#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jw0 s ALA 8 N 0.00 3.80 0.80 1.69 0.00 -1.26 -5.07 121.76 121.72 1jw0 s ALA 8 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1jw0 s ALA 8 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.00 1jw0 s ALA 8 CO 0.00 0.63 0.78 -2.30 0.00 0.00 0.00 175.76 174.88 1jw0 n PRO 9 N 0.81 0.17 -1.99 0.00 -0.02 -1.26 -4.89 135.00 127.82 1jw0 n PRO 9 Ca -0.08 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1jw0 n PRO 9 Cb 0.52 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1jw0 n PRO 9 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1jw0 s ILE 10 N -2.07 2.46 0.18 4.25 -4.36 -1.26 -4.86 121.20 115.54 1jw0 s ILE 10 Ca 0.67 0.43 -0.32 0.00 -0.26 0.00 0.00 60.65 61.17 1jw0 s ILE 10 Cb -0.30 -3.26 -0.16 0.00 1.25 0.00 0.00 42.46 39.99 1jw0 s ILE 10 CO 0.56 0.07 0.95 0.00 0.24 0.00 0.00 174.94 176.76 1jw0 n ALA 11 N 0.18 -1.67 -1.59 2.27 0.00 -1.26 -4.93 120.51 113.52 1jw0 n ALA 11 Ca 0.03 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.63 1jw0 n ALA 11 Cb 0.43 -1.87 0.06 0.00 0.00 0.00 0.00 19.45 18.06 1jw0 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jw0 s ALA 12 N -0.54 2.63 0.07 0.00 0.00 -1.26 -5.03 121.76 117.63 1jw0 s ALA 12 Ca 0.71 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1jw0 s ALA 12 Cb -0.91 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.00 1jw0 s ALA 12 CO 0.55 -1.29 0.58 -0.47 0.00 0.00 0.00 175.76 175.13 1jw0 s TYR 13 N -3.08 3.80 -0.64 0.00 5.04 -1.26 -5.03 117.35 116.18 1jw0 s TYR 13 Ca 0.58 1.28 -0.05 0.00 -2.44 0.00 0.00 57.07 56.45 1jw0 s TYR 13 Cb -0.14 -2.51 0.17 0.00 0.35 0.00 0.00 41.96 39.83 1jw0 s TYR 13 CO 0.55 0.57 0.48 0.15 -1.34 0.00 0.00 175.55 175.96 1jw0 s LYS 14 N -1.05 2.70 0.18 4.97 -0.14 -1.26 -5.06 119.74 120.06 1jw0 s LYS 14 Ca 0.29 -2.49 -0.32 0.00 -1.36 0.00 0.00 55.97 52.10 1jw0 s LYS 14 Cb -0.20 -3.83 -0.11 0.00 -1.68 0.00 0.00 37.83 32.02 1jw0 s LYS 14 CO 0.19 -1.19 1.69 -1.25 -0.76 0.00 0.00 175.35 174.03 1jw0 s PRO 15 N 0.03 4.16 0.00 -1.68 0.04 -1.26 -4.89 135.00 131.39 1jw0 s PRO 15 Ca 0.17 2.52 0.21 0.00 0.04 0.00 0.00 61.00 63.93 1jw0 s PRO 15 Cb -0.19 -3.20 0.47 0.00 0.04 0.00 0.00 34.50 31.62 1jw0 s PRO 15 CO -0.04 -0.72 1.41 0.54 0.04 0.00 0.00 177.00 178.23 1jw0 n ARG 16 N 4.30 2.54 -3.53 4.56 1.74 -1.26 -4.54 116.66 120.47 1jw0 n ARG 16 Ca 0.16 -2.35 -0.13 0.00 -0.77 0.00 0.00 57.85 54.76 1jw0 n ARG 16 Cb 0.37 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1jw0 n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jw0 s SER 17 N -1.23 -0.48 -0.22 0.55 1.04 -1.26 -5.01 113.70 107.08 1jw0 s SER 17 Ca 0.39 0.38 -0.24 0.00 0.48 0.00 0.00 55.95 56.97 1jw0 s SER 17 Cb 0.22 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1jw0 s SER 17 CO 0.30 -0.54 0.79 0.20 0.98 0.00 0.00 173.24 174.96 1jw0 s ASN 18 N -1.57 6.82 0.06 7.02 0.01 -1.26 -4.52 114.94 121.50 1jw0 s ASN 18 Ca -0.03 1.01 -0.27 0.00 -0.71 0.00 0.00 52.86 52.86 1jw0 s ASN 18 Cb -0.00 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 39.30 1jw0 s ASN 18 CO 0.01 -0.45 0.64 -1.83 -1.51 0.00 0.00 177.10 173.96 1jw0 s GLU 19 N 2.56 1.17 -0.19 -0.60 -1.05 -0.62 -5.02 118.70 114.96 1jw0 s GLU 19 Ca 0.34 -0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 55.03 1jw0 s GLU 19 Cb -0.16 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1jw0 s GLU 19 CO 0.09 -0.45 -0.10 0.42 0.95 0.00 0.00 175.26 176.17 1jw0 s ILE 20 N -2.49 2.95 -0.42 1.83 1.01 -1.26 -0.83 121.20 121.98 1jw0 s ILE 20 Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1jw0 s ILE 20 Cb -0.01 -2.30 0.08 0.00 0.01 0.00 0.00 42.46 40.24 1jw0 s ILE 20 CO -0.02 0.48 0.28 -0.76 0.00 0.00 0.00 174.94 174.91 1jw0 s LEU 21 N 1.18 5.21 -0.03 2.97 1.43 -0.00 -4.88 118.68 124.56 1jw0 s LEU 21 Ca 0.02 -1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 51.41 1jw0 s LEU 21 Cb -0.14 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1jw0 s LEU 21 CO -0.04 -0.55 0.68 0.26 0.23 0.00 0.00 176.35 176.93 1jw0 s TRP 22 N 1.45 3.64 0.78 0.29 0.52 -1.26 -1.56 118.94 122.80 1jw0 s TRP 22 Ca 0.03 1.27 -0.02 0.00 0.02 0.00 0.00 56.10 57.40 1jw0 s TRP 22 Cb -0.23 -2.74 0.16 0.00 -1.15 0.00 0.00 33.47 29.50 1jw0 s TRP 22 CO 0.03 0.21 1.07 0.16 0.02 0.00 0.00 176.95 178.43 1jw0 s ASP 23 N 0.32 4.00 0.27 2.95 -4.77 -0.85 -4.94 116.67 113.64 1jw0 s ASP 23 Ca 0.36 -0.42 0.16 0.00 -3.30 0.00 0.00 52.55 49.34 1jw0 s ASP 23 Cb -0.18 0.19 0.87 0.00 -1.09 0.00 0.00 42.92 42.71 1jw0 s ASP 23 CO 0.19 -2.11 1.46 0.61 0.70 0.00 0.00 175.17 176.01 1jw0 n GLY 24 N -3.02 -0.74 0.81 2.12 0.00 -1.26 -1.95 105.19 101.14 1jw0 n GLY 24 Ca 0.17 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.41 1jw0 n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jw0 n TYR 25 N -2.07 0.65 -0.96 1.61 4.02 -1.26 -4.95 117.16 114.19 1jw0 n TYR 25 Ca -0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.32 1jw0 n TYR 25 Cb 0.10 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1jw0 n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jw0 n GLY 26 N 0.51 0.43 3.60 2.72 0.00 -0.82 -5.01 105.19 106.62 1jw0 n GLY 26 Ca 0.15 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1jw0 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jw0 s VAL 27 N -2.00 4.79 0.03 1.61 1.01 -1.26 -4.89 120.40 119.68 1jw0 s VAL 27 Ca 0.00 1.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 1jw0 s VAL 27 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1jw0 s VAL 27 CO 0.00 -0.31 0.83 -2.16 0.00 0.00 0.00 175.10 173.46 1jw0 s PRO 28 N 2.96 4.54 -0.58 2.72 0.04 -1.26 -2.02 135.00 141.39 1jw0 s PRO 28 Ca 0.31 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1jw0 s PRO 28 Cb -0.14 -3.40 0.15 0.00 0.04 0.00 0.00 34.50 31.15 1jw0 s PRO 28 CO 0.14 0.16 0.42 -1.01 0.04 0.00 0.00 177.00 176.75 1jw0 s HIS 29 N 0.33 3.48 -0.31 0.56 3.76 -0.60 -4.95 115.29 117.56 1jw0 s HIS 29 Ca 0.43 -2.46 -0.27 0.00 -0.15 0.00 0.00 55.06 52.61 1jw0 s HIS 29 Cb -0.21 -3.32 0.01 0.00 1.11 0.00 0.00 32.58 30.18 1jw0 s HIS 29 CO 0.24 -0.90 0.95 0.42 -0.85 0.00 0.00 174.74 174.60 1jw0 s ILE 30 N 0.40 4.63 -0.18 0.60 1.09 -1.26 -0.82 121.20 125.65 1jw0 s ILE 30 Ca 0.14 1.49 -0.03 0.00 -1.10 0.00 0.00 60.65 61.15 1jw0 s ILE 30 Cb -0.21 -4.30 -0.01 0.00 -1.06 0.00 0.00 42.46 36.88 1jw0 s ILE 30 CO -0.04 -0.38 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.04 1jw0 s TYR 31 N 3.35 2.92 0.09 3.97 1.51 -0.01 -4.98 117.35 124.20 1jw0 s TYR 31 Ca 0.40 -0.77 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1jw0 s TYR 31 Cb -0.13 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1jw0 s TYR 31 CO 0.14 -0.38 -0.15 0.20 -1.11 0.00 0.00 175.55 174.26 1jw0 s GLY 32 N 0.99 0.95 0.00 0.71 0.00 -1.26 -1.58 107.32 107.12 1jw0 s GLY 32 Ca -0.00 -1.10 0.24 0.00 0.00 0.00 0.00 44.72 43.86 1jw0 s GLY 32 CO -0.00 -1.13 1.77 3.33 0.00 0.00 0.00 173.10 177.07 1jw0 n VAL 33 N 1.06 0.34 -3.82 1.40 0.24 -1.26 -4.70 118.33 111.59 1jw0 n VAL 33 Ca -0.20 0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1jw0 n VAL 33 Cb 0.55 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.22 1jw0 n VAL 33 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1jw0 s ASP 34 N -2.95 -0.22 0.11 -1.34 1.47 -1.26 -5.04 116.67 107.44 1jw0 s ASP 34 Ca 0.13 -0.54 -0.30 0.00 1.18 0.00 0.00 52.55 53.02 1jw0 s ASP 34 Cb 0.16 0.64 -0.10 0.00 -0.34 0.00 0.00 42.92 43.27 1jw0 s ASP 34 CO 0.43 -1.18 1.60 0.00 0.68 0.00 0.00 175.17 176.70 1jw0 h ALA 35 N 2.00 -0.70 -0.92 2.11 0.00 -2.00 -2.15 119.26 117.60 1jw0 h ALA 35 Ca -0.21 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.79 1jw0 h ALA 35 Cb 1.24 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 19.58 1jw0 h ALA 35 CO 0.24 -0.96 0.52 -1.35 0.00 0.00 0.00 179.25 177.70 1jw0 h PRO 36 N -0.64 0.67 -0.46 0.00 0.11 -1.93 -1.15 132.00 128.62 1jw0 h PRO 36 Ca 0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1jw0 h PRO 36 Cb 0.66 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1jw0 h PRO 36 CO -0.22 0.44 0.28 0.77 -0.21 0.00 0.00 178.00 179.06 1jw0 h SER 37 N 0.69 0.54 -0.69 -2.05 0.02 -1.85 -0.92 113.55 109.29 1jw0 h SER 37 Ca 0.52 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1jw0 h SER 37 Cb 0.77 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1jw0 h SER 37 CO -0.37 0.43 0.19 0.00 -1.14 0.00 0.00 176.83 175.93 1jw0 h ALA 38 N 1.13 0.90 -0.44 3.77 0.00 -0.65 -0.48 119.26 123.49 1jw0 h ALA 38 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jw0 h ALA 38 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jw0 h ALA 38 CO -0.03 0.61 -0.03 0.74 0.00 0.00 0.00 179.25 180.53 1jw0 h PHE 39 N 1.02 0.80 -0.28 0.00 -1.00 -0.95 0.13 116.94 116.66 1jw0 h PHE 39 Ca 0.22 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 1jw0 h PHE 39 Cb 0.34 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1jw0 h PHE 39 CO 0.03 0.76 0.12 -0.92 -1.61 0.00 0.00 178.31 176.69 1jw0 h TYR 40 N 0.69 0.42 -0.89 -0.55 3.20 -0.78 0.54 116.97 119.61 1jw0 h TYR 40 Ca 0.13 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1jw0 h TYR 40 Cb 0.48 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1jw0 h TYR 40 CO 0.02 0.42 0.57 0.78 -1.64 0.00 0.00 178.16 178.31 1jw0 h GLY 41 N 0.31 1.26 1.01 1.82 0.00 -0.59 -0.51 103.07 106.36 1jw0 h GLY 41 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1jw0 h GLY 41 CO -0.01 0.48 0.29 -1.82 0.00 0.00 0.00 176.54 175.48 1jw0 h TYR 42 N 1.21 1.00 -0.27 5.60 -0.00 -0.34 -0.92 116.97 123.25 1jw0 h TYR 42 Ca 0.32 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.73 58.90 1jw0 h TYR 42 Cb -0.11 -0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 36.30 1jw0 h TYR 42 CO -0.01 0.77 -0.20 0.78 -0.00 0.00 0.00 178.16 179.51 1jw0 h GLY 43 N 0.94 0.52 0.71 1.82 0.00 -0.27 -1.76 103.07 105.03 1jw0 h GLY 43 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1jw0 h GLY 43 CO -0.02 0.36 -0.02 -0.25 0.00 0.00 0.00 176.54 176.62 1jw0 h TRP 44 N 0.44 0.18 -0.34 5.60 2.91 -0.68 -2.25 115.95 121.80 1jw0 h TRP 44 Ca 0.07 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1jw0 h TRP 44 Cb 0.59 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 1jw0 h TRP 44 CO 0.02 0.47 0.13 0.00 -1.03 0.00 0.00 178.44 178.03 1jw0 h ALA 45 N 0.68 0.40 -0.59 2.65 0.00 -1.03 -0.49 119.26 120.88 1jw0 h ALA 45 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jw0 h ALA 45 Cb 0.41 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jw0 h ALA 45 CO 0.01 -0.27 0.28 1.96 0.00 0.00 0.00 179.25 181.24 1jw0 h GLN 46 N 0.28 0.82 -0.23 0.00 4.20 -1.31 0.29 115.11 119.16 1jw0 h GLN 46 Ca 0.15 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1jw0 h GLN 46 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1jw0 h GLN 46 CO -0.15 0.64 -0.38 0.00 -0.67 0.00 0.00 178.83 178.26 1jw0 h ALA 47 N 1.49 0.92 -0.37 3.87 0.00 -0.83 0.33 119.26 124.68 1jw0 h ALA 47 Ca 0.21 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1jw0 h ALA 47 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1jw0 h ALA 47 CO -0.03 0.63 0.11 -0.09 0.00 0.00 0.00 179.25 179.87 1jw0 h ARG 48 N 0.43 0.57 0.00 0.00 9.65 -0.03 -1.43 114.38 123.57 1jw0 h ARG 48 Ca 0.04 -0.13 -0.15 0.00 -1.10 0.00 0.00 59.98 58.64 1jw0 h ARG 48 Cb 0.86 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 1jw0 h ARG 48 CO 0.07 0.60 -1.49 0.43 2.80 0.00 0.00 179.97 182.39 1jw0 n SER 49 N -4.62 0.72 -0.79 -3.80 7.64 -0.01 -4.60 113.62 108.16 1jw0 n SER 49 Ca -0.01 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1jw0 n SER 49 Cb 0.18 0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1jw0 n SER 49 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1jw0 n HIS 50 N -2.80 0.00 -0.30 1.43 8.25 0.11 -4.98 115.22 116.94 1jw0 n HIS 50 Ca -0.10 -0.17 0.05 0.00 -0.26 0.00 0.00 57.72 57.25 1jw0 n HIS 50 Cb 0.80 0.04 0.14 0.00 1.12 0.00 0.00 29.99 32.10 1jw0 n HIS 50 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1jw0 h GLY 51 N 0.24 0.75 0.79 -1.41 0.00 -0.88 -2.08 103.07 100.48 1jw0 h GLY 51 Ca -0.11 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1jw0 h GLY 51 CO -0.00 -0.34 -0.15 -0.55 0.00 0.00 0.00 176.54 175.49 1jw0 h ASP 52 N 0.02 -0.40 0.26 0.19 3.32 -1.88 -1.53 116.42 116.41 1jw0 h ASP 52 Ca 0.44 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 1jw0 h ASP 52 Cb 0.73 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1jw0 h ASP 52 CO -0.84 -0.22 -0.46 0.78 -1.72 0.00 0.00 179.24 176.78 1jw0 h ASN 53 N -0.32 0.26 -0.01 6.45 2.35 -1.92 -1.99 115.58 120.40 1jw0 h ASN 53 Ca 0.01 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1jw0 h ASN 53 Cb 0.31 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1jw0 h ASN 53 CO -0.05 0.68 0.00 0.40 -1.65 0.00 0.00 177.43 176.81 1jw0 h ILE 54 N 0.20 1.18 -0.85 2.81 2.04 -1.25 -0.38 117.51 121.26 1jw0 h ILE 54 Ca 0.01 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1jw0 h ILE 54 Cb 0.89 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 1jw0 h ILE 54 CO 0.07 0.14 0.56 -0.07 0.00 0.00 0.00 178.15 178.85 1jw0 h LEU 55 N -0.21 0.94 -0.19 1.44 3.38 -1.22 0.15 115.31 119.60 1jw0 h LEU 55 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jw0 h LEU 55 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jw0 h LEU 55 CO 0.00 0.66 0.08 -0.09 0.09 0.00 0.00 178.44 179.18 1jw0 h ARG 56 N 1.11 0.27 -0.37 1.13 2.43 -1.22 0.34 114.38 118.07 1jw0 h ARG 56 Ca 0.33 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1jw0 h ARG 56 Cb -0.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1jw0 h ARG 56 CO -0.09 0.33 0.20 -0.07 -1.51 0.00 0.00 179.97 178.82 1jw0 h LEU 57 N 0.15 0.47 -1.03 3.80 3.38 -0.61 -1.16 115.31 120.31 1jw0 h LEU 57 Ca 0.06 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1jw0 h LEU 57 Cb 0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1jw0 h LEU 57 CO -0.01 0.43 0.64 1.88 0.09 0.00 0.00 178.44 181.48 1jw0 h TYR 58 N 0.47 1.19 -0.72 1.13 -1.99 -0.56 0.14 116.97 116.62 1jw0 h TYR 58 Ca 0.13 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.90 1jw0 h TYR 58 Cb 0.07 -0.39 -0.04 0.00 2.00 0.00 0.00 36.73 38.37 1jw0 h TYR 58 CO -0.02 0.64 0.48 0.78 -0.00 0.00 0.00 178.16 180.03 1jw0 h GLY 59 N 1.18 1.02 1.02 3.88 0.00 -0.21 -2.20 103.07 107.76 1jw0 h GLY 59 Ca 0.42 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1jw0 h GLY 59 CO -0.16 0.37 0.19 0.83 0.00 0.00 0.00 176.54 177.78 1jw0 h GLU 60 N 0.97 1.01 -0.00 4.80 5.08 0.07 -2.32 114.58 124.19 1jw0 h GLU 60 Ca 0.27 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1jw0 h GLU 60 Cb -0.11 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1jw0 h GLU 60 CO -0.06 0.89 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 1jw0 h ALA 61 N 1.07 1.38 0.00 3.43 0.00 -0.44 0.36 119.26 125.06 1jw0 h ALA 61 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jw0 h ALA 61 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jw0 h ALA 61 CO -0.00 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1jw0 n ARG 62 N -3.63 0.07 -1.16 0.00 1.74 -0.90 -4.13 116.66 108.66 1jw0 n ARG 62 Ca -0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.04 1jw0 n ARG 62 Cb 0.08 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1jw0 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jw0 n GLY 63 N 1.44 0.47 1.11 -0.13 0.00 0.12 -4.85 105.19 103.36 1jw0 n GLY 63 Ca 0.08 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.21 1jw0 n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jw0 n LYS 64 N -2.75 2.55 -0.05 1.61 4.76 -1.07 -4.63 118.16 118.58 1jw0 n LYS 64 Ca -0.02 -2.34 -0.08 0.00 -2.87 0.00 0.00 58.31 53.01 1jw0 n LYS 64 Cb 0.10 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1jw0 n LYS 64 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1jw0 h GLY 65 N 3.86 -0.11 1.47 0.72 0.00 -1.78 0.16 103.07 107.40 1jw0 h GLY 65 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1jw0 h GLY 65 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 176.54 176.51 1jw0 h ALA 66 N 0.86 1.41 0.10 3.60 0.00 -1.75 -0.88 119.26 122.60 1jw0 h ALA 66 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jw0 h ALA 66 Cb 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jw0 h ALA 66 CO -0.38 0.44 -0.05 1.49 0.00 0.00 0.00 179.25 180.75 1jw0 h GLU 67 N 0.67 -0.13 -0.36 0.00 4.81 -1.64 -0.31 114.58 117.61 1jw0 h GLU 67 Ca 0.16 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 1jw0 h GLU 67 Cb 0.18 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1jw0 h GLU 67 CO -0.01 0.31 -0.36 1.88 -0.73 0.00 0.00 179.01 180.10 1jw0 h TYR 68 N -0.64 1.05 0.00 0.92 0.99 -0.66 -3.38 116.97 115.24 1jw0 h TYR 68 Ca -0.01 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1jw0 h TYR 68 Cb 0.51 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 38.02 1jw0 h TYR 68 CO 0.08 1.12 0.00 0.91 -0.00 0.00 0.00 178.16 180.27 1jw0 n TRP 69 N -4.12 0.00 -4.19 4.88 8.01 -0.34 -5.07 117.44 116.61 1jw0 n TRP 69 Ca -0.03 -0.32 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 1jw0 n TRP 69 Cb 0.53 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 1jw0 n TRP 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jw0 n GLY 70 N -0.32 -1.37 0.25 6.99 0.00 -0.13 -4.56 105.19 106.05 1jw0 n GLY 70 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1jw0 n GLY 70 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jw0 n PRO 71 N -0.14 -0.13 0.16 1.61 -0.02 -1.26 -1.15 135.00 134.07 1jw0 n PRO 71 Ca 0.00 1.00 0.11 0.00 -2.02 0.00 0.00 63.50 62.59 1jw0 n PRO 71 Cb 0.00 -1.49 0.58 0.00 -0.02 0.00 0.00 33.50 32.57 1jw0 n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jw0 n ASP 72 N -4.99 0.56 -0.38 2.55 8.00 -1.26 -1.49 116.55 119.54 1jw0 n ASP 72 Ca 0.08 0.76 0.04 0.00 0.71 0.00 0.00 54.79 56.38 1jw0 n ASP 72 Cb 0.28 -0.83 0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1jw0 n ASP 72 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jw0 n TYR 73 N -2.25 0.11 -0.10 1.24 4.02 -0.30 -4.70 117.16 115.17 1jw0 n TYR 73 Ca -0.01 -0.16 -0.08 0.00 -0.01 0.00 0.00 57.90 57.63 1jw0 n TYR 73 Cb 0.04 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.42 1jw0 n TYR 73 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1jw0 h GLU 74 N 1.59 0.83 -0.21 -0.72 4.81 -1.24 -2.62 114.58 117.01 1jw0 h GLU 74 Ca 0.00 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jw0 h GLU 74 Cb 0.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1jw0 h GLU 74 CO 0.00 0.97 0.12 1.96 -0.73 0.00 0.00 179.01 181.33 1jw0 h GLN 75 N 0.72 0.29 -0.81 1.92 4.20 -1.84 -1.11 115.11 118.48 1jw0 h GLN 75 Ca 0.10 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1jw0 h GLN 75 Cb 0.74 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1jw0 h GLN 75 CO 0.06 0.24 0.36 1.15 -0.67 0.00 0.00 178.83 179.97 1jw0 h THR 76 N 0.25 1.26 -0.29 -0.54 2.02 -1.89 -0.64 112.91 113.09 1jw0 h THR 76 Ca 0.08 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1jw0 h THR 76 Cb 0.03 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1jw0 h THR 76 CO -0.01 0.32 0.13 0.74 0.37 0.00 0.00 175.52 177.07 1jw0 h THR 77 N 1.16 0.97 -0.85 3.16 2.02 -1.13 0.91 112.91 119.16 1jw0 h THR 77 Ca 0.27 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1jw0 h THR 77 Cb 0.16 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1jw0 h THR 77 CO -0.03 0.05 0.45 0.58 0.37 0.00 0.00 175.52 176.94 1jw0 h VAL 78 N 0.28 1.25 -0.47 3.16 2.07 -0.89 0.58 116.25 122.24 1jw0 h VAL 78 Ca 0.12 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1jw0 h VAL 78 Cb 0.05 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1jw0 h VAL 78 CO -0.09 0.29 0.22 -0.25 0.02 0.00 0.00 177.57 177.76 1jw0 h TRP 79 N 1.19 0.68 0.01 1.57 2.91 -0.42 -0.82 115.95 121.07 1jw0 h TRP 79 Ca 0.30 -0.03 -0.23 0.00 1.13 0.00 0.00 58.89 60.05 1jw0 h TRP 79 Cb 0.05 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 1jw0 h TRP 79 CO 0.01 0.55 -0.96 -0.07 -1.03 0.00 0.00 178.44 176.93 1jw0 h LEU 80 N 0.62 0.53 -0.09 0.65 3.38 -0.54 -3.00 115.31 116.86 1jw0 h LEU 80 Ca 0.16 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1jw0 h LEU 80 Cb 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jw0 h LEU 80 CO -0.02 1.24 -0.10 -0.07 0.09 0.00 0.00 178.44 179.57 1jw0 h LEU 81 N 0.22 0.24 -2.05 1.67 3.38 -0.85 -0.36 115.31 117.57 1jw0 h LEU 81 Ca -0.08 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.44 1jw0 h LEU 81 Cb 1.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1jw0 h LEU 81 CO 0.17 0.70 0.15 0.74 0.09 0.00 0.00 178.44 180.29 1jw0 h THR 82 N -0.21 0.83 -0.61 0.22 2.02 -1.24 0.31 112.91 114.24 1jw0 h THR 82 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1jw0 h THR 82 Cb 0.63 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1jw0 h THR 82 CO 0.02 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.50 1jw0 n ASN 83 N -4.37 3.97 -3.21 4.18 3.02 -1.13 -4.95 115.26 112.76 1jw0 n ASN 83 Ca 0.02 -2.25 -0.20 0.00 -0.03 0.00 0.00 54.58 52.12 1jw0 n ASN 83 Cb 0.29 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1jw0 n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jw0 n GLY 84 N 1.23 -0.48 0.12 7.41 0.00 0.11 -4.89 105.19 108.69 1jw0 n GLY 84 Ca 0.22 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1jw0 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jw0 h VAL 85 N -0.72 1.13 -0.40 1.61 2.07 -1.32 -1.39 116.25 117.23 1jw0 h VAL 85 Ca -0.38 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1jw0 h VAL 85 Cb 1.25 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1jw0 h VAL 85 CO 0.47 0.13 0.08 1.55 0.02 0.00 0.00 177.57 179.83 1jw0 h PRO 86 N 0.23 0.60 -0.04 1.57 0.13 -1.76 -0.20 132.00 132.53 1jw0 h PRO 86 Ca 0.08 -0.11 -0.24 0.00 -0.87 0.00 0.00 66.00 64.86 1jw0 h PRO 86 Cb 0.11 -0.10 0.02 0.00 0.13 0.00 0.00 31.00 31.16 1jw0 h PRO 86 CO -0.01 0.56 -0.92 1.49 -0.23 0.00 0.00 178.00 178.89 1jw0 h GLU 87 N 0.58 0.69 0.00 0.86 4.81 -1.91 -2.88 114.58 116.73 1jw0 h GLU 87 Ca 0.13 -0.69 -0.04 0.00 -0.13 0.00 0.00 59.36 58.63 1jw0 h GLU 87 Cb 0.24 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1jw0 h GLU 87 CO -0.00 1.28 -0.18 -0.09 -0.73 0.00 0.00 179.01 179.29 1jw0 h ARG 88 N 0.36 0.00 -0.52 1.92 2.43 -1.01 -0.74 114.38 116.81 1jw0 h ARG 88 Ca -0.10 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1jw0 h ARG 88 Cb 1.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1jw0 h ARG 88 CO 0.18 0.18 -0.04 0.00 -1.51 0.00 0.00 179.97 178.78 1jw0 h ALA 89 N 1.82 0.94 -0.30 2.80 0.00 -0.93 0.72 119.26 124.30 1jw0 h ALA 89 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jw0 h ALA 89 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jw0 h ALA 89 CO 0.02 0.63 0.17 1.96 0.00 0.00 0.00 179.25 182.03 1jw0 h GLN 90 N 0.84 0.42 0.36 0.00 1.08 -0.94 -0.34 115.11 116.53 1jw0 h GLN 90 Ca 0.15 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1jw0 h GLN 90 Cb 0.56 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1jw0 h GLN 90 CO 0.03 0.36 -0.17 1.96 -0.95 0.00 0.00 178.83 180.07 1jw0 h GLN 91 N 0.37 -0.46 -0.96 1.46 4.20 -1.02 -1.29 115.11 117.41 1jw0 h GLN 91 Ca 0.11 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.97 1jw0 h GLN 91 Cb 0.06 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 1jw0 h GLN 91 CO -0.02 -0.29 0.59 -1.49 -0.67 0.00 0.00 178.83 176.95 1jw0 h TRP 92 N -0.49 1.07 -0.14 2.96 4.06 -0.76 0.13 115.95 122.78 1jw0 h TRP 92 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1jw0 h TRP 92 Cb 0.38 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1jw0 h TRP 92 CO -0.05 0.41 0.09 -0.92 -3.56 0.00 0.00 178.44 174.41 1jw0 h TYR 93 N 0.93 0.18 0.00 0.49 3.20 -0.72 -2.09 116.97 118.96 1jw0 h TYR 93 Ca 0.48 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.31 1jw0 h TYR 93 Cb 0.48 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1jw0 h TYR 93 CO -0.02 0.14 -0.18 0.00 -1.64 0.00 0.00 178.16 176.45 1jw0 h ALA 94 N 1.03 1.61 -0.04 1.82 0.00 -0.03 -2.61 119.26 121.03 1jw0 h ALA 94 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jw0 h ALA 94 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jw0 h ALA 94 CO -0.01 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.51 1jw0 n GLN 95 N -4.19 1.37 -1.79 0.00 6.02 0.34 -4.90 117.38 114.23 1jw0 n GLN 95 Ca -0.02 -0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 56.10 1jw0 n GLN 95 Cb 0.25 -1.43 0.04 0.00 1.02 0.00 0.00 30.24 30.13 1jw0 n GLN 95 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1jw0 s GLN 96 N -1.95 2.94 0.49 -1.09 -1.52 -0.98 -4.99 119.66 112.55 1jw0 s GLN 96 Ca 0.37 1.26 -0.21 0.00 -1.95 0.00 0.00 55.36 54.83 1jw0 s GLN 96 Cb 0.19 -1.98 -0.07 0.00 -0.22 0.00 0.00 33.01 30.93 1jw0 s GLN 96 CO 0.30 -1.12 1.12 -1.54 -0.25 0.00 0.00 175.29 173.80 1jw0 s SER 97 N -2.85 6.08 0.25 5.90 1.04 -1.26 -4.80 113.70 118.05 1jw0 s SER 97 Ca 0.64 2.16 -0.05 0.00 0.48 0.00 0.00 55.95 59.19 1jw0 s SER 97 Cb -0.18 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 63.82 1jw0 s SER 97 CO 0.43 -0.97 1.67 -0.65 0.98 0.00 0.00 173.24 174.70 1jw0 h PRO 98 N 1.67 0.23 0.17 4.02 0.11 -1.96 -0.68 132.00 135.56 1jw0 h PRO 98 Ca -0.50 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jw0 h PRO 98 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1jw0 h PRO 98 CO 0.59 0.15 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.84 1jw0 h ASP 99 N 0.23 -0.71 -0.29 -2.05 3.32 -2.00 -1.71 116.42 113.22 1jw0 h ASP 99 Ca 0.42 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.44 1jw0 h ASP 99 Cb 0.73 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1jw0 h ASP 99 CO -0.54 -0.35 -0.18 0.15 -1.72 0.00 0.00 179.24 176.59 1jw0 h PHE 100 N -0.49 0.84 -0.08 4.55 3.57 -1.83 -2.17 116.94 121.34 1jw0 h PHE 100 Ca 0.02 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1jw0 h PHE 100 Cb 0.49 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1jw0 h PHE 100 CO -0.21 0.87 0.04 -0.09 -2.23 0.00 0.00 178.31 176.70 1jw0 h ARG 101 N 0.66 0.10 -0.38 1.11 2.43 -0.93 0.07 114.38 117.44 1jw0 h ARG 101 Ca 0.10 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1jw0 h ARG 101 Cb 0.67 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1jw0 h ARG 101 CO 0.05 0.07 -0.22 0.00 -1.51 0.00 0.00 179.97 178.37 1jw0 h ALA 102 N 1.95 0.90 -0.25 2.80 0.00 -0.66 -0.66 119.26 123.34 1jw0 h ALA 102 Ca 0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1jw0 h ALA 102 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jw0 h ALA 102 CO -0.01 0.62 -0.38 -0.91 0.00 0.00 0.00 179.25 178.57 1jw0 h ASN 103 N 0.66 0.59 -0.35 0.00 2.35 -0.81 -1.67 115.58 116.36 1jw0 h ASN 103 Ca 0.09 -0.26 -0.14 0.00 -0.55 0.00 0.00 56.30 55.44 1jw0 h ASN 103 Cb 0.72 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1jw0 h ASN 103 CO 0.06 0.92 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.34 1jw0 h LEU 104 N 0.47 0.91 -0.98 1.61 3.38 -1.00 -0.98 115.31 118.73 1jw0 h LEU 104 Ca 0.04 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1jw0 h LEU 104 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1jw0 h LEU 104 CO 0.08 1.19 0.23 0.44 0.09 0.00 0.00 178.44 180.46 1jw0 h ASP 105 N 0.65 0.90 -0.62 -0.43 3.32 -1.02 -1.94 116.42 117.29 1jw0 h ASP 105 Ca 0.06 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1jw0 h ASP 105 Cb 0.93 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1jw0 h ASP 105 CO 0.09 0.82 0.07 0.00 -1.72 0.00 0.00 179.24 178.50 1jw0 h ALA 106 N 1.30 0.82 -0.12 3.45 0.00 -1.07 -0.56 119.26 123.08 1jw0 h ALA 106 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jw0 h ALA 106 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jw0 h ALA 106 CO -0.01 0.61 0.07 0.35 0.00 0.00 0.00 179.25 180.26 1jw0 h PHE 107 N 0.95 0.16 -0.52 0.00 3.57 -0.71 0.23 116.94 120.63 1jw0 h PHE 107 Ca 0.18 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1jw0 h PHE 107 Cb 0.47 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1jw0 h PHE 107 CO 0.03 0.17 0.06 0.00 -2.23 0.00 0.00 178.31 176.34 1jw0 h ALA 108 N 0.98 1.13 -0.50 2.41 0.00 -1.26 -2.20 119.26 119.82 1jw0 h ALA 108 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1jw0 h ALA 108 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1jw0 h ALA 108 CO -0.01 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.92 1jw0 h ALA 109 N 1.27 1.25 -0.66 0.00 0.00 -0.70 -0.34 119.26 120.09 1jw0 h ALA 109 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1jw0 h ALA 109 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jw0 h ALA 109 CO 0.01 0.52 0.10 0.78 0.00 0.00 0.00 179.25 180.66 1jw0 h GLY 110 N 0.94 1.17 0.69 0.00 0.00 -0.37 0.15 103.07 105.66 1jw0 h GLY 110 Ca 0.16 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1jw0 h GLY 110 CO 0.00 0.73 -0.01 -2.22 0.00 0.00 0.00 176.54 175.04 1jw0 h ILE 111 N 1.02 1.27 -0.51 2.60 2.04 -0.93 -1.55 117.51 121.45 1jw0 h ILE 111 Ca 0.20 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1jw0 h ILE 111 Cb 0.45 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1jw0 h ILE 111 CO 0.01 0.23 0.25 0.78 0.00 0.00 0.00 178.15 179.42 1jw0 h ASN 112 N -0.24 0.35 -0.23 1.72 2.35 -0.93 -1.69 115.58 116.91 1jw0 h ASN 112 Ca 0.01 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1jw0 h ASN 112 Cb 0.36 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 1jw0 h ASN 112 CO 0.00 0.24 -0.00 0.00 -1.65 0.00 0.00 177.43 176.02 1jw0 h ALA 113 N 1.28 0.20 -0.39 -0.83 0.00 -0.63 0.67 119.26 119.56 1jw0 h ALA 113 Ca 0.23 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1jw0 h ALA 113 Cb 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jw0 h ALA 113 CO -0.17 -0.43 0.22 -0.92 0.00 0.00 0.00 179.25 177.96 1jw0 h TYR 114 N 0.07 0.42 -0.43 0.00 3.20 -0.82 -0.49 116.97 118.91 1jw0 h TYR 114 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1jw0 h TYR 114 Cb 0.14 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1jw0 h TYR 114 CO -0.19 0.24 0.20 0.00 -1.64 0.00 0.00 178.16 176.77 1jw0 h ALA 115 N 1.18 1.55 -0.01 1.82 0.00 -0.85 0.12 119.26 123.07 1jw0 h ALA 115 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jw0 h ALA 115 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jw0 h ALA 115 CO -0.08 0.36 0.00 0.37 0.00 0.00 0.00 179.25 179.91 1jw0 h GLN 116 N 0.60 0.02 0.00 0.00 5.75 0.10 -2.38 115.11 119.19 1jw0 h GLN 116 Ca 0.15 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1jw0 h GLN 116 Cb 0.07 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1jw0 h GLN 116 CO -0.02 0.22 0.00 0.37 -2.65 0.00 0.00 178.83 176.75 1jw0 h GLN 117 N -0.19 0.00 -1.89 1.69 5.75 -0.76 -3.36 115.11 116.35 1jw0 h GLN 117 Ca 0.00 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.01 1jw0 h GLN 117 Cb 0.21 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 28.35 1jw0 h GLN 117 CO -0.00 0.00 -1.05 0.09 -2.65 0.00 0.00 178.83 175.22 1jw0 n ASN 118 N -2.84 1.95 0.02 -0.69 3.02 0.40 -4.94 115.26 112.19 1jw0 n ASN 118 Ca 0.04 -3.16 0.20 0.00 -0.03 0.00 0.00 54.58 51.63 1jw0 n ASN 118 Cb 0.44 -0.58 0.70 0.00 -0.61 0.00 0.00 39.78 39.73 1jw0 n ASN 118 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jw0 h PRO 119 N 2.97 0.00 0.00 3.52 0.13 -1.59 -0.72 132.00 136.32 1jw0 h PRO 119 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1jw0 h PRO 119 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1jw0 h PRO 119 CO 0.59 0.00 -0.15 0.38 -0.23 0.00 0.00 178.00 178.59 1jw0 h ASP 120 N 0.00 0.00 0.45 1.44 2.03 -1.92 -2.77 116.42 115.66 1jw0 h ASP 120 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1jw0 h ASP 120 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1jw0 h ASP 120 CO -0.00 0.15 -0.09 0.47 -1.03 0.00 0.00 179.24 178.73 1jw0 n ASP 121 N -3.36 0.31 -4.67 4.15 8.00 -0.28 -4.78 116.55 115.93 1jw0 n ASP 121 Ca -0.00 -0.39 -0.36 0.00 0.71 0.00 0.00 54.79 54.74 1jw0 n ASP 121 Cb 0.35 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 1jw0 n ASP 121 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jw0 s ILE 122 N -2.54 5.31 0.24 0.53 -1.09 -1.05 -4.82 121.20 117.78 1jw0 s ILE 122 Ca 0.28 0.16 -0.31 0.00 -2.23 0.00 0.00 60.65 58.55 1jw0 s ILE 122 Cb 0.20 -3.46 -0.11 0.00 -1.58 0.00 0.00 42.46 37.51 1jw0 s ILE 122 CO 0.48 0.37 1.54 -0.55 -1.23 0.00 0.00 174.94 175.55 1jw0 s SER 123 N 0.88 6.54 0.20 3.58 0.15 -1.26 -4.92 113.70 118.86 1jw0 s SER 123 Ca 0.07 2.75 -0.24 0.00 0.70 0.00 0.00 55.95 59.24 1jw0 s SER 123 Cb -0.13 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.66 1jw0 s SER 123 CO 0.03 -0.81 1.55 -0.65 1.20 0.00 0.00 173.24 174.55 1jw0 h PRO 124 N 5.57 -0.01 -0.60 5.44 0.11 -1.96 -1.76 132.00 138.79 1jw0 h PRO 124 Ca -0.45 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.83 1jw0 h PRO 124 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1jw0 h PRO 124 CO 0.83 -0.01 0.47 0.93 -0.21 0.00 0.00 178.00 180.02 1jw0 h GLU 125 N -0.01 0.00 -0.69 1.05 5.08 -2.00 -1.69 114.58 116.33 1jw0 h GLU 125 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1jw0 h GLU 125 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jw0 h GLU 125 CO -0.95 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 178.39 1jw0 n VAL 126 N -4.15 0.96 -0.01 3.13 0.24 -0.67 -4.40 118.33 113.44 1jw0 n VAL 126 Ca 0.11 -0.98 -0.09 0.00 -2.04 0.00 0.00 64.34 61.35 1jw0 n VAL 126 Cb 0.71 0.54 0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1jw0 n VAL 126 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jw0 h ARG 127 N 4.18 0.58 0.00 7.34 3.08 -1.25 -2.98 114.38 125.33 1jw0 h ARG 127 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1jw0 h ARG 127 Cb 0.98 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1jw0 h ARG 127 CO 0.00 0.93 0.00 -0.56 -1.07 0.00 0.00 179.97 179.27 1jw0 h GLN 128 N 0.46 0.00 -0.40 0.04 3.07 -1.77 -2.11 115.11 114.40 1jw0 h GLN 128 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.63 1jw0 h GLN 128 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.57 1jw0 h GLN 128 CO 0.09 0.00 -0.26 0.28 0.09 0.00 0.00 178.83 179.04 1jw0 h VAL 129 N 0.00 1.28 -4.06 1.86 2.07 -1.83 -3.45 116.25 112.12 1jw0 h VAL 129 Ca 0.00 -1.41 -0.55 0.00 0.82 0.00 0.00 66.70 65.55 1jw0 h VAL 129 Cb 0.08 1.30 0.14 0.00 -1.52 0.00 0.00 31.29 31.29 1jw0 h VAL 129 CO 0.00 0.47 0.60 -0.76 0.02 0.00 0.00 177.57 177.91 1jw0 s LEU 130 N -9.04 3.80 0.37 2.57 1.43 -0.79 -4.37 118.68 112.65 1jw0 s LEU 130 Ca -0.12 2.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.62 1jw0 s LEU 130 Cb 0.11 -4.33 -0.08 0.00 0.03 0.00 0.00 46.19 41.92 1jw0 s LEU 130 CO 0.86 -1.68 0.78 -2.16 0.23 0.00 0.00 176.35 174.38 1jw0 s PRO 131 N -2.99 3.92 0.34 1.29 0.04 -1.26 -5.08 135.00 131.26 1jw0 s PRO 131 Ca 0.74 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 1jw0 s PRO 131 Cb -0.41 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1jw0 s PRO 131 CO 0.47 0.04 0.59 0.14 0.04 0.00 0.00 177.00 178.28 1jw0 s VAL 132 N -2.19 5.03 0.36 -0.36 -7.23 -1.26 -5.11 120.40 109.64 1jw0 s VAL 132 Ca 0.54 -0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.65 1jw0 s VAL 132 Cb -0.10 -3.80 -0.06 0.00 0.56 0.00 0.00 36.38 32.98 1jw0 s VAL 132 CO 0.24 -0.49 0.06 -0.94 -0.31 0.00 0.00 175.10 173.65 1jw0 s SER 133 N -3.62 2.75 0.35 4.85 1.04 -1.26 -4.73 113.70 113.09 1jw0 s SER 133 Ca 0.43 -1.43 0.04 0.00 0.48 0.00 0.00 55.95 55.48 1jw0 s SER 133 Cb -0.10 -0.03 0.69 0.00 0.10 0.00 0.00 66.02 66.68 1jw0 s SER 133 CO 0.34 -0.64 1.97 1.23 0.98 0.00 0.00 173.24 177.13 1jw0 h GLY 134 N 1.98 0.95 1.64 7.32 0.00 -1.88 -0.98 103.07 112.11 1jw0 h GLY 134 Ca -0.41 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1jw0 h GLY 134 CO 0.70 0.26 -0.02 0.00 0.00 0.00 0.00 176.54 177.49 1jw0 h ALA 135 N 1.60 1.43 -0.53 3.60 0.00 -1.93 -1.75 119.26 121.68 1jw0 h ALA 135 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jw0 h ALA 135 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jw0 h ALA 135 CO -0.09 0.40 0.30 -0.44 0.00 0.00 0.00 179.25 179.42 1jw0 h ASP 136 N 0.44 0.67 -0.95 0.00 3.32 -1.56 0.65 116.42 118.98 1jw0 h ASP 136 Ca 0.09 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jw0 h ASP 136 Cb 0.32 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1jw0 h ASP 136 CO 0.01 0.56 0.60 0.58 -1.72 0.00 0.00 179.24 179.27 1jw0 h VAL 137 N 0.72 1.25 -0.23 -1.35 2.07 -1.14 -1.08 116.25 116.48 1jw0 h VAL 137 Ca 0.19 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1jw0 h VAL 137 Cb 0.04 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1jw0 h VAL 137 CO -0.03 0.25 -0.18 0.58 0.02 0.00 0.00 177.57 178.21 1jw0 h VAL 138 N 1.29 1.31 0.31 2.57 2.07 -0.67 -2.84 116.25 120.30 1jw0 h VAL 138 Ca 0.34 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1jw0 h VAL 138 Cb -0.11 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1jw0 h VAL 138 CO -0.07 0.41 -0.43 0.00 0.02 0.00 0.00 177.57 177.50 1jw0 h ALA 139 N 0.68 -0.88 -0.20 1.67 0.00 0.86 0.39 119.26 121.79 1jw0 h ALA 139 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1jw0 h ALA 139 Cb 0.71 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1jw0 h ALA 139 CO 0.05 -1.04 -0.25 1.25 0.00 0.00 0.00 179.25 179.26 1jw0 h HIS 140 N -0.79 -0.66 -0.91 0.00 6.17 -1.29 0.13 115.15 117.80 1jw0 h HIS 140 Ca -0.02 0.04 0.11 0.00 0.71 0.00 0.00 60.37 61.20 1jw0 h HIS 140 Cb 0.74 0.32 -0.08 0.00 2.52 0.00 0.00 27.41 30.91 1jw0 h HIS 140 CO -0.28 -0.33 0.55 0.00 0.71 0.00 0.00 177.93 178.58 1jw0 h ALA 141 N 0.71 1.33 -0.27 5.26 0.00 -1.32 0.20 119.26 125.18 1jw0 h ALA 141 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1jw0 h ALA 141 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jw0 h ALA 141 CO -0.36 0.17 -0.11 1.25 0.00 0.00 0.00 179.25 180.21 1jw0 h HIS 142 N 0.90 0.47 -0.14 0.00 6.17 0.52 -2.88 115.15 120.19 1jw0 h HIS 142 Ca 0.44 -0.06 -0.15 0.00 0.71 0.00 0.00 60.37 61.31 1jw0 h HIS 142 Cb 0.41 -0.13 0.01 0.00 2.52 0.00 0.00 27.41 30.22 1jw0 h HIS 142 CO -0.03 0.54 -0.50 -0.09 0.71 0.00 0.00 177.93 178.56 1jw0 h ARG 143 N 0.41 0.58 -0.01 5.26 2.43 0.15 -2.50 114.38 120.70 1jw0 h ARG 143 Ca 0.08 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1jw0 h ARG 143 Cb 0.44 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1jw0 h ARG 143 CO 0.02 1.06 0.00 -0.11 -1.51 0.00 0.00 179.97 179.44 1jw0 n LEU 144 N -4.21 0.01 0.00 3.80 7.94 0.47 -0.99 117.00 124.03 1jw0 n LEU 144 Ca -0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1jw0 n LEU 144 Cb 0.59 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1jw0 n LEU 144 CO 0.47 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 177.34 1jw0 n ASN 146 N -0.43 0.00 -1.12 1.96 3.02 -0.94 -1.98 115.26 115.76 1jw0 n ASN 146 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1jw0 n ASN 146 Cb 0.00 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.33 1jw0 n ASN 146 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1jw0 n PHE 147 N -1.35 1.00 0.14 3.10 3.01 -0.16 -0.98 117.46 122.23 1jw0 n PHE 147 Ca 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 57.45 56.71 1jw0 n PHE 147 Cb 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1jw0 n PHE 147 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1jw0 n LEU 148 N -1.01 -1.44 0.07 4.37 4.77 -0.98 -4.52 117.00 118.25 1jw0 n LEU 148 Ca 0.29 0.52 -0.03 0.00 -0.03 0.00 0.00 56.01 56.76 1jw0 n LEU 148 Cb 0.83 1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 43.40 1jw0 n LEU 148 CO 0.14 -0.38 0.21 1.88 -1.33 0.00 0.00 177.39 177.91 1jw0 h TYR 149 N 0.00 -0.19 0.52 -1.77 -1.99 -1.65 -3.31 116.97 108.57 1jw0 h TYR 149 Ca 0.00 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1jw0 h TYR 149 Cb 0.00 0.06 0.01 0.00 2.00 0.00 0.00 36.73 38.80 1jw0 h TYR 149 CO 0.00 -0.12 -0.25 0.28 -0.00 0.00 0.00 178.16 178.07 1jw0 h VAL 150 N -0.43 0.00 -3.43 -2.88 2.07 -1.82 -3.40 116.25 106.36 1jw0 h VAL 150 Ca -0.02 -0.26 -0.68 0.00 0.82 0.00 0.00 66.70 66.56 1jw0 h VAL 150 Cb 0.16 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 29.56 1jw0 h VAL 150 CO 0.04 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 1jw0 s ALA 151 N -4.40 3.73 0.38 1.67 0.00 -0.15 -5.01 121.76 117.98 1jw0 s ALA 151 Ca -0.10 -3.47 -0.25 0.00 0.00 0.00 0.00 51.96 48.14 1jw0 s ALA 151 Cb 0.01 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 1jw0 s ALA 151 CO 0.30 -2.11 1.09 -1.54 0.00 0.00 0.00 175.76 173.51 1jw0 s SER 152 N 0.12 6.74 0.62 0.00 1.04 -1.25 -3.78 113.70 117.20 1jw0 s SER 152 Ca 0.20 2.17 0.39 0.00 0.48 0.00 0.00 55.95 59.19 1jw0 s SER 152 Cb -0.16 -2.60 2.08 0.00 0.10 0.00 0.00 66.02 65.44 1jw0 s SER 152 CO -0.06 -0.51 2.26 1.55 0.98 0.00 0.00 173.24 177.46 1jw0 h PRO 153 N 2.72 0.00 -0.21 4.02 0.13 -1.89 -2.65 132.00 134.12 1jw0 h PRO 153 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1jw0 h PRO 153 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1jw0 h PRO 153 CO 0.63 0.01 -0.06 0.78 -0.23 0.00 0.00 178.00 179.13 1jw0 h GLY 154 N 0.44 0.45 2.00 1.56 0.00 -1.91 -1.96 103.07 103.66 1jw0 h GLY 154 Ca -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1jw0 h GLY 154 CO 0.00 0.35 -0.29 3.21 0.00 0.00 0.00 176.54 179.81 1jw0 h ARG 155 N 0.14 0.00 0.05 4.80 3.08 -1.77 0.87 114.38 121.55 1jw0 h ARG 155 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1jw0 h ARG 155 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1jw0 h ARG 155 CO 0.02 0.29 -0.29 1.15 -1.07 0.00 0.00 179.97 180.07 1jw0 h THR 156 N 0.00 1.68 0.00 2.04 2.02 -1.51 -3.36 112.91 113.77 1jw0 h THR 156 Ca -0.00 -2.35 -0.20 0.00 0.77 0.00 0.00 66.41 64.62 1jw0 h THR 156 Cb 0.56 3.25 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 1jw0 h THR 156 CO 0.04 0.63 -1.10 -0.07 0.37 0.00 0.00 175.52 175.39 1jw0 h LEU 157 N -0.74 0.00 0.00 2.58 3.38 -1.34 -3.52 115.31 115.67 1jw0 h LEU 157 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jw0 h LEU 157 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1jw0 h LEU 157 CO 0.06 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.05