#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jw3 h LYS 2 N 0.00 0.00 0.00 2.12 1.57 -2.03 -3.47 116.57 114.75 1jw3 h LYS 2 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jw3 h LYS 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jw3 h LYS 2 CO 0.00 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 1jw3 n GLY 3 N 1.07 0.88 3.75 3.86 0.00 -1.26 -4.65 105.19 108.84 1jw3 n GLY 3 Ca 0.03 -0.05 -0.36 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 -2.00 3.32 -0.05 1.61 -0.71 -1.26 -0.86 117.98 118.03 1jw3 s PHE 4 Ca 0.00 0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 56.11 1jw3 s PHE 4 Cb 0.00 -1.84 0.02 0.00 -1.21 0.00 0.00 43.02 39.99 1jw3 s PHE 4 CO 0.00 0.57 0.22 -1.83 -1.34 0.00 0.00 175.22 172.83 1jw3 s GLU 5 N -0.94 0.40 0.07 1.99 -1.05 0.33 -4.95 118.70 114.56 1jw3 s GLU 5 Ca 0.14 0.04 0.07 0.00 -0.15 0.00 0.00 54.97 55.07 1jw3 s GLU 5 Cb -0.12 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 1jw3 s GLU 5 CO 0.03 -0.08 -0.14 -0.59 0.95 0.00 0.00 175.26 175.43 1jw3 s PHE 6 N -0.53 2.66 -0.07 4.83 -0.71 -1.26 0.19 117.98 123.08 1jw3 s PHE 6 Ca -0.06 -0.19 -0.00 0.00 -1.04 0.00 0.00 56.93 55.63 1jw3 s PHE 6 Cb -0.04 -1.45 -0.03 0.00 -1.21 0.00 0.00 43.02 40.29 1jw3 s PHE 6 CO 0.01 0.36 -0.04 -0.59 -1.34 0.00 0.00 175.22 173.62 1jw3 s PHE 7 N -1.08 3.04 -0.71 3.49 -0.12 -0.99 -4.99 117.98 116.61 1jw3 s PHE 7 Ca 0.18 0.10 -0.27 0.00 -0.05 0.00 0.00 56.93 56.89 1jw3 s PHE 7 Cb -0.11 -1.74 0.02 0.00 -0.63 0.00 0.00 43.02 40.56 1jw3 s PHE 7 CO 0.09 0.39 1.40 0.16 -0.05 0.00 0.00 175.22 177.22 1jw3 s ASP 8 N -0.86 5.97 0.10 1.98 -4.77 -1.26 -4.16 116.67 113.68 1jw3 s ASP 8 Ca 0.13 -0.28 0.04 0.00 -3.30 0.00 0.00 52.55 49.14 1jw3 s ASP 8 Cb -0.11 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 1jw3 s ASP 8 CO 0.02 -1.95 0.06 -0.69 0.70 0.00 0.00 175.17 173.31 1jw3 s VAL 9 N 6.44 4.34 -0.49 2.11 1.01 -1.23 -5.08 120.40 127.51 1jw3 s VAL 9 Ca 0.42 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1jw3 s VAL 9 Cb -0.09 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1jw3 s VAL 9 CO 0.16 0.07 0.59 -0.89 0.00 0.00 0.00 175.10 175.04 1jw3 s THR 10 N -1.44 4.92 0.00 3.92 2.01 -1.26 -4.12 115.64 119.66 1jw3 s THR 10 Ca 0.28 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1jw3 s THR 10 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.14 1jw3 s THR 10 CO 0.21 -0.73 0.00 0.00 -0.69 0.00 0.00 174.62 173.41 1jw3 n ALA 11 N 6.05 0.00 -2.52 7.40 0.00 -1.26 -5.02 120.51 125.15 1jw3 n ALA 11 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1jw3 n ALA 11 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 3.14 -0.14 0.00 -4.77 -1.26 0.22 116.67 113.85 1jw3 s ASP 12 Ca 0.00 -1.33 -0.05 0.00 -3.30 0.00 0.00 52.55 47.87 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 -0.47 0.29 0.00 0.70 0.00 0.00 175.17 175.70 1jw3 s ALA 13 N -2.96 -0.68 -0.07 2.11 0.00 0.60 -3.47 121.76 117.29 1jw3 s ALA 13 Ca 0.34 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.39 1jw3 s ALA 13 Cb 0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1jw3 s ALA 13 CO 0.16 -0.66 -0.18 0.20 0.00 0.00 0.00 175.76 175.27 1jw3 s GLY 14 N 2.45 1.44 0.05 0.00 0.00 -1.25 0.26 107.32 110.27 1jw3 s GLY 14 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.75 1jw3 s GLY 14 CO -0.09 -0.62 0.06 -1.36 0.00 0.00 0.00 173.10 171.09 1jw3 s PHE 15 N -0.30 3.17 -0.14 1.90 0.40 -0.23 -2.36 117.98 120.42 1jw3 s PHE 15 Ca 0.02 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1jw3 s PHE 15 Cb -0.13 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.76 1jw3 s PHE 15 CO 0.03 0.51 -0.22 -0.46 0.70 0.00 0.00 175.22 175.78 1jw3 s TRP 16 N -1.28 2.63 0.11 0.36 -0.11 0.49 -1.84 118.94 119.30 1jw3 s TRP 16 Ca 0.26 -1.31 0.09 0.00 1.22 0.00 0.00 56.10 56.36 1jw3 s TRP 16 Cb -0.12 -1.79 -0.04 0.00 -1.50 0.00 0.00 33.47 30.02 1jw3 s TRP 16 CO 0.18 -0.60 -0.23 0.00 -4.62 0.00 0.00 176.95 171.68 1jw3 s ALA 17 N 0.80 2.01 0.06 5.86 0.00 -0.83 0.12 121.76 129.78 1jw3 s ALA 17 Ca -0.08 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.62 1jw3 s ALA 17 Cb -0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1jw3 s ALA 17 CO -0.01 0.43 -0.11 0.71 0.00 0.00 0.00 175.76 176.77 1jw3 s TYR 18 N -1.10 2.74 0.00 0.00 2.02 -0.04 -1.07 117.35 119.89 1jw3 s TYR 18 Ca 0.09 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1jw3 s TYR 18 Cb -0.10 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1jw3 s TYR 18 CO 0.05 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 1jw3 n GLY 19 N 1.20 3.33 0.00 0.71 0.00 0.27 -4.50 105.19 106.20 1jw3 n GLY 19 Ca -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1jw3 n GLY 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jw3 n HIS 20 N -0.41 0.00 -1.44 1.61 1.44 -1.26 -4.31 115.22 110.85 1jw3 n HIS 20 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1jw3 n HIS 20 Cb 0.00 0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.14 1jw3 n HIS 20 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1jw3 n ASP 21 N 0.00 -0.09 0.00 4.39 8.00 -1.26 -4.98 116.55 122.60 1jw3 n ASP 21 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1jw3 n ASP 21 Cb 0.40 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1jw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1jw3 n LEU 22 N 0.00 0.00 0.16 0.64 4.77 -1.26 -4.35 117.00 116.96 1jw3 n LEU 22 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1jw3 n LEU 22 Cb 0.24 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.80 1jw3 n LEU 22 CO -0.01 0.00 0.96 1.05 -1.33 0.00 0.00 177.39 178.06 1jw3 h GLU 23 N 0.00 0.17 -0.92 3.23 9.09 -1.96 -2.38 114.58 121.81 1jw3 h GLU 23 Ca 0.00 -0.03 0.06 0.00 0.05 0.00 0.00 59.36 59.44 1jw3 h GLU 23 Cb 0.00 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.01 1jw3 h GLU 23 CO 0.00 0.25 0.59 0.93 0.05 0.00 0.00 179.01 180.83 1jw3 h GLU 24 N 0.17 1.05 -0.12 1.06 4.39 -1.86 -2.45 114.58 116.81 1jw3 h GLU 24 Ca 0.04 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1jw3 h GLU 24 Cb 0.24 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1jw3 h GLU 24 CO 0.01 0.69 -0.37 -0.39 -1.16 0.00 0.00 179.01 177.79 1jw3 h VAL 25 N 1.08 1.38 -0.72 3.13 -1.51 -1.66 -3.24 116.25 114.71 1jw3 h VAL 25 Ca 0.40 -1.69 0.15 0.00 -1.23 0.00 0.00 66.70 64.33 1jw3 h VAL 25 Cb 0.14 2.14 -0.10 0.00 -2.13 0.00 0.00 31.29 31.34 1jw3 h VAL 25 CO -0.17 0.50 0.19 -0.26 -1.23 0.00 0.00 177.57 176.61 1jw3 h PHE 26 N 0.04 0.30 -0.64 5.19 0.04 -1.32 0.90 116.94 121.45 1jw3 h PHE 26 Ca -0.01 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.88 1jw3 h PHE 26 Cb 0.99 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.06 1jw3 h PHE 26 CO 0.11 -0.05 0.29 0.93 -0.60 0.00 0.00 178.31 178.99 1jw3 h GLU 27 N 0.29 0.51 0.00 1.51 5.08 -1.48 -0.42 114.58 120.08 1jw3 h GLU 27 Ca 0.40 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1jw3 h GLU 27 Cb 0.66 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jw3 h GLU 27 CO -0.48 0.34 -0.38 -0.91 -1.00 0.00 0.00 179.01 176.58 1jw3 h ASN 28 N 0.52 0.00 -0.37 1.42 2.35 -0.99 -2.94 115.58 115.58 1jw3 h ASN 28 Ca 0.31 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.17 1jw3 h ASN 28 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1jw3 h ASN 28 CO -0.26 0.38 0.43 0.00 -1.65 0.00 0.00 177.43 176.33 1jw3 h ALA 29 N 1.62 2.04 0.00 -0.83 0.00 0.85 0.30 119.26 123.23 1jw3 h ALA 29 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1jw3 h ALA 29 Cb 0.80 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1jw3 h ALA 29 CO 0.05 -0.62 -2.11 0.00 0.00 0.00 0.00 179.25 176.57 1jw3 n ALA 30 N -2.29 1.88 -0.16 0.00 0.00 -1.12 -4.48 120.51 114.34 1jw3 n ALA 30 Ca 0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 1jw3 n ALA 30 Cb 0.59 -0.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 1jw3 n ALA 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jw3 h LEU 31 N 0.00 0.82 -0.30 0.00 7.12 -0.88 -1.31 115.31 120.76 1jw3 h LEU 31 Ca -0.34 -0.32 0.07 0.00 0.13 0.00 0.00 57.88 57.41 1jw3 h LEU 31 Cb 1.74 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 41.58 1jw3 h LEU 31 CO 0.02 0.94 -0.15 0.00 -0.13 0.00 0.00 178.44 179.12 1jw3 h ALA 32 N 0.91 0.08 -0.10 1.25 0.00 -1.32 0.81 119.26 120.89 1jw3 h ALA 32 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jw3 h ALA 32 Cb 0.54 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jw3 h ALA 32 CO 0.03 -0.55 -0.10 1.98 0.00 0.00 0.00 179.25 180.61 1jw3 h MET 33 N -0.11 0.24 -0.34 0.00 1.85 -1.77 -3.11 114.93 111.69 1jw3 h MET 33 Ca 0.16 -0.13 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1jw3 h MET 33 Cb 0.35 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.37 1jw3 h MET 33 CO -0.37 0.66 0.19 0.35 -0.40 0.00 0.00 176.91 177.34 1jw3 h PHE 34 N -0.18 0.44 -0.87 1.39 3.57 -0.94 0.36 116.94 120.71 1jw3 h PHE 34 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jw3 h PHE 34 Cb 0.62 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1jw3 h PHE 34 CO 0.09 0.31 0.54 0.93 -2.23 0.00 0.00 178.31 177.95 1jw3 h GLU 35 N 0.46 1.18 0.16 1.11 4.39 0.70 -1.90 114.58 120.68 1jw3 h GLU 35 Ca 0.12 -0.10 -0.32 0.00 0.34 0.00 0.00 59.36 59.40 1jw3 h GLU 35 Cb 0.01 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1jw3 h GLU 35 CO -0.02 0.81 -1.63 -0.39 -1.16 0.00 0.00 179.01 176.62 1jw3 h VAL 36 N 1.20 0.96 -0.17 3.13 -1.51 -1.28 -3.32 116.25 115.25 1jw3 h VAL 36 Ca 0.32 -2.46 0.05 0.00 -1.23 0.00 0.00 66.70 63.38 1jw3 h VAL 36 Cb -0.07 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1jw3 h VAL 36 CO -0.06 0.80 0.26 0.24 -1.23 0.00 0.00 177.57 177.58 1jw3 h MET 37 N -0.06 0.00 0.00 5.19 2.86 -0.20 0.31 114.93 123.03 1jw3 h MET 37 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1jw3 h MET 37 Cb 1.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.62 1jw3 h MET 37 CO 0.13 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.73 1jw3 n THR 38 N -3.52 0.00 -2.21 2.22 5.66 -0.72 -4.53 114.28 111.18 1jw3 n THR 38 Ca 0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.70 1jw3 n THR 38 Cb 0.37 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.10 1jw3 n THR 38 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1jw3 s ASP 39 N 0.00 5.57 0.39 1.09 1.47 -1.26 -4.16 116.67 119.77 1jw3 s ASP 39 Ca 0.00 -1.14 0.17 0.00 1.18 0.00 0.00 52.55 52.76 1jw3 s ASP 39 Cb 0.00 -2.57 0.80 0.00 -0.34 0.00 0.00 42.92 40.81 1jw3 s ASP 39 CO 0.00 -2.39 1.82 0.71 0.68 0.00 0.00 175.17 175.99 1jw3 h THR 40 N 6.87 1.04 -0.00 2.11 1.35 -1.82 -2.92 112.91 119.54 1jw3 h THR 40 Ca 0.16 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1jw3 h THR 40 Cb 0.99 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1jw3 h THR 40 CO 1.28 0.34 0.40 0.77 -0.25 0.00 0.00 175.52 178.07 1jw3 h SER 41 N 0.00 0.00 0.55 5.36 4.64 -1.96 0.43 113.55 122.58 1jw3 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jw3 h SER 41 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jw3 h SER 41 CO 0.05 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.90 1jw3 n LEU 42 N -2.85 0.00 -4.30 5.97 -0.00 -1.10 -4.68 117.00 110.04 1jw3 n LEU 42 Ca -0.02 0.42 -0.32 0.00 -0.00 0.00 0.00 56.01 56.10 1jw3 n LEU 42 Cb 0.45 -0.42 -0.16 0.00 -0.00 0.00 0.00 43.42 43.28 1jw3 n LEU 42 CO 0.12 -0.15 -0.54 -0.69 -0.00 0.00 0.00 177.39 176.13 1jw3 s VAL 43 N -2.85 2.25 0.00 1.96 1.01 0.15 -5.08 120.40 117.85 1jw3 s VAL 43 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1jw3 s VAL 43 Cb 0.13 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1jw3 s VAL 43 CO 0.33 0.57 0.00 -0.62 0.00 0.00 0.00 175.10 175.38 1jw3 n GLU 44 N 2.95 0.00 0.00 2.72 -0.58 -1.26 -4.97 120.64 119.51 1jw3 n GLU 44 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1jw3 n GLU 44 Cb 0.52 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 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 -0.55 0.00 -0.08 0.62 0.00 -1.26 -4.71 120.51 114.53 1jw3 n ALA 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jw3 n ALA 45 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1jw3 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw3 n ALA 46 N 0.00 1.53 -2.32 0.00 0.00 -1.26 -4.72 120.51 113.73 1jw3 n ALA 46 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 53.44 52.09 1jw3 n ALA 46 Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.54 1.42 -0.05 0.00 0.41 -1.26 -4.86 118.70 111.82 1jw3 s GLU 47 Ca -0.09 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 52.68 1jw3 s GLU 47 Cb 0.07 -0.25 0.04 0.00 -1.78 0.00 0.00 34.13 32.20 1jw3 s GLU 47 CO 0.83 -0.30 0.11 -2.00 -0.49 0.00 0.00 175.26 173.41 1jw3 s GLU 48 N -4.03 0.03 0.07 1.61 2.12 -1.26 -0.07 118.70 117.18 1jw3 s GLU 48 Ca 0.38 0.35 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1jw3 s GLU 48 Cb 0.08 -0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.20 1jw3 s GLU 48 CO 0.14 -0.20 -0.14 -0.98 -0.54 0.00 0.00 175.26 173.54 1jw3 s ARG 49 N 1.38 0.81 0.00 4.30 1.04 0.47 -4.96 118.95 121.99 1jw3 s ARG 49 Ca -0.06 -0.95 0.06 0.00 -1.04 0.00 0.00 55.73 53.73 1jw3 s ARG 49 Cb -0.12 -0.80 -0.03 0.00 -2.04 0.00 0.00 34.95 31.96 1jw3 s ARG 49 CO -0.05 0.18 -0.17 0.50 -0.04 0.00 0.00 175.30 175.71 1jw3 s ARG 50 N -1.76 2.23 0.09 3.89 3.00 -1.26 0.91 118.95 126.04 1jw3 s ARG 50 Ca -0.02 -0.87 0.08 0.00 -1.00 0.00 0.00 55.73 53.91 1jw3 s ARG 50 Cb -0.10 -2.25 -0.03 0.00 0.00 0.00 0.00 34.95 32.57 1jw3 s ARG 50 CO 0.02 0.57 -0.20 0.08 0.00 0.00 0.00 175.30 175.78 1jw3 s VAL 51 N -0.84 1.60 0.03 7.11 1.01 0.43 -4.98 120.40 124.76 1jw3 s VAL 51 Ca 0.13 -1.44 0.07 0.00 0.00 0.00 0.00 61.98 60.74 1jw3 s VAL 51 Cb -0.10 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1jw3 s VAL 51 CO 0.03 -0.04 -0.20 -1.61 0.00 0.00 0.00 175.10 173.28 1jw3 s GLU 52 N -1.75 1.40 0.03 2.72 2.02 -1.26 0.04 118.70 121.90 1jw3 s GLU 52 Ca 0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1jw3 s GLU 52 Cb -0.10 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 1jw3 s GLU 52 CO 0.03 0.38 -0.04 0.42 0.02 0.00 0.00 175.26 176.08 1jw3 s ILE 53 N -0.70 0.18 -0.23 -1.63 1.01 0.41 -4.96 121.20 115.29 1jw3 s ILE 53 Ca 0.07 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1jw3 s ILE 53 Cb -0.08 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 41.87 1jw3 s ILE 53 CO 0.01 -0.59 -0.14 -0.89 0.00 0.00 0.00 174.94 173.33 1jw3 s THR 54 N -1.95 2.21 0.32 2.92 2.01 -1.26 0.16 115.64 120.04 1jw3 s THR 54 Ca -0.11 -1.29 0.10 0.00 0.31 0.00 0.00 61.69 60.70 1jw3 s THR 54 Cb -0.06 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 1jw3 s THR 54 CO -0.03 0.22 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.45 1jw3 s SER 55 N 1.20 3.59 0.00 3.53 0.15 0.42 -4.89 113.70 117.70 1jw3 s SER 55 Ca -0.02 -1.15 0.03 0.00 0.70 0.00 0.00 55.95 55.51 1jw3 s SER 55 Cb -0.17 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1jw3 s SER 55 CO -0.08 -0.15 0.82 -0.62 1.20 0.00 0.00 173.24 174.41 1jw3 n GLU 56 N -0.72 0.00 -0.25 5.44 1.02 -1.26 0.20 120.64 125.07 1jw3 n GLU 56 Ca -0.05 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1jw3 n GLU 56 Cb 0.62 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 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 0.06 0.00 0.00 1.62 -0.08 -1.26 -4.77 116.55 112.12 1jw3 n ASP 57 Ca -0.06 -0.79 0.00 0.00 -1.51 0.00 0.00 54.79 52.43 1jw3 n ASP 57 Cb 0.68 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.14 1jw3 n ASP 57 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1jw3 n ARG 58 N 0.00 0.00 -0.16 -0.67 0.63 -1.26 -4.12 116.66 111.08 1jw3 n ARG 58 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1jw3 n ARG 58 Cb 0.40 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.37 1jw3 n ARG 58 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1jw3 h VAL 59 N 0.00 0.76 -0.62 5.15 3.04 -1.89 -1.45 116.25 121.24 1jw3 h VAL 59 Ca 0.00 -0.10 0.07 0.00 -1.01 0.00 0.00 66.70 65.66 1jw3 h VAL 59 Cb 0.00 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 29.70 1jw3 h VAL 59 CO 0.00 0.05 0.41 0.28 -1.01 0.00 0.00 177.57 177.30 1jw3 h SER 60 N 0.28 0.51 -0.21 3.17 0.02 -1.85 -2.34 113.55 113.14 1jw3 h SER 60 Ca 0.24 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1jw3 h SER 60 Cb 0.30 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1jw3 h SER 60 CO -0.29 0.33 -0.13 0.25 -1.14 0.00 0.00 176.83 175.85 1jw3 h LEU 61 N 0.58 -0.42 -1.22 5.07 7.12 -1.59 -0.70 115.31 124.16 1jw3 h LEU 61 Ca 0.27 0.09 0.07 0.00 0.13 0.00 0.00 57.88 58.45 1jw3 h LEU 61 Cb 0.32 0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.62 1jw3 h LEU 61 CO -0.08 -0.17 0.56 0.25 -0.13 0.00 0.00 178.44 178.87 1jw3 h LEU 62 N -0.12 0.82 -1.45 2.25 7.12 -1.42 1.40 115.31 123.91 1jw3 h LEU 62 Ca 0.12 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1jw3 h LEU 62 Cb 0.30 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1jw3 h LEU 62 CO -0.29 0.52 0.30 1.88 -0.13 0.00 0.00 178.44 180.73 1jw3 h TYR 63 N 0.93 0.64 0.00 1.25 0.05 -0.99 -2.73 116.97 116.13 1jw3 h TYR 63 Ca 0.37 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.08 1jw3 h TYR 63 Cb 0.26 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1jw3 h TYR 63 CO -0.00 0.43 -1.98 -3.47 -1.05 0.00 0.00 178.16 172.09 1jw3 n ASP 64 N -4.44 0.10 0.17 3.88 2.03 -0.35 -3.63 116.55 114.31 1jw3 n ASP 64 Ca 0.04 0.04 -0.14 0.00 0.52 0.00 0.00 54.79 55.25 1jw3 n ASP 64 Cb 0.07 1.62 -0.08 0.00 -0.72 0.00 0.00 41.12 42.01 1jw3 n ASP 64 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1jw3 h TRP 65 N 0.00 -0.37 -0.13 -0.67 -0.00 0.21 -2.03 115.95 112.95 1jw3 h TRP 65 Ca -0.11 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.89 58.60 1jw3 h TRP 65 Cb 1.26 0.12 0.01 0.00 -0.00 0.00 0.00 29.16 30.55 1jw3 h TRP 65 CO 0.00 -0.14 -0.57 1.25 -0.00 0.00 0.00 178.44 178.99 1jw3 h LEU 66 N -0.54 0.73 -1.59 0.65 6.46 -1.71 -3.02 115.31 116.28 1jw3 h LEU 66 Ca -0.04 -0.62 0.25 0.00 -0.12 0.00 0.00 57.88 57.34 1jw3 h LEU 66 Cb 0.40 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.05 1jw3 h LEU 66 CO 0.07 1.23 0.66 0.44 -0.62 0.00 0.00 178.44 180.22 1jw3 h ASP 67 N 0.27 0.31 -0.22 1.25 3.32 -1.62 1.49 116.42 121.22 1jw3 h ASP 67 Ca -0.03 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1jw3 h ASP 67 Cb 1.20 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1jw3 h ASP 67 CO 0.12 0.09 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.56 1jw3 h GLU 68 N 0.29 0.45 -0.05 3.56 4.57 -1.25 -2.24 114.58 119.91 1jw3 h GLU 68 Ca 0.52 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1jw3 h GLU 68 Cb 1.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1jw3 h GLU 68 CO -0.17 0.72 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.69 1jw3 h LEU 69 N 0.16 0.20 0.19 1.64 -0.00 -0.09 -3.14 115.31 114.27 1jw3 h LEU 69 Ca 0.05 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1jw3 h LEU 69 Cb 0.58 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1jw3 h LEU 69 CO 0.03 0.76 -0.09 0.25 -0.00 0.00 0.00 178.44 179.39 1jw3 h LEU 70 N 0.13 -0.22 0.07 1.67 7.12 0.19 0.30 115.31 124.56 1jw3 h LEU 70 Ca -0.01 -0.13 0.01 0.00 0.13 0.00 0.00 57.88 57.89 1jw3 h LEU 70 Cb 1.12 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1jw3 h LEU 70 CO 0.09 0.00 -0.15 0.15 -0.13 0.00 0.00 178.44 178.40 1jw3 h PHE 71 N -0.44 -0.39 -0.42 1.25 3.04 -1.46 -1.99 116.94 116.53 1jw3 h PHE 71 Ca -0.03 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1jw3 h PHE 71 Cb 0.34 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1jw3 h PHE 71 CO -0.01 -0.23 0.11 -0.84 -2.02 0.00 0.00 178.31 175.33 1jw3 h ILE 72 N -0.29 1.23 -0.49 1.41 -0.00 -1.58 -0.68 117.51 117.10 1jw3 h ILE 72 Ca 0.03 -0.76 0.09 0.00 -0.00 0.00 0.00 64.86 64.22 1jw3 h ILE 72 Cb 0.31 0.93 -0.08 0.00 -0.00 0.00 0.00 36.82 37.99 1jw3 h ILE 72 CO -0.09 0.27 0.03 0.45 -0.00 0.00 0.00 178.15 178.80 1jw3 h HIS 73 N 0.53 0.02 0.00 0.16 3.86 -0.77 -1.48 115.15 117.47 1jw3 h HIS 73 Ca 0.13 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 1jw3 h HIS 73 Cb 0.29 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1jw3 h HIS 73 CO 0.02 -0.08 -0.63 0.22 0.86 0.00 0.00 177.93 178.31 1jw3 h ASP 74 N 0.14 0.00 0.05 2.45 1.82 -1.24 -3.08 116.42 116.56 1jw3 h ASP 74 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1jw3 h ASP 74 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1jw3 h ASP 74 CO -0.39 0.63 0.00 0.35 -1.61 0.00 0.00 179.24 178.22 1jw3 n THR 75 N -3.66 0.36 -2.29 2.25 -2.24 -0.27 -4.77 114.28 103.64 1jw3 n THR 75 Ca -0.01 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1jw3 n THR 75 Cb 0.65 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1jw3 n THR 75 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jw3 n GLU 76 N -1.11 0.00 0.00 -0.78 4.07 -1.16 -5.04 120.64 116.62 1jw3 n GLU 76 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1jw3 n GLU 76 Cb 0.03 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 28.94 1jw3 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1jw3 n PHE 77 N -1.91 0.00 -4.18 4.31 3.72 -1.12 -4.81 117.46 113.47 1jw3 n PHE 77 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1jw3 n PHE 77 Cb 0.50 -0.09 -0.11 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.23 1.05 -0.09 4.37 -0.00 -1.26 -2.71 121.20 122.33 1jw3 s ILE 78 Ca 0.00 -1.46 -0.08 0.00 -0.00 0.00 0.00 60.65 59.11 1jw3 s ILE 78 Cb 0.00 -1.20 -0.28 0.00 -0.00 0.00 0.00 42.46 40.98 1jw3 s ILE 78 CO 0.00 -0.38 0.49 0.25 -0.00 0.00 0.00 174.94 175.30 1jw3 h LEU 79 N 3.95 0.49 -8.75 0.37 5.85 -1.79 -3.44 115.31 111.99 1jw3 h LEU 79 Ca -0.39 -0.94 -0.70 0.00 0.84 0.00 0.00 57.88 56.69 1jw3 h LEU 79 Cb 1.19 -0.16 -0.26 0.00 0.37 0.00 0.00 40.66 41.80 1jw3 h LEU 79 CO 0.46 1.82 -0.88 0.12 -0.34 0.00 0.00 178.44 179.63 1jw3 s PHE 80 N -2.57 2.33 -0.21 1.25 2.19 -1.26 -4.64 117.98 115.08 1jw3 s PHE 80 Ca -0.20 -0.41 -0.12 0.00 0.33 0.00 0.00 56.93 56.54 1jw3 s PHE 80 Cb 0.06 -1.39 0.07 0.00 -1.31 0.00 0.00 43.02 40.44 1jw3 s PHE 80 CO 0.80 0.14 0.51 0.45 1.83 0.00 0.00 175.22 178.95 1jw3 s SER 81 N -1.26 -0.66 -0.09 6.13 0.15 -1.26 -4.39 113.70 112.33 1jw3 s SER 81 Ca 0.12 1.11 -0.24 0.00 0.70 0.00 0.00 55.95 57.63 1jw3 s SER 81 Cb -0.10 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1jw3 s SER 81 CO 0.02 -0.21 0.74 -0.75 1.20 0.00 0.00 173.24 174.24 1jw3 s LYS 82 N 1.43 4.41 -0.23 5.44 2.36 -0.92 -4.87 119.74 127.35 1jw3 s LYS 82 Ca -0.09 0.93 -0.07 0.00 -2.55 0.00 0.00 55.97 54.18 1jw3 s LYS 82 Cb -0.07 -3.48 -0.03 0.00 -1.05 0.00 0.00 37.83 33.20 1jw3 s LYS 82 CO -0.15 -0.03 0.07 -0.06 1.55 0.00 0.00 175.35 176.74 1jw3 s PHE 83 N 1.11 3.13 -0.15 4.03 0.08 -1.26 -3.47 117.98 121.44 1jw3 s PHE 83 Ca 0.38 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 1jw3 s PHE 83 Cb -0.18 -2.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1jw3 s PHE 83 CO 0.17 -0.21 -0.01 -1.59 -0.10 0.00 0.00 175.22 173.48 1jw3 s LYS 84 N 1.30 1.02 0.10 0.44 -2.85 -0.89 -4.74 119.74 114.12 1jw3 s LYS 84 Ca 0.05 -0.35 0.07 0.00 -1.00 0.00 0.00 55.97 54.73 1jw3 s LYS 84 Cb -0.15 -1.81 -0.04 0.00 -2.06 0.00 0.00 37.83 33.77 1jw3 s LYS 84 CO 0.04 -0.47 -0.07 0.14 0.10 0.00 0.00 175.35 175.09 1jw3 s VAL 85 N 1.77 3.53 -0.14 1.79 -7.23 -1.26 0.14 120.40 119.00 1jw3 s VAL 85 Ca 0.01 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1jw3 s VAL 85 Cb -0.15 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.15 1jw3 s VAL 85 CO -0.07 0.11 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.97 1jw3 s LYS 86 N -2.25 1.93 -0.00 4.82 2.36 1.42 -4.77 119.74 123.24 1jw3 s LYS 86 Ca 0.23 -0.48 0.01 0.00 -2.55 0.00 0.00 55.97 53.18 1jw3 s LYS 86 Cb -0.11 -1.96 -0.04 0.00 -1.05 0.00 0.00 37.83 34.68 1jw3 s LYS 86 CO 0.15 -0.29 0.01 0.42 1.55 0.00 0.00 175.35 177.19 1jw3 s ILE 87 N 1.57 4.19 -0.09 5.43 1.01 -1.26 0.20 121.20 132.24 1jw3 s ILE 87 Ca 0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1jw3 s ILE 87 Cb -0.13 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.49 1jw3 s ILE 87 CO -0.09 0.38 -0.05 -1.81 0.00 0.00 0.00 174.94 173.37 1jw3 s ASP 88 N -1.55 1.86 -0.34 3.58 1.01 -1.01 -5.00 116.67 115.23 1jw3 s ASP 88 Ca 0.20 -0.21 -0.10 0.00 0.71 0.00 0.00 52.55 53.14 1jw3 s ASP 88 Cb -0.12 -0.67 0.01 0.00 1.01 0.00 0.00 42.92 43.15 1jw3 s ASP 88 CO 0.10 -0.13 0.17 -1.61 0.21 0.00 0.00 175.17 173.91 1jw3 s GLU 89 N 1.69 3.08 0.00 8.23 2.02 -1.26 -3.41 118.70 129.04 1jw3 s GLU 89 Ca 0.03 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1jw3 s GLU 89 Cb -0.13 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.48 1jw3 s GLU 89 CO -0.06 -0.55 0.00 0.36 0.02 0.00 0.00 175.26 175.03 1jw3 n LYS 90 N 4.98 0.93 0.00 1.61 -0.00 -1.26 -4.97 118.16 119.45 1jw3 n LYS 90 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1jw3 n LYS 90 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 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 -1.77 0.00 0.00 -5.58 8.00 -1.26 -3.97 116.55 111.97 1jw3 n ASP 91 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jw3 n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.74 0.00 -4.47 -2.24 9.92 -1.26 -5.08 116.55 112.68 1jw3 n ASP 92 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 1jw3 n ASP 92 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1jw3 n ASP 92 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1jw3 s GLY 93 N 0.00 1.30 -0.17 0.44 0.00 -1.25 -4.52 107.32 103.11 1jw3 s GLY 93 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 42.80 1jw3 s GLY 93 CO 0.00 2.15 0.39 0.48 0.00 0.00 0.00 173.10 176.12 1jw3 s LEU 94 N 4.31 4.20 -0.05 0.66 2.34 0.54 -4.60 118.68 126.08 1jw3 s LEU 94 Ca 0.24 0.58 -0.04 0.00 0.06 0.00 0.00 54.13 54.97 1jw3 s LEU 94 Cb -0.15 -2.52 -0.04 0.00 -0.56 0.00 0.00 46.19 42.91 1jw3 s LEU 94 CO 0.11 -0.02 0.16 -1.38 -1.06 0.00 0.00 176.35 174.16 1jw3 s HIS 95 N 0.96 3.55 -0.04 3.48 -3.43 -1.22 0.16 115.29 118.74 1jw3 s HIS 95 Ca 0.20 0.41 0.01 0.00 -0.80 0.00 0.00 55.06 54.88 1jw3 s HIS 95 Cb -0.14 -1.86 -0.03 0.00 -1.43 0.00 0.00 32.58 29.11 1jw3 s HIS 95 CO 0.07 0.67 -0.06 -1.17 -2.00 0.00 0.00 174.74 172.26 1jw3 s LEU 96 N -1.57 3.22 -0.19 5.38 0.20 0.41 -2.40 118.68 123.73 1jw3 s LEU 96 Ca 0.22 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.00 1jw3 s LEU 96 Cb -0.12 -1.76 0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1jw3 s LEU 96 CO 0.13 0.33 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.45 1jw3 s THR 97 N -0.89 2.18 0.10 3.68 2.01 0.53 0.15 115.64 123.39 1jw3 s THR 97 Ca 0.14 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1jw3 s THR 97 Cb -0.11 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1jw3 s THR 97 CO 0.04 0.49 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.39 1jw3 s GLY 98 N 1.29 1.37 0.01 4.40 0.00 0.11 0.42 107.32 114.92 1jw3 s GLY 98 Ca 0.04 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.53 1jw3 s GLY 98 CO -0.12 -1.28 -0.24 -1.59 0.00 0.00 0.00 173.10 169.87 1jw3 s THR 99 N -1.04 2.31 -0.03 0.90 2.01 0.37 0.16 115.64 120.32 1jw3 s THR 99 Ca 0.10 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.91 1jw3 s THR 99 Cb -0.10 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1jw3 s THR 99 CO 0.04 0.45 -0.04 0.00 -0.69 0.00 0.00 174.62 174.38 1jw3 s ALA 100 N -0.76 0.56 0.12 7.40 0.00 0.26 -2.10 121.76 127.24 1jw3 s ALA 100 Ca 0.12 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1jw3 s ALA 100 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1jw3 s ALA 100 CO 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 175.76 175.67 1jw3 s MET 101 N 0.62 0.98 0.00 0.00 0.23 -1.23 0.18 119.30 120.08 1jw3 s MET 101 Ca -0.08 -1.24 0.00 0.00 -1.03 0.00 0.00 55.69 53.35 1jw3 s MET 101 Cb -0.11 -0.77 0.00 0.00 -1.53 0.00 0.00 34.83 32.42 1jw3 s MET 101 CO -0.00 0.14 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 1jw3 n GLY 102 N 0.47 0.71 3.57 3.16 0.00 0.90 -2.18 105.19 111.83 1jw3 n GLY 102 Ca -0.15 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1jw3 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jw3 s GLU 103 N -0.96 3.73 0.00 1.61 2.12 -1.26 -4.10 118.70 119.84 1jw3 s GLU 103 Ca 0.00 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1jw3 s GLU 103 Cb 0.00 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1jw3 s GLU 103 CO 0.00 -0.60 0.00 -1.91 -0.54 0.00 0.00 175.26 172.21 1jw3 n GLU 104 N 5.77 0.00 -2.38 4.30 2.13 -1.26 -4.58 120.64 124.63 1jw3 n GLU 104 Ca -0.04 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.37 1jw3 n GLU 104 Cb 0.49 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.16 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 3.52 0.01 6.31 -1.16 -1.10 -4.34 121.20 124.45 1jw3 s ILE 105 Ca 0.00 1.32 0.08 0.00 -0.51 0.00 0.00 60.65 61.54 1jw3 s ILE 105 Cb 0.00 -3.84 -0.02 0.00 0.61 0.00 0.00 42.46 39.21 1jw3 s ILE 105 CO 0.00 0.23 -0.23 -0.75 -2.81 0.00 0.00 174.94 171.38 1jw3 s LYS 106 N -0.46 1.72 -0.45 3.50 2.20 -1.26 -4.89 119.74 120.09 1jw3 s LYS 106 Ca 0.52 -0.92 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 1jw3 s LYS 106 Cb -0.33 -1.76 -0.11 0.00 -1.51 0.00 0.00 37.83 34.13 1jw3 s LYS 106 CO 0.38 0.47 2.32 0.39 -0.36 0.00 0.00 175.35 178.55 1jw3 n GLU 107 N 2.16 1.05 -3.16 4.03 4.71 -1.26 -0.57 120.64 127.60 1jw3 n GLU 107 Ca -0.16 0.21 -0.17 0.00 -0.01 0.00 0.00 57.16 57.03 1jw3 n GLU 107 Cb 0.52 -2.70 0.05 0.00 -1.01 0.00 0.00 31.44 28.31 1jw3 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jw3 n GLY 108 N 6.30 -0.17 3.59 0.62 0.00 -1.26 -4.93 105.19 109.34 1jw3 n GLY 108 Ca 0.42 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.17 2.43 0.12 1.61 2.46 0.26 -4.59 115.29 114.41 1jw3 s HIS 109 Ca 0.37 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.50 1jw3 s HIS 109 Cb -0.16 -4.37 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 1jw3 s HIS 109 CO 0.46 -1.85 0.00 0.39 -2.47 0.00 0.00 174.74 171.27 1jw3 n GLU 110 N 8.27 -5.39 -4.47 2.88 -0.58 -1.26 -4.84 120.64 115.25 1jw3 n GLU 110 Ca 0.14 3.86 -0.34 0.00 -0.42 0.00 0.00 57.16 60.40 1jw3 n GLU 110 Cb 0.49 -4.46 -0.11 0.00 -0.57 0.00 0.00 31.44 26.78 1jw3 n GLU 110 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jw3 s ARG 111 N -0.65 3.07 0.08 3.49 1.81 -1.26 -4.43 118.95 121.06 1jw3 s ARG 111 Ca 0.00 -0.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 1jw3 s ARG 111 Cb 0.00 -2.75 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 1jw3 s ARG 111 CO 0.00 0.58 0.00 -2.13 -0.68 0.00 0.00 175.30 173.07 1jw3 n ARG 112 N 2.51 0.00 -4.46 3.54 0.00 -1.26 -4.84 116.66 112.15 1jw3 n ARG 112 Ca -0.18 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.45 1jw3 n ARG 112 Cb 0.53 -0.01 -0.14 0.00 0.00 0.00 0.00 32.46 32.84 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 -4.36 1.91 -0.31 6.15 2.15 0.11 -5.02 116.67 117.31 1jw3 s ASP 113 Ca 0.00 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.55 1jw3 s ASP 113 Cb 0.00 -0.14 0.09 0.00 -0.30 0.00 0.00 42.92 42.56 1jw3 s ASP 113 CO 0.00 0.08 -0.00 -0.70 -0.17 0.00 0.00 175.17 174.38 1jw3 s GLU 114 N -1.11 1.68 -0.25 4.34 2.12 -1.26 -4.17 118.70 120.05 1jw3 s GLU 114 Ca 0.04 -1.62 -0.13 0.00 0.36 0.00 0.00 54.97 53.61 1jw3 s GLU 114 Cb -0.08 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1jw3 s GLU 114 CO 0.01 -0.81 0.29 0.14 -0.54 0.00 0.00 175.26 174.35 1jw3 s VAL 115 N 1.03 5.25 -1.13 3.70 -7.23 -1.24 -4.81 120.40 115.97 1jw3 s VAL 115 Ca 0.04 0.42 0.10 0.00 -1.81 0.00 0.00 61.98 60.73 1jw3 s VAL 115 Cb -0.19 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.25 1jw3 s VAL 115 CO -0.08 0.24 1.30 2.29 -0.31 0.00 0.00 175.10 178.55 1jw3 n LYS 116 N 4.85 0.05 -3.58 4.82 -0.00 -0.86 -4.84 118.16 118.59 1jw3 n LYS 116 Ca -0.11 0.28 0.02 0.00 -0.00 0.00 0.00 58.31 58.50 1jw3 n LYS 116 Cb 0.51 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.04 1jw3 n LYS 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jw3 s ALA 117 N -2.87 -2.43 -0.28 0.58 0.00 -1.25 -4.99 121.76 110.52 1jw3 s ALA 117 Ca 0.07 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1jw3 s ALA 117 Cb 0.07 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1jw3 s ALA 117 CO 0.18 -0.91 -0.05 0.08 0.00 0.00 0.00 175.76 175.05 1jw3 s VAL 118 N -2.02 2.46 -0.35 0.00 1.01 -1.26 0.16 120.40 120.40 1jw3 s VAL 118 Ca 0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 1jw3 s VAL 118 Cb 0.05 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 34.04 1jw3 s VAL 118 CO -0.05 -0.13 0.08 -0.89 0.00 0.00 0.00 175.10 174.11 1jw3 s THR 119 N 1.13 2.90 -0.46 3.92 2.01 -1.05 -4.91 115.64 119.18 1jw3 s THR 119 Ca -0.05 -1.84 -0.42 0.00 0.31 0.00 0.00 61.69 59.68 1jw3 s THR 119 Cb -0.20 -2.88 -0.17 0.00 0.01 0.00 0.00 72.50 69.26 1jw3 s THR 119 CO -0.04 -0.41 2.11 2.22 -0.69 0.00 0.00 174.62 177.80 1jw3 n PHE 120 N 4.53 1.31 -0.29 4.92 1.16 -1.24 -3.58 117.46 124.27 1jw3 n PHE 120 Ca -0.06 0.69 0.03 0.00 -1.87 0.00 0.00 57.45 56.23 1jw3 n PHE 120 Cb 0.42 -2.34 0.16 0.00 -1.61 0.00 0.00 39.48 36.11 1jw3 n PHE 120 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1jw3 h HIS 121 N 9.39 0.83 0.00 2.97 -0.00 -1.74 -3.42 115.15 123.18 1jw3 h HIS 121 Ca -0.17 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1jw3 h HIS 121 Cb 1.39 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1jw3 h HIS 121 CO 0.95 0.34 0.00 -0.12 -0.00 0.00 0.00 177.93 179.10 1jw3 n MET 122 N -4.75 0.00 -3.35 5.26 1.56 -1.23 -4.88 117.12 109.73 1jw3 n MET 122 Ca 0.13 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.44 1jw3 n MET 122 Cb 0.27 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.64 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 -0.82 -1.49 -3.60 2.12 2.81 0.37 -4.87 117.12 111.64 1jw3 n MET 123 Ca 0.00 1.24 -0.16 0.00 -1.81 0.00 0.00 57.70 56.97 1jw3 n MET 123 Cb 0.00 -4.25 -0.07 0.00 -0.71 0.00 0.00 33.22 28.19 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 -3.72 0.91 -0.36 0.03 -1.05 -1.26 -3.66 118.70 109.59 1jw3 s GLU 124 Ca 0.03 0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 55.11 1jw3 s GLU 124 Cb -0.01 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1jw3 s GLU 124 CO 0.81 -0.23 0.40 0.42 0.95 0.00 0.00 175.26 177.62 1jw3 s ILE 125 N -0.69 5.13 -0.13 1.83 1.01 -1.25 -3.16 121.20 123.93 1jw3 s ILE 125 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1jw3 s ILE 125 Cb -0.02 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1jw3 s ILE 125 CO 0.06 -0.19 0.08 -0.22 0.00 0.00 0.00 174.94 174.67 1jw3 s LEU 126 N 2.11 3.97 -0.25 2.97 0.20 0.31 -4.80 118.68 123.17 1jw3 s LEU 126 Ca 0.13 0.24 -0.14 0.00 0.69 0.00 0.00 54.13 55.05 1jw3 s LEU 126 Cb -0.16 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.59 1jw3 s LEU 126 CO 0.12 0.32 0.32 -1.81 -0.29 0.00 0.00 176.35 175.01 1jw3 s ASP 127 N -0.49 6.24 -0.10 3.68 1.11 -1.26 -0.25 116.67 125.60 1jw3 s ASP 127 Ca 0.10 0.27 0.02 0.00 0.18 0.00 0.00 52.55 53.13 1jw3 s ASP 127 Cb -0.12 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.70 1jw3 s ASP 127 CO 0.02 -0.11 -0.16 -1.83 1.18 0.00 0.00 175.17 174.27 1jw3 s GLU 128 N 1.73 2.22 -2.20 8.23 4.04 0.26 -4.69 118.70 128.29 1jw3 s GLU 128 Ca 0.14 -0.57 0.00 0.00 0.04 0.00 0.00 54.97 54.57 1jw3 s GLU 128 Cb -0.15 -1.85 0.00 0.00 0.02 0.00 0.00 34.13 32.15 1jw3 s GLU 128 CO 0.09 -0.02 0.00 -3.47 -1.84 0.00 0.00 175.26 170.02 1jw3 n ASP 129 N 4.05 -5.55 0.00 0.83 -0.08 -1.26 0.59 116.55 115.13 1jw3 n ASP 129 Ca -0.20 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1jw3 n ASP 129 Cb 0.52 -4.88 0.00 0.00 2.34 0.00 0.00 41.12 39.10 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 -0.43 0.80 3.89 0.27 0.00 -1.26 -5.04 105.19 103.42 1jw3 n GLY 130 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1jw3 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jw3 s LEU 131 N 0.00 4.35 -0.15 0.99 1.43 0.20 -5.00 118.68 120.50 1jw3 s LEU 131 Ca 0.00 0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1jw3 s LEU 131 Cb 0.00 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1jw3 s LEU 131 CO 0.00 0.21 0.14 0.27 0.23 0.00 0.00 176.35 177.20 1jw3 s ILE 132 N -1.39 5.47 -0.02 -0.59 -0.00 -1.26 0.92 121.20 124.32 1jw3 s ILE 132 Ca 0.31 0.21 0.02 0.00 -0.00 0.00 0.00 60.65 61.18 1jw3 s ILE 132 Cb -0.13 -3.43 0.00 0.00 -0.00 0.00 0.00 42.46 38.90 1jw3 s ILE 132 CO 0.19 0.54 -0.06 -0.54 -0.00 0.00 0.00 174.94 175.07 1jw3 s LYS 133 N -0.45 0.68 0.03 0.37 1.02 0.65 0.96 119.74 123.01 1jw3 s LYS 133 Ca 0.12 -0.21 0.08 0.00 0.02 0.00 0.00 55.97 55.97 1jw3 s LYS 133 Cb -0.12 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 1jw3 s LYS 133 CO 0.02 0.08 -0.21 0.00 -0.92 0.00 0.00 175.35 174.32 1jw3 s ALA 134 N 0.17 2.47 -0.10 5.17 0.00 -0.23 0.11 121.76 129.35 1jw3 s ALA 134 Ca -0.02 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1jw3 s ALA 134 Cb -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1jw3 s ALA 134 CO -0.00 0.56 -0.07 -0.98 0.00 0.00 0.00 175.76 175.26 1jw3 s ARG 135 N -1.26 1.42 -0.15 0.00 1.70 -1.19 -1.97 118.95 117.51 1jw3 s ARG 135 Ca 0.13 -0.23 -0.01 0.00 -0.47 0.00 0.00 55.73 55.15 1jw3 s ARG 135 Cb -0.10 -1.47 0.04 0.00 -0.57 0.00 0.00 34.95 32.85 1jw3 s ARG 135 CO 0.03 -0.22 -0.05 0.08 -1.08 0.00 0.00 175.30 174.06 1jw3 s VAL 136 N 1.56 0.99 0.17 4.99 1.01 -0.77 -0.48 120.40 127.87 1jw3 s VAL 136 Ca 0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 1jw3 s VAL 136 Cb -0.13 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 1jw3 s VAL 136 CO -0.06 0.17 0.72 -0.63 0.00 0.00 0.00 175.10 175.29 1jw3 s ILE 137 N 1.69 4.51 0.09 2.22 -1.09 -1.23 -1.07 121.20 126.32 1jw3 s ILE 137 Ca 0.02 1.46 0.06 0.00 -2.23 0.00 0.00 60.65 59.96 1jw3 s ILE 137 Cb -0.15 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1jw3 s ILE 137 CO -0.08 0.42 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.14 1jw3 s LEU 138 N -1.42 2.31 0.13 2.97 2.01 0.74 -2.52 118.68 122.89 1jw3 s LEU 138 Ca 0.37 -0.67 -0.27 0.00 0.01 0.00 0.00 54.13 53.56 1jw3 s LEU 138 Cb -0.20 -0.63 -0.07 0.00 0.01 0.00 0.00 46.19 45.30 1jw3 s LEU 138 CO 0.23 -0.05 0.85 -0.62 1.01 0.00 0.00 176.35 177.77 1jw3 s ASP 139 N -1.93 7.41 0.00 2.29 -1.08 0.41 0.22 116.67 124.00 1jw3 s ASP 139 Ca 0.03 1.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 1jw3 s ASP 139 Cb -0.09 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1jw3 s ASP 139 CO 0.03 0.07 0.01 -0.11 0.52 0.00 0.00 175.17 175.69