#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw0 n SER 3 N 0.00 -0.03 0.05 0.00 7.64 -1.26 0.72 113.62 120.74 3jw0 n SER 3 Ca 0.00 0.73 -0.20 0.00 1.01 0.00 0.00 58.87 60.41 3jw0 n SER 3 Cb 0.00 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.73 3jw0 n SER 3 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3jw0 h LYS 4 N 0.00 0.46 0.38 1.43 3.64 -2.04 -2.54 116.57 117.91 3jw0 h LYS 4 Ca 0.01 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 3jw0 h LYS 4 Cb 0.01 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3jw0 h LYS 4 CO -0.03 1.26 -0.26 -0.09 -2.27 0.00 0.00 179.45 178.06 3jw0 h ARG 5 N -0.04 -0.60 -0.53 1.90 9.65 -1.92 -1.63 114.38 121.20 3jw0 h ARG 5 Ca -0.14 0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.71 3jw0 h ARG 5 Cb 1.65 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 30.35 3jw0 h ARG 5 CO 0.18 -0.40 0.06 0.82 2.80 0.00 0.00 179.97 183.43 3jw0 h ILE 6 N -0.63 1.26 -0.32 1.20 2.04 0.17 -2.07 117.51 119.15 3jw0 h ILE 6 Ca -0.04 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3jw0 h ILE 6 Cb 0.53 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3jw0 h ILE 6 CO 0.02 0.36 0.15 0.45 0.00 0.00 0.00 178.15 179.13 3jw0 h HIS 7 N 0.77 0.47 0.00 1.37 3.86 -1.42 -2.40 115.15 117.80 3jw0 h HIS 7 Ca 0.16 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 3jw0 h HIS 7 Cb 0.44 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3jw0 h HIS 7 CO 0.03 0.41 -0.33 -0.22 0.86 0.00 0.00 177.93 178.69 3jw0 h LYS 8 N 0.38 0.00 -0.27 2.45 3.64 -1.23 -2.41 116.57 119.13 3jw0 h LYS 8 Ca 0.11 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3jw0 h LYS 8 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3jw0 h LYS 8 CO -0.01 0.33 -0.22 1.49 -2.27 0.00 0.00 179.45 178.77 3jw0 h GLU 9 N 0.00 0.50 -0.32 1.90 4.81 -1.01 -2.73 114.58 117.73 3jw0 h GLU 9 Ca -0.00 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 3jw0 h GLU 9 Cb 0.60 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3jw0 h GLU 9 CO 0.04 0.69 -0.41 1.25 -0.73 0.00 0.00 179.01 179.85 3jw0 h LEU 10 N 0.44 0.84 -0.79 1.64 5.85 -0.95 -3.02 115.31 119.31 3jw0 h LEU 10 Ca 0.07 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.29 3jw0 h LEU 10 Cb 0.63 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3jw0 h LEU 10 CO 0.04 1.14 -0.33 0.78 -0.34 0.00 0.00 178.44 179.73 3jw0 h ASN 11 N 0.63 0.55 0.52 1.25 -0.26 -1.35 0.16 115.58 117.08 3jw0 h ASN 11 Ca 0.05 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3jw0 h ASN 11 Cb 0.97 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3jw0 h ASN 11 CO 0.09 0.84 -0.07 0.44 -1.06 0.00 0.00 177.43 177.67 3jw0 h ASP 12 N 0.45 0.00 0.84 5.81 3.32 -1.41 0.37 116.42 125.80 3jw0 h ASP 12 Ca 0.05 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3jw0 h ASP 12 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3jw0 h ASP 12 CO 0.06 0.07 -1.24 -0.07 -1.72 0.00 0.00 179.24 176.35 3jw0 h LEU 13 N 0.00 0.00 -1.72 1.55 3.38 -1.21 -1.85 115.31 115.46 3jw0 h LEU 13 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jw0 h LEU 13 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jw0 h LEU 13 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3jw0 n ALA 14 N -2.33 2.47 0.00 1.53 0.00 0.61 -2.07 120.51 120.72 3jw0 n ALA 14 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3jw0 n ALA 14 Cb 0.76 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3jw0 n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3jw0 n ARG 15 N 0.93 2.07 -2.87 0.00 -4.01 0.98 -4.89 116.66 108.88 3jw0 n ARG 15 Ca 0.17 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.87 3jw0 n ARG 15 Cb 0.48 -0.84 0.05 0.00 -3.04 0.00 0.00 32.46 29.10 3jw0 n ARG 15 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 3jw0 n ASP 16 N -1.13 -0.83 -4.60 2.89 2.03 -0.69 -5.06 116.55 109.16 3jw0 n ASP 16 Ca 0.00 -3.20 -0.48 0.00 0.52 0.00 0.00 54.79 51.62 3jw0 n ASP 16 Cb 0.07 0.70 -0.04 0.00 -0.72 0.00 0.00 41.12 41.13 3jw0 n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3jw0 n PRO 17 N 0.16 1.35 -0.64 -0.67 -0.04 -0.88 -4.68 135.00 129.60 3jw0 n PRO 17 Ca 0.11 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.76 3jw0 n PRO 17 Cb 0.72 -2.04 0.20 0.00 -0.04 0.00 0.00 33.50 32.34 3jw0 n PRO 17 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3jw0 s PRO 18 N -0.20 0.16 0.19 0.54 0.04 -1.25 -4.94 135.00 129.55 3jw0 s PRO 18 Ca 0.74 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3jw0 s PRO 18 Cb -0.83 -1.65 -0.08 0.00 0.04 0.00 0.00 34.50 31.98 3jw0 s PRO 18 CO 0.50 -3.11 1.14 0.00 0.04 0.00 0.00 177.00 175.58 3jw0 s ALA 19 N -2.57 3.40 -1.04 8.56 0.00 -1.26 -3.28 121.76 125.58 3jw0 s ALA 19 Ca 0.67 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3jw0 s ALA 19 Cb -0.24 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3jw0 s ALA 19 CO 0.61 -0.28 0.00 1.04 0.00 0.00 0.00 175.76 177.13 3jw0 n GLN 20 N 2.34 -1.39 -3.69 0.00 1.13 -1.26 -4.90 117.38 109.62 3jw0 n GLN 20 Ca 0.03 0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 55.80 3jw0 n GLN 20 Cb 0.45 -5.03 -0.11 0.00 0.11 0.00 0.00 30.24 25.66 3jw0 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jw0 s SER 22 N 1.64 2.05 -0.02 0.00 1.04 -1.14 -3.78 113.70 113.49 3jw0 s SER 22 Ca -0.08 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 3jw0 s SER 22 Cb -0.09 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.87 3jw0 s SER 22 CO -0.13 0.14 0.25 0.00 0.98 0.00 0.00 173.24 174.47 3jw0 s ALA 23 N -0.67 -0.61 0.13 5.32 0.00 -1.26 -2.06 121.76 122.61 3jw0 s ALA 23 Ca 0.05 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 3jw0 s ALA 23 Cb -0.08 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.14 3jw0 s ALA 23 CO 0.01 -0.23 0.97 0.20 0.00 0.00 0.00 175.76 176.71 3jw0 s GLY 24 N -1.17 -0.27 0.16 0.00 0.00 -1.06 -4.93 107.32 100.06 3jw0 s GLY 24 Ca -0.12 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.54 3jw0 s GLY 24 CO 0.03 0.05 1.33 -4.14 0.00 0.00 0.00 173.10 170.37 3jw0 s PRO 25 N -3.23 4.37 -0.48 2.90 0.02 -1.26 -0.74 135.00 136.58 3jw0 s PRO 25 Ca 0.11 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 3jw0 s PRO 25 Cb -0.01 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3jw0 s PRO 25 CO 0.01 -0.32 1.52 0.08 -0.33 0.00 0.00 177.00 177.95 3jw0 s VAL 26 N 0.54 3.74 0.00 3.83 1.01 -0.16 -4.65 120.40 124.70 3jw0 s VAL 26 Ca 0.60 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3jw0 s VAL 26 Cb -0.36 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3jw0 s VAL 26 CO 0.35 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 175.17 3jw0 n GLY 27 N 5.27 2.85 0.00 4.51 0.00 -1.26 -3.87 105.19 112.68 3jw0 n GLY 27 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3jw0 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jw0 n ASP 28 N 9.11 4.25 -4.72 1.61 8.00 -1.26 -5.03 116.55 128.51 3jw0 n ASP 28 Ca 0.00 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 3jw0 n ASP 28 Cb 0.00 0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 3jw0 n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3jw0 s ASP 29 N -1.72 6.84 0.50 -2.24 2.15 -1.25 -4.92 116.67 116.03 3jw0 s ASP 29 Ca 0.00 2.31 0.29 0.00 0.43 0.00 0.00 52.55 55.58 3jw0 s ASP 29 Cb 0.00 -2.59 1.16 0.00 -0.30 0.00 0.00 42.92 41.19 3jw0 s ASP 29 CO 0.00 -0.64 1.91 0.24 -0.17 0.00 0.00 175.17 176.52 3jw0 h MET 30 N 6.73 0.00 -0.01 4.34 2.86 -1.96 -3.26 114.93 123.63 3jw0 h MET 30 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 3jw0 h MET 30 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3jw0 h MET 30 CO 0.86 0.10 -0.02 1.19 1.06 0.00 0.00 176.91 180.10 3jw0 n PHE 31 N -3.24 0.00 -3.97 -0.22 3.72 -1.26 -4.74 117.46 107.75 3jw0 n PHE 31 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 3jw0 n PHE 31 Cb 0.36 -0.02 -0.17 0.00 -0.94 0.00 0.00 39.48 38.71 3jw0 n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3jw0 s HIS 32 N -2.06 1.76 0.07 1.38 3.76 -1.23 -0.92 115.29 118.05 3jw0 s HIS 32 Ca 0.41 -0.93 0.10 0.00 -0.15 0.00 0.00 55.06 54.49 3jw0 s HIS 32 Cb 0.21 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.50 3jw0 s HIS 32 CO 0.37 -0.57 -0.26 -1.58 -0.85 0.00 0.00 174.74 171.84 3jw0 s TRP 33 N 1.60 2.30 0.19 1.40 0.52 0.58 -0.99 118.94 124.54 3jw0 s TRP 33 Ca 0.05 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.75 3jw0 s TRP 33 Cb -0.13 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 3jw0 s TRP 33 CO -0.09 0.20 0.38 -1.14 0.02 0.00 0.00 176.95 176.32 3jw0 s GLN 34 N -1.53 3.52 -0.10 4.98 0.74 0.08 -1.46 119.66 125.90 3jw0 s GLN 34 Ca 0.12 -0.33 -0.12 0.00 0.05 0.00 0.00 55.36 55.08 3jw0 s GLN 34 Cb -0.10 -2.85 0.03 0.00 1.10 0.00 0.00 33.01 31.19 3jw0 s GLN 34 CO 0.03 0.42 0.33 0.00 -0.55 0.00 0.00 175.29 175.52 3jw0 s ALA 35 N -1.83 -0.82 -0.01 1.58 0.00 -0.54 -2.56 121.76 117.59 3jw0 s ALA 35 Ca 0.38 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.15 3jw0 s ALA 35 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3jw0 s ALA 35 CO 0.28 -0.19 -0.10 0.95 0.00 0.00 0.00 175.76 176.71 3jw0 s THR 36 N -0.23 0.80 -0.15 0.00 -4.23 -0.87 0.73 115.64 111.69 3jw0 s THR 36 Ca -0.04 -0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 3jw0 s THR 36 Cb -0.03 -0.67 0.05 0.00 1.34 0.00 0.00 72.50 73.18 3jw0 s THR 36 CO 0.01 0.22 0.03 -0.63 -0.54 0.00 0.00 174.62 173.71 3jw0 s ILE 37 N -0.25 0.43 -0.20 2.99 1.01 0.15 -2.90 121.20 122.45 3jw0 s ILE 37 Ca 0.04 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3jw0 s ILE 37 Cb -0.04 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3jw0 s ILE 37 CO -0.00 -0.04 1.67 -0.04 0.00 0.00 0.00 174.94 176.52 3jw0 s MET 38 N 1.92 3.80 -0.31 2.79 -1.94 -0.41 -2.58 119.30 122.56 3jw0 s MET 38 Ca 0.01 1.77 -0.39 0.00 -1.71 0.00 0.00 55.69 55.37 3jw0 s MET 38 Cb -0.15 -4.06 -0.15 0.00 2.01 0.00 0.00 34.83 32.48 3jw0 s MET 38 CO -0.07 -1.29 1.89 0.41 -0.01 0.00 0.00 175.02 175.95 3jw0 n GLY 39 N 4.68 0.70 3.50 -0.03 0.00 0.70 -4.82 105.19 109.92 3jw0 n GLY 39 Ca 0.19 0.95 -0.44 0.00 0.00 0.00 0.00 46.02 46.72 3jw0 n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jw0 n PRO 40 N 6.29 0.75 -1.98 1.61 -0.04 -1.26 -3.70 135.00 136.66 3jw0 n PRO 40 Ca 0.32 0.27 -0.34 0.00 -0.04 0.00 0.00 63.50 63.71 3jw0 n PRO 40 Cb 0.14 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3jw0 n PRO 40 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3jw0 s ASN 41 N -0.80 5.41 -1.14 3.54 -0.87 -1.26 -3.82 114.94 116.00 3jw0 s ASN 41 Ca 0.61 2.06 -0.01 0.00 -1.57 0.00 0.00 52.86 53.95 3jw0 s ASN 41 Cb -0.73 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 37.93 3jw0 s ASN 41 CO 0.58 -1.43 0.96 0.47 -2.57 0.00 0.00 177.10 175.11 3jw0 n ASP 42 N -1.93 -2.84 -3.59 -1.22 8.00 -1.26 -4.99 116.55 108.73 3jw0 n ASP 42 Ca 0.11 -0.62 -0.16 0.00 0.71 0.00 0.00 54.79 54.83 3jw0 n ASP 42 Cb 0.52 -5.01 -0.06 0.00 -0.02 0.00 0.00 41.12 36.54 3jw0 n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3jw0 s SER 43 N -4.15 -0.49 0.00 -2.24 1.04 -1.25 -5.02 113.70 101.59 3jw0 s SER 43 Ca 0.08 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.90 3jw0 s SER 43 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3jw0 s SER 43 CO 0.71 -0.62 0.13 -0.81 0.98 0.00 0.00 173.24 173.64 3jw0 n PRO 44 N 0.80 0.14 -0.07 4.02 -0.04 -1.26 -1.61 135.00 136.97 3jw0 n PRO 44 Ca -0.19 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.29 3jw0 n PRO 44 Cb 0.58 -1.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.10 3jw0 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3jw0 n TYR 45 N -0.46 0.20 -1.63 0.54 4.02 -1.26 -3.49 117.16 115.08 3jw0 n TYR 45 Ca 0.00 -0.45 -0.52 0.00 -0.01 0.00 0.00 57.90 56.91 3jw0 n TYR 45 Cb 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.23 3jw0 n TYR 45 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3jw0 n GLN 46 N 0.01 1.32 -0.85 -0.72 7.27 -0.63 -1.45 117.38 122.32 3jw0 n GLN 46 Ca 0.05 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.60 3jw0 n GLN 46 Cb 0.31 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 30.81 3jw0 n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3jw0 n GLY 47 N 3.07 0.60 3.91 1.69 0.00 -1.24 -5.01 105.19 108.21 3jw0 n GLY 47 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3jw0 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jw0 s GLY 48 N -1.99 2.11 -0.25 -0.02 0.00 -0.53 -4.83 107.32 101.82 3jw0 s GLY 48 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3jw0 s GLY 48 CO 0.00 -0.68 -0.11 0.14 0.00 0.00 0.00 173.10 172.45 3jw0 s VAL 49 N -1.65 2.03 -0.11 1.40 1.01 -0.90 -0.21 120.40 121.97 3jw0 s VAL 49 Ca 0.38 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3jw0 s VAL 49 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3jw0 s VAL 49 CO 0.27 0.02 -0.01 -0.36 0.00 0.00 0.00 175.10 175.02 3jw0 s PHE 50 N 1.18 3.12 0.08 5.22 0.08 -1.07 -4.68 117.98 121.92 3jw0 s PHE 50 Ca -0.07 0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.08 3jw0 s PHE 50 Cb -0.19 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3jw0 s PHE 50 CO -0.06 0.31 0.02 -0.06 -0.10 0.00 0.00 175.22 175.33 3jw0 s PHE 51 N -0.46 3.05 0.19 0.36 0.40 -1.26 0.35 117.98 120.61 3jw0 s PHE 51 Ca 0.08 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 3jw0 s PHE 51 Cb -0.12 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 3jw0 s PHE 51 CO 0.02 0.49 -0.00 -0.51 0.70 0.00 0.00 175.22 175.92 3jw0 s LEU 52 N -2.28 2.13 -0.20 -0.37 1.02 0.22 -0.97 118.68 118.24 3jw0 s LEU 52 Ca 0.26 -1.19 0.01 0.00 0.02 0.00 0.00 54.13 53.24 3jw0 s LEU 52 Cb -0.12 -0.12 0.04 0.00 0.02 0.00 0.00 46.19 46.01 3jw0 s LEU 52 CO 0.19 -0.55 -0.13 -0.89 0.02 0.00 0.00 176.35 174.99 3jw0 s THR 53 N -3.58 1.80 -0.20 5.49 2.01 0.15 -1.46 115.64 119.84 3jw0 s THR 53 Ca 0.25 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 3jw0 s THR 53 Cb 0.06 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 3jw0 s THR 53 CO 0.05 0.26 0.12 -0.63 -0.69 0.00 0.00 174.62 173.73 3jw0 s ILE 54 N 1.34 5.21 -0.22 1.82 1.01 -0.54 -2.09 121.20 127.74 3jw0 s ILE 54 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3jw0 s ILE 54 Cb -0.16 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 38.99 3jw0 s ILE 54 CO -0.09 0.43 -0.08 -2.28 0.00 0.00 0.00 174.94 172.92 3jw0 s HIS 55 N 0.53 2.44 -0.31 3.97 5.65 -0.38 -0.30 115.29 126.89 3jw0 s HIS 55 Ca 0.06 -1.71 -0.25 0.00 0.25 0.00 0.00 55.06 53.42 3jw0 s HIS 55 Cb -0.12 -1.62 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 3jw0 s HIS 55 CO -0.00 -0.76 0.84 -0.06 -0.65 0.00 0.00 174.74 174.11 3jw0 s PHE 56 N 1.38 3.20 0.90 3.88 0.40 -0.10 -2.24 117.98 125.40 3jw0 s PHE 56 Ca -0.04 0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 57.07 3jw0 s PHE 56 Cb -0.18 -3.30 0.13 0.00 0.51 0.00 0.00 43.02 40.19 3jw0 s PHE 56 CO -0.07 -0.60 1.09 -1.25 0.70 0.00 0.00 175.22 175.10 3jw0 s PRO 57 N 3.08 1.20 0.63 0.24 0.04 -1.26 -4.78 135.00 134.15 3jw0 s PRO 57 Ca 0.35 0.96 0.41 0.00 0.04 0.00 0.00 61.00 62.76 3jw0 s PRO 57 Cb -0.14 -1.79 2.10 0.00 0.04 0.00 0.00 34.50 34.71 3jw0 s PRO 57 CO 0.13 -2.32 2.25 1.79 0.04 0.00 0.00 177.00 178.89 3jw0 h THR 58 N -1.61 0.00 -0.23 1.26 1.35 -1.98 -2.14 112.91 109.56 3jw0 h THR 58 Ca -0.49 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3jw0 h THR 58 Cb 1.28 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3jw0 h THR 58 CO 0.52 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.26 3jw0 n ASP 59 N -3.08 1.87 -4.77 5.36 8.00 -1.26 -4.92 116.55 117.75 3jw0 n ASP 59 Ca -0.02 -1.79 -0.40 0.00 0.71 0.00 0.00 54.79 53.29 3jw0 n ASP 59 Cb 0.15 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3jw0 n ASP 59 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3jw0 s TYR 60 N -1.71 2.43 -0.70 1.24 5.04 -0.81 0.00 117.35 122.84 3jw0 s TYR 60 Ca 0.31 1.24 0.15 0.00 -2.44 0.00 0.00 57.07 56.33 3jw0 s TYR 60 Cb 0.17 -3.96 0.73 0.00 0.35 0.00 0.00 41.96 39.25 3jw0 s TYR 60 CO 0.25 -3.04 1.63 -0.35 -1.34 0.00 0.00 175.55 172.70 3jw0 n PRO 61 N -0.18 4.17 0.11 4.97 -0.04 -1.26 -4.45 135.00 138.31 3jw0 n PRO 61 Ca 0.05 -2.83 -0.03 0.00 -0.04 0.00 0.00 63.50 60.65 3jw0 n PRO 61 Cb 0.41 -2.06 0.17 0.00 -0.04 0.00 0.00 33.50 31.98 3jw0 n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3jw0 h PHE 62 N 3.80 0.20 -3.70 0.54 -1.00 -0.82 -3.35 116.94 112.60 3jw0 h PHE 62 Ca 0.00 -0.07 -0.67 0.00 2.81 0.00 0.00 57.97 60.03 3jw0 h PHE 62 Cb 1.66 -0.04 -0.18 0.00 3.61 0.00 0.00 35.95 41.00 3jw0 h PHE 62 CO 0.89 0.68 -0.77 0.15 -1.61 0.00 0.00 178.31 177.65 3jw0 s LYS 63 N -3.81 2.00 0.74 1.51 -0.14 -1.10 -4.88 119.74 114.06 3jw0 s LYS 63 Ca -0.03 -1.06 -0.12 0.00 -1.36 0.00 0.00 55.97 53.40 3jw0 s LYS 63 Cb 0.13 -2.22 0.04 0.00 -1.68 0.00 0.00 37.83 34.10 3jw0 s LYS 63 CO 0.78 0.51 1.09 -1.25 -0.76 0.00 0.00 175.35 175.72 3jw0 s PRO 64 N -2.00 2.44 -0.25 -1.68 0.04 -1.26 -4.26 135.00 128.03 3jw0 s PRO 64 Ca 0.19 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.26 3jw0 s PRO 64 Cb -0.11 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3jw0 s PRO 64 CO 0.10 -1.51 0.52 -1.25 0.04 0.00 0.00 177.00 174.91 3jw0 s PRO 65 N -4.70 4.10 0.08 0.56 0.04 -1.26 -4.66 135.00 129.15 3jw0 s PRO 65 Ca 0.62 0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 3jw0 s PRO 65 Cb -0.18 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.64 3jw0 s PRO 65 CO 0.52 -0.31 1.85 -1.59 0.04 0.00 0.00 177.00 177.51 3jw0 s LYS 66 N 2.17 4.15 -0.05 4.56 0.00 -0.95 -4.78 119.74 124.84 3jw0 s LYS 66 Ca 0.22 2.55 0.06 0.00 0.00 0.00 0.00 55.97 58.80 3jw0 s LYS 66 Cb -0.16 -3.79 -0.01 0.00 0.00 0.00 0.00 37.83 33.88 3jw0 s LYS 66 CO 0.09 -0.87 -0.23 0.08 0.00 0.00 0.00 175.35 174.42 3jw0 s VAL 67 N 3.32 1.89 -0.02 1.79 1.01 -1.26 -1.25 120.40 125.89 3jw0 s VAL 67 Ca 0.82 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3jw0 s VAL 67 Cb -0.44 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3jw0 s VAL 67 CO 0.37 0.53 0.21 0.00 0.00 0.00 0.00 175.10 176.21 3jw0 s ALA 68 N -0.10 -0.51 -0.18 5.51 0.00 -0.89 -4.19 121.76 121.39 3jw0 s ALA 68 Ca -0.04 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 3jw0 s ALA 68 Cb -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3jw0 s ALA 68 CO 0.03 -0.21 0.88 -0.06 0.00 0.00 0.00 175.76 176.40 3jw0 s PHE 69 N -1.12 3.40 0.01 0.00 0.08 0.15 0.34 117.98 120.84 3jw0 s PHE 69 Ca -0.12 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.23 3jw0 s PHE 69 Cb -0.06 -3.07 -0.26 0.00 -0.57 0.00 0.00 43.02 39.06 3jw0 s PHE 69 CO 0.02 -0.30 0.87 1.15 -0.10 0.00 0.00 175.22 176.86 3jw0 h THR 70 N 5.26 1.16 -3.96 0.64 2.02 -1.36 -3.33 112.91 113.33 3jw0 h THR 70 Ca -0.27 -2.85 -0.48 0.00 0.77 0.00 0.00 66.41 63.59 3jw0 h THR 70 Cb 1.12 2.71 0.01 0.00 -1.74 0.00 0.00 68.15 70.25 3jw0 h THR 70 CO 0.86 0.79 0.40 -0.89 0.37 0.00 0.00 175.52 177.05 3jw0 s THR 71 N -2.62 3.85 -0.05 3.16 2.01 -1.18 -4.97 115.64 115.83 3jw0 s THR 71 Ca -0.08 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.03 3jw0 s THR 71 Cb 0.07 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3jw0 s THR 71 CO 0.84 0.00 1.30 -0.13 -0.69 0.00 0.00 174.62 175.95 3jw0 s ARG 72 N -2.48 4.30 -0.02 4.92 1.81 -1.26 -4.89 118.95 121.33 3jw0 s ARG 72 Ca 0.57 1.80 0.05 0.00 -1.72 0.00 0.00 55.73 56.43 3jw0 s ARG 72 Cb -0.20 -3.61 -0.01 0.00 -0.45 0.00 0.00 34.95 30.67 3jw0 s ARG 72 CO 0.26 -0.55 -0.17 -1.50 -0.68 0.00 0.00 175.30 172.66 3jw0 s ILE 73 N 2.55 1.37 -1.10 1.52 2.07 -1.26 -4.60 121.20 121.75 3jw0 s ILE 73 Ca 0.59 -0.74 -0.12 0.00 -1.41 0.00 0.00 60.65 58.98 3jw0 s ILE 73 Cb -0.27 -1.14 0.23 0.00 0.13 0.00 0.00 42.46 41.40 3jw0 s ILE 73 CO 0.23 0.39 1.18 -0.47 -1.91 0.00 0.00 174.94 174.36 3jw0 s TYR 74 N -0.36 3.89 0.15 3.50 6.14 -1.26 -4.88 117.35 124.53 3jw0 s TYR 74 Ca 0.06 -2.35 0.06 0.00 0.64 0.00 0.00 57.07 55.48 3jw0 s TYR 74 Cb -0.07 -4.02 -0.04 0.00 0.42 0.00 0.00 41.96 38.24 3jw0 s TYR 74 CO -0.00 -1.14 -0.13 -1.58 0.64 0.00 0.00 175.55 173.34 3jw0 s HIS 75 N 0.09 1.41 -0.10 4.97 2.46 -1.26 -4.79 115.29 118.07 3jw0 s HIS 75 Ca 0.33 -0.64 0.14 0.00 0.47 0.00 0.00 55.06 55.36 3jw0 s HIS 75 Cb -0.07 -0.71 0.04 0.00 -0.13 0.00 0.00 32.58 31.71 3jw0 s HIS 75 CO -0.06 0.17 1.43 -1.35 -2.47 0.00 0.00 174.74 172.46 3jw0 h PRO 76 N 3.02 0.00 -0.40 2.88 0.11 -1.89 -3.30 132.00 132.42 3jw0 h PRO 76 Ca -0.38 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 3jw0 h PRO 76 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3jw0 h PRO 76 CO 0.58 0.58 0.05 0.09 -0.21 0.00 0.00 178.00 179.09 3jw0 n ASN 77 N -3.26 3.79 -3.59 -2.05 4.13 -1.26 -0.68 115.26 112.34 3jw0 n ASN 77 Ca 0.02 -3.25 -0.18 0.00 1.68 0.00 0.00 54.58 52.84 3jw0 n ASN 77 Cb 0.76 -0.62 -0.14 0.00 -1.54 0.00 0.00 39.78 38.24 3jw0 n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jw0 s ILE 78 N -2.97 -0.28 0.92 2.41 1.01 -1.24 -1.48 121.20 119.56 3jw0 s ILE 78 Ca 0.46 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 3jw0 s ILE 78 Cb 0.38 -0.49 0.20 0.00 0.01 0.00 0.00 42.46 42.56 3jw0 s ILE 78 CO 0.08 -0.04 1.26 0.54 0.00 0.00 0.00 174.94 176.78 3jw0 s ASN 79 N 2.30 3.27 0.63 3.58 2.20 -1.00 -4.29 114.94 121.63 3jw0 s ASN 79 Ca 0.04 0.04 0.39 0.00 -0.94 0.00 0.00 52.86 52.39 3jw0 s ASN 79 Cb -0.14 -0.10 2.10 0.00 -2.00 0.00 0.00 41.25 41.10 3jw0 s ASN 79 CO -0.09 -2.61 2.27 0.77 -2.94 0.00 0.00 177.10 174.50 3jw0 h SER 80 N -1.43 0.00 -0.05 3.54 4.64 -1.91 -0.94 113.55 117.40 3jw0 h SER 80 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3jw0 h SER 80 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3jw0 h SER 80 CO 0.35 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.92 3jw0 n ASN 81 N -3.26 1.10 -0.28 4.97 3.02 -1.26 -4.88 115.26 114.67 3jw0 n ASN 81 Ca -0.02 -1.46 -0.04 0.00 -0.03 0.00 0.00 54.58 53.03 3jw0 n ASN 81 Cb 0.12 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 3jw0 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jw0 n GLY 82 N 1.09 0.61 3.74 7.41 0.00 -0.36 -4.71 105.19 112.98 3jw0 n GLY 82 Ca 0.19 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 3jw0 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jw0 s SER 83 N -2.95 7.13 -0.11 1.61 0.01 -1.26 0.33 113.70 118.46 3jw0 s SER 83 Ca 0.00 1.35 -0.05 0.00 1.31 0.00 0.00 55.95 58.56 3jw0 s SER 83 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 3jw0 s SER 83 CO 0.00 0.01 0.07 -0.63 0.41 0.00 0.00 173.24 173.10 3jw0 s ILE 84 N 0.07 4.93 -0.72 1.44 1.01 -1.26 -2.36 121.20 124.31 3jw0 s ILE 84 Ca 0.37 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 3jw0 s ILE 84 Cb -0.20 -3.12 0.19 0.00 0.01 0.00 0.00 42.46 39.34 3jw0 s ILE 84 CO 0.21 0.60 0.61 -0.55 0.00 0.00 0.00 174.94 175.81 3jw0 s SER 85 N -0.86 6.06 -0.14 3.58 0.15 -0.55 -5.00 113.70 116.94 3jw0 s SER 85 Ca 0.13 -2.71 -0.01 0.00 0.70 0.00 0.00 55.95 54.06 3jw0 s SER 85 Cb -0.12 -2.05 0.04 0.00 -1.71 0.00 0.00 66.02 62.18 3jw0 s SER 85 CO 0.03 -0.50 -0.04 -0.22 1.20 0.00 0.00 173.24 173.72 3jw0 s LEU 86 N 0.14 1.28 0.31 3.45 2.96 -1.26 -4.94 118.68 120.62 3jw0 s LEU 86 Ca 0.17 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3jw0 s LEU 86 Cb -0.16 -0.77 0.86 0.00 0.50 0.00 0.00 46.19 46.62 3jw0 s LEU 86 CO -0.06 -0.19 1.69 0.44 -1.32 0.00 0.00 176.35 176.92 3jw0 h ASP 87 N 8.19 0.44 0.11 3.68 5.19 -2.00 0.95 116.42 132.98 3jw0 h ASP 87 Ca -0.24 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3jw0 h ASP 87 Cb 1.12 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3jw0 h ASP 87 CO 0.37 -0.02 0.00 2.30 -3.12 0.00 0.00 179.24 178.77 3jw0 n ILE 88 N -5.02 0.46 1.09 0.35 -5.35 -1.26 -1.31 119.36 108.31 3jw0 n ILE 88 Ca 0.26 0.12 0.12 0.00 -0.27 0.00 0.00 62.75 62.97 3jw0 n ILE 88 Cb 0.76 -0.95 0.15 0.00 -1.74 0.00 0.00 39.64 37.86 3jw0 n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3jw0 n LEU 89 N -1.17 2.31 0.00 7.28 4.77 0.33 -3.61 117.00 126.90 3jw0 n LEU 89 Ca 0.06 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3jw0 n LEU 89 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3jw0 n LEU 89 CO 0.07 0.40 0.00 0.54 -1.33 0.00 0.00 177.39 177.07 3jw0 n ARG 90 N 0.57 0.00 0.12 3.23 1.74 -0.43 -4.77 116.66 117.12 3jw0 n ARG 90 Ca 0.13 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.97 3jw0 n ARG 90 Cb 0.50 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.79 3jw0 n ARG 90 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jw0 h SER 91 N 0.00 0.73 -0.22 0.55 4.64 -1.85 -3.33 113.55 114.07 3jw0 h SER 91 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 3jw0 h SER 91 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3jw0 h SER 91 CO 0.00 1.71 0.00 0.00 -0.87 0.00 0.00 176.83 177.67 3jw0 n GLN 92 N -3.65 1.81 -2.64 4.77 1.13 -0.88 -4.91 117.38 113.01 3jw0 n GLN 92 Ca -0.19 -0.91 -0.36 0.00 -1.94 0.00 0.00 57.00 53.60 3jw0 n GLN 92 Cb 1.09 -1.40 -0.05 0.00 0.11 0.00 0.00 30.24 29.99 3jw0 n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3jw0 s TRP 93 N -1.64 3.32 0.03 1.08 -0.11 -1.24 -4.66 118.94 115.73 3jw0 s TRP 93 Ca 0.16 1.66 -0.07 0.00 1.22 0.00 0.00 56.10 59.07 3jw0 s TRP 93 Cb 0.10 -3.03 -0.00 0.00 -1.50 0.00 0.00 33.47 29.04 3jw0 s TRP 93 CO 0.09 -0.40 0.14 0.45 -4.62 0.00 0.00 176.95 172.61 3jw0 s SER 94 N -1.73 0.09 0.26 5.86 0.15 -1.26 -5.03 113.70 112.04 3jw0 s SER 94 Ca 0.58 -0.40 0.23 0.00 0.70 0.00 0.00 55.95 57.06 3jw0 s SER 94 Cb -0.18 0.25 1.00 0.00 -1.71 0.00 0.00 66.02 65.38 3jw0 s SER 94 CO 0.23 -0.50 1.69 -0.81 1.20 0.00 0.00 173.24 175.05 3jw0 n PRO 95 N 0.87 0.18 0.00 5.44 -0.04 -1.26 -2.35 135.00 137.84 3jw0 n PRO 95 Ca -0.20 0.47 -0.07 0.00 -0.04 0.00 0.00 63.50 63.66 3jw0 n PRO 95 Cb 0.58 -1.88 0.11 0.00 -0.04 0.00 0.00 33.50 32.28 3jw0 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jw0 h ALA 96 N 2.21 0.87 -2.59 0.55 0.00 -1.96 -3.45 119.26 114.90 3jw0 h ALA 96 Ca 0.00 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 3jw0 h ALA 96 Cb 0.28 -0.11 0.13 0.00 0.00 0.00 0.00 17.79 18.09 3jw0 h ALA 96 CO 0.00 0.64 0.32 1.28 0.00 0.00 0.00 179.25 181.49 3jw0 n LEU 97 N -4.03 3.40 -4.49 0.00 4.77 -0.99 -5.02 117.00 110.64 3jw0 n LEU 97 Ca -0.02 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.72 3jw0 n LEU 97 Cb 0.51 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 3jw0 n LEU 97 CO 0.45 -1.12 -0.49 -0.54 -1.33 0.00 0.00 177.39 174.35 3jw0 s LYS 98 N -2.18 1.79 0.18 3.23 1.02 -1.26 -5.02 119.74 117.50 3jw0 s LYS 98 Ca 0.63 -1.18 -0.17 0.00 0.02 0.00 0.00 55.97 55.28 3jw0 s LYS 98 Cb -0.52 -2.12 0.13 0.00 -0.52 0.00 0.00 37.83 34.81 3jw0 s LYS 98 CO 0.56 0.48 1.65 0.82 -0.92 0.00 0.00 175.35 177.94 3jw0 h ILE 99 N 3.55 0.49 -0.99 2.17 1.08 -1.95 0.39 117.51 122.24 3jw0 h ILE 99 Ca -0.50 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.22 3jw0 h ILE 99 Cb 1.17 0.49 -0.12 0.00 -3.07 0.00 0.00 36.82 35.28 3jw0 h ILE 99 CO 0.46 0.00 0.57 0.77 -0.69 0.00 0.00 178.15 179.26 3jw0 h SER 100 N -0.03 0.63 -0.31 1.72 4.64 -1.97 0.17 113.55 118.40 3jw0 h SER 100 Ca 0.22 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 3jw0 h SER 100 Cb 0.38 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3jw0 h SER 100 CO -0.50 0.09 0.12 0.11 -0.87 0.00 0.00 176.83 175.78 3jw0 h LYS 101 N 0.56 0.46 0.07 4.77 1.57 -1.34 -0.05 116.57 122.60 3jw0 h LYS 101 Ca 0.64 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.34 3jw0 h LYS 101 Cb 1.21 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3jw0 h LYS 101 CO -0.48 0.48 -0.12 0.28 -0.57 0.00 0.00 179.45 179.03 3jw0 h VAL 102 N 0.35 0.72 -0.28 0.50 2.07 -0.35 0.14 116.25 119.39 3jw0 h VAL 102 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3jw0 h VAL 102 Cb 0.19 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3jw0 h VAL 102 CO -0.01 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.42 3jw0 h LEU 103 N -0.24 -0.33 -1.17 2.57 3.38 -0.70 -0.86 115.31 117.97 3jw0 h LEU 103 Ca 0.02 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3jw0 h LEU 103 Cb 0.26 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3jw0 h LEU 103 CO -0.07 -0.12 0.02 -0.07 0.09 0.00 0.00 178.44 178.29 3jw0 h LEU 104 N -0.03 0.56 -2.05 1.67 3.38 -0.85 -1.45 115.31 116.53 3jw0 h LEU 104 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3jw0 h LEU 104 Cb 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3jw0 h LEU 104 CO -0.31 0.62 0.00 -1.28 0.09 0.00 0.00 178.44 177.56 3jw0 h SER 105 N 0.57 0.00 0.39 -0.43 0.87 0.60 -1.57 113.55 113.99 3jw0 h SER 105 Ca 0.12 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.37 3jw0 h SER 105 Cb 0.33 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3jw0 h SER 105 CO 0.01 0.00 -1.80 -0.38 -0.53 0.00 0.00 176.83 174.13 3jw0 n ILE 106 N -2.88 1.64 -0.17 2.23 5.41 -0.57 -3.27 119.36 121.74 3jw0 n ILE 106 Ca -0.01 -0.77 -0.09 0.00 1.00 0.00 0.00 62.75 62.88 3jw0 n ILE 106 Cb 0.16 -1.16 0.01 0.00 -0.71 0.00 0.00 39.64 37.93 3jw0 n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3jw0 h SER 108 N 0.71 0.67 -0.63 0.00 0.02 -1.43 -0.63 113.55 112.26 3jw0 h SER 108 Ca 0.15 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3jw0 h SER 108 Cb 0.43 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3jw0 h SER 108 CO 0.01 0.35 0.35 0.25 -1.14 0.00 0.00 176.83 176.66 3jw0 h LEU 109 N 0.77 0.80 -1.16 5.07 5.85 -1.42 -1.28 115.31 123.94 3jw0 h LEU 109 Ca 0.43 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 3jw0 h LEU 109 Cb 0.47 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3jw0 h LEU 109 CO -0.28 0.65 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.98 3jw0 h LEU 110 N 0.91 0.00 0.00 2.25 3.38 -0.81 -2.83 115.31 118.21 3jw0 h LEU 110 Ca 0.23 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 3jw0 h LEU 110 Cb 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3jw0 h LEU 110 CO -0.04 0.42 -1.04 0.00 0.09 0.00 0.00 178.44 177.87 3jw0 s ASP 112 N -6.42 2.26 0.90 0.00 1.01 -0.54 -5.01 116.67 108.88 3jw0 s ASP 112 Ca 0.00 -1.39 -0.12 0.00 0.71 0.00 0.00 52.55 51.75 3jw0 s ASP 112 Cb 0.09 0.13 0.13 0.00 1.01 0.00 0.00 42.92 44.28 3jw0 s ASP 112 CO 0.80 -0.35 1.10 -2.84 0.21 0.00 0.00 175.17 174.09 3jw0 s PRO 113 N 1.79 1.21 -0.73 8.23 0.02 -1.08 -4.45 135.00 139.99 3jw0 s PRO 113 Ca 0.13 0.68 -0.01 0.00 0.02 0.00 0.00 61.00 61.81 3jw0 s PRO 113 Cb -0.17 -1.81 0.18 0.00 0.02 0.00 0.00 34.50 32.72 3jw0 s PRO 113 CO -0.19 -2.24 0.56 -0.80 -0.33 0.00 0.00 177.00 174.00 3jw0 s ASN 114 N -3.57 5.40 0.59 2.53 0.01 -1.26 -4.92 114.94 113.72 3jw0 s ASN 114 Ca 0.63 -3.30 0.29 0.00 -0.71 0.00 0.00 52.86 49.77 3jw0 s ASN 114 Cb -0.17 -1.84 1.51 0.00 0.41 0.00 0.00 41.25 41.17 3jw0 s ASN 114 CO 0.56 -0.26 1.94 -0.65 -1.51 0.00 0.00 177.10 177.18 3jw0 h PRO 115 N 6.43 0.00 -0.26 -0.60 0.11 -1.95 -2.08 132.00 133.65 3jw0 h PRO 115 Ca 0.06 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 3jw0 h PRO 115 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3jw0 h PRO 115 CO 0.76 0.00 -0.55 -0.44 -0.21 0.00 0.00 178.00 177.56 3jw0 h ASP 116 N 0.00 0.94 -3.79 -2.05 3.32 -1.93 -3.37 116.42 109.54 3jw0 h ASP 116 Ca 0.18 -0.55 -0.79 0.00 0.02 0.00 0.00 57.03 55.90 3jw0 h ASP 116 Cb 1.02 -0.27 -0.26 0.00 0.22 0.00 0.00 39.33 40.04 3jw0 h ASP 116 CO -0.00 1.31 0.16 -1.81 -1.72 0.00 0.00 179.24 177.18 3jw0 s ASP 117 N -6.92 6.85 -0.23 6.45 1.01 -0.78 -5.00 116.67 118.05 3jw0 s ASP 117 Ca -0.11 -2.86 -0.24 0.00 0.71 0.00 0.00 52.55 50.05 3jw0 s ASP 117 Cb 0.09 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 3jw0 s ASP 117 CO 0.88 -0.52 0.81 -2.16 0.21 0.00 0.00 175.17 174.39 3jw0 s PRO 118 N -0.10 4.20 0.08 8.23 0.04 -1.26 -4.69 135.00 141.50 3jw0 s PRO 118 Ca 0.20 0.92 0.20 0.00 0.04 0.00 0.00 61.00 62.36 3jw0 s PRO 118 Cb -0.10 -3.63 -0.13 0.00 0.04 0.00 0.00 34.50 30.68 3jw0 s PRO 118 CO -0.09 -0.46 0.79 -0.11 0.04 0.00 0.00 177.00 177.18 3jw0 n LEU 119 N 5.77 0.65 -3.80 -3.56 7.94 0.14 -4.57 117.00 119.58 3jw0 n LEU 119 Ca 0.05 0.27 -0.30 0.00 -1.11 0.00 0.00 56.01 54.91 3jw0 n LEU 119 Cb 0.48 0.04 -0.15 0.00 0.53 0.00 0.00 43.42 44.32 3jw0 n LEU 119 CO 0.47 0.02 -0.34 -0.69 -1.11 0.00 0.00 177.39 175.74 3jw0 s VAL 120 N -3.16 1.15 0.03 1.96 1.01 -0.74 -4.75 120.40 115.91 3jw0 s VAL 120 Ca -0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 3jw0 s VAL 120 Cb 0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3jw0 s VAL 120 CO 0.82 -0.58 1.14 1.55 0.00 0.00 0.00 175.10 178.03 3jw0 h PRO 121 N 8.01 -0.10 0.00 2.72 0.13 -1.87 -2.91 132.00 137.97 3jw0 h PRO 121 Ca -0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3jw0 h PRO 121 Cb 1.03 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3jw0 h PRO 121 CO 0.47 -0.07 0.00 -1.91 -0.23 0.00 0.00 178.00 176.26 3jw0 n GLU 122 N -3.38 0.00 -0.36 0.86 2.13 -1.26 -1.57 120.64 117.06 3jw0 n GLU 122 Ca -0.01 0.94 0.26 0.00 0.66 0.00 0.00 57.16 59.01 3jw0 n GLU 122 Cb 0.09 -1.42 0.52 0.00 0.27 0.00 0.00 31.44 30.90 3jw0 n GLU 122 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3jw0 h ILE 123 N 0.00 0.35 -0.38 6.31 2.04 -1.92 0.30 117.51 124.21 3jw0 h ILE 123 Ca 0.00 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3jw0 h ILE 123 Cb 0.00 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 3jw0 h ILE 123 CO 0.00 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.25 3jw0 h ALA 124 N 1.70 1.37 0.25 1.87 0.00 -1.08 -1.78 119.26 121.59 3jw0 h ALA 124 Ca 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3jw0 h ALA 124 Cb 1.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3jw0 h ALA 124 CO -0.44 0.44 -0.12 -0.09 0.00 0.00 0.00 179.25 179.04 3jw0 h ARG 125 N 0.56 -0.32 -1.08 0.00 2.43 -0.23 -2.50 114.38 113.23 3jw0 h ARG 125 Ca 0.12 0.02 0.31 0.00 -0.81 0.00 0.00 59.98 59.63 3jw0 h ARG 125 Cb 0.29 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3jw0 h ARG 125 CO 0.01 -0.22 1.11 0.82 -1.51 0.00 0.00 179.97 180.18 3jw0 h ILE 126 N -0.62 0.08 0.20 1.20 1.08 -1.42 0.29 117.51 118.31 3jw0 h ILE 126 Ca -0.03 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.15 3jw0 h ILE 126 Cb 0.26 0.12 0.03 0.00 -3.07 0.00 0.00 36.82 34.16 3jw0 h ILE 126 CO 0.06 0.00 -1.30 0.22 -0.69 0.00 0.00 178.15 176.44 3jw0 h TYR 127 N 0.00 0.76 -0.02 1.37 3.20 -1.27 -1.99 116.97 119.02 3jw0 h TYR 127 Ca 0.51 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3jw0 h TYR 127 Cb 2.73 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.97 3jw0 h TYR 127 CO 0.00 1.50 -0.04 1.63 -1.64 0.00 0.00 178.16 179.61 3jw0 n LYS 128 N -3.86 1.66 -0.04 1.82 4.76 0.90 -3.56 118.16 119.85 3jw0 n LYS 128 Ca -0.18 -1.06 -0.10 0.00 -2.87 0.00 0.00 58.31 54.10 3jw0 n LYS 128 Cb 0.99 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 3jw0 n LYS 128 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3jw0 n THR 129 N 0.26 0.69 -3.94 -0.18 -2.24 -0.56 -4.93 114.28 103.37 3jw0 n THR 129 Ca 0.17 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 3jw0 n THR 129 Cb 0.40 -1.68 -0.14 0.00 -2.10 0.00 0.00 70.33 66.81 3jw0 n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jw0 s ASP 130 N -5.94 4.29 0.10 3.42 2.15 -0.75 -4.97 116.67 114.97 3jw0 s ASP 130 Ca -0.14 -3.02 -0.23 0.00 0.43 0.00 0.00 52.55 49.59 3jw0 s ASP 130 Cb 0.05 -1.61 -0.13 0.00 -0.30 0.00 0.00 42.92 40.93 3jw0 s ASP 130 CO 0.18 -0.23 1.73 -0.09 -0.17 0.00 0.00 175.17 176.59 3jw0 h ARG 131 N 6.47 -0.04 -0.27 4.34 9.65 -1.69 -2.99 114.38 129.85 3jw0 h ARG 131 Ca -0.07 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3jw0 h ARG 131 Cb 0.89 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.40 3jw0 h ARG 131 CO 0.68 -0.03 -0.43 0.93 2.80 0.00 0.00 179.97 183.92 3jw0 h GLU 132 N -0.04 -0.40 -0.56 0.20 4.39 -1.91 -1.54 114.58 114.72 3jw0 h GLU 132 Ca 0.02 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.82 3jw0 h GLU 132 Cb 0.06 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.70 3jw0 h GLU 132 CO -0.04 -0.26 -0.48 -0.22 -1.16 0.00 0.00 179.01 176.85 3jw0 h LYS 133 N -0.41 -0.25 0.04 2.33 1.63 -1.85 -1.64 116.57 116.42 3jw0 h LYS 133 Ca 0.10 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3jw0 h LYS 133 Cb 0.60 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 3jw0 h LYS 133 CO -0.49 -0.17 -0.42 -0.92 -3.45 0.00 0.00 179.45 174.00 3jw0 h TYR 134 N -0.26 -1.20 -1.00 1.91 5.03 -1.24 -2.20 116.97 118.01 3jw0 h TYR 134 Ca 0.15 0.04 0.17 0.00 2.58 0.00 0.00 58.73 61.66 3jw0 h TYR 134 Cb 0.56 0.52 -0.10 0.00 1.55 0.00 0.00 36.73 39.27 3jw0 h TYR 134 CO -0.73 -0.51 0.62 -0.91 -1.32 0.00 0.00 178.16 175.31 3jw0 h ASN 135 N -0.61 0.83 0.00 -2.11 2.35 -0.94 -1.00 115.58 114.10 3jw0 h ASN 135 Ca 0.04 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3jw0 h ASN 135 Cb 0.67 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3jw0 h ASN 135 CO -0.29 0.35 0.00 -1.14 -1.65 0.00 0.00 177.43 174.70 3jw0 n ARG 136 N -4.71 0.00 -0.33 0.81 0.63 -0.65 -2.61 116.66 109.81 3jw0 n ARG 136 Ca 0.22 0.42 0.24 0.00 -0.92 0.00 0.00 57.85 57.81 3jw0 n ARG 136 Cb 0.50 -1.41 0.48 0.00 0.45 0.00 0.00 32.46 32.47 3jw0 n ARG 136 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3jw0 h ILE 137 N 0.00 0.26 0.00 5.15 2.04 -1.15 0.74 117.51 124.55 3jw0 h ILE 137 Ca 0.00 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3jw0 h ILE 137 Cb 0.00 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3jw0 h ILE 137 CO 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 178.15 178.14 3jw0 h ALA 138 N 1.87 1.70 -0.00 1.87 0.00 -1.16 -0.33 119.26 123.20 3jw0 h ALA 138 Ca 0.74 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.40 3jw0 h ALA 138 Cb 1.71 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.50 3jw0 h ALA 138 CO -0.63 0.07 -0.76 0.00 0.00 0.00 0.00 179.25 177.93 3jw0 h ARG 139 N 0.00 0.52 -0.44 0.00 3.08 0.75 -0.61 114.38 117.67 3jw0 h ARG 139 Ca -0.00 -0.55 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 3jw0 h ARG 139 Cb 0.11 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3jw0 h ARG 139 CO 0.01 1.18 0.16 0.93 -1.07 0.00 0.00 179.97 181.19 3jw0 h GLU 140 N 0.08 0.64 -0.08 0.04 5.08 -1.06 0.52 114.58 119.79 3jw0 h GLU 140 Ca -0.09 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 57.96 3jw0 h GLU 140 Cb 1.45 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.59 3jw0 h GLU 140 CO 0.15 0.54 -0.83 -1.49 -1.00 0.00 0.00 179.01 176.38 3jw0 h TRP 141 N 0.63 0.85 0.00 4.33 4.06 -1.06 0.21 115.95 124.97 3jw0 h TRP 141 Ca 0.15 -0.40 0.00 0.00 2.06 0.00 0.00 58.89 60.70 3jw0 h TRP 141 Cb 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3jw0 h TRP 141 CO 0.01 1.21 0.00 1.15 -3.56 0.00 0.00 178.44 177.25 3jw0 h THR 142 N 0.39 0.00 0.01 1.49 2.02 -0.08 -0.35 112.91 116.39 3jw0 h THR 142 Ca -0.06 -0.38 -0.25 0.00 0.77 0.00 0.00 66.41 66.49 3jw0 h THR 142 Cb 1.45 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3jw0 h THR 142 CO 0.16 0.00 -1.34 0.00 0.37 0.00 0.00 175.52 174.70 3jw0 n GLN 143 N -2.52 0.58 -0.19 6.66 1.13 0.17 -2.37 117.38 120.85 3jw0 n GLN 143 Ca 0.02 0.55 -0.09 0.00 -1.94 0.00 0.00 57.00 55.55 3jw0 n GLN 143 Cb 0.29 -1.74 0.01 0.00 0.11 0.00 0.00 30.24 28.92 3jw0 n GLN 143 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3jw0 h LYS 144 N -0.92 0.86 0.00 -1.09 3.64 -0.54 -3.33 116.57 115.19 3jw0 h LYS 144 Ca -0.36 -0.21 -0.28 0.00 -1.27 0.00 0.00 60.65 58.53 3jw0 h LYS 144 Cb 1.37 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 3jw0 h LYS 144 CO -0.19 0.81 -1.91 0.66 -2.27 0.00 0.00 179.45 176.55 3jw0 n TYR 145 N -4.42 0.00 0.28 1.91 4.01 -0.15 -4.69 117.16 114.10 3jw0 n TYR 145 Ca 0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.92 3jw0 n TYR 145 Cb 0.23 -0.63 0.77 0.00 -0.31 0.00 0.00 39.34 39.40 3jw0 n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jw0 h ALA 146 N -0.66 1.09 -0.02 -0.72 0.00 -1.56 -3.47 119.26 113.92 3jw0 h ALA 146 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3jw0 h ALA 146 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3jw0 h ALA 146 CO -0.26 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 177.75