#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx s GLY 2 N 0.00 1.47 0.08 -5.12 0.00 -1.26 -4.95 107.32 97.54 2jwx s GLY 2 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 44.72 45.71 2jwx s GLY 2 CO 0.00 3.03 1.19 -0.86 0.00 0.00 0.00 173.10 176.46 2jwx s GLN 3 N 2.86 4.45 0.61 2.90 -2.07 -1.26 -5.04 119.66 122.12 2jwx s GLN 3 Ca 0.77 1.77 -0.12 0.00 -1.82 0.00 0.00 55.36 55.96 2jwx s GLN 3 Cb -0.42 -3.33 -0.04 0.00 -1.09 0.00 0.00 33.01 28.13 2jwx s GLN 3 CO 0.34 -0.21 1.03 -2.14 -1.32 0.00 0.00 175.29 172.99 2jwx s PRO 4 N 0.82 3.60 0.33 9.60 0.02 -1.26 -5.04 135.00 143.08 2jwx s PRO 4 Ca 0.57 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 2jwx s PRO 4 Cb -0.30 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.04 2jwx s PRO 4 CO 0.30 -0.57 1.32 -2.14 -0.33 0.00 0.00 177.00 175.59 2jwx s PRO 5 N -4.99 4.33 0.00 5.54 0.02 -1.26 -4.92 135.00 133.73 2jwx s PRO 5 Ca 0.56 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2jwx s PRO 5 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2jwx s PRO 5 CO 0.50 -0.22 0.00 0.00 -0.33 0.00 0.00 177.00 176.95 2jwx n ALA 6 N 0.79 2.71 -2.54 -1.55 0.00 -1.26 -5.15 120.51 113.51 2jwx n ALA 6 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2jwx n ALA 6 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.88 1.97 -0.05 0.00 0.41 -1.26 -5.02 118.70 113.86 2jwx s GLU 7 Ca 0.00 -1.71 0.17 0.00 -0.41 0.00 0.00 54.97 53.02 2jwx s GLU 7 Cb 0.00 -1.90 0.33 0.00 -1.78 0.00 0.00 34.13 30.78 2jwx s GLU 7 CO 0.00 0.24 1.14 -1.91 -0.49 0.00 0.00 175.26 174.24 2jwx n GLU 8 N -0.82 0.43 -3.05 1.61 4.07 -1.26 -5.08 120.64 116.55 2jwx n GLU 8 Ca -0.05 -2.11 -0.09 0.00 -0.06 0.00 0.00 57.16 54.85 2jwx n GLU 8 Cb 0.61 -0.56 -0.02 0.00 -0.06 0.00 0.00 31.44 31.41 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jwx n ALA 9 N -0.10 -0.10 0.05 4.31 0.00 -1.26 -5.01 120.51 118.40 2jwx n ALA 9 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2jwx n ALA 9 Cb 0.92 0.80 0.00 0.00 0.00 0.00 0.00 19.45 21.17 2jwx n ALA 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jwx n GLU 10 N -0.35 0.00 -0.08 0.00 0.00 -1.26 -4.31 120.64 114.64 2jwx n GLU 10 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.03 2jwx n GLU 10 Cb 0.35 -0.30 -0.10 0.00 0.00 0.00 0.00 31.44 31.39 2jwx n GLU 10 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2jwx h GLN 11 N 0.00 0.00 0.00 3.44 5.75 -1.89 -0.82 115.11 121.59 2jwx h GLN 11 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2jwx h GLN 11 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2jwx h GLN 11 CO 0.00 0.78 0.00 -1.35 -2.65 0.00 0.00 178.83 175.61 2jwx h PRO 12 N -1.00 0.00 0.00 -2.39 0.11 -1.98 -0.63 132.00 126.10 2jwx h PRO 12 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2jwx h PRO 12 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jwx h PRO 12 CO -0.07 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 178.50 2jwx h GLY 13 N 2.06 0.00 -1.93 -0.55 0.00 -1.75 -3.48 103.07 97.42 2jwx h GLY 13 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2jwx h GLY 13 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.16 2jwx n ALA 14 N -1.97 -0.42 -2.55 3.60 0.00 -0.25 -4.87 120.51 114.05 2jwx n ALA 14 Ca 0.05 0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 2jwx n ALA 14 Cb 0.49 -1.74 0.02 0.00 0.00 0.00 0.00 19.45 18.22 2jwx n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jwx n LEU 15 N -2.14 0.00 -1.96 0.00 4.77 -0.40 -4.99 117.00 112.28 2jwx n LEU 15 Ca -0.18 -0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 2jwx n LEU 15 Cb 0.62 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.84 2jwx n LEU 15 CO 0.22 -0.57 1.05 0.00 -1.33 0.00 0.00 177.39 176.76 2jwx n ALA 16 N -2.95 4.70 -2.74 -1.18 0.00 -1.26 -4.84 120.51 112.23 2jwx n ALA 16 Ca -0.03 -2.25 -0.36 0.00 0.00 0.00 0.00 53.44 50.80 2jwx n ALA 16 Cb 0.11 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 2jwx n ALA 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jwx s ARG 17 N -2.80 4.01 0.04 0.00 6.06 -1.26 -5.08 118.95 119.93 2jwx s ARG 17 Ca 0.50 -0.04 -0.03 0.00 -2.50 0.00 0.00 55.73 53.66 2jwx s ARG 17 Cb 0.41 -3.35 -0.02 0.00 0.06 0.00 0.00 34.95 32.04 2jwx s ARG 17 CO 0.11 0.43 0.03 -1.21 -2.50 0.00 0.00 175.30 172.16 2jwx s GLU 18 N -0.06 0.57 0.02 5.12 2.02 -1.26 -4.51 118.70 120.59 2jwx s GLU 18 Ca 0.14 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2jwx s GLU 18 Cb -0.12 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.32 2jwx s GLU 18 CO 0.03 -0.12 0.00 1.97 0.02 0.00 0.00 175.26 177.15 2jwx n PHE 19 N 0.57 -1.89 -3.98 1.61 -1.74 -1.11 -4.93 117.46 105.99 2jwx n PHE 19 Ca -0.17 1.12 -0.22 0.00 -0.56 0.00 0.00 57.45 57.62 2jwx n PHE 19 Cb 0.59 -2.06 -0.03 0.00 1.52 0.00 0.00 39.48 39.51 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 -0.23 4.26 0.00 5.98 1.43 -0.72 -4.61 118.68 124.79 2jwx s LEU 20 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2jwx s LEU 20 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2jwx s LEU 20 CO 0.00 -0.03 0.00 0.00 0.23 0.00 0.00 176.35 176.55 2jwx n ALA 21 N -1.16 0.00 -3.48 4.21 0.00 -1.26 -4.48 120.51 114.34 2jwx n ALA 21 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 2jwx n ALA 21 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx s ALA 22 N 0.00 2.71 -1.03 0.00 0.00 -1.26 -4.97 121.76 117.20 2jwx s ALA 22 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 2jwx s ALA 22 Cb 0.00 -1.52 0.26 0.00 0.00 0.00 0.00 23.12 21.86 2jwx s ALA 22 CO 0.00 -0.25 1.01 1.41 0.00 0.00 0.00 175.76 177.93 2jwx s MET 23 N 1.17 4.00 -0.23 0.00 1.75 -1.26 -4.17 119.30 120.57 2jwx s MET 23 Ca 0.02 -3.04 -0.11 0.00 -1.25 0.00 0.00 55.69 51.31 2jwx s MET 23 Cb -0.14 -4.49 -0.05 0.00 2.84 0.00 0.00 34.83 32.99 2jwx s MET 23 CO -0.03 -1.25 0.17 -1.21 -0.65 0.00 0.00 175.02 172.05 2jwx s GLU 24 N -0.93 4.11 -1.02 4.11 0.41 -1.26 -5.00 118.70 119.13 2jwx s GLU 24 Ca 0.27 -0.23 -0.10 0.00 -0.41 0.00 0.00 54.97 54.51 2jwx s GLU 24 Cb -0.10 -3.51 -0.07 0.00 -1.78 0.00 0.00 34.13 28.67 2jwx s GLU 24 CO -0.08 0.12 2.20 -2.30 -0.49 0.00 0.00 175.26 174.70 2jwx n PRO 25 N 4.08 2.24 -2.72 0.39 -0.02 -1.26 -4.91 135.00 132.79 2jwx n PRO 25 Ca -0.15 -1.71 -0.24 0.00 -2.02 0.00 0.00 63.50 59.38 2jwx n PRO 25 Cb 0.52 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jwx s GLU 26 N 3.55 2.99 0.97 -0.52 0.41 -1.26 -5.09 118.70 119.75 2jwx s GLU 26 Ca 0.48 -0.29 -0.12 0.00 -0.41 0.00 0.00 54.97 54.63 2jwx s GLU 26 Cb 0.12 -2.44 0.17 0.00 -1.78 0.00 0.00 34.13 30.21 2jwx s GLU 26 CO -0.01 -0.46 1.09 -1.25 -0.49 0.00 0.00 175.26 174.14 2jwx s PRO 27 N -4.74 0.69 0.02 0.39 0.04 -1.26 -4.97 135.00 125.17 2jwx s PRO 27 Ca 0.51 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2jwx s PRO 27 Cb -0.10 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2jwx s PRO 27 CO 0.41 -2.61 1.15 0.00 0.04 0.00 0.00 177.00 175.99 2jwx s ALA 28 N -2.87 3.36 -0.12 8.56 0.00 -1.26 -4.93 121.76 124.50 2jwx s ALA 28 Ca 0.65 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 2jwx s ALA 28 Cb -0.19 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2jwx s ALA 28 CO 0.58 -0.46 0.55 -1.25 0.00 0.00 0.00 175.76 175.19 2jwx s PRO 29 N 1.29 4.34 0.00 0.00 0.04 -1.26 -4.70 135.00 134.71 2jwx s PRO 29 Ca 0.57 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2jwx s PRO 29 Cb -0.27 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2jwx s PRO 29 CO 0.27 0.06 0.00 0.00 0.04 0.00 0.00 177.00 177.37 2jwx n ALA 30 N 3.96 0.00 -2.42 8.56 0.00 -1.26 -2.78 120.51 126.58 2jwx n ALA 30 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2jwx n ALA 30 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 4.31 -0.43 0.00 0.04 -1.26 -4.72 135.00 132.94 2jwx s PRO 31 Ca 0.00 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 2jwx s PRO 31 Cb 0.00 -3.61 0.12 0.00 0.04 0.00 0.00 34.50 31.04 2jwx s PRO 31 CO 0.00 -0.53 0.23 0.00 0.04 0.00 0.00 177.00 176.75 2jwx s ALA 32 N 2.55 3.21 -0.55 8.56 0.00 -1.26 -4.92 121.76 129.34 2jwx s ALA 32 Ca 0.57 -2.62 0.16 0.00 0.00 0.00 0.00 51.96 50.07 2jwx s ALA 32 Cb -0.25 -2.45 0.65 0.00 0.00 0.00 0.00 23.12 21.07 2jwx s ALA 32 CO 0.21 -1.84 1.56 -0.35 0.00 0.00 0.00 175.76 175.34 2jwx n PRO 33 N 4.48 3.73 -2.11 0.00 -0.04 -1.26 -4.93 135.00 134.86 2jwx n PRO 33 Ca -0.01 -2.87 -0.18 0.00 -0.04 0.00 0.00 63.50 60.40 2jwx n PRO 33 Cb 0.41 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 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 0.39 -1.73 -2.50 0.54 1.02 -1.26 -4.88 120.64 112.22 2jwx n GLU 34 Ca 0.23 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 57.89 2jwx n GLU 34 Cb 0.93 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.88 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2jwx s GLU 35 N -4.52 3.56 -0.45 3.49 0.41 -1.26 -4.92 118.70 115.01 2jwx s GLU 35 Ca 0.00 -1.27 -0.46 0.00 -0.41 0.00 0.00 54.97 52.83 2jwx s GLU 35 Cb 0.00 -5.37 -0.20 0.00 -1.78 0.00 0.00 34.13 26.78 2jwx s GLU 35 CO 0.00 -2.38 1.56 0.91 -0.49 0.00 0.00 175.26 174.85 2jwx n TRP 36 N 9.39 1.67 -3.45 1.61 7.02 -1.26 -4.76 117.44 127.66 2jwx n TRP 36 Ca 0.38 1.13 -0.39 0.00 -1.02 0.00 0.00 57.50 57.60 2jwx n TRP 36 Cb 0.49 -2.22 -0.10 0.00 -2.42 0.00 0.00 31.31 27.06 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 2.75 4.03 -0.88 -0.99 2.96 -0.71 -4.86 118.68 120.99 2jwx s LEU 37 Ca 1.04 0.20 -0.25 0.00 -0.22 0.00 0.00 54.13 54.90 2jwx s LEU 37 Cb -1.47 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 2jwx s LEU 37 CO 0.79 -0.14 1.68 1.51 -1.32 0.00 0.00 176.35 178.87 2jwx s ASP 38 N 1.66 5.75 0.15 3.68 -4.77 -1.26 -2.15 116.67 119.73 2jwx s ASP 38 Ca 0.13 -0.75 -0.23 0.00 -3.30 0.00 0.00 52.55 48.40 2jwx s ASP 38 Cb -0.16 -2.56 0.02 0.00 -1.09 0.00 0.00 42.92 39.13 2jwx s ASP 38 CO 0.10 -2.16 1.63 0.40 0.70 0.00 0.00 175.17 175.85 2jwx h ILE 39 N 6.89 0.40 -0.02 2.11 2.04 -0.56 -0.05 117.51 128.31 2jwx h ILE 39 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2jwx h ILE 39 Cb 1.04 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jwx h ILE 39 CO 1.29 0.00 -0.06 0.18 0.00 0.00 0.00 178.15 179.56 2jwx n LEU 40 N -5.37 2.19 0.00 1.44 7.99 -1.26 -4.87 117.00 117.12 2jwx n LEU 40 Ca -0.01 -0.73 0.00 0.00 -0.01 0.00 0.00 56.01 55.25 2jwx n LEU 40 Cb 0.29 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2jwx n LEU 40 CO 0.16 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.02 2jwx n GLY 41 N 1.29 0.09 0.08 -0.72 0.00 -0.03 -4.81 105.19 101.08 2jwx n GLY 41 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.56 0.53 0.00 1.61 2.04 -1.26 -4.88 115.26 112.74 2jwx n ASN 42 Ca 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 54.58 54.71 2jwx n ASN 42 Cb 0.28 -0.70 0.00 0.00 -2.53 0.00 0.00 39.78 36.83 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 1.03 3.06 0.18 4.83 0.00 -1.26 -4.73 105.19 108.30 2jwx n GLY 43 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -7.73 0.99 -0.00 -1.89 -3.44 115.31 103.24 2jwx h LEU 44 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.24 2jwx h LEU 44 Cb 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 40.28 2jwx h LEU 44 CO 0.00 0.08 -0.78 -0.22 -0.00 0.00 0.00 178.44 177.52 2jwx s LEU 45 N -6.02 3.28 -0.02 1.67 1.98 -1.24 -1.78 118.68 116.55 2jwx s LEU 45 Ca 0.04 -1.44 -0.01 0.00 -2.89 0.00 0.00 54.13 49.83 2jwx s LEU 45 Cb 0.07 -1.40 0.01 0.00 0.66 0.00 0.00 46.19 45.52 2jwx s LEU 45 CO 0.71 -0.24 0.04 -0.13 -1.89 0.00 0.00 176.35 174.84 2jwx s ARG 46 N 1.20 0.04 -0.11 1.98 0.52 0.81 0.27 118.95 123.65 2jwx s ARG 46 Ca -0.04 0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2jwx s ARG 46 Cb -0.19 0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 2jwx s ARG 46 CO -0.07 -0.02 -0.02 0.21 0.02 0.00 0.00 175.30 175.43 2jwx s LYS 47 N 0.11 3.26 -0.20 3.54 2.20 -0.92 -0.19 119.74 127.55 2jwx s LYS 47 Ca -0.01 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2jwx s LYS 47 Cb -0.01 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.49 2jwx s LYS 47 CO -0.00 0.51 -0.17 0.21 -0.36 0.00 0.00 175.35 175.53 2jwx s LYS 48 N -0.35 2.91 -0.55 4.03 2.20 0.60 -1.73 119.74 126.86 2jwx s LYS 48 Ca 0.06 -0.89 -0.27 0.00 -0.36 0.00 0.00 55.97 54.51 2jwx s LYS 48 Cb -0.12 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 2jwx s LYS 48 CO 0.02 -0.27 1.71 0.95 -0.36 0.00 0.00 175.35 177.41 2jwx s THR 49 N 1.28 3.50 -0.04 3.43 -4.23 -1.26 -1.34 115.64 116.98 2jwx s THR 49 Ca 0.03 0.39 -0.23 0.00 -1.18 0.00 0.00 61.69 60.70 2jwx s THR 49 Cb -0.14 -4.05 -0.27 0.00 1.34 0.00 0.00 72.50 69.38 2jwx s THR 49 CO -0.11 -0.91 0.97 -0.07 -0.54 0.00 0.00 174.62 173.96 2jwx h LEU 50 N 14.92 0.39 -7.52 4.79 3.38 -1.76 -3.39 115.31 126.11 2jwx h LEU 50 Ca -0.28 -0.87 -0.41 0.00 0.09 0.00 0.00 57.88 56.42 2jwx h LEU 50 Cb 1.14 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.40 2jwx h LEU 50 CO 1.17 1.21 -0.76 -0.69 0.09 0.00 0.00 178.44 179.47 2jwx s VAL 51 N -2.78 0.31 -0.13 1.22 1.01 -0.55 -4.96 120.40 114.53 2jwx s VAL 51 Ca -0.15 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2jwx s VAL 51 Cb 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2jwx s VAL 51 CO 0.79 0.23 0.06 -2.16 0.00 0.00 0.00 175.10 174.02 2jwx s PRO 52 N 1.66 3.43 0.37 2.72 0.04 -1.26 -0.16 135.00 141.80 2jwx s PRO 52 Ca -0.00 -0.31 -0.26 0.00 0.04 0.00 0.00 61.00 60.47 2jwx s PRO 52 Cb -0.13 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 2jwx s PRO 52 CO -0.04 0.58 1.11 0.41 0.04 0.00 0.00 177.00 179.10 2jwx n GLY 53 N 2.55 0.06 3.63 0.56 0.00 -1.26 -4.63 105.19 106.09 2jwx n GLY 53 Ca -0.18 0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2jwx n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jwx n PRO 54 N 0.37 1.65 -0.39 1.61 -0.02 -1.26 -4.23 135.00 132.72 2jwx n PRO 54 Ca 0.08 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2jwx n PRO 54 Cb 0.37 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 55 N 1.13 0.00 0.00 0.52 -0.02 -1.12 -1.43 135.00 134.09 2jwx n PRO 55 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2jwx n PRO 55 Cb 0.32 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 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 1.80 2.46 6.53 -1.23 0.00 -1.26 -4.72 105.19 108.76 2jwx n GLY 56 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.03 0.00 -3.67 1.61 7.64 -0.51 -2.81 113.62 117.92 2jwx n SER 57 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2jwx n SER 57 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -3.73 -0.73 -0.73 6.43 0.01 -1.26 -1.75 113.70 111.94 2jwx s SER 58 Ca 0.00 1.25 -0.04 0.00 1.31 0.00 0.00 55.95 58.47 2jwx s SER 58 Cb 0.00 1.17 0.19 0.00 0.21 0.00 0.00 66.02 67.58 2jwx s SER 58 CO 0.00 -0.22 0.58 -0.13 0.41 0.00 0.00 173.24 173.88 2jwx s ARG 59 N 1.16 2.90 0.51 12.44 1.81 -1.26 -1.11 118.95 135.40 2jwx s ARG 59 Ca -0.07 -2.74 -0.22 0.00 -1.72 0.00 0.00 55.73 50.99 2jwx s ARG 59 Cb -0.06 -3.88 -0.06 0.00 -0.45 0.00 0.00 34.95 30.50 2jwx s ARG 59 CO -0.11 -1.21 1.24 -1.25 -0.68 0.00 0.00 175.30 173.28 2jwx s PRO 60 N -0.41 3.40 0.30 3.54 0.04 -1.26 -4.38 135.00 136.23 2jwx s PRO 60 Ca 0.20 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 2jwx s PRO 60 Cb -0.15 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 2jwx s PRO 60 CO -0.06 -0.89 0.59 0.14 0.04 0.00 0.00 177.00 176.81 2jwx s VAL 61 N -1.48 4.97 -0.68 -0.36 -7.23 -1.26 -4.36 120.40 110.01 2jwx s VAL 61 Ca 0.69 0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 60.82 2jwx s VAL 61 Cb -0.33 -3.71 -0.13 0.00 0.56 0.00 0.00 36.38 32.77 2jwx s VAL 61 CO 0.39 -0.31 2.48 0.29 -0.31 0.00 0.00 175.10 177.64 2jwx n LYS 62 N -0.85 0.67 0.00 4.82 4.01 -1.26 -1.05 118.16 124.51 2jwx n LYS 62 Ca -0.01 -0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 2jwx n LYS 62 Cb 0.54 -2.86 0.00 0.00 -0.51 0.00 0.00 35.03 32.19 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 6.20 0.41 3.69 0.72 0.00 0.27 -4.75 105.19 111.73 2jwx n GLY 63 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 4.37 -0.29 1.61 -1.52 -0.21 -2.43 119.66 121.19 2jwx s GLN 64 Ca 0.00 1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 54.17 2jwx s GLN 64 Cb 0.00 -3.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 2jwx s GLN 64 CO 0.00 -0.19 1.42 0.54 -0.25 0.00 0.00 175.29 176.80 2jwx s VAL 65 N 1.65 3.97 -0.10 1.09 0.11 0.15 -2.50 120.40 124.77 2jwx s VAL 65 Ca 0.40 1.08 0.01 0.00 -2.93 0.00 0.00 61.98 60.54 2jwx s VAL 65 Cb -0.17 -4.02 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 2jwx s VAL 65 CO 0.16 -0.46 -0.12 0.68 -3.33 0.00 0.00 175.10 172.03 2jwx s VAL 66 N 4.80 3.21 -0.39 2.04 -7.23 -0.99 -2.58 120.40 119.26 2jwx s VAL 66 Ca 0.62 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 2jwx s VAL 66 Cb -0.19 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2jwx s VAL 66 CO 0.26 0.55 0.62 0.42 -0.31 0.00 0.00 175.10 176.65 2jwx s THR 67 N -0.15 4.88 -0.14 5.32 -4.23 -0.84 -2.21 115.64 118.27 2jwx s THR 67 Ca -0.00 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2jwx s THR 67 Cb -0.13 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.59 2jwx s THR 67 CO 0.03 -0.42 -0.18 0.68 -0.54 0.00 0.00 174.62 174.19 2jwx s VAL 68 N 2.72 2.43 -0.41 2.29 -7.23 0.70 -2.14 120.40 118.76 2jwx s VAL 68 Ca 0.23 -0.86 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 2jwx s VAL 68 Cb -0.14 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2jwx s VAL 68 CO 0.16 0.53 1.06 -2.28 -0.31 0.00 0.00 175.10 174.27 2jwx s HIS 69 N 0.72 2.97 -0.13 2.82 2.46 0.79 0.54 115.29 125.46 2jwx s HIS 69 Ca -0.08 0.83 0.01 0.00 0.47 0.00 0.00 55.06 56.29 2jwx s HIS 69 Cb -0.16 -4.05 0.02 0.00 -0.13 0.00 0.00 32.58 28.26 2jwx s HIS 69 CO 0.01 -1.04 -0.16 -1.17 -2.47 0.00 0.00 174.74 169.91 2jwx s LEU 70 N 3.99 1.80 -0.22 8.88 0.20 -0.13 0.11 118.68 133.31 2jwx s LEU 70 Ca 0.44 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 54.78 2jwx s LEU 70 Cb -0.10 -1.21 0.03 0.00 -0.43 0.00 0.00 46.19 44.48 2jwx s LEU 70 CO 0.24 -0.00 -0.14 -1.10 -0.29 0.00 0.00 176.35 175.06 2jwx s GLN 71 N 1.17 2.80 -0.24 1.98 1.11 -1.04 -0.29 119.66 125.15 2jwx s GLN 71 Ca -0.01 -0.97 -0.10 0.00 0.01 0.00 0.00 55.36 54.28 2jwx s GLN 71 Cb -0.14 -2.77 -0.05 0.00 -1.01 0.00 0.00 33.01 29.05 2jwx s GLN 71 CO -0.06 -0.34 0.14 0.99 0.01 0.00 0.00 175.29 176.04 2jwx s THR 72 N 1.26 5.14 -0.02 -0.19 2.01 -0.73 -2.17 115.64 120.95 2jwx s THR 72 Ca 0.01 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.16 2jwx s THR 72 Cb -0.16 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2jwx s THR 72 CO -0.09 0.34 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.11 2jwx s SER 73 N 1.22 4.12 1.08 3.53 1.04 0.28 0.22 113.70 125.19 2jwx s SER 73 Ca 0.07 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 2jwx s SER 73 Cb -0.14 -0.85 0.24 0.00 0.10 0.00 0.00 66.02 65.36 2jwx s SER 73 CO 0.05 0.31 1.06 -0.76 0.98 0.00 0.00 173.24 174.89 2jwx s LEU 74 N -1.03 1.43 0.55 2.42 1.43 0.20 0.20 118.68 123.88 2jwx s LEU 74 Ca 0.13 1.67 0.23 0.00 -1.03 0.00 0.00 54.13 55.14 2jwx s LEU 74 Cb -0.11 -3.73 1.52 0.00 0.03 0.00 0.00 46.19 43.90 2jwx s LEU 74 CO 0.03 -3.82 2.16 1.05 0.23 0.00 0.00 176.35 176.00 2jwx h GLU 75 N -2.36 0.00 0.00 1.70 4.11 -1.72 0.65 114.58 116.96 2jwx h GLU 75 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2jwx h GLU 75 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jwx h GLU 75 CO 0.49 0.00 0.00 -0.97 0.07 0.00 0.00 179.01 178.60 2jwx h ASN 76 N 0.00 0.00 0.00 3.06 -1.24 -1.89 -3.47 115.58 112.03 2jwx h ASN 76 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2jwx h ASN 76 Cb 0.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.22 2jwx h ASN 76 CO -0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2jwx n GLY 77 N 0.95 0.63 3.61 1.57 0.00 0.23 -5.07 105.19 107.12 2jwx n GLY 77 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 4.32 -0.22 2.61 2.01 -1.25 -4.49 115.64 116.62 2jwx s THR 78 Ca 0.00 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.10 2jwx s THR 78 Cb 0.00 -4.53 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 2jwx s THR 78 CO 0.00 -0.81 2.20 0.54 -0.69 0.00 0.00 174.62 175.85 2jwx n ARG 79 N 7.47 1.89 0.01 4.92 3.00 -1.26 0.58 116.66 133.27 2jwx n ARG 79 Ca 0.12 0.54 0.12 0.00 -0.01 0.00 0.00 57.85 58.61 2jwx n ARG 79 Cb 0.48 -3.09 0.17 0.00 0.00 0.00 0.00 32.46 30.02 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 7.46 0.06 -3.47 1.55 0.24 0.13 -4.93 118.33 119.37 2jwx n VAL 80 Ca 0.31 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.41 2jwx n VAL 80 Cb 0.41 0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 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 -3.04 1.19 -0.22 7.34 1.03 -1.19 -4.65 119.66 120.12 2jwx s GLN 81 Ca 0.09 -0.28 -0.04 0.00 0.04 0.00 0.00 55.36 55.17 2jwx s GLN 81 Cb 0.16 0.55 0.09 0.00 0.03 0.00 0.00 33.01 33.85 2jwx s GLN 81 CO 0.74 -0.48 0.20 -2.00 -2.54 0.00 0.00 175.29 171.20 2jwx s GLU 82 N -3.00 0.18 -0.34 9.60 2.12 -1.26 -1.78 118.70 124.22 2jwx s GLU 82 Ca -0.02 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 2jwx s GLU 82 Cb -0.01 -1.25 0.08 0.00 0.26 0.00 0.00 34.13 33.22 2jwx s GLU 82 CO -0.06 -0.76 0.07 -2.00 -0.54 0.00 0.00 175.26 171.97 2jwx s GLU 83 N 2.27 2.14 0.11 4.30 2.56 0.60 -4.99 118.70 125.68 2jwx s GLU 83 Ca 0.07 -1.54 0.13 0.00 0.00 0.00 0.00 54.97 53.62 2jwx s GLU 83 Cb -0.16 -3.31 0.59 0.00 2.00 0.00 0.00 34.13 33.25 2jwx s GLU 83 CO -0.17 -0.82 1.39 -0.35 -0.56 0.00 0.00 175.26 174.75 2jwx n PRO 84 N 4.55 0.06 -3.19 4.30 -0.04 -1.26 -0.96 135.00 138.46 2jwx n PRO 84 Ca -0.07 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.87 2jwx n PRO 84 Cb 0.42 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 2jwx n PRO 84 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2jwx s GLU 85 N -3.16 0.30 -0.34 0.54 -1.05 -1.26 -4.16 118.70 109.57 2jwx s GLU 85 Ca 0.02 0.57 -0.08 0.00 -0.15 0.00 0.00 54.97 55.34 2jwx s GLU 85 Cb 0.06 0.32 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2jwx s GLU 85 CO 0.19 -0.30 0.13 -1.17 0.95 0.00 0.00 175.26 175.06 2jwx s LEU 86 N 2.86 4.34 -0.09 1.83 2.96 0.19 -4.73 118.68 126.04 2jwx s LEU 86 Ca 0.04 -1.04 -0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2jwx s LEU 86 Cb -0.11 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2jwx s LEU 86 CO -0.14 -0.32 -0.05 0.54 -1.32 0.00 0.00 176.35 175.05 2jwx s VAL 87 N 1.45 3.81 0.21 1.68 0.11 -1.23 -0.22 120.40 126.22 2jwx s VAL 87 Ca -0.00 -0.43 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 2jwx s VAL 87 Cb -0.19 -2.59 0.05 0.00 -1.53 0.00 0.00 36.38 32.12 2jwx s VAL 87 CO 0.04 0.58 0.66 0.72 -3.33 0.00 0.00 175.10 173.77 2jwx s PHE 88 N -0.57 -0.38 -0.50 1.54 -0.71 -0.94 -4.96 117.98 111.45 2jwx s PHE 88 Ca 0.09 0.06 -0.28 0.00 -1.04 0.00 0.00 56.93 55.76 2jwx s PHE 88 Cb -0.12 0.63 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 2jwx s PHE 88 CO 0.02 -1.02 1.66 0.99 -1.34 0.00 0.00 175.22 175.54 2jwx s THR 89 N -3.81 3.57 0.34 -4.49 2.01 -1.26 -2.35 115.64 109.66 2jwx s THR 89 Ca 0.06 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 2jwx s THR 89 Cb -0.03 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 2jwx s THR 89 CO -0.04 -0.85 1.47 -0.22 -0.69 0.00 0.00 174.62 174.29 2jwx s LEU 90 N 7.22 4.35 0.00 4.42 2.96 -1.04 -2.30 118.68 134.28 2jwx s LEU 90 Ca 0.65 2.94 0.00 0.00 -0.22 0.00 0.00 54.13 57.50 2jwx s LEU 90 Cb -0.15 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2jwx s LEU 90 CO 0.27 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 175.10 2jwx n GLY 91 N 0.93 2.15 0.13 7.98 0.00 -1.15 0.97 105.19 116.21 2jwx n GLY 91 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.41 -3.49 1.61 2.03 -0.97 -4.87 116.55 111.28 2jwx n ASP 92 Ca 0.00 -1.27 -0.26 0.00 0.52 0.00 0.00 54.79 53.78 2jwx n ASP 92 Cb 0.00 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.42 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 -0.15 0.00 1.82 -1.90 -3.44 116.42 111.05 2jwx h ASP 94 Ca -0.53 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 2jwx h ASP 94 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2jwx h ASP 94 CO 0.59 0.00 0.00 1.33 -1.61 0.00 0.00 179.24 179.55 2jwx n VAL 95 N -2.54 0.00 -2.60 2.25 0.24 -1.26 -4.95 118.33 109.48 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 0.20 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 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 1.15 3.81 0.59 1.34 -4.36 -1.26 -4.88 121.20 117.60 2jwx s ILE 96 Ca 0.00 1.52 0.30 0.00 -0.26 0.00 0.00 60.65 62.22 2jwx s ILE 96 Cb 0.00 -3.86 0.36 0.00 1.25 0.00 0.00 42.46 40.21 2jwx s ILE 96 CO 0.00 0.14 2.24 -0.61 0.24 0.00 0.00 174.94 176.95 2jwx h GLN 97 N 3.04 0.00 -0.24 0.37 5.75 -1.56 0.14 115.11 122.61 2jwx h GLN 97 Ca -0.47 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.07 2jwx h GLN 97 Cb 1.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 2jwx h GLN 97 CO 0.64 0.00 -0.02 0.00 -2.65 0.00 0.00 178.83 176.80 2jwx h ALA 98 N 1.96 0.19 0.00 3.38 0.00 -1.10 -2.68 119.26 121.02 2jwx h ALA 98 Ca 0.01 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2jwx h ALA 98 Cb 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jwx h ALA 98 CO -0.00 -0.44 -1.00 1.25 0.00 0.00 0.00 179.25 179.05 2jwx h LEU 99 N 0.04 0.01 -0.63 0.00 5.85 -1.04 -2.21 115.31 117.34 2jwx h LEU 99 Ca 0.11 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 2jwx h LEU 99 Cb 0.16 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2jwx h LEU 99 CO -0.21 1.01 -0.67 -2.24 -0.34 0.00 0.00 178.44 175.98 2jwx h ASP 100 N 0.00 0.08 0.43 1.25 2.03 -1.11 -2.68 116.42 116.42 2jwx h ASP 100 Ca -0.01 -0.05 -0.30 0.00 -0.73 0.00 0.00 57.03 55.93 2jwx h ASP 100 Cb 1.77 -0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 40.20 2jwx h ASP 100 CO 0.13 0.73 -1.78 0.18 -1.03 0.00 0.00 179.24 177.47 2jwx n LEU 101 N -3.76 0.84 -0.06 0.15 4.77 -1.02 -2.92 117.00 114.99 2jwx n LEU 101 Ca -0.02 0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 2jwx n LEU 101 Cb 0.66 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 2jwx n LEU 101 CO 0.44 0.41 0.40 0.77 -1.33 0.00 0.00 177.39 178.08 2jwx h SER 102 N 0.00 0.86 -0.01 -1.43 4.64 -1.15 -2.87 113.55 113.60 2jwx h SER 102 Ca -0.31 -0.57 0.03 0.00 -0.47 0.00 0.00 61.79 60.47 2jwx h SER 102 Cb 2.04 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.83 2jwx h SER 102 CO 0.07 1.27 -0.31 0.58 -0.87 0.00 0.00 176.83 177.58 2jwx h VAL 103 N 0.49 0.32 0.00 0.95 2.07 -1.73 -0.11 116.25 118.25 2jwx h VAL 103 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2jwx h VAL 103 Cb 1.16 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2jwx h VAL 103 CO 0.12 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.26 2jwx h PRO 104 N -0.45 0.00 0.00 1.57 0.13 -1.76 0.37 132.00 131.86 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 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2jwx h PRO 104 CO -0.26 0.00 -0.19 1.28 -0.23 0.00 0.00 178.00 178.60 2jwx n LEU 105 N -2.71 0.36 -4.86 1.56 4.77 -0.40 -4.59 117.00 111.13 2jwx n LEU 105 Ca -0.00 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.14 2jwx n LEU 105 Cb 0.19 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2jwx n LEU 105 CO 0.21 -0.01 -0.11 0.00 -1.33 0.00 0.00 177.39 176.14 2jwx s MET 106 N -3.04 2.92 0.21 3.23 0.23 0.13 -5.07 119.30 117.91 2jwx s MET 106 Ca 0.12 -1.10 0.03 0.00 -1.03 0.00 0.00 55.69 53.70 2jwx s MET 106 Cb 0.17 -2.58 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2jwx s MET 106 CO 0.60 0.28 0.35 -0.51 -2.03 0.00 0.00 175.02 173.71 2jwx s ASP 107 N -3.93 6.34 0.09 -1.18 1.11 -1.26 -4.56 116.67 113.28 2jwx s ASP 107 Ca 0.36 0.20 -0.31 0.00 0.18 0.00 0.00 52.55 52.98 2jwx s ASP 107 Cb -0.07 -1.92 -0.09 0.00 1.07 0.00 0.00 42.92 41.91 2jwx s ASP 107 CO 0.26 -0.04 1.65 -0.69 1.18 0.00 0.00 175.17 177.54 2jwx s VAL 108 N -1.90 2.93 0.00 -1.27 1.01 -0.27 -1.37 120.40 119.53 2jwx s VAL 108 Ca 0.35 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2jwx s VAL 108 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2jwx s VAL 108 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2jwx n GLY 109 N 3.97 0.34 3.82 4.51 0.00 0.78 -4.52 105.19 114.09 2jwx n GLY 109 Ca 0.16 0.00 -0.33 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 -0.94 3.78 -0.23 1.61 2.12 -0.47 -4.45 118.70 120.12 2jwx s GLU 110 Ca 0.00 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.43 2jwx s GLU 110 Cb 0.00 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.34 2jwx s GLU 110 CO 0.00 -0.42 -0.04 0.99 -0.54 0.00 0.00 175.26 175.25 2jwx s THR 111 N -2.45 1.36 -0.06 -1.70 2.01 0.77 -2.57 115.64 113.01 2jwx s THR 111 Ca 0.62 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2jwx s THR 111 Cb -0.12 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2jwx s THR 111 CO 0.30 -0.12 -0.14 0.00 -0.69 0.00 0.00 174.62 173.96 2jwx s ALA 112 N 1.47 1.37 -0.31 7.40 0.00 -0.64 -1.48 121.76 129.57 2jwx s ALA 112 Ca -0.05 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 2jwx s ALA 112 Cb -0.19 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2jwx s ALA 112 CO -0.06 0.18 0.40 1.41 0.00 0.00 0.00 175.76 177.69 2jwx s MET 113 N 0.39 3.79 -0.20 0.00 -2.45 -0.45 -0.16 119.30 120.23 2jwx s MET 113 Ca -0.10 -0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 54.19 2jwx s MET 113 Cb -0.14 -3.73 0.01 0.00 1.25 0.00 0.00 34.83 32.22 2jwx s MET 113 CO 0.03 -0.43 -0.14 0.08 1.05 0.00 0.00 175.02 175.61 2jwx s VAL 114 N 2.12 2.48 -0.38 10.11 1.01 0.12 -0.29 120.40 135.58 2jwx s VAL 114 Ca 0.15 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2jwx s VAL 114 Cb -0.16 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2jwx s VAL 114 CO 0.11 0.46 0.66 0.42 0.00 0.00 0.00 175.10 176.76 2jwx s THR 115 N 1.34 4.85 -0.05 3.92 -4.23 0.73 -1.30 115.64 120.90 2jwx s THR 115 Ca 0.04 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2jwx s THR 115 Cb -0.14 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.60 2jwx s THR 115 CO -0.09 -0.39 -0.07 0.00 -0.54 0.00 0.00 174.62 173.52 2jwx s ALA 116 N 2.80 0.82 0.76 3.99 0.00 -0.68 -0.13 121.76 129.32 2jwx s ALA 116 Ca 0.25 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 2jwx s ALA 116 Cb -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2jwx s ALA 116 CO 0.16 0.04 0.60 -3.47 0.00 0.00 0.00 175.76 173.09 2jwx n ASP 117 N 3.90 -1.02 0.26 0.00 -0.08 -0.73 0.02 116.55 118.90 2jwx n ASP 117 Ca -0.24 0.56 0.12 0.00 -1.51 0.00 0.00 54.79 53.72 2jwx n ASP 117 Cb 0.51 -1.25 0.73 0.00 2.34 0.00 0.00 41.12 43.45 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 -0.56 0.00 -0.02 1.67 0.87 -1.50 0.54 113.55 114.55 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 1.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2jwx h SER 118 CO 0.42 0.10 0.03 0.07 -0.53 0.00 0.00 176.83 176.92 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.86 1.76 116.57 120.79 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 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2jwx h LYS 119 CO 0.01 0.00 -0.41 0.66 -2.00 0.00 0.00 179.45 177.72 2jwx n TYR 120 N -3.44 0.00 0.00 0.07 4.02 0.17 -4.72 117.16 113.27 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 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.59 0.00 0.00 0.00 4.01 0.34 -4.59 117.16 115.33 2jwx n TYR 122 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2jwx n TYR 122 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 2jwx n TYR 122 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwx n GLY 123 N -0.15 -2.57 0.76 2.72 0.00 0.51 -0.09 105.19 106.37 2jwx n GLY 123 Ca 0.02 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2jwx n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jwx n PRO 124 N -2.06 1.92 0.06 1.61 -0.04 -1.26 -4.40 135.00 130.83 2jwx n PRO 124 Ca 0.00 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2jwx n PRO 124 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.15 0.00 0.00 0.54 6.02 -1.09 -5.16 117.38 117.85 2jwx n GLN 125 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2jwx n GLN 125 Cb 0.43 -0.34 0.00 0.00 1.02 0.00 0.00 30.24 31.35 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 2.74 -0.74 3.94 1.08 0.00 0.88 -5.00 105.19 108.08 2jwx n GLY 126 Ca 0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.43 5.98 0.28 1.61 0.15 -1.15 -4.79 113.70 114.35 2jwx s SER 127 Ca 0.00 0.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 2jwx s SER 127 Cb 0.00 -1.74 0.48 0.00 -1.71 0.00 0.00 66.02 63.05 2jwx s SER 127 CO 0.00 -0.60 1.89 0.08 1.20 0.00 0.00 173.24 175.80 2jwx h ARG 128 N 0.44 1.06 0.00 5.44 0.11 -1.97 -3.34 114.38 116.12 2jwx h ARG 128 Ca -0.47 -0.06 -0.13 0.00 0.10 0.00 0.00 59.98 59.41 2jwx h ARG 128 Cb 1.24 -0.24 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 2jwx h ARG 128 CO 0.59 0.70 -1.23 0.45 0.10 0.00 0.00 179.97 180.58 2jwx n SER 129 N -4.51 1.22 -4.39 0.08 2.88 -1.26 -4.95 113.62 102.68 2jwx n SER 129 Ca 0.15 0.20 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 2jwx n SER 129 Cb 0.22 -0.47 -0.11 0.00 -0.75 0.00 0.00 64.21 63.10 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 -2.34 2.97 -0.22 -1.46 0.05 -1.25 -5.03 135.00 127.71 2jwx s PRO 130 Ca -0.17 -0.98 -0.28 0.00 0.05 0.00 0.00 61.00 59.62 2jwx s PRO 130 Cb 0.05 -3.67 -0.05 0.00 0.05 0.00 0.00 34.50 30.88 2jwx s PRO 130 CO 0.23 -0.62 2.13 -0.47 0.05 0.00 0.00 177.00 178.33 2jwx s TYR 131 N 1.57 1.28 -0.33 0.56 5.04 -1.25 -2.94 117.35 121.27 2jwx s TYR 131 Ca 0.03 0.51 -0.28 0.00 -2.44 0.00 0.00 57.07 54.88 2jwx s TYR 131 Cb -0.19 -3.97 0.02 0.00 0.35 0.00 0.00 41.96 38.17 2jwx s TYR 131 CO 0.06 -3.96 1.03 0.42 -1.34 0.00 0.00 175.55 171.77 2jwx s ILE 132 N 7.87 4.53 -0.46 3.14 -1.09 -1.26 -4.83 121.20 129.10 2jwx s ILE 132 Ca 0.96 1.58 -0.38 0.00 -2.23 0.00 0.00 60.65 60.59 2jwx s ILE 132 Cb -0.32 -4.39 -0.17 0.00 -1.58 0.00 0.00 42.46 36.01 2jwx s ILE 132 CO 0.35 -0.50 1.89 -2.65 -1.23 0.00 0.00 174.94 172.80 2jwx n PRO 133 N 6.85 0.00 -1.58 2.79 -0.02 -1.26 -4.38 135.00 137.40 2jwx n PRO 133 Ca 0.11 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 61.09 2jwx n PRO 133 Cb 0.47 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jwx n PRO 134 N 6.56 1.15 -0.13 0.52 -0.04 -1.26 -0.06 135.00 141.74 2jwx n PRO 134 Ca 0.48 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2jwx n PRO 134 Cb -0.03 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2jwx n PRO 134 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2jwx n HIS 135 N 1.81 0.00 -1.59 0.54 -0.00 -1.26 -4.93 115.22 109.79 2jwx n HIS 135 Ca 0.16 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.43 2jwx n HIS 135 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.18 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx n ALA 136 N -0.38 1.52 -2.44 1.57 0.00 0.92 -3.79 120.51 117.90 2jwx n ALA 136 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2jwx n ALA 136 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 16.66 2jwx n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx s ALA 137 N 7.00 3.33 0.73 0.00 0.00 -1.26 -2.01 121.76 129.55 2jwx s ALA 137 Ca 1.00 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 2jwx s ALA 137 Cb -0.49 -3.79 0.03 0.00 0.00 0.00 0.00 23.12 18.87 2jwx s ALA 137 CO 0.41 -1.83 1.09 -0.51 0.00 0.00 0.00 175.76 174.91 2jwx s LEU 138 N 4.42 2.85 -0.30 0.00 2.01 0.10 -1.98 118.68 125.79 2jwx s LEU 138 Ca 0.55 1.29 -0.03 0.00 0.01 0.00 0.00 54.13 55.96 2jwx s LEU 138 Cb -0.16 -4.06 0.10 0.00 0.01 0.00 0.00 46.19 42.09 2jwx s LEU 138 CO 0.24 -1.54 0.12 0.00 1.01 0.00 0.00 176.35 176.17 2jwx s LEU 140 N 1.92 2.94 -0.43 0.00 0.05 -0.42 0.10 118.68 122.84 2jwx s LEU 140 Ca 0.09 -0.25 -0.18 0.00 0.05 0.00 0.00 54.13 53.84 2jwx s LEU 140 Cb -0.16 -1.69 0.03 0.00 -2.05 0.00 0.00 46.19 42.32 2jwx s LEU 140 CO -0.33 0.16 0.50 -0.70 -0.55 0.00 0.00 176.35 175.43 2jwx s GLU 141 N 0.40 3.13 -0.00 1.48 2.12 -0.92 0.12 118.70 125.03 2jwx s GLU 141 Ca -0.07 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 2jwx s GLU 141 Cb -0.15 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 2jwx s GLU 141 CO 0.04 -0.93 0.11 0.14 -0.54 0.00 0.00 175.26 174.09 2jwx s VAL 142 N 2.32 4.96 -0.27 3.70 -7.23 0.77 -2.49 120.40 122.17 2jwx s VAL 142 Ca 0.14 -0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 2jwx s VAL 142 Cb -0.17 -3.29 0.07 0.00 0.56 0.00 0.00 36.38 33.55 2jwx s VAL 142 CO 0.14 0.34 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.33 2jwx s THR 143 N -1.24 1.87 -0.33 5.32 2.01 0.12 -1.62 115.64 121.76 2jwx s THR 143 Ca 0.24 -1.59 -0.25 0.00 0.31 0.00 0.00 61.69 60.41 2jwx s THR 143 Cb -0.12 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.26 2jwx s THR 143 CO 0.16 -0.19 0.85 -0.22 -0.69 0.00 0.00 174.62 174.52 2jwx s LEU 144 N 1.21 4.06 -0.07 4.42 0.20 -1.06 -0.14 118.68 127.29 2jwx s LEU 144 Ca -0.03 0.64 0.11 0.00 0.69 0.00 0.00 54.13 55.54 2jwx s LEU 144 Cb -0.19 -3.17 -0.16 0.00 -0.43 0.00 0.00 46.19 42.24 2jwx s LEU 144 CO -0.07 -0.72 0.13 2.29 -0.29 0.00 0.00 176.35 177.70 2jwx n LYS 145 N 6.44 1.42 -3.67 1.98 2.85 -0.91 -0.15 118.16 126.12 2jwx n LYS 145 Ca 0.05 -0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2jwx n LYS 145 Cb 0.48 -1.29 -0.08 0.00 -0.65 0.00 0.00 35.03 33.49 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jwx s THR 146 N -2.51 -0.00 -0.11 0.58 2.01 -1.24 -4.89 115.64 109.48 2jwx s THR 146 Ca -0.05 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2jwx s THR 146 Cb 0.05 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.79 2jwx s THR 146 CO 0.48 0.01 0.22 0.00 -0.69 0.00 0.00 174.62 174.64 2jwx s ALA 147 N 0.87 -0.43 -0.02 7.40 0.00 -1.26 -1.98 121.76 126.34 2jwx s ALA 147 Ca -0.04 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 2jwx s ALA 147 Cb -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2jwx s ALA 147 CO -0.07 -0.49 0.30 0.14 0.00 0.00 0.00 175.76 175.63 2jwx s VAL 148 N 2.06 0.05 -0.14 0.00 -7.23 -1.06 -4.93 120.40 109.15 2jwx s VAL 148 Ca -0.01 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 2jwx s VAL 148 Cb -0.12 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2jwx s VAL 148 CO -0.08 -0.24 1.43 -0.62 -0.31 0.00 0.00 175.10 175.28 2jwx s ASP 149 N -1.16 6.77 -0.00 4.85 2.15 -1.26 0.30 116.67 128.32 2jwx s ASP 149 Ca -0.12 1.83 0.01 0.00 0.43 0.00 0.00 52.55 54.69 2jwx s ASP 149 Cb -0.05 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2jwx s ASP 149 CO 0.04 -0.89 0.67 -0.11 -0.17 0.00 0.00 175.17 174.70 2jwx n LEU 150 N 7.05 0.31 -4.52 -1.34 7.94 -1.16 -4.89 117.00 120.40 2jwx n LEU 150 Ca 0.16 -0.51 -0.42 0.00 -1.11 0.00 0.00 56.01 54.13 2jwx n LEU 150 Cb 0.44 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.35 2jwx n LEU 150 CO 0.59 0.13 1.09 -0.70 -1.11 0.00 0.00 177.39 177.39 2jwx s GLU 151 N -0.21 3.26 -0.29 1.96 -6.30 -1.02 -4.79 118.70 111.30 2jwx s GLU 151 Ca 0.01 -0.65 0.15 0.00 -2.50 0.00 0.00 54.97 51.98 2jwx s GLU 151 Cb 0.01 -4.43 0.48 0.00 0.00 0.00 0.00 34.13 30.19 2jwx s GLU 151 CO 0.00 -2.04 1.13 1.58 0.02 0.00 0.00 175.26 175.95 2jwx n HIS 152 N 8.63 2.04 0.00 5.30 -0.00 -1.26 -5.03 115.22 124.90 2jwx n HIS 152 Ca 0.07 -2.32 0.00 0.00 0.46 0.00 0.00 57.72 55.93 2jwx n HIS 152 Cb 0.48 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 2jwx n HIS 152 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwx n HIS 153 N -0.59 0.00 -1.82 1.57 -0.00 -1.26 -4.87 115.22 108.25 2jwx n HIS 153 Ca 0.25 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 58.00 2jwx n HIS 153 Cb 0.86 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.70 2jwx n HIS 153 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jwx s HIS 154 N 0.00 1.52 -0.69 1.57 -3.43 -1.26 -4.93 115.29 108.07 2jwx s HIS 154 Ca 0.00 0.51 -0.07 0.00 -0.80 0.00 0.00 55.06 54.71 2jwx s HIS 154 Cb 0.00 -4.03 0.18 0.00 -1.43 0.00 0.00 32.58 27.30 2jwx s HIS 154 CO 0.00 -3.61 0.54 -1.58 -2.00 0.00 0.00 174.74 168.09 2jwx s HIS 155 N 7.20 3.52 0.31 0.38 2.46 -1.26 -5.06 115.29 122.84 2jwx s HIS 155 Ca 0.89 -2.46 0.08 0.00 0.47 0.00 0.00 55.06 54.04 2jwx s HIS 155 Cb -0.29 -3.41 -0.03 0.00 -0.13 0.00 0.00 32.58 28.72 2jwx s HIS 155 CO 0.34 -0.89 0.21 -1.01 -2.47 0.00 0.00 174.74 170.92 2jwx s HIS 156 N 0.05 2.90 -1.75 3.88 3.76 -1.26 -5.26 115.29 117.61 2jwx s HIS 156 Ca 0.17 -0.26 0.14 0.00 -0.15 0.00 0.00 55.06 54.96 2jwx s HIS 156 Cb -0.17 -1.62 0.11 0.00 1.11 0.00 0.00 32.58 32.01 2jwx s HIS 156 CO -0.05 0.34 0.94 1.58 -0.85 0.00 0.00 174.74 176.70