0.00 0.00 61.98 57.55 1jw3 s VAL 85 Cb -0.15 -1.59 0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1jw3 s VAL 85 CO -0.07 -0.00 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.89 1jw3 s LYS 86 N -1.81 1.41 0.01 1.54 2.47 1.13 -4.88 119.74 119.60 1jw3 s LYS 86 Ca 0.07 -0.28 0.05 0.00 -1.56 0.00 0.00 55.97 54.25 1jw3 s LYS 86 Cb -0.10 -1.64 -0.02 0.00 -1.46 0.00 0.00 37.83 34.62 1jw3 s LYS 86 CO 0.04 -0.31 -0.16 -1.50 0.16 0.00 0.00 175.35 173.58 1jw3 s ILE 87 N 1.72 1.23 -0.15 5.43 2.07 -1.26 0.34 121.20 130.59 1jw3 s ILE 87 Ca 0.04 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.44 1jw3 s ILE 87 Cb -0.13 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 41.42 1jw3 s ILE 87 CO -0.08 0.20 -0.15 -0.62 -1.91 0.00 0.00 174.94 172.39 1jw3 s ASP 88 N -0.74 2.68 -0.34 4.50 2.15 -0.80 -4.98 116.67 119.14 1jw3 s ASP 88 Ca 0.05 -0.49 -0.09 0.00 0.43 0.00 0.00 52.55 52.44 1jw3 s ASP 88 Cb -0.07 -1.18 0.02 0.00 -0.30 0.00 0.00 42.92 41.38 1jw3 s ASP 88 CO 0.00 -0.04 0.16 -1.83 -0.17 0.00 0.00 175.17 173.29 1jw3 s GLU 89 N 1.42 2.96 0.00 4.34 1.03 -1.26 -3.40 118.70 123.79 1jw3 s GLU 89 Ca 0.04 -0.98 0.00 0.00 0.03 0.00 0.00 54.97 54.06 1jw3 s GLU 89 Cb -0.13 -3.61 0.00 0.00 -0.80 0.00 0.00 34.13 29.59 1jw3 s GLU 89 CO -0.10 -0.59 0.00 0.36 -1.33 0.00 0.00 175.26 173.60 1jw3 n LYS 90 N 4.95 0.88 0.00 -4.83 -0.00 -1.26 -4.97 118.16 112.93 1jw3 n LYS 90 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1jw3 n LYS 90 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.50 1jw3 n LYS 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jw3 n ASP 91 N -1.64 0.00 0.00 -5.58 -0.08 -1.26 -4.22 116.55 103.77 1jw3 n ASP 91 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jw3 n ASP 91 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jw3 n ASP 91 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1jw3 n ASP 92 N -2.60 0.00 -4.45 1.67 5.68 -1.26 -5.06 116.55 110.53 1jw3 n ASP 92 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 1jw3 n ASP 92 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jw3 n GLY 93 N 0.00 2.13 3.84 6.12 0.00 -1.26 -4.17 105.19 111.85 1jw3 n GLY 93 Ca 0.00 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1jw3 n GLY 93 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jw3 s LEU 94 N 6.47 4.47 0.03 0.99 2.34 0.01 -4.70 118.68 128.28 1jw3 s LEU 94 Ca 0.59 0.97 0.06 0.00 0.06 0.00 0.00 54.13 55.82 1jw3 s LEU 94 Cb 0.04 -2.64 -0.02 0.00 -0.56 0.00 0.00 46.19 43.01 1jw3 s LEU 94 CO 0.09 0.31 -0.19 -1.38 -1.06 0.00 0.00 176.35 174.12 1jw3 s HIS 95 N -1.11 1.66 -0.04 3.48 -3.43 -1.22 0.18 115.29 114.81 1jw3 s HIS 95 Ca 0.25 -0.35 0.02 0.00 -0.80 0.00 0.00 55.06 54.17 1jw3 s HIS 95 Cb -0.17 -1.01 -0.03 0.00 -1.43 0.00 0.00 32.58 29.94 1jw3 s HIS 95 CO 0.14 0.05 -0.07 -1.17 -2.00 0.00 0.00 174.74 171.69 1jw3 s LEU 96 N -0.95 3.15 -0.15 5.38 0.20 0.37 -1.90 118.68 124.78 1jw3 s LEU 96 Ca 0.06 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.82 1jw3 s LEU 96 Cb -0.08 -1.73 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 1jw3 s LEU 96 CO 0.01 0.34 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.38 1jw3 s THR 97 N -0.87 1.53 0.09 3.68 2.01 1.03 0.21 115.64 123.32 1jw3 s THR 97 Ca 0.14 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1jw3 s THR 97 Cb -0.11 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1jw3 s THR 97 CO 0.03 0.42 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.35 1jw3 s GLY 98 N 1.50 1.21 0.02 4.40 0.00 0.20 0.36 107.32 115.01 1jw3 s GLY 98 Ca 0.04 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.64 1jw3 s GLY 98 CO -0.10 -1.19 -0.24 -1.59 0.00 0.00 0.00 173.10 169.98 1jw3 s THR 99 N -1.08 2.30 -0.02 0.90 2.01 0.60 0.17 115.64 120.52 1jw3 s THR 99 Ca 0.07 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1jw3 s THR 99 Cb -0.10 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1jw3 s THR 99 CO 0.04 0.45 -0.02 0.00 -0.69 0.00 0.00 174.62 174.40 1jw3 s ALA 100 N -0.76 0.37 0.10 7.40 0.00 0.40 -3.65 121.76 125.63 1jw3 s ALA 100 Ca 0.12 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1jw3 s ALA 100 Cb -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1jw3 s ALA 100 CO 0.01 -0.02 -0.13 1.41 0.00 0.00 0.00 175.76 177.04 1jw3 s MET 101 N 0.70 0.91 0.00 0.00 1.75 -1.25 0.93 119.30 122.34 1jw3 s MET 101 Ca -0.07 -1.14 0.00 0.00 -1.25 0.00 0.00 55.69 53.23 1jw3 s MET 101 Cb -0.11 -0.76 0.00 0.00 2.84 0.00 0.00 34.83 36.81 1jw3 s MET 101 CO -0.01 0.14 0.00 0.41 -0.65 0.00 0.00 175.02 174.91 1jw3 n GLY 102 N 0.74 0.71 3.47 2.11 0.00 0.45 -3.27 105.19 109.39 1jw3 n GLY 102 Ca -0.17 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1jw3 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jw3 s GLU 103 N -0.96 3.42 0.00 1.61 2.12 -1.25 -3.41 118.70 120.24 1jw3 s GLU 103 Ca 0.00 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1jw3 s GLU 103 Cb 0.00 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.78 1jw3 s GLU 103 CO 0.00 -0.40 0.00 0.39 -0.54 0.00 0.00 175.26 174.71 1jw3 n GLU 104 N 5.01 0.00 -2.35 4.30 1.02 -1.25 -4.38 120.64 122.99 1jw3 n GLU 104 Ca -0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.58 1jw3 n GLU 104 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 1jw3 n GLU 104 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jw3 s ILE 105 N 0.00 3.90 -0.08 -3.67 -1.16 -1.19 -4.79 121.20 114.20 1jw3 s ILE 105 Ca 0.00 1.32 -0.02 0.00 -0.51 0.00 0.00 60.65 61.44 1jw3 s ILE 105 Cb 0.00 -3.85 -0.03 0.00 0.61 0.00 0.00 42.46 39.19 1jw3 s ILE 105 CO 0.00 0.06 0.02 -0.54 -2.81 0.00 0.00 174.94 171.66 1jw3 s LYS 106 N 1.62 3.02 -0.52 3.50 1.02 -1.26 -5.02 119.74 122.09 1jw3 s LYS 106 Ca 0.60 -0.40 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 1jw3 s LYS 106 Cb -0.30 -2.83 -0.12 0.00 -0.52 0.00 0.00 37.83 34.06 1jw3 s LYS 106 CO 0.27 0.70 2.37 -1.91 -0.92 0.00 0.00 175.35 175.86 1jw3 n GLU 107 N 2.04 0.86 -2.07 1.68 2.13 -1.26 0.09 120.64 124.11 1jw3 n GLU 107 Ca -0.18 0.15 -0.03 0.00 0.66 0.00 0.00 57.16 57.76 1jw3 n GLU 107 Cb 0.54 -2.57 -0.00 0.00 0.27 0.00 0.00 31.44 29.68 1jw3 n GLU 107 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jw3 n GLY 108 N 6.36 0.26 3.64 8.31 0.00 -1.26 -5.00 105.19 117.50 1jw3 n GLY 108 Ca 0.45 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1jw3 n GLY 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jw3 s HIS 109 N -2.17 3.05 0.09 1.61 2.46 0.11 -4.62 115.29 115.82 1jw3 s HIS 109 Ca 0.00 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1jw3 s HIS 109 Cb -0.00 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1jw3 s HIS 109 CO 0.00 -0.98 0.00 0.39 -2.47 0.00 0.00 174.74 171.69 1jw3 n GLU 110 N 6.99 -5.20 -4.33 2.88 -0.58 -1.26 -4.91 120.64 114.23 1jw3 n GLU 110 Ca 0.12 3.75 -0.34 0.00 -0.42 0.00 0.00 57.16 60.28 1jw3 n GLU 110 Cb 0.47 -4.41 -0.12 0.00 -0.57 0.00 0.00 31.44 26.81 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jw3 s ARG 111 N -0.69 3.68 0.25 3.49 1.81 -1.26 -4.89 118.95 121.34 1jw3 s ARG 111 Ca 0.00 -0.51 -0.08 0.00 -1.72 0.00 0.00 55.73 53.42 1jw3 s ARG 111 Cb 0.00 -2.96 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 1jw3 s ARG 111 CO 0.00 0.21 0.47 -2.13 -0.68 0.00 0.00 175.30 173.17 1jw3 n ARG 112 N 3.63 0.67 -3.18 3.54 0.63 -1.26 -5.10 116.66 115.59 1jw3 n ARG 112 Ca -0.17 -1.47 -0.39 0.00 -0.92 0.00 0.00 57.85 54.89 1jw3 n ARG 112 Cb 0.52 1.75 -0.06 0.00 0.45 0.00 0.00 32.46 35.12 1jw3 n ARG 112 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1jw3 s ASP 113 N -2.32 6.75 0.04 6.15 1.01 -1.26 -5.04 116.67 122.00 1jw3 s ASP 113 Ca 0.11 0.91 0.08 0.00 0.71 0.00 0.00 52.55 54.37 1jw3 s ASP 113 Cb -0.03 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1jw3 s ASP 113 CO 0.09 -0.13 -0.24 -0.70 0.21 0.00 0.00 175.17 174.39 1jw3 s GLU 114 N 1.14 1.69 -0.37 8.23 2.12 -1.26 -4.83 118.70 125.42 1jw3 s GLU 114 Ca 0.30 -1.03 -0.28 0.00 0.36 0.00 0.00 54.97 54.31 1jw3 s GLU 114 Cb -0.16 -1.82 -0.01 0.00 0.26 0.00 0.00 34.13 32.40 1jw3 s GLU 114 CO 0.12 0.47 1.69 0.14 -0.54 0.00 0.00 175.26 177.15 1jw3 s VAL 115 N -0.77 3.59 0.66 3.70 -7.23 -1.26 -4.84 120.40 114.23 1jw3 s VAL 115 Ca 0.10 0.59 0.34 0.00 -1.81 0.00 0.00 61.98 61.20 1jw3 s VAL 115 Cb -0.10 -3.82 0.35 0.00 0.56 0.00 0.00 36.38 33.38 1jw3 s VAL 115 CO 0.02 -0.54 2.07 0.11 -0.31 0.00 0.00 175.10 176.45 1jw3 h LYS 116 N 12.35 0.00 -3.34 4.82 1.57 -1.11 -3.39 116.57 127.47 1jw3 h LYS 116 Ca -0.32 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.15 1jw3 h LYS 116 Cb 1.15 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.11 1jw3 h LYS 116 CO 1.06 0.00 -0.70 0.00 -0.57 0.00 0.00 179.45 179.24 1jw3 s ALA 117 N -4.20 0.03 -0.44 3.86 0.00 -0.97 -5.05 121.76 114.98 1jw3 s ALA 117 Ca -0.04 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1jw3 s ALA 117 Cb 0.11 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1jw3 s ALA 117 CO 0.36 -0.31 0.39 0.54 0.00 0.00 0.00 175.76 176.74 1jw3 s VAL 118 N 1.63 5.18 -0.12 0.00 0.11 -1.26 -0.13 120.40 125.80 1jw3 s VAL 118 Ca -0.03 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1jw3 s VAL 118 Cb -0.12 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.66 1jw3 s VAL 118 CO -0.04 -0.47 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.20 1jw3 s THR 119 N 1.85 2.71 -0.70 5.04 2.01 -1.26 -4.92 115.64 120.37 1jw3 s THR 119 Ca 0.07 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.06 1jw3 s THR 119 Cb -0.20 -2.11 -0.18 0.00 0.01 0.00 0.00 72.50 70.02 1jw3 s THR 119 CO 0.10 0.54 1.90 2.22 -0.69 0.00 0.00 174.62 178.68 1jw3 n PHE 120 N 3.54 1.67 -0.22 4.92 -1.74 -1.26 -4.13 117.46 120.23 1jw3 n PHE 120 Ca -0.18 -1.68 -0.05 0.00 -0.56 0.00 0.00 57.45 54.97 1jw3 n PHE 120 Cb 0.53 -1.61 0.05 0.00 1.52 0.00 0.00 39.48 39.97 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1jw3 h HIS 121 N 8.04 0.77 0.00 2.97 2.76 -1.87 -3.42 115.15 124.41 1jw3 h HIS 121 Ca 0.41 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1jw3 h HIS 121 Cb 0.65 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1jw3 h HIS 121 CO 1.24 0.46 0.00 -1.33 -1.30 0.00 0.00 177.93 177.01 1jw3 n MET 122 N -4.67 0.00 -4.13 5.26 2.81 -1.26 -4.90 117.12 110.23 1jw3 n MET 122 Ca 0.06 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.66 1jw3 n MET 122 Cb 0.05 -0.19 -0.05 0.00 -0.71 0.00 0.00 33.22 32.32 1jw3 n MET 122 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1jw3 n MET 123 N -3.08 -2.32 -4.39 0.03 2.00 0.41 -4.91 117.12 104.85 1jw3 n MET 123 Ca 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 57.70 57.76 1jw3 n MET 123 Cb 0.00 -4.22 -0.13 0.00 0.00 0.00 0.00 33.22 28.87 1jw3 n MET 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1jw3 s GLU 124 N -6.91 1.03 -0.30 0.03 -1.05 -1.22 -3.34 118.70 106.95 1jw3 s GLU 124 Ca 0.08 -0.84 -0.05 0.00 -0.15 0.00 0.00 54.97 54.01 1jw3 s GLU 124 Cb -0.04 -1.08 0.03 0.00 -0.44 0.00 0.00 34.13 32.59 1jw3 s GLU 124 CO 0.94 0.27 0.04 0.96 0.95 0.00 0.00 175.26 178.42 1jw3 s ILE 125 N -0.90 3.52 0.12 1.83 -4.36 -1.26 -2.50 121.20 117.65 1jw3 s ILE 125 Ca 0.03 -0.99 0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1jw3 s ILE 125 Cb -0.08 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1jw3 s ILE 125 CO 0.02 0.01 -0.03 -1.48 0.24 0.00 0.00 174.94 173.70 1jw3 s LEU 126 N 1.40 3.28 -0.21 0.37 -0.00 -0.04 -4.84 118.68 118.64 1jw3 s LEU 126 Ca -0.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 54.13 53.77 1jw3 s LEU 126 Cb -0.18 -2.01 -0.01 0.00 -0.00 0.00 0.00 46.19 43.99 1jw3 s LEU 126 CO 0.00 0.15 -0.03 1.51 -0.00 0.00 0.00 176.35 177.99 1jw3 s ASP 127 N -2.47 4.47 -0.03 1.48 1.47 -1.26 0.11 116.67 120.45 1jw3 s ASP 127 Ca 0.25 -0.33 0.05 0.00 1.18 0.00 0.00 52.55 53.70 1jw3 s ASP 127 Cb -0.11 -1.77 -0.01 0.00 -0.34 0.00 0.00 42.92 40.69 1jw3 s ASP 127 CO 0.17 0.01 -0.19 -0.70 0.68 0.00 0.00 175.17 175.14 1jw3 s GLU 128 N 1.31 1.67 -2.10 2.11 2.12 0.53 -4.69 118.70 119.65 1jw3 s GLU 128 Ca 0.04 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1jw3 s GLU 128 Cb -0.14 -1.55 0.00 0.00 0.26 0.00 0.00 34.13 32.70 1jw3 s GLU 128 CO -0.01 0.36 0.00 -0.25 -0.54 0.00 0.00 175.26 174.82 1jw3 n ASP 129 N 2.79 -5.44 0.00 -1.70 8.00 -1.26 0.70 116.55 119.65 1jw3 n ASP 129 Ca -0.16 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1jw3 n ASP 129 Cb 0.53 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jw3 n GLY 130 N -0.33 0.85 3.75 0.44 0.00 -1.26 -5.03 105.19 103.62 1jw3 n GLY 130 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1jw3 n GLY 130 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jw3 s LEU 131 N 0.00 3.76 -0.05 0.99 0.20 0.22 -4.93 118.68 118.87 1jw3 s LEU 131 Ca 0.00 0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 1jw3 s LEU 131 Cb 0.00 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1jw3 s LEU 131 CO 0.00 0.26 0.16 -0.63 -0.29 0.00 0.00 176.35 175.85 1jw3 s ILE 132 N -1.18 5.42 -0.02 6.68 1.01 -1.26 0.20 121.20 132.05 1jw3 s ILE 132 Ca 0.22 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1jw3 s ILE 132 Cb -0.12 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1jw3 s ILE 132 CO 0.13 0.44 -0.08 -0.54 0.00 0.00 0.00 174.94 174.90 1jw3 s LYS 133 N -1.57 0.80 -0.07 2.79 1.02 0.30 0.32 119.74 123.32 1jw3 s LYS 133 Ca 0.22 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1jw3 s LYS 133 Cb -0.12 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 1jw3 s LYS 133 CO 0.13 0.12 -0.08 0.00 -0.92 0.00 0.00 175.35 174.60 1jw3 s ALA 134 N 0.10 2.94 -0.07 5.17 0.00 0.17 -0.86 121.76 129.21 1jw3 s ALA 134 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1jw3 s ALA 134 Cb -0.07 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1jw3 s ALA 134 CO 0.00 0.53 -0.01 -0.98 0.00 0.00 0.00 175.76 175.31 1jw3 s ARG 135 N -0.68 0.70 -0.16 0.00 1.70 -1.04 -1.02 118.95 118.45 1jw3 s ARG 135 Ca 0.10 0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.43 1jw3 s ARG 135 Cb -0.11 -1.03 0.04 0.00 -0.57 0.00 0.00 34.95 33.28 1jw3 s ARG 135 CO 0.02 -0.30 -0.04 0.08 -1.08 0.00 0.00 175.30 173.98 1jw3 s VAL 136 N 1.93 1.00 -0.13 4.99 1.01 -1.07 0.15 120.40 128.29 1jw3 s VAL 136 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1jw3 s VAL 136 Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1jw3 s VAL 136 CO -0.05 0.09 0.22 -0.63 0.00 0.00 0.00 175.10 174.72 1jw3 s ILE 137 N 1.68 5.36 0.15 2.22 1.01 -1.26 -1.90 121.20 128.46 1jw3 s ILE 137 Ca 0.01 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.14 1jw3 s ILE 137 Cb -0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1jw3 s ILE 137 CO -0.07 0.52 -0.21 -0.76 0.00 0.00 0.00 174.94 174.41 1jw3 s LEU 138 N -0.39 2.38 0.26 2.97 1.43 0.30 -2.73 118.68 122.91 1jw3 s LEU 138 Ca 0.15 -0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 52.19 1jw3 s LEU 138 Cb -0.13 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 45.03 1jw3 s LEU 138 CO 0.04 0.05 0.90 -1.81 0.23 0.00 0.00 176.35 175.76 1jw3 s ASP 139 N -2.37 7.42 0.00 2.29 1.01 0.81 0.29 116.67 126.12 1jw3 s ASP 139 Ca 0.14 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.20 1jw3 s ASP 139 Cb -0.08 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1jw3 s ASP 139 CO 0.07 0.06 0.00 0.18 0.21 0.00 0.00 175.17 175.68