#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 0.00 -0.96 0.03 5.02 -1.26 -5.04 118.16 115.96 1jw3 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jw3 n LYS 2 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 1jw3 n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jw3 n GLY 3 N 2.13 0.52 2.94 0.72 0.00 -1.26 -4.98 105.19 105.25 1jw3 n GLY 3 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 -0.07 -0.12 1.61 -0.71 -1.26 -0.29 117.98 115.14 1jw3 s PHE 4 Ca 0.00 0.19 -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 41.87 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 0.08 0.24 0.05 1.99 4.04 -0.51 -4.90 118.70 119.70 1jw3 s GLU 5 Ca -0.00 0.56 0.05 0.00 0.04 0.00 0.00 54.97 55.62 1jw3 s GLU 5 Cb -0.01 -0.09 -0.04 0.00 0.02 0.00 0.00 34.13 34.01 1jw3 s GLU 5 CO -0.00 -0.16 -0.08 -0.59 -1.84 0.00 0.00 175.26 172.59 1jw3 s PHE 6 N 1.23 2.82 -0.07 4.83 -0.12 -1.26 0.17 117.98 125.58 1jw3 s PHE 6 Ca -0.09 -0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1jw3 s PHE 6 Cb -0.10 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.74 1jw3 s PHE 6 CO -0.09 0.40 -0.04 -0.59 -0.05 0.00 0.00 175.22 174.85 1jw3 s PHE 7 N -1.11 3.03 -0.46 3.49 -0.12 -0.70 -4.98 117.98 117.13 1jw3 s PHE 7 Ca 0.20 0.09 -0.28 0.00 -0.05 0.00 0.00 56.93 56.89 1jw3 s PHE 7 Cb -0.11 -1.74 0.00 0.00 -0.63 0.00 0.00 43.02 40.54 1jw3 s PHE 7 CO 0.11 0.39 1.56 -0.51 -0.05 0.00 0.00 175.22 176.73 1jw3 s ASP 8 N -0.87 6.03 0.10 1.98 1.01 -1.26 -3.89 116.67 119.77 1jw3 s ASP 8 Ca 0.13 0.73 0.04 0.00 0.71 0.00 0.00 52.55 54.16 1jw3 s ASP 8 Cb -0.11 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1jw3 s ASP 8 CO 0.02 -1.70 0.07 -0.69 0.21 0.00 0.00 175.17 173.09 1jw3 s VAL 9 N 6.42 4.40 -0.54 -1.27 1.01 -1.20 -5.07 120.40 124.15 1jw3 s VAL 9 Ca 0.64 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1jw3 s VAL 9 Cb -0.15 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.14 1jw3 s VAL 9 CO 0.29 0.07 0.80 -0.89 0.00 0.00 0.00 175.10 175.37 1jw3 s THR 10 N -1.45 4.61 0.00 3.92 2.01 -1.26 -4.01 115.64 119.45 1jw3 s THR 10 Ca 0.29 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1jw3 s THR 10 Cb -0.12 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 67.95 1jw3 s THR 10 CO 0.21 -1.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.13 1jw3 n ALA 11 N 6.88 0.00 -2.60 7.40 0.00 -1.26 -5.02 120.51 125.91 1jw3 n ALA 11 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 1jw3 n ALA 11 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 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 3.93 -0.12 0.00 -4.77 -1.26 0.19 116.67 114.65 1jw3 s ASP 12 Ca 0.00 -1.33 -0.05 0.00 -3.30 0.00 0.00 52.55 47.88 1jw3 s ASP 12 Cb 0.00 -0.41 0.06 0.00 -1.09 0.00 0.00 42.92 41.48 1jw3 s ASP 12 CO 0.00 -0.44 0.24 0.00 0.70 0.00 0.00 175.17 175.67 1jw3 s ALA 13 N -2.69 -0.48 -0.05 2.11 0.00 0.47 -3.23 121.76 117.88 1jw3 s ALA 13 Ca 0.35 0.87 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1jw3 s ALA 13 Cb 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1jw3 s ALA 13 CO 0.18 -0.57 -0.21 0.20 0.00 0.00 0.00 175.76 175.37 1jw3 s GLY 14 N 2.24 1.38 0.17 0.00 0.00 -1.22 0.15 107.32 110.04 1jw3 s GLY 14 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.75 1jw3 s GLY 14 CO -0.08 -0.69 0.13 -1.36 0.00 0.00 0.00 173.10 171.09 1jw3 s PHE 15 N -0.36 3.11 -0.05 1.90 0.40 0.39 -1.71 117.98 121.66 1jw3 s PHE 15 Ca 0.03 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1jw3 s PHE 15 Cb -0.12 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1jw3 s PHE 15 CO 0.02 0.52 -0.08 -0.46 0.70 0.00 0.00 175.22 175.92 1jw3 s TRP 16 N -1.79 2.88 -0.05 0.36 -0.00 0.46 -1.16 118.94 119.64 1jw3 s TRP 16 Ca 0.31 -0.03 0.07 0.00 -0.00 0.00 0.00 56.10 56.45 1jw3 s TRP 16 Cb -0.10 -1.67 -0.01 0.00 -0.00 0.00 0.00 33.47 31.69 1jw3 s TRP 16 CO 0.23 0.31 -0.25 0.00 -0.00 0.00 0.00 176.95 177.24 1jw3 s ALA 17 N -0.83 2.18 0.14 5.86 0.00 0.35 -1.42 121.76 128.04 1jw3 s ALA 17 Ca 0.13 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1jw3 s ALA 17 Cb -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1jw3 s ALA 17 CO 0.02 0.45 -0.08 0.71 0.00 0.00 0.00 175.76 176.87 1jw3 s TYR 18 N -0.31 2.73 0.11 0.00 2.02 0.60 0.17 117.35 122.66 1jw3 s TYR 18 Ca 0.01 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1jw3 s TYR 18 Cb -0.13 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1jw3 s TYR 18 CO 0.02 0.47 0.04 0.41 -1.57 0.00 0.00 175.55 174.92 1jw3 n GLY 19 N 0.33 3.89 0.00 0.71 0.00 0.88 -3.79 105.19 107.22 1jw3 n GLY 19 Ca -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1jw3 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jw3 n HIS 20 N -0.25 0.00 -1.96 1.61 -0.00 -1.26 -4.29 115.22 109.07 1jw3 n HIS 20 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1jw3 n HIS 20 Cb 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 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 0.00 -0.08 0.00 0.41 2.03 -1.26 -4.98 116.55 112.67 1jw3 n ASP 21 Ca 0.00 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1jw3 n ASP 21 Cb 0.25 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1jw3 n LEU 22 N -0.04 0.00 0.07 -2.67 4.77 -1.26 -4.34 117.00 113.53 1jw3 n LEU 22 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1jw3 n LEU 22 Cb 0.39 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.07 1jw3 n LEU 22 CO -0.01 0.00 1.14 -0.33 -1.33 0.00 0.00 177.39 176.86 1jw3 h GLU 23 N 0.00 0.16 -0.16 3.23 5.08 -1.95 -2.27 114.58 118.67 1jw3 h GLU 23 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1jw3 h GLU 23 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jw3 h GLU 23 CO 0.00 0.10 -0.01 0.93 -1.00 0.00 0.00 179.01 179.03 1jw3 h GLU 24 N 0.16 0.29 0.20 2.33 4.39 -1.91 -2.88 114.58 117.16 1jw3 h GLU 24 Ca 0.16 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jw3 h GLU 24 Cb 0.43 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1jw3 h GLU 24 CO -0.02 0.53 -0.09 -0.39 -1.16 0.00 0.00 179.01 177.87 1jw3 h VAL 25 N 0.02 0.86 -1.01 3.13 -1.51 -1.51 -0.58 116.25 115.66 1jw3 h VAL 25 Ca 0.04 -0.28 0.24 0.00 -1.23 0.00 0.00 66.70 65.47 1jw3 h VAL 25 Cb 0.41 1.03 -0.10 0.00 -2.13 0.00 0.00 31.29 30.50 1jw3 h VAL 25 CO 0.01 0.06 0.63 -0.26 -1.23 0.00 0.00 177.57 176.79 1jw3 h PHE 26 N -0.40 0.79 -0.35 5.19 0.04 -1.57 0.97 116.94 121.61 1jw3 h PHE 26 Ca -0.03 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1jw3 h PHE 26 Cb 0.31 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1jw3 h PHE 26 CO -0.02 0.11 -0.36 1.49 -0.60 0.00 0.00 178.31 178.93 1jw3 h GLU 27 N 0.51 0.86 0.00 1.51 4.22 -1.24 -2.96 114.58 117.48 1jw3 h GLU 27 Ca 0.58 -0.46 -0.08 0.00 0.08 0.00 0.00 59.36 59.48 1jw3 h GLU 27 Cb 1.27 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1jw3 h GLU 27 CO -0.33 1.10 -0.39 -0.97 -2.18 0.00 0.00 179.01 176.24 1jw3 h ASN 28 N 0.66 0.00 -0.40 1.04 -0.73 0.16 -3.16 115.58 113.15 1jw3 h ASN 28 Ca 0.05 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.30 1jw3 h ASN 28 Cb 0.95 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.47 1jw3 h ASN 28 CO 0.09 0.39 -0.05 0.00 -0.37 0.00 0.00 177.43 177.49 1jw3 h ALA 29 N 1.61 0.32 0.00 1.57 0.00 0.85 -0.76 119.26 122.85 1jw3 h ALA 29 Ca -0.00 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1jw3 h ALA 29 Cb 0.83 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jw3 h ALA 29 CO 0.05 -0.43 -0.51 0.00 0.00 0.00 0.00 179.25 178.37 1jw3 h ALA 30 N 1.38 0.94 -0.57 0.00 0.00 -1.64 -3.10 119.26 116.27 1jw3 h ALA 30 Ca 0.20 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1jw3 h ALA 30 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jw3 h ALA 30 CO -0.37 0.63 0.40 -0.07 0.00 0.00 0.00 179.25 179.84 1jw3 h LEU 31 N 0.00 0.13 0.20 0.00 3.38 -1.10 0.43 115.31 118.34 1jw3 h LEU 31 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jw3 h LEU 31 Cb 1.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jw3 h LEU 31 CO 0.07 0.07 -0.10 0.00 0.09 0.00 0.00 178.44 178.57 1jw3 h ALA 32 N 1.72 -0.27 -0.20 1.53 0.00 -1.42 -1.80 119.26 118.81 1jw3 h ALA 32 Ca 0.27 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1jw3 h ALA 32 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jw3 h ALA 32 CO -0.04 -0.43 -0.55 0.00 0.00 0.00 0.00 179.25 178.23 1jw3 h MET 33 N -0.71 0.73 -0.19 0.00 -0.00 -1.56 -3.21 114.93 109.99 1jw3 h MET 33 Ca -0.03 -0.51 -0.08 0.00 -0.00 0.00 0.00 59.70 59.08 1jw3 h MET 33 Cb 0.49 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.16 1jw3 h MET 33 CO 0.05 1.13 -0.24 0.27 -0.00 0.00 0.00 176.91 178.12 1jw3 h PHE 34 N 0.44 0.37 -0.05 -0.10 -0.00 -0.28 1.01 116.94 118.34 1jw3 h PHE 34 Ca -0.01 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.97 57.83 1jw3 h PHE 34 Cb 1.17 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 37.01 1jw3 h PHE 34 CO 0.09 0.56 -0.25 0.93 -0.00 0.00 0.00 178.31 179.63 1jw3 h GLU 35 N 0.30 0.09 0.00 6.09 4.39 -1.34 -3.05 114.58 121.06 1jw3 h GLU 35 Ca 0.05 -0.03 -0.38 0.00 0.34 0.00 0.00 59.36 59.34 1jw3 h GLU 35 Cb 0.59 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1jw3 h GLU 35 CO 0.04 0.34 -2.43 1.33 -1.16 0.00 0.00 179.01 177.13 1jw3 n VAL 36 N -4.20 1.46 0.24 3.13 0.24 -1.02 -4.32 118.33 113.86 1jw3 n VAL 36 Ca -0.02 -0.67 0.18 0.00 -2.04 0.00 0.00 64.34 61.79 1jw3 n VAL 36 Cb 0.33 -1.11 0.83 0.00 -1.47 0.00 0.00 33.84 32.43 1jw3 n VAL 36 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1jw3 h MET 37 N 0.00 0.00 0.00 7.34 2.86 0.11 -2.14 114.93 123.10 1jw3 h MET 37 Ca -0.56 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1jw3 h MET 37 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 1jw3 h MET 37 CO -0.05 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.17 1jw3 n THR 38 N -3.33 0.00 -3.21 2.22 -2.24 -1.16 -4.65 114.28 101.91 1jw3 n THR 38 Ca 0.01 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 1jw3 n THR 38 Cb 0.41 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1jw3 n THR 38 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jw3 s ASP 39 N 0.00 6.85 0.49 3.42 2.15 -1.06 -4.45 116.67 124.07 1jw3 s ASP 39 Ca 0.00 -2.71 0.29 0.00 0.43 0.00 0.00 52.55 50.55 1jw3 s ASP 39 Cb 0.00 -2.27 1.06 0.00 -0.30 0.00 0.00 42.92 41.41 1jw3 s ASP 39 CO 0.00 -0.65 1.87 0.71 -0.17 0.00 0.00 175.17 176.93 1jw3 h THR 40 N 4.83 0.22 -0.11 1.71 1.35 -1.83 -3.41 112.91 115.68 1jw3 h THR 40 Ca 0.15 -0.83 -0.27 0.00 -0.55 0.00 0.00 66.41 64.92 1jw3 h THR 40 Cb 1.00 1.68 0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1jw3 h THR 40 CO 0.91 0.09 0.72 -1.20 -0.25 0.00 0.00 175.52 175.79 1jw3 n SER 41 N -3.21 1.58 0.00 5.36 7.64 -1.26 -1.82 113.62 121.91 1jw3 n SER 41 Ca 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.35 1jw3 n SER 41 Cb 0.38 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1jw3 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jw3 n LEU 42 N 15.19 0.00 -4.35 -3.43 -0.00 -1.26 -5.15 117.00 118.00 1jw3 n LEU 42 Ca 0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 56.13 1jw3 n LEU 42 Cb 0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.72 1jw3 n LEU 42 CO 0.81 0.00 -0.50 -0.69 -0.00 0.00 0.00 177.39 177.01 1jw3 s VAL 43 N 0.00 2.61 0.00 1.47 1.01 -0.76 -5.08 120.40 119.66 1jw3 s VAL 43 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1jw3 s VAL 43 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1jw3 s VAL 43 CO 0.00 0.56 0.02 -0.62 0.00 0.00 0.00 175.10 175.06 1jw3 n GLU 44 N 2.95 0.00 0.00 2.72 4.71 -1.26 -4.97 120.64 124.79 1jw3 n GLU 44 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1jw3 n GLU 44 Cb 0.52 -0.44 0.00 0.00 -1.01 0.00 0.00 31.44 30.51 1jw3 n GLU 44 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jw3 n ALA 45 N -0.92 0.00 0.82 0.62 0.00 -1.26 -4.72 120.51 115.05 1jw3 n ALA 45 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1jw3 n ALA 45 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 2.95 -2.95 0.00 0.00 -1.26 -4.74 120.51 114.51 1jw3 n ALA 46 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1jw3 n ALA 46 Cb 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1jw3 n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jw3 s GLU 47 N -1.90 1.40 -0.03 0.00 2.56 -1.26 -4.66 118.70 114.80 1jw3 s GLU 47 Ca 0.18 -1.26 -0.04 0.00 0.00 0.00 0.00 54.97 53.86 1jw3 s GLU 47 Cb 0.15 0.43 0.01 0.00 2.00 0.00 0.00 34.13 36.72 1jw3 s GLU 47 CO 0.37 -0.55 0.11 -2.00 -0.56 0.00 0.00 175.26 172.62 1jw3 s GLU 48 N -4.01 0.17 -0.01 4.30 2.12 -1.25 -1.26 118.70 118.74 1jw3 s GLU 48 Ca 0.22 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.61 1jw3 s GLU 48 Cb 0.01 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1jw3 s GLU 48 CO 0.06 -0.03 0.04 1.03 -0.54 0.00 0.00 175.26 175.83 1jw3 s ARG 49 N -0.13 0.11 0.02 4.30 1.81 0.60 -4.94 118.95 120.71 1jw3 s ARG 49 Ca -0.02 -0.04 0.08 0.00 -1.72 0.00 0.00 55.73 54.03 1jw3 s ARG 49 Cb -0.02 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1jw3 s ARG 49 CO 0.00 -0.02 -0.24 1.03 -0.68 0.00 0.00 175.30 175.39 1jw3 s ARG 50 N -0.24 1.98 0.02 3.54 0.52 -1.26 0.84 118.95 124.34 1jw3 s ARG 50 Ca -0.03 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.21 1jw3 s ARG 50 Cb -0.02 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1jw3 s ARG 50 CO 0.00 0.54 -0.11 0.08 0.02 0.00 0.00 175.30 175.83 1jw3 s VAL 51 N -0.76 0.85 -0.02 3.52 1.01 0.32 -4.98 120.40 120.34 1jw3 s VAL 51 Ca 0.12 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1jw3 s VAL 51 Cb -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1jw3 s VAL 51 CO 0.02 0.04 -0.18 -1.83 0.00 0.00 0.00 175.10 173.14 1jw3 s GLU 52 N -0.78 1.54 0.03 2.72 4.04 -1.26 -0.13 118.70 124.87 1jw3 s GLU 52 Ca 0.01 -0.66 -0.00 0.00 0.04 0.00 0.00 54.97 54.36 1jw3 s GLU 52 Cb -0.06 -1.47 -0.02 0.00 0.02 0.00 0.00 34.13 32.59 1jw3 s GLU 52 CO 0.00 0.38 -0.03 0.42 -1.84 0.00 0.00 175.26 174.19 1jw3 s ILE 53 N -0.37 0.16 -0.21 1.83 1.01 0.35 -4.95 121.20 119.02 1jw3 s ILE 53 Ca 0.06 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1jw3 s ILE 53 Cb -0.08 -0.53 0.04 0.00 0.01 0.00 0.00 42.46 41.91 1jw3 s ILE 53 CO -0.00 -0.59 -0.13 -0.89 0.00 0.00 0.00 174.94 173.33 1jw3 s THR 54 N -1.93 1.89 0.32 2.92 2.01 -1.26 0.15 115.64 119.74 1jw3 s THR 54 Ca -0.11 -1.18 0.10 0.00 0.31 0.00 0.00 61.69 60.81 1jw3 s THR 54 Cb -0.07 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 1jw3 s THR 54 CO -0.03 0.19 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.43 1jw3 s SER 55 N 1.29 3.57 0.00 3.53 0.15 0.69 -4.84 113.70 118.08 1jw3 s SER 55 Ca -0.02 -1.16 0.24 0.00 0.70 0.00 0.00 55.95 55.71 1jw3 s SER 55 Cb -0.17 -0.31 0.39 0.00 -1.71 0.00 0.00 66.02 64.22 1jw3 s SER 55 CO -0.08 -0.17 1.16 -0.62 1.20 0.00 0.00 173.24 174.72 1jw3 n GLU 56 N -0.73 0.00 -0.44 5.44 1.02 -1.26 0.11 120.64 124.79 1jw3 n GLU 56 Ca -0.05 -1.92 -0.01 0.00 -0.02 0.00 0.00 57.16 55.16 1jw3 n GLU 56 Cb 0.63 0.04 -0.01 0.00 -0.02 0.00 0.00 31.44 32.07 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 0.46 -0.15 0.00 1.62 2.03 -1.26 -4.95 116.55 114.30 1jw3 n ASP 57 Ca 0.03 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1jw3 n ASP 57 Cb 1.11 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1jw3 n ASP 57 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jw3 n ARG 58 N 0.00 0.00 -0.30 -0.67 1.74 -1.26 -4.02 116.66 112.15 1jw3 n ARG 58 Ca -0.04 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.09 1jw3 n ARG 58 Cb 0.27 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.91 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1jw3 h VAL 59 N 0.00 0.85 -0.99 1.55 -1.51 -1.96 -1.17 116.25 113.01 1jw3 h VAL 59 Ca 0.00 -0.26 0.09 0.00 -1.23 0.00 0.00 66.70 65.30 1jw3 h VAL 59 Cb 0.00 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 29.11 1jw3 h VAL 59 CO 0.00 0.14 0.63 0.28 -1.23 0.00 0.00 177.57 177.39 1jw3 h SER 60 N 0.76 0.98 -0.09 4.19 0.02 -1.91 -2.03 113.55 115.46 1jw3 h SER 60 Ca 0.44 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.45 1jw3 h SER 60 Cb 0.49 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1jw3 h SER 60 CO -0.29 0.59 -0.20 0.25 -1.14 0.00 0.00 176.83 176.03 1jw3 h LEU 61 N 1.09 -0.62 -0.90 5.07 7.12 -1.53 -0.67 115.31 124.88 1jw3 h LEU 61 Ca 0.45 0.10 0.15 0.00 0.13 0.00 0.00 57.88 58.71 1jw3 h LEU 61 Cb 0.29 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 40.60 1jw3 h LEU 61 CO -0.21 -0.26 0.50 0.25 -0.13 0.00 0.00 178.44 178.59 1jw3 h LEU 62 N -0.28 0.64 -1.49 2.25 7.12 -1.34 1.36 115.31 123.58 1jw3 h LEU 62 Ca 0.09 0.08 0.11 0.00 0.13 0.00 0.00 57.88 58.29 1jw3 h LEU 62 Cb 0.40 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.45 1jw3 h LEU 62 CO -0.25 0.28 0.48 0.22 -0.13 0.00 0.00 178.44 179.04 1jw3 h TYR 63 N 0.71 0.60 0.00 1.25 3.20 -0.61 -2.17 116.97 119.95 1jw3 h TYR 63 Ca 0.48 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 62.15 1jw3 h TYR 63 Cb 0.65 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1jw3 h TYR 63 CO -0.06 0.27 -2.03 -3.47 -1.64 0.00 0.00 178.16 171.23 1jw3 n ASP 64 N -4.49 0.24 0.17 -2.11 -0.08 0.42 -3.68 116.55 107.02 1jw3 n ASP 64 Ca 0.13 0.11 -0.14 0.00 -1.51 0.00 0.00 54.79 53.37 1jw3 n ASP 64 Cb 0.39 1.03 -0.07 0.00 2.34 0.00 0.00 41.12 44.81 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 -0.41 -0.14 -0.67 2.91 0.23 -1.01 115.95 116.86 1jw3 h TRP 65 Ca -0.30 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.62 1jw3 h TRP 65 Cb 1.75 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 30.54 1jw3 h TRP 65 CO 0.00 -0.25 -0.28 1.25 -1.03 0.00 0.00 178.44 178.13 1jw3 h LEU 66 N -0.40 0.49 -1.68 0.65 6.46 -1.64 -2.95 115.31 116.24 1jw3 h LEU 66 Ca -0.02 -0.56 0.23 0.00 -0.12 0.00 0.00 57.88 57.41 1jw3 h LEU 66 Cb 0.33 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 1jw3 h LEU 66 CO 0.02 0.96 0.62 -0.78 -0.62 0.00 0.00 178.44 178.64 1jw3 h ASP 67 N 0.04 0.26 -0.31 1.25 3.58 -1.62 0.91 116.42 120.53 1jw3 h ASP 67 Ca 0.00 0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 1jw3 h ASP 67 Cb 0.88 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1jw3 h ASP 67 CO 0.06 0.09 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.23 1jw3 h GLU 68 N 0.25 0.79 -0.07 0.28 4.22 -1.02 -2.70 114.58 116.33 1jw3 h GLU 68 Ca 0.47 -0.31 -0.12 0.00 0.08 0.00 0.00 59.36 59.48 1jw3 h GLU 68 Cb 1.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1jw3 h GLU 68 CO -0.13 0.92 -0.48 1.25 -2.18 0.00 0.00 179.01 178.40 1jw3 h LEU 69 N 0.69 0.20 0.00 1.64 6.46 0.89 -2.63 115.31 122.56 1jw3 h LEU 69 Ca 0.10 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1jw3 h LEU 69 Cb 0.71 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1jw3 h LEU 69 CO 0.05 0.65 -0.07 0.25 -0.62 0.00 0.00 178.44 178.71 1jw3 h LEU 70 N 0.15 -0.20 0.10 2.25 7.12 -0.56 -0.91 115.31 123.25 1jw3 h LEU 70 Ca 0.01 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 1jw3 h LEU 70 Cb 0.91 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1jw3 h LEU 70 CO 0.07 -0.10 -0.05 0.15 -0.13 0.00 0.00 178.44 178.38 1jw3 h PHE 71 N -0.12 -0.12 -0.79 1.25 3.04 -1.54 -3.24 116.94 115.41 1jw3 h PHE 71 Ca 0.03 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.13 1jw3 h PHE 71 Cb 0.15 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1jw3 h PHE 71 CO -0.14 0.36 0.53 0.97 -2.02 0.00 0.00 178.31 178.01 1jw3 h ILE 72 N -0.69 0.78 -0.34 1.41 6.09 -1.49 -2.01 117.51 121.26 1jw3 h ILE 72 Ca -0.01 -0.15 0.07 0.00 -1.37 0.00 0.00 64.86 63.40 1jw3 h ILE 72 Cb 0.54 0.31 -0.08 0.00 0.47 0.00 0.00 36.82 38.05 1jw3 h ILE 72 CO 0.02 0.08 -0.24 -0.74 -3.07 0.00 0.00 178.15 174.20 1jw3 h HIS 73 N 0.43 -0.63 0.00 2.19 2.76 -1.18 0.45 115.15 119.17 1jw3 h HIS 73 Ca 0.39 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.48 1jw3 h HIS 73 Cb 0.89 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 1jw3 h HIS 73 CO -0.00 -0.31 -0.62 0.22 -1.30 0.00 0.00 177.93 175.92 1jw3 h ASP 74 N -0.20 0.00 0.32 3.26 3.58 -1.54 1.19 116.42 123.04 1jw3 h ASP 74 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1jw3 h ASP 74 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1jw3 h ASP 74 CO -0.45 0.62 0.00 0.74 -2.88 0.00 0.00 179.24 177.26 1jw3 h THR 75 N 0.00 0.00 0.00 2.25 2.02 -0.37 -3.32 112.91 113.48 1jw3 h THR 75 Ca -0.01 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1jw3 h THR 75 Cb 1.14 0.95 -0.13 0.00 -1.74 0.00 0.00 68.15 68.36 1jw3 h THR 75 CO 0.08 0.00 -0.22 -0.62 0.37 0.00 0.00 175.52 175.13 1jw3 n GLU 76 N -2.71 0.51 -1.54 6.66 1.02 -0.03 -5.06 120.64 119.48 1jw3 n GLU 76 Ca -0.01 -1.25 -0.25 0.00 -0.02 0.00 0.00 57.16 55.63 1jw3 n GLU 76 Cb 0.13 -0.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 1jw3 n GLU 76 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jw3 n PHE 77 N 1.03 1.04 -4.50 -0.32 -0.00 0.41 -4.80 117.46 110.32 1jw3 n PHE 77 Ca 0.03 0.07 -0.32 0.00 -0.00 0.00 0.00 57.45 57.23 1jw3 n PHE 77 Cb 0.70 -2.33 -0.11 0.00 -0.00 0.00 0.00 39.48 37.74 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 1jw3 s ILE 78 N 11.44 3.50 0.14 -2.13 -4.36 -1.26 -4.31 121.20 124.23 1jw3 s ILE 78 Ca 1.04 -0.83 -0.16 0.00 -0.26 0.00 0.00 60.65 60.44 1jw3 s ILE 78 Cb -0.36 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1jw3 s ILE 78 CO 0.25 0.39 1.71 -0.07 0.24 0.00 0.00 174.94 177.46 1jw3 h LEU 79 N 4.55 0.55 -8.76 0.37 3.38 -1.87 -3.44 115.31 110.09 1jw3 h LEU 79 Ca -0.48 -0.14 -0.69 0.00 0.09 0.00 0.00 57.88 56.65 1jw3 h LEU 79 Cb 1.17 -0.14 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 1jw3 h LEU 79 CO 0.53 0.53 -0.88 0.12 0.09 0.00 0.00 178.44 178.83 1jw3 s PHE 80 N -5.66 2.33 -0.21 1.13 2.19 -1.26 -3.68 117.98 112.82 1jw3 s PHE 80 Ca -0.13 -0.40 -0.12 0.00 0.33 0.00 0.00 56.93 56.61 1jw3 s PHE 80 Cb 0.10 -1.39 0.06 0.00 -1.31 0.00 0.00 43.02 40.49 1jw3 s PHE 80 CO 0.75 0.15 0.50 0.45 1.83 0.00 0.00 175.22 178.90 1jw3 s SER 81 N -1.31 -0.65 0.24 6.13 0.15 -1.26 -4.49 113.70 112.50 1jw3 s SER 81 Ca 0.12 1.10 -0.09 0.00 0.70 0.00 0.00 55.95 57.78 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 0.02 -0.21 0.55 -0.75 1.20 0.00 0.00 173.24 174.06 1jw3 s LYS 82 N 1.42 3.78 -0.14 5.44 2.47 -0.49 -4.90 119.74 127.32 1jw3 s LYS 82 Ca -0.09 0.24 0.01 0.00 -1.56 0.00 0.00 55.97 54.57 1jw3 s LYS 82 Cb -0.07 -2.65 0.02 0.00 -1.46 0.00 0.00 37.83 33.67 1jw3 s LYS 82 CO -0.14 0.30 -0.16 -0.06 0.16 0.00 0.00 175.35 175.45 1jw3 s PHE 83 N -1.85 2.23 -0.14 4.03 0.08 -1.26 -3.57 117.98 117.49 1jw3 s PHE 83 Ca 0.47 -1.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.32 1jw3 s PHE 83 Cb -0.11 -1.60 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1jw3 s PHE 83 CO 0.22 -0.61 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.13 1jw3 s LYS 84 N 1.21 0.97 0.08 0.44 -2.85 -0.69 -4.96 119.74 113.95 1jw3 s LYS 84 Ca -0.01 -0.30 0.05 0.00 -1.00 0.00 0.00 55.97 54.72 1jw3 s LYS 84 Cb -0.14 -1.73 -0.04 0.00 -2.06 0.00 0.00 37.83 33.87 1jw3 s LYS 84 CO -0.07 -0.45 -0.04 0.14 0.10 0.00 0.00 175.35 175.03 1jw3 s VAL 85 N 1.80 3.75 -0.01 1.79 -7.23 -1.26 0.12 120.40 119.36 1jw3 s VAL 85 Ca 0.02 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1jw3 s VAL 85 Cb -0.15 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1jw3 s VAL 85 CO -0.07 0.17 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.01 1jw3 s LYS 86 N -2.11 1.03 -0.12 4.82 2.47 1.37 -4.90 119.74 122.30 1jw3 s LYS 86 Ca 0.23 -0.44 0.02 0.00 -1.56 0.00 0.00 55.97 54.21 1jw3 s LYS 86 Cb -0.11 -0.99 0.02 0.00 -1.46 0.00 0.00 37.83 35.28 1jw3 s LYS 86 CO 0.15 0.26 -0.16 0.42 0.16 0.00 0.00 175.35 176.17 1jw3 s ILE 87 N -0.25 1.63 -0.07 5.43 1.01 -1.26 0.22 121.20 127.90 1jw3 s ILE 87 Ca 0.04 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1jw3 s ILE 87 Cb -0.05 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1jw3 s ILE 87 CO -0.00 0.47 -0.03 -0.62 0.00 0.00 0.00 174.94 174.75 1jw3 s ASP 88 N 1.07 1.59 -0.36 3.58 2.15 0.45 -4.98 116.67 120.17 1jw3 s ASP 88 Ca -0.04 -0.16 -0.15 0.00 0.43 0.00 0.00 52.55 52.63 1jw3 s ASP 88 Cb -0.15 -0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 41.91 1jw3 s ASP 88 CO -0.04 -0.13 0.34 -1.61 -0.17 0.00 0.00 175.17 173.56 1jw3 s GLU 89 N 1.59 3.43 0.00 4.34 2.02 -1.26 0.14 118.70 128.95 1jw3 s GLU 89 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1jw3 s GLU 89 Cb -0.13 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.26 1jw3 s GLU 89 CO -0.04 -0.57 0.00 0.36 0.02 0.00 0.00 175.26 175.03 1jw3 n LYS 90 N 5.32 2.05 0.00 1.61 -0.00 -1.19 -4.97 118.16 120.98 1jw3 n LYS 90 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1jw3 n LYS 90 Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.54 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 -1.01 0.00 -2.03 -5.58 2.03 -1.26 -2.11 116.55 106.60 1jw3 n ASP 91 Ca 0.00 -0.39 -0.22 0.00 0.52 0.00 0.00 54.79 54.70 1jw3 n ASP 91 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1jw3 n ASP 91 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jw3 n ASP 92 N -0.56 4.64 0.00 1.67 -0.08 -1.26 -5.05 116.55 115.91 1jw3 n ASP 92 Ca 0.01 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 49.64 1jw3 n ASP 92 Cb 0.00 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jw3 n GLY 93 N -0.71 1.84 2.96 0.27 0.00 -0.90 -4.71 105.19 103.94 1jw3 n GLY 93 Ca 0.41 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 2.04 0.03 0.99 0.05 0.31 -3.17 118.68 118.92 1jw3 s LEU 94 Ca 0.00 -0.14 0.06 0.00 0.05 0.00 0.00 54.13 54.10 1jw3 s LEU 94 Cb 0.00 -0.23 -0.02 0.00 -2.05 0.00 0.00 46.19 43.89 1jw3 s LEU 94 CO 0.00 0.02 -0.17 -2.28 -0.55 0.00 0.00 176.35 173.38 1jw3 s HIS 95 N -0.26 1.48 -0.03 3.48 5.65 0.38 0.25 115.29 126.23 1jw3 s HIS 95 Ca 0.00 -0.34 0.07 0.00 0.25 0.00 0.00 55.06 55.04 1jw3 s HIS 95 Cb -0.03 -0.90 -0.02 0.00 -1.18 0.00 0.00 32.58 30.46 1jw3 s HIS 95 CO -0.00 0.04 -0.24 -1.17 -0.65 0.00 0.00 174.74 172.72 1jw3 s LEU 96 N -0.94 2.04 -0.15 8.88 0.20 0.39 0.17 118.68 129.26 1jw3 s LEU 96 Ca 0.05 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.42 1jw3 s LEU 96 Cb -0.08 -1.26 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1jw3 s LEU 96 CO 0.01 0.27 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.31 1jw3 s THR 97 N -0.42 1.61 0.10 3.68 2.01 0.60 0.13 115.64 123.35 1jw3 s THR 97 Ca 0.05 -0.67 0.10 0.00 0.31 0.00 0.00 61.69 61.47 1jw3 s THR 97 Cb -0.11 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1jw3 s THR 97 CO 0.00 0.45 -0.25 -0.83 -0.69 0.00 0.00 174.62 173.30 1jw3 s GLY 98 N 1.47 1.45 0.02 4.40 0.00 0.82 0.41 107.32 115.89 1jw3 s GLY 98 Ca 0.05 -1.36 0.07 0.00 0.00 0.00 0.00 44.72 43.48 1jw3 s GLY 98 CO -0.11 -1.32 -0.21 -1.59 0.00 0.00 0.00 173.10 169.87 1jw3 s THR 99 N -1.00 1.71 -0.03 0.90 2.01 0.32 0.12 115.64 119.66 1jw3 s THR 99 Ca 0.12 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1jw3 s THR 99 Cb -0.10 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1jw3 s THR 99 CO 0.05 0.33 -0.05 0.00 -0.69 0.00 0.00 174.62 174.25 1jw3 s ALA 100 N -0.67 0.66 0.12 7.40 0.00 0.25 -1.70 121.76 127.81 1jw3 s ALA 100 Ca 0.08 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1jw3 s ALA 100 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1jw3 s ALA 100 CO 0.01 0.05 -0.13 0.00 0.00 0.00 0.00 175.76 175.69 1jw3 s MET 101 N 0.58 0.97 0.00 0.00 0.23 -1.23 0.22 119.30 120.07 1jw3 s MET 101 Ca -0.08 -1.22 0.00 0.00 -1.03 0.00 0.00 55.69 53.36 1jw3 s MET 101 Cb -0.11 -0.79 0.00 0.00 -1.53 0.00 0.00 34.83 32.40 1jw3 s MET 101 CO 0.00 0.14 0.00 0.41 -2.03 0.00 0.00 175.02 173.55 1jw3 n GLY 102 N 0.52 0.78 3.56 3.16 0.00 -0.39 -1.40 105.19 111.42 1jw3 n GLY 102 Ca -0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.51 3.65 0.00 1.61 2.12 -1.26 -4.41 118.70 118.90 1jw3 s GLU 103 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1jw3 s GLU 103 Cb 0.00 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1jw3 s GLU 103 CO 0.00 -0.56 0.00 -1.91 -0.54 0.00 0.00 175.26 172.25 1jw3 n GLU 104 N 5.58 0.00 -3.04 4.30 2.13 -1.26 -4.59 120.64 123.76 1jw3 n GLU 104 Ca -0.06 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.36 1jw3 n GLU 104 Cb 0.49 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.15 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 5.02 0.32 6.31 1.10 -1.26 -4.00 121.20 128.69 1jw3 s ILE 105 Ca 0.00 1.41 -0.03 0.00 -0.51 0.00 0.00 60.65 61.52 1jw3 s ILE 105 Cb 0.00 -4.03 -0.04 0.00 0.15 0.00 0.00 42.46 38.54 1jw3 s ILE 105 CO 0.00 0.19 0.56 -0.75 -2.11 0.00 0.00 174.94 172.83 1jw3 s LYS 106 N 1.24 3.56 0.08 3.50 2.20 -1.26 -4.98 119.74 124.08 1jw3 s LYS 106 Ca 0.36 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1jw3 s LYS 106 Cb -0.17 -2.64 -0.16 0.00 -1.51 0.00 0.00 37.83 33.34 1jw3 s LYS 106 CO 0.15 0.16 1.65 1.49 -0.36 0.00 0.00 175.35 178.45 1jw3 h GLU 107 N 1.22 -0.63 -2.46 4.03 4.81 -2.02 -3.08 114.58 116.45 1jw3 h GLU 107 Ca -0.48 0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.12 1jw3 h GLU 107 Cb 1.20 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.59 1jw3 h GLU 107 CO 0.64 -0.42 1.89 0.41 -0.73 0.00 0.00 179.01 180.80 1jw3 n GLY 108 N -1.39 4.97 3.57 1.92 0.00 -1.26 -4.96 105.19 108.05 1jw3 n GLY 108 Ca -0.11 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 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 1.53 1.76 -1.67 1.61 1.44 -1.17 -4.88 115.22 113.84 1jw3 n HIS 109 Ca 0.59 -0.02 -0.44 0.00 -2.01 0.00 0.00 57.72 55.84 1jw3 n HIS 109 Cb 0.33 -2.69 -0.04 0.00 0.12 0.00 0.00 29.99 27.72 1jw3 n HIS 109 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1jw3 n GLU 110 N 8.82 2.65 -4.41 -1.40 1.02 -1.26 -4.97 120.64 121.09 1jw3 n GLU 110 Ca 0.33 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 58.10 1jw3 n GLU 110 Cb 0.46 -2.88 -0.12 0.00 -0.02 0.00 0.00 31.44 28.89 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1jw3 s ARG 111 N 3.89 3.50 0.00 3.49 1.81 -1.26 -2.57 118.95 127.81 1jw3 s ARG 111 Ca 0.88 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1jw3 s ARG 111 Cb -0.52 -2.87 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 1jw3 s ARG 111 CO 0.43 0.35 0.00 0.54 -0.68 0.00 0.00 175.30 175.94 1jw3 n ARG 112 N 3.22 0.00 -4.02 3.54 3.00 -0.83 -4.99 116.66 116.58 1jw3 n ARG 112 Ca -0.18 0.09 -0.22 0.00 -0.01 0.00 0.00 57.85 57.54 1jw3 n ARG 112 Cb 0.53 -0.43 -0.03 0.00 0.00 0.00 0.00 32.46 32.52 1jw3 n ARG 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jw3 s ASP 113 N -1.96 6.05 -0.28 0.55 2.15 -1.06 -5.06 116.67 117.06 1jw3 s ASP 113 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1jw3 s ASP 113 Cb 0.00 -1.71 0.05 0.00 -0.30 0.00 0.00 42.92 40.96 1jw3 s ASP 113 CO 0.00 -0.04 -0.05 -0.70 -0.17 0.00 0.00 175.17 174.21 1jw3 s GLU 114 N -3.80 2.43 -0.30 4.34 2.12 -1.26 -4.69 118.70 117.54 1jw3 s GLU 114 Ca 0.34 -1.25 -0.05 0.00 0.36 0.00 0.00 54.97 54.37 1jw3 s GLU 114 Cb -0.09 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1jw3 s GLU 114 CO 0.27 -0.56 0.05 0.54 -0.54 0.00 0.00 175.26 175.02 1jw3 s VAL 115 N 1.21 3.53 0.47 3.70 0.11 -1.15 -4.67 120.40 123.60 1jw3 s VAL 115 Ca -0.06 -1.03 0.30 0.00 -2.93 0.00 0.00 61.98 58.26 1jw3 s VAL 115 Cb -0.19 -2.92 0.33 0.00 -1.53 0.00 0.00 36.38 32.07 1jw3 s VAL 115 CO -0.03 -0.03 2.15 0.07 -3.33 0.00 0.00 175.10 173.93 1jw3 h LYS 116 N 8.15 0.00 -1.49 1.54 2.10 0.51 -3.47 116.57 123.92 1jw3 h LYS 116 Ca -0.27 0.00 0.32 0.00 -2.00 0.00 0.00 60.65 58.70 1jw3 h LYS 116 Cb 1.10 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.31 1jw3 h LYS 116 CO 0.58 0.07 0.82 0.00 -2.00 0.00 0.00 179.45 178.92 1jw3 s ALA 117 N -4.26 -2.22 -0.29 0.07 0.00 -0.85 -5.03 121.76 109.19 1jw3 s ALA 117 Ca -0.03 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1jw3 s ALA 117 Cb 0.13 0.38 0.06 0.00 0.00 0.00 0.00 23.12 23.69 1jw3 s ALA 117 CO 0.55 -1.06 -0.05 0.54 0.00 0.00 0.00 175.76 175.75 1jw3 s VAL 118 N -2.45 2.51 -0.12 0.00 0.11 -1.26 -0.17 120.40 119.02 1jw3 s VAL 118 Ca 0.14 -1.62 0.01 0.00 -2.93 0.00 0.00 61.98 57.58 1jw3 s VAL 118 Cb 0.05 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.38 1jw3 s VAL 118 CO -0.04 -0.12 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.57 1jw3 s THR 119 N 1.14 2.88 -0.27 5.04 2.01 -1.26 -4.96 115.64 120.22 1jw3 s THR 119 Ca -0.06 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1jw3 s THR 119 Cb -0.20 -2.19 -0.09 0.00 0.01 0.00 0.00 72.50 70.03 1jw3 s THR 119 CO -0.04 0.53 0.75 2.22 -0.69 0.00 0.00 174.62 177.40 1jw3 n PHE 120 N 3.44 0.00 0.01 4.92 -1.74 -1.26 -4.67 117.46 118.16 1jw3 n PHE 120 Ca -0.18 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.53 1jw3 n PHE 120 Cb 0.53 -0.22 -0.12 0.00 1.52 0.00 0.00 39.48 41.18 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.12 -0.56 0.00 0.00 176.76 177.32 1jw3 h HIS 121 N 4.53 0.52 0.00 2.97 2.07 -1.92 -3.48 115.15 119.84 1jw3 h HIS 121 Ca 0.01 -0.31 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1jw3 h HIS 121 Cb 0.48 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1jw3 h HIS 121 CO 0.66 1.16 0.00 -1.33 -3.07 0.00 0.00 177.93 175.35 1jw3 n MET 122 N -4.24 0.00 -3.85 5.12 2.81 -1.26 -4.83 117.12 110.86 1jw3 n MET 122 Ca -0.11 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.43 1jw3 n MET 122 Cb 0.69 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.22 1jw3 n MET 122 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1jw3 n MET 123 N 0.00 -0.87 -3.89 0.03 0.00 0.14 -4.91 117.12 107.63 1jw3 n MET 123 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 57.70 58.01 1jw3 n MET 123 Cb 0.00 -3.02 -0.12 0.00 0.00 0.00 0.00 33.22 30.08 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 -6.20 0.17 -0.37 2.12 2.02 -1.25 -2.99 118.70 112.19 1jw3 s GLU 124 Ca 0.34 -0.14 -0.16 0.00 0.02 0.00 0.00 54.97 55.02 1jw3 s GLU 124 Cb -0.16 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1jw3 s GLU 124 CO 0.91 -0.03 0.41 0.96 0.02 0.00 0.00 175.26 177.54 1jw3 s ILE 125 N -0.49 5.12 -0.13 -1.63 -4.36 -1.26 -3.06 121.20 115.39 1jw3 s ILE 125 Ca -0.06 -0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 60.24 1jw3 s ILE 125 Cb -0.04 -3.92 -0.04 0.00 1.25 0.00 0.00 42.46 39.72 1jw3 s ILE 125 CO -0.00 -0.23 0.07 -0.22 0.24 0.00 0.00 174.94 174.80 1jw3 s LEU 126 N 2.12 3.95 -0.25 0.37 1.98 0.11 -4.22 118.68 122.73 1jw3 s LEU 126 Ca 0.13 0.23 -0.10 0.00 -2.89 0.00 0.00 54.13 51.50 1jw3 s LEU 126 Cb -0.17 -1.96 -0.05 0.00 0.66 0.00 0.00 46.19 44.68 1jw3 s LEU 126 CO 0.13 0.32 0.15 1.51 -1.89 0.00 0.00 176.35 176.56 1jw3 s ASP 127 N -0.48 5.86 -0.10 3.68 1.47 -1.26 -0.71 116.67 125.13 1jw3 s ASP 127 Ca 0.10 0.00 0.02 0.00 1.18 0.00 0.00 52.55 53.86 1jw3 s ASP 127 Cb -0.12 -2.07 0.01 0.00 -0.34 0.00 0.00 42.92 40.41 1jw3 s ASP 127 CO 0.02 0.01 -0.17 -0.70 0.68 0.00 0.00 175.17 175.01 1jw3 s GLU 128 N 1.39 2.33 -2.14 2.11 2.56 0.19 -4.69 118.70 120.46 1jw3 s GLU 128 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.42 1jw3 s GLU 128 Cb -0.15 -1.91 0.00 0.00 2.00 0.00 0.00 34.13 34.08 1jw3 s GLU 128 CO 0.07 0.01 0.00 -3.47 -0.56 0.00 0.00 175.26 171.30 1jw3 n ASP 129 N 3.97 -5.34 0.00 -1.70 2.03 -1.26 0.11 116.55 114.36 1jw3 n ASP 129 Ca -0.20 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1jw3 n ASP 129 Cb 0.52 -4.72 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 -0.40 0.73 3.89 0.27 0.00 -1.26 -5.05 105.19 103.37 1jw3 n GLY 130 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 4.35 -0.14 0.99 1.43 0.12 -4.94 118.68 120.48 1jw3 s LEU 131 Ca 0.00 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1jw3 s LEU 131 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1jw3 s LEU 131 CO 0.00 0.29 0.12 0.27 0.23 0.00 0.00 176.35 177.25 1jw3 s ILE 132 N -1.27 5.32 -0.02 -0.59 -0.00 -1.26 0.57 121.20 123.95 1jw3 s ILE 132 Ca 0.25 0.15 0.02 0.00 -0.00 0.00 0.00 60.65 61.07 1jw3 s ILE 132 Cb -0.12 -3.35 0.00 0.00 -0.00 0.00 0.00 42.46 38.99 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 -0.51 0.67 0.09 0.37 3.01 0.11 -0.09 119.74 123.39 1jw3 s LYS 133 Ca 0.12 -0.22 0.07 0.00 -1.01 0.00 0.00 55.97 54.93 1jw3 s LYS 133 Cb -0.12 -0.65 -0.04 0.00 -1.01 0.00 0.00 37.83 36.01 1jw3 s LYS 133 CO 0.02 0.09 -0.12 0.00 0.51 0.00 0.00 175.35 175.86 1jw3 s ALA 134 N 0.13 2.89 -0.12 5.17 0.00 0.46 0.04 121.76 130.33 1jw3 s ALA 134 Ca -0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 1jw3 s ALA 134 Cb -0.06 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1jw3 s ALA 134 CO -0.00 0.63 -0.09 -0.98 0.00 0.00 0.00 175.76 175.31 1jw3 s ARG 135 N -2.06 1.71 -0.17 0.00 1.70 -1.17 -0.50 118.95 118.46 1jw3 s ARG 135 Ca 0.20 -0.33 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1jw3 s ARG 135 Cb -0.11 -1.70 0.05 0.00 -0.57 0.00 0.00 34.95 32.62 1jw3 s ARG 135 CO 0.12 -0.25 -0.02 0.08 -1.08 0.00 0.00 175.30 174.14 1jw3 s VAL 136 N 1.63 0.91 -0.30 4.99 1.01 -0.31 0.23 120.40 128.56 1jw3 s VAL 136 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1jw3 s VAL 136 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1jw3 s VAL 136 CO -0.08 0.04 0.10 -0.63 0.00 0.00 0.00 175.10 174.53 1jw3 s ILE 137 N 1.71 4.20 0.13 2.22 1.01 -1.26 0.15 121.20 129.36 1jw3 s ILE 137 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1jw3 s ILE 137 Cb -0.16 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1jw3 s ILE 137 CO -0.07 0.10 0.12 -0.76 0.00 0.00 0.00 174.94 174.33 1jw3 s LEU 138 N 1.55 3.83 -0.41 2.97 1.43 0.40 -4.22 118.68 124.24 1jw3 s LEU 138 Ca 0.04 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 1jw3 s LEU 138 Cb -0.17 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.61 1jw3 s LEU 138 CO 0.04 0.11 1.03 -0.62 0.23 0.00 0.00 176.35 177.14 1jw3 s ASP 139 N -2.81 6.70 0.00 2.29 -1.08 0.76 0.18 116.67 122.70 1jw3 s ASP 139 Ca 0.30 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 1jw3 s ASP 139 Cb -0.11 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1jw3 s ASP 139 CO 0.23 -1.02 0.00 0.18 0.52 0.00 0.00 175.17 175.08