#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 -0.06 3.49 3.03 0.00 -1.26 -4.93 105.19 105.46 2jwx n GLY 2 Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 2jwx n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jwx s GLN 3 N 0.00 1.04 0.13 1.61 -2.07 -1.26 -5.14 119.66 113.98 2jwx s GLN 3 Ca 0.00 0.16 -0.32 0.00 -1.82 0.00 0.00 55.36 53.38 2jwx s GLN 3 Cb 0.00 0.49 -0.12 0.00 -1.09 0.00 0.00 33.01 32.29 2jwx s GLN 3 CO 0.00 -0.33 1.78 -2.30 -1.32 0.00 0.00 175.29 173.11 2jwx n PRO 4 N 0.84 2.64 -2.13 9.60 -0.02 -1.26 -4.93 135.00 139.74 2jwx n PRO 4 Ca -0.19 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 2jwx n PRO 4 Cb 0.58 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 2jwx n PRO 4 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2jwx s PRO 5 N 2.25 4.24 0.00 0.52 0.02 -1.26 -4.89 135.00 135.87 2jwx s PRO 5 Ca 0.81 2.07 0.19 0.00 0.02 0.00 0.00 61.00 64.10 2jwx s PRO 5 Cb -0.54 -3.68 0.56 0.00 0.02 0.00 0.00 34.50 30.87 2jwx s PRO 5 CO 0.38 -0.68 1.46 0.00 -0.33 0.00 0.00 177.00 177.83 2jwx n ALA 6 N 5.86 2.32 -2.44 -1.55 0.00 -1.26 -4.95 120.51 118.50 2jwx n ALA 6 Ca 0.15 -1.26 -0.25 0.00 0.00 0.00 0.00 53.44 52.07 2jwx n ALA 6 Cb 0.43 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2jwx n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jwx s GLU 7 N -1.00 1.46 0.34 0.00 2.02 -1.26 -5.03 118.70 115.23 2jwx s GLU 7 Ca 0.42 -1.51 0.27 0.00 0.02 0.00 0.00 54.97 54.17 2jwx s GLU 7 Cb 0.22 -1.69 1.00 0.00 0.10 0.00 0.00 34.13 33.75 2jwx s GLU 7 CO 0.29 0.36 1.79 1.05 0.02 0.00 0.00 175.26 178.76 2jwx h GLU 8 N 3.15 0.00 -1.92 1.61 9.09 -1.98 -3.46 114.58 121.06 2jwx h GLU 8 Ca -0.45 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.72 2jwx h GLU 8 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2jwx h GLU 8 CO 0.50 0.00 -0.32 0.00 0.05 0.00 0.00 179.01 179.23 2jwx n ALA 9 N -1.89 -0.40 -1.00 1.06 0.00 -1.26 -4.98 120.51 112.05 2jwx n ALA 9 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jwx n ALA 9 Cb 0.31 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2jwx n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jwx n GLU 10 N -2.26 0.00 -0.01 0.00 4.07 -1.26 -1.30 120.64 119.88 2jwx n GLU 10 Ca -0.14 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.75 2jwx n GLU 10 Cb 0.61 -0.22 -0.14 0.00 -0.06 0.00 0.00 31.44 31.63 2jwx n GLU 10 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2jwx h GLN 11 N 0.00 0.22 -0.10 5.31 4.20 -1.82 -1.42 115.11 121.49 2jwx h GLN 11 Ca 0.00 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2jwx h GLN 11 Cb 0.00 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2jwx h GLN 11 CO 0.00 1.18 0.00 -0.35 -0.67 0.00 0.00 178.83 178.99 2jwx n PRO 12 N -3.82 0.91 0.05 1.46 -0.04 -1.26 -4.27 135.00 128.03 2jwx n PRO 12 Ca -0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2jwx n PRO 12 Cb 0.93 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwx n GLY 13 N 0.37 -0.10 3.76 0.55 0.00 -1.25 -4.88 105.19 103.64 2jwx n GLY 13 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.41 0.23 4.61 0.00 -0.42 -4.93 121.76 122.67 2jwx s ALA 14 Ca 0.00 0.91 0.23 0.00 0.00 0.00 0.00 51.96 53.10 2jwx s ALA 14 Cb 0.00 -3.34 1.00 0.00 0.00 0.00 0.00 23.12 20.78 2jwx s ALA 14 CO 0.00 -0.20 1.87 1.25 0.00 0.00 0.00 175.76 178.68 2jwx h LEU 15 N 3.99 0.00 0.00 0.00 5.85 -1.87 -1.98 115.31 121.30 2jwx h LEU 15 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2jwx h LEU 15 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jwx h LEU 15 CO 0.68 0.24 -0.04 0.00 -0.34 0.00 0.00 178.44 178.98 2jwx n ALA 16 N -2.27 2.38 -0.77 1.25 0.00 -1.26 -4.94 120.51 114.90 2jwx n ALA 16 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jwx n ALA 16 Cb 0.39 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2jwx n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jwx n ARG 17 N -1.82 0.00 -1.35 0.00 5.12 -0.74 -4.70 116.66 113.17 2jwx n ARG 17 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2jwx n ARG 17 Cb 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 2jwx n ARG 17 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2jwx n GLU 18 N 0.00 0.00 -2.13 5.56 -0.58 -1.26 -3.83 120.64 118.40 2jwx n GLU 18 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jwx n GLU 18 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2jwx n PHE 19 N 0.00 -0.85 -1.41 -0.32 -1.74 -0.44 -4.86 117.46 107.84 2jwx n PHE 19 Ca 0.00 0.50 -0.31 0.00 -0.56 0.00 0.00 57.45 57.08 2jwx n PHE 19 Cb 0.00 -1.50 0.07 0.00 1.52 0.00 0.00 39.48 39.57 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2jwx s LEU 20 N -0.11 3.10 0.00 5.98 1.43 -0.96 -4.67 118.68 123.45 2jwx s LEU 20 Ca -0.00 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2jwx s LEU 20 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2jwx s LEU 20 CO 0.01 -1.80 0.00 0.00 0.23 0.00 0.00 176.35 174.78 2jwx n ALA 21 N -3.28 0.00 -0.95 4.21 0.00 -1.26 -4.58 120.51 114.65 2jwx n ALA 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jwx n ALA 21 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx n ALA 22 N 10.12 0.00 0.02 0.00 0.00 -1.26 -4.82 120.51 124.57 2jwx n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jwx n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jwx n ALA 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jwx n MET 23 N 0.00 0.00 0.01 0.00 1.56 -1.26 -5.10 117.12 112.32 2jwx n MET 23 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2jwx n MET 23 Cb 0.00 -0.20 0.00 0.00 2.15 0.00 0.00 33.22 35.17 2jwx n MET 23 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2jwx n GLU 24 N -2.93 0.00 -1.64 2.12 4.07 -1.26 -5.01 120.64 115.99 2jwx n GLU 24 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 2jwx n GLU 24 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 2jwx n GLU 24 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2jwx n PRO 25 N -2.98 2.55 -2.43 5.31 -0.04 -1.26 -4.99 135.00 131.17 2jwx n PRO 25 Ca 0.00 -2.93 -0.34 0.00 -0.04 0.00 0.00 63.50 60.19 2jwx n PRO 25 Cb 0.00 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.26 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jwx s GLU 26 N -3.02 3.63 0.61 0.54 8.01 -1.26 -4.99 118.70 122.22 2jwx s GLU 26 Ca 0.55 1.44 -0.19 0.00 0.01 0.00 0.00 54.97 56.78 2jwx s GLU 26 Cb 0.41 -2.06 -0.03 0.00 -4.31 0.00 0.00 34.13 28.15 2jwx s GLU 26 CO -0.28 -0.59 1.27 -2.14 0.01 0.00 0.00 175.26 173.53 2jwx s PRO 27 N -3.28 2.80 0.39 0.39 0.02 -1.26 -4.97 135.00 129.09 2jwx s PRO 27 Ca 0.69 2.00 -0.26 0.00 0.02 0.00 0.00 61.00 63.45 2jwx s PRO 27 Cb -0.19 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 2jwx s PRO 27 CO 0.23 -1.39 1.24 0.00 -0.33 0.00 0.00 177.00 176.75 2jwx s ALA 28 N -1.45 3.26 1.02 -1.55 0.00 -1.26 -5.00 121.76 116.78 2jwx s ALA 28 Ca 0.79 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 2jwx s ALA 28 Cb -0.35 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.47 2jwx s ALA 28 CO 0.38 -0.65 0.70 -0.35 0.00 0.00 0.00 175.76 175.84 2jwx n PRO 29 N 0.26 -1.02 -3.14 0.00 -0.04 -1.26 -5.00 135.00 124.80 2jwx n PRO 29 Ca 0.03 -0.26 -0.28 0.00 -0.04 0.00 0.00 63.50 62.95 2jwx n PRO 29 Cb 0.45 -2.06 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 2jwx n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx n ALA 30 N -4.24 4.50 -1.73 0.55 0.00 -1.26 -5.02 120.51 113.31 2jwx n ALA 30 Ca 0.07 -4.74 -0.27 0.00 0.00 0.00 0.00 53.44 48.49 2jwx n ALA 30 Cb 0.55 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 2jwx n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jwx s PRO 31 N -3.05 2.09 -0.09 0.00 0.04 -1.26 -4.79 135.00 127.94 2jwx s PRO 31 Ca 0.44 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2jwx s PRO 31 Cb 0.21 -4.71 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 2jwx s PRO 31 CO -0.07 -3.61 -0.08 0.00 0.04 0.00 0.00 177.00 173.28 2jwx s ALA 32 N 12.20 2.89 -0.97 8.56 0.00 -1.26 -5.02 121.76 138.17 2jwx s ALA 32 Ca 0.86 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 2jwx s ALA 32 Cb -0.13 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 2jwx s ALA 32 CO 0.14 0.46 2.16 -0.35 0.00 0.00 0.00 175.76 178.17 2jwx n PRO 33 N 2.67 2.16 -2.61 0.00 -0.04 -1.26 -4.32 135.00 131.60 2jwx n PRO 33 Ca -0.18 -1.61 -0.18 0.00 -0.04 0.00 0.00 63.50 61.49 2jwx n PRO 33 Cb 0.53 -2.58 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 2jwx n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jwx n GLU 34 N 4.63 -2.73 -0.13 0.54 1.02 -1.26 -4.88 120.64 117.83 2jwx n GLU 34 Ca 0.48 0.80 0.11 0.00 -0.02 0.00 0.00 57.16 58.53 2jwx n GLU 34 Cb 0.19 -5.31 0.30 0.00 -0.02 0.00 0.00 31.44 26.60 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jwx n GLU 35 N -3.07 2.06 -1.46 3.49 -0.58 -1.26 -5.05 120.64 114.76 2jwx n GLU 35 Ca -0.15 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.00 2jwx n GLU 35 Cb 0.63 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 0.82 -3.23 -4.25 -0.32 7.02 -1.26 -4.96 117.44 111.25 2jwx n TRP 36 Ca 0.17 1.75 -0.33 0.00 -1.02 0.00 0.00 57.50 58.06 2jwx n TRP 36 Cb 0.44 -2.70 -0.15 0.00 -2.42 0.00 0.00 31.31 26.48 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 -4.82 2.37 -0.46 -0.99 2.96 0.23 -4.88 118.68 113.09 2jwx s LEU 37 Ca 0.00 -0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 53.09 2jwx s LEU 37 Cb 0.00 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.17 2jwx s LEU 37 CO 0.00 0.03 1.06 -0.62 -1.32 0.00 0.00 176.35 175.50 2jwx s ASP 38 N 1.14 6.60 0.08 3.68 -1.08 -1.26 -0.46 116.67 125.38 2jwx s ASP 38 Ca 0.01 0.38 -0.19 0.00 -0.52 0.00 0.00 52.55 52.23 2jwx s ASP 38 Cb -0.14 -2.52 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 2jwx s ASP 38 CO -0.06 -1.17 1.54 0.40 0.52 0.00 0.00 175.17 176.40 2jwx h ILE 39 N 6.16 1.23 -0.01 4.11 2.04 -0.03 -3.12 117.51 127.88 2jwx h ILE 39 Ca -0.23 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2jwx h ILE 39 Cb 1.07 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2jwx h ILE 39 CO 1.09 0.24 -0.23 0.18 0.00 0.00 0.00 178.15 179.43 2jwx n LEU 40 N -4.71 1.47 -1.09 1.44 4.77 -1.26 -4.91 117.00 112.70 2jwx n LEU 40 Ca -0.04 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 55.02 2jwx n LEU 40 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2jwx n LEU 40 CO 0.37 0.29 -0.13 0.61 -1.33 0.00 0.00 177.39 177.19 2jwx n GLY 41 N 0.96 1.08 0.10 -0.72 0.00 -1.18 -4.86 105.19 100.57 2jwx n GLY 41 Ca 0.05 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.18 0.79 0.00 1.61 6.94 -1.26 -4.94 115.26 118.22 2jwx n ASN 42 Ca -0.14 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 2jwx n ASN 42 Cb 0.46 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.34 2jwx n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jwx n GLY 43 N 1.27 3.01 0.16 4.83 0.00 -1.26 -4.77 105.19 108.43 2jwx n GLY 43 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2jwx n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jwx h LEU 44 N 0.00 0.00 -7.72 0.99 -0.00 -1.92 -3.43 115.31 103.23 2jwx h LEU 44 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.22 2jwx h LEU 44 Cb 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 40.27 2jwx h LEU 44 CO 0.00 0.29 -0.75 -0.22 -0.00 0.00 0.00 178.44 177.76 2jwx s LEU 45 N -6.20 4.13 -0.02 1.67 1.98 -1.24 -1.88 118.68 117.12 2jwx s LEU 45 Ca 0.04 -1.85 0.02 0.00 -2.89 0.00 0.00 54.13 49.45 2jwx s LEU 45 Cb 0.07 -1.55 0.00 0.00 0.66 0.00 0.00 46.19 45.38 2jwx s LEU 45 CO 0.73 -0.31 -0.07 -0.13 -1.89 0.00 0.00 176.35 174.68 2jwx s ARG 46 N 1.02 0.76 -0.11 1.98 0.52 0.69 0.76 118.95 124.57 2jwx s ARG 46 Ca 0.04 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2jwx s ARG 46 Cb -0.19 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.52 2jwx s ARG 46 CO -0.08 0.09 -0.09 0.21 0.02 0.00 0.00 175.30 175.45 2jwx s LYS 47 N 0.18 3.23 -0.13 3.54 2.20 0.39 0.17 119.74 129.34 2jwx s LYS 47 Ca -0.02 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 2jwx s LYS 47 Cb -0.07 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2jwx s LYS 47 CO 0.00 0.37 -0.18 0.21 -0.36 0.00 0.00 175.35 175.40 2jwx s LYS 48 N -0.03 2.54 -0.70 4.03 2.20 0.44 -0.60 119.74 127.62 2jwx s LYS 48 Ca -0.01 -0.67 -0.27 0.00 -0.36 0.00 0.00 55.97 54.66 2jwx s LYS 48 Cb -0.14 -2.13 0.03 0.00 -1.51 0.00 0.00 37.83 34.08 2jwx s LYS 48 CO 0.03 -0.08 1.31 0.95 -0.36 0.00 0.00 175.35 177.21 2jwx s THR 49 N 1.01 3.74 -0.09 3.43 -4.23 -1.26 -1.00 115.64 117.24 2jwx s THR 49 Ca -0.05 0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 60.73 2jwx s THR 49 Cb -0.15 -4.81 -0.18 0.00 1.34 0.00 0.00 72.50 68.71 2jwx s THR 49 CO -0.04 -1.69 0.74 -0.07 -0.54 0.00 0.00 174.62 173.02 2jwx h LEU 50 N 13.09 -0.06 -8.14 4.79 3.38 -1.79 -3.43 115.31 123.14 2jwx h LEU 50 Ca -0.27 -0.56 -0.67 0.00 0.09 0.00 0.00 57.88 56.47 2jwx h LEU 50 Cb 1.06 0.02 -0.34 0.00 0.09 0.00 0.00 40.66 41.48 2jwx h LEU 50 CO 1.26 0.65 -0.86 -0.69 0.09 0.00 0.00 178.44 178.88 2jwx s VAL 51 N -2.75 2.02 -0.13 1.22 1.01 -0.74 -5.01 120.40 116.02 2jwx s VAL 51 Ca -0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 2jwx s VAL 51 Cb -0.01 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2jwx s VAL 51 CO 0.50 0.54 0.06 -2.16 0.00 0.00 0.00 175.10 174.04 2jwx s PRO 52 N 0.98 3.49 0.68 2.72 0.04 -1.26 -0.25 135.00 141.41 2jwx s PRO 52 Ca -0.03 -0.31 -0.17 0.00 0.04 0.00 0.00 61.00 60.53 2jwx s PRO 52 Cb -0.15 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2jwx s PRO 52 CO -0.06 0.55 1.28 0.20 0.04 0.00 0.00 177.00 179.02 2jwx s GLY 53 N -0.43 2.74 0.49 0.56 0.00 -1.26 -4.82 107.32 104.60 2jwx s GLY 53 Ca 0.10 1.16 -0.21 0.00 0.00 0.00 0.00 44.72 45.77 2jwx s GLY 53 CO 0.02 1.59 0.65 -1.05 0.00 0.00 0.00 173.10 174.31 2jwx n PRO 54 N -2.18 0.71 -1.54 2.90 -0.02 -1.26 -4.68 135.00 128.94 2jwx n PRO 54 Ca 0.16 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 2jwx n PRO 54 Cb 0.48 -1.73 -0.11 0.00 -0.02 0.00 0.00 33.50 32.12 2jwx n PRO 54 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jwx n PRO 55 N 0.13 0.45 0.00 0.52 -0.04 -1.26 -2.04 135.00 132.77 2jwx n PRO 55 Ca 0.11 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2jwx n PRO 55 Cb 0.43 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwx n GLY 56 N 6.28 2.17 5.66 0.55 0.00 -1.26 -4.86 105.19 113.73 2jwx n GLY 56 Ca 0.52 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jwx n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jwx n SER 57 N 0.00 0.00 -3.65 1.61 7.64 -0.87 -3.45 113.62 114.91 2jwx n SER 57 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2jwx n SER 57 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jwx s SER 58 N -4.00 -0.91 -0.75 6.43 0.01 -1.26 -1.33 113.70 111.89 2jwx s SER 58 Ca 0.00 1.43 -0.03 0.00 1.31 0.00 0.00 55.95 58.67 2jwx s SER 58 Cb 0.00 1.55 0.19 0.00 0.21 0.00 0.00 66.02 67.97 2jwx s SER 58 CO 0.00 -0.23 0.60 -0.13 0.41 0.00 0.00 173.24 173.89 2jwx s ARG 59 N 1.99 2.90 0.53 12.44 1.81 -1.22 -0.97 118.95 136.43 2jwx s ARG 59 Ca -0.08 -2.88 -0.21 0.00 -1.72 0.00 0.00 55.73 50.84 2jwx s ARG 59 Cb -0.08 -3.84 -0.05 0.00 -0.45 0.00 0.00 34.95 30.53 2jwx s ARG 59 CO -0.19 -1.22 1.26 -1.25 -0.68 0.00 0.00 175.30 173.22 2jwx s PRO 60 N -0.65 3.28 -0.00 3.54 0.04 -1.26 -4.89 135.00 135.04 2jwx s PRO 60 Ca 0.22 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 2jwx s PRO 60 Cb -0.14 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2jwx s PRO 60 CO -0.08 -1.00 0.07 0.14 0.04 0.00 0.00 177.00 176.17 2jwx s VAL 61 N -1.46 4.67 -0.70 -0.36 -7.23 -1.26 -4.37 120.40 109.69 2jwx s VAL 61 Ca 0.71 -0.43 -0.34 0.00 -1.81 0.00 0.00 61.98 60.11 2jwx s VAL 61 Cb -0.34 -3.13 -0.17 0.00 0.56 0.00 0.00 36.38 33.30 2jwx s VAL 61 CO 0.40 0.35 2.45 0.29 -0.31 0.00 0.00 175.10 178.28 2jwx n LYS 62 N 1.20 0.36 0.00 4.82 4.01 -1.26 -1.04 118.16 126.24 2jwx n LYS 62 Ca -0.13 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2jwx n LYS 62 Cb 0.53 -1.98 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 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 6.64 0.66 3.77 0.72 0.00 0.12 -4.70 105.19 112.40 2jwx n GLY 63 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 4.39 -0.09 1.61 -1.52 -0.21 -2.07 119.66 121.78 2jwx s GLN 64 Ca 0.00 0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 54.01 2jwx s GLN 64 Cb 0.00 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.44 2jwx s GLN 64 CO 0.00 0.41 1.27 0.14 -0.25 0.00 0.00 175.29 176.87 2jwx s VAL 65 N -0.43 4.15 -0.11 1.09 -7.23 0.11 -2.40 120.40 115.59 2jwx s VAL 65 Ca 0.34 1.46 0.04 0.00 -1.81 0.00 0.00 61.98 62.00 2jwx s VAL 65 Cb -0.20 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2jwx s VAL 65 CO 0.21 -0.05 -0.23 0.68 -0.31 0.00 0.00 175.10 175.39 2jwx s VAL 66 N 2.80 2.09 -0.43 1.32 -7.23 -1.06 -1.51 120.40 116.38 2jwx s VAL 66 Ca 0.57 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 2jwx s VAL 66 Cb -0.25 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2jwx s VAL 66 CO 0.20 0.56 0.75 0.42 -0.31 0.00 0.00 175.10 176.72 2jwx s THR 67 N 0.44 4.71 -0.14 5.32 -4.23 -0.61 -2.42 115.64 118.71 2jwx s THR 67 Ca -0.16 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2jwx s THR 67 Cb -0.17 -4.27 0.01 0.00 1.34 0.00 0.00 72.50 69.41 2jwx s THR 67 CO 0.07 -0.62 -0.21 0.68 -0.54 0.00 0.00 174.62 173.99 2jwx s VAL 68 N 3.15 2.14 -0.47 2.29 -7.23 0.92 -0.59 120.40 120.61 2jwx s VAL 68 Ca 0.29 -0.95 -0.25 0.00 -1.81 0.00 0.00 61.98 59.25 2jwx s VAL 68 Cb -0.13 -1.86 0.03 0.00 0.56 0.00 0.00 36.38 34.98 2jwx s VAL 68 CO 0.21 0.54 0.94 -2.28 -0.31 0.00 0.00 175.10 174.20 2jwx s HIS 69 N 0.82 2.90 -0.10 2.82 2.46 0.84 0.49 115.29 125.52 2jwx s HIS 69 Ca -0.07 0.35 0.03 0.00 0.47 0.00 0.00 55.06 55.84 2jwx s HIS 69 Cb -0.15 -4.00 -0.01 0.00 -0.13 0.00 0.00 32.58 28.29 2jwx s HIS 69 CO -0.02 -1.14 -0.21 -0.48 -2.47 0.00 0.00 174.74 170.42 2jwx s LEU 70 N 3.81 2.27 -0.25 8.88 -0.00 -0.57 0.03 118.68 132.84 2jwx s LEU 70 Ca 0.37 -0.48 0.02 0.00 -0.00 0.00 0.00 54.13 54.04 2jwx s LEU 70 Cb -0.10 -1.46 0.06 0.00 -0.00 0.00 0.00 46.19 44.69 2jwx s LEU 70 CO 0.26 0.18 -0.10 -1.10 -0.00 0.00 0.00 176.35 175.59 2jwx s GLN 71 N 0.24 2.12 -0.14 1.48 1.11 -0.88 0.35 119.66 123.94 2jwx s GLN 71 Ca -0.14 -1.26 -0.14 0.00 0.01 0.00 0.00 55.36 53.82 2jwx s GLN 71 Cb -0.17 -2.82 -0.05 0.00 -1.01 0.00 0.00 33.01 28.97 2jwx s GLN 71 CO 0.07 -0.57 0.32 0.99 0.01 0.00 0.00 175.29 176.11 2jwx s THR 72 N 1.17 5.28 0.04 -0.19 2.01 -0.45 -2.61 115.64 120.88 2jwx s THR 72 Ca -0.08 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.59 2jwx s THR 72 Cb -0.20 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2jwx s THR 72 CO -0.05 0.40 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.73 2jwx s SER 73 N 0.33 4.30 0.86 3.53 0.01 0.61 0.43 113.70 123.78 2jwx s SER 73 Ca 0.18 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 2jwx s SER 73 Cb -0.13 -0.87 0.11 0.00 0.21 0.00 0.00 66.02 65.34 2jwx s SER 73 CO 0.05 0.24 1.09 -0.22 0.41 0.00 0.00 173.24 174.82 2jwx s LEU 74 N -1.64 2.40 0.57 2.44 2.96 0.18 -0.13 118.68 125.46 2jwx s LEU 74 Ca 0.18 1.44 0.25 0.00 -0.22 0.00 0.00 54.13 55.78 2jwx s LEU 74 Cb -0.11 -3.94 1.58 0.00 0.50 0.00 0.00 46.19 44.22 2jwx s LEU 74 CO 0.09 -2.40 2.15 1.05 -1.32 0.00 0.00 176.35 175.92 2jwx h GLU 75 N -1.38 0.00 0.00 1.98 4.11 -1.71 0.50 114.58 118.08 2jwx h GLU 75 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2jwx h GLU 75 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2jwx h GLU 75 CO 0.56 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.73 2jwx n ASN 76 N -4.07 0.00 0.00 3.06 3.02 -1.26 -4.87 115.26 111.13 2jwx n ASN 76 Ca -0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 2jwx n ASN 76 Cb 0.21 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.81 0.71 3.56 7.41 0.00 0.18 -5.03 105.19 112.83 2jwx n GLY 77 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.58 4.38 -0.29 2.61 2.01 -1.25 -4.60 115.64 115.92 2jwx s THR 78 Ca 0.00 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 2jwx s THR 78 Cb 0.00 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 67.94 2jwx s THR 78 CO 0.00 -0.95 2.25 -1.14 -0.69 0.00 0.00 174.62 174.09 2jwx n ARG 79 N 7.42 1.61 0.02 4.92 3.00 -1.26 0.48 116.66 132.85 2jwx n ARG 79 Ca 0.07 0.41 0.11 0.00 -0.00 0.00 0.00 57.85 58.43 2jwx n ARG 79 Cb 0.48 -3.04 0.01 0.00 0.00 0.00 0.00 32.46 29.91 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jwx n VAL 80 N 7.65 0.11 -3.52 5.15 0.24 0.17 -4.92 118.33 123.21 2jwx n VAL 80 Ca 0.34 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.32 2jwx n VAL 80 Cb 0.40 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.16 1.13 -0.19 7.34 1.03 -1.15 -4.67 119.66 119.98 2jwx s GLN 81 Ca 0.04 -0.37 -0.03 0.00 0.04 0.00 0.00 55.36 55.04 2jwx s GLN 81 Cb 0.15 0.52 0.06 0.00 0.03 0.00 0.00 33.01 33.77 2jwx s GLN 81 CO 0.81 -0.45 0.05 -2.00 -2.54 0.00 0.00 175.29 171.17 2jwx s GLU 82 N -3.08 0.50 -0.52 9.60 2.12 -1.26 -1.34 118.70 124.73 2jwx s GLU 82 Ca -0.02 -0.36 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 2jwx s GLU 82 Cb -0.00 -2.02 0.13 0.00 0.26 0.00 0.00 34.13 32.50 2jwx s GLU 82 CO -0.07 -0.67 0.40 -2.00 -0.54 0.00 0.00 175.26 172.38 2jwx s GLU 83 N 1.92 2.60 -1.19 4.30 2.56 0.16 -4.98 118.70 124.07 2jwx s GLU 83 Ca 0.00 -1.88 -0.20 0.00 0.00 0.00 0.00 54.97 52.89 2jwx s GLU 83 Cb -0.17 -3.97 0.04 0.00 2.00 0.00 0.00 34.13 32.02 2jwx s GLU 83 CO -0.09 -1.21 1.71 -1.25 -0.56 0.00 0.00 175.26 173.85 2jwx s PRO 84 N 1.17 3.60 0.00 4.30 0.04 -1.26 -1.52 135.00 141.33 2jwx s PRO 84 Ca 0.07 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 59.54 2jwx s PRO 84 Cb -0.25 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 28.86 2jwx s PRO 84 CO -0.01 -2.55 0.00 0.39 0.04 0.00 0.00 177.00 174.86 2jwx n GLU 85 N 8.53 0.00 -3.86 4.56 1.02 -1.24 -4.93 120.64 124.71 2jwx n GLU 85 Ca 0.44 0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 57.44 2jwx n GLU 85 Cb 0.47 -0.44 -0.13 0.00 -0.02 0.00 0.00 31.44 31.32 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 3.88 -0.14 -4.62 2.96 0.18 -4.74 118.68 116.20 2jwx s LEU 86 Ca 0.00 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.75 2jwx s LEU 86 Cb 0.00 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2jwx s LEU 86 CO 0.00 -0.25 0.06 0.54 -1.32 0.00 0.00 176.35 175.38 2jwx s VAL 87 N 1.33 4.77 0.21 1.68 0.11 -1.21 -0.05 120.40 127.24 2jwx s VAL 87 Ca -0.03 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.84 2jwx s VAL 87 Cb -0.19 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2jwx s VAL 87 CO -0.00 0.53 0.43 0.72 -3.33 0.00 0.00 175.10 173.45 2jwx s PHE 88 N -0.25 0.28 -0.57 1.54 -0.71 -1.02 -4.93 117.98 112.33 2jwx s PHE 88 Ca 0.08 -0.64 -0.28 0.00 -1.04 0.00 0.00 56.93 55.05 2jwx s PHE 88 Cb -0.12 0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.87 2jwx s PHE 88 CO 0.02 -0.89 1.20 0.99 -1.34 0.00 0.00 175.22 175.19 2jwx s THR 89 N -3.97 4.03 0.35 -4.49 2.01 -1.26 -2.56 115.64 109.74 2jwx s THR 89 Ca 0.18 0.94 -0.28 0.00 0.31 0.00 0.00 61.69 62.84 2jwx s THR 89 Cb 0.01 -4.70 -0.12 0.00 0.01 0.00 0.00 72.50 67.69 2jwx s THR 89 CO 0.04 -1.29 1.32 -0.11 -0.69 0.00 0.00 174.62 173.89 2jwx n LEU 90 N 8.41 3.78 0.00 4.42 7.94 -1.01 -2.37 117.00 138.17 2jwx n LEU 90 Ca 0.09 1.21 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 2jwx n LEU 90 Cb 0.49 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.93 2jwx n LEU 90 CO 0.72 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 2jwx n GLY 91 N 0.72 0.40 0.97 -3.96 0.00 -1.22 0.10 105.19 102.20 2jwx n GLY 91 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.26 3.07 -4.11 1.61 2.03 -1.00 -4.93 116.55 112.96 2jwx n ASP 92 Ca 0.00 -1.94 -0.30 0.00 0.52 0.00 0.00 54.79 53.07 2jwx n ASP 92 Cb 0.13 -0.10 -0.04 0.00 -0.72 0.00 0.00 41.12 40.39 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 -1.70 0.00 -0.01 0.00 3.58 -1.93 -3.44 116.42 112.93 2jwx h ASP 94 Ca -0.62 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2jwx h ASP 94 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2jwx h ASP 94 CO 0.69 0.00 0.00 1.33 -2.88 0.00 0.00 179.24 178.38 2jwx n VAL 95 N -2.55 0.00 -2.85 2.25 0.24 -1.26 -4.96 118.33 109.20 2jwx n VAL 95 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 2jwx n VAL 95 Cb 0.24 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 1.68 4.24 0.52 1.34 -4.36 -1.26 -4.92 121.20 118.44 2jwx s ILE 96 Ca 0.00 1.82 0.24 0.00 -0.26 0.00 0.00 60.65 62.45 2jwx s ILE 96 Cb 0.00 -4.12 0.39 0.00 1.25 0.00 0.00 42.46 39.97 2jwx s ILE 96 CO 0.00 0.34 2.00 -0.61 0.24 0.00 0.00 174.94 176.91 2jwx h GLN 97 N 3.75 0.05 -0.43 0.37 5.75 -1.38 0.13 115.11 123.35 2jwx h GLN 97 Ca -0.46 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.20 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 2jwx h GLN 97 CO 0.66 0.03 -0.15 0.00 -2.65 0.00 0.00 178.83 176.72 2jwx h ALA 98 N 1.74 0.20 0.04 3.38 0.00 -0.44 -1.63 119.26 122.56 2jwx h ALA 98 Ca 0.25 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 2jwx h ALA 98 Cb 0.94 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jwx h ALA 98 CO -0.01 -0.50 -1.05 1.25 0.00 0.00 0.00 179.25 178.94 2jwx h LEU 99 N -0.06 0.20 -0.75 0.00 5.85 -1.05 -2.02 115.31 117.49 2jwx h LEU 99 Ca 0.21 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2jwx h LEU 99 Cb 0.38 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2jwx h LEU 99 CO -0.47 1.12 -0.56 -0.78 -0.34 0.00 0.00 178.44 177.40 2jwx h ASP 100 N 0.05 0.21 0.41 1.25 3.58 -0.89 -2.34 116.42 118.70 2jwx h ASP 100 Ca -0.06 -0.11 -0.31 0.00 0.42 0.00 0.00 57.03 56.97 2jwx h ASP 100 Cb 1.77 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.71 2jwx h ASP 100 CO 0.16 0.73 -1.79 0.18 -2.88 0.00 0.00 179.24 175.64 2jwx n LEU 101 N -3.89 1.08 -0.05 2.28 4.77 -0.65 -3.44 117.00 117.09 2jwx n LEU 101 Ca -0.02 0.36 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 2jwx n LEU 101 Cb 0.58 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 2jwx n LEU 101 CO 0.43 0.46 0.36 0.77 -1.33 0.00 0.00 177.39 178.08 2jwx h SER 102 N 0.01 0.94 0.02 -1.43 4.64 -0.97 -3.02 113.55 113.74 2jwx h SER 102 Ca -0.32 -0.58 0.03 0.00 -0.47 0.00 0.00 61.79 60.45 2jwx h SER 102 Cb 2.03 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.80 2jwx h SER 102 CO 0.08 1.36 -0.26 0.58 -0.87 0.00 0.00 176.83 177.71 2jwx h VAL 103 N 0.58 0.41 0.00 0.95 2.07 -1.68 -0.46 116.25 118.12 2jwx h VAL 103 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2jwx h VAL 103 Cb 1.26 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2jwx h VAL 103 CO 0.14 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.28 2jwx h PRO 104 N -0.41 0.00 -0.00 1.57 0.13 -1.76 0.43 132.00 131.96 2jwx h PRO 104 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2jwx h PRO 104 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2jwx h PRO 104 CO -0.22 0.00 -0.21 1.28 -0.23 0.00 0.00 178.00 178.62 2jwx n LEU 105 N -2.97 0.36 -4.84 1.56 4.77 -0.36 -4.49 117.00 111.03 2jwx n LEU 105 Ca -0.02 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 2jwx n LEU 105 Cb 0.15 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2jwx n LEU 105 CO 0.21 0.08 -0.13 0.00 -1.33 0.00 0.00 177.39 176.22 2jwx s MET 106 N -2.82 2.88 0.31 3.23 0.23 0.15 -4.66 119.30 118.63 2jwx s MET 106 Ca 0.18 -1.12 0.04 0.00 -1.03 0.00 0.00 55.69 53.76 2jwx s MET 106 Cb 0.19 -2.55 -0.02 0.00 -1.53 0.00 0.00 34.83 30.91 2jwx s MET 106 CO 0.57 0.30 0.47 -0.51 -2.03 0.00 0.00 175.02 173.81 2jwx s ASP 107 N -3.90 6.19 0.02 -1.18 1.11 -1.26 -4.44 116.67 113.20 2jwx s ASP 107 Ca 0.36 0.15 -0.30 0.00 0.18 0.00 0.00 52.55 52.93 2jwx s ASP 107 Cb -0.07 -1.74 -0.05 0.00 1.07 0.00 0.00 42.92 42.12 2jwx s ASP 107 CO 0.26 -0.28 1.32 -0.69 1.18 0.00 0.00 175.17 176.96 2jwx s VAL 108 N -2.18 3.83 0.00 -1.27 1.01 -0.15 -2.12 120.40 119.53 2jwx s VAL 108 Ca 0.39 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2jwx s VAL 108 Cb -0.09 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2jwx s VAL 108 CO 0.32 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2jwx n GLY 109 N 3.48 0.44 3.89 4.51 0.00 -0.15 -4.42 105.19 112.95 2jwx n GLY 109 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 3.62 -0.20 1.61 2.12 -0.90 -4.46 118.70 119.63 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 -2.31 0.06 0.00 0.26 0.00 0.00 34.13 32.14 2jwx s GLU 110 CO 0.00 -0.25 -0.01 0.99 -0.54 0.00 0.00 175.26 175.46 2jwx s THR 111 N -2.75 0.93 -0.07 -1.70 2.01 0.66 -2.62 115.64 112.10 2jwx s THR 111 Ca 0.50 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.78 2jwx s THR 111 Cb -0.10 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 2jwx s THR 111 CO 0.43 -0.12 -0.23 0.00 -0.69 0.00 0.00 174.62 174.01 2jwx s ALA 112 N 1.68 2.03 -0.31 7.40 0.00 -0.68 -1.80 121.76 130.08 2jwx s ALA 112 Ca -0.02 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2jwx s ALA 112 Cb -0.17 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2jwx s ALA 112 CO -0.07 0.33 0.40 1.41 0.00 0.00 0.00 175.76 177.83 2jwx s MET 113 N 0.10 3.79 -0.17 0.00 -2.45 -0.17 -0.35 119.30 120.06 2jwx s MET 113 Ca -0.10 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 2jwx s MET 113 Cb -0.15 -3.74 0.00 0.00 1.25 0.00 0.00 34.83 32.19 2jwx s MET 113 CO 0.06 -0.44 -0.16 0.08 1.05 0.00 0.00 175.02 175.61 2jwx s VAL 114 N 2.13 2.56 -0.39 10.11 1.01 0.12 -0.42 120.40 135.53 2jwx s VAL 114 Ca 0.15 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 2jwx s VAL 114 Cb -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2jwx s VAL 114 CO 0.11 0.51 0.68 0.42 0.00 0.00 0.00 175.10 176.83 2jwx s THR 115 N 0.98 4.81 -0.05 3.92 -4.23 0.13 -0.40 115.64 120.81 2jwx s THR 115 Ca -0.02 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2jwx s THR 115 Cb -0.15 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.56 2jwx s THR 115 CO -0.03 -0.45 0.01 0.00 -0.54 0.00 0.00 174.62 173.61 2jwx s ALA 116 N 2.88 0.49 0.83 3.99 0.00 0.39 -0.22 121.76 130.12 2jwx s ALA 116 Ca 0.26 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 2jwx s ALA 116 Cb -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.42 2jwx s ALA 116 CO 0.17 -0.34 0.69 -3.47 0.00 0.00 0.00 175.76 172.81 2jwx n ASP 117 N 4.84 -0.85 0.23 0.00 -0.08 -0.79 0.09 116.55 119.99 2jwx n ASP 117 Ca -0.12 0.50 0.07 0.00 -1.51 0.00 0.00 54.79 53.73 2jwx n ASP 117 Cb 0.50 -1.30 0.54 0.00 2.34 0.00 0.00 41.12 43.20 2jwx n ASP 117 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2jwx h SER 118 N -0.96 0.00 0.03 1.67 0.87 -1.42 0.44 113.55 114.17 2jwx h SER 118 Ca -0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2jwx h SER 118 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2jwx h SER 118 CO 0.41 0.22 -0.00 0.07 -0.53 0.00 0.00 176.83 176.99 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.86 1.63 116.57 120.66 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 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2jwx h LYS 119 CO 0.03 0.00 -0.21 0.66 -2.00 0.00 0.00 179.45 177.93 2jwx n TYR 120 N -3.28 0.00 0.00 0.07 4.02 0.13 -4.73 117.16 113.37 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2jwx n TYR 120 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jwx n TYR 122 N -1.76 0.00 0.32 0.00 4.01 0.35 -4.51 117.16 115.57 2jwx n TYR 122 Ca 0.00 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.55 2jwx n TYR 122 Cb 0.00 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.00 -0.94 -2.05 2.72 0.00 0.16 0.23 103.07 103.19 2jwx h GLY 123 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2jwx h GLY 123 CO 0.00 -0.33 0.00 -1.55 0.00 0.00 0.00 176.54 174.66 2jwx n PRO 124 N -4.37 2.66 0.02 4.80 -0.04 -1.26 -4.50 135.00 132.31 2jwx n PRO 124 Ca -0.10 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 2jwx n PRO 124 Cb 0.34 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.55 0.00 0.00 0.54 6.02 -1.10 -5.15 117.38 118.24 2jwx n GLN 125 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2jwx n GLN 125 Cb 0.59 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 31.42 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 2.89 -2.96 3.95 1.08 0.00 0.78 -4.98 105.19 105.94 2jwx n GLY 126 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.76 6.10 0.08 1.61 0.15 -1.19 -4.86 113.70 113.83 2jwx s SER 127 Ca 0.00 0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 2jwx s SER 127 Cb 0.00 -1.81 -0.14 0.00 -1.71 0.00 0.00 66.02 62.36 2jwx s SER 127 CO 0.00 -0.47 1.48 0.08 1.20 0.00 0.00 173.24 175.53 2jwx h ARG 128 N 0.60 -0.76 0.00 5.44 0.11 -1.97 -3.31 114.38 114.48 2jwx h ARG 128 Ca -0.48 0.05 -0.06 0.00 0.10 0.00 0.00 59.98 59.60 2jwx h ARG 128 Cb 1.23 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.48 2jwx h ARG 128 CO 0.59 -0.51 -0.50 1.03 0.10 0.00 0.00 179.97 180.69 2jwx h SER 129 N -0.79 0.00 -3.63 0.08 0.87 -1.96 -3.45 113.55 104.68 2jwx h SER 129 Ca -0.04 -0.26 -0.69 0.00 -1.23 0.00 0.00 61.79 59.58 2jwx h SER 129 Cb 0.72 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.42 2jwx h SER 129 CO -0.14 0.90 -0.58 -2.16 -0.53 0.00 0.00 176.83 174.32 2jwx s PRO 130 N -2.10 2.91 -0.23 2.24 0.05 -1.26 -5.03 135.00 131.58 2jwx s PRO 130 Ca -0.15 -0.99 -0.28 0.00 0.05 0.00 0.00 61.00 59.63 2jwx s PRO 130 Cb 0.02 -3.51 -0.05 0.00 0.05 0.00 0.00 34.50 31.01 2jwx s PRO 130 CO 0.32 -0.57 2.23 -0.47 0.05 0.00 0.00 177.00 178.56 2jwx s TYR 131 N 1.50 1.16 -0.29 0.56 5.04 -1.25 -3.14 117.35 120.93 2jwx s TYR 131 Ca 0.01 0.57 -0.29 0.00 -2.44 0.00 0.00 57.07 54.93 2jwx s TYR 131 Cb -0.18 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.22 2jwx s TYR 131 CO 0.04 -4.04 1.15 0.42 -1.34 0.00 0.00 175.55 171.78 2jwx s ILE 132 N 8.44 4.41 -0.34 3.14 -1.09 -1.26 -4.83 121.20 129.66 2jwx s ILE 132 Ca 1.01 1.64 -0.31 0.00 -2.23 0.00 0.00 60.65 60.75 2jwx s ILE 132 Cb -0.32 -4.30 -0.13 0.00 -1.58 0.00 0.00 42.46 36.12 2jwx s ILE 132 CO 0.35 -0.42 1.36 -2.65 -1.23 0.00 0.00 174.94 172.35 2jwx n PRO 133 N 6.90 0.00 -1.70 2.79 -0.01 -1.26 -4.32 135.00 137.40 2jwx n PRO 133 Ca 0.13 0.00 -0.44 0.00 -0.01 0.00 0.00 63.50 63.18 2jwx n PRO 133 Cb 0.47 -1.03 -0.03 0.00 -0.01 0.00 0.00 33.50 32.89 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 4.44 2.50 -0.83 0.52 -0.02 -1.26 0.34 135.00 140.69 2jwx n PRO 134 Ca 0.33 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 2jwx n PRO 134 Cb -0.03 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 2jwx n PRO 134 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2jwx n HIS 135 N 3.61 0.00 -1.93 6.00 -0.00 -1.26 -4.92 115.22 116.72 2jwx n HIS 135 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.45 2jwx n HIS 135 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.29 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx s ALA 136 N -3.15 3.23 -0.38 1.57 0.00 0.15 -4.28 121.76 118.90 2jwx s ALA 136 Ca 0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 2jwx s ALA 136 Cb 0.00 -3.89 0.01 0.00 0.00 0.00 0.00 23.12 19.24 2jwx s ALA 136 CO 0.00 -2.04 1.33 0.00 0.00 0.00 0.00 175.76 175.05 2jwx s ALA 137 N 5.65 3.19 0.73 0.00 0.00 -1.26 -1.43 121.76 128.65 2jwx s ALA 137 Ca 0.80 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 2jwx s ALA 137 Cb -0.30 -3.87 0.03 0.00 0.00 0.00 0.00 23.12 18.99 2jwx s ALA 137 CO 0.33 -2.13 1.10 -0.51 0.00 0.00 0.00 175.76 174.55 2jwx s LEU 138 N 4.88 2.80 -0.27 0.00 1.43 0.11 -1.97 118.68 125.66 2jwx s LEU 138 Ca 0.57 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.81 2jwx s LEU 138 Cb -0.14 -3.90 0.09 0.00 0.03 0.00 0.00 46.19 42.27 2jwx s LEU 138 CO 0.29 -1.53 0.12 0.00 0.23 0.00 0.00 176.35 175.45 2jwx s LEU 140 N 2.02 2.86 -0.39 0.00 0.05 0.47 -0.28 118.68 123.41 2jwx s LEU 140 Ca 0.08 -0.21 -0.16 0.00 0.05 0.00 0.00 54.13 53.89 2jwx s LEU 140 Cb -0.16 -1.63 0.01 0.00 -2.05 0.00 0.00 46.19 42.36 2jwx s LEU 140 CO -0.30 0.26 0.38 -0.70 -0.55 0.00 0.00 176.35 175.44 2jwx s GLU 141 N -0.20 3.24 0.01 1.48 2.12 -1.07 0.10 118.70 124.38 2jwx s GLU 141 Ca 0.01 -0.69 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2jwx s GLU 141 Cb -0.13 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 2jwx s GLU 141 CO 0.03 -0.71 0.11 0.14 -0.54 0.00 0.00 175.26 174.29 2jwx s VAL 142 N 2.00 4.90 -0.26 3.70 -7.23 0.53 -2.08 120.40 121.96 2jwx s VAL 142 Ca 0.11 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2jwx s VAL 142 Cb -0.17 -3.28 0.07 0.00 0.56 0.00 0.00 36.38 33.56 2jwx s VAL 142 CO 0.12 0.29 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.31 2jwx s THR 143 N -1.28 1.47 -0.24 5.32 2.01 0.10 -1.69 115.64 121.34 2jwx s THR 143 Ca 0.26 -1.37 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 2jwx s THR 143 Cb -0.12 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.53 2jwx s THR 143 CO 0.17 -0.27 0.94 -0.22 -0.69 0.00 0.00 174.62 174.55 2jwx s LEU 144 N 1.39 4.08 -0.23 4.42 0.20 -1.08 -0.11 118.68 127.34 2jwx s LEU 144 Ca -0.01 1.19 -0.10 0.00 0.69 0.00 0.00 54.13 55.90 2jwx s LEU 144 Cb -0.19 -3.37 -0.17 0.00 -0.43 0.00 0.00 46.19 42.03 2jwx s LEU 144 CO -0.10 -0.61 -0.09 0.29 -0.29 0.00 0.00 176.35 175.55 2jwx n LYS 145 N 6.21 0.63 -3.77 1.98 4.76 0.24 -0.97 118.16 127.24 2jwx n LYS 145 Ca 0.09 0.29 -0.13 0.00 -2.87 0.00 0.00 58.31 55.70 2jwx n LYS 145 Cb 0.47 -1.59 -0.12 0.00 -1.84 0.00 0.00 35.03 31.96 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2jwx s THR 146 N -2.49 -0.01 -0.06 -0.18 2.01 -1.24 -4.74 115.64 108.93 2jwx s THR 146 Ca -0.33 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2jwx s THR 146 Cb 0.10 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.24 2jwx s THR 146 CO 0.59 0.01 0.01 0.00 -0.69 0.00 0.00 174.62 174.54 2jwx s ALA 147 N 0.40 0.58 -0.02 7.40 0.00 -1.25 -1.57 121.76 127.30 2jwx s ALA 147 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 2jwx s ALA 147 Cb -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2jwx s ALA 147 CO -0.02 -0.40 0.12 0.14 0.00 0.00 0.00 175.76 175.61 2jwx s VAL 148 N 1.85 0.06 -0.10 0.00 -7.23 -0.57 -4.73 120.40 109.68 2jwx s VAL 148 Ca 0.03 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 2jwx s VAL 148 Cb -0.12 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2jwx s VAL 148 CO -0.04 -0.25 1.44 1.51 -0.31 0.00 0.00 175.10 177.45 2jwx s ASP 149 N -0.86 6.82 -0.01 4.85 -4.77 -1.26 0.09 116.67 121.52 2jwx s ASP 149 Ca -0.09 1.98 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 2jwx s ASP 149 Cb -0.05 -2.54 0.02 0.00 -1.09 0.00 0.00 42.92 39.25 2jwx s ASP 149 CO 0.01 -0.82 1.00 -0.11 0.70 0.00 0.00 175.17 175.94 2jwx n LEU 150 N 6.66 -0.99 -4.75 2.11 7.94 -1.20 -4.90 117.00 121.87 2jwx n LEU 150 Ca 0.15 -2.00 -0.41 0.00 -1.11 0.00 0.00 56.01 52.64 2jwx n LEU 150 Cb 0.44 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 2jwx n LEU 150 CO 0.59 1.48 1.14 -0.70 -1.11 0.00 0.00 177.39 178.80 2jwx s GLU 151 N 0.00 4.21 -0.43 1.96 -6.30 -0.88 -4.88 118.70 112.39 2jwx s GLU 151 Ca 0.00 2.41 -0.16 0.00 -2.50 0.00 0.00 54.97 54.72 2jwx s GLU 151 Cb 0.02 -3.07 0.03 0.00 0.00 0.00 0.00 34.13 31.11 2jwx s GLU 151 CO -0.00 -0.48 0.37 -1.01 0.02 0.00 0.00 175.26 174.16 2jwx s HIS 152 N -0.17 3.21 -1.06 5.30 3.76 -1.26 -4.98 115.29 120.09 2jwx s HIS 152 Ca 0.59 -0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 54.67 2jwx s HIS 152 Cb -0.44 -2.83 -0.12 0.00 1.11 0.00 0.00 32.58 30.30 2jwx s HIS 152 CO 0.47 -0.68 2.03 -1.58 -0.85 0.00 0.00 174.74 174.13 2jwx s HIS 153 N 1.86 1.66 -0.55 1.40 2.46 -1.26 -4.86 115.29 115.99 2jwx s HIS 153 Ca 0.07 1.11 -0.29 0.00 0.47 0.00 0.00 55.06 56.43 2jwx s HIS 153 Cb -0.19 -3.79 -0.11 0.00 -0.13 0.00 0.00 32.58 28.36 2jwx s HIS 153 CO 0.11 -1.23 2.42 -2.39 -2.47 0.00 0.00 174.74 171.17 2jwx n HIS 154 N 16.05 1.32 -1.62 3.88 1.44 -1.26 -4.83 115.22 130.19 2jwx n HIS 154 Ca 0.43 0.19 -0.34 0.00 -2.01 0.00 0.00 57.72 55.99 2jwx n HIS 154 Cb 0.46 -2.57 0.02 0.00 0.12 0.00 0.00 29.99 28.02 2jwx n HIS 154 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2jwx n HIS 155 N 13.15 2.50 0.00 -1.40 1.44 -1.26 -3.97 115.22 125.68 2jwx n HIS 155 Ca 0.44 -2.30 0.00 0.00 -2.01 0.00 0.00 57.72 53.85 2jwx n HIS 155 Cb 0.36 -1.27 0.00 0.00 0.12 0.00 0.00 29.99 29.20 2jwx n HIS 155 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jwx n HIS 156 N -0.12 0.00 -1.38 -1.40 8.25 -1.26 -5.35 115.22 113.96 2jwx n HIS 156 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 2jwx n HIS 156 Cb 0.42 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2jwx n HIS 156 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59