#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 0.00 2.12 5.02 -1.26 -5.04 118.16 119.00 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 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.57 1.25 3.88 0.72 0.00 -1.26 -4.80 105.19 105.55 1jw3 n GLY 3 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.36 3.61 -0.07 1.61 -0.12 -1.25 -1.27 117.98 118.13 1jw3 s PHE 4 Ca 0.00 0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 57.40 1jw3 s PHE 4 Cb 0.00 -1.97 0.03 0.00 -0.63 0.00 0.00 43.02 40.45 1jw3 s PHE 4 CO 0.00 0.73 0.17 -1.83 -0.05 0.00 0.00 175.22 174.24 1jw3 s GLU 5 N -1.05 0.17 0.07 1.99 -1.05 0.33 -4.94 118.70 114.23 1jw3 s GLU 5 Ca 0.16 0.30 0.07 0.00 -0.15 0.00 0.00 54.97 55.35 1jw3 s GLU 5 Cb -0.12 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 1jw3 s GLU 5 CO 0.05 -0.08 -0.14 -0.59 0.95 0.00 0.00 175.26 175.45 1jw3 s PHE 6 N 0.52 2.65 -0.07 4.83 -0.71 -1.26 0.12 117.98 124.05 1jw3 s PHE 6 Ca -0.04 -0.20 -0.00 0.00 -1.04 0.00 0.00 56.93 55.65 1jw3 s PHE 6 Cb -0.05 -1.45 -0.03 0.00 -1.21 0.00 0.00 43.02 40.28 1jw3 s PHE 6 CO -0.02 0.35 -0.04 -0.59 -1.34 0.00 0.00 175.22 173.58 1jw3 s PHE 7 N -1.07 3.04 -0.43 3.49 -0.12 -1.25 -5.02 117.98 116.61 1jw3 s PHE 7 Ca 0.18 0.10 -0.27 0.00 -0.05 0.00 0.00 56.93 56.88 1jw3 s PHE 7 Cb -0.11 -1.74 -0.08 0.00 -0.63 0.00 0.00 43.02 40.47 1jw3 s PHE 7 CO 0.09 0.40 2.37 -0.40 -0.05 0.00 0.00 175.22 177.62 1jw3 n ASP 8 N 2.15 2.46 -4.75 1.98 5.75 -1.26 -4.70 116.55 118.18 1jw3 n ASP 8 Ca -0.18 -0.22 -0.28 0.00 -0.01 0.00 0.00 54.79 54.11 1jw3 n ASP 8 Cb 0.53 -1.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.04 1jw3 n ASP 8 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jw3 s VAL 9 N 10.67 4.27 -0.84 2.12 0.11 -1.26 -5.05 120.40 130.41 1jw3 s VAL 9 Ca 1.02 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1jw3 s VAL 9 Cb -0.32 -3.13 0.34 0.00 -1.53 0.00 0.00 36.38 31.73 1jw3 s VAL 9 CO 0.31 -0.04 1.56 0.41 -3.33 0.00 0.00 175.10 174.02 1jw3 n THR 10 N -0.03 4.71 0.00 5.04 -1.04 -1.26 -4.74 114.28 116.96 1jw3 n THR 10 Ca -0.09 -5.60 0.00 0.00 -2.04 0.00 0.00 64.05 56.32 1jw3 n THR 10 Cb 0.54 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1jw3 n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jw3 n ALA 11 N -0.20 0.00 -3.71 2.41 0.00 -1.26 -5.08 120.51 112.68 1jw3 n ALA 11 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 1jw3 n ALA 11 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.60 1jw3 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jw3 s ASP 12 N 0.00 2.62 -0.24 0.00 1.01 -1.26 0.22 116.67 119.02 1jw3 s ASP 12 Ca 0.00 -0.47 -0.07 0.00 0.71 0.00 0.00 52.55 52.71 1jw3 s ASP 12 Cb 0.00 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 1jw3 s ASP 12 CO 0.00 0.02 0.07 0.00 0.21 0.00 0.00 175.17 175.47 1jw3 s ALA 13 N 1.01 3.19 -0.14 5.23 0.00 0.33 -4.69 121.76 126.70 1jw3 s ALA 13 Ca -0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1jw3 s ALA 13 Cb -0.15 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1jw3 s ALA 13 CO -0.03 -0.37 -0.10 0.20 0.00 0.00 0.00 175.76 175.47 1jw3 s GLY 14 N 1.40 1.60 0.08 0.00 0.00 -1.25 0.15 107.32 109.30 1jw3 s GLY 14 Ca 0.05 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1jw3 s GLY 14 CO 0.04 -0.13 0.08 -1.36 0.00 0.00 0.00 173.10 171.72 1jw3 s PHE 15 N 0.39 3.17 -0.19 1.90 0.08 -0.83 -3.93 117.98 118.59 1jw3 s PHE 15 Ca -0.08 0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 1jw3 s PHE 15 Cb -0.15 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1jw3 s PHE 15 CO 0.04 0.52 -0.05 -1.58 -0.10 0.00 0.00 175.22 174.06 1jw3 s TRP 16 N -1.40 2.97 0.05 0.36 0.51 0.32 -2.64 118.94 119.11 1jw3 s TRP 16 Ca 0.29 -0.62 0.09 0.00 -2.12 0.00 0.00 56.10 53.74 1jw3 s TRP 16 Cb -0.12 -2.02 -0.03 0.00 -0.81 0.00 0.00 33.47 30.49 1jw3 s TRP 16 CO 0.22 -0.30 -0.25 0.00 -0.51 0.00 0.00 176.95 176.11 1jw3 s ALA 17 N 0.92 2.14 0.01 0.98 0.00 -0.87 0.12 121.76 125.08 1jw3 s ALA 17 Ca -0.00 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1jw3 s ALA 17 Cb -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1jw3 s ALA 17 CO 0.01 0.50 -0.12 0.71 0.00 0.00 0.00 175.76 176.86 1jw3 s TYR 18 N -0.83 2.74 0.00 0.00 2.02 -0.39 -1.17 117.35 119.72 1jw3 s TYR 18 Ca 0.11 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 1jw3 s TYR 18 Cb -0.10 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1jw3 s TYR 18 CO 0.02 0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.72 1jw3 n GLY 19 N 1.61 0.63 0.00 0.71 0.00 0.97 -4.69 105.19 104.43 1jw3 n GLY 19 Ca -0.16 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.05 0.00 -1.50 1.61 -0.00 -1.26 -4.48 115.22 108.54 1jw3 n HIS 20 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1jw3 n HIS 20 Cb 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 29.99 30.01 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 -0.03 0.00 0.41 -0.08 -1.26 -4.96 116.55 110.62 1jw3 n ASP 21 Ca 0.00 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1jw3 n ASP 21 Cb 0.35 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jw3 n LEU 22 N 0.00 0.00 0.13 -2.67 7.99 -1.26 -4.35 117.00 116.84 1jw3 n LEU 22 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.86 1jw3 n LEU 22 Cb 0.26 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.50 1jw3 n LEU 22 CO -0.00 0.00 0.78 1.05 -1.51 0.00 0.00 177.39 177.70 1jw3 h GLU 23 N 0.00 -0.31 -0.28 3.23 4.11 -1.94 -2.06 114.58 117.32 1jw3 h GLU 23 Ca 0.00 0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.53 1jw3 h GLU 23 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jw3 h GLU 23 CO 0.00 -0.21 0.40 0.93 0.07 0.00 0.00 179.01 180.20 1jw3 h GLU 24 N -0.32 0.00 -0.03 1.06 4.39 -1.82 -1.35 114.58 116.50 1jw3 h GLU 24 Ca -0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1jw3 h GLU 24 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1jw3 h GLU 24 CO -0.01 0.00 -0.73 -0.24 -1.16 0.00 0.00 179.01 176.87 1jw3 h VAL 25 N 0.00 1.45 -0.23 3.13 3.04 -1.64 -2.95 116.25 119.04 1jw3 h VAL 25 Ca 0.13 -2.31 -0.18 0.00 -1.01 0.00 0.00 66.70 63.34 1jw3 h VAL 25 Cb 0.93 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.45 1jw3 h VAL 25 CO -0.00 0.67 -0.55 0.15 -1.01 0.00 0.00 177.57 176.83 1jw3 h PHE 26 N 0.12 1.00 -0.18 3.17 3.04 -1.28 -3.05 116.94 119.77 1jw3 h PHE 26 Ca -0.02 -0.38 -0.03 0.00 3.98 0.00 0.00 57.97 61.52 1jw3 h PHE 26 Cb 1.29 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 1jw3 h PHE 26 CO 0.02 1.19 -0.03 1.05 -2.02 0.00 0.00 178.31 178.53 1jw3 h GLU 27 N 0.53 0.26 0.00 1.11 -0.00 -1.60 -1.39 114.58 113.49 1jw3 h GLU 27 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1jw3 h GLU 27 Cb 1.17 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1jw3 h GLU 27 CO 0.12 0.32 -0.03 -0.97 -0.00 0.00 0.00 179.01 178.45 1jw3 h ASN 28 N 0.26 0.00 -0.79 3.06 -1.24 -1.40 -2.58 115.58 112.88 1jw3 h ASN 28 Ca 0.06 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.21 1jw3 h ASN 28 Cb 0.23 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.19 1jw3 h ASN 28 CO 0.01 0.03 0.38 0.00 -1.29 0.00 0.00 177.43 176.56 1jw3 h ALA 29 N 1.97 1.16 -0.06 1.57 0.00 -1.28 0.12 119.26 122.73 1jw3 h ALA 29 Ca -0.00 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1jw3 h ALA 29 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jw3 h ALA 29 CO 0.00 -0.12 -0.65 0.00 0.00 0.00 0.00 179.25 178.48 1jw3 h ALA 30 N 1.53 0.78 -0.03 0.00 0.00 -1.63 -2.83 119.26 117.09 1jw3 h ALA 30 Ca 0.43 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jw3 h ALA 30 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jw3 h ALA 30 CO -0.36 0.76 0.04 1.25 0.00 0.00 0.00 179.25 180.94 1jw3 h LEU 31 N 0.18 0.00 -0.04 0.00 6.46 -0.75 -2.34 115.31 118.82 1jw3 h LEU 31 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1jw3 h LEU 31 Cb 1.17 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1jw3 h LEU 31 CO 0.10 0.00 -0.02 0.00 -0.62 0.00 0.00 178.44 177.90 1jw3 h ALA 32 N 1.94 0.05 -0.71 1.25 0.00 -1.09 -3.05 119.26 117.65 1jw3 h ALA 32 Ca 0.01 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 54.89 1jw3 h ALA 32 Cb 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1jw3 h ALA 32 CO -0.00 -0.20 0.57 1.98 0.00 0.00 0.00 179.25 181.60 1jw3 h MET 33 N -0.34 0.00 -0.98 0.00 4.05 -1.53 -0.58 114.93 115.56 1jw3 h MET 33 Ca 0.01 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.62 1jw3 h MET 33 Cb 0.47 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.18 1jw3 h MET 33 CO 0.01 0.00 0.61 0.35 0.23 0.00 0.00 176.91 178.11 1jw3 h PHE 34 N 0.00 0.92 -0.68 1.39 3.57 -1.56 0.20 116.94 120.78 1jw3 h PHE 34 Ca 0.34 0.03 0.19 0.00 3.53 0.00 0.00 57.97 62.06 1jw3 h PHE 34 Cb 1.48 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1jw3 h PHE 34 CO 0.00 0.23 0.49 1.49 -2.23 0.00 0.00 178.31 178.29 1jw3 h GLU 35 N 0.68 0.03 0.00 1.11 4.57 -1.27 -0.28 114.58 119.42 1jw3 h GLU 35 Ca 0.54 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.52 1jw3 h GLU 35 Cb 0.96 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 1jw3 h GLU 35 CO -0.31 0.02 -1.35 0.28 -1.18 0.00 0.00 179.01 176.48 1jw3 n VAL 36 N -4.35 1.50 -0.03 0.32 0.31 0.54 -4.57 118.33 112.06 1jw3 n VAL 36 Ca 0.13 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 1jw3 n VAL 36 Cb 0.73 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 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 -1.00 -0.40 -1.79 5.55 2.86 -0.88 -3.32 114.93 115.95 1jw3 h MET 37 Ca -0.30 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.56 1jw3 h MET 37 Cb 1.14 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.83 1jw3 h MET 37 CO -0.18 -0.27 -0.32 -2.37 1.06 0.00 0.00 176.91 174.83 1jw3 n THR 38 N -5.42 0.00 -0.95 2.22 5.66 -0.13 -4.59 114.28 111.06 1jw3 n THR 38 Ca -0.03 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1jw3 n THR 38 Cb 0.35 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1jw3 n THR 38 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1jw3 n ASP 39 N -4.34 -4.60 0.24 1.09 2.03 -1.26 -4.82 116.55 104.89 1jw3 n ASP 39 Ca -0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1jw3 n ASP 39 Cb 0.59 -2.66 0.49 0.00 -0.72 0.00 0.00 41.12 38.81 1jw3 n ASP 39 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jw3 h THR 40 N 0.00 0.22 -0.28 5.18 1.35 -1.90 -3.21 112.91 114.26 1jw3 h THR 40 Ca 0.00 -0.88 0.08 0.00 -0.55 0.00 0.00 66.41 65.06 1jw3 h THR 40 Cb 0.66 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1jw3 h THR 40 CO 0.00 0.09 0.71 -1.28 -0.25 0.00 0.00 175.52 174.79 1jw3 h SER 41 N 0.00 0.00 0.93 5.36 0.87 -1.91 1.08 113.55 119.87 1jw3 h SER 41 Ca -0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1jw3 h SER 41 Cb 0.72 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1jw3 h SER 41 CO 0.01 0.00 -0.89 -0.07 -0.53 0.00 0.00 176.83 175.36 1jw3 h LEU 42 N 0.00 0.00 -9.03 2.23 4.07 -1.97 -3.43 115.31 107.18 1jw3 h LEU 42 Ca 0.13 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.47 1jw3 h LEU 42 Cb 1.55 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 43.15 1jw3 h LEU 42 CO -0.00 0.89 -0.35 0.68 -1.08 0.00 0.00 178.44 178.57 1jw3 s VAL 43 N -2.94 5.26 0.00 1.22 -7.23 0.37 -4.97 120.40 112.12 1jw3 s VAL 43 Ca 0.01 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1jw3 s VAL 43 Cb 0.11 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1jw3 s VAL 43 CO 0.80 0.25 0.00 1.21 -0.31 0.00 0.00 175.10 177.06 1jw3 n GLU 44 N 4.74 0.00 -3.29 4.82 4.07 -1.26 -4.95 120.64 124.76 1jw3 n GLU 44 Ca -0.11 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.78 1jw3 n GLU 44 Cb 0.51 -0.12 -0.08 0.00 -0.06 0.00 0.00 31.44 31.70 1jw3 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jw3 s ALA 45 N -2.59 0.16 -0.22 4.31 0.00 -1.26 -3.97 121.76 118.18 1jw3 s ALA 45 Ca 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1jw3 s ALA 45 Cb 0.00 -1.93 -0.20 0.00 0.00 0.00 0.00 23.12 21.00 1jw3 s ALA 45 CO 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 175.76 173.59 1jw3 n ALA 46 N 3.49 1.36 -2.27 0.00 0.00 -1.26 -4.79 120.51 117.04 1jw3 n ALA 46 Ca 0.19 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.45 1jw3 n ALA 46 Cb 0.47 -0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 1jw3 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jw3 s GLU 47 N -2.53 1.32 -0.06 0.00 0.41 -1.26 -4.82 118.70 111.77 1jw3 s GLU 47 Ca -0.29 -1.71 -0.02 0.00 -0.41 0.00 0.00 54.97 52.54 1jw3 s GLU 47 Cb 0.08 -0.03 0.04 0.00 -1.78 0.00 0.00 34.13 32.44 1jw3 s GLU 47 CO 0.66 -0.34 0.11 -2.00 -0.49 0.00 0.00 175.26 173.20 1jw3 s GLU 48 N -4.08 0.02 -0.05 1.61 2.12 -1.25 -1.21 118.70 115.85 1jw3 s GLU 48 Ca 0.38 0.38 0.03 0.00 0.36 0.00 0.00 54.97 56.12 1jw3 s GLU 48 Cb 0.07 -0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.20 1jw3 s GLU 48 CO 0.13 -0.23 -0.13 1.03 -0.54 0.00 0.00 175.26 175.52 1jw3 s ARG 49 N 1.59 1.56 -0.06 4.30 1.81 0.24 -4.95 118.95 123.45 1jw3 s ARG 49 Ca -0.04 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.49 1jw3 s ARG 49 Cb -0.12 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 1jw3 s ARG 49 CO -0.05 0.11 0.11 1.03 -0.68 0.00 0.00 175.30 175.82 1jw3 s ARG 50 N 0.36 3.25 0.03 3.54 1.81 -1.26 0.09 118.95 126.77 1jw3 s ARG 50 Ca -0.09 -0.32 0.02 0.00 -1.72 0.00 0.00 55.73 53.62 1jw3 s ARG 50 Cb -0.13 -3.00 -0.02 0.00 -0.45 0.00 0.00 34.95 31.35 1jw3 s ARG 50 CO 0.03 0.71 -0.08 0.08 -0.68 0.00 0.00 175.30 175.35 1jw3 s VAL 51 N -1.11 0.55 0.03 3.52 1.01 0.39 -4.98 120.40 119.81 1jw3 s VAL 51 Ca 0.20 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1jw3 s VAL 51 Cb -0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1jw3 s VAL 51 CO 0.10 -0.23 -0.19 -1.61 0.00 0.00 0.00 175.10 173.17 1jw3 s GLU 52 N -1.19 1.33 0.03 2.72 2.02 -1.26 0.30 118.70 122.65 1jw3 s GLU 52 Ca -0.06 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1jw3 s GLU 52 Cb -0.08 -1.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 1jw3 s GLU 52 CO 0.00 0.36 -0.04 0.42 0.02 0.00 0.00 175.26 176.03 1jw3 s ILE 53 N -0.73 0.17 -0.21 -1.63 1.01 0.35 -4.94 121.20 115.22 1jw3 s ILE 53 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1jw3 s ILE 53 Cb -0.08 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.01 1jw3 s ILE 53 CO 0.01 -0.53 -0.13 0.28 0.00 0.00 0.00 174.94 174.57 1jw3 s THR 54 N -1.68 1.93 0.33 2.92 -1.32 -1.26 0.96 115.64 117.52 1jw3 s THR 54 Ca -0.13 -1.20 0.09 0.00 -1.21 0.00 0.00 61.69 59.24 1jw3 s THR 54 Cb -0.08 -1.94 -0.06 0.00 -1.51 0.00 0.00 72.50 68.90 1jw3 s THR 54 CO -0.02 0.20 -0.10 -0.44 -2.21 0.00 0.00 174.62 172.05 1jw3 s SER 55 N 1.27 3.61 -0.04 8.08 0.01 0.55 -4.92 113.70 122.26 1jw3 s SER 55 Ca -0.02 -1.19 0.22 0.00 1.31 0.00 0.00 55.95 56.27 1jw3 s SER 55 Cb -0.17 -0.33 0.38 0.00 0.21 0.00 0.00 66.02 66.11 1jw3 s SER 55 CO -0.08 -0.20 1.15 -0.62 0.41 0.00 0.00 173.24 173.89 1jw3 n GLU 56 N -0.76 0.25 -0.08 12.44 1.02 -1.26 0.27 120.64 132.52 1jw3 n GLU 56 Ca -0.05 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 1jw3 n GLU 56 Cb 0.63 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.24 0.00 0.00 1.62 2.03 -1.26 -4.92 116.55 114.26 1jw3 n ASP 57 Ca 0.01 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1jw3 n ASP 57 Cb 1.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.43 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 -0.23 -0.67 1.74 -1.26 -4.24 116.66 112.00 1jw3 n ARG 58 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1jw3 n ARG 58 Cb 0.10 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.67 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1jw3 h VAL 59 N 0.00 0.78 -0.09 1.55 3.04 -1.86 0.12 116.25 119.79 1jw3 h VAL 59 Ca 0.00 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1jw3 h VAL 59 Cb 0.00 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1jw3 h VAL 59 CO 0.00 0.09 -0.03 0.28 -1.01 0.00 0.00 177.57 176.90 1jw3 h SER 60 N 0.48 0.11 -0.97 3.17 0.02 -1.79 -1.96 113.55 112.61 1jw3 h SER 60 Ca 0.34 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.41 1jw3 h SER 60 Cb 0.42 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 1jw3 h SER 60 CO -0.31 0.17 0.60 0.25 -1.14 0.00 0.00 176.83 176.40 1jw3 h LEU 61 N 0.12 0.85 -0.06 5.07 6.46 -1.08 0.38 115.31 127.04 1jw3 h LEU 61 Ca 0.03 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1jw3 h LEU 61 Cb 0.14 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1jw3 h LEU 61 CO 0.01 0.43 -0.17 0.25 -0.62 0.00 0.00 178.44 178.34 1jw3 h LEU 62 N 0.91 0.26 -1.06 2.25 7.12 -1.32 -1.05 115.31 122.42 1jw3 h LEU 62 Ca 0.50 -0.59 0.05 0.00 0.13 0.00 0.00 57.88 57.96 1jw3 h LEU 62 Cb 0.55 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.55 1jw3 h LEU 62 CO -0.29 0.80 0.63 0.22 -0.13 0.00 0.00 178.44 179.68 1jw3 h TYR 63 N -0.28 1.17 0.00 1.25 3.20 -1.12 -0.63 116.97 120.56 1jw3 h TYR 63 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1jw3 h TYR 63 Cb 0.77 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1jw3 h TYR 63 CO 0.12 0.65 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.76 1jw3 h ASP 64 N 1.18 0.00 0.13 -2.11 3.32 -0.30 -2.93 116.42 115.71 1jw3 h ASP 64 Ca 0.40 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1jw3 h ASP 64 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jw3 h ASP 64 CO -0.14 0.01 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.08 1jw3 h TRP 65 N 0.00 -0.16 -0.12 4.55 -0.00 0.26 -2.81 115.95 117.66 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 0.79 0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 30.00 1jw3 h TRP 65 CO 0.00 0.31 -0.59 -0.07 -0.00 0.00 0.00 178.44 178.09 1jw3 h LEU 66 N -0.82 0.45 -1.60 0.65 3.38 -1.58 -2.40 115.31 113.40 1jw3 h LEU 66 Ca -0.02 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1jw3 h LEU 66 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1jw3 h LEU 66 CO 0.03 0.94 0.35 0.44 0.09 0.00 0.00 178.44 180.29 1jw3 h ASP 67 N 0.30 0.44 0.14 -0.43 5.19 -1.61 0.47 116.42 120.92 1jw3 h ASP 67 Ca -0.00 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1jw3 h ASP 67 Cb 1.11 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1jw3 h ASP 67 CO 0.10 0.29 -0.07 -0.08 -3.12 0.00 0.00 179.24 176.36 1jw3 h GLU 68 N 0.50 -0.18 -0.24 3.56 4.57 -1.20 -3.04 114.58 118.55 1jw3 h GLU 68 Ca 0.23 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1jw3 h GLU 68 Cb 0.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1jw3 h GLU 68 CO -0.06 0.22 0.17 1.25 -1.18 0.00 0.00 179.01 179.41 1jw3 h LEU 69 N -0.63 0.12 -0.21 1.64 6.46 -0.83 -2.47 115.31 119.39 1jw3 h LEU 69 Ca -0.02 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1jw3 h LEU 69 Cb 0.48 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 1jw3 h LEU 69 CO 0.03 0.08 -0.19 0.25 -0.62 0.00 0.00 178.44 177.99 1jw3 h LEU 70 N 0.14 -0.60 -0.18 2.25 7.12 0.03 1.20 115.31 125.27 1jw3 h LEU 70 Ca 0.11 0.12 -0.09 0.00 0.13 0.00 0.00 57.88 58.14 1jw3 h LEU 70 Cb 0.26 0.29 -0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1jw3 h LEU 70 CO -0.02 -0.23 -0.24 0.15 -0.13 0.00 0.00 178.44 177.98 1jw3 h PHE 71 N -0.20 0.58 -0.35 1.25 3.04 -1.51 -3.12 116.94 116.64 1jw3 h PHE 71 Ca 0.13 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1jw3 h PHE 71 Cb 0.39 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1jw3 h PHE 71 CO -0.34 0.87 0.17 0.82 -2.02 0.00 0.00 178.31 177.82 1jw3 h ILE 72 N 0.12 1.12 -0.54 1.41 2.04 -1.09 -2.89 117.51 117.68 1jw3 h ILE 72 Ca 0.02 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.67 1jw3 h ILE 72 Cb 0.80 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 1jw3 h ILE 72 CO 0.06 0.13 -0.11 -0.74 0.00 0.00 0.00 178.15 177.49 1jw3 h HIS 73 N 0.48 -0.24 -0.09 1.37 2.76 0.15 0.30 115.15 119.89 1jw3 h HIS 73 Ca 0.12 0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 58.16 1jw3 h HIS 73 Cb 0.04 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1jw3 h HIS 73 CO 0.00 -0.21 -0.70 0.22 -1.30 0.00 0.00 177.93 175.94 1jw3 h ASP 74 N 0.02 0.49 0.38 3.26 1.82 -1.63 1.29 116.42 122.06 1jw3 h ASP 74 Ca 0.26 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1jw3 h ASP 74 Cb 0.40 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1jw3 h ASP 74 CO -0.54 1.04 0.00 0.74 -1.61 0.00 0.00 179.24 178.88 1jw3 h THR 75 N 0.29 0.00 -0.54 2.25 2.02 -0.97 -3.33 112.91 112.63 1jw3 h THR 75 Ca -0.02 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 1jw3 h THR 75 Cb 1.26 1.04 -0.15 0.00 -1.74 0.00 0.00 68.15 68.56 1jw3 h THR 75 CO 0.12 0.00 -0.37 -1.84 0.37 0.00 0.00 175.52 173.80 1jw3 n GLU 76 N -2.81 0.46 -1.55 6.66 0.28 0.92 -5.08 120.64 119.53 1jw3 n GLU 76 Ca -0.01 -1.60 -0.21 0.00 -0.16 0.00 0.00 57.16 55.18 1jw3 n GLU 76 Cb 0.15 -1.02 -0.09 0.00 1.43 0.00 0.00 31.44 31.91 1jw3 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1jw3 n PHE 77 N 2.48 1.02 -4.31 -1.84 3.72 0.44 -4.58 117.46 114.39 1jw3 n PHE 77 Ca 0.13 0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 57.27 1jw3 n PHE 77 Cb 0.61 -2.30 -0.10 0.00 -0.94 0.00 0.00 39.48 36.74 1jw3 n PHE 77 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jw3 s ILE 78 N 11.80 3.52 0.00 4.37 -4.36 -1.26 -4.08 121.20 131.20 1jw3 s ILE 78 Ca 1.02 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1jw3 s ILE 78 Cb -0.31 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.79 1jw3 s ILE 78 CO 0.22 0.21 0.01 0.18 0.24 0.00 0.00 174.94 175.80 1jw3 n LEU 79 N 0.99 2.43 -3.97 0.37 4.77 -1.26 -5.01 117.00 115.32 1jw3 n LEU 79 Ca -0.14 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 1jw3 n LEU 79 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1jw3 n LEU 79 CO 0.33 0.00 -0.39 0.12 -1.33 0.00 0.00 177.39 176.12 1jw3 s PHE 80 N -0.03 0.44 0.17 -1.77 5.36 -1.26 -4.41 117.98 116.48 1jw3 s PHE 80 Ca 0.00 -0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 55.61 1jw3 s PHE 80 Cb 0.00 -0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.43 1jw3 s PHE 80 CO 0.00 -0.03 0.46 -1.54 -1.46 0.00 0.00 175.22 172.65 1jw3 s SER 81 N -0.52 -0.22 -0.17 6.13 1.04 -1.26 -4.89 113.70 113.80 1jw3 s SER 81 Ca -0.02 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1jw3 s SER 81 Cb -0.04 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1jw3 s SER 81 CO -0.00 -0.98 1.04 -0.54 0.98 0.00 0.00 173.24 173.75 1jw3 s LYS 82 N -3.86 4.32 -0.24 4.02 -0.14 -1.26 -4.78 119.74 117.80 1jw3 s LYS 82 Ca 0.08 1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 56.01 1jw3 s LYS 82 Cb 0.00 -3.61 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1jw3 s LYS 82 CO -0.05 -0.51 0.09 -0.06 -0.76 0.00 0.00 175.35 174.06 1jw3 s PHE 83 N 2.73 3.14 -0.14 3.18 0.40 -1.26 -3.93 117.98 122.09 1jw3 s PHE 83 Ca 0.46 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.49 1jw3 s PHE 83 Cb -0.17 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1jw3 s PHE 83 CO 0.11 -0.24 0.09 -1.59 0.70 0.00 0.00 175.22 174.30 1jw3 s LYS 84 N 1.44 3.59 0.06 0.44 -2.85 -0.41 -4.76 119.74 117.25 1jw3 s LYS 84 Ca 0.06 -0.25 0.04 0.00 -1.00 0.00 0.00 55.97 54.82 1jw3 s LYS 84 Cb -0.15 -3.16 -0.03 0.00 -2.06 0.00 0.00 37.83 32.44 1jw3 s LYS 84 CO 0.05 0.58 -0.11 0.54 0.10 0.00 0.00 175.35 176.50 1jw3 s VAL 85 N -0.47 0.86 -0.01 1.79 0.11 -1.25 0.43 120.40 121.86 1jw3 s VAL 85 Ca 0.11 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1jw3 s VAL 85 Cb -0.12 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1jw3 s VAL 85 CO 0.02 -0.28 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.63 1jw3 s LYS 86 N -1.63 1.10 -0.10 1.54 2.47 1.41 -4.64 119.74 119.89 1jw3 s LYS 86 Ca -0.05 -0.46 0.01 0.00 -1.56 0.00 0.00 55.97 53.91 1jw3 s LYS 86 Cb -0.10 -1.05 0.02 0.00 -1.46 0.00 0.00 37.83 35.25 1jw3 s LYS 86 CO 0.01 0.26 -0.11 0.42 0.16 0.00 0.00 175.35 176.09 1jw3 s ILE 87 N -0.22 1.16 -0.06 5.43 1.01 -1.26 0.21 121.20 127.48 1jw3 s ILE 87 Ca 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1jw3 s ILE 87 Cb -0.06 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1jw3 s ILE 87 CO -0.00 0.38 -0.06 -1.81 0.00 0.00 0.00 174.94 173.45 1jw3 s ASP 88 N 1.20 1.33 -0.31 3.58 1.01 0.30 -4.98 116.67 118.79 1jw3 s ASP 88 Ca -0.04 -0.17 -0.29 0.00 0.71 0.00 0.00 52.55 52.76 1jw3 s ASP 88 Cb -0.14 -0.56 0.01 0.00 1.01 0.00 0.00 42.92 43.23 1jw3 s ASP 88 CO -0.03 -0.06 1.24 -1.83 0.21 0.00 0.00 175.17 174.69 1jw3 s GLU 89 N 1.11 3.95 0.00 8.23 -1.05 -1.26 0.17 118.70 129.85 1jw3 s GLU 89 Ca -0.08 1.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 1jw3 s GLU 89 Cb -0.14 -3.84 0.00 0.00 -0.44 0.00 0.00 34.13 29.71 1jw3 s GLU 89 CO -0.01 -1.07 0.00 1.63 0.95 0.00 0.00 175.26 176.76 1jw3 n LYS 90 N 7.21 -0.40 0.00 -4.83 4.76 -1.11 -4.76 118.16 119.02 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 -0.25 -1.37 0.00 0.00 177.40 175.78 1jw3 n ASP 91 N -2.76 0.00 0.00 4.39 9.92 -1.26 -3.97 116.55 122.87 1jw3 n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jw3 n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jw3 n ASP 91 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jw3 n ASP 92 N -0.71 0.00 -0.62 -2.24 9.92 -1.26 -5.15 116.55 116.49 1jw3 n ASP 92 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jw3 n ASP 92 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jw3 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jw3 n GLY 93 N 0.00 1.55 2.93 0.44 0.00 -1.25 -5.05 105.19 103.81 1jw3 n GLY 93 Ca 0.00 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 1.76 -0.01 0.99 2.01 0.77 -2.75 118.68 121.45 1jw3 s LEU 94 Ca 0.00 -0.09 0.05 0.00 0.01 0.00 0.00 54.13 54.10 1jw3 s LEU 94 Cb 0.00 -0.30 -0.01 0.00 0.01 0.00 0.00 46.19 45.89 1jw3 s LEU 94 CO 0.00 0.02 -0.16 -1.00 1.01 0.00 0.00 176.35 176.22 1jw3 s HIS 95 N 0.24 1.42 0.00 0.29 3.76 0.13 0.21 115.29 121.33 1jw3 s HIS 95 Ca -0.02 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1jw3 s HIS 95 Cb -0.06 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 1jw3 s HIS 95 CO -0.00 -0.02 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.54 1jw3 s LEU 96 N -0.44 2.07 -0.15 0.89 0.20 0.27 0.11 118.68 121.63 1jw3 s LEU 96 Ca 0.06 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1jw3 s LEU 96 Cb -0.06 -0.79 0.03 0.00 -0.43 0.00 0.00 46.19 44.93 1jw3 s LEU 96 CO -0.00 0.16 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.21 1jw3 s THR 97 N -0.51 1.44 0.08 3.68 2.01 0.56 0.13 115.64 123.04 1jw3 s THR 97 Ca 0.05 -0.60 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1jw3 s THR 97 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1jw3 s THR 97 CO 0.00 0.39 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.30 1jw3 s GLY 98 N 1.53 1.13 0.00 4.40 0.00 0.15 0.42 107.32 114.95 1jw3 s GLY 98 Ca 0.04 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.68 1jw3 s GLY 98 CO -0.10 -1.12 -0.18 -1.59 0.00 0.00 0.00 173.10 170.11 1jw3 s THR 99 N -1.06 1.45 -0.03 0.90 2.01 0.17 0.15 115.64 119.22 1jw3 s THR 99 Ca 0.05 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1jw3 s THR 99 Cb -0.10 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1jw3 s THR 99 CO 0.03 0.34 -0.06 0.00 -0.69 0.00 0.00 174.62 174.24 1jw3 s ALA 100 N -0.52 0.71 0.06 7.40 0.00 0.11 -1.28 121.76 128.23 1jw3 s ALA 100 Ca 0.07 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1jw3 s ALA 100 Cb -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1jw3 s ALA 100 CO -0.00 0.05 -0.14 1.41 0.00 0.00 0.00 175.76 177.08 1jw3 s MET 101 N 0.57 0.85 0.00 0.00 0.00 -1.25 0.81 119.30 120.28 1jw3 s MET 101 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.75 1jw3 s MET 101 Cb -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 34.83 33.86 1jw3 s MET 101 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.02 175.63 1jw3 n GLY 102 N 1.57 0.75 3.43 2.11 0.00 -0.35 -4.16 105.19 108.55 1jw3 n GLY 102 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 0.51 3.35 0.00 1.61 2.12 -1.26 -4.78 118.70 120.24 1jw3 s GLU 103 Ca 0.00 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1jw3 s GLU 103 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1jw3 s GLU 103 CO 0.00 -0.40 0.00 -1.91 -0.54 0.00 0.00 175.26 172.41 1jw3 n GLU 104 N 4.97 0.00 -3.62 4.30 2.13 -1.26 -4.20 120.64 122.96 1jw3 n GLU 104 Ca -0.14 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.30 1jw3 n GLU 104 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.14 1jw3 n GLU 104 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jw3 s ILE 105 N 0.00 5.22 0.68 6.31 -1.09 -1.26 -5.08 121.20 125.98 1jw3 s ILE 105 Ca 0.00 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.97 1jw3 s ILE 105 Cb 0.00 -3.61 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1jw3 s ILE 105 CO 0.00 0.56 0.98 -0.75 -1.23 0.00 0.00 174.94 174.50 1jw3 s LYS 106 N -0.80 2.27 0.21 2.79 2.20 -1.26 -4.61 119.74 120.54 1jw3 s LYS 106 Ca 0.20 -0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.19 1jw3 s LYS 106 Cb -0.15 -2.21 -0.11 0.00 -1.51 0.00 0.00 37.83 33.86 1jw3 s LYS 106 CO 0.09 -1.15 1.59 -1.21 -0.36 0.00 0.00 175.35 174.31 1jw3 s GLU 107 N -5.18 4.19 -1.42 4.03 2.02 -1.26 -2.82 118.70 118.25 1jw3 s GLU 107 Ca 0.59 2.45 -0.04 0.00 0.02 0.00 0.00 54.97 58.00 1jw3 s GLU 107 Cb -0.11 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 31.04 1jw3 s GLU 107 CO 0.44 -0.62 0.61 0.41 0.02 0.00 0.00 175.26 176.12 1jw3 n GLY 108 N 3.38 -0.30 3.54 -1.39 0.00 -1.26 -4.89 105.19 104.27 1jw3 n GLY 108 Ca 0.13 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.72 2.64 -0.18 1.61 2.46 -1.13 -4.59 115.29 112.39 1jw3 s HIS 109 Ca 0.16 0.07 -0.09 0.00 0.47 0.00 0.00 55.06 55.66 1jw3 s HIS 109 Cb -0.08 -4.32 0.04 0.00 -0.13 0.00 0.00 32.58 28.08 1jw3 s HIS 109 CO 0.86 -1.57 0.19 -1.91 -2.47 0.00 0.00 174.74 169.84 1jw3 n GLU 110 N 8.09 -4.01 -4.06 2.88 4.07 -1.26 -4.94 120.64 121.42 1jw3 n GLU 110 Ca 0.04 3.08 -0.35 0.00 -0.06 0.00 0.00 57.16 59.86 1jw3 n GLU 110 Cb 0.48 -4.51 -0.13 0.00 -0.06 0.00 0.00 31.44 27.22 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1jw3 s ARG 111 N -0.71 3.59 -0.08 5.31 1.81 -1.26 -4.77 118.95 122.84 1jw3 s ARG 111 Ca -0.22 -0.53 0.05 0.00 -1.72 0.00 0.00 55.73 53.31 1jw3 s ARG 111 Cb 0.01 -3.07 -0.09 0.00 -0.45 0.00 0.00 34.95 31.36 1jw3 s ARG 111 CO 0.68 -0.01 -0.00 2.89 -0.68 0.00 0.00 175.30 178.18 1jw3 n ARG 112 N 4.32 2.09 -4.44 3.54 1.85 -1.26 -5.04 116.66 117.72 1jw3 n ARG 112 Ca -0.17 0.01 -0.24 0.00 -1.00 0.00 0.00 57.85 56.45 1jw3 n ARG 112 Cb 0.52 -1.19 -0.10 0.00 -1.05 0.00 0.00 32.46 30.63 1jw3 n ARG 112 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1jw3 s ASP 113 N -4.20 3.68 -0.33 2.89 1.11 -1.25 -5.12 116.67 113.45 1jw3 s ASP 113 Ca -0.06 -0.96 0.00 0.00 0.18 0.00 0.00 52.55 51.71 1jw3 s ASP 113 Cb 0.03 -0.36 0.08 0.00 1.07 0.00 0.00 42.92 43.74 1jw3 s ASP 113 CO 0.29 0.05 0.04 -0.70 1.18 0.00 0.00 175.17 176.03 1jw3 s GLU 114 N -3.41 2.04 -0.33 8.23 2.12 -1.26 -4.97 118.70 121.12 1jw3 s GLU 114 Ca 0.29 -1.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.00 1jw3 s GLU 114 Cb -0.06 -3.23 0.04 0.00 0.26 0.00 0.00 34.13 31.15 1jw3 s GLU 114 CO 0.15 -0.80 0.07 0.54 -0.54 0.00 0.00 175.26 174.68 1jw3 s VAL 115 N 1.10 3.51 0.57 3.70 0.11 -1.26 -4.54 120.40 123.60 1jw3 s VAL 115 Ca 0.02 -1.24 0.26 0.00 -2.93 0.00 0.00 61.98 58.09 1jw3 s VAL 115 Cb -0.20 -3.01 0.34 0.00 -1.53 0.00 0.00 36.38 31.98 1jw3 s VAL 115 CO -0.04 -0.17 2.19 0.11 -3.33 0.00 0.00 175.10 173.86 1jw3 h LYS 116 N 8.14 0.00 0.00 1.54 1.57 0.09 -3.47 116.57 124.45 1jw3 h LYS 116 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1jw3 h LYS 116 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1jw3 h LYS 116 CO 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 1jw3 n ALA 117 N -2.38 0.00 -3.57 3.86 0.00 -1.24 -4.91 120.51 112.27 1jw3 n ALA 117 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1jw3 n ALA 117 Cb 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 1jw3 n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jw3 s VAL 118 N -2.39 3.18 -0.37 0.00 1.01 -1.26 0.88 120.40 121.45 1jw3 s VAL 118 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 1jw3 s VAL 118 Cb 0.00 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1jw3 s VAL 118 CO 0.00 -0.18 0.14 -0.89 0.00 0.00 0.00 175.10 174.17 1jw3 s THR 119 N 1.27 3.37 -0.78 3.92 2.01 0.65 -4.94 115.64 121.15 1jw3 s THR 119 Ca -0.03 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 1jw3 s THR 119 Cb -0.20 -3.13 -0.19 0.00 0.01 0.00 0.00 72.50 68.99 1jw3 s THR 119 CO -0.01 -0.44 2.24 2.22 -0.69 0.00 0.00 174.62 177.94 1jw3 n PHE 120 N 4.67 0.58 -0.14 4.92 -1.74 -1.25 -3.00 117.46 121.51 1jw3 n PHE 120 Ca -0.07 0.39 0.13 0.00 -0.56 0.00 0.00 57.45 57.34 1jw3 n PHE 120 Cb 0.42 -2.04 0.48 0.00 1.52 0.00 0.00 39.48 39.86 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 9.88 0.51 0.00 2.97 -0.00 -1.73 -3.43 115.15 123.35 1jw3 h HIS 121 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1jw3 h HIS 121 Cb 1.15 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1jw3 h HIS 121 CO 0.92 0.22 0.00 -0.12 -0.00 0.00 0.00 177.93 178.96 1jw3 n MET 122 N -4.48 0.00 -3.60 5.26 1.56 -1.23 -4.86 117.12 109.77 1jw3 n MET 122 Ca 0.12 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.28 1jw3 n MET 122 Cb 0.43 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.84 1jw3 n MET 122 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1jw3 n MET 123 N 0.00 -1.70 -4.26 2.12 2.81 0.32 -4.83 117.12 111.58 1jw3 n MET 123 Ca 0.00 0.55 -0.19 0.00 -1.81 0.00 0.00 57.70 56.25 1jw3 n MET 123 Cb 0.00 -4.54 -0.15 0.00 -0.71 0.00 0.00 33.22 27.81 1jw3 n MET 123 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1jw3 s GLU 124 N -5.67 0.77 -0.39 0.03 -1.05 -1.26 -3.28 118.70 107.85 1jw3 s GLU 124 Ca 0.43 -0.21 -0.17 0.00 -0.15 0.00 0.00 54.97 54.88 1jw3 s GLU 124 Cb -0.13 -0.75 0.01 0.00 -0.44 0.00 0.00 34.13 32.81 1jw3 s GLU 124 CO 0.83 0.05 0.43 0.42 0.95 0.00 0.00 175.26 177.94 1jw3 s ILE 125 N 0.36 5.09 -0.13 1.83 1.01 -1.25 -3.26 121.20 124.85 1jw3 s ILE 125 Ca -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1jw3 s ILE 125 Cb -0.09 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1jw3 s ILE 125 CO 0.00 -0.29 0.07 -1.48 0.00 0.00 0.00 174.94 173.24 1jw3 s LEU 126 N 2.16 3.93 -0.26 2.97 0.05 0.43 -4.75 118.68 123.21 1jw3 s LEU 126 Ca 0.13 0.23 -0.10 0.00 0.05 0.00 0.00 54.13 54.44 1jw3 s LEU 126 Cb -0.17 -1.95 -0.05 0.00 -2.05 0.00 0.00 46.19 41.98 1jw3 s LEU 126 CO 0.13 0.32 0.16 1.51 -0.55 0.00 0.00 176.35 177.92 1jw3 s ASP 127 N -0.50 5.93 -0.09 1.48 -4.77 -1.25 0.39 116.67 117.85 1jw3 s ASP 127 Ca 0.10 0.01 0.03 0.00 -3.30 0.00 0.00 52.55 49.39 1jw3 s ASP 127 Cb -0.12 -2.09 0.01 0.00 -1.09 0.00 0.00 42.92 39.64 1jw3 s ASP 127 CO 0.02 -0.00 -0.17 -0.70 0.70 0.00 0.00 175.17 175.02 1jw3 s GLU 128 N 1.46 2.27 -2.12 2.11 2.12 0.29 -4.69 118.70 120.14 1jw3 s GLU 128 Ca 0.07 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1jw3 s GLU 128 Cb -0.15 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1jw3 s GLU 128 CO 0.08 0.05 0.00 -3.47 -0.54 0.00 0.00 175.26 171.37 1jw3 n ASP 129 N 3.83 -5.33 0.00 -1.70 -0.08 -1.26 0.71 116.55 112.73 1jw3 n ASP 129 Ca -0.21 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1jw3 n ASP 129 Cb 0.52 -4.71 0.00 0.00 2.34 0.00 0.00 41.12 39.27 1jw3 n ASP 129 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jw3 n GLY 130 N -0.40 0.76 3.89 0.27 0.00 -1.26 -5.04 105.19 103.41 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 -0.15 0.99 1.43 0.22 -4.95 118.68 120.57 1jw3 s LEU 131 Ca 0.00 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1jw3 s LEU 131 Cb 0.00 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1jw3 s LEU 131 CO 0.00 0.20 0.13 0.27 0.23 0.00 0.00 176.35 177.18 1jw3 s ILE 132 N -1.40 5.42 -0.02 -0.59 -0.00 -1.26 0.10 121.20 123.46 1jw3 s ILE 132 Ca 0.31 0.18 0.02 0.00 -0.00 0.00 0.00 60.65 61.17 1jw3 s ILE 132 Cb -0.13 -3.40 0.00 0.00 -0.00 0.00 0.00 42.46 38.93 1jw3 s ILE 132 CO 0.19 0.55 -0.06 -0.54 -0.00 0.00 0.00 174.94 175.08 1jw3 s LYS 133 N -0.52 0.66 0.02 0.37 1.02 0.16 -0.02 119.74 121.42 1jw3 s LYS 133 Ca 0.12 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.97 1jw3 s LYS 133 Cb -0.12 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 1jw3 s LYS 133 CO 0.02 0.08 -0.18 0.00 -0.92 0.00 0.00 175.35 174.35 1jw3 s ALA 134 N 0.17 1.53 -0.11 5.17 0.00 -0.32 0.16 121.76 128.37 1jw3 s ALA 134 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1jw3 s ALA 134 Cb -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1jw3 s ALA 134 CO -0.00 0.35 -0.14 -0.98 0.00 0.00 0.00 175.76 174.99 1jw3 s ARG 135 N -0.84 2.07 -0.14 0.00 1.04 -1.20 -2.04 118.95 117.84 1jw3 s ARG 135 Ca 0.06 -0.50 -0.01 0.00 -1.04 0.00 0.00 55.73 54.24 1jw3 s ARG 135 Cb -0.08 -1.81 0.04 0.00 -2.04 0.00 0.00 34.95 31.05 1jw3 s ARG 135 CO 0.01 -0.10 -0.05 0.08 -0.04 0.00 0.00 175.30 175.19 1jw3 s VAL 136 N 1.11 1.02 0.15 4.99 1.01 -1.08 -0.52 120.40 127.07 1jw3 s VAL 136 Ca -0.05 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1jw3 s VAL 136 Cb -0.14 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 1jw3 s VAL 136 CO -0.03 0.21 0.69 -0.63 0.00 0.00 0.00 175.10 175.34 1jw3 s ILE 137 N 1.69 4.55 0.11 2.22 1.01 -1.16 -1.96 121.20 127.66 1jw3 s ILE 137 Ca 0.02 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.16 1jw3 s ILE 137 Cb -0.14 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1jw3 s ILE 137 CO -0.08 0.44 -0.18 -0.76 0.00 0.00 0.00 174.94 174.36 1jw3 s LEU 138 N -1.40 2.34 0.17 2.97 2.01 0.39 -0.26 118.68 124.91 1jw3 s LEU 138 Ca 0.36 -0.72 -0.28 0.00 0.01 0.00 0.00 54.13 53.50 1jw3 s LEU 138 Cb -0.20 -0.75 -0.08 0.00 0.01 0.00 0.00 46.19 45.18 1jw3 s LEU 138 CO 0.22 -0.02 0.86 -0.62 1.01 0.00 0.00 176.35 177.81 1jw3 s ASP 139 N -2.09 7.48 0.00 2.29 2.15 0.25 0.12 116.67 126.88 1jw3 s ASP 139 Ca 0.07 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.80 1jw3 s ASP 139 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1jw3 s ASP 139 CO 0.04 0.13 0.27 -0.11 -0.17 0.00 0.00 175.17 175.33