#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx n GLY 2 N 0.00 0.90 3.70 3.17 0.00 -1.26 -5.12 105.19 106.58 2jwx n GLY 2 Ca 0.00 0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2jwx n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 3 N 1.72 4.26 0.66 1.61 -0.21 -1.26 -5.03 119.66 121.40 2jwx s GLN 3 Ca 0.00 0.26 -0.15 0.00 0.02 0.00 0.00 55.36 55.50 2jwx s GLN 3 Cb 0.00 -3.47 -0.00 0.00 1.00 0.00 0.00 33.01 30.54 2jwx s GLN 3 CO 0.00 0.11 1.09 -1.25 -2.12 0.00 0.00 175.29 173.12 2jwx s PRO 4 N 0.84 2.87 0.38 2.91 0.04 -1.26 -5.03 135.00 135.76 2jwx s PRO 4 Ca 0.21 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 2jwx s PRO 4 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2jwx s PRO 4 CO 0.08 -1.18 1.05 -1.25 0.04 0.00 0.00 177.00 175.73 2jwx s PRO 5 N -4.20 4.25 0.19 0.56 0.04 -1.26 -4.87 135.00 129.71 2jwx s PRO 5 Ca 0.65 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2jwx s PRO 5 Cb -0.19 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2jwx s PRO 5 CO 0.42 -0.07 0.00 0.00 0.04 0.00 0.00 177.00 177.39 2jwx n ALA 6 N 0.13 -1.93 -1.35 8.56 0.00 -1.26 -5.08 120.51 119.57 2jwx n ALA 6 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2jwx n ALA 6 Cb 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2jwx n ALA 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jwx n GLU 7 N -2.87 -3.45 -0.17 0.00 -0.58 -1.26 -4.88 120.64 107.43 2jwx n GLU 7 Ca -0.00 2.56 0.11 0.00 -0.42 0.00 0.00 57.16 59.42 2jwx n GLU 7 Cb 0.34 -2.67 0.25 0.00 -0.57 0.00 0.00 31.44 28.79 2jwx n GLU 7 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2jwx n GLU 8 N 0.73 2.34 -2.71 3.49 0.28 -1.26 -4.82 120.64 118.69 2jwx n GLU 8 Ca 0.00 -2.03 -0.42 0.00 -0.16 0.00 0.00 57.16 54.55 2jwx n GLU 8 Cb 0.00 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.35 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jwx s ALA 9 N -1.55 3.06 0.16 -1.84 0.00 -1.26 -4.72 121.76 115.60 2jwx s ALA 9 Ca 0.37 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2jwx s ALA 9 Cb 0.22 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2jwx s ALA 9 CO 0.30 -2.58 0.00 -1.91 0.00 0.00 0.00 175.76 171.58 2jwx n GLU 10 N 8.01 0.00 0.32 0.00 0.00 -1.26 -4.29 120.64 123.42 2jwx n GLU 10 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.03 2jwx n GLU 10 Cb 0.48 -0.20 -0.09 0.00 0.00 0.00 0.00 31.44 31.63 2jwx n GLU 10 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2jwx h GLN 11 N 0.00 -0.91 -5.83 5.31 7.50 -1.89 -3.37 115.11 115.92 2jwx h GLN 11 Ca 0.00 0.06 -0.64 0.00 0.50 0.00 0.00 58.65 58.57 2jwx h GLN 11 Cb 0.00 0.21 -0.06 0.00 0.05 0.00 0.00 27.48 27.68 2jwx h GLN 11 CO 0.00 -0.61 -0.42 -1.25 -1.50 0.00 0.00 178.83 175.06 2jwx s PRO 12 N -5.97 3.54 0.00 1.46 0.04 -1.26 -4.71 135.00 128.10 2jwx s PRO 12 Ca -0.18 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2jwx s PRO 12 Cb 0.04 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2jwx s PRO 12 CO 0.62 0.69 0.00 0.41 0.04 0.00 0.00 177.00 178.76 2jwx n GLY 13 N 1.35 2.20 3.77 0.56 0.00 -1.26 -4.71 105.19 107.11 2jwx n GLY 13 Ca -0.14 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx s ALA 14 N 0.00 2.62 0.01 4.61 0.00 -1.26 -5.04 121.76 122.70 2jwx s ALA 14 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2jwx s ALA 14 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2jwx s ALA 14 CO 0.00 -0.94 0.12 -1.17 0.00 0.00 0.00 175.76 173.78 2jwx s LEU 15 N -4.03 4.08 -0.38 0.00 2.96 -1.26 -4.72 118.68 115.33 2jwx s LEU 15 Ca 0.73 0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 54.70 2jwx s LEU 15 Cb -0.25 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.00 2jwx s LEU 15 CO 0.30 0.25 0.53 0.00 -1.32 0.00 0.00 176.35 176.12 2jwx n ALA 16 N 0.96 -3.02 -3.02 5.97 0.00 -1.26 -5.06 120.51 115.07 2jwx n ALA 16 Ca -0.11 1.06 -0.00 0.00 0.00 0.00 0.00 53.44 54.38 2jwx n ALA 16 Cb 0.52 -3.38 -0.00 0.00 0.00 0.00 0.00 19.45 16.59 2jwx n ALA 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jwx n ARG 17 N -0.31 0.02 -0.96 0.00 -4.01 -1.26 -4.92 116.66 105.22 2jwx n ARG 17 Ca 0.11 -0.06 0.12 0.00 -1.04 0.00 0.00 57.85 56.98 2jwx n ARG 17 Cb 0.41 0.06 -0.04 0.00 -3.04 0.00 0.00 32.46 29.85 2jwx n ARG 17 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2jwx n GLU 18 N -0.01 -2.06 -1.64 2.89 2.13 -1.26 -4.79 120.64 115.90 2jwx n GLU 18 Ca -0.00 1.52 -0.48 0.00 0.66 0.00 0.00 57.16 58.85 2jwx n GLU 18 Cb 0.01 -2.46 -0.05 0.00 0.27 0.00 0.00 31.44 29.21 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2jwx n PHE 19 N -3.63 2.00 -4.14 4.31 -1.74 -1.13 -4.37 117.46 108.76 2jwx n PHE 19 Ca -0.02 0.40 -0.13 0.00 -0.56 0.00 0.00 57.45 57.13 2jwx n PHE 19 Cb 0.45 -2.47 -0.11 0.00 1.52 0.00 0.00 39.48 38.87 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2jwx s LEU 20 N 0.81 2.39 0.08 5.98 0.05 -1.21 -4.73 118.68 122.06 2jwx s LEU 20 Ca 0.81 -0.79 -0.13 0.00 0.05 0.00 0.00 54.13 54.07 2jwx s LEU 20 Cb -0.78 -0.22 0.02 0.00 -2.05 0.00 0.00 46.19 43.16 2jwx s LEU 20 CO 0.41 -0.29 0.31 0.00 -0.55 0.00 0.00 176.35 176.23 2jwx s ALA 21 N -2.42 -0.65 -0.21 1.48 0.00 -1.26 -3.89 121.76 114.82 2jwx s ALA 21 Ca 0.03 -0.18 0.18 0.00 0.00 0.00 0.00 51.96 51.98 2jwx s ALA 21 Cb -0.03 0.50 0.06 0.00 0.00 0.00 0.00 23.12 23.65 2jwx s ALA 21 CO -0.01 -0.52 1.27 0.00 0.00 0.00 0.00 175.76 176.50 2jwx h ALA 22 N 2.78 0.70 -2.65 0.00 0.00 -1.97 -3.44 119.26 114.69 2jwx h ALA 22 Ca -0.33 -0.40 -0.31 0.00 0.00 0.00 0.00 54.91 53.87 2jwx h ALA 22 Cb 1.22 0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.68 2jwx h ALA 22 CO 0.49 0.49 -0.62 1.41 0.00 0.00 0.00 179.25 181.02 2jwx s MET 23 N -3.06 0.16 0.26 0.00 -2.45 -1.26 -5.10 119.30 107.85 2jwx s MET 23 Ca 0.02 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 2jwx s MET 23 Cb 0.08 -0.99 0.00 0.00 1.25 0.00 0.00 34.83 35.17 2jwx s MET 23 CO 0.75 -0.57 0.00 0.39 1.05 0.00 0.00 175.02 176.64 2jwx n GLU 24 N 5.32 -1.96 -3.52 4.11 1.02 -1.26 -4.79 120.64 119.57 2jwx n GLU 24 Ca -0.05 1.50 -0.37 0.00 -0.02 0.00 0.00 57.16 58.22 2jwx n GLU 24 Cb 0.50 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 2jwx n GLU 24 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jwx s PRO 25 N -4.74 4.25 0.69 3.49 0.04 -1.26 -4.74 135.00 132.73 2jwx s PRO 25 Ca 0.00 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.04 2jwx s PRO 25 Cb 0.00 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 31.12 2jwx s PRO 25 CO 0.00 0.20 1.06 -1.21 0.04 0.00 0.00 177.00 177.09 2jwx s GLU 26 N 0.57 2.77 1.08 4.56 0.41 -1.26 -5.08 118.70 121.75 2jwx s GLU 26 Ca 0.17 0.30 -0.18 0.00 -0.41 0.00 0.00 54.97 54.85 2jwx s GLU 26 Cb -0.13 -2.08 0.28 0.00 -1.78 0.00 0.00 34.13 30.42 2jwx s GLU 26 CO 0.04 -1.02 0.73 -2.30 -0.49 0.00 0.00 175.26 172.22 2jwx n PRO 27 N -2.94 -3.74 -1.68 0.39 -0.02 -1.26 -4.96 135.00 120.78 2jwx n PRO 27 Ca 0.06 -1.20 -0.37 0.00 -2.02 0.00 0.00 63.50 59.97 2jwx n PRO 27 Cb 0.58 -1.40 0.07 0.00 -0.02 0.00 0.00 33.50 32.72 2jwx n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx n ALA 28 N -4.96 0.90 -0.84 3.55 0.00 -1.26 -4.99 120.51 112.92 2jwx n ALA 28 Ca -0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2jwx n ALA 28 Cb 0.46 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.74 2jwx n ALA 28 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jwx n PRO 29 N -1.78 -0.60 -3.09 0.00 -0.02 -1.26 -4.96 135.00 123.30 2jwx n PRO 29 Ca 0.15 -0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2jwx n PRO 29 Cb 0.48 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 2jwx n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx n ALA 30 N -3.63 4.84 -0.32 3.55 0.00 -1.26 -4.88 120.51 118.81 2jwx n ALA 30 Ca 0.01 -4.75 -0.00 0.00 0.00 0.00 0.00 53.44 48.70 2jwx n ALA 30 Cb 0.61 -1.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 2jwx n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 31 N 0.66 0.65 -3.72 0.00 -0.04 -1.26 -4.75 135.00 126.54 2jwx n PRO 31 Ca 0.31 -0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.38 2jwx n PRO 31 Cb 0.36 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 32 N 0.78 3.17 -0.16 0.55 0.00 -1.26 -5.07 121.76 119.76 2jwx s ALA 32 Ca 0.01 -2.32 -0.29 0.00 0.00 0.00 0.00 51.96 49.36 2jwx s ALA 32 Cb 0.01 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2jwx s ALA 32 CO 0.00 -1.70 1.09 -2.14 0.00 0.00 0.00 175.76 173.01 2jwx s PRO 33 N 1.26 4.31 0.62 0.00 0.02 -1.26 -4.35 135.00 135.60 2jwx s PRO 33 Ca 0.05 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.52 2jwx s PRO 33 Cb -0.23 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.67 2jwx s PRO 33 CO -0.02 -0.53 0.00 0.39 -0.33 0.00 0.00 177.00 176.52 2jwx n GLU 34 N 5.84 -1.25 -0.89 5.54 -0.58 -1.26 -4.89 120.64 123.15 2jwx n GLU 34 Ca 0.11 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 2jwx n GLU 34 Cb 0.47 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jwx n GLU 35 N -2.45 -0.74 -1.30 3.49 -0.58 -1.26 -4.82 120.64 112.99 2jwx n GLU 35 Ca 0.00 0.18 0.15 0.00 -0.42 0.00 0.00 57.16 57.08 2jwx n GLU 35 Cb 0.28 -3.98 -0.07 0.00 -0.57 0.00 0.00 31.44 27.11 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2jwx n TRP 36 N -2.27 -3.17 -4.04 -0.32 7.02 -1.26 -4.95 117.44 108.44 2jwx n TRP 36 Ca 0.00 1.71 -0.23 0.00 -1.02 0.00 0.00 57.50 57.96 2jwx n TRP 36 Cb 0.18 -2.89 -0.17 0.00 -2.42 0.00 0.00 31.31 26.02 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N -6.69 1.13 -0.73 -0.99 2.96 -0.97 -4.94 118.68 108.45 2jwx s LEU 37 Ca 0.00 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.45 2jwx s LEU 37 Cb 0.00 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.10 2jwx s LEU 37 CO 0.00 -0.10 1.44 -0.62 -1.32 0.00 0.00 176.35 175.75 2jwx s ASP 38 N 1.40 5.95 0.15 3.68 -1.08 -1.26 -2.25 116.67 123.25 2jwx s ASP 38 Ca -0.03 -0.32 -0.23 0.00 -0.52 0.00 0.00 52.55 51.45 2jwx s ASP 38 Cb -0.13 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2jwx s ASP 38 CO -0.03 -1.97 1.63 0.40 0.52 0.00 0.00 175.17 175.72 2jwx h ILE 39 N 6.30 0.39 -0.20 4.11 2.04 -0.37 -2.18 117.51 127.60 2jwx h ILE 39 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2jwx h ILE 39 Cb 1.07 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2jwx h ILE 39 CO 1.27 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 179.31 2jwx n LEU 40 N -5.38 3.02 -1.95 1.44 0.00 -1.26 -4.89 117.00 107.98 2jwx n LEU 40 Ca -0.01 -1.28 -0.16 0.00 0.00 0.00 0.00 56.01 54.56 2jwx n LEU 40 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 43.42 43.55 2jwx n LEU 40 CO 0.15 0.60 -0.18 0.61 0.00 0.00 0.00 177.39 178.57 2jwx n GLY 41 N 1.24 0.49 0.03 -3.96 0.00 -0.82 -4.82 105.19 97.35 2jwx n GLY 41 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2jwx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jwx n ASN 42 N -1.37 0.41 0.00 1.61 2.04 -1.26 -4.96 115.26 111.72 2jwx n ASN 42 Ca -0.18 -0.11 0.00 0.00 -0.44 0.00 0.00 54.58 53.85 2jwx n ASN 42 Cb 0.59 1.34 0.00 0.00 -2.53 0.00 0.00 39.78 39.17 2jwx n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jwx n GLY 43 N 1.30 3.00 0.11 4.83 0.00 -1.26 -4.79 105.19 108.38 2jwx n GLY 43 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2jwx n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jwx n LEU 44 N 0.00 0.84 -4.00 0.99 7.99 -1.26 -4.82 117.00 116.74 2jwx n LEU 44 Ca 0.00 0.34 -0.31 0.00 -0.01 0.00 0.00 56.01 56.03 2jwx n LEU 44 Cb 0.00 -0.01 -0.15 0.00 -0.11 0.00 0.00 43.42 43.14 2jwx n LEU 44 CO 0.00 -0.08 -0.41 -0.22 -1.51 0.00 0.00 177.39 175.17 2jwx s LEU 45 N -5.48 3.32 -0.00 2.23 1.98 -1.24 -1.91 118.68 117.59 2jwx s LEU 45 Ca -0.01 -1.48 -0.01 0.00 -2.89 0.00 0.00 54.13 49.74 2jwx s LEU 45 Cb 0.09 -1.39 -0.00 0.00 0.66 0.00 0.00 46.19 45.55 2jwx s LEU 45 CO 0.80 -0.25 0.01 -0.13 -1.89 0.00 0.00 176.35 174.89 2jwx s ARG 46 N 1.20 0.07 -0.06 1.98 0.52 0.10 0.45 118.95 123.22 2jwx s ARG 46 Ca -0.03 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2jwx s ARG 46 Cb -0.19 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.28 2jwx s ARG 46 CO -0.07 -0.01 -0.15 0.21 0.02 0.00 0.00 175.30 175.30 2jwx s LYS 47 N -0.26 2.62 -0.07 3.54 2.20 -0.95 -0.14 119.74 126.67 2jwx s LYS 47 Ca -0.03 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2jwx s LYS 47 Cb -0.02 -2.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2jwx s LYS 47 CO -0.00 0.56 -0.14 0.21 -0.36 0.00 0.00 175.35 175.62 2jwx s LYS 48 N -0.57 1.88 -0.55 4.03 2.20 0.68 -2.28 119.74 125.14 2jwx s LYS 48 Ca 0.08 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 2jwx s LYS 48 Cb -0.11 -1.54 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 2jwx s LYS 48 CO 0.01 0.03 1.40 0.95 -0.36 0.00 0.00 175.35 177.39 2jwx s THR 49 N 0.67 3.81 -0.10 3.43 -4.23 -1.26 -1.13 115.64 116.84 2jwx s THR 49 Ca -0.14 0.71 -0.27 0.00 -1.18 0.00 0.00 61.69 60.81 2jwx s THR 49 Cb -0.16 -4.43 -0.25 0.00 1.34 0.00 0.00 72.50 69.00 2jwx s THR 49 CO 0.04 -1.13 0.89 -0.07 -0.54 0.00 0.00 174.62 173.81 2jwx h LEU 50 N 12.95 0.09 -7.63 4.79 3.38 -1.84 -3.38 115.31 123.68 2jwx h LEU 50 Ca -0.27 -0.89 -0.41 0.00 0.09 0.00 0.00 57.88 56.40 2jwx h LEU 50 Cb 1.09 -0.03 -0.35 0.00 0.09 0.00 0.00 40.66 41.46 2jwx h LEU 50 CO 1.17 0.98 -0.77 -0.69 0.09 0.00 0.00 178.44 179.22 2jwx s VAL 51 N -2.66 0.43 0.03 1.22 1.01 -0.70 -5.03 120.40 114.70 2jwx s VAL 51 Ca -0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2jwx s VAL 51 Cb -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2jwx s VAL 51 CO 0.71 0.23 0.18 -2.16 0.00 0.00 0.00 175.10 174.06 2jwx s PRO 52 N 1.30 3.37 0.82 2.72 0.04 -1.26 0.31 135.00 142.31 2jwx s PRO 52 Ca -0.05 -0.42 -0.12 0.00 0.04 0.00 0.00 61.00 60.45 2jwx s PRO 52 Cb -0.13 -3.03 0.09 0.00 0.04 0.00 0.00 34.50 31.47 2jwx s PRO 52 CO -0.02 0.63 1.16 0.20 0.04 0.00 0.00 177.00 179.02 2jwx s GLY 53 N -2.23 1.97 -0.16 0.56 0.00 -1.26 -4.60 107.32 101.59 2jwx s GLY 53 Ca 0.31 0.67 -0.34 0.00 0.00 0.00 0.00 44.72 45.36 2jwx s GLY 53 CO 0.23 1.07 1.99 -1.55 0.00 0.00 0.00 173.10 174.84 2jwx n PRO 54 N -3.49 1.94 -0.74 2.90 -0.04 -1.26 -4.55 135.00 129.75 2jwx n PRO 54 Ca 0.12 0.67 -0.16 0.00 -0.04 0.00 0.00 63.50 64.09 2jwx n PRO 54 Cb 0.51 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.19 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2jwx n PRO 55 N 7.24 0.00 0.00 0.54 -0.02 -1.26 -1.42 135.00 140.08 2jwx n PRO 55 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2jwx n PRO 55 Cb 0.30 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 56 N 2.99 2.31 6.08 -1.23 0.00 -1.26 -4.68 105.19 109.40 2jwx n GLY 56 Ca 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2jwx n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jwx n SER 57 N 0.00 0.00 -3.70 1.61 2.88 -0.51 -3.45 113.62 110.46 2jwx n SER 57 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jwx n SER 57 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2jwx n SER 57 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jwx s SER 58 N -4.00 -0.55 -0.61 -3.46 0.15 -1.26 -2.85 113.70 101.11 2jwx s SER 58 Ca 0.00 0.99 -0.04 0.00 0.70 0.00 0.00 55.95 57.60 2jwx s SER 58 Cb 0.00 0.93 0.16 0.00 -1.71 0.00 0.00 66.02 65.40 2jwx s SER 58 CO 0.00 -0.19 0.43 -0.13 1.20 0.00 0.00 173.24 174.56 2jwx s ARG 59 N 0.92 2.57 0.28 5.44 1.81 -1.25 -1.50 118.95 127.21 2jwx s ARG 59 Ca -0.05 -2.42 -0.30 0.00 -1.72 0.00 0.00 55.73 51.24 2jwx s ARG 59 Cb -0.06 -3.77 -0.11 0.00 -0.45 0.00 0.00 34.95 30.57 2jwx s ARG 59 CO -0.08 -1.17 1.51 -1.25 -0.68 0.00 0.00 175.30 173.63 2jwx s PRO 60 N 0.14 4.19 0.15 3.54 0.04 -1.26 -4.49 135.00 137.31 2jwx s PRO 60 Ca 0.16 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 2jwx s PRO 60 Cb -0.20 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 2jwx s PRO 60 CO -0.04 -0.51 0.57 0.14 0.04 0.00 0.00 177.00 177.20 2jwx s VAL 61 N -0.14 4.82 -0.78 -0.36 -7.23 -1.26 -4.30 120.40 111.15 2jwx s VAL 61 Ca 0.60 0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 61.40 2jwx s VAL 61 Cb -0.45 -3.76 -0.16 0.00 0.56 0.00 0.00 36.38 32.57 2jwx s VAL 61 CO 0.47 0.27 2.55 0.29 -0.31 0.00 0.00 175.10 178.37 2jwx n LYS 62 N 0.87 0.45 0.00 4.82 4.01 -1.26 -0.47 118.16 126.58 2jwx n LYS 62 Ca -0.05 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 2jwx n LYS 62 Cb 0.52 -2.37 0.00 0.00 -0.51 0.00 0.00 35.03 32.67 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jwx n GLY 63 N 6.27 0.63 3.77 0.72 0.00 0.77 -4.82 105.19 112.52 2jwx n GLY 63 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 2jwx n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 64 N 0.00 4.30 -0.10 1.61 -1.52 0.38 -2.27 119.66 122.07 2jwx s GLN 64 Ca 0.00 0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 53.84 2jwx s GLN 64 Cb 0.00 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 2jwx s GLN 64 CO 0.00 0.38 1.45 0.14 -0.25 0.00 0.00 175.29 177.01 2jwx s VAL 65 N -0.23 3.91 -0.12 1.09 -7.23 0.21 -2.32 120.40 115.71 2jwx s VAL 65 Ca 0.31 1.12 0.01 0.00 -1.81 0.00 0.00 61.98 61.61 2jwx s VAL 65 Cb -0.18 -3.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2jwx s VAL 65 CO 0.17 -0.09 -0.17 0.68 -0.31 0.00 0.00 175.10 175.38 2jwx s VAL 66 N 3.62 2.66 -0.43 1.32 -7.23 -1.07 -1.06 120.40 118.22 2jwx s VAL 66 Ca 0.64 -0.80 -0.23 0.00 -1.81 0.00 0.00 61.98 59.78 2jwx s VAL 66 Cb -0.28 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2jwx s VAL 66 CO 0.23 0.54 0.78 0.42 -0.31 0.00 0.00 175.10 176.75 2jwx s THR 67 N 0.41 4.68 -0.16 5.32 -4.23 -0.72 -2.45 115.64 118.49 2jwx s THR 67 Ca -0.13 0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2jwx s THR 67 Cb -0.17 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.39 2jwx s THR 67 CO 0.06 -0.63 -0.17 0.68 -0.54 0.00 0.00 174.62 174.02 2jwx s VAL 68 N 3.23 2.46 -0.49 2.29 -7.23 0.89 -2.01 120.40 119.54 2jwx s VAL 68 Ca 0.30 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 59.38 2jwx s VAL 68 Cb -0.12 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2jwx s VAL 68 CO 0.21 0.52 0.99 -2.28 -0.31 0.00 0.00 175.10 174.23 2jwx s HIS 69 N 0.96 2.86 -0.11 2.82 2.46 0.49 0.46 115.29 125.23 2jwx s HIS 69 Ca -0.03 0.40 0.04 0.00 0.47 0.00 0.00 55.06 55.94 2jwx s HIS 69 Cb -0.15 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 2jwx s HIS 69 CO -0.03 -1.21 -0.23 -0.48 -2.47 0.00 0.00 174.74 170.32 2jwx s LEU 70 N 4.03 2.07 -0.27 8.88 -0.00 -0.81 0.05 118.68 132.63 2jwx s LEU 70 Ca 0.39 -0.55 0.01 0.00 -0.00 0.00 0.00 54.13 53.98 2jwx s LEU 70 Cb -0.10 -1.39 0.05 0.00 -0.00 0.00 0.00 46.19 44.76 2jwx s LEU 70 CO 0.27 0.14 -0.07 -1.10 -0.00 0.00 0.00 176.35 175.58 2jwx s GLN 71 N 0.44 2.35 -0.12 1.48 1.11 -0.83 -0.17 119.66 123.92 2jwx s GLN 71 Ca -0.17 -1.29 -0.19 0.00 0.01 0.00 0.00 55.36 53.72 2jwx s GLN 71 Cb -0.17 -2.98 -0.04 0.00 -1.01 0.00 0.00 33.01 28.80 2jwx s GLN 71 CO 0.07 -0.57 0.51 0.99 0.01 0.00 0.00 175.29 176.30 2jwx s THR 72 N 1.17 5.16 0.08 -0.19 2.01 -0.22 -2.62 115.64 121.02 2jwx s THR 72 Ca -0.07 1.02 0.04 0.00 0.31 0.00 0.00 61.69 62.99 2jwx s THR 72 Cb -0.20 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2jwx s THR 72 CO -0.04 0.30 0.01 -0.44 -0.69 0.00 0.00 174.62 173.76 2jwx s SER 73 N 0.71 5.09 0.92 3.53 0.01 0.10 0.19 113.70 124.26 2jwx s SER 73 Ca 0.27 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 2jwx s SER 73 Cb -0.15 -1.24 0.14 0.00 0.21 0.00 0.00 66.02 64.97 2jwx s SER 73 CO 0.11 0.19 1.09 -0.22 0.41 0.00 0.00 173.24 174.82 2jwx s LEU 74 N -2.23 2.12 0.53 2.44 2.96 0.19 -0.16 118.68 124.53 2jwx s LEU 74 Ca 0.25 1.43 0.26 0.00 -0.22 0.00 0.00 54.13 55.86 2jwx s LEU 74 Cb -0.12 -3.80 1.41 0.00 0.50 0.00 0.00 46.19 44.18 2jwx s LEU 74 CO 0.18 -2.76 1.99 1.05 -1.32 0.00 0.00 176.35 175.49 2jwx h GLU 75 N -1.63 0.00 0.00 1.98 4.11 -1.49 0.63 114.58 118.18 2jwx h GLU 75 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2jwx h GLU 75 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jwx h GLU 75 CO 0.55 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.72 2jwx n ASN 76 N -4.35 0.00 0.00 3.06 3.02 -1.26 -4.85 115.26 110.88 2jwx n ASN 76 Ca 0.10 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 2jwx n ASN 76 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwx n GLY 77 N 0.58 1.54 3.59 7.41 0.00 0.22 -4.98 105.19 113.56 2jwx n GLY 77 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2jwx n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwx s THR 78 N -3.43 3.98 -0.29 2.61 2.01 -1.25 -4.54 115.64 114.74 2jwx s THR 78 Ca 0.00 0.97 -0.34 0.00 0.31 0.00 0.00 61.69 62.62 2jwx s THR 78 Cb 0.00 -4.41 -0.11 0.00 0.01 0.00 0.00 72.50 67.99 2jwx s THR 78 CO 0.00 -0.96 2.12 0.54 -0.69 0.00 0.00 174.62 175.63 2jwx n ARG 79 N 8.14 1.37 0.00 4.92 5.12 -1.26 0.53 116.66 135.49 2jwx n ARG 79 Ca 0.14 0.41 0.09 0.00 -1.93 0.00 0.00 57.85 56.56 2jwx n ARG 79 Cb 0.49 -2.57 -0.11 0.00 -1.16 0.00 0.00 32.46 29.10 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2jwx n VAL 80 N 6.78 0.00 -3.48 1.55 0.24 0.13 -4.91 118.33 118.63 2jwx n VAL 80 Ca 0.36 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.48 2jwx n VAL 80 Cb 0.26 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 2jwx n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwx s GLN 81 N -2.84 1.08 -0.17 7.34 1.03 -1.08 -4.72 119.66 120.31 2jwx s GLN 81 Ca 0.08 -0.10 -0.04 0.00 0.04 0.00 0.00 55.36 55.34 2jwx s GLN 81 Cb 0.15 0.50 0.06 0.00 0.03 0.00 0.00 33.01 33.75 2jwx s GLN 81 CO 0.80 -0.41 0.07 -2.00 -2.54 0.00 0.00 175.29 171.20 2jwx s GLU 82 N -2.40 0.27 -0.47 9.60 2.12 -1.26 -1.06 118.70 125.49 2jwx s GLU 82 Ca -0.04 -0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 2jwx s GLU 82 Cb -0.01 -1.82 0.12 0.00 0.26 0.00 0.00 34.13 32.69 2jwx s GLU 82 CO -0.02 -0.63 0.35 -2.00 -0.54 0.00 0.00 175.26 172.42 2jwx s GLU 83 N 2.04 2.49 -1.19 4.30 2.56 0.75 -4.97 118.70 124.68 2jwx s GLU 83 Ca 0.01 -1.76 -0.22 0.00 0.00 0.00 0.00 54.97 53.00 2jwx s GLU 83 Cb -0.16 -3.94 -0.05 0.00 2.00 0.00 0.00 34.13 31.98 2jwx s GLU 83 CO -0.08 -1.20 1.88 -1.25 -0.56 0.00 0.00 175.26 174.05 2jwx s PRO 84 N 1.37 2.83 0.00 4.30 0.04 -1.26 -1.93 135.00 140.35 2jwx s PRO 84 Ca 0.06 -1.30 0.00 0.00 0.04 0.00 0.00 61.00 59.80 2jwx s PRO 84 Cb -0.26 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 28.98 2jwx s PRO 84 CO -0.01 -3.56 0.00 0.39 0.04 0.00 0.00 177.00 173.86 2jwx n GLU 85 N 8.35 0.00 -3.70 4.56 1.02 -1.25 -4.94 120.64 124.67 2jwx n GLU 85 Ca 0.45 0.18 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 2jwx n GLU 85 Cb 0.47 -0.36 -0.12 0.00 -0.02 0.00 0.00 31.44 31.41 2jwx n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jwx s LEU 86 N 0.00 4.24 -0.14 -4.62 2.96 0.17 -4.75 118.68 116.54 2jwx s LEU 86 Ca 0.00 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 2jwx s LEU 86 Cb 0.00 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2jwx s LEU 86 CO 0.00 -0.28 0.01 0.54 -1.32 0.00 0.00 176.35 175.30 2jwx s VAL 87 N 1.50 4.32 0.21 1.68 0.11 -1.21 -0.08 120.40 126.93 2jwx s VAL 87 Ca 0.01 -0.21 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 2jwx s VAL 87 Cb -0.18 -2.89 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2jwx s VAL 87 CO 0.04 0.52 0.46 0.72 -3.33 0.00 0.00 175.10 173.51 2jwx s PHE 88 N -0.02 0.17 -0.53 1.54 -0.71 -1.02 -4.93 117.98 112.48 2jwx s PHE 88 Ca 0.03 -0.53 -0.28 0.00 -1.04 0.00 0.00 56.93 55.11 2jwx s PHE 88 Cb -0.13 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 2jwx s PHE 88 CO 0.02 -0.92 1.54 0.99 -1.34 0.00 0.00 175.22 175.51 2jwx s THR 89 N -3.95 3.68 0.02 -4.49 2.01 -1.26 -2.60 115.64 109.05 2jwx s THR 89 Ca 0.16 0.59 -0.36 0.00 0.31 0.00 0.00 61.69 62.38 2jwx s THR 89 Cb -0.00 -4.23 -0.15 0.00 0.01 0.00 0.00 72.50 68.13 2jwx s THR 89 CO 0.03 -0.99 1.53 -0.11 -0.69 0.00 0.00 174.62 174.39 2jwx n LEU 90 N 10.13 2.31 0.00 4.42 7.94 -0.98 -1.87 117.00 138.95 2jwx n LEU 90 Ca 0.15 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 2jwx n LEU 90 Cb 0.49 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2jwx n LEU 90 CO 0.71 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 2jwx n GLY 91 N 3.24 1.60 1.15 -3.96 0.00 -1.02 -0.16 105.19 106.04 2jwx n GLY 91 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2jwx n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jwx n ASP 92 N 0.00 3.25 -3.71 1.61 2.03 -0.78 -4.83 116.55 114.11 2jwx n ASP 92 Ca 0.00 -2.41 -0.27 0.00 0.52 0.00 0.00 54.79 52.63 2jwx n ASP 92 Cb 0.00 -0.55 0.05 0.00 -0.72 0.00 0.00 41.12 39.90 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx h ASP 94 N -2.28 0.00 0.00 0.00 1.82 -1.88 -3.45 116.42 110.63 2jwx h ASP 94 Ca -0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 2jwx h ASP 94 Cb 1.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2jwx h ASP 94 CO 0.62 0.00 0.00 1.33 -1.61 0.00 0.00 179.24 179.58 2jwx n VAL 95 N -2.60 0.00 -2.60 2.25 0.24 -1.26 -4.90 118.33 109.46 2jwx n VAL 95 Ca 0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 2jwx n VAL 95 Cb 0.38 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 2jwx n VAL 95 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2jwx s ILE 96 N 1.70 3.85 0.49 1.34 -4.36 -1.26 -4.91 121.20 118.05 2jwx s ILE 96 Ca 0.00 1.78 0.26 0.00 -0.26 0.00 0.00 60.65 62.43 2jwx s ILE 96 Cb 0.00 -4.13 0.44 0.00 1.25 0.00 0.00 42.46 40.02 2jwx s ILE 96 CO 0.00 0.39 1.88 -0.61 0.24 0.00 0.00 174.94 176.84 2jwx h GLN 97 N 4.34 0.14 -0.46 0.37 5.75 -1.30 0.38 115.11 124.35 2jwx h GLN 97 Ca -0.45 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.13 2jwx h GLN 97 Cb 1.21 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.64 2jwx h GLN 97 CO 0.69 0.10 -0.08 0.00 -2.65 0.00 0.00 178.83 176.88 2jwx h ALA 98 N 1.59 0.34 0.00 3.38 0.00 -0.70 -2.69 119.26 121.17 2jwx h ALA 98 Ca 0.44 0.17 -0.20 0.00 0.00 0.00 0.00 54.91 55.32 2jwx h ALA 98 Cb 1.49 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2jwx h ALA 98 CO -0.07 -0.43 -0.96 1.25 0.00 0.00 0.00 179.25 179.03 2jwx h LEU 99 N 0.03 0.00 -0.86 0.00 5.85 -0.52 -1.99 115.31 117.82 2jwx h LEU 99 Ca 0.22 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 2jwx h LEU 99 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jwx h LEU 99 CO -0.45 0.91 -0.37 0.44 -0.34 0.00 0.00 178.44 178.64 2jwx h ASP 100 N 0.00 0.42 0.44 1.25 3.32 -1.13 -2.74 116.42 117.97 2jwx h ASP 100 Ca -0.02 -0.17 -0.30 0.00 0.02 0.00 0.00 57.03 56.55 2jwx h ASP 100 Cb 1.72 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 41.11 2jwx h ASP 100 CO 0.12 0.75 -1.74 -0.07 -1.72 0.00 0.00 179.24 176.58 2jwx h LEU 101 N 0.34 0.08 -0.22 1.55 3.38 -1.52 -2.70 115.31 116.22 2jwx h LEU 101 Ca 0.04 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 2jwx h LEU 101 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2jwx h LEU 101 CO 0.06 1.16 -0.44 0.77 0.09 0.00 0.00 178.44 180.09 2jwx h SER 102 N 0.01 0.77 0.01 -0.43 4.64 -1.12 -2.85 113.55 114.59 2jwx h SER 102 Ca -0.30 -0.54 0.03 0.00 -0.47 0.00 0.00 61.79 60.50 2jwx h SER 102 Cb 2.01 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 2jwx h SER 102 CO 0.08 1.17 -0.25 0.58 -0.87 0.00 0.00 176.83 177.55 2jwx h VAL 103 N 0.40 0.43 0.00 0.95 2.07 -1.73 -0.37 116.25 118.01 2jwx h VAL 103 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jwx h VAL 103 Cb 1.04 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jwx h VAL 103 CO 0.10 0.00 -0.02 -0.65 0.02 0.00 0.00 177.57 177.02 2jwx h PRO 104 N -0.39 0.00 -0.00 1.57 0.11 -1.74 0.35 132.00 131.89 2jwx h PRO 104 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2jwx h PRO 104 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2jwx h PRO 104 CO -0.21 0.02 -0.17 1.28 -0.21 0.00 0.00 178.00 178.71 2jwx n LEU 105 N -3.41 0.25 -4.83 2.35 4.77 -0.44 -4.68 117.00 111.01 2jwx n LEU 105 Ca -0.02 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 2jwx n LEU 105 Cb 0.13 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2jwx n LEU 105 CO 0.25 0.06 -0.11 0.00 -1.33 0.00 0.00 177.39 176.25 2jwx s MET 106 N -2.87 2.66 0.16 3.23 0.23 0.12 -4.65 119.30 118.18 2jwx s MET 106 Ca 0.17 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.53 2jwx s MET 106 Cb 0.19 -2.42 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 2jwx s MET 106 CO 0.57 0.11 0.21 -0.51 -2.03 0.00 0.00 175.02 173.36 2jwx s ASP 107 N -3.96 5.89 0.22 -1.18 1.11 -1.26 -4.63 116.67 112.87 2jwx s ASP 107 Ca 0.40 -0.00 -0.32 0.00 0.18 0.00 0.00 52.55 52.81 2jwx s ASP 107 Cb -0.05 -1.65 -0.12 0.00 1.07 0.00 0.00 42.92 42.16 2jwx s ASP 107 CO 0.26 0.05 1.63 0.52 1.18 0.00 0.00 175.17 178.81 2jwx n VAL 108 N -0.49 0.35 -0.02 -1.27 0.31 -0.56 -1.48 118.33 115.16 2jwx n VAL 108 Ca -0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2jwx n VAL 108 Cb 0.55 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 2jwx n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jwx n GLY 109 N 3.22 0.46 3.88 2.92 0.00 -0.08 -4.09 105.19 111.50 2jwx n GLY 109 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2jwx n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwx s GLU 110 N -0.86 3.75 -0.20 1.61 2.12 -0.55 -4.18 118.70 120.40 2jwx s GLU 110 Ca 0.00 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.72 2jwx s GLU 110 Cb 0.00 -2.42 0.05 0.00 0.26 0.00 0.00 34.13 32.03 2jwx s GLU 110 CO 0.00 -0.02 -0.01 0.99 -0.54 0.00 0.00 175.26 175.68 2jwx s THR 111 N -2.36 0.93 -0.02 -1.70 2.01 0.15 -2.48 115.64 112.17 2jwx s THR 111 Ca 0.50 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.82 2jwx s THR 111 Cb -0.10 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2jwx s THR 111 CO 0.32 -0.09 -0.19 0.00 -0.69 0.00 0.00 174.62 173.96 2jwx s ALA 112 N 1.68 1.63 -0.23 7.40 0.00 -0.77 -1.73 121.76 129.74 2jwx s ALA 112 Ca -0.02 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2jwx s ALA 112 Cb -0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2jwx s ALA 112 CO -0.07 0.38 0.39 1.41 0.00 0.00 0.00 175.76 177.87 2jwx s MET 113 N -0.39 4.11 -0.21 0.00 -2.45 -0.28 -0.79 119.30 119.29 2jwx s MET 113 Ca 0.06 0.13 0.02 0.00 -1.25 0.00 0.00 55.69 54.65 2jwx s MET 113 Cb -0.08 -3.58 0.04 0.00 1.25 0.00 0.00 34.83 32.45 2jwx s MET 113 CO -0.00 -0.13 -0.15 0.08 1.05 0.00 0.00 175.02 175.87 2jwx s VAL 114 N 1.61 2.01 -0.38 10.11 1.01 0.47 -0.23 120.40 135.01 2jwx s VAL 114 Ca 0.17 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 2jwx s VAL 114 Cb -0.15 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2jwx s VAL 114 CO 0.08 0.26 0.66 0.42 0.00 0.00 0.00 175.10 176.52 2jwx s THR 115 N 1.25 4.85 -0.03 3.92 -4.23 0.80 -0.06 115.64 122.12 2jwx s THR 115 Ca -0.01 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2jwx s THR 115 Cb -0.16 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.57 2jwx s THR 115 CO -0.09 -0.41 -0.04 0.00 -0.54 0.00 0.00 174.62 173.54 2jwx s ALA 116 N 2.80 0.54 0.87 3.99 0.00 -0.63 0.03 121.76 129.38 2jwx s ALA 116 Ca 0.25 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 2jwx s ALA 116 Cb -0.14 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.69 2jwx s ALA 116 CO 0.16 0.01 0.71 -3.47 0.00 0.00 0.00 175.76 173.17 2jwx n ASP 117 N 3.85 -0.89 0.26 0.00 -0.08 -0.80 -0.03 116.55 118.85 2jwx n ASP 117 Ca -0.24 0.45 0.08 0.00 -1.51 0.00 0.00 54.79 53.57 2jwx n ASP 117 Cb 0.52 -1.31 0.64 0.00 2.34 0.00 0.00 41.12 43.30 2jwx n ASP 117 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2jwx h SER 118 N -1.25 0.00 -0.00 1.67 0.02 -0.71 0.48 113.55 113.76 2jwx h SER 118 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2jwx h SER 118 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 2jwx h SER 118 CO 0.39 0.03 0.05 0.07 -1.14 0.00 0.00 176.83 176.23 2jwx h LYS 119 N 0.00 0.00 -0.01 3.45 2.10 -1.88 1.53 116.57 121.75 2jwx h LYS 119 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jwx h LYS 119 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2jwx h LYS 119 CO 0.00 0.00 -0.36 0.66 -2.00 0.00 0.00 179.45 177.75 2jwx n TYR 120 N -3.10 0.00 0.00 0.07 4.01 0.13 -4.79 117.16 113.48 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2jwx n TYR 120 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jwx n TYR 122 N -1.64 0.00 0.08 0.00 4.01 0.22 -4.59 117.16 115.25 2jwx n TYR 122 Ca 0.00 -0.19 -0.03 0.00 -0.16 0.00 0.00 57.90 57.52 2jwx n TYR 122 Cb 0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 2jwx n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jwx h GLY 123 N 0.37 -0.32 -0.63 2.72 0.00 0.16 0.15 103.07 105.53 2jwx h GLY 123 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jwx h GLY 123 CO 0.03 -0.11 0.00 -1.55 0.00 0.00 0.00 176.54 174.91 2jwx n PRO 124 N -2.60 1.50 -0.01 4.80 -0.04 -1.26 -4.41 135.00 132.97 2jwx n PRO 124 Ca -0.03 -0.77 -0.05 0.00 -0.04 0.00 0.00 63.50 62.62 2jwx n PRO 124 Cb 0.08 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2jwx n PRO 124 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jwx n GLN 125 N 0.06 0.12 0.00 0.54 6.02 -1.17 -5.14 117.38 117.81 2jwx n GLN 125 Ca 0.11 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2jwx n GLN 125 Cb 0.21 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.76 2jwx n GLN 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jwx n GLY 126 N 2.77 -2.69 3.95 1.08 0.00 0.03 -5.00 105.19 105.34 2jwx n GLY 126 Ca -0.09 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 2jwx n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwx s SER 127 N -2.23 5.73 0.39 1.61 0.15 -1.16 -4.83 113.70 113.37 2jwx s SER 127 Ca 0.00 0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.04 2jwx s SER 127 Cb 0.00 -1.45 0.89 0.00 -1.71 0.00 0.00 66.02 63.75 2jwx s SER 127 CO 0.00 -0.80 1.94 0.08 1.20 0.00 0.00 173.24 175.66 2jwx h ARG 128 N 0.29 0.57 0.00 5.44 0.11 -1.98 -3.35 114.38 115.46 2jwx h ARG 128 Ca -0.45 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 2jwx h ARG 128 Cb 1.26 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 2jwx h ARG 128 CO 0.57 0.37 -0.62 0.45 0.10 0.00 0.00 179.97 180.84 2jwx n SER 129 N -4.49 0.64 -4.43 0.08 2.88 -1.26 -4.98 113.62 102.06 2jwx n SER 129 Ca 0.12 0.09 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2jwx n SER 129 Cb 0.36 -0.21 -0.11 0.00 -0.75 0.00 0.00 64.21 63.50 2jwx n SER 129 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jwx s PRO 130 N -2.05 3.06 -0.25 -1.46 0.05 -1.26 -5.02 135.00 128.07 2jwx s PRO 130 Ca -0.03 -0.93 -0.28 0.00 0.05 0.00 0.00 61.00 59.82 2jwx s PRO 130 Cb 0.01 -3.75 -0.05 0.00 0.05 0.00 0.00 34.50 30.76 2jwx s PRO 130 CO 0.03 -0.61 2.23 -0.47 0.05 0.00 0.00 177.00 178.24 2jwx s TYR 131 N 1.61 1.17 -0.23 0.56 5.04 -1.26 -2.96 117.35 121.29 2jwx s TYR 131 Ca 0.04 0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 55.04 2jwx s TYR 131 Cb -0.18 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.24 2jwx s TYR 131 CO 0.08 -3.87 1.14 0.42 -1.34 0.00 0.00 175.55 171.97 2jwx s ILE 132 N 8.76 4.48 -0.40 3.14 -1.09 -1.26 -4.83 121.20 129.99 2jwx s ILE 132 Ca 1.00 1.77 -0.36 0.00 -2.23 0.00 0.00 60.65 60.83 2jwx s ILE 132 Cb -0.31 -4.21 -0.15 0.00 -1.58 0.00 0.00 42.46 36.21 2jwx s ILE 132 CO 0.34 -0.23 1.66 -2.65 -1.23 0.00 0.00 174.94 172.83 2jwx n PRO 133 N 6.58 0.00 -1.76 2.79 -0.01 -1.26 -4.42 135.00 136.92 2jwx n PRO 133 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.21 2jwx n PRO 133 Cb 0.46 -1.21 0.00 0.00 -0.01 0.00 0.00 33.50 32.74 2jwx n PRO 133 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2jwx n PRO 134 N 5.64 2.47 -1.00 0.52 -0.02 -1.26 -0.73 135.00 140.61 2jwx n PRO 134 Ca 0.42 0.87 -0.00 0.00 -2.02 0.00 0.00 63.50 62.76 2jwx n PRO 134 Cb -0.03 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 30.86 2jwx n PRO 134 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jwx n HIS 135 N 0.27 0.00 -2.24 6.00 8.25 -1.26 -4.93 115.22 121.31 2jwx n HIS 135 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 2jwx n HIS 135 Cb 0.39 -0.63 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jwx s ALA 136 N -1.71 3.55 -0.44 -1.41 0.00 0.09 -4.42 121.76 117.42 2jwx s ALA 136 Ca 0.00 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 2jwx s ALA 136 Cb 0.00 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2jwx s ALA 136 CO 0.00 -0.69 1.08 0.00 0.00 0.00 0.00 175.76 176.15 2jwx s ALA 137 N 1.57 3.25 0.78 0.00 0.00 -1.26 -0.09 121.76 126.01 2jwx s ALA 137 Ca 0.63 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 2jwx s ALA 137 Cb -0.33 -3.79 0.06 0.00 0.00 0.00 0.00 23.12 19.06 2jwx s ALA 137 CO 0.29 -2.03 1.10 -0.51 0.00 0.00 0.00 175.76 174.61 2jwx s LEU 138 N 4.12 2.66 -0.29 0.00 1.43 0.95 -1.27 118.68 126.28 2jwx s LEU 138 Ca 0.45 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 2jwx s LEU 138 Cb -0.09 -3.88 0.10 0.00 0.03 0.00 0.00 46.19 42.35 2jwx s LEU 138 CO 0.27 -1.81 0.12 0.00 0.23 0.00 0.00 176.35 175.16 2jwx s LEU 140 N 2.04 3.05 -0.41 0.00 2.34 0.91 0.02 118.68 126.63 2jwx s LEU 140 Ca 0.09 -0.29 -0.20 0.00 0.06 0.00 0.00 54.13 53.78 2jwx s LEU 140 Cb -0.16 -1.77 0.02 0.00 -0.56 0.00 0.00 46.19 43.72 2jwx s LEU 140 CO -0.34 0.04 0.63 -0.70 -1.06 0.00 0.00 176.35 174.92 2jwx s GLU 141 N 1.11 3.41 0.02 1.48 2.12 -1.08 -0.40 118.70 125.38 2jwx s GLU 141 Ca 0.02 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2jwx s GLU 141 Cb -0.15 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 2jwx s GLU 141 CO 0.00 -0.91 0.06 0.14 -0.54 0.00 0.00 175.26 174.01 2jwx s VAL 142 N 2.76 4.50 -0.26 3.70 -7.23 0.03 -1.96 120.40 121.94 2jwx s VAL 142 Ca 0.23 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2jwx s VAL 142 Cb -0.14 -3.08 0.06 0.00 0.56 0.00 0.00 36.38 33.78 2jwx s VAL 142 CO 0.17 0.29 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.29 2jwx s THR 143 N -1.22 1.86 -0.25 5.32 2.01 0.11 -1.85 115.64 121.62 2jwx s THR 143 Ca 0.24 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 2jwx s THR 143 Cb -0.12 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.31 2jwx s THR 143 CO 0.15 -0.12 0.91 -0.22 -0.69 0.00 0.00 174.62 174.65 2jwx s LEU 144 N 1.23 4.08 -0.04 4.42 0.20 -1.03 -0.38 118.68 127.15 2jwx s LEU 144 Ca -0.06 1.13 0.06 0.00 0.69 0.00 0.00 54.13 55.96 2jwx s LEU 144 Cb -0.19 -3.32 -0.09 0.00 -0.43 0.00 0.00 46.19 42.15 2jwx s LEU 144 CO -0.06 -0.60 0.09 2.29 -0.29 0.00 0.00 176.35 177.78 2jwx n LYS 145 N 6.18 1.62 -3.68 1.98 0.00 -0.85 -0.90 118.16 122.50 2jwx n LYS 145 Ca 0.08 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 2jwx n LYS 145 Cb 0.47 -1.17 -0.09 0.00 -0.00 0.00 0.00 35.03 34.25 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jwx s THR 146 N -2.32 0.00 -0.13 0.58 2.01 -1.24 -4.88 115.64 109.66 2jwx s THR 146 Ca -0.03 -0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 2jwx s THR 146 Cb 0.03 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.85 2jwx s THR 146 CO 0.28 -0.02 0.29 0.00 -0.69 0.00 0.00 174.62 174.47 2jwx s ALA 147 N 0.03 -0.66 -0.08 7.40 0.00 -1.23 -1.76 121.76 125.46 2jwx s ALA 147 Ca -0.02 1.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 2jwx s ALA 147 Cb -0.04 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2jwx s ALA 147 CO 0.02 -0.52 0.24 0.14 0.00 0.00 0.00 175.76 175.64 2jwx s VAL 148 N 2.08 0.01 0.23 0.00 -7.23 -0.22 -4.90 120.40 110.38 2jwx s VAL 148 Ca -0.02 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.74 2jwx s VAL 148 Cb -0.11 -0.38 -0.10 0.00 0.56 0.00 0.00 36.38 36.34 2jwx s VAL 148 CO -0.09 -0.06 1.43 -0.62 -0.31 0.00 0.00 175.10 175.45 2jwx s ASP 149 N -0.14 6.69 0.00 4.85 2.15 -1.26 0.67 116.67 129.63 2jwx s ASP 149 Ca -0.03 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.57 2jwx s ASP 149 Cb -0.03 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2jwx s ASP 149 CO 0.01 -0.68 0.00 0.00 -0.17 0.00 0.00 175.17 174.33 2jwx n LEU 150 N 2.51 0.00 -4.77 -1.34 -0.00 -1.08 -4.84 117.00 107.49 2jwx n LEU 150 Ca 0.07 -0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.71 2jwx n LEU 150 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 2jwx n LEU 150 CO 0.60 0.13 0.84 -0.70 -0.00 0.00 0.00 177.39 178.26 2jwx s GLU 151 N 0.00 3.71 0.27 1.47 -6.30 -0.96 -4.80 118.70 112.10 2jwx s GLU 151 Ca 0.00 1.81 0.00 0.00 -2.50 0.00 0.00 54.97 54.28 2jwx s GLU 151 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 34.13 31.73 2jwx s GLU 151 CO 0.00 -0.60 0.00 0.72 0.02 0.00 0.00 175.26 175.40 2jwx n HIS 152 N -0.53 -2.86 -2.71 5.30 8.25 -1.26 -4.88 115.22 116.54 2jwx n HIS 152 Ca 0.07 1.43 -0.21 0.00 -0.26 0.00 0.00 57.72 58.76 2jwx n HIS 152 Cb 0.48 -2.60 0.01 0.00 1.12 0.00 0.00 29.99 29.00 2jwx n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jwx n HIS 153 N -3.59 -1.48 0.67 4.41 -0.00 -1.26 -4.82 115.22 109.15 2jwx n HIS 153 Ca 0.00 0.23 0.01 0.00 -0.00 0.00 0.00 57.72 57.96 2jwx n HIS 153 Cb 0.52 -3.94 0.07 0.00 -0.00 0.00 0.00 29.99 26.65 2jwx n HIS 153 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jwx n HIS 154 N -4.11 0.37 -3.63 1.57 8.25 -1.26 -4.99 115.22 111.43 2jwx n HIS 154 Ca -0.17 -0.13 0.04 0.00 -0.26 0.00 0.00 57.72 57.20 2jwx n HIS 154 Cb 0.64 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 2jwx n HIS 154 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jwx n HIS 155 N 0.11 -2.19 -3.67 4.41 8.25 -1.26 -4.90 115.22 115.98 2jwx n HIS 155 Ca 0.05 0.41 -0.11 0.00 -0.26 0.00 0.00 57.72 57.80 2jwx n HIS 155 Cb 0.42 -0.60 -0.12 0.00 1.12 0.00 0.00 29.99 30.82 2jwx n HIS 155 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jwx s HIS 156 N -0.58 -0.56 -0.85 4.41 2.46 -1.26 -5.21 115.29 113.69 2jwx s HIS 156 Ca 0.00 1.18 0.07 0.00 0.47 0.00 0.00 55.06 56.78 2jwx s HIS 156 Cb 0.00 0.12 0.05 0.00 -0.13 0.00 0.00 32.58 32.62 2jwx s HIS 156 CO 0.00 -0.39 0.71 -2.39 -2.47 0.00 0.00 174.74 170.21