#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 1.02 2.84 3.03 0.00 -1.26 -4.95 105.19 105.87 2jwx n GLY 2 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.02 1.88 0.08 1.61 1.11 -1.26 -4.95 119.66 115.11 2jwx s GLN 3 Ca 0.00 -2.65 -0.24 0.00 0.01 0.00 0.00 55.36 52.48 2jwx s GLN 3 Cb 0.00 -2.99 -0.16 0.00 -1.01 0.00 0.00 33.01 28.85 2jwx s GLN 3 CO 0.00 -1.19 1.69 -1.35 0.01 0.00 0.00 175.29 174.45 2jwx h PRO 4 N 6.18 -0.08 -6.88 2.91 0.11 -2.08 -3.43 132.00 128.74 2jwx h PRO 4 Ca 0.02 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.67 2jwx h PRO 4 Cb 0.86 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2jwx h PRO 4 CO 0.63 -0.01 0.29 -1.25 -0.21 0.00 0.00 178.00 177.44 2jwx s PRO 5 N -6.02 4.37 -0.44 1.05 0.04 -1.26 -5.05 135.00 127.69 2jwx s PRO 5 Ca -0.14 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.06 2jwx s PRO 5 Cb 0.05 -2.59 0.13 0.00 0.04 0.00 0.00 34.50 32.14 2jwx s PRO 5 CO 0.66 0.19 0.23 0.00 0.04 0.00 0.00 177.00 178.11 2jwx s ALA 6 N -1.81 2.30 0.03 8.56 0.00 -1.26 -5.10 121.76 124.48 2jwx s ALA 6 Ca 0.53 -2.63 -0.26 0.00 0.00 0.00 0.00 51.96 49.60 2jwx s ALA 6 Cb -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 2jwx s ALA 6 CO 0.19 -2.02 0.81 -1.21 0.00 0.00 0.00 175.76 173.53 2jwx s GLU 7 N 0.36 4.53 -0.95 0.00 8.01 -1.26 -4.95 118.70 124.44 2jwx s GLU 7 Ca 0.17 1.14 -0.08 0.00 0.01 0.00 0.00 54.97 56.21 2jwx s GLU 7 Cb -0.24 -3.39 -0.16 0.00 -4.31 0.00 0.00 34.13 26.02 2jwx s GLU 7 CO -0.01 0.19 3.20 -0.85 0.01 0.00 0.00 175.26 177.79 2jwx n GLU 8 N 3.13 2.96 -3.63 1.61 0.28 -1.26 -4.73 120.64 118.99 2jwx n GLU 8 Ca -0.00 -1.69 -0.11 0.00 -0.16 0.00 0.00 57.16 55.20 2jwx n GLU 8 Cb 0.50 -2.46 -0.07 0.00 1.43 0.00 0.00 31.44 30.84 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 1.74 -1.83 0.09 -1.84 0.00 -1.26 -4.86 121.76 113.79 2jwx s ALA 9 Ca 0.68 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.80 2jwx s ALA 9 Cb 0.23 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2jwx s ALA 9 CO -0.03 -0.35 0.00 -1.91 0.00 0.00 0.00 175.76 173.47 2jwx n GLU 10 N 3.25 0.00 0.05 0.00 2.13 -1.10 -4.55 120.64 120.43 2jwx n GLU 10 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2jwx n GLU 10 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2jwx n GLU 10 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jwx n GLN 11 N -2.74 0.00 0.41 5.31 6.02 -1.23 -1.54 117.38 123.61 2jwx n GLN 11 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 2jwx n GLN 11 Cb 0.00 -0.44 -0.09 0.00 1.02 0.00 0.00 30.24 30.73 2jwx n GLN 11 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2jwx h PRO 12 N 0.00 -0.97 0.19 -1.09 0.11 -1.99 -3.30 132.00 124.95 2jwx h PRO 12 Ca 0.00 0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2jwx h PRO 12 Cb 0.00 0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2jwx h PRO 12 CO 0.00 -0.65 -0.09 0.78 -0.21 0.00 0.00 178.00 177.83 2jwx h GLY 13 N -1.01 -0.27 -4.79 -0.55 0.00 -1.92 -3.47 103.07 91.06 2jwx h GLY 13 Ca -0.10 0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 2jwx h GLY 13 CO 0.17 -0.10 -0.46 0.00 0.00 0.00 0.00 176.54 176.15 2jwx s ALA 14 N -3.56 -0.42 -0.72 3.60 0.00 -1.24 -5.03 121.76 114.40 2jwx s ALA 14 Ca -0.04 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 2jwx s ALA 14 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2jwx s ALA 14 CO 0.11 -0.20 1.82 -1.17 0.00 0.00 0.00 175.76 176.32 2jwx s LEU 15 N -1.20 3.25 -0.16 0.00 0.20 -1.26 -2.72 118.68 116.79 2jwx s LEU 15 Ca -0.13 -0.07 0.14 0.00 0.69 0.00 0.00 54.13 54.76 2jwx s LEU 15 Cb -0.07 -2.54 -0.20 0.00 -0.43 0.00 0.00 46.19 42.96 2jwx s LEU 15 CO 0.02 -2.40 0.04 0.00 -0.29 0.00 0.00 176.35 173.72 2jwx n ALA 16 N 12.64 1.60 -1.52 5.97 0.00 -0.59 -4.98 120.51 133.62 2jwx n ALA 16 Ca 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2jwx n ALA 16 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2jwx n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jwx n ARG 17 N -2.63 0.00 0.00 0.00 3.00 -1.21 -5.00 116.66 110.82 2jwx n ARG 17 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.58 2jwx n ARG 17 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.48 2jwx n ARG 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2jwx n GLU 18 N 0.00 0.00 -1.67 -0.14 1.02 -1.26 -4.69 120.64 113.90 2jwx n GLU 18 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2jwx n GLU 18 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2jwx n PHE 19 N -1.01 1.96 -1.08 -0.32 -1.74 -1.13 -3.54 117.46 110.59 2jwx n PHE 19 Ca 0.00 0.59 0.02 0.00 -0.56 0.00 0.00 57.45 57.49 2jwx n PHE 19 Cb 0.00 -2.36 0.03 0.00 1.52 0.00 0.00 39.48 38.66 2jwx n PHE 19 CO 0.00 0.00 0.00 1.47 -0.56 0.00 0.00 176.76 177.67 2jwx n LEU 20 N 0.82 0.85 0.00 5.98 -0.00 -1.05 -4.83 117.00 118.77 2jwx n LEU 20 Ca 0.06 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 2jwx n LEU 20 Cb 0.35 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2jwx n LEU 20 CO 0.61 0.30 0.00 0.00 -0.00 0.00 0.00 177.39 178.31 2jwx n ALA 21 N -0.36 0.00 -2.00 1.47 0.00 -1.26 -4.99 120.51 113.36 2jwx n ALA 21 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2jwx n ALA 21 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.95 4.22 -0.39 0.00 0.00 -1.26 -4.76 121.76 115.62 2jwx s ALA 22 Ca 0.00 -1.70 0.23 0.00 0.00 0.00 0.00 51.96 50.49 2jwx s ALA 22 Cb 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.37 2jwx s ALA 22 CO 0.00 -0.80 1.03 -1.33 0.00 0.00 0.00 175.76 174.66 2jwx n MET 23 N -2.29 0.47 -2.43 0.00 2.81 -1.26 -4.83 117.12 109.60 2jwx n MET 23 Ca 0.11 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.63 2jwx n MET 23 Cb 0.60 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 2jwx n MET 23 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2jwx s GLU 24 N -3.30 4.12 0.14 0.03 2.02 -1.26 -4.99 118.70 115.47 2jwx s GLU 24 Ca 0.01 1.51 -0.27 0.00 0.02 0.00 0.00 54.97 56.24 2jwx s GLU 24 Cb 0.12 -3.80 -0.07 0.00 0.10 0.00 0.00 34.13 30.47 2jwx s GLU 24 CO 0.79 -0.85 0.85 -1.25 0.02 0.00 0.00 175.26 174.82 2jwx s PRO 25 N 3.73 4.65 0.36 0.39 0.05 -1.26 -5.03 135.00 137.88 2jwx s PRO 25 Ca 0.55 1.27 0.06 0.00 0.05 0.00 0.00 61.00 62.94 2jwx s PRO 25 Cb -0.20 -3.31 -0.00 0.00 0.05 0.00 0.00 34.50 31.04 2jwx s PRO 25 CO 0.17 0.42 0.51 -1.21 0.05 0.00 0.00 177.00 176.94 2jwx s GLU 26 N -0.67 3.05 0.04 4.56 2.02 -1.26 -5.13 118.70 121.30 2jwx s GLU 26 Ca 0.40 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 2jwx s GLU 26 Cb -0.23 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.22 2jwx s GLU 26 CO 0.28 -0.04 0.03 -2.30 0.02 0.00 0.00 175.26 173.25 2jwx n PRO 27 N -1.72 -1.47 -1.74 0.39 -0.02 -1.26 -4.96 135.00 124.22 2jwx n PRO 27 Ca 0.02 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 2jwx n PRO 27 Cb 0.58 -0.06 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 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 -3.07 1.83 -0.70 3.55 0.00 -1.26 -4.98 120.51 115.88 2jwx n ALA 28 Ca -0.01 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 2jwx n ALA 28 Cb 0.02 -2.34 0.16 0.00 0.00 0.00 0.00 19.45 17.29 2jwx n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 29 N 0.33 -0.98 -3.21 0.00 -0.04 -1.26 -4.97 135.00 124.88 2jwx n PRO 29 Ca 0.04 -0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 2jwx n PRO 29 Cb 0.38 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.87 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 -4.11 4.57 -2.00 0.55 0.00 -1.26 -4.99 120.51 113.27 2jwx n ALA 30 Ca 0.05 -4.77 -0.28 0.00 0.00 0.00 0.00 53.44 48.44 2jwx n ALA 30 Cb 0.56 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.80 2.49 -0.31 0.00 0.04 -1.26 -4.76 135.00 128.40 2jwx s PRO 31 Ca 0.39 -0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 2jwx s PRO 31 Cb 0.14 -4.90 0.03 0.00 0.04 0.00 0.00 34.50 29.81 2jwx s PRO 31 CO 0.00 -3.33 0.07 0.00 0.04 0.00 0.00 177.00 173.78 2jwx s ALA 32 N 10.29 3.01 -1.02 8.56 0.00 -1.26 -5.03 121.76 136.30 2jwx s ALA 32 Ca 0.72 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 2jwx s ALA 32 Cb -0.09 -2.15 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 2jwx s ALA 32 CO 0.05 -1.12 2.03 -1.25 0.00 0.00 0.00 175.76 175.47 2jwx s PRO 33 N 1.43 2.17 -1.99 0.00 0.04 -1.26 -3.72 135.00 131.67 2jwx s PRO 33 Ca -0.00 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.50 2jwx s PRO 33 Cb -0.18 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2jwx s PRO 33 CO 0.02 -4.11 0.00 0.39 0.04 0.00 0.00 177.00 173.34 2jwx n GLU 34 N 8.52 -1.58 0.00 4.56 4.71 -1.26 -4.84 120.64 130.75 2jwx n GLU 34 Ca 0.43 1.12 0.12 0.00 -0.01 0.00 0.00 57.16 58.82 2jwx n GLU 34 Cb 0.46 -5.65 0.17 0.00 -1.01 0.00 0.00 31.44 25.41 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2jwx n GLU 35 N -2.71 1.81 -1.09 3.49 -0.58 -1.24 -5.07 120.64 115.24 2jwx n GLU 35 Ca -0.23 -1.42 0.11 0.00 -0.42 0.00 0.00 57.16 55.20 2jwx n GLU 35 Cb 0.69 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.65 -2.37 -3.78 -0.32 7.02 -1.26 -4.96 117.44 112.41 2jwx n TRP 36 Ca 0.13 1.29 -0.21 0.00 -1.02 0.00 0.00 57.50 57.69 2jwx n TRP 36 Cb 0.51 -2.16 -0.17 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 -6.10 0.57 -0.76 -0.99 2.96 -0.75 -4.93 118.68 108.68 2jwx s LEU 37 Ca 0.00 -0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 2jwx s LEU 37 Cb 0.00 -0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.40 2jwx s LEU 37 CO 0.00 -0.19 1.39 -0.62 -1.32 0.00 0.00 176.35 175.61 2jwx s ASP 38 N 1.85 6.07 0.12 3.68 -1.08 -1.26 -1.72 116.67 124.32 2jwx s ASP 38 Ca 0.02 -0.49 -0.24 0.00 -0.52 0.00 0.00 52.55 51.32 2jwx s ASP 38 Cb -0.12 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 2jwx s ASP 38 CO -0.04 -1.88 1.65 0.40 0.52 0.00 0.00 175.17 175.82 2jwx h ILE 39 N 6.27 0.50 0.00 4.11 2.04 -0.24 -2.21 117.51 127.98 2jwx h ILE 39 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2jwx h ILE 39 Cb 1.06 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2jwx h ILE 39 CO 1.29 0.00 -1.08 0.18 0.00 0.00 0.00 178.15 178.54 2jwx n LEU 40 N -5.34 0.60 -0.60 1.44 7.99 -1.25 -4.89 117.00 114.95 2jwx n LEU 40 Ca -0.04 0.05 -0.08 0.00 -0.01 0.00 0.00 56.01 55.93 2jwx n LEU 40 Cb 0.25 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.44 2jwx n LEU 40 CO 0.22 0.00 -0.07 0.61 -1.51 0.00 0.00 177.39 176.64 2jwx n GLY 41 N 1.33 0.98 0.11 -0.72 0.00 -0.83 -4.89 105.19 101.18 2jwx n GLY 41 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.38 2jwx n GLY 41 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jwx h ASN 42 N 0.00 0.00 0.00 1.61 -1.07 -1.86 -3.48 115.58 110.78 2jwx h ASN 42 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.21 2jwx h ASN 42 Cb 0.52 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.77 2jwx h ASN 42 CO 0.23 0.48 0.00 0.61 0.07 0.00 0.00 177.43 178.83 2jwx n GLY 43 N 1.31 2.87 0.10 9.14 0.00 -1.26 -4.79 105.19 112.55 2jwx n GLY 43 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.76 -3.97 0.99 7.99 -1.26 -4.78 117.00 116.73 2jwx n LEU 44 Ca 0.00 0.30 -0.31 0.00 -0.01 0.00 0.00 56.01 55.99 2jwx n LEU 44 Cb 0.00 -0.04 -0.15 0.00 -0.11 0.00 0.00 43.42 43.12 2jwx n LEU 44 CO 0.00 -0.13 -0.40 -0.22 -1.51 0.00 0.00 177.39 175.13 2jwx s LEU 45 N -5.31 3.29 -0.02 2.23 1.98 -1.24 -1.69 118.68 117.91 2jwx s LEU 45 Ca -0.02 -1.53 0.01 0.00 -2.89 0.00 0.00 54.13 49.70 2jwx s LEU 45 Cb 0.10 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.62 2jwx s LEU 45 CO 0.81 -0.28 -0.01 -0.13 -1.89 0.00 0.00 176.35 174.85 2jwx s ARG 46 N 1.23 0.22 -0.10 1.98 0.52 0.93 0.58 118.95 124.31 2jwx s ARG 46 Ca -0.00 0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 2jwx s ARG 46 Cb -0.19 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 2jwx s ARG 46 CO -0.09 -0.06 -0.04 0.21 0.02 0.00 0.00 175.30 175.34 2jwx s LYS 47 N 0.59 3.08 -0.13 3.54 2.20 -0.70 0.22 119.74 128.54 2jwx s LYS 47 Ca -0.06 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 2jwx s LYS 47 Cb -0.08 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2jwx s LYS 47 CO -0.01 0.56 -0.21 0.21 -0.36 0.00 0.00 175.35 175.53 2jwx s LYS 48 N -0.50 3.08 -0.85 4.03 2.20 0.49 -1.81 119.74 126.39 2jwx s LYS 48 Ca 0.08 -0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 54.60 2jwx s LYS 48 Cb -0.12 -2.42 0.03 0.00 -1.51 0.00 0.00 37.83 33.80 2jwx s LYS 48 CO 0.02 0.08 1.47 0.95 -0.36 0.00 0.00 175.35 177.51 2jwx s THR 49 N 0.60 3.73 0.00 3.43 -4.23 -1.26 -1.39 115.64 116.52 2jwx s THR 49 Ca -0.12 -0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.06 2jwx s THR 49 Cb -0.16 -4.79 -0.21 0.00 1.34 0.00 0.00 72.50 68.68 2jwx s THR 49 CO 0.03 -1.71 1.14 -0.07 -0.54 0.00 0.00 174.62 173.47 2jwx h LEU 50 N 13.75 0.43 -7.78 4.79 3.38 -1.74 -3.41 115.31 124.73 2jwx h LEU 50 Ca -0.06 -0.70 -0.50 0.00 0.09 0.00 0.00 57.88 56.71 2jwx h LEU 50 Cb 1.04 -0.13 -0.36 0.00 0.09 0.00 0.00 40.66 41.31 2jwx h LEU 50 CO 1.32 1.06 -0.80 -0.69 0.09 0.00 0.00 178.44 179.43 2jwx s VAL 51 N -3.44 0.95 -0.11 1.22 1.01 -0.44 -5.01 120.40 114.58 2jwx s VAL 51 Ca -0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2jwx s VAL 51 Cb 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2jwx s VAL 51 CO 0.79 0.34 0.10 -2.16 0.00 0.00 0.00 175.10 174.17 2jwx s PRO 52 N 1.30 3.32 0.54 2.72 0.04 -1.26 0.00 135.00 141.67 2jwx s PRO 52 Ca -0.03 -0.21 -0.22 0.00 0.04 0.00 0.00 61.00 60.58 2jwx s PRO 52 Cb -0.14 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2jwx s PRO 52 CO -0.03 0.75 1.36 0.20 0.04 0.00 0.00 177.00 179.31 2jwx s GLY 53 N -0.96 2.89 -0.60 0.56 0.00 -1.26 -4.73 107.32 103.21 2jwx s GLY 53 Ca 0.14 1.33 -0.36 0.00 0.00 0.00 0.00 44.72 45.84 2jwx s GLY 53 CO 0.03 1.85 2.35 -1.05 0.00 0.00 0.00 173.10 176.28 2jwx n PRO 54 N -1.01 0.42 -0.45 2.90 -0.02 -1.26 -4.45 135.00 131.14 2jwx n PRO 54 Ca 0.10 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.47 2jwx n PRO 54 Cb 0.45 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 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 8.16 0.00 0.00 0.52 -0.02 -1.26 -1.10 135.00 141.30 2jwx n PRO 55 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2jwx n PRO 55 Cb 0.12 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 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 2.51 2.27 5.51 -1.23 0.00 -1.26 -4.54 105.19 108.45 2jwx n GLY 56 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.26 0.00 -3.64 1.61 7.64 -0.26 -2.85 113.62 117.37 2jwx n SER 57 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2jwx n SER 57 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2jwx n SER 57 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jwx s SER 58 N -4.00 -1.01 -0.55 6.43 0.15 -1.26 -2.52 113.70 110.93 2jwx s SER 58 Ca 0.00 1.54 -0.08 0.00 0.70 0.00 0.00 55.95 58.10 2jwx s SER 58 Cb 0.00 1.69 0.14 0.00 -1.71 0.00 0.00 66.02 66.14 2jwx s SER 58 CO 0.00 -0.23 0.42 -0.13 1.20 0.00 0.00 173.24 174.50 2jwx s ARG 59 N 2.05 2.65 -0.08 5.44 1.81 -1.25 -0.92 118.95 128.64 2jwx s ARG 59 Ca -0.09 -2.03 -0.30 0.00 -1.72 0.00 0.00 55.73 51.60 2jwx s ARG 59 Cb -0.07 -3.95 -0.04 0.00 -0.45 0.00 0.00 34.95 30.43 2jwx s ARG 59 CO -0.20 -1.20 1.51 -1.25 -0.68 0.00 0.00 175.30 173.48 2jwx s PRO 60 N 0.88 4.21 0.14 3.54 0.04 -1.26 -4.61 135.00 137.94 2jwx s PRO 60 Ca 0.10 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 2jwx s PRO 60 Cb -0.23 -3.88 -0.07 0.00 0.04 0.00 0.00 34.50 30.36 2jwx s PRO 60 CO -0.03 -0.78 0.67 0.08 0.04 0.00 0.00 177.00 176.98 2jwx s VAL 61 N 3.72 4.58 -0.92 -0.36 1.01 -1.26 -3.85 120.40 123.32 2jwx s VAL 61 Ca 0.67 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.76 2jwx s VAL 61 Cb -0.29 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 2jwx s VAL 61 CO 0.25 0.47 2.44 0.29 0.00 0.00 0.00 175.10 178.55 2jwx n LYS 62 N 1.45 0.00 0.00 2.72 4.01 -1.26 -0.61 118.16 124.47 2jwx n LYS 62 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2jwx n LYS 62 Cb 0.50 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 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 5.91 0.12 3.72 0.72 0.00 0.27 -4.73 105.19 111.20 2jwx n GLY 63 Ca 0.61 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.37 1.61 -1.52 0.22 -1.77 119.66 122.23 2jwx s GLN 64 Ca 0.00 0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 53.82 2jwx s GLN 64 Cb 0.00 -3.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 2jwx s GLN 64 CO 0.00 0.11 1.42 0.54 -0.25 0.00 0.00 175.29 177.12 2jwx s VAL 65 N 0.69 3.92 -0.14 1.09 0.11 0.16 -2.27 120.40 123.95 2jwx s VAL 65 Ca 0.32 0.97 -0.02 0.00 -2.93 0.00 0.00 61.98 60.33 2jwx s VAL 65 Cb -0.17 -4.13 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 2jwx s VAL 65 CO 0.15 -0.65 -0.09 0.68 -3.33 0.00 0.00 175.10 171.86 2jwx s VAL 66 N 5.26 3.42 -0.34 2.04 -7.23 -0.95 -2.40 120.40 120.20 2jwx s VAL 66 Ca 0.62 -0.53 -0.22 0.00 -1.81 0.00 0.00 61.98 60.04 2jwx s VAL 66 Cb -0.15 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2jwx s VAL 66 CO 0.30 0.51 0.71 0.42 -0.31 0.00 0.00 175.10 176.73 2jwx s THR 67 N 0.35 4.83 0.53 5.32 -4.23 -0.79 -2.33 115.64 119.32 2jwx s THR 67 Ca -0.08 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 2jwx s THR 67 Cb -0.15 -4.12 0.04 0.00 1.34 0.00 0.00 72.50 69.61 2jwx s THR 67 CO 0.04 -0.31 0.50 0.68 -0.54 0.00 0.00 174.62 174.99 2jwx s VAL 68 N 2.87 1.98 -0.15 2.29 -7.23 0.50 -1.72 120.40 118.94 2jwx s VAL 68 Ca 0.28 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2jwx s VAL 68 Cb -0.14 -2.31 0.05 0.00 0.56 0.00 0.00 36.38 34.53 2jwx s VAL 68 CO 0.15 0.00 0.01 -2.28 -0.31 0.00 0.00 175.10 172.66 2jwx s HIS 69 N -2.68 1.07 -0.10 2.82 2.46 0.49 0.65 115.29 120.00 2jwx s HIS 69 Ca 0.44 -0.70 0.04 0.00 0.47 0.00 0.00 55.06 55.31 2jwx s HIS 69 Cb -0.03 -1.02 0.00 0.00 -0.13 0.00 0.00 32.58 31.39 2jwx s HIS 69 CO 0.27 -0.53 -0.23 -0.48 -2.47 0.00 0.00 174.74 171.30 2jwx s LEU 70 N 1.84 2.06 -0.28 8.88 0.05 -0.72 -0.21 118.68 130.30 2jwx s LEU 70 Ca 0.01 -0.54 0.02 0.00 0.05 0.00 0.00 54.13 53.67 2jwx s LEU 70 Cb -0.15 -1.37 0.06 0.00 -2.05 0.00 0.00 46.19 42.68 2jwx s LEU 70 CO -0.07 0.15 -0.06 -1.10 -0.55 0.00 0.00 176.35 174.72 2jwx s GLN 71 N 0.35 2.24 -0.11 1.48 1.11 -0.85 0.72 119.66 124.60 2jwx s GLN 71 Ca -0.18 -1.38 -0.13 0.00 0.01 0.00 0.00 55.36 53.68 2jwx s GLN 71 Cb -0.18 -3.02 -0.05 0.00 -1.01 0.00 0.00 33.01 28.76 2jwx s GLN 71 CO 0.09 -0.62 0.30 0.99 0.01 0.00 0.00 175.29 176.05 2jwx s THR 72 N 1.13 5.27 -0.03 -0.19 2.01 0.85 -2.55 115.64 122.14 2jwx s THR 72 Ca -0.06 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.52 2jwx s THR 72 Cb -0.20 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2jwx s THR 72 CO -0.04 0.49 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.90 2jwx s SER 73 N -0.27 4.86 1.02 3.53 0.01 0.68 -0.41 113.70 123.13 2jwx s SER 73 Ca 0.18 -0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.29 2jwx s SER 73 Cb -0.14 -1.23 0.20 0.00 0.21 0.00 0.00 66.02 65.06 2jwx s SER 73 CO 0.07 0.31 1.08 -0.22 0.41 0.00 0.00 173.24 174.88 2jwx s LEU 74 N -1.26 1.62 0.54 2.44 1.98 0.20 -0.29 118.68 123.91 2jwx s LEU 74 Ca 0.16 1.44 0.24 0.00 -2.89 0.00 0.00 54.13 53.09 2jwx s LEU 74 Cb -0.11 -3.61 1.42 0.00 0.66 0.00 0.00 46.19 44.54 2jwx s LEU 74 CO 0.06 -3.35 2.04 1.05 -1.89 0.00 0.00 176.35 174.27 2jwx h GLU 75 N -2.04 0.00 0.00 1.98 4.11 -1.61 0.60 114.58 117.63 2jwx h GLU 75 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.88 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 0.53 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.70 2jwx n ASN 76 N -4.29 0.00 0.00 3.06 5.03 -1.26 -4.84 115.26 112.96 2jwx n ASN 76 Ca 0.06 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.52 2jwx n ASN 76 Cb 0.45 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jwx n GLY 77 N 0.29 1.23 3.59 7.41 0.00 0.21 -5.00 105.19 112.93 2jwx n GLY 77 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.02 4.26 -0.20 2.61 2.01 -1.25 -4.56 115.64 115.49 2jwx s THR 78 Ca 0.00 1.15 -0.39 0.00 0.31 0.00 0.00 61.69 62.76 2jwx s THR 78 Cb 0.00 -4.57 -0.15 0.00 0.01 0.00 0.00 72.50 67.79 2jwx s THR 78 CO 0.00 -0.97 1.74 0.54 -0.69 0.00 0.00 174.62 175.24 2jwx n ARG 79 N 7.70 1.38 -0.00 4.92 5.12 -1.26 0.58 116.66 135.11 2jwx n ARG 79 Ca 0.11 0.51 0.06 0.00 -1.93 0.00 0.00 57.85 56.60 2jwx n ARG 79 Cb 0.49 -2.22 -0.09 0.00 -1.16 0.00 0.00 32.46 29.48 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 4.52 0.00 -3.63 1.55 0.24 0.45 -4.88 118.33 116.60 2jwx n VAL 80 Ca 0.25 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 2jwx n VAL 80 Cb 0.17 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.74 0.84 -0.21 7.34 -2.07 -1.20 -4.75 119.66 116.87 2jwx s GLN 81 Ca -0.03 0.96 0.01 0.00 -1.82 0.00 0.00 55.36 54.48 2jwx s GLN 81 Cb 0.08 0.41 0.04 0.00 -1.09 0.00 0.00 33.01 32.45 2jwx s GLN 81 CO 0.51 -0.11 -0.12 -2.00 -1.32 0.00 0.00 175.29 172.25 2jwx s GLU 82 N 0.31 2.25 -0.54 9.60 2.12 -1.26 -0.10 118.70 131.08 2jwx s GLU 82 Ca -0.00 -0.96 -0.10 0.00 0.36 0.00 0.00 54.97 54.27 2jwx s GLU 82 Cb -0.05 -2.55 0.14 0.00 0.26 0.00 0.00 34.13 31.93 2jwx s GLU 82 CO 0.01 -0.42 0.42 -2.00 -0.54 0.00 0.00 175.26 172.73 2jwx s GLU 83 N 1.31 2.67 -1.12 4.30 2.56 0.22 -4.97 118.70 123.67 2jwx s GLU 83 Ca -0.02 -1.94 -0.21 0.00 0.00 0.00 0.00 54.97 52.80 2jwx s GLU 83 Cb -0.17 -4.00 0.04 0.00 2.00 0.00 0.00 34.13 32.01 2jwx s GLU 83 CO -0.08 -1.22 1.61 -1.25 -0.56 0.00 0.00 175.26 173.76 2jwx s PRO 84 N 1.07 3.61 0.00 4.30 0.04 -1.26 -1.75 135.00 141.00 2jwx s PRO 84 Ca 0.08 -1.37 0.00 0.00 0.04 0.00 0.00 61.00 59.75 2jwx s PRO 84 Cb -0.24 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.90 2jwx s PRO 84 CO -0.02 -2.39 0.00 0.39 0.04 0.00 0.00 177.00 175.02 2jwx n GLU 85 N 8.69 0.00 -3.60 4.56 4.71 -1.12 -5.02 120.64 128.87 2jwx n GLU 85 Ca 0.40 0.20 -0.40 0.00 -0.01 0.00 0.00 57.16 57.35 2jwx n GLU 85 Cb 0.49 -0.47 -0.11 0.00 -1.01 0.00 0.00 31.44 30.34 2jwx n GLU 85 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2jwx s LEU 86 N -0.12 4.50 -0.06 -4.62 2.96 0.21 -4.83 118.68 116.72 2jwx s LEU 86 Ca 0.00 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.23 2jwx s LEU 86 Cb 0.00 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 2jwx s LEU 86 CO 0.00 -0.30 -0.22 0.54 -1.32 0.00 0.00 176.35 175.05 2jwx s VAL 87 N 1.61 2.32 0.14 1.68 0.11 -1.24 -0.37 120.40 124.65 2jwx s VAL 87 Ca 0.04 -0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 2jwx s VAL 87 Cb -0.18 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 32.85 2jwx s VAL 87 CO 0.07 0.57 0.50 0.72 -3.33 0.00 0.00 175.10 173.63 2jwx s PHE 88 N -0.26 -0.36 -0.50 1.54 -0.71 -0.98 -4.96 117.98 111.75 2jwx s PHE 88 Ca -0.00 0.09 -0.28 0.00 -1.04 0.00 0.00 56.93 55.70 2jwx s PHE 88 Cb -0.13 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.08 2jwx s PHE 88 CO 0.03 -0.78 1.64 0.99 -1.34 0.00 0.00 175.22 175.76 2jwx s THR 89 N -3.78 3.59 0.49 -4.49 2.01 -1.26 -2.23 115.64 109.97 2jwx s THR 89 Ca 0.02 0.51 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 2jwx s THR 89 Cb 0.00 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2jwx s THR 89 CO -0.12 -0.86 1.30 -0.22 -0.69 0.00 0.00 174.62 174.02 2jwx s LEU 90 N 7.10 3.97 0.00 4.42 2.96 -0.96 -2.66 118.68 133.51 2jwx s LEU 90 Ca 0.64 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 57.17 2jwx s LEU 90 Cb -0.14 -4.18 0.00 0.00 0.50 0.00 0.00 46.19 42.36 2jwx s LEU 90 CO 0.27 -1.23 0.00 0.61 -1.32 0.00 0.00 176.35 174.67 2jwx n GLY 91 N 0.62 2.25 1.09 7.98 0.00 -1.25 0.98 105.19 116.86 2jwx n GLY 91 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 3.24 -3.89 1.61 2.03 -1.09 -4.89 116.55 113.56 2jwx n ASP 92 Ca 0.00 -1.96 -0.30 0.00 0.52 0.00 0.00 54.79 53.05 2jwx n ASP 92 Cb 0.00 -0.28 0.03 0.00 -0.72 0.00 0.00 41.12 40.15 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx n ASP 94 N -2.85 0.68 0.00 0.00 2.03 -1.26 -4.77 116.55 110.38 2jwx n ASP 94 Ca 0.03 0.66 0.00 0.00 0.52 0.00 0.00 54.79 56.00 2jwx n ASP 94 Cb 0.53 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2jwx n ASP 94 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2jwx n VAL 95 N -2.24 0.00 -2.52 5.18 0.24 -1.26 -5.00 118.33 112.72 2jwx n VAL 95 Ca 0.02 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.93 2jwx n VAL 95 Cb 0.24 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.80 3.61 0.53 1.34 -4.36 -1.26 -4.87 121.20 116.99 2jwx s ILE 96 Ca 0.00 1.51 0.22 0.00 -0.26 0.00 0.00 60.65 62.12 2jwx s ILE 96 Cb 0.00 -3.92 0.35 0.00 1.25 0.00 0.00 42.46 40.14 2jwx s ILE 96 CO 0.00 0.28 2.06 -0.61 0.24 0.00 0.00 174.94 176.91 2jwx h GLN 97 N 3.49 0.00 -0.35 0.37 5.75 -1.01 0.11 115.11 123.47 2jwx h GLN 97 Ca -0.47 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.10 2jwx h GLN 97 Cb 1.21 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.69 2jwx h GLN 97 CO 0.66 0.00 -0.11 0.00 -2.65 0.00 0.00 178.83 176.73 2jwx h ALA 98 N 1.84 0.20 0.04 3.38 0.00 -0.72 -1.93 119.26 122.07 2jwx h ALA 98 Ca 0.14 0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 2jwx h ALA 98 Cb 0.58 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jwx h ALA 98 CO -0.00 -0.48 -1.04 1.25 0.00 0.00 0.00 179.25 178.98 2jwx h LEU 99 N -0.03 0.61 -0.98 0.00 5.85 -1.09 -1.03 115.31 118.64 2jwx h LEU 99 Ca 0.17 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 2jwx h LEU 99 Cb 0.29 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2jwx h LEU 99 CO -0.38 1.33 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.88 2jwx h ASP 100 N 0.24 0.24 0.33 1.25 3.58 -1.01 -1.52 116.42 119.52 2jwx h ASP 100 Ca -0.11 -0.10 -0.33 0.00 0.42 0.00 0.00 57.03 56.92 2jwx h ASP 100 Cb 1.69 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.65 2jwx h ASP 100 CO 0.18 0.61 -1.79 -0.07 -2.88 0.00 0.00 179.24 175.29 2jwx h LEU 101 N 0.20 0.26 -0.54 2.28 3.38 -1.42 -3.33 115.31 116.14 2jwx h LEU 101 Ca 0.02 -0.53 -0.16 0.00 0.09 0.00 0.00 57.88 57.30 2jwx h LEU 101 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jwx h LEU 101 CO 0.06 1.47 -0.66 -1.28 0.09 0.00 0.00 178.44 178.12 2jwx h SER 102 N 0.05 0.34 0.31 -0.43 0.87 -0.68 -2.90 113.55 111.12 2jwx h SER 102 Ca -0.34 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2jwx h SER 102 Cb 2.02 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.86 2jwx h SER 102 CO 0.10 0.91 -0.31 0.58 -0.53 0.00 0.00 176.83 177.57 2jwx h VAL 103 N 0.21 0.34 0.00 2.23 2.07 -1.52 0.13 116.25 119.72 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 1.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2jwx h VAL 103 CO 0.11 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.25 2jwx h PRO 104 N -0.66 0.00 -0.00 1.57 0.13 -1.66 0.37 132.00 131.75 2jwx h PRO 104 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2jwx h PRO 104 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2jwx h PRO 104 CO -0.06 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 178.69 2jwx n LEU 105 N -2.91 0.58 -4.73 1.56 4.77 -0.53 -4.72 117.00 111.02 2jwx n LEU 105 Ca -0.02 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 2jwx n LEU 105 Cb 0.09 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2jwx n LEU 105 CO 0.19 0.12 -0.24 0.00 -1.33 0.00 0.00 177.39 176.13 2jwx s MET 106 N -2.76 2.52 0.21 3.23 0.23 0.13 -4.77 119.30 118.09 2jwx s MET 106 Ca 0.18 -1.33 0.05 0.00 -1.03 0.00 0.00 55.69 53.57 2jwx s MET 106 Cb 0.19 -2.30 -0.04 0.00 -1.53 0.00 0.00 34.83 31.15 2jwx s MET 106 CO 0.59 0.31 0.22 -0.51 -2.03 0.00 0.00 175.02 173.60 2jwx s ASP 107 N -3.78 5.80 0.22 -1.18 1.11 -1.26 -4.53 116.67 113.05 2jwx s ASP 107 Ca 0.34 -0.09 -0.31 0.00 0.18 0.00 0.00 52.55 52.68 2jwx s ASP 107 Cb -0.06 -1.58 -0.10 0.00 1.07 0.00 0.00 42.92 42.25 2jwx s ASP 107 CO 0.22 0.00 1.48 -0.69 1.18 0.00 0.00 175.17 177.37 2jwx s VAL 108 N -1.92 2.66 0.00 -1.27 1.01 -0.10 -1.86 120.40 118.91 2jwx s VAL 108 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jwx s VAL 108 Cb -0.09 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2jwx s VAL 108 CO 0.26 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2jwx n GLY 109 N 2.76 0.45 3.88 4.51 0.00 0.11 -4.32 105.19 112.58 2jwx n GLY 109 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.91 3.70 -0.21 1.61 2.12 -0.78 -4.11 118.70 120.12 2jwx s GLU 110 Ca 0.00 0.47 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 2jwx s GLU 110 Cb 0.00 -2.33 0.06 0.00 0.26 0.00 0.00 34.13 32.13 2jwx s GLU 110 CO 0.00 -0.17 0.03 0.99 -0.54 0.00 0.00 175.26 175.57 2jwx s THR 111 N -2.59 0.72 -0.05 -1.70 2.01 0.10 -2.32 115.64 111.80 2jwx s THR 111 Ca 0.51 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2jwx s THR 111 Cb -0.10 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2jwx s THR 111 CO 0.38 -0.24 -0.20 0.00 -0.69 0.00 0.00 174.62 173.87 2jwx s ALA 112 N 1.76 1.75 -0.31 7.40 0.00 -0.65 -1.32 121.76 130.38 2jwx s ALA 112 Ca -0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2jwx s ALA 112 Cb -0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2jwx s ALA 112 CO -0.09 0.32 0.43 1.41 0.00 0.00 0.00 175.76 177.82 2jwx s MET 113 N 0.00 3.80 -0.21 0.00 -2.45 -0.49 -0.18 119.30 119.77 2jwx s MET 113 Ca -0.05 -0.10 -0.02 0.00 -1.25 0.00 0.00 55.69 54.28 2jwx s MET 113 Cb -0.13 -3.74 -0.00 0.00 1.25 0.00 0.00 34.83 32.22 2jwx s MET 113 CO 0.03 -0.45 -0.09 0.08 1.05 0.00 0.00 175.02 175.64 2jwx s VAL 114 N 2.18 2.97 -0.40 10.11 1.01 0.67 -0.38 120.40 136.56 2jwx s VAL 114 Ca 0.16 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2jwx s VAL 114 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2jwx s VAL 114 CO 0.11 0.46 0.67 0.42 0.00 0.00 0.00 175.10 176.76 2jwx s THR 115 N 1.39 4.82 -0.03 3.92 -4.23 0.13 -0.20 115.64 121.44 2jwx s THR 115 Ca 0.05 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 2jwx s THR 115 Cb -0.14 -4.17 0.02 0.00 1.34 0.00 0.00 72.50 69.55 2jwx s THR 115 CO -0.06 -0.50 -0.04 0.00 -0.54 0.00 0.00 174.62 173.49 2jwx s ALA 116 N 2.87 0.55 0.82 3.99 0.00 -0.48 -0.05 121.76 129.47 2jwx s ALA 116 Ca 0.25 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 2jwx s ALA 116 Cb -0.14 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.68 2jwx s ALA 116 CO 0.18 0.00 0.88 -3.47 0.00 0.00 0.00 175.76 173.34 2jwx n ASP 117 N 3.89 -0.18 0.24 0.00 -0.08 -0.68 0.04 116.55 119.78 2jwx n ASP 117 Ca -0.24 0.53 0.09 0.00 -1.51 0.00 0.00 54.79 53.65 2jwx n ASP 117 Cb 0.52 -1.38 0.61 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.97 0.00 0.07 1.67 0.87 -1.37 0.49 113.55 114.32 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 0.42 0.17 -0.01 0.07 -0.53 0.00 0.00 176.83 176.95 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.85 1.62 116.57 120.65 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 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2jwx h LYS 119 CO 0.02 0.01 -0.17 0.66 -2.00 0.00 0.00 179.45 177.96 2jwx n TYR 120 N -3.31 0.00 0.00 0.07 4.02 0.14 -4.75 117.16 113.34 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 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.64 0.00 0.26 0.00 4.01 0.29 -4.61 117.16 115.47 2jwx n TYR 122 Ca 0.00 -0.04 -0.16 0.00 -0.16 0.00 0.00 57.90 57.54 2jwx n TYR 122 Cb 0.00 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.90 -2.27 2.72 0.00 0.17 0.19 103.07 102.99 2jwx h GLY 123 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2jwx h GLY 123 CO 0.00 -0.32 0.00 -1.55 0.00 0.00 0.00 176.54 174.67 2jwx n PRO 124 N -5.48 2.48 -0.04 4.80 -0.04 -1.26 -4.53 135.00 130.93 2jwx n PRO 124 Ca -0.11 -2.26 -0.07 0.00 -0.04 0.00 0.00 63.50 61.03 2jwx n PRO 124 Cb 0.38 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.41 0.16 -0.50 0.54 6.02 -1.07 -5.14 117.38 118.79 2jwx n GLN 125 Ca 0.20 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2jwx n GLN 125 Cb 0.58 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.93 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 2.78 -3.46 3.96 1.08 0.00 0.65 -4.99 105.19 105.22 2jwx n GLY 126 Ca -0.13 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.66 5.64 0.08 1.61 0.15 -0.41 -4.85 113.70 113.25 2jwx s SER 127 Ca 0.00 0.13 -0.31 0.00 0.70 0.00 0.00 55.95 56.47 2jwx s SER 127 Cb 0.00 -1.25 -0.17 0.00 -1.71 0.00 0.00 66.02 62.89 2jwx s SER 127 CO 0.00 -0.84 1.64 0.08 1.20 0.00 0.00 173.24 175.32 2jwx h ARG 128 N 0.32 -0.71 0.00 5.44 0.11 -2.00 -3.37 114.38 114.18 2jwx h ARG 128 Ca -0.44 0.05 -0.06 0.00 0.10 0.00 0.00 59.98 59.63 2jwx h ARG 128 Cb 1.27 0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.50 2jwx h ARG 128 CO 0.55 -0.47 -0.57 0.77 0.10 0.00 0.00 179.97 180.35 2jwx h SER 129 N -0.74 0.00 -2.70 0.08 0.02 -1.95 -3.47 113.55 104.79 2jwx h SER 129 Ca -0.06 -0.20 -0.57 0.00 -0.84 0.00 0.00 61.79 60.12 2jwx h SER 129 Cb 0.59 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 2jwx h SER 129 CO 0.08 0.91 -0.51 -2.16 -1.14 0.00 0.00 176.83 174.01 2jwx s PRO 130 N -2.15 3.24 -0.44 3.45 0.05 -1.26 -5.06 135.00 132.83 2jwx s PRO 130 Ca -0.16 -0.66 -0.21 0.00 0.05 0.00 0.00 61.00 60.02 2jwx s PRO 130 Cb 0.02 -2.86 0.03 0.00 0.05 0.00 0.00 34.50 31.73 2jwx s PRO 130 CO 0.31 0.53 0.66 -0.47 0.05 0.00 0.00 177.00 178.08 2jwx s TYR 131 N -1.68 3.05 -0.34 0.56 5.04 -1.26 -1.29 117.35 121.43 2jwx s TYR 131 Ca 0.33 -0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.63 2jwx s TYR 131 Cb -0.11 -3.40 -0.00 0.00 0.35 0.00 0.00 41.96 38.80 2jwx s TYR 131 CO 0.26 -0.89 1.44 0.42 -1.34 0.00 0.00 175.55 175.44 2jwx s ILE 132 N 2.88 3.91 -0.58 3.14 -1.09 -1.26 -4.81 121.20 123.39 2jwx s ILE 132 Ca 0.23 0.98 -0.32 0.00 -2.23 0.00 0.00 60.65 59.31 2jwx s ILE 132 Cb -0.14 -4.06 -0.17 0.00 -1.58 0.00 0.00 42.46 36.51 2jwx s ILE 132 CO 0.19 -0.56 1.97 -2.65 -1.23 0.00 0.00 174.94 172.66 2jwx n PRO 133 N 7.79 0.00 -1.57 2.79 -0.01 -1.26 -4.28 135.00 138.46 2jwx n PRO 133 Ca 0.17 0.00 -0.52 0.00 -0.01 0.00 0.00 63.50 63.14 2jwx n PRO 133 Cb 0.47 -1.25 -0.05 0.00 -0.01 0.00 0.00 33.50 32.65 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2jwx n PRO 134 N 6.60 1.01 -0.48 0.52 -0.04 -1.26 0.06 135.00 141.41 2jwx n PRO 134 Ca 0.50 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2jwx n PRO 134 Cb -0.01 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.01 0.00 -1.91 0.54 -0.00 -1.26 -4.92 115.22 109.67 2jwx n HIS 135 Ca 0.17 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.93 2jwx n HIS 135 Cb 0.20 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.04 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jwx s ALA 136 N -3.18 3.45 -0.36 1.57 0.00 0.11 -4.17 121.76 119.18 2jwx s ALA 136 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 2jwx s ALA 136 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2jwx s ALA 136 CO 0.00 -1.69 1.36 0.00 0.00 0.00 0.00 175.76 175.43 2jwx s ALA 137 N 4.79 3.20 0.72 0.00 0.00 -1.26 -1.33 121.76 127.89 2jwx s ALA 137 Ca 0.79 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 2jwx s ALA 137 Cb -0.34 -3.86 0.02 0.00 0.00 0.00 0.00 23.12 18.95 2jwx s ALA 137 CO 0.33 -2.09 1.09 -0.51 0.00 0.00 0.00 175.76 174.57 2jwx s LEU 138 N 4.92 2.86 -0.28 0.00 1.43 0.11 -1.58 118.68 126.13 2jwx s LEU 138 Ca 0.59 1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2jwx s LEU 138 Cb -0.15 -4.02 0.09 0.00 0.03 0.00 0.00 46.19 42.14 2jwx s LEU 138 CO 0.28 -1.48 0.11 0.00 0.23 0.00 0.00 176.35 175.49 2jwx s LEU 140 N 1.97 2.77 -0.42 0.00 2.34 0.72 -0.23 118.68 125.84 2jwx s LEU 140 Ca 0.08 -0.38 -0.23 0.00 0.06 0.00 0.00 54.13 53.66 2jwx s LEU 140 Cb -0.16 -1.67 0.02 0.00 -0.56 0.00 0.00 46.19 43.82 2jwx s LEU 140 CO -0.30 0.07 0.79 -0.70 -1.06 0.00 0.00 176.35 175.15 2jwx s GLU 141 N 0.95 3.53 -0.01 1.48 2.12 -1.06 -0.24 118.70 125.47 2jwx s GLU 141 Ca -0.01 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 2jwx s GLU 141 Cb -0.15 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 2jwx s GLU 141 CO -0.00 -1.04 0.13 0.14 -0.54 0.00 0.00 175.26 173.95 2jwx s VAL 142 N 3.26 5.07 -0.29 3.70 -7.23 0.75 -2.01 120.40 123.64 2jwx s VAL 142 Ca 0.31 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 2jwx s VAL 142 Cb -0.12 -3.34 0.08 0.00 0.56 0.00 0.00 36.38 33.55 2jwx s VAL 142 CO 0.21 0.34 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.42 2jwx s THR 143 N -1.26 2.09 -0.24 5.32 2.01 0.71 -1.64 115.64 122.63 2jwx s THR 143 Ca 0.25 -1.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.13 2jwx s THR 143 Cb -0.12 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 2jwx s THR 143 CO 0.16 -0.29 0.84 -0.22 -0.69 0.00 0.00 174.62 174.42 2jwx s LEU 144 N 1.07 4.09 -0.00 4.42 0.20 -0.98 -0.38 118.68 127.09 2jwx s LEU 144 Ca 0.00 1.06 0.02 0.00 0.69 0.00 0.00 54.13 55.90 2jwx s LEU 144 Cb -0.19 -3.21 -0.03 0.00 -0.43 0.00 0.00 46.19 42.32 2jwx s LEU 144 CO -0.07 -0.52 0.04 2.29 -0.29 0.00 0.00 176.35 177.80 2jwx n LYS 145 N 5.99 0.46 -3.66 1.98 2.85 -0.70 0.09 118.16 125.18 2jwx n LYS 145 Ca 0.06 -0.02 -0.11 0.00 -1.05 0.00 0.00 58.31 57.19 2jwx n LYS 145 Cb 0.47 -1.01 -0.08 0.00 -0.65 0.00 0.00 35.03 33.76 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 -2.07 -0.00 -0.10 0.58 2.01 -1.21 -4.85 115.64 110.00 2jwx s THR 146 Ca -0.01 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2jwx s THR 146 Cb 0.01 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.68 2jwx s THR 146 CO 0.08 0.00 0.21 0.00 -0.69 0.00 0.00 174.62 174.22 2jwx s ALA 147 N 0.82 -0.36 -0.02 7.40 0.00 -1.26 -1.88 121.76 126.47 2jwx s ALA 147 Ca -0.04 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 2jwx s ALA 147 Cb -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.26 2jwx s ALA 147 CO -0.07 -0.49 0.07 0.08 0.00 0.00 0.00 175.76 175.35 2jwx s VAL 148 N 2.06 0.01 -0.15 0.00 1.01 -1.01 -4.70 120.40 117.62 2jwx s VAL 148 Ca -0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2jwx s VAL 148 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 2jwx s VAL 148 CO -0.07 -0.04 1.48 -0.62 0.00 0.00 0.00 175.10 175.84 2jwx s ASP 149 N -0.09 6.71 0.00 3.32 2.15 -1.26 0.37 116.67 127.86 2jwx s ASP 149 Ca -0.01 1.83 0.00 0.00 0.43 0.00 0.00 52.55 54.80 2jwx s ASP 149 Cb -0.01 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2jwx s ASP 149 CO 0.00 -0.94 0.57 0.00 -0.17 0.00 0.00 175.17 174.62 2jwx n LEU 150 N 7.25 0.34 -4.81 -1.34 -0.00 -0.94 -4.90 117.00 112.60 2jwx n LEU 150 Ca 0.16 -0.34 -0.31 0.00 -0.00 0.00 0.00 56.01 55.52 2jwx n LEU 150 Cb 0.44 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.92 2jwx n LEU 150 CO 0.60 0.09 0.71 -0.70 -0.00 0.00 0.00 177.39 178.09 2jwx s GLU 151 N -0.17 2.83 0.33 1.47 -6.30 -0.73 -4.82 118.70 111.32 2jwx s GLU 151 Ca 0.00 0.98 0.00 0.00 -2.50 0.00 0.00 54.97 53.45 2jwx s GLU 151 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 34.13 32.15 2jwx s GLU 151 CO 0.00 -1.18 0.00 0.72 0.02 0.00 0.00 175.26 174.82 2jwx n HIS 152 N -3.19 -2.29 -0.79 5.30 8.25 -1.26 -4.82 115.22 116.42 2jwx n HIS 152 Ca 0.08 1.24 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 2jwx n HIS 152 Cb 0.53 -2.08 0.00 0.00 1.12 0.00 0.00 29.99 29.56 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 -3.50 0.00 -5.20 4.41 -0.00 -1.26 -4.93 115.22 104.74 2jwx n HIS 153 Ca -0.04 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.83 2jwx n HIS 153 Cb 0.41 -1.11 -0.15 0.00 -0.12 0.00 0.00 29.99 29.01 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 -1.77 2.36 -0.36 1.57 -3.43 -1.26 -5.11 115.29 107.29 2jwx s HIS 154 Ca 0.00 -0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 53.83 2jwx s HIS 154 Cb 0.00 -1.49 0.08 0.00 -1.43 0.00 0.00 32.58 29.74 2jwx s HIS 154 CO 0.00 0.01 0.11 -1.58 -2.00 0.00 0.00 174.74 171.28 2jwx s HIS 155 N -0.66 3.47 0.42 0.38 2.46 -1.26 -5.09 115.29 115.00 2jwx s HIS 155 Ca 0.11 -2.21 0.07 0.00 0.47 0.00 0.00 55.06 53.49 2jwx s HIS 155 Cb -0.10 -2.73 -0.03 0.00 -0.13 0.00 0.00 32.58 29.59 2jwx s HIS 155 CO -0.00 -0.90 0.29 -3.38 -2.47 0.00 0.00 174.74 168.29 2jwx s HIS 156 N 1.17 2.64 -2.78 3.88 -3.43 -1.26 -5.28 115.29 110.24 2jwx s HIS 156 Ca 0.03 -0.54 0.26 0.00 -0.80 0.00 0.00 55.06 54.00 2jwx s HIS 156 Cb -0.21 -2.08 0.57 0.00 -1.43 0.00 0.00 32.58 29.44 2jwx s HIS 156 CO -0.03 0.00 1.48 0.72 -2.00 0.00 0.00 174.74 174.91