#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jw3 h LYS 2 N 0.00 -0.06 0.00 0.03 1.79 -2.05 -3.46 116.57 112.81 1jw3 h LYS 2 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jw3 h LYS 2 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1jw3 h LYS 2 CO 0.00 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 1jw3 n GLY 3 N -0.36 0.35 2.93 3.86 0.00 -1.26 -4.98 105.19 105.74 1jw3 n GLY 3 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.80 -0.07 -0.12 1.61 -0.71 -1.25 -0.93 117.98 114.71 1jw3 s PHE 4 Ca 0.00 0.18 -0.06 0.00 -1.04 0.00 0.00 56.93 56.02 1jw3 s PHE 4 Cb 0.00 0.02 0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1jw3 s PHE 4 CO 0.00 -0.04 0.27 -1.83 -1.34 0.00 0.00 175.22 172.28 1jw3 s GLU 5 N 0.09 0.22 0.06 1.99 -1.05 0.30 -4.92 118.70 115.39 1jw3 s GLU 5 Ca -0.00 0.61 0.05 0.00 -0.15 0.00 0.00 54.97 55.48 1jw3 s GLU 5 Cb -0.01 -0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.55 1jw3 s GLU 5 CO -0.00 -0.19 -0.08 -0.59 0.95 0.00 0.00 175.26 175.35 1jw3 s PHE 6 N 1.50 2.81 0.16 4.83 -0.71 -1.26 0.21 117.98 125.53 1jw3 s PHE 6 Ca -0.07 -0.11 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 1jw3 s PHE 6 Cb -0.10 -1.51 -0.04 0.00 -1.21 0.00 0.00 43.02 40.16 1jw3 s PHE 6 CO -0.09 0.40 0.04 -0.59 -1.34 0.00 0.00 175.22 173.64 1jw3 s PHE 7 N -1.13 2.95 -0.58 3.49 -0.12 -0.89 -4.99 117.98 116.72 1jw3 s PHE 7 Ca 0.20 -0.09 -0.22 0.00 -0.05 0.00 0.00 56.93 56.78 1jw3 s PHE 7 Cb -0.11 -1.44 0.06 0.00 -0.63 0.00 0.00 43.02 40.91 1jw3 s PHE 7 CO 0.12 0.51 0.84 0.16 -0.05 0.00 0.00 175.22 176.80 1jw3 s ASP 8 N -2.92 6.23 0.10 1.98 -4.77 -1.26 -4.18 116.67 111.85 1jw3 s ASP 8 Ca 0.28 -0.86 0.04 0.00 -3.30 0.00 0.00 52.55 48.72 1jw3 s ASP 8 Cb -0.10 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.32 1jw3 s ASP 8 CO 0.20 -1.21 0.07 -0.69 0.70 0.00 0.00 175.17 174.24 1jw3 s VAL 9 N 3.51 4.38 -0.41 2.11 1.01 -1.22 -5.09 120.40 124.68 1jw3 s VAL 9 Ca 0.21 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 1jw3 s VAL 9 Cb -0.17 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1jw3 s VAL 9 CO 0.13 0.07 0.50 -0.89 0.00 0.00 0.00 175.10 174.91 1jw3 s THR 10 N -1.45 5.01 0.00 3.92 2.01 -1.26 -4.12 115.64 119.75 1jw3 s THR 10 Ca 0.29 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1jw3 s THR 10 Cb -0.12 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1jw3 s THR 10 CO 0.21 -0.44 0.00 0.00 -0.69 0.00 0.00 174.62 173.71 1jw3 n ALA 11 N 5.80 0.00 -2.53 7.40 0.00 -1.26 -5.01 120.51 124.92 1jw3 n ALA 11 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1jw3 n ALA 11 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 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 3.18 -0.14 0.00 -4.77 -1.25 0.27 116.67 113.96 1jw3 s ASP 12 Ca 0.00 -1.33 -0.05 0.00 -3.30 0.00 0.00 52.55 47.86 1jw3 s ASP 12 Cb 0.00 -0.25 0.07 0.00 -1.09 0.00 0.00 42.92 41.64 1jw3 s ASP 12 CO 0.00 -0.47 0.29 0.00 0.70 0.00 0.00 175.17 175.68 1jw3 s ALA 13 N -2.95 -0.65 -0.07 2.11 0.00 0.26 -3.46 121.76 117.00 1jw3 s ALA 13 Ca 0.35 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.37 1jw3 s ALA 13 Cb 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1jw3 s ALA 13 CO 0.16 -0.62 -0.18 0.20 0.00 0.00 0.00 175.76 175.32 1jw3 s GLY 14 N 2.34 1.44 0.16 0.00 0.00 -1.24 0.13 107.32 110.15 1jw3 s GLY 14 Ca -0.00 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.78 1jw3 s GLY 14 CO -0.09 -0.59 0.12 -1.36 0.00 0.00 0.00 173.10 171.17 1jw3 s PHE 15 N -0.27 3.11 -0.14 1.90 0.40 0.15 -2.09 117.98 121.05 1jw3 s PHE 15 Ca 0.01 -0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1jw3 s PHE 15 Cb -0.13 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1jw3 s PHE 15 CO 0.03 0.52 -0.08 -1.58 0.70 0.00 0.00 175.22 174.81 1jw3 s TRP 16 N -1.75 2.94 0.13 0.36 0.52 0.58 -1.35 118.94 120.37 1jw3 s TRP 16 Ca 0.30 -0.39 0.11 0.00 0.02 0.00 0.00 56.10 56.14 1jw3 s TRP 16 Cb -0.10 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1jw3 s TRP 16 CO 0.23 -0.06 -0.25 0.00 0.02 0.00 0.00 176.95 176.89 1jw3 s ALA 17 N 0.24 2.46 0.26 0.98 0.00 0.65 -0.54 121.76 125.81 1jw3 s ALA 17 Ca -0.05 -1.46 0.09 0.00 0.00 0.00 0.00 51.96 50.54 1jw3 s ALA 17 Cb -0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1jw3 s ALA 17 CO 0.04 0.54 -0.00 0.71 0.00 0.00 0.00 175.76 177.05 1jw3 s TYR 18 N -1.14 2.72 0.00 0.00 1.51 -0.11 0.76 117.35 121.09 1jw3 s TYR 18 Ca 0.16 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1jw3 s TYR 18 Cb -0.10 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1jw3 s TYR 18 CO 0.07 0.61 0.00 0.41 -1.11 0.00 0.00 175.55 175.53 1jw3 n GLY 19 N -0.82 4.23 0.00 0.71 0.00 0.39 -3.25 105.19 106.45 1jw3 n GLY 19 Ca -0.07 -1.89 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 -2.39 0.00 0.00 0.00 173.32 170.93 1jw3 n HIS 20 N 0.00 0.00 -2.12 1.61 -0.00 -1.26 -4.77 115.22 108.67 1jw3 n HIS 20 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 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 -3.47 -0.00 0.00 0.00 176.34 172.87 1jw3 n ASP 21 N -0.01 -0.49 0.00 4.39 -0.08 -1.26 -5.00 116.55 114.10 1jw3 n ASP 21 Ca 0.00 -1.99 0.00 0.00 -1.51 0.00 0.00 54.79 51.29 1jw3 n ASP 21 Cb 0.00 0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1jw3 n ASP 21 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1jw3 n LEU 22 N 0.12 0.00 -0.03 -2.67 -0.00 -1.26 -4.39 117.00 108.78 1jw3 n LEU 22 Ca -0.19 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 55.91 1jw3 n LEU 22 Cb 0.81 0.00 0.49 0.00 -0.00 0.00 0.00 43.42 44.72 1jw3 n LEU 22 CO -0.11 0.00 1.17 -0.33 -0.00 0.00 0.00 177.39 178.12 1jw3 h GLU 23 N 0.00 0.40 -0.47 1.96 3.07 -1.95 -2.35 114.58 115.24 1jw3 h GLU 23 Ca 0.00 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1jw3 h GLU 23 Cb 0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.76 1jw3 h GLU 23 CO 0.00 0.27 0.13 1.49 -1.40 0.00 0.00 179.01 179.50 1jw3 h GLU 24 N 0.41 0.28 -0.35 2.33 4.57 -1.89 -2.76 114.58 117.17 1jw3 h GLU 24 Ca 0.21 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1jw3 h GLU 24 Cb 0.31 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1jw3 h GLU 24 CO -0.05 0.18 0.12 -0.39 -1.18 0.00 0.00 179.01 177.69 1jw3 h VAL 25 N 0.29 1.20 0.22 0.32 -1.51 -1.40 -1.81 116.25 113.55 1jw3 h VAL 25 Ca 0.23 -0.64 0.01 0.00 -1.23 0.00 0.00 66.70 65.07 1jw3 h VAL 25 Cb 0.27 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1jw3 h VAL 25 CO -0.27 0.22 -0.27 -0.26 -1.23 0.00 0.00 177.57 175.77 1jw3 h PHE 26 N 0.41 -0.72 -0.16 5.19 0.04 -1.51 -0.86 116.94 119.34 1jw3 h PHE 26 Ca 0.11 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 1jw3 h PHE 26 Cb 0.23 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1jw3 h PHE 26 CO 0.00 -0.38 -0.23 1.05 -0.60 0.00 0.00 178.31 178.15 1jw3 h GLU 27 N -0.54 0.28 0.00 1.51 -0.00 -1.54 -2.13 114.58 112.17 1jw3 h GLU 27 Ca 0.01 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.36 59.23 1jw3 h GLU 27 Cb 0.52 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1jw3 h GLU 27 CO -0.09 0.50 -0.21 -0.97 -0.00 0.00 0.00 179.01 178.25 1jw3 h ASN 28 N 0.26 0.00 -0.68 3.06 -0.73 -0.90 -2.74 115.58 113.84 1jw3 h ASN 28 Ca 0.04 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1jw3 h ASN 28 Cb 0.55 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 1jw3 h ASN 28 CO 0.04 0.21 0.35 0.00 -0.37 0.00 0.00 177.43 177.66 1jw3 h ALA 29 N 1.79 0.88 -0.99 1.57 0.00 -0.45 -2.71 119.26 119.36 1jw3 h ALA 29 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jw3 h ALA 29 Cb 0.43 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1jw3 h ALA 29 CO 0.03 0.42 0.65 0.00 0.00 0.00 0.00 179.25 180.34 1jw3 h ALA 30 N 1.17 1.28 -0.63 0.00 0.00 -1.54 -2.09 119.26 117.45 1jw3 h ALA 30 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jw3 h ALA 30 Cb 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1jw3 h ALA 30 CO -0.03 0.59 0.41 1.37 0.00 0.00 0.00 179.25 181.59 1jw3 h LEU 31 N 1.29 0.67 -0.47 0.00 8.10 -1.52 -2.23 115.31 121.15 1jw3 h LEU 31 Ca 0.38 -0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.44 1jw3 h LEU 31 Cb -0.08 -0.16 -0.07 0.00 -0.44 0.00 0.00 40.66 39.91 1jw3 h LEU 31 CO -0.10 0.47 0.06 0.00 -4.11 0.00 0.00 178.44 174.76 1jw3 h ALA 32 N 1.63 0.50 -0.03 0.17 0.00 -1.28 0.60 119.26 120.83 1jw3 h ALA 32 Ca 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1jw3 h ALA 32 Cb 0.01 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jw3 h ALA 32 CO -0.06 -0.34 -0.07 0.52 0.00 0.00 0.00 179.25 179.29 1jw3 h MET 33 N 0.18 0.11 -0.21 0.00 2.86 -1.53 -3.20 114.93 113.14 1jw3 h MET 33 Ca 0.24 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1jw3 h MET 33 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1jw3 h MET 33 CO -0.34 0.67 0.13 0.74 1.06 0.00 0.00 176.91 179.17 1jw3 h PHE 34 N -0.44 0.27 -0.67 -0.22 0.04 -1.16 1.23 116.94 115.99 1jw3 h PHE 34 Ca -0.00 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.96 1jw3 h PHE 34 Cb 0.67 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1jw3 h PHE 34 CO 0.13 0.19 0.48 0.93 -0.60 0.00 0.00 178.31 179.44 1jw3 h GLU 35 N 0.27 0.05 0.00 1.51 5.08 0.10 0.71 114.58 122.30 1jw3 h GLU 35 Ca 0.08 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 1jw3 h GLU 35 Cb -0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1jw3 h GLU 35 CO -0.02 0.03 -1.95 0.28 -1.00 0.00 0.00 179.01 176.36 1jw3 n VAL 36 N -4.36 0.54 0.18 3.13 0.31 -0.94 -4.38 118.33 112.80 1jw3 n VAL 36 Ca 0.13 -0.54 0.06 0.00 -0.01 0.00 0.00 64.34 63.98 1jw3 n VAL 36 Cb 0.71 -0.22 0.23 0.00 -0.91 0.00 0.00 33.84 33.65 1jw3 n VAL 36 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1jw3 h MET 37 N 0.00 0.00 0.00 5.55 1.85 0.22 0.16 114.93 122.71 1jw3 h MET 37 Ca -0.21 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1jw3 h MET 37 Cb 1.38 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.41 1jw3 h MET 37 CO 0.01 0.36 0.00 -2.37 -0.40 0.00 0.00 176.91 174.52 1jw3 n THR 38 N -3.33 0.00 -3.81 -0.77 5.66 0.18 -2.51 114.28 109.71 1jw3 n THR 38 Ca 0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1jw3 n THR 38 Cb 0.58 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.23 1jw3 n THR 38 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jw3 s ASP 39 N -0.18 3.94 0.53 1.09 2.15 -1.26 -4.38 116.67 118.56 1jw3 s ASP 39 Ca 0.00 -2.96 0.31 0.00 0.43 0.00 0.00 52.55 50.33 1jw3 s ASP 39 Cb 0.00 -1.31 1.38 0.00 -0.30 0.00 0.00 42.92 42.70 1jw3 s ASP 39 CO 0.00 -0.22 2.00 0.71 -0.17 0.00 0.00 175.17 177.49 1jw3 h THR 40 N 5.19 0.27 -0.14 1.71 1.35 -1.85 -3.40 112.91 116.05 1jw3 h THR 40 Ca 0.00 -0.63 -0.17 0.00 -0.55 0.00 0.00 66.41 65.06 1jw3 h THR 40 Cb 0.89 1.49 0.02 0.00 -1.73 0.00 0.00 68.15 68.81 1jw3 h THR 40 CO 0.58 0.09 0.49 -1.54 -0.25 0.00 0.00 175.52 174.89 1jw3 n SER 41 N -3.29 1.65 0.00 5.36 3.41 -1.26 -1.55 113.62 117.94 1jw3 n SER 41 Ca -0.00 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1jw3 n SER 41 Cb 0.30 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 1jw3 n SER 41 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1jw3 n LEU 42 N 16.98 0.00 -4.79 1.04 0.00 -1.26 -5.13 117.00 123.84 1jw3 n LEU 42 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 56.07 1jw3 n LEU 42 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.81 1jw3 n LEU 42 CO 0.71 0.00 -0.01 -0.69 0.00 0.00 0.00 177.39 177.40 1jw3 s VAL 43 N 0.00 5.27 0.00 1.96 1.01 -0.60 -5.05 120.40 123.00 1jw3 s VAL 43 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1jw3 s VAL 43 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1jw3 s VAL 43 CO 0.00 0.49 0.00 -0.62 0.00 0.00 0.00 175.10 174.97 1jw3 n GLU 44 N 2.78 0.00 0.00 2.72 1.02 -1.26 -4.92 120.64 120.98 1jw3 n GLU 44 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1jw3 n GLU 44 Cb 0.53 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 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 -1.06 0.00 -0.01 0.62 0.00 -1.26 -4.64 120.51 114.16 1jw3 n ALA 45 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1jw3 n ALA 45 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 2.33 -2.28 0.00 0.00 -1.26 -4.68 120.51 114.62 1jw3 n ALA 46 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1jw3 n ALA 46 Cb 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.17 1.36 -0.01 0.00 0.41 -1.26 -4.84 118.70 111.19 1jw3 s GLU 47 Ca -0.07 -1.74 -0.02 0.00 -0.41 0.00 0.00 54.97 52.73 1jw3 s GLU 47 Cb 0.11 -0.05 0.00 0.00 -1.78 0.00 0.00 34.13 32.41 1jw3 s GLU 47 CO 0.86 -0.35 0.05 -2.00 -0.49 0.00 0.00 175.26 173.33 1jw3 s GLU 48 N -4.04 0.16 0.01 1.61 2.12 -1.26 -0.18 118.70 117.12 1jw3 s GLU 48 Ca 0.38 -0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 1jw3 s GLU 48 Cb 0.07 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1jw3 s GLU 48 CO 0.14 -0.03 0.03 1.03 -0.54 0.00 0.00 175.26 175.88 1jw3 s ARG 49 N -0.40 0.27 0.02 4.30 0.52 0.54 -4.95 118.95 119.25 1jw3 s ARG 49 Ca -0.05 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1jw3 s ARG 49 Cb -0.03 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 1jw3 s ARG 49 CO 0.00 -0.05 -0.21 -0.98 0.02 0.00 0.00 175.30 174.08 1jw3 s ARG 50 N -1.02 1.55 0.07 3.54 1.70 -1.26 0.11 118.95 123.65 1jw3 s ARG 50 Ca -0.11 -0.87 0.08 0.00 -0.47 0.00 0.00 55.73 54.35 1jw3 s ARG 50 Cb -0.07 -1.60 -0.03 0.00 -0.57 0.00 0.00 34.95 32.68 1jw3 s ARG 50 CO -0.00 0.42 -0.21 0.08 -1.08 0.00 0.00 175.30 174.51 1jw3 s VAL 51 N -0.67 1.67 -0.01 4.99 1.01 0.30 -4.96 120.40 122.72 1jw3 s VAL 51 Ca 0.08 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.76 1jw3 s VAL 51 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1jw3 s VAL 51 CO 0.01 0.07 -0.18 -1.83 0.00 0.00 0.00 175.10 173.16 1jw3 s GLU 52 N -1.53 1.49 0.03 2.72 -1.05 -1.26 -0.68 118.70 118.42 1jw3 s GLU 52 Ca 0.07 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1jw3 s GLU 52 Cb -0.09 -1.44 -0.02 0.00 -0.44 0.00 0.00 34.13 32.13 1jw3 s GLU 52 CO 0.03 0.40 -0.03 0.42 0.95 0.00 0.00 175.26 177.02 1jw3 s ILE 53 N -0.43 0.15 -0.22 1.83 1.01 0.41 -4.93 121.20 119.02 1jw3 s ILE 53 Ca 0.07 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1jw3 s ILE 53 Cb -0.07 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.98 1jw3 s ILE 53 CO -0.01 -0.56 -0.12 -0.89 0.00 0.00 0.00 174.94 173.36 1jw3 s THR 54 N -1.80 1.92 0.32 2.92 2.01 -1.26 0.86 115.64 120.60 1jw3 s THR 54 Ca -0.12 -1.23 0.09 0.00 0.31 0.00 0.00 61.69 60.73 1jw3 s THR 54 Cb -0.07 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 1jw3 s THR 54 CO -0.02 0.16 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.53 1jw3 s SER 55 N 1.27 3.51 -0.30 3.53 0.01 0.41 -4.94 113.70 117.18 1jw3 s SER 55 Ca -0.03 -1.18 0.18 0.00 1.31 0.00 0.00 55.95 56.23 1jw3 s SER 55 Cb -0.17 -0.31 0.46 0.00 0.21 0.00 0.00 66.02 66.21 1jw3 s SER 55 CO -0.08 -0.21 1.30 -0.62 0.41 0.00 0.00 173.24 174.04 1jw3 n GLU 56 N -0.73 1.52 0.00 12.44 1.02 -1.26 0.31 120.64 133.94 1jw3 n GLU 56 Ca -0.05 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 1jw3 n GLU 56 Cb 0.63 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 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 -0.97 0.00 0.00 1.62 -0.08 -1.26 -4.97 116.55 110.90 1jw3 n ASP 57 Ca -0.04 -0.69 0.00 0.00 -1.51 0.00 0.00 54.79 52.56 1jw3 n ASP 57 Cb 0.84 0.00 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 0.54 0.12 0.00 0.00 177.20 177.86 1jw3 n ARG 58 N 0.00 0.00 -0.22 -0.67 3.00 -1.26 -3.78 116.66 113.73 1jw3 n ARG 58 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.85 57.98 1jw3 n ARG 58 Cb 0.27 0.00 0.44 0.00 0.00 0.00 0.00 32.46 33.17 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1jw3 h VAL 59 N 0.00 0.81 0.00 1.55 3.04 -1.93 0.20 116.25 119.92 1jw3 h VAL 59 Ca 0.00 -0.19 -0.11 0.00 -1.01 0.00 0.00 66.70 65.39 1jw3 h VAL 59 Cb 0.00 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 29.48 1jw3 h VAL 59 CO 0.00 0.10 -0.54 0.28 -1.01 0.00 0.00 177.57 176.40 1jw3 h SER 60 N 0.55 0.00 -0.99 3.17 0.02 -1.83 -2.95 113.55 111.53 1jw3 h SER 60 Ca 0.41 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.50 1jw3 h SER 60 Cb 0.79 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.25 1jw3 h SER 60 CO -0.16 0.54 0.62 0.25 -1.14 0.00 0.00 176.83 176.94 1jw3 h LEU 61 N 0.00 0.86 -0.09 5.07 6.46 -0.90 0.14 115.31 126.84 1jw3 h LEU 61 Ca -0.01 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1jw3 h LEU 61 Cb 0.95 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1jw3 h LEU 61 CO 0.07 0.43 0.01 0.25 -0.62 0.00 0.00 178.44 178.58 1jw3 h LEU 62 N 0.91 0.15 -1.51 2.25 7.12 -1.50 1.19 115.31 123.92 1jw3 h LEU 62 Ca 0.50 -0.29 0.08 0.00 0.13 0.00 0.00 57.88 58.31 1jw3 h LEU 62 Cb 0.60 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1jw3 h LEU 62 CO -0.27 0.40 0.43 0.22 -0.13 0.00 0.00 178.44 179.09 1jw3 h TYR 63 N -0.10 0.60 0.00 1.25 3.20 -1.16 -1.10 116.97 119.66 1jw3 h TYR 63 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1jw3 h TYR 63 Cb 0.32 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1jw3 h TYR 63 CO 0.03 0.30 -1.16 -3.47 -1.64 0.00 0.00 178.16 172.22 1jw3 n ASP 64 N -4.48 0.70 0.03 -2.11 -0.08 0.34 -3.25 116.55 107.70 1jw3 n ASP 64 Ca 0.10 0.25 -0.11 0.00 -1.51 0.00 0.00 54.79 53.52 1jw3 n ASP 64 Cb 0.30 0.70 -0.09 0.00 2.34 0.00 0.00 41.12 44.37 1jw3 n ASP 64 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1jw3 h TRP 65 N 0.00 -0.15 -0.25 -0.67 -0.00 0.27 -2.76 115.95 112.38 1jw3 h TRP 65 Ca 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.73 1jw3 h TRP 65 Cb 0.98 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 1jw3 h TRP 65 CO 0.00 0.34 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.25 1jw3 h LEU 66 N -0.80 0.85 -1.63 0.65 3.38 -1.51 -2.86 115.31 113.40 1jw3 h LEU 66 Ca -0.02 -0.53 0.14 0.00 0.09 0.00 0.00 57.88 57.56 1jw3 h LEU 66 Cb 0.55 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1jw3 h LEU 66 CO 0.03 1.22 0.48 -0.78 0.09 0.00 0.00 178.44 179.48 1jw3 h ASP 67 N 0.50 0.35 -0.34 -0.43 3.58 -1.67 0.59 116.42 119.00 1jw3 h ASP 67 Ca 0.01 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1jw3 h ASP 67 Cb 1.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1jw3 h ASP 67 CO 0.10 0.19 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.55 1jw3 h GLU 68 N 0.38 0.71 -0.14 0.28 4.57 -1.26 -2.04 114.58 117.07 1jw3 h GLU 68 Ca 0.35 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1jw3 h GLU 68 Cb 0.83 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1jw3 h GLU 68 CO -0.10 0.73 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.19 1jw3 h LEU 69 N 0.66 0.22 -0.37 1.64 4.07 0.27 -2.84 115.31 118.97 1jw3 h LEU 69 Ca 0.13 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1jw3 h LEU 69 Cb 0.44 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 1jw3 h LEU 69 CO 0.02 0.44 0.16 0.25 -1.08 0.00 0.00 178.44 178.23 1jw3 h LEU 70 N 0.21 0.21 0.12 1.67 7.12 -0.57 0.65 115.31 124.72 1jw3 h LEU 70 Ca 0.04 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1jw3 h LEU 70 Cb 0.49 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1jw3 h LEU 70 CO 0.03 0.16 -0.06 -0.26 -0.13 0.00 0.00 178.44 178.18 1jw3 h PHE 71 N 0.33 -0.14 -0.44 1.25 -1.00 -1.52 -3.23 116.94 112.19 1jw3 h PHE 71 Ca 0.16 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.98 1jw3 h PHE 71 Cb 0.10 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1jw3 h PHE 71 CO -0.12 0.30 0.29 -0.84 -1.61 0.00 0.00 178.31 176.34 1jw3 h ILE 72 N -0.66 1.01 -0.46 -0.55 3.07 -1.47 -2.53 117.51 115.92 1jw3 h ILE 72 Ca -0.02 -0.15 0.09 0.00 1.55 0.00 0.00 64.86 66.34 1jw3 h ILE 72 Cb 0.51 0.54 -0.09 0.00 -0.27 0.00 0.00 36.82 37.50 1jw3 h ILE 72 CO 0.03 0.08 -0.19 -0.74 -1.05 0.00 0.00 178.15 176.27 1jw3 h HIS 73 N 0.44 -0.48 0.00 0.16 2.76 -0.87 0.17 115.15 117.33 1jw3 h HIS 73 Ca 0.18 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1jw3 h HIS 73 Cb 0.18 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1jw3 h HIS 73 CO -0.00 -0.28 -0.63 0.22 -1.30 0.00 0.00 177.93 175.94 1jw3 h ASP 74 N -0.10 0.00 0.39 3.26 3.58 -1.59 1.24 116.42 123.20 1jw3 h ASP 74 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1jw3 h ASP 74 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1jw3 h ASP 74 CO -0.52 0.63 0.00 0.74 -2.88 0.00 0.00 179.24 177.21 1jw3 h THR 75 N 0.00 0.00 0.00 2.25 2.02 -0.45 -3.33 112.91 113.40 1jw3 h THR 75 Ca -0.01 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.83 1jw3 h THR 75 Cb 1.14 1.08 -0.14 0.00 -1.74 0.00 0.00 68.15 68.49 1jw3 h THR 75 CO 0.08 0.00 -0.28 -1.84 0.37 0.00 0.00 175.52 173.85 1jw3 n GLU 76 N -2.88 0.52 -1.70 6.66 0.28 0.34 -5.07 120.64 118.80 1jw3 n GLU 76 Ca -0.01 -1.30 -0.28 0.00 -0.16 0.00 0.00 57.16 55.40 1jw3 n GLU 76 Cb 0.15 -0.88 -0.04 0.00 1.43 0.00 0.00 31.44 32.10 1jw3 n GLU 76 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1jw3 s PHE 77 N 0.39 1.27 0.15 -1.84 5.36 0.42 -4.76 117.98 118.98 1jw3 s PHE 77 Ca 0.28 1.47 0.07 0.00 -0.96 0.00 0.00 56.93 57.79 1jw3 s PHE 77 Cb 0.23 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.20 1jw3 s PHE 77 CO -0.17 -2.10 -0.06 0.96 -1.46 0.00 0.00 175.22 172.40 1jw3 s ILE 78 N 12.27 3.48 0.09 3.12 -0.00 -1.26 -4.23 121.20 134.68 1jw3 s ILE 78 Ca 0.88 -1.41 -0.18 0.00 -0.00 0.00 0.00 60.65 59.94 1jw3 s ILE 78 Cb -0.14 -2.70 -0.07 0.00 -0.00 0.00 0.00 42.46 39.55 1jw3 s ILE 78 CO 0.16 -0.02 1.54 0.25 -0.00 0.00 0.00 174.94 176.87 1jw3 h LEU 79 N 3.09 0.48 -8.86 0.37 7.12 -1.80 -3.45 115.31 112.26 1jw3 h LEU 79 Ca -0.48 -0.30 -0.69 0.00 0.13 0.00 0.00 57.88 56.55 1jw3 h LEU 79 Cb 1.19 -0.13 -0.23 0.00 -0.53 0.00 0.00 40.66 40.96 1jw3 h LEU 79 CO 0.55 0.66 -0.87 0.12 -0.13 0.00 0.00 178.44 178.77 1jw3 s PHE 80 N -5.04 2.35 -0.21 1.25 2.19 -1.26 -3.53 117.98 113.73 1jw3 s PHE 80 Ca -0.13 -0.38 -0.12 0.00 0.33 0.00 0.00 56.93 56.63 1jw3 s PHE 80 Cb 0.08 -1.32 0.06 0.00 -1.31 0.00 0.00 43.02 40.53 1jw3 s PHE 80 CO 0.75 0.26 0.50 0.45 1.83 0.00 0.00 175.22 179.01 1jw3 s SER 81 N -1.72 -0.65 0.16 6.13 0.15 -1.25 -4.36 113.70 112.15 1jw3 s SER 81 Ca 0.13 1.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.77 1jw3 s SER 81 Cb -0.10 0.98 -0.07 0.00 -1.71 0.00 0.00 66.02 65.12 1jw3 s SER 81 CO 0.05 -0.21 0.51 -0.75 1.20 0.00 0.00 173.24 174.04 1jw3 s LYS 82 N 1.42 3.86 -0.18 5.44 2.20 -1.12 -4.88 119.74 126.48 1jw3 s LYS 82 Ca -0.09 0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1jw3 s LYS 82 Cb -0.07 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1jw3 s LYS 82 CO -0.14 0.45 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.08 1jw3 s PHE 83 N -1.57 2.82 -0.02 4.03 0.08 -1.26 -3.90 117.98 118.16 1jw3 s PHE 83 Ca 0.40 -1.31 0.02 0.00 0.12 0.00 0.00 56.93 56.16 1jw3 s PHE 83 Cb -0.13 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1jw3 s PHE 83 CO 0.20 -0.66 -0.08 0.21 -0.10 0.00 0.00 175.22 174.80 1jw3 s LYS 84 N 1.21 0.82 0.06 0.44 2.20 -1.09 -4.93 119.74 118.45 1jw3 s LYS 84 Ca 0.02 -0.25 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 1jw3 s LYS 84 Cb -0.14 -0.78 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 1jw3 s LYS 84 CO -0.07 0.09 -0.13 0.54 -0.36 0.00 0.00 175.35 175.42 1jw3 s VAL 85 N 0.23 1.00 -0.12 4.02 0.11 -1.25 -0.36 120.40 124.02 1jw3 s VAL 85 Ca -0.03 -1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 57.79 1jw3 s VAL 85 Cb -0.08 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1jw3 s VAL 85 CO 0.00 -0.23 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.73 1jw3 s LYS 86 N -1.63 1.48 -0.16 1.54 2.20 1.59 -4.89 119.74 119.86 1jw3 s LYS 86 Ca -0.03 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1jw3 s LYS 86 Cb -0.10 -1.66 -0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1jw3 s LYS 86 CO 0.02 -0.30 -0.14 0.42 -0.36 0.00 0.00 175.35 174.98 1jw3 s ILE 87 N 1.70 2.72 -0.09 5.43 1.01 -1.26 0.20 121.20 130.92 1jw3 s ILE 87 Ca 0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1jw3 s ILE 87 Cb -0.13 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1jw3 s ILE 87 CO -0.08 0.51 -0.06 -0.62 0.00 0.00 0.00 174.94 174.69 1jw3 s ASP 88 N 0.91 1.79 -0.34 3.58 -1.08 -0.47 -4.96 116.67 116.10 1jw3 s ASP 88 Ca -0.03 -0.22 -0.29 0.00 -0.52 0.00 0.00 52.55 51.49 1jw3 s ASP 88 Cb -0.15 -0.68 0.01 0.00 -1.46 0.00 0.00 42.92 40.64 1jw3 s ASP 88 CO -0.01 -0.11 1.25 -1.83 0.52 0.00 0.00 175.17 174.98 1jw3 s GLU 89 N 1.51 3.89 0.00 4.34 -1.05 -1.26 -0.93 118.70 125.19 1jw3 s GLU 89 Ca -0.00 1.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.91 1jw3 s GLU 89 Cb -0.13 -3.87 0.00 0.00 -0.44 0.00 0.00 34.13 29.69 1jw3 s GLU 89 CO -0.05 -1.15 0.00 1.63 0.95 0.00 0.00 175.26 176.64 1jw3 n LYS 90 N 7.37 -0.44 0.00 -4.83 4.76 -0.65 -4.78 118.16 119.60 1jw3 n LYS 90 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1jw3 n LYS 90 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1jw3 n LYS 90 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jw3 n ASP 91 N -2.88 0.00 0.00 4.39 2.03 -1.26 -4.01 116.55 114.82 1jw3 n ASP 91 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jw3 n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1jw3 n ASP 91 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1jw3 n ASP 92 N -0.70 0.00 -1.37 1.67 5.75 -1.26 -5.15 116.55 115.48 1jw3 n ASP 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jw3 n ASP 92 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jw3 n GLY 93 N 0.00 0.87 3.02 6.12 0.00 -1.26 -5.01 105.19 108.93 1jw3 n GLY 93 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 1jw3 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jw3 s LEU 94 N 0.00 2.14 0.03 0.99 2.01 0.93 -1.63 118.68 123.15 1jw3 s LEU 94 Ca 0.00 -0.34 0.06 0.00 0.01 0.00 0.00 54.13 53.86 1jw3 s LEU 94 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 46.19 45.96 1jw3 s LEU 94 CO 0.00 -0.08 -0.17 -1.00 1.01 0.00 0.00 176.35 176.11 1jw3 s HIS 95 N -0.79 1.50 -0.09 0.29 3.76 -0.11 0.16 115.29 120.01 1jw3 s HIS 95 Ca -0.04 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1jw3 s HIS 95 Cb -0.06 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.73 1jw3 s HIS 95 CO 0.00 0.04 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.64 1jw3 s LEU 96 N -0.93 1.53 -0.15 0.89 1.98 0.25 -1.36 118.68 120.89 1jw3 s LEU 96 Ca 0.05 -0.34 0.00 0.00 -2.89 0.00 0.00 54.13 50.95 1jw3 s LEU 96 Cb -0.08 -0.91 0.03 0.00 0.66 0.00 0.00 46.19 45.89 1jw3 s LEU 96 CO 0.01 -0.02 -0.12 -0.89 -1.89 0.00 0.00 176.35 173.43 1jw3 s THR 97 N 1.08 1.49 0.08 3.68 2.01 0.54 0.16 115.64 124.68 1jw3 s THR 97 Ca -0.06 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1jw3 s THR 97 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1jw3 s THR 97 CO -0.02 0.40 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.29 1jw3 s GLY 98 N 1.51 1.16 0.02 4.40 0.00 0.14 0.45 107.32 115.00 1jw3 s GLY 98 Ca 0.04 -1.16 0.08 0.00 0.00 0.00 0.00 44.72 43.68 1jw3 s GLY 98 CO -0.10 -1.15 -0.24 -1.59 0.00 0.00 0.00 173.10 170.02 1jw3 s THR 99 N -1.08 2.28 -0.03 0.90 2.01 0.51 0.11 115.64 120.34 1jw3 s THR 99 Ca 0.06 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1jw3 s THR 99 Cb -0.10 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1jw3 s THR 99 CO 0.03 0.44 -0.05 0.00 -0.69 0.00 0.00 174.62 174.36 1jw3 s ALA 100 N -0.76 0.62 0.12 7.40 0.00 0.31 -2.66 121.76 126.79 1jw3 s ALA 100 Ca 0.12 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1jw3 s ALA 100 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1jw3 s ALA 100 CO 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 175.76 175.69 1jw3 s MET 101 N 0.60 0.99 0.00 0.00 0.23 -1.25 0.20 119.30 120.07 1jw3 s MET 101 Ca -0.08 -1.26 0.00 0.00 -1.03 0.00 0.00 55.69 53.32 1jw3 s MET 101 Cb -0.11 -0.78 0.00 0.00 -1.53 0.00 0.00 34.83 32.41 1jw3 s MET 101 CO 0.00 0.14 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 1jw3 n GLY 102 N 0.41 0.82 3.35 3.16 0.00 0.74 -2.80 105.19 110.88 1jw3 n GLY 102 Ca -0.15 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.12 3.25 0.00 1.61 2.12 -1.26 -4.08 118.70 118.22 1jw3 s GLU 103 Ca 0.00 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.59 1jw3 s GLU 103 Cb 0.00 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1jw3 s GLU 103 CO 0.00 -0.34 0.00 -1.91 -0.54 0.00 0.00 175.26 172.47 1jw3 n GLU 104 N 4.85 0.00 -2.71 4.30 4.07 -1.26 -4.51 120.64 125.38 1jw3 n GLU 104 Ca -0.16 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.54 1jw3 n GLU 104 Cb 0.49 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.82 1jw3 n GLU 104 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1jw3 s ILE 105 N 0.00 4.17 0.38 6.31 2.07 -1.26 -4.53 121.20 128.34 1jw3 s ILE 105 Ca 0.00 2.02 0.07 0.00 -1.41 0.00 0.00 60.65 61.34 1jw3 s ILE 105 Cb 0.00 -4.29 -0.01 0.00 0.13 0.00 0.00 42.46 38.29 1jw3 s ILE 105 CO 0.00 0.42 0.41 -0.54 -1.91 0.00 0.00 174.94 173.32 1jw3 s LYS 106 N -0.74 2.78 0.18 3.50 1.02 -1.26 -5.03 119.74 120.19 1jw3 s LYS 106 Ca 0.44 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 55.00 1jw3 s LYS 106 Cb -0.26 -2.58 0.09 0.00 -0.52 0.00 0.00 37.83 34.56 1jw3 s LYS 106 CO 0.32 -0.07 1.84 0.93 -0.92 0.00 0.00 175.35 177.45 1jw3 h GLU 107 N 0.99 0.72 -2.49 1.68 5.08 -2.03 -3.16 114.58 115.36 1jw3 h GLU 107 Ca -0.43 -0.04 -0.76 0.00 -1.00 0.00 0.00 59.36 57.13 1jw3 h GLU 107 Cb 1.26 -0.16 -0.31 0.00 0.50 0.00 0.00 28.75 30.04 1jw3 h GLU 107 CO 0.54 0.48 0.57 0.41 -1.00 0.00 0.00 179.01 180.01 1jw3 n GLY 108 N -1.25 5.58 3.76 -3.84 0.00 -1.26 -5.04 105.19 103.14 1jw3 n GLY 108 Ca 0.04 -2.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.01 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 -3.47 2.41 -0.51 1.61 2.46 -1.20 -4.94 115.29 111.65 1jw3 s HIS 109 Ca 0.37 1.34 -0.27 0.00 0.47 0.00 0.00 55.06 56.97 1jw3 s HIS 109 Cb 0.14 -3.83 0.03 0.00 -0.13 0.00 0.00 32.58 28.80 1jw3 s HIS 109 CO -0.03 -2.82 1.05 -1.21 -2.47 0.00 0.00 174.74 169.27 1jw3 s GLU 110 N -2.67 3.54 -0.10 2.88 2.02 -1.26 -5.02 118.70 118.09 1jw3 s GLU 110 Ca 0.66 0.22 -0.01 0.00 0.02 0.00 0.00 54.97 55.86 1jw3 s GLU 110 Cb -0.41 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 29.82 1jw3 s GLU 110 CO 0.51 -1.42 -0.03 1.03 0.02 0.00 0.00 175.26 175.36 1jw3 s ARG 111 N 4.27 3.06 0.00 1.61 1.81 -1.26 -4.04 118.95 124.40 1jw3 s ARG 111 Ca 0.40 -0.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.92 1jw3 s ARG 111 Cb -0.09 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.67 1jw3 s ARG 111 CO 0.26 0.58 0.00 0.54 -0.68 0.00 0.00 175.30 176.00 1jw3 n ARG 112 N 2.51 0.00 -3.15 3.54 1.74 -1.04 -4.95 116.66 115.30 1jw3 n ARG 112 Ca -0.18 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.64 1jw3 n ARG 112 Cb 0.53 -0.04 -0.01 0.00 -1.02 0.00 0.00 32.46 31.91 1jw3 n ARG 112 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jw3 s ASP 113 N -1.19 6.32 -0.23 0.55 2.15 0.55 -5.00 116.67 119.83 1jw3 s ASP 113 Ca 0.00 0.66 0.02 0.00 0.43 0.00 0.00 52.55 53.65 1jw3 s ASP 113 Cb 0.00 -2.12 0.05 0.00 -0.30 0.00 0.00 42.92 40.54 1jw3 s ASP 113 CO 0.00 -0.35 -0.13 -0.70 -0.17 0.00 0.00 175.17 173.82 1jw3 s GLU 114 N -4.25 2.37 -0.15 4.34 2.12 -1.26 -4.69 118.70 117.17 1jw3 s GLU 114 Ca 0.43 -1.10 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 1jw3 s GLU 114 Cb -0.10 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 1jw3 s GLU 114 CO 0.37 -0.45 -0.08 0.54 -0.54 0.00 0.00 175.26 175.10 1jw3 s VAL 115 N 1.22 3.50 -0.27 3.70 0.11 -1.11 -4.58 120.40 122.97 1jw3 s VAL 115 Ca -0.04 -0.50 0.23 0.00 -2.93 0.00 0.00 61.98 58.74 1jw3 s VAL 115 Cb -0.17 -2.51 0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1jw3 s VAL 115 CO -0.08 0.50 1.13 0.11 -3.33 0.00 0.00 175.10 173.43 1jw3 h LYS 116 N 6.82 0.00 0.00 1.54 1.79 0.63 -3.48 116.57 123.86 1jw3 h LYS 116 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1jw3 h LYS 116 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jw3 h LYS 116 CO 0.60 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.97 1jw3 n ALA 117 N -2.17 0.00 -3.93 3.86 0.00 -1.23 -4.98 120.51 112.06 1jw3 n ALA 117 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1jw3 n ALA 117 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1jw3 n ALA 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jw3 s VAL 118 N -2.00 2.46 -0.34 0.00 -7.23 -1.26 0.18 120.40 112.20 1jw3 s VAL 118 Ca 0.00 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1jw3 s VAL 118 Cb 0.00 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.53 1jw3 s VAL 118 CO 0.00 -0.15 0.07 -0.89 -0.31 0.00 0.00 175.10 173.82 1jw3 s THR 119 N 1.12 2.84 0.00 5.32 2.01 -1.26 -4.85 115.64 120.82 1jw3 s THR 119 Ca -0.05 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.09 1jw3 s THR 119 Cb -0.20 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1jw3 s THR 119 CO -0.04 -0.41 0.00 0.49 -0.69 0.00 0.00 174.62 173.96 1jw3 n PHE 120 N 4.51 0.00 -0.21 4.92 3.01 -1.26 -4.67 117.46 123.75 1jw3 n PHE 120 Ca -0.06 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.40 1jw3 n PHE 120 Cb 0.42 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.00 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1jw3 h HIS 121 N 1.50 0.53 0.00 1.38 2.07 -1.89 -3.45 115.15 115.28 1jw3 h HIS 121 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1jw3 h HIS 121 Cb 0.00 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 29.84 1jw3 h HIS 121 CO 0.00 0.19 0.00 -1.33 -3.07 0.00 0.00 177.93 173.72 1jw3 n MET 122 N -4.90 0.00 -4.25 5.12 2.81 -1.26 -4.62 117.12 110.02 1jw3 n MET 122 Ca 0.09 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.61 1jw3 n MET 122 Cb 0.24 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.72 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 -2.82 -2.93 -4.89 0.03 2.00 0.14 -4.93 117.12 103.72 1jw3 n MET 123 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 57.70 57.72 1jw3 n MET 123 Cb 0.00 -5.05 -0.14 0.00 0.00 0.00 0.00 33.22 28.03 1jw3 n MET 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1jw3 s GLU 124 N -6.96 2.97 -0.33 0.03 2.12 -1.25 -4.49 118.70 110.80 1jw3 s GLU 124 Ca 0.74 -0.72 -0.09 0.00 0.36 0.00 0.00 54.97 55.26 1jw3 s GLU 124 Cb -0.41 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.52 1jw3 s GLU 124 CO 0.94 0.38 0.14 0.42 -0.54 0.00 0.00 175.26 176.60 1jw3 s ILE 125 N -0.10 4.32 -0.13 -3.70 -1.09 -1.26 -2.52 121.20 116.73 1jw3 s ILE 125 Ca -0.02 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1jw3 s ILE 125 Cb -0.14 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1jw3 s ILE 125 CO 0.04 -0.05 0.07 -0.22 -1.23 0.00 0.00 174.94 173.54 1jw3 s LEU 126 N 1.54 3.92 -0.21 2.97 1.98 0.37 -4.88 118.68 124.37 1jw3 s LEU 126 Ca 0.03 0.23 -0.05 0.00 -2.89 0.00 0.00 54.13 51.45 1jw3 s LEU 126 Cb -0.18 -1.95 -0.02 0.00 0.66 0.00 0.00 46.19 44.71 1jw3 s LEU 126 CO 0.05 0.32 -0.02 -1.81 -1.89 0.00 0.00 176.35 173.00 1jw3 s ASP 127 N -0.50 4.61 -0.09 3.68 1.01 -1.26 -0.21 116.67 123.91 1jw3 s ASP 127 Ca 0.10 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.11 1jw3 s ASP 127 Cb -0.12 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1jw3 s ASP 127 CO 0.02 0.03 -0.17 -0.70 0.21 0.00 0.00 175.17 174.55 1jw3 s GLU 128 N 1.21 2.35 -2.16 8.23 -6.30 0.10 -4.69 118.70 117.44 1jw3 s GLU 128 Ca 0.03 -0.63 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 1jw3 s GLU 128 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 34.13 32.10 1jw3 s GLU 128 CO 0.00 0.04 0.00 -0.25 0.02 0.00 0.00 175.26 175.08 1jw3 n ASP 129 N 3.86 -5.42 0.00 -1.70 9.92 -1.26 -0.10 116.55 121.85 1jw3 n ASP 129 Ca -0.20 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1jw3 n ASP 129 Cb 0.52 -4.78 0.00 0.00 -0.64 0.00 0.00 41.12 36.22 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jw3 n GLY 130 N -0.40 0.72 3.89 0.44 0.00 -1.26 -5.05 105.19 103.53 1jw3 n GLY 130 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1jw3 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jw3 s LEU 131 N 0.00 4.36 -0.09 0.99 1.43 0.86 -4.97 118.68 121.26 1jw3 s LEU 131 Ca 0.00 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1jw3 s LEU 131 Cb 0.00 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1jw3 s LEU 131 CO 0.00 0.24 0.14 0.27 0.23 0.00 0.00 176.35 177.23 1jw3 s ILE 132 N -1.33 5.36 -0.01 -0.59 -0.00 -1.26 0.02 121.20 123.39 1jw3 s ILE 132 Ca 0.28 0.06 0.02 0.00 -0.00 0.00 0.00 60.65 61.02 1jw3 s ILE 132 Cb -0.13 -3.37 0.00 0.00 -0.00 0.00 0.00 42.46 38.96 1jw3 s ILE 132 CO 0.17 0.54 -0.07 -0.54 -0.00 0.00 0.00 174.94 175.05 1jw3 s LYS 133 N -1.25 0.67 0.10 0.37 3.01 0.71 0.15 119.74 123.50 1jw3 s LYS 133 Ca 0.18 -0.24 0.09 0.00 -1.01 0.00 0.00 55.97 54.99 1jw3 s LYS 133 Cb -0.12 -0.66 -0.04 0.00 -1.01 0.00 0.00 37.83 36.01 1jw3 s LYS 133 CO 0.08 0.11 -0.19 0.00 0.51 0.00 0.00 175.35 175.86 1jw3 s ALA 134 N 0.07 2.63 -0.15 5.17 0.00 0.23 -0.47 121.76 129.23 1jw3 s ALA 134 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1jw3 s ALA 134 Cb -0.06 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1jw3 s ALA 134 CO -0.00 0.58 -0.15 -0.98 0.00 0.00 0.00 175.76 175.22 1jw3 s ARG 135 N -1.94 2.36 -0.16 0.00 1.70 -1.05 -0.25 118.95 119.61 1jw3 s ARG 135 Ca 0.17 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1jw3 s ARG 135 Cb -0.10 -2.17 0.04 0.00 -0.57 0.00 0.00 34.95 32.15 1jw3 s ARG 135 CO 0.08 -0.24 -0.03 0.08 -1.08 0.00 0.00 175.30 174.11 1jw3 s VAL 136 N 1.46 0.90 -0.09 4.99 1.01 -0.46 0.26 120.40 128.48 1jw3 s VAL 136 Ca 0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1jw3 s VAL 136 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1jw3 s VAL 136 CO -0.11 0.08 0.08 -0.63 0.00 0.00 0.00 175.10 174.52 1jw3 s ILE 137 N 1.72 4.92 0.13 2.22 1.01 -1.25 0.33 121.20 130.28 1jw3 s ILE 137 Ca 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1jw3 s ILE 137 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1jw3 s ILE 137 CO -0.07 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.56 1jw3 s LEU 138 N -1.09 2.96 0.24 2.97 2.01 0.35 -4.34 118.68 121.77 1jw3 s LEU 138 Ca 0.16 -0.48 -0.27 0.00 0.01 0.00 0.00 54.13 53.54 1jw3 s LEU 138 Cb -0.12 -1.72 -0.09 0.00 0.01 0.00 0.00 46.19 44.27 1jw3 s LEU 138 CO 0.05 0.15 0.87 -0.62 1.01 0.00 0.00 176.35 177.81 1jw3 s ASP 139 N -2.43 7.45 0.00 2.29 -1.08 0.47 -0.58 116.67 122.80 1jw3 s ASP 139 Ca 0.22 1.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 1jw3 s ASP 139 Cb -0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1jw3 s ASP 139 CO 0.14 0.11 0.10 -0.11 0.52 0.00 0.00 175.17 175.93