#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 -1.35 0.00 3.17 4.76 -1.26 -1.55 118.16 121.93 1jw3 n LYS 2 Ca 0.00 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 1jw3 n LYS 2 Cb 0.00 -5.37 0.00 0.00 -1.84 0.00 0.00 35.03 27.82 1jw3 n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jw3 n GLY 3 N -0.92 0.91 2.94 0.72 0.00 -1.26 -5.03 105.19 102.55 1jw3 n GLY 3 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.26 -0.08 -0.11 1.61 -0.71 -0.59 -1.20 117.98 114.64 1jw3 s PHE 4 Ca 0.00 0.20 -0.07 0.00 -1.04 0.00 0.00 56.93 56.02 1jw3 s PHE 4 Cb 0.00 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1jw3 s PHE 4 CO 0.00 -0.04 0.26 -1.83 -1.34 0.00 0.00 175.22 172.27 1jw3 s GLU 5 N 0.08 0.27 0.07 1.99 4.04 -0.54 0.11 118.70 124.71 1jw3 s GLU 5 Ca -0.00 0.46 0.07 0.00 0.04 0.00 0.00 54.97 55.54 1jw3 s GLU 5 Cb -0.01 0.02 -0.04 0.00 0.02 0.00 0.00 34.13 34.13 1jw3 s GLU 5 CO -0.00 -0.10 -0.14 -0.59 -1.84 0.00 0.00 175.26 172.59 1jw3 s PHE 6 N 0.69 2.65 -0.07 4.83 -0.71 -1.26 0.22 117.98 124.33 1jw3 s PHE 6 Ca -0.05 -0.20 -0.00 0.00 -1.04 0.00 0.00 56.93 55.64 1jw3 s PHE 6 Cb -0.06 -1.45 -0.03 0.00 -1.21 0.00 0.00 43.02 40.27 1jw3 s PHE 6 CO -0.04 0.34 -0.04 -0.59 -1.34 0.00 0.00 175.22 173.55 1jw3 s PHE 7 N -1.06 3.02 -0.60 3.49 -0.71 -0.60 -4.99 117.98 116.52 1jw3 s PHE 7 Ca 0.17 0.08 -0.25 0.00 -1.04 0.00 0.00 56.93 55.89 1jw3 s PHE 7 Cb -0.11 -1.73 0.04 0.00 -1.21 0.00 0.00 43.02 40.01 1jw3 s PHE 7 CO 0.09 0.38 1.06 0.16 -1.34 0.00 0.00 175.22 175.58 1jw3 s ASP 8 N -0.87 6.31 0.10 1.98 -4.77 -1.26 -3.71 116.67 114.45 1jw3 s ASP 8 Ca 0.13 -0.35 0.04 0.00 -3.30 0.00 0.00 52.55 49.07 1jw3 s ASP 8 Cb -0.11 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.20 1jw3 s ASP 8 CO 0.02 -1.42 0.07 -0.69 0.70 0.00 0.00 175.17 173.85 1jw3 s VAL 9 N 4.50 4.38 -0.43 2.11 1.01 -1.13 -5.07 120.40 125.77 1jw3 s VAL 9 Ca 0.33 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1jw3 s VAL 9 Cb -0.11 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1jw3 s VAL 9 CO 0.19 0.08 0.79 -0.89 0.00 0.00 0.00 175.10 175.27 1jw3 s THR 10 N -1.43 4.65 0.00 3.92 2.01 -1.26 -3.85 115.64 119.68 1jw3 s THR 10 Ca 0.29 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1jw3 s THR 10 Cb -0.12 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.09 1jw3 s THR 10 CO 0.21 -0.67 0.00 0.00 -0.69 0.00 0.00 174.62 173.47 1jw3 n ALA 11 N 6.69 0.00 -2.51 7.40 0.00 -1.26 -5.00 120.51 125.83 1jw3 n ALA 11 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1jw3 n ALA 11 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 3.13 -0.15 0.00 -4.77 -1.25 0.20 116.67 113.83 1jw3 s ASP 12 Ca 0.00 -1.31 -0.06 0.00 -3.30 0.00 0.00 52.55 47.88 1jw3 s ASP 12 Cb 0.00 -0.24 0.07 0.00 -1.09 0.00 0.00 42.92 41.66 1jw3 s ASP 12 CO 0.00 -0.45 0.32 0.00 0.70 0.00 0.00 175.17 175.74 1jw3 s ALA 13 N -2.96 -0.77 -0.10 2.11 0.00 0.94 -2.83 121.76 118.15 1jw3 s ALA 13 Ca 0.34 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1jw3 s ALA 13 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1jw3 s ALA 13 CO 0.16 -0.66 -0.07 0.20 0.00 0.00 0.00 175.76 175.39 1jw3 s GLY 14 N 2.43 1.69 0.21 0.00 0.00 -1.24 0.23 107.32 110.63 1jw3 s GLY 14 Ca -0.00 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.91 1jw3 s GLY 14 CO -0.10 -0.45 0.17 -1.36 0.00 0.00 0.00 173.10 171.35 1jw3 s PHE 15 N -0.38 3.13 -0.13 1.90 0.40 0.12 -1.56 117.98 121.46 1jw3 s PHE 15 Ca 0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1jw3 s PHE 15 Cb -0.12 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 1jw3 s PHE 15 CO 0.02 0.52 -0.08 -1.58 0.70 0.00 0.00 175.22 174.80 1jw3 s TRP 16 N -1.94 2.92 0.12 0.36 0.52 0.59 -1.14 118.94 120.37 1jw3 s TRP 16 Ca 0.32 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.15 1jw3 s TRP 16 Cb -0.09 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1jw3 s TRP 16 CO 0.24 -0.05 -0.25 0.00 0.02 0.00 0.00 176.95 176.91 1jw3 s ALA 17 N 0.17 2.41 0.25 0.98 0.00 0.12 -1.47 121.76 124.23 1jw3 s ALA 17 Ca -0.04 -1.42 0.09 0.00 0.00 0.00 0.00 51.96 50.59 1jw3 s ALA 17 Cb -0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1jw3 s ALA 17 CO 0.04 0.55 0.01 0.71 0.00 0.00 0.00 175.76 177.06 1jw3 s TYR 18 N -1.04 2.73 0.25 0.00 1.51 -0.34 0.10 117.35 120.56 1jw3 s TYR 18 Ca 0.14 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1jw3 s TYR 18 Cb -0.10 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1jw3 s TYR 18 CO 0.06 0.60 0.14 0.41 -1.11 0.00 0.00 175.55 175.66 1jw3 n GLY 19 N -0.81 3.14 0.00 0.71 0.00 0.35 -3.87 105.19 104.70 1jw3 n GLY 19 Ca -0.07 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.97 0.00 0.00 1.61 -0.00 -1.26 -4.67 115.22 109.92 1jw3 n HIS 20 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1jw3 n HIS 20 Cb 0.29 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 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 0.00 0.00 0.26 9.92 -1.26 -4.92 116.55 120.55 1jw3 n ASP 21 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jw3 n ASP 21 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1jw3 n LEU 22 N 0.00 0.00 -0.28 0.64 7.99 -1.26 -4.39 117.00 119.70 1jw3 n LEU 22 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.03 1jw3 n LEU 22 Cb 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.48 1jw3 n LEU 22 CO 0.00 0.00 1.13 -0.33 -1.51 0.00 0.00 177.39 176.68 1jw3 h GLU 23 N 0.00 0.73 -0.49 3.23 3.07 -1.93 -2.53 114.58 116.65 1jw3 h GLU 23 Ca 0.00 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1jw3 h GLU 23 Cb 0.00 -0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 27.68 1jw3 h GLU 23 CO 0.00 0.48 0.09 1.49 -1.40 0.00 0.00 179.01 179.67 1jw3 h GLU 24 N 0.75 0.21 -0.82 2.33 4.57 -1.91 -2.73 114.58 116.99 1jw3 h GLU 24 Ca 0.40 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1jw3 h GLU 24 Cb 0.39 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1jw3 h GLU 24 CO -0.26 0.14 0.38 -0.39 -1.18 0.00 0.00 179.01 177.70 1jw3 h VAL 25 N 0.22 1.26 0.03 0.32 -1.51 -1.56 -0.53 116.25 114.48 1jw3 h VAL 25 Ca 0.25 -0.74 0.03 0.00 -1.23 0.00 0.00 66.70 65.00 1jw3 h VAL 25 Cb 0.34 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 29.68 1jw3 h VAL 25 CO -0.33 0.31 -0.26 -0.26 -1.23 0.00 0.00 177.57 175.80 1jw3 h PHE 26 N 1.17 -0.69 -0.10 5.19 0.04 -1.45 -0.65 116.94 120.46 1jw3 h PHE 26 Ca 0.28 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.94 1jw3 h PHE 26 Cb 0.14 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1jw3 h PHE 26 CO 0.02 -0.35 -0.50 0.93 -0.60 0.00 0.00 178.31 177.81 1jw3 h GLU 27 N -0.41 0.27 0.00 1.51 4.39 -1.50 -2.73 114.58 116.10 1jw3 h GLU 27 Ca 0.05 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1jw3 h GLU 27 Cb 0.48 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1jw3 h GLU 27 CO -0.20 0.71 -0.04 -0.97 -1.16 0.00 0.00 179.01 177.35 1jw3 h ASN 28 N 0.21 0.00 -0.54 1.42 -0.73 -0.49 -2.23 115.58 113.23 1jw3 h ASN 28 Ca 0.01 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.25 1jw3 h ASN 28 Cb 0.95 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.49 1jw3 h ASN 28 CO 0.08 0.04 0.23 0.00 -0.37 0.00 0.00 177.43 177.40 1jw3 h ALA 29 N 1.96 0.68 0.00 1.57 0.00 -0.80 -0.09 119.26 122.58 1jw3 h ALA 29 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jw3 h ALA 29 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jw3 h ALA 29 CO 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 179.25 178.83 1jw3 h ALA 30 N 1.34 1.32 0.53 0.00 0.00 -1.54 -3.14 119.26 117.76 1jw3 h ALA 30 Ca 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jw3 h ALA 30 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jw3 h ALA 30 CO -0.23 0.34 -0.34 1.25 0.00 0.00 0.00 179.25 180.26 1jw3 h LEU 31 N 0.00 -0.87 -0.91 0.00 6.46 -0.93 0.74 115.31 119.80 1jw3 h LEU 31 Ca -0.00 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1jw3 h LEU 31 Cb 0.56 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.67 1jw3 h LEU 31 CO 0.03 -0.53 0.55 0.00 -0.62 0.00 0.00 178.44 177.87 1jw3 h ALA 32 N -0.44 1.32 -0.04 1.25 0.00 -1.46 0.81 119.26 120.69 1jw3 h ALA 32 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jw3 h ALA 32 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jw3 h ALA 32 CO 0.05 0.19 -0.08 1.98 0.00 0.00 0.00 179.25 181.38 1jw3 h MET 33 N 0.91 0.12 -0.50 0.00 1.85 -1.47 -3.15 114.93 112.69 1jw3 h MET 33 Ca 0.44 -0.08 -0.07 0.00 -0.61 0.00 0.00 59.70 59.38 1jw3 h MET 33 Cb 0.38 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 1jw3 h MET 33 CO -0.24 0.67 0.05 0.74 -0.40 0.00 0.00 176.91 177.73 1jw3 h PHE 34 N -0.42 0.92 -0.68 1.39 0.04 0.86 0.31 116.94 119.35 1jw3 h PHE 34 Ca -0.00 -0.14 0.19 0.00 2.80 0.00 0.00 57.97 60.82 1jw3 h PHE 34 Cb 0.67 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1jw3 h PHE 34 CO 0.12 0.84 0.48 0.93 -0.60 0.00 0.00 178.31 180.09 1jw3 h GLU 35 N 0.73 0.07 0.06 1.51 5.08 0.56 0.73 114.58 123.31 1jw3 h GLU 35 Ca 0.15 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 1jw3 h GLU 35 Cb 0.44 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1jw3 h GLU 35 CO 0.02 0.05 -2.26 0.28 -1.00 0.00 0.00 179.01 176.10 1jw3 n VAL 36 N -4.37 1.62 -0.25 3.13 0.31 -1.01 -4.33 118.33 113.43 1jw3 n VAL 36 Ca 0.13 -0.61 0.02 0.00 -0.01 0.00 0.00 64.34 63.87 1jw3 n VAL 36 Cb 0.70 -1.55 0.25 0.00 -0.91 0.00 0.00 33.84 32.33 1jw3 n VAL 36 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1jw3 h MET 37 N 0.03 0.98 0.00 5.55 2.86 0.22 -3.31 114.93 121.27 1jw3 h MET 37 Ca -0.51 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1jw3 h MET 37 Cb 1.97 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.40 1jw3 h MET 37 CO -0.01 0.65 0.00 0.25 1.06 0.00 0.00 176.91 178.86 1jw3 n THR 38 N -4.45 0.00 -4.01 2.22 -2.24 0.19 -4.77 114.28 101.22 1jw3 n THR 38 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1jw3 n THR 38 Cb 0.11 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 1jw3 n THR 38 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jw3 s ASP 39 N -2.90 0.44 0.25 3.42 1.11 -1.26 -4.07 116.67 113.65 1jw3 s ASP 39 Ca 0.00 -0.37 -0.05 0.00 0.18 0.00 0.00 52.55 52.31 1jw3 s ASP 39 Cb 0.00 0.04 0.32 0.00 1.07 0.00 0.00 42.92 44.34 1jw3 s ASP 39 CO 0.00 -0.16 1.88 0.00 1.18 0.00 0.00 175.17 178.07 1jw3 h THR 40 N 4.74 1.12 0.00 -1.27 1.03 -1.85 -3.36 112.91 113.32 1jw3 h THR 40 Ca -0.31 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 1jw3 h THR 40 Cb 1.20 -0.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1jw3 h THR 40 CO 0.44 0.20 0.00 -0.24 -0.01 0.00 0.00 175.52 175.91 1jw3 n SER 41 N -4.53 0.00 -1.92 0.00 2.88 -1.26 -2.81 113.62 105.98 1jw3 n SER 41 Ca 0.12 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.65 1jw3 n SER 41 Cb 0.12 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.61 1jw3 n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jw3 n LEU 42 N 0.00 0.04 -4.56 2.46 -0.00 -1.26 -5.08 117.00 108.59 1jw3 n LEU 42 Ca 0.00 -2.49 -0.42 0.00 -0.00 0.00 0.00 56.01 53.10 1jw3 n LEU 42 Cb 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 43.48 1jw3 n LEU 42 CO 0.00 1.16 0.37 -0.69 -0.00 0.00 0.00 177.39 178.23 1jw3 s VAL 43 N -0.82 4.89 -1.01 1.47 1.01 -1.12 -4.92 120.40 119.90 1jw3 s VAL 43 Ca 0.18 0.47 0.12 0.00 0.00 0.00 0.00 61.98 62.75 1jw3 s VAL 43 Cb 0.28 -4.09 0.54 0.00 0.00 0.00 0.00 36.38 33.11 1jw3 s VAL 43 CO -0.09 -0.36 1.39 -0.62 0.00 0.00 0.00 175.10 175.42 1jw3 n GLU 44 N 6.05 3.23 -1.55 2.72 -0.58 -1.26 -4.92 120.64 124.32 1jw3 n GLU 44 Ca -0.02 -2.11 -0.00 0.00 -0.42 0.00 0.00 57.16 54.61 1jw3 n GLU 44 Cb 0.48 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1jw3 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jw3 n ALA 45 N 0.65 -2.33 0.03 0.62 0.00 -1.26 -4.93 120.51 113.29 1jw3 n ALA 45 Ca 0.19 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1jw3 n ALA 45 Cb 0.75 -0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 1jw3 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw3 h ALA 46 N 0.05 -0.06 -1.50 0.00 0.00 -1.87 -3.41 119.26 112.46 1jw3 h ALA 46 Ca 0.00 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 1jw3 h ALA 46 Cb 0.48 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1jw3 h ALA 46 CO 0.01 0.34 -0.49 -1.21 0.00 0.00 0.00 179.25 177.89 1jw3 s GLU 47 N -2.53 2.21 -0.02 0.00 0.41 -1.26 -4.85 118.70 112.65 1jw3 s GLU 47 Ca -0.14 -1.89 -0.02 0.00 -0.41 0.00 0.00 54.97 52.51 1jw3 s GLU 47 Cb 0.01 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1jw3 s GLU 47 CO 0.82 -0.15 0.06 -2.00 -0.49 0.00 0.00 175.26 173.50 1jw3 s GLU 48 N -3.91 0.10 -0.05 1.61 2.12 -1.26 -1.19 118.70 116.13 1jw3 s GLU 48 Ca 0.39 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 1jw3 s GLU 48 Cb 0.04 0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.50 1jw3 s GLU 48 CO 0.21 -0.02 0.02 -0.98 -0.54 0.00 0.00 175.26 173.96 1jw3 s ARG 49 N -0.12 0.33 -0.04 4.30 1.70 0.34 -4.95 118.95 120.52 1jw3 s ARG 49 Ca -0.02 0.17 -0.01 0.00 -0.47 0.00 0.00 55.73 55.41 1jw3 s ARG 49 Cb -0.01 -0.70 -0.04 0.00 -0.57 0.00 0.00 34.95 33.63 1jw3 s ARG 49 CO 0.00 -0.26 0.03 -0.98 -1.08 0.00 0.00 175.30 173.01 1jw3 s ARG 50 N 1.74 2.96 0.04 3.89 1.70 -1.26 -0.10 118.95 127.92 1jw3 s ARG 50 Ca 0.00 -0.48 0.05 0.00 -0.47 0.00 0.00 55.73 54.83 1jw3 s ARG 50 Cb -0.13 -2.79 -0.02 0.00 -0.57 0.00 0.00 34.95 31.44 1jw3 s ARG 50 CO -0.03 0.67 -0.14 0.08 -1.08 0.00 0.00 175.30 174.80 1jw3 s VAL 51 N -1.03 1.08 -0.05 4.99 1.01 0.24 -4.96 120.40 121.67 1jw3 s VAL 51 Ca 0.18 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1jw3 s VAL 51 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1jw3 s VAL 51 CO 0.08 -0.04 -0.17 -1.83 0.00 0.00 0.00 175.10 173.13 1jw3 s GLU 52 N -1.23 1.92 0.02 2.72 -1.05 -1.26 -0.80 118.70 119.01 1jw3 s GLU 52 Ca 0.01 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1jw3 s GLU 52 Cb -0.08 -1.62 -0.02 0.00 -0.44 0.00 0.00 34.13 31.98 1jw3 s GLU 52 CO 0.01 0.20 -0.02 0.42 0.95 0.00 0.00 175.26 176.82 1jw3 s ILE 53 N 0.19 0.10 -0.23 1.83 1.01 0.22 -4.95 121.20 119.37 1jw3 s ILE 53 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1jw3 s ILE 53 Cb -0.13 -0.21 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1jw3 s ILE 53 CO 0.03 -0.37 -0.11 0.42 0.00 0.00 0.00 174.94 174.92 1jw3 s THR 54 N -1.09 1.86 0.30 2.92 -4.23 -1.26 0.19 115.64 114.33 1jw3 s THR 54 Ca -0.12 -1.27 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 1jw3 s THR 54 Cb -0.07 -1.95 -0.06 0.00 1.34 0.00 0.00 72.50 71.75 1jw3 s THR 54 CO -0.01 0.08 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.51 1jw3 s SER 55 N 1.28 3.27 -0.35 3.99 0.15 0.50 -4.94 113.70 117.59 1jw3 s SER 55 Ca -0.04 -1.16 0.14 0.00 0.70 0.00 0.00 55.95 55.59 1jw3 s SER 55 Cb -0.18 -0.26 0.39 0.00 -1.71 0.00 0.00 66.02 64.26 1jw3 s SER 55 CO -0.07 -0.22 0.82 -0.62 1.20 0.00 0.00 173.24 174.35 1jw3 n GLU 56 N -0.66 1.03 -0.13 5.44 1.02 -1.26 0.18 120.64 126.25 1jw3 n GLU 56 Ca -0.05 -3.30 -0.00 0.00 -0.02 0.00 0.00 57.16 53.78 1jw3 n GLU 56 Cb 0.63 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.16 -0.01 0.00 1.62 -0.08 -1.26 -4.95 116.55 112.03 1jw3 n ASP 57 Ca 0.19 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1jw3 n ASP 57 Cb 0.72 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.18 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 -0.31 -0.67 5.12 -1.26 -3.57 116.66 115.97 1jw3 n ARG 58 Ca -0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1jw3 n ARG 58 Cb 0.07 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 31.57 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1jw3 h VAL 59 N 0.00 0.86 -0.91 1.55 -1.51 -1.93 -0.43 116.25 113.88 1jw3 h VAL 59 Ca 0.00 -0.27 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 1jw3 h VAL 59 Cb 0.00 -0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.09 1jw3 h VAL 59 CO 0.00 0.15 0.56 -1.28 -1.23 0.00 0.00 177.57 175.77 1jw3 h SER 60 N 0.80 0.86 -0.82 4.19 0.87 -1.86 0.13 113.55 117.72 1jw3 h SER 60 Ca 0.44 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 61.18 1jw3 h SER 60 Cb 0.48 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 1jw3 h SER 60 CO -0.28 0.52 0.54 0.25 -0.53 0.00 0.00 176.83 177.33 1jw3 h LEU 61 N 0.98 0.48 -0.03 2.23 5.85 -1.37 0.39 115.31 123.83 1jw3 h LEU 61 Ca 0.41 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 1jw3 h LEU 61 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1jw3 h LEU 61 CO -0.20 0.24 -0.10 0.25 -0.34 0.00 0.00 178.44 178.29 1jw3 h LEU 62 N 0.50 0.14 -1.11 2.25 7.12 -0.68 -0.52 115.31 123.02 1jw3 h LEU 62 Ca 0.41 -0.62 0.11 0.00 0.13 0.00 0.00 57.88 57.90 1jw3 h LEU 62 Cb 0.85 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.86 1jw3 h LEU 62 CO -0.15 0.74 0.61 0.22 -0.13 0.00 0.00 178.44 179.72 1jw3 h TYR 63 N -0.45 1.05 0.00 1.25 5.03 -0.05 -0.28 116.97 123.52 1jw3 h TYR 63 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1jw3 h TYR 63 Cb 0.73 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1jw3 h TYR 63 CO 0.14 0.45 -0.52 0.22 -1.32 0.00 0.00 178.16 177.13 1jw3 h ASP 64 N 0.95 0.00 0.11 -2.11 1.82 -1.01 -3.16 116.42 113.03 1jw3 h ASP 64 Ca 0.46 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 1jw3 h ASP 64 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1jw3 h ASP 64 CO -0.22 0.09 -0.05 -0.25 -1.61 0.00 0.00 179.24 177.20 1jw3 h TRP 65 N 0.00 -0.14 -0.24 0.28 -0.00 0.65 -3.07 115.95 113.43 1jw3 h TRP 65 Ca 0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 1jw3 h TRP 65 Cb 0.75 0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.96 1jw3 h TRP 65 CO 0.00 0.35 -0.39 1.25 -0.00 0.00 0.00 178.44 179.66 1jw3 h LEU 66 N -0.80 0.75 -1.67 0.65 6.46 -1.59 -2.94 115.31 116.17 1jw3 h LEU 66 Ca -0.02 -0.53 0.25 0.00 -0.12 0.00 0.00 57.88 57.47 1jw3 h LEU 66 Cb 0.56 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 1jw3 h LEU 66 CO 0.03 1.13 0.66 -0.78 -0.62 0.00 0.00 178.44 178.86 1jw3 h ASP 67 N 0.39 0.25 -0.42 1.25 1.82 -1.67 0.89 116.42 118.94 1jw3 h ASP 67 Ca 0.02 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1jw3 h ASP 67 Cb 0.98 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1jw3 h ASP 67 CO 0.09 0.07 -0.19 -0.08 -1.61 0.00 0.00 179.24 177.52 1jw3 h GLU 68 N 0.23 0.91 -0.12 0.28 4.57 -1.41 -2.67 114.58 116.38 1jw3 h GLU 68 Ca 0.50 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1jw3 h GLU 68 Cb 1.56 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1jw3 h GLU 68 CO -0.14 1.02 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.41 1jw3 h LEU 69 N 0.80 0.20 -0.15 1.64 4.07 0.81 -2.14 115.31 120.53 1jw3 h LEU 69 Ca 0.11 -0.05 0.05 0.00 0.08 0.00 0.00 57.88 58.07 1jw3 h LEU 69 Cb 0.74 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.37 1jw3 h LEU 69 CO 0.06 0.44 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.59 1jw3 h LEU 70 N 0.19 -0.60 -0.17 1.67 3.38 -0.78 0.74 115.31 119.74 1jw3 h LEU 70 Ca 0.03 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1jw3 h LEU 70 Cb 0.51 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1jw3 h LEU 70 CO 0.04 -0.24 -0.34 -0.26 0.09 0.00 0.00 178.44 177.73 1jw3 h PHE 71 N -0.24 0.66 -0.48 1.13 0.04 -1.57 -3.16 116.94 113.33 1jw3 h PHE 71 Ca 0.11 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.65 1jw3 h PHE 71 Cb 0.39 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 1jw3 h PHE 71 CO -0.31 0.97 0.32 0.82 -0.60 0.00 0.00 178.31 179.51 1jw3 h ILE 72 N 0.17 1.09 -0.33 -0.55 2.04 -1.07 -1.98 117.51 116.87 1jw3 h ILE 72 Ca 0.01 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1jw3 h ILE 72 Cb 0.93 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1jw3 h ILE 72 CO 0.07 0.11 -0.24 -0.74 0.00 0.00 0.00 178.15 177.35 1jw3 h HIS 73 N 0.60 -0.65 -0.04 1.37 2.76 0.54 0.51 115.15 120.25 1jw3 h HIS 73 Ca 0.19 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.24 1jw3 h HIS 73 Cb 0.01 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1jw3 h HIS 73 CO -0.00 -0.32 -0.71 0.22 -1.30 0.00 0.00 177.93 175.82 1jw3 h ASP 74 N -0.21 0.24 0.39 3.26 1.82 -1.62 1.24 116.42 121.54 1jw3 h ASP 74 Ca 0.17 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1jw3 h ASP 74 Cb 0.47 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1jw3 h ASP 74 CO -0.45 0.87 0.00 0.74 -1.61 0.00 0.00 179.24 178.78 1jw3 h THR 75 N 0.13 0.00 -0.18 2.25 2.02 -0.41 -3.32 112.91 113.40 1jw3 h THR 75 Ca -0.02 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 1jw3 h THR 75 Cb 1.26 1.08 -0.14 0.00 -1.74 0.00 0.00 68.15 68.60 1jw3 h THR 75 CO 0.11 0.00 -0.38 -0.62 0.37 0.00 0.00 175.52 175.00 1jw3 n GLU 76 N -2.88 0.57 -1.55 6.66 1.02 0.17 -5.05 120.64 119.57 1jw3 n GLU 76 Ca -0.01 -1.52 -0.19 0.00 -0.02 0.00 0.00 57.16 55.42 1jw3 n GLU 76 Cb 0.15 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.37 1jw3 n GLU 76 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1jw3 n PHE 77 N 1.90 1.16 -4.79 -0.32 1.16 0.42 -4.65 117.46 112.35 1jw3 n PHE 77 Ca 0.09 0.02 -0.33 0.00 -1.87 0.00 0.00 57.45 55.36 1jw3 n PHE 77 Cb 0.63 -2.53 -0.13 0.00 -1.61 0.00 0.00 39.48 35.85 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 1jw3 s ILE 78 N 13.59 3.26 0.00 1.97 -4.36 -1.26 -4.03 121.20 130.37 1jw3 s ILE 78 Ca 0.97 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.72 1jw3 s ILE 78 Cb -0.19 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1jw3 s ILE 78 CO 0.15 0.58 0.18 0.18 0.24 0.00 0.00 174.94 176.26 1jw3 n LEU 79 N 2.53 0.00 -4.31 0.37 4.77 -1.26 -4.89 117.00 114.21 1jw3 n LEU 79 Ca -0.18 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 1jw3 n LEU 79 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1jw3 n LEU 79 CO 0.27 0.00 -0.47 0.12 -1.33 0.00 0.00 177.39 175.98 1jw3 s PHE 80 N -0.35 1.70 0.17 -1.77 5.36 -1.26 -4.51 117.98 117.32 1jw3 s PHE 80 Ca 0.00 -0.50 -0.16 0.00 -0.96 0.00 0.00 56.93 55.31 1jw3 s PHE 80 Cb 0.00 -0.85 0.03 0.00 -0.34 0.00 0.00 43.02 41.85 1jw3 s PHE 80 CO 0.00 0.28 0.46 0.45 -1.46 0.00 0.00 175.22 174.96 1jw3 s SER 81 N -2.65 -0.22 0.20 6.13 0.15 -1.26 -4.53 113.70 111.51 1jw3 s SER 81 Ca 0.14 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 1jw3 s SER 81 Cb -0.05 0.53 -0.08 0.00 -1.71 0.00 0.00 66.02 64.71 1jw3 s SER 81 CO 0.06 -0.98 0.94 -0.75 1.20 0.00 0.00 173.24 173.71 1jw3 s LYS 82 N -3.87 4.80 -0.23 5.44 2.20 -1.19 -4.90 119.74 121.99 1jw3 s LYS 82 Ca 0.08 1.47 -0.07 0.00 -0.36 0.00 0.00 55.97 57.09 1jw3 s LYS 82 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1jw3 s LYS 82 CO -0.05 0.42 0.07 -0.06 -0.36 0.00 0.00 175.35 175.37 1jw3 s PHE 83 N -0.80 3.12 -0.07 4.03 0.08 -1.26 -3.86 117.98 119.21 1jw3 s PHE 83 Ca 0.43 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1jw3 s PHE 83 Cb -0.25 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1jw3 s PHE 83 CO 0.31 -0.23 -0.06 0.21 -0.10 0.00 0.00 175.22 175.35 1jw3 s LYS 84 N 1.31 1.11 0.10 0.44 2.20 -1.07 -4.98 119.74 118.85 1jw3 s LYS 84 Ca 0.05 -0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 1jw3 s LYS 84 Cb -0.15 -1.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.99 1jw3 s LYS 84 CO 0.03 -0.15 -0.19 0.54 -0.36 0.00 0.00 175.35 175.22 1jw3 s VAL 85 N 1.28 1.58 -0.01 4.02 0.11 -1.26 0.46 120.40 126.58 1jw3 s VAL 85 Ca -0.05 -1.51 0.05 0.00 -2.93 0.00 0.00 61.98 57.54 1jw3 s VAL 85 Cb -0.14 -1.46 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1jw3 s VAL 85 CO -0.02 -0.11 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.73 1jw3 s LYS 86 N -1.92 1.30 -0.11 1.54 2.47 1.45 -4.90 119.74 119.56 1jw3 s LYS 86 Ca 0.05 -0.56 0.01 0.00 -1.56 0.00 0.00 55.97 53.91 1jw3 s LYS 86 Cb -0.10 -1.25 0.02 0.00 -1.46 0.00 0.00 37.83 35.05 1jw3 s LYS 86 CO 0.04 0.33 -0.13 0.42 0.16 0.00 0.00 175.35 176.17 1jw3 s ILE 87 N -0.35 1.39 -0.07 5.43 1.01 -1.26 0.18 121.20 127.53 1jw3 s ILE 87 Ca 0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1jw3 s ILE 87 Cb -0.06 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.13 1jw3 s ILE 87 CO -0.00 0.42 -0.03 -1.81 0.00 0.00 0.00 174.94 173.52 1jw3 s ASP 88 N 1.21 1.57 -0.37 3.58 1.01 0.24 -4.96 116.67 118.96 1jw3 s ASP 88 Ca -0.02 -0.15 -0.17 0.00 0.71 0.00 0.00 52.55 52.91 1jw3 s ASP 88 Cb -0.14 -0.54 0.00 0.00 1.01 0.00 0.00 42.92 43.25 1jw3 s ASP 88 CO -0.04 -0.14 0.46 -1.83 0.21 0.00 0.00 175.17 173.83 1jw3 s GLU 89 N 1.62 3.48 0.00 8.23 -1.05 -1.26 0.14 118.70 129.86 1jw3 s GLU 89 Ca 0.00 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1jw3 s GLU 89 Cb -0.13 -3.85 0.00 0.00 -0.44 0.00 0.00 34.13 29.72 1jw3 s GLU 89 CO -0.04 -0.67 0.00 0.36 0.95 0.00 0.00 175.26 175.86 1jw3 n LYS 90 N 5.63 2.09 0.00 -4.83 -0.00 -1.18 -4.97 118.16 114.90 1jw3 n LYS 90 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1jw3 n LYS 90 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.53 1jw3 n LYS 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jw3 n ASP 91 N -0.96 0.00 -2.06 -5.58 8.00 -1.26 -2.06 116.55 112.63 1jw3 n ASP 91 Ca 0.00 -0.40 -0.17 0.00 0.71 0.00 0.00 54.79 54.92 1jw3 n ASP 91 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1jw3 n ASP 91 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jw3 n ASP 92 N -0.54 4.06 0.00 -2.24 8.00 -1.26 -5.05 116.55 119.52 1jw3 n ASP 92 Ca 0.00 -3.43 0.00 0.00 0.71 0.00 0.00 54.79 52.07 1jw3 n ASP 92 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jw3 n GLY 93 N -0.70 1.97 3.02 0.44 0.00 -0.87 -4.58 105.19 104.46 1jw3 n GLY 93 Ca 0.35 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.18 0.03 0.99 0.05 0.47 -3.08 118.68 119.31 1jw3 s LEU 94 Ca 0.00 -0.40 0.06 0.00 0.05 0.00 0.00 54.13 53.84 1jw3 s LEU 94 Cb 0.00 -0.16 -0.02 0.00 -2.05 0.00 0.00 46.19 43.96 1jw3 s LEU 94 CO 0.00 -0.13 -0.18 -2.28 -0.55 0.00 0.00 176.35 173.21 1jw3 s HIS 95 N -1.00 1.54 -0.05 3.48 5.65 0.38 0.19 115.29 125.49 1jw3 s HIS 95 Ca -0.07 -0.34 0.06 0.00 0.25 0.00 0.00 55.06 54.96 1jw3 s HIS 95 Cb -0.07 -0.93 -0.01 0.00 -1.18 0.00 0.00 32.58 30.38 1jw3 s HIS 95 CO 0.00 0.05 -0.23 -1.17 -0.65 0.00 0.00 174.74 172.73 1jw3 s LEU 96 N -0.97 2.04 -0.15 8.88 0.20 0.50 0.83 118.68 130.00 1jw3 s LEU 96 Ca 0.05 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1jw3 s LEU 96 Cb -0.08 -1.27 0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1jw3 s LEU 96 CO 0.01 0.24 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.28 1jw3 s THR 97 N -0.20 1.52 0.10 3.68 2.01 0.48 0.73 115.64 123.96 1jw3 s THR 97 Ca -0.01 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.46 1jw3 s THR 97 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1jw3 s THR 97 CO 0.03 0.43 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.32 1jw3 s GLY 98 N 1.50 1.37 0.01 4.40 0.00 0.02 0.43 107.32 115.05 1jw3 s GLY 98 Ca 0.05 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.51 1jw3 s GLY 98 CO -0.10 -1.28 -0.16 -1.59 0.00 0.00 0.00 173.10 169.97 1jw3 s THR 99 N -1.03 1.24 -0.02 0.90 2.01 0.17 0.80 115.64 119.71 1jw3 s THR 99 Ca 0.10 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1jw3 s THR 99 Cb -0.10 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1jw3 s THR 99 CO 0.04 0.21 0.03 0.00 -0.69 0.00 0.00 174.62 174.21 1jw3 s ALA 100 N -0.59 0.04 0.11 7.40 0.00 0.85 -2.61 121.76 126.97 1jw3 s ALA 100 Ca 0.05 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1jw3 s ALA 100 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1jw3 s ALA 100 CO 0.00 -0.09 -0.12 -1.64 0.00 0.00 0.00 175.76 173.91 1jw3 s MET 101 N 0.84 0.95 0.00 0.00 -1.94 -1.25 0.13 119.30 118.02 1jw3 s MET 101 Ca -0.07 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1jw3 s MET 101 Cb -0.10 -0.74 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1jw3 s MET 101 CO -0.02 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.53 1jw3 n GLY 102 N 0.53 0.68 3.57 -0.03 0.00 -0.33 -3.20 105.19 106.41 1jw3 n GLY 102 Ca -0.16 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.18 3.78 0.00 1.61 2.12 -1.26 -4.65 118.70 120.12 1jw3 s GLU 103 Ca 0.00 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1jw3 s GLU 103 Cb 0.00 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1jw3 s GLU 103 CO 0.00 -0.30 0.00 -1.91 -0.54 0.00 0.00 175.26 172.51 1jw3 n GLU 104 N 5.12 0.00 -2.38 4.30 2.13 -1.26 -4.47 120.64 124.07 1jw3 n GLU 104 Ca -0.13 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.29 1jw3 n GLU 104 Cb 0.51 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.18 1jw3 n GLU 104 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1jw3 s ILE 105 N 0.00 3.39 0.01 6.31 2.07 -1.26 -4.78 121.20 126.95 1jw3 s ILE 105 Ca 0.00 1.31 0.04 0.00 -1.41 0.00 0.00 60.65 60.59 1jw3 s ILE 105 Cb 0.00 -3.83 -0.03 0.00 0.13 0.00 0.00 42.46 38.73 1jw3 s ILE 105 CO 0.00 0.27 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.45 1jw3 s LYS 106 N -1.03 2.42 0.21 3.50 2.47 -1.26 -5.02 119.74 121.02 1jw3 s LYS 106 Ca 0.48 -0.79 -0.12 0.00 -1.56 0.00 0.00 55.97 53.98 1jw3 s LYS 106 Cb -0.33 -2.40 0.27 0.00 -1.46 0.00 0.00 37.83 33.90 1jw3 s LYS 106 CO 0.41 0.59 1.64 0.93 0.16 0.00 0.00 175.35 179.08 1jw3 h GLU 107 N 4.61 0.05 -2.23 4.03 4.39 -2.04 -1.13 114.58 122.26 1jw3 h GLU 107 Ca -0.48 -0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.48 1jw3 h GLU 107 Cb 1.16 -0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.58 1jw3 h GLU 107 CO 0.52 0.03 1.25 0.41 -1.16 0.00 0.00 179.01 180.06 1jw3 n GLY 108 N -1.40 5.49 3.69 -3.84 0.00 -1.26 -5.01 105.19 102.86 1jw3 n GLY 108 Ca 0.08 -2.32 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1jw3 n GLY 108 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jw3 n HIS 109 N 0.38 1.45 -2.06 1.61 1.44 -0.43 -4.92 115.22 112.69 1jw3 n HIS 109 Ca 0.53 0.41 -0.42 0.00 -2.01 0.00 0.00 57.72 56.23 1jw3 n HIS 109 Cb 0.30 -2.18 -0.03 0.00 0.12 0.00 0.00 29.99 28.20 1jw3 n HIS 109 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1jw3 s GLU 110 N -3.55 4.29 -0.10 -1.40 2.56 -1.26 -5.01 118.70 114.22 1jw3 s GLU 110 Ca 0.78 2.23 -0.02 0.00 0.00 0.00 0.00 54.97 57.97 1jw3 s GLU 110 Cb -0.35 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.59 1jw3 s GLU 110 CO 0.45 -0.43 -0.03 1.03 -0.56 0.00 0.00 175.26 175.72 1jw3 s ARG 111 N 0.27 3.11 0.10 4.30 3.00 -1.26 -4.55 118.95 123.92 1jw3 s ARG 111 Ca 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 55.73 55.87 1jw3 s ARG 111 Cb -0.40 -2.76 0.00 0.00 0.00 0.00 0.00 34.95 31.78 1jw3 s ARG 111 CO 0.37 0.56 0.00 0.54 0.00 0.00 0.00 175.30 176.77 1jw3 n ARG 112 N 2.57 0.00 -4.15 3.54 1.74 -1.26 -5.09 116.66 114.01 1jw3 n ARG 112 Ca -0.18 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.73 1jw3 n ARG 112 Cb 0.53 -0.19 -0.12 0.00 -1.02 0.00 0.00 32.46 31.66 1jw3 n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jw3 s ASP 113 N -5.23 1.43 -0.59 0.55 1.11 -1.25 -5.11 116.67 107.59 1jw3 s ASP 113 Ca 0.00 -0.58 -0.24 0.00 0.18 0.00 0.00 52.55 51.91 1jw3 s ASP 113 Cb 0.00 -0.03 0.05 0.00 1.07 0.00 0.00 42.92 44.01 1jw3 s ASP 113 CO 0.00 -0.11 0.96 -1.61 1.18 0.00 0.00 175.17 175.60 1jw3 s GLU 114 N -1.65 3.27 -0.31 8.23 0.41 -1.26 -4.85 118.70 122.54 1jw3 s GLU 114 Ca -0.04 -0.40 -0.07 0.00 -0.41 0.00 0.00 54.97 54.04 1jw3 s GLU 114 Cb -0.10 -4.10 0.02 0.00 -1.78 0.00 0.00 34.13 28.17 1jw3 s GLU 114 CO 0.02 -1.60 0.10 0.54 -0.49 0.00 0.00 175.26 173.83 1jw3 s VAL 115 N 4.06 3.99 0.39 2.63 0.11 -1.26 -4.48 120.40 125.84 1jw3 s VAL 115 Ca 0.29 -0.82 0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1jw3 s VAL 115 Cb -0.13 -3.13 0.27 0.00 -1.53 0.00 0.00 36.38 31.86 1jw3 s VAL 115 CO 0.17 -0.02 2.03 0.11 -3.33 0.00 0.00 175.10 174.06 1jw3 h LYS 116 N 8.25 0.00 0.00 1.54 1.57 -0.27 -3.48 116.57 124.18 1jw3 h LYS 116 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1jw3 h LYS 116 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1jw3 h LYS 116 CO 0.61 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1jw3 n ALA 117 N -2.30 0.00 -3.86 3.86 0.00 -1.24 -4.96 120.51 112.02 1jw3 n ALA 117 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1jw3 n ALA 117 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 1jw3 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jw3 s VAL 118 N -2.28 2.58 -0.35 0.00 0.11 -1.26 0.96 120.40 120.16 1jw3 s VAL 118 Ca 0.00 -1.51 -0.01 0.00 -2.93 0.00 0.00 61.98 57.53 1jw3 s VAL 118 Cb 0.00 -2.50 0.08 0.00 -1.53 0.00 0.00 36.38 32.43 1jw3 s VAL 118 CO 0.00 -0.06 0.08 -0.89 -3.33 0.00 0.00 175.10 170.90 1jw3 s THR 119 N 1.18 2.94 -0.64 5.04 2.01 -0.88 -4.93 115.64 120.36 1jw3 s THR 119 Ca -0.07 -1.81 -0.39 0.00 0.31 0.00 0.00 61.69 59.72 1jw3 s THR 119 Cb -0.20 -2.90 -0.19 0.00 0.01 0.00 0.00 72.50 69.22 1jw3 s THR 119 CO -0.03 -0.41 2.32 2.22 -0.69 0.00 0.00 174.62 178.03 1jw3 n PHE 120 N 4.54 1.01 -0.31 4.92 -1.74 -1.25 -3.46 117.46 121.18 1jw3 n PHE 120 Ca -0.06 0.61 0.08 0.00 -0.56 0.00 0.00 57.45 57.52 1jw3 n PHE 120 Cb 0.42 -2.34 0.30 0.00 1.52 0.00 0.00 39.48 39.38 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 10.26 0.99 0.00 2.97 -0.00 -1.75 -3.43 115.15 124.18 1jw3 h HIS 121 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1jw3 h HIS 121 Cb 1.38 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1jw3 h HIS 121 CO 1.01 0.42 0.00 -1.33 -0.00 0.00 0.00 177.93 178.03 1jw3 n MET 122 N -4.56 0.00 -3.55 5.26 2.81 -1.25 -4.88 117.12 110.95 1jw3 n MET 122 Ca 0.17 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.82 1jw3 n MET 122 Cb 0.35 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.90 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 -0.33 -1.37 -4.28 0.03 2.00 0.56 -4.68 117.12 109.04 1jw3 n MET 123 Ca 0.00 0.70 -0.18 0.00 0.00 0.00 0.00 57.70 58.23 1jw3 n MET 123 Cb 0.00 -4.32 -0.14 0.00 0.00 0.00 0.00 33.22 28.76 1jw3 n MET 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1jw3 s GLU 124 N -5.21 0.69 -0.37 0.03 2.02 -1.26 -1.61 118.70 112.99 1jw3 s GLU 124 Ca 0.34 -0.47 -0.16 0.00 0.02 0.00 0.00 54.97 54.69 1jw3 s GLU 124 Cb -0.11 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.48 1jw3 s GLU 124 CO 0.84 0.17 0.42 0.96 0.02 0.00 0.00 175.26 177.66 1jw3 s ILE 125 N -0.54 5.11 -0.13 -1.63 -4.36 -1.26 -3.12 121.20 115.27 1jw3 s ILE 125 Ca 0.01 -0.06 -0.06 0.00 -0.26 0.00 0.00 60.65 60.27 1jw3 s ILE 125 Cb -0.05 -3.93 -0.04 0.00 1.25 0.00 0.00 42.46 39.69 1jw3 s ILE 125 CO 0.00 -0.24 0.08 -0.22 0.24 0.00 0.00 174.94 174.80 1jw3 s LEU 126 N 2.13 3.99 -0.25 0.37 0.20 0.21 -4.56 118.68 120.77 1jw3 s LEU 126 Ca 0.13 0.25 -0.13 0.00 0.69 0.00 0.00 54.13 55.08 1jw3 s LEU 126 Cb -0.17 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 1jw3 s LEU 126 CO 0.13 0.32 0.26 -1.81 -0.29 0.00 0.00 176.35 174.96 1jw3 s ASP 127 N -0.50 6.18 -0.16 3.68 1.01 -1.25 -0.15 116.67 125.47 1jw3 s ASP 127 Ca 0.11 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1jw3 s ASP 127 Cb -0.12 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.68 1jw3 s ASP 127 CO 0.02 -0.05 -0.13 -0.70 0.21 0.00 0.00 175.17 174.52 1jw3 s GLU 128 N 1.55 2.20 -1.98 8.23 2.12 0.28 -4.70 118.70 126.41 1jw3 s GLU 128 Ca 0.11 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1jw3 s GLU 128 Cb -0.15 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1jw3 s GLU 128 CO 0.08 -0.30 0.00 -3.47 -0.54 0.00 0.00 175.26 171.04 1jw3 n ASP 129 N 4.75 -5.52 0.00 -1.70 2.03 -1.26 -0.52 116.55 114.32 1jw3 n ASP 129 Ca -0.16 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1jw3 n ASP 129 Cb 0.49 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.19 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jw3 n GLY 130 N -0.70 0.72 3.85 0.27 0.00 -1.26 -5.05 105.19 103.02 1jw3 n GLY 130 Ca -0.21 0.00 -0.33 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 4.16 -0.14 0.99 1.43 0.32 -5.00 118.68 120.43 1jw3 s LEU 131 Ca 0.00 0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1jw3 s LEU 131 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1jw3 s LEU 131 CO 0.00 0.27 0.12 0.27 0.23 0.00 0.00 176.35 177.24 1jw3 s ILE 132 N -1.26 5.37 -0.02 -0.59 -0.00 -1.26 0.10 121.20 123.55 1jw3 s ILE 132 Ca 0.25 0.16 0.02 0.00 -0.00 0.00 0.00 60.65 61.09 1jw3 s ILE 132 Cb -0.12 -3.37 0.00 0.00 -0.00 0.00 0.00 42.46 38.96 1jw3 s ILE 132 CO 0.16 0.56 -0.07 -0.54 -0.00 0.00 0.00 174.94 175.05 1jw3 s LYS 133 N -0.54 0.68 0.09 0.37 1.02 0.78 0.13 119.74 122.27 1jw3 s LYS 133 Ca 0.12 -0.23 0.08 0.00 0.02 0.00 0.00 55.97 55.96 1jw3 s LYS 133 Cb -0.12 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 1jw3 s LYS 133 CO 0.02 0.10 -0.17 0.00 -0.92 0.00 0.00 175.35 174.39 1jw3 s ALA 134 N 0.09 2.71 -0.14 5.17 0.00 0.29 0.68 121.76 130.56 1jw3 s ALA 134 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1jw3 s ALA 134 Cb -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1jw3 s ALA 134 CO -0.00 0.59 -0.13 -0.98 0.00 0.00 0.00 175.76 175.25 1jw3 s ARG 135 N -1.91 2.11 -0.14 0.00 1.70 -1.18 0.13 118.95 119.66 1jw3 s ARG 135 Ca 0.17 -0.49 -0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1jw3 s ARG 135 Cb -0.11 -1.98 0.04 0.00 -0.57 0.00 0.00 34.95 32.33 1jw3 s ARG 135 CO 0.09 -0.24 -0.05 0.08 -1.08 0.00 0.00 175.30 174.11 1jw3 s VAL 136 N 1.52 0.95 0.15 4.99 1.01 -0.29 -0.32 120.40 128.41 1jw3 s VAL 136 Ca 0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1jw3 s VAL 136 Cb -0.13 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 1jw3 s VAL 136 CO -0.10 0.19 0.71 -0.63 0.00 0.00 0.00 175.10 175.27 1jw3 s ILE 137 N 1.71 4.51 0.09 2.22 -1.09 -1.22 0.14 121.20 127.55 1jw3 s ILE 137 Ca 0.02 1.49 0.05 0.00 -2.23 0.00 0.00 60.65 59.98 1jw3 s ILE 137 Cb -0.14 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1jw3 s ILE 137 CO -0.08 0.48 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.22 1jw3 s LEU 138 N -1.29 2.33 -0.42 2.97 2.01 0.63 -2.07 118.68 122.84 1jw3 s LEU 138 Ca 0.35 -0.69 -0.28 0.00 0.01 0.00 0.00 54.13 53.52 1jw3 s LEU 138 Cb -0.21 -0.47 0.02 0.00 0.01 0.00 0.00 46.19 45.54 1jw3 s LEU 138 CO 0.23 -0.13 1.04 -0.62 1.01 0.00 0.00 176.35 177.89 1jw3 s ASP 139 N -2.01 6.68 0.00 2.29 -1.08 0.27 0.32 116.67 123.13 1jw3 s ASP 139 Ca 0.01 0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1jw3 s ASP 139 Cb -0.08 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1jw3 s ASP 139 CO 0.02 -1.06 0.00 0.00 0.52 0.00 0.00 175.17 174.65