#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 1.57 -0.12 3.03 0.00 -1.26 -4.81 107.32 105.73 2jwx s GLY 2 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 2jwx s GLY 2 CO 0.00 -0.28 0.09 -0.18 0.00 0.00 0.00 173.10 172.73 2jwx n GLN 3 N -2.48 -2.23 -2.17 2.90 7.27 -1.26 -5.02 117.38 114.39 2jwx n GLN 3 Ca 0.03 1.94 -0.33 0.00 0.07 0.00 0.00 57.00 58.71 2jwx n GLN 3 Cb 0.56 -3.20 -0.00 0.00 2.41 0.00 0.00 30.24 30.00 2jwx n GLN 3 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2jwx s PRO 4 N -0.84 3.44 0.69 3.69 0.02 -1.26 -5.04 135.00 135.71 2jwx s PRO 4 Ca -0.10 1.25 -0.15 0.00 0.02 0.00 0.00 61.00 62.02 2jwx s PRO 4 Cb 0.01 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.50 2jwx s PRO 4 CO 0.42 -0.72 1.14 -2.14 -0.33 0.00 0.00 177.00 175.37 2jwx s PRO 5 N -3.87 2.52 -0.10 5.54 0.02 -1.26 -4.99 135.00 132.86 2jwx s PRO 5 Ca 0.65 1.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 2jwx s PRO 5 Cb -0.16 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.31 2jwx s PRO 5 CO 0.33 -1.49 0.51 0.00 -0.33 0.00 0.00 177.00 176.02 2jwx h ALA 6 N -0.18 -0.06 -1.96 -1.55 0.00 -2.05 -3.41 119.26 110.04 2jwx h ALA 6 Ca -0.47 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 53.61 2jwx h ALA 6 Cb 1.26 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2jwx h ALA 6 CO 0.52 -0.08 0.73 -1.21 0.00 0.00 0.00 179.25 179.21 2jwx s GLU 7 N -2.28 3.88 0.05 0.00 8.01 -1.26 -4.96 118.70 122.15 2jwx s GLU 7 Ca -0.10 0.71 -0.30 0.00 0.01 0.00 0.00 54.97 55.29 2jwx s GLU 7 Cb -0.01 -3.80 -0.16 0.00 -4.31 0.00 0.00 34.13 25.85 2jwx s GLU 7 CO 0.38 -1.01 1.45 0.93 0.01 0.00 0.00 175.26 177.02 2jwx h GLU 8 N 8.50 -0.97 -2.68 1.61 4.39 -1.95 -3.41 114.58 120.06 2jwx h GLU 8 Ca -0.22 0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.65 2jwx h GLU 8 Cb 1.07 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 2jwx h GLU 8 CO 1.02 -0.65 0.48 0.00 -1.16 0.00 0.00 179.01 178.70 2jwx s ALA 9 N -5.36 -1.32 0.00 3.43 0.00 -1.26 -2.81 121.76 114.44 2jwx s ALA 9 Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2jwx s ALA 9 Cb 0.02 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2jwx s ALA 9 CO 0.48 -1.04 0.00 -1.91 0.00 0.00 0.00 175.76 173.29 2jwx n GLU 10 N -0.63 0.00 -0.08 0.00 4.07 -1.20 -4.89 120.64 117.91 2jwx n GLU 10 Ca -0.05 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.89 2jwx n GLU 10 Cb 0.60 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.91 2jwx n GLU 10 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2jwx n GLN 11 N -0.55 0.37 -0.31 5.31 6.02 -1.26 -4.66 117.38 122.30 2jwx n GLN 11 Ca 0.00 0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 2jwx n GLN 11 Cb 0.00 -1.17 0.08 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.43 1.19 0.00 -1.09 0.11 -1.98 -3.49 132.00 126.32 2jwx h PRO 12 Ca -0.41 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2jwx h PRO 12 Cb 1.43 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jwx h PRO 12 CO -0.20 0.89 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 2jwx n GLY 13 N -1.07 1.68 2.43 -0.55 0.00 -1.26 -4.90 105.19 101.52 2jwx n GLY 13 Ca 0.08 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx n ALA 14 N 2.98 -0.56 -3.64 4.61 0.00 -1.26 -4.94 120.51 117.71 2jwx n ALA 14 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 2jwx n ALA 14 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 2jwx n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jwx s LEU 15 N -5.77 -0.48 -0.26 0.00 2.96 -1.12 -4.95 118.68 109.05 2jwx s LEU 15 Ca 0.00 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 54.67 2jwx s LEU 15 Cb 0.00 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 2jwx s LEU 15 CO 0.00 -0.16 0.44 0.00 -1.32 0.00 0.00 176.35 175.32 2jwx s ALA 16 N 0.29 3.58 0.08 5.97 0.00 -1.26 -3.21 121.76 127.20 2jwx s ALA 16 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2jwx s ALA 16 Cb -0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2jwx s ALA 16 CO -0.06 -0.68 0.00 -2.13 0.00 0.00 0.00 175.76 172.89 2jwx n ARG 17 N 5.40 0.00 -4.03 0.00 3.00 -1.26 -5.05 116.66 114.72 2jwx n ARG 17 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.53 2jwx n ARG 17 Cb 0.50 -0.35 -0.05 0.00 0.00 0.00 0.00 32.46 32.56 2jwx n ARG 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2jwx s GLU 18 N -2.00 2.28 -0.36 -0.14 1.03 -1.26 -4.88 118.70 113.37 2jwx s GLU 18 Ca 0.00 -1.90 -0.08 0.00 0.03 0.00 0.00 54.97 53.02 2jwx s GLU 18 Cb 0.00 -2.03 0.01 0.00 -0.80 0.00 0.00 34.13 31.31 2jwx s GLU 18 CO 0.00 -0.29 0.27 1.19 -1.33 0.00 0.00 175.26 175.10 2jwx n PHE 19 N -1.44 -3.69 0.00 4.83 3.01 0.78 -4.81 117.46 116.14 2jwx n PHE 19 Ca -0.02 1.57 0.00 0.00 1.01 0.00 0.00 57.45 60.01 2jwx n PHE 19 Cb 0.64 -3.96 0.00 0.00 -0.01 0.00 0.00 39.48 36.16 2jwx n PHE 19 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2jwx n LEU 20 N 0.27 0.00 0.00 4.37 -0.00 -0.39 -4.91 117.00 116.34 2jwx n LEU 20 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.05 2jwx n LEU 20 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2jwx n LEU 20 CO 0.46 0.00 0.04 0.00 -0.00 0.00 0.00 177.39 177.89 2jwx n ALA 21 N -3.00 -0.12 -1.87 1.47 0.00 -1.26 -4.86 120.51 110.87 2jwx n ALA 21 Ca 0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2jwx n ALA 21 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.35 1.90 -0.16 0.00 0.00 -1.26 -4.75 121.76 116.14 2jwx s ALA 22 Ca 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2jwx s ALA 22 Cb -0.00 -4.35 -0.02 0.00 0.00 0.00 0.00 23.12 18.75 2jwx s ALA 22 CO 0.02 -4.23 -0.05 1.41 0.00 0.00 0.00 175.76 172.91 2jwx s MET 23 N 7.51 3.60 0.03 0.00 0.00 -1.26 -5.04 119.30 124.13 2jwx s MET 23 Ca 0.78 -0.55 -0.28 0.00 0.00 0.00 0.00 55.69 55.63 2jwx s MET 23 Cb -0.14 -2.90 -0.17 0.00 0.00 0.00 0.00 34.83 31.63 2jwx s MET 23 CO 0.20 0.17 1.29 0.93 0.00 0.00 0.00 175.02 177.62 2jwx h GLU 24 N 6.92 -0.77 -6.09 4.11 5.08 -2.00 -3.38 114.58 118.45 2jwx h GLU 24 Ca -0.32 0.05 -0.50 0.00 -1.00 0.00 0.00 59.36 57.59 2jwx h GLU 24 Cb 1.19 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.55 2jwx h GLU 24 CO 0.61 -0.46 1.19 -2.14 -1.00 0.00 0.00 179.01 177.21 2jwx s PRO 25 N -5.07 3.06 0.11 2.33 0.02 -1.26 -4.99 135.00 129.20 2jwx s PRO 25 Ca -0.15 -0.31 -0.23 0.00 0.02 0.00 0.00 61.00 60.33 2jwx s PRO 25 Cb 0.02 -4.71 -0.07 0.00 0.02 0.00 0.00 34.50 29.76 2jwx s PRO 25 CO 0.52 -2.51 0.69 -1.21 -0.33 0.00 0.00 177.00 174.15 2jwx s GLU 26 N 6.04 4.41 1.21 5.54 2.02 -1.26 -5.08 118.70 131.59 2jwx s GLU 26 Ca 0.51 0.97 -0.17 0.00 0.02 0.00 0.00 54.97 56.31 2jwx s GLU 26 Cb -0.07 -3.27 0.29 0.00 0.10 0.00 0.00 34.13 31.19 2jwx s GLU 26 CO 0.07 0.56 1.03 -2.14 0.02 0.00 0.00 175.26 174.79 2jwx s PRO 27 N -0.97 -1.30 -0.21 0.39 0.02 -1.26 -5.01 135.00 126.65 2jwx s PRO 27 Ca 0.33 0.38 -0.14 0.00 0.02 0.00 0.00 61.00 61.59 2jwx s PRO 27 Cb -0.21 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 2jwx s PRO 27 CO 0.23 -3.86 0.33 0.00 -0.33 0.00 0.00 177.00 173.37 2jwx s ALA 28 N -2.63 3.57 0.14 -1.55 0.00 -1.26 -4.42 121.76 115.62 2jwx s ALA 28 Ca 0.68 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 2jwx s ALA 28 Cb -0.17 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 2jwx s ALA 28 CO 0.60 -0.28 0.53 -1.25 0.00 0.00 0.00 175.76 175.36 2jwx s PRO 29 N 1.26 3.95 -0.34 0.00 0.04 -1.26 -4.77 135.00 133.89 2jwx s PRO 29 Ca 0.16 0.45 0.10 0.00 0.04 0.00 0.00 61.00 61.75 2jwx s PRO 29 Cb -0.14 -2.93 0.45 0.00 0.04 0.00 0.00 34.50 31.92 2jwx s PRO 29 CO 0.07 0.48 1.13 0.00 0.04 0.00 0.00 177.00 178.72 2jwx n ALA 30 N 0.80 4.52 -2.24 8.56 0.00 -1.26 -5.02 120.51 125.86 2jwx n ALA 30 Ca -0.05 -3.76 -0.19 0.00 0.00 0.00 0.00 53.44 49.43 2jwx n ALA 30 Cb 0.52 -0.54 0.13 0.00 0.00 0.00 0.00 19.45 19.56 2jwx n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 31 N -0.54 -0.48 -2.91 0.00 -0.05 -1.26 -5.05 135.00 124.70 2jwx n PRO 31 Ca 0.33 -2.12 -0.41 0.00 -0.05 0.00 0.00 63.50 61.25 2jwx n PRO 31 Cb 0.83 -0.83 -0.04 0.00 -0.05 0.00 0.00 33.50 33.40 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jwx s ALA 32 N -3.48 3.57 -0.45 0.55 0.00 -1.26 -4.97 121.76 115.72 2jwx s ALA 32 Ca 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 2jwx s ALA 32 Cb -0.03 -3.22 0.22 0.00 0.00 0.00 0.00 23.12 20.09 2jwx s ALA 32 CO 0.41 -0.74 2.24 -0.35 0.00 0.00 0.00 175.76 177.32 2jwx n PRO 33 N 5.50 2.18 -0.58 0.00 -0.04 -1.26 -3.87 135.00 136.93 2jwx n PRO 33 Ca 0.04 -2.19 -0.02 0.00 -0.04 0.00 0.00 63.50 61.29 2jwx n PRO 33 Cb 0.48 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 2jwx n PRO 33 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jwx n GLU 34 N 0.23 0.00 -2.89 0.54 0.28 -1.22 -4.46 120.64 113.13 2jwx n GLU 34 Ca 0.42 -0.32 -0.44 0.00 -0.16 0.00 0.00 57.16 56.67 2jwx n GLU 34 Cb 0.56 0.22 -0.03 0.00 1.43 0.00 0.00 31.44 33.63 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2jwx s GLU 35 N 0.00 3.59 -0.33 3.44 2.02 -1.25 -4.90 118.70 121.27 2jwx s GLU 35 Ca 0.00 -1.68 -0.38 0.00 0.02 0.00 0.00 54.97 52.94 2jwx s GLU 35 Cb 0.00 -4.95 -0.14 0.00 0.10 0.00 0.00 34.13 29.14 2jwx s GLU 35 CO 0.00 -1.82 2.04 0.91 0.02 0.00 0.00 175.26 176.41 2jwx n TRP 36 N 6.82 1.72 -3.23 1.61 7.02 -1.24 -4.32 117.44 125.82 2jwx n TRP 36 Ca 0.24 0.40 -0.41 0.00 -1.02 0.00 0.00 57.50 56.72 2jwx n TRP 36 Cb 0.49 -2.49 -0.08 0.00 -2.42 0.00 0.00 31.31 26.82 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 5.87 4.18 -0.79 -0.99 2.96 0.13 -4.80 118.68 125.23 2jwx s LEU 37 Ca 1.07 0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 54.99 2jwx s LEU 37 Cb -0.99 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2jwx s LEU 37 CO 0.56 -0.38 1.35 -0.62 -1.32 0.00 0.00 176.35 175.94 2jwx s ASP 38 N 1.66 6.17 0.12 3.68 -1.08 -1.26 -0.59 116.67 125.36 2jwx s ASP 38 Ca 0.20 -0.62 -0.25 0.00 -0.52 0.00 0.00 52.55 51.36 2jwx s ASP 38 Cb -0.15 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.68 2jwx s ASP 38 CO 0.11 -1.81 1.65 0.40 0.52 0.00 0.00 175.17 176.04 2jwx h ILE 39 N 6.25 0.51 -0.02 4.11 2.04 -0.69 -1.53 117.51 128.18 2jwx h ILE 39 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2jwx h ILE 39 Cb 1.05 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2jwx h ILE 39 CO 1.31 0.00 -0.19 0.18 0.00 0.00 0.00 178.15 179.45 2jwx n LEU 40 N -5.34 1.79 -1.47 1.44 7.99 -1.26 -4.87 117.00 115.28 2jwx n LEU 40 Ca -0.05 -0.59 -0.19 0.00 -0.01 0.00 0.00 56.01 55.17 2jwx n LEU 40 Cb 0.25 -0.04 -0.08 0.00 -0.11 0.00 0.00 43.42 43.45 2jwx n LEU 40 CO 0.24 0.31 -0.18 0.61 -1.51 0.00 0.00 177.39 176.87 2jwx n GLY 41 N 1.32 1.78 0.12 -0.72 0.00 -0.58 -4.83 105.19 102.28 2jwx n GLY 41 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.00 -1.86 -3.48 115.58 111.86 2jwx h ASN 42 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.92 2jwx h ASN 42 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.62 2jwx h ASN 42 CO 0.56 0.12 0.00 0.61 -0.00 0.00 0.00 177.43 178.72 2jwx n GLY 43 N 1.21 3.22 0.12 9.14 0.00 -1.26 -4.80 105.19 112.82 2jwx n GLY 43 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -7.53 0.99 4.07 -1.92 -3.44 115.31 107.48 2jwx h LEU 44 Ca 0.00 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.34 2jwx h LEU 44 Cb 0.00 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 41.35 2jwx h LEU 44 CO 0.00 0.08 -0.75 -0.22 -1.08 0.00 0.00 178.44 176.47 2jwx s LEU 45 N -5.49 3.31 0.00 1.67 1.98 -1.22 -1.92 118.68 117.01 2jwx s LEU 45 Ca -0.00 -1.67 0.01 0.00 -2.89 0.00 0.00 54.13 49.58 2jwx s LEU 45 Cb 0.09 -1.27 -0.00 0.00 0.66 0.00 0.00 46.19 45.67 2jwx s LEU 45 CO 0.78 -0.34 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.75 2jwx s ARG 46 N 1.27 0.26 -0.15 1.98 0.52 0.11 0.12 118.95 123.06 2jwx s ARG 46 Ca 0.05 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 2jwx s ARG 46 Cb -0.18 -0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.08 2jwx s ARG 46 CO -0.12 0.06 -0.21 0.21 0.02 0.00 0.00 175.30 175.26 2jwx s LYS 47 N -0.23 3.03 -0.11 3.54 2.20 0.24 -0.41 119.74 128.01 2jwx s LYS 47 Ca -0.00 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2jwx s LYS 47 Cb -0.02 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 2jwx s LYS 47 CO -0.00 -0.04 -0.17 0.21 -0.36 0.00 0.00 175.35 174.98 2jwx s LYS 48 N 0.89 3.15 -0.83 4.03 2.20 0.87 0.20 119.74 130.24 2jwx s LYS 48 Ca -0.05 -0.76 -0.26 0.00 -0.36 0.00 0.00 55.97 54.54 2jwx s LYS 48 Cb -0.15 -2.47 0.04 0.00 -1.51 0.00 0.00 37.83 33.73 2jwx s LYS 48 CO -0.03 0.25 1.34 0.95 -0.36 0.00 0.00 175.35 177.49 2jwx s THR 49 N 0.23 3.79 -0.02 3.43 -4.23 -1.26 -0.35 115.64 117.23 2jwx s THR 49 Ca -0.11 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.17 2jwx s THR 49 Cb -0.16 -4.96 -0.20 0.00 1.34 0.00 0.00 72.50 68.52 2jwx s THR 49 CO 0.06 -1.88 1.19 -0.07 -0.54 0.00 0.00 174.62 173.38 2jwx h LEU 50 N 12.98 0.22 -7.77 4.79 3.38 -1.55 -3.24 115.31 124.12 2jwx h LEU 50 Ca -0.12 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.73 2jwx h LEU 50 Cb 1.04 -0.06 -0.36 0.00 0.09 0.00 0.00 40.66 41.36 2jwx h LEU 50 CO 1.33 0.79 -0.80 -0.69 0.09 0.00 0.00 178.44 179.15 2jwx s VAL 51 N -3.79 1.03 -0.09 1.22 1.01 -0.72 -4.90 120.40 114.16 2jwx s VAL 51 Ca -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2jwx s VAL 51 Cb 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2jwx s VAL 51 CO 0.73 0.36 0.06 -2.16 0.00 0.00 0.00 175.10 174.09 2jwx s PRO 52 N 1.43 3.16 0.41 2.72 0.04 -1.26 -0.09 135.00 141.42 2jwx s PRO 52 Ca -0.00 -0.32 -0.27 0.00 0.04 0.00 0.00 61.00 60.46 2jwx s PRO 52 Cb -0.13 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.37 2jwx s PRO 52 CO -0.05 0.72 1.41 0.20 0.04 0.00 0.00 177.00 179.32 2jwx s GLY 53 N -1.06 2.94 0.98 0.56 0.00 -1.26 -4.80 107.32 104.68 2jwx s GLY 53 Ca 0.15 1.43 -0.15 0.00 0.00 0.00 0.00 44.72 46.15 2jwx s GLY 53 CO 0.05 2.06 -0.35 -1.55 0.00 0.00 0.00 173.10 173.31 2jwx n PRO 54 N 0.15 -0.10 0.00 2.90 -0.04 -1.26 -4.68 135.00 131.96 2jwx n PRO 54 Ca 0.03 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2jwx n PRO 54 Cb 0.41 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2jwx n PRO 55 N 0.94 0.00 -0.01 0.54 -0.02 -1.26 -0.95 135.00 134.24 2jwx n PRO 55 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2jwx n PRO 55 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 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 -0.77 -1.87 0.00 -1.23 0.00 -1.26 -5.01 105.19 95.05 2jwx n GLY 56 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.09 0.00 -3.66 1.61 7.64 -0.12 -1.17 113.62 117.83 2jwx n SER 57 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2jwx n SER 57 Cb 0.46 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.00 -0.78 -0.66 6.43 0.01 -1.26 -0.15 113.70 117.28 2jwx s SER 58 Ca 0.00 1.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.51 2jwx s SER 58 Cb 0.00 1.25 0.17 0.00 0.21 0.00 0.00 66.02 67.65 2jwx s SER 58 CO 0.00 -0.22 0.49 -0.13 0.41 0.00 0.00 173.24 173.79 2jwx s ARG 59 N 1.72 2.69 0.35 12.44 1.81 -1.25 -0.83 118.95 135.88 2jwx s ARG 59 Ca -0.09 -2.61 -0.29 0.00 -1.72 0.00 0.00 55.73 51.03 2jwx s ARG 59 Cb -0.07 -3.79 -0.11 0.00 -0.45 0.00 0.00 34.95 30.53 2jwx s ARG 59 CO -0.17 -1.19 1.50 -1.25 -0.68 0.00 0.00 175.30 173.51 2jwx s PRO 60 N -0.19 4.13 0.17 3.54 0.04 -1.26 -4.99 135.00 136.44 2jwx s PRO 60 Ca 0.18 2.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.61 2jwx s PRO 60 Cb -0.19 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 2jwx s PRO 60 CO -0.04 -0.53 0.59 0.14 0.04 0.00 0.00 177.00 177.20 2jwx s VAL 61 N -0.79 4.79 -0.86 -0.36 -7.23 -1.26 -4.29 120.40 110.40 2jwx s VAL 61 Ca 0.55 0.93 -0.31 0.00 -1.81 0.00 0.00 61.98 61.34 2jwx s VAL 61 Cb -0.46 -3.76 -0.19 0.00 0.56 0.00 0.00 36.38 32.53 2jwx s VAL 61 CO 0.58 0.22 2.59 0.29 -0.31 0.00 0.00 175.10 178.47 2jwx n LYS 62 N 0.74 0.20 0.00 4.82 4.01 -1.26 -0.59 118.16 126.08 2jwx n LYS 62 Ca -0.04 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 2jwx n LYS 62 Cb 0.52 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 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 6.51 1.00 3.74 0.72 0.00 0.17 -4.74 105.19 112.59 2jwx n GLY 63 Ca 0.60 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 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 4.58 -0.18 1.61 -1.52 0.24 -1.44 119.66 122.95 2jwx s GLN 64 Ca 0.00 1.22 -0.29 0.00 -1.95 0.00 0.00 55.36 54.34 2jwx s GLN 64 Cb 0.00 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 2jwx s GLN 64 CO 0.00 0.25 1.33 0.14 -0.25 0.00 0.00 175.29 176.76 2jwx s VAL 65 N -0.01 4.15 -0.15 1.09 -7.23 0.92 -2.53 120.40 116.63 2jwx s VAL 65 Ca 0.42 1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 61.94 2jwx s VAL 65 Cb -0.22 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.77 2jwx s VAL 65 CO 0.26 -0.19 -0.10 0.68 -0.31 0.00 0.00 175.10 175.43 2jwx s VAL 66 N 3.80 3.18 -0.43 1.32 -7.23 -1.05 -1.89 120.40 118.11 2jwx s VAL 66 Ca 0.58 -0.60 -0.21 0.00 -1.81 0.00 0.00 61.98 59.94 2jwx s VAL 66 Cb -0.22 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.37 2jwx s VAL 66 CO 0.18 0.50 0.66 -0.89 -0.31 0.00 0.00 175.10 175.25 2jwx s THR 67 N 0.60 4.81 -0.17 5.32 2.01 -0.63 -2.28 115.64 125.31 2jwx s THR 67 Ca -0.06 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2jwx s THR 67 Cb -0.15 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 2jwx s THR 67 CO 0.03 -0.57 -0.11 0.68 -0.69 0.00 0.00 174.62 173.96 2jwx s VAL 68 N 2.86 3.00 -0.42 3.82 -7.23 0.84 -2.31 120.40 120.96 2jwx s VAL 68 Ca 0.24 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.50 2jwx s VAL 68 Cb -0.14 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2jwx s VAL 68 CO 0.19 0.49 0.92 -2.28 -0.31 0.00 0.00 175.10 174.11 2jwx s HIS 69 N 0.86 2.99 -0.08 2.82 2.46 0.35 0.25 115.29 124.94 2jwx s HIS 69 Ca -0.03 0.55 0.04 0.00 0.47 0.00 0.00 55.06 56.08 2jwx s HIS 69 Cb -0.15 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.47 2jwx s HIS 69 CO 0.00 -0.98 -0.21 -0.48 -2.47 0.00 0.00 174.74 170.60 2jwx s LEU 70 N 3.63 1.96 -0.26 8.88 -0.00 -0.38 -0.10 118.68 132.41 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 -0.11 -1.23 0.05 0.00 -0.00 0.00 0.00 46.19 44.90 2jwx s LEU 70 CO 0.23 0.14 -0.10 -1.10 -0.00 0.00 0.00 176.35 175.52 2jwx s GLN 71 N 0.35 2.42 -0.07 1.48 1.11 -0.96 0.43 119.66 124.41 2jwx s GLN 71 Ca -0.15 -1.24 -0.13 0.00 0.01 0.00 0.00 55.36 53.85 2jwx s GLN 71 Cb -0.17 -2.90 -0.05 0.00 -1.01 0.00 0.00 33.01 28.88 2jwx s GLN 71 CO 0.07 -0.52 0.33 0.99 0.01 0.00 0.00 175.29 176.16 2jwx s THR 72 N 1.17 5.21 0.14 -0.19 2.01 0.63 -2.53 115.64 122.09 2jwx s THR 72 Ca -0.06 0.64 0.08 0.00 0.31 0.00 0.00 61.69 62.66 2jwx s THR 72 Cb -0.19 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2jwx s THR 72 CO -0.05 0.53 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.89 2jwx s SER 73 N -0.59 4.46 0.91 3.53 0.01 0.19 0.20 113.70 122.41 2jwx s SER 73 Ca 0.20 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.90 2jwx s SER 73 Cb -0.15 -0.85 0.14 0.00 0.21 0.00 0.00 66.02 65.36 2jwx s SER 73 CO 0.09 0.13 1.11 -0.22 0.41 0.00 0.00 173.24 174.76 2jwx s LEU 74 N -2.58 2.05 0.57 2.44 1.98 0.20 -0.74 118.68 122.60 2jwx s LEU 74 Ca 0.24 1.14 0.25 0.00 -2.89 0.00 0.00 54.13 52.88 2jwx s LEU 74 Cb -0.10 -3.50 1.62 0.00 0.66 0.00 0.00 46.19 44.87 2jwx s LEU 74 CO 0.15 -2.59 2.19 1.05 -1.89 0.00 0.00 176.35 175.26 2jwx h GLU 75 N -1.52 0.00 0.00 1.98 4.11 -1.63 0.46 114.58 117.98 2jwx h GLU 75 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2jwx h GLU 75 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jwx h GLU 75 CO 0.60 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.77 2jwx n ASN 76 N -4.06 0.00 0.00 3.06 3.02 -1.26 -4.88 115.26 111.14 2jwx n ASN 76 Ca -0.02 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2jwx n ASN 76 Cb 0.15 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.71 2.57 3.60 7.41 0.00 0.16 -5.02 105.19 114.62 2jwx n GLY 77 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.51 3.45 -0.27 2.61 2.01 -1.26 -4.41 115.64 115.26 2jwx s THR 78 Ca 0.00 0.45 -0.36 0.00 0.31 0.00 0.00 61.69 62.09 2jwx s THR 78 Cb 0.00 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.78 2jwx s THR 78 CO 0.00 -0.39 2.01 0.54 -0.69 0.00 0.00 174.62 176.09 2jwx n ARG 79 N 8.44 1.34 -0.00 4.92 5.12 -1.26 0.62 116.66 135.84 2jwx n ARG 79 Ca 0.23 0.44 0.08 0.00 -1.93 0.00 0.00 57.85 56.67 2jwx n ARG 79 Cb 0.47 -2.41 -0.11 0.00 -1.16 0.00 0.00 32.46 29.24 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2jwx n VAL 80 N 6.07 0.00 -3.55 1.55 0.24 0.13 -4.90 118.33 117.87 2jwx n VAL 80 Ca 0.33 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 62.20 2jwx n VAL 80 Cb 0.22 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.88 0.94 -0.11 7.34 -2.07 -1.16 -4.75 119.66 116.97 2jwx s GLN 81 Ca -0.01 0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.88 2jwx s GLN 81 Cb 0.11 0.45 0.02 0.00 -1.09 0.00 0.00 33.01 32.50 2jwx s GLN 81 CO 0.67 -0.27 -0.10 -2.00 -1.32 0.00 0.00 175.29 172.28 2jwx s GLU 82 N -0.92 1.71 -0.40 9.60 2.12 -1.26 -0.27 118.70 129.28 2jwx s GLU 82 Ca -0.08 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.91 2jwx s GLU 82 Cb -0.01 -1.65 0.11 0.00 0.26 0.00 0.00 34.13 32.84 2jwx s GLU 82 CO 0.07 -0.21 0.17 -2.00 -0.54 0.00 0.00 175.26 172.75 2jwx s GLU 83 N 1.47 1.86 -1.05 4.30 2.56 0.17 -4.98 118.70 123.03 2jwx s GLU 83 Ca 0.01 -1.90 -0.23 0.00 0.00 0.00 0.00 54.97 52.85 2jwx s GLU 83 Cb -0.13 -3.46 0.01 0.00 2.00 0.00 0.00 34.13 32.55 2jwx s GLU 83 CO -0.06 -1.04 1.68 -2.14 -0.56 0.00 0.00 175.26 173.14 2jwx s PRO 84 N 0.95 3.27 0.00 4.30 0.02 -1.26 -1.25 135.00 141.03 2jwx s PRO 84 Ca 0.10 -1.05 0.00 0.00 0.02 0.00 0.00 61.00 60.07 2jwx s PRO 84 Cb -0.22 -5.30 0.00 0.00 0.02 0.00 0.00 34.50 29.00 2jwx s PRO 84 CO -0.05 -2.70 0.00 0.39 -0.33 0.00 0.00 177.00 174.30 2jwx n GLU 85 N 8.74 0.00 -3.63 5.54 4.71 -1.25 -4.96 120.64 129.78 2jwx n GLU 85 Ca 0.39 0.14 -0.40 0.00 -0.01 0.00 0.00 57.16 57.29 2jwx n GLU 85 Cb 0.49 -0.30 -0.10 0.00 -1.01 0.00 0.00 31.44 30.51 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 -0.02 5.08 -0.17 -4.62 2.96 0.14 -4.78 118.68 117.26 2jwx s LEU 86 Ca 0.00 -1.52 -0.07 0.00 -0.22 0.00 0.00 54.13 52.32 2jwx s LEU 86 Cb 0.00 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2jwx s LEU 86 CO 0.00 -0.52 0.05 0.54 -1.32 0.00 0.00 176.35 175.10 2jwx s VAL 87 N 1.39 4.72 0.20 1.68 0.11 -1.22 -0.11 120.40 127.17 2jwx s VAL 87 Ca 0.03 -0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 2jwx s VAL 87 Cb -0.23 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2jwx s VAL 87 CO 0.01 0.48 0.36 0.72 -3.33 0.00 0.00 175.10 173.35 2jwx s PHE 88 N 0.23 0.39 -0.54 1.54 -0.71 -0.97 -4.92 117.98 113.00 2jwx s PHE 88 Ca 0.03 -0.74 -0.28 0.00 -1.04 0.00 0.00 56.93 54.91 2jwx s PHE 88 Cb -0.12 0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2jwx s PHE 88 CO 0.01 -0.83 1.49 0.99 -1.34 0.00 0.00 175.22 175.54 2jwx s THR 89 N -3.99 3.72 0.33 -4.49 2.01 -1.26 -2.53 115.64 109.43 2jwx s THR 89 Ca 0.20 0.62 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 2jwx s THR 89 Cb 0.02 -4.31 -0.13 0.00 0.01 0.00 0.00 72.50 68.10 2jwx s THR 89 CO 0.04 -1.06 1.27 -0.11 -0.69 0.00 0.00 174.62 174.07 2jwx n LEU 90 N 9.93 3.35 0.00 4.42 7.94 -1.05 -2.60 117.00 138.98 2jwx n LEU 90 Ca 0.14 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 2jwx n LEU 90 Cb 0.49 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.98 2jwx n LEU 90 CO 0.71 -0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 2jwx n GLY 91 N 0.89 0.14 1.27 -3.96 0.00 -1.20 0.44 105.19 102.77 2jwx n GLY 91 Ca 0.06 0.00 0.11 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 -0.62 3.89 -3.73 1.61 2.03 -1.07 -4.90 116.55 113.77 2jwx n ASP 92 Ca 0.00 -2.05 -0.26 0.00 0.52 0.00 0.00 54.79 53.01 2jwx n ASP 92 Cb 0.31 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.30 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx h ASP 94 N -2.29 0.00 -0.19 0.00 1.82 -1.92 -3.45 116.42 110.39 2jwx h ASP 94 Ca -0.58 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 2jwx h ASP 94 Cb 1.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2jwx h ASP 94 CO 0.60 0.00 0.00 1.33 -1.61 0.00 0.00 179.24 179.56 2jwx n VAL 95 N -2.81 0.00 -2.55 2.25 0.24 -1.26 -4.93 118.33 109.27 2jwx n VAL 95 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 2jwx n VAL 95 Cb 0.23 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.60 3.70 0.52 1.34 -4.36 -1.26 -4.84 121.20 116.90 2jwx s ILE 96 Ca 0.00 1.47 0.22 0.00 -0.26 0.00 0.00 60.65 62.09 2jwx s ILE 96 Cb 0.00 -3.85 0.36 0.00 1.25 0.00 0.00 42.46 40.22 2jwx s ILE 96 CO 0.00 0.17 2.04 -0.61 0.24 0.00 0.00 174.94 176.78 2jwx h GLN 97 N 3.12 0.02 -0.35 0.37 5.75 -1.20 0.14 115.11 122.95 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 0.64 0.01 -0.11 0.00 -2.65 0.00 0.00 178.83 176.72 2jwx h ALA 98 N 1.81 0.19 0.03 3.38 0.00 -0.18 -1.20 119.26 123.29 2jwx h ALA 98 Ca 0.18 0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.98 2jwx h ALA 98 Cb 0.72 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2jwx h ALA 98 CO -0.00 -0.49 -1.21 1.25 0.00 0.00 0.00 179.25 178.80 2jwx h LEU 99 N -0.04 0.11 -0.71 0.00 5.85 -1.10 -2.08 115.31 117.35 2jwx h LEU 99 Ca 0.17 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2jwx h LEU 99 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2jwx h LEU 99 CO -0.38 1.11 -0.43 -0.78 -0.34 0.00 0.00 178.44 177.62 2jwx h ASP 100 N 0.02 0.52 0.48 1.25 3.58 -0.64 -2.43 116.42 119.19 2jwx h ASP 100 Ca -0.10 -0.24 -0.30 0.00 0.42 0.00 0.00 57.03 56.82 2jwx h ASP 100 Cb 1.87 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.73 2jwx h ASP 100 CO 0.14 0.88 -1.70 -0.07 -2.88 0.00 0.00 179.24 175.61 2jwx h LEU 101 N 0.40 0.05 -0.37 2.28 3.38 -1.33 -3.17 115.31 116.54 2jwx h LEU 101 Ca 0.03 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2jwx h LEU 101 Cb 0.92 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jwx h LEU 101 CO 0.08 1.09 -0.66 0.77 0.09 0.00 0.00 178.44 179.80 2jwx h SER 102 N 0.01 0.69 0.17 -0.43 4.64 -1.05 -2.86 113.55 114.72 2jwx h SER 102 Ca -0.29 -0.42 0.01 0.00 -0.47 0.00 0.00 61.79 60.63 2jwx h SER 102 Cb 2.01 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 2jwx h SER 102 CO 0.08 1.17 -0.25 0.58 -0.87 0.00 0.00 176.83 177.55 2jwx h VAL 103 N 0.43 0.46 0.00 0.95 2.07 -1.68 0.22 116.25 118.71 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 1.25 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2jwx h VAL 103 CO 0.13 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.27 2jwx h PRO 104 N -0.48 0.00 -0.00 1.57 0.13 -1.74 0.45 132.00 131.92 2jwx h PRO 104 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2jwx h PRO 104 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2jwx h PRO 104 CO -0.10 0.00 -0.29 1.28 -0.23 0.00 0.00 178.00 178.65 2jwx n LEU 105 N -2.58 0.60 -4.70 1.56 4.77 -0.51 -4.76 117.00 111.39 2jwx n LEU 105 Ca -0.00 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2jwx n LEU 105 Cb 0.17 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2jwx n LEU 105 CO 0.19 0.12 -0.28 0.00 -1.33 0.00 0.00 177.39 176.09 2jwx s MET 106 N -2.74 2.48 0.16 3.23 0.23 0.16 -5.05 119.30 117.76 2jwx s MET 106 Ca 0.19 -1.30 0.03 0.00 -1.03 0.00 0.00 55.69 53.58 2jwx s MET 106 Cb 0.19 -2.28 -0.04 0.00 -1.53 0.00 0.00 34.83 31.17 2jwx s MET 106 CO 0.58 0.38 0.27 -0.51 -2.03 0.00 0.00 175.02 173.71 2jwx s ASP 107 N -3.69 6.20 0.12 -1.18 1.11 -1.26 -4.63 116.67 113.34 2jwx s ASP 107 Ca 0.32 0.11 -0.31 0.00 0.18 0.00 0.00 52.55 52.85 2jwx s ASP 107 Cb -0.07 -1.83 -0.10 0.00 1.07 0.00 0.00 42.92 41.99 2jwx s ASP 107 CO 0.21 0.04 1.75 -0.69 1.18 0.00 0.00 175.17 177.67 2jwx s VAL 108 N -1.77 2.59 0.00 -1.27 1.01 -0.01 -1.71 120.40 119.25 2jwx s VAL 108 Ca 0.34 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2jwx s VAL 108 Cb -0.11 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2jwx s VAL 108 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2jwx n GLY 109 N 4.11 0.48 3.90 4.51 0.00 -0.16 -4.46 105.19 113.56 2jwx n GLY 109 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 3.60 -0.21 1.61 2.12 -0.70 -4.42 118.70 119.79 2jwx s GLU 110 Ca 0.00 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 2jwx s GLU 110 Cb 0.00 -2.41 0.06 0.00 0.26 0.00 0.00 34.13 32.03 2jwx s GLU 110 CO 0.00 -0.12 -0.03 0.99 -0.54 0.00 0.00 175.26 175.57 2jwx s THR 111 N -2.59 1.14 -0.06 -1.70 2.01 0.88 -2.12 115.64 113.20 2jwx s THR 111 Ca 0.48 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2jwx s THR 111 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2jwx s THR 111 CO 0.40 -0.09 -0.23 0.00 -0.69 0.00 0.00 174.62 174.01 2jwx s ALA 112 N 1.58 1.99 -0.28 7.40 0.00 -0.23 -1.70 121.76 130.52 2jwx s ALA 112 Ca -0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2jwx s ALA 112 Cb -0.18 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2jwx s ALA 112 CO -0.07 0.35 0.37 1.41 0.00 0.00 0.00 175.76 177.82 2jwx s MET 113 N 0.02 3.95 -0.24 0.00 -2.45 0.52 0.04 119.30 121.15 2jwx s MET 113 Ca -0.07 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 2jwx s MET 113 Cb -0.14 -3.68 0.04 0.00 1.25 0.00 0.00 34.83 32.30 2jwx s MET 113 CO 0.04 -0.32 -0.13 0.08 1.05 0.00 0.00 175.02 175.75 2jwx s VAL 114 N 2.07 2.22 -0.40 10.11 1.01 0.52 -0.09 120.40 135.84 2jwx s VAL 114 Ca 0.14 -1.37 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 2jwx s VAL 114 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2jwx s VAL 114 CO 0.10 0.16 0.66 0.42 0.00 0.00 0.00 175.10 176.45 2jwx s THR 115 N 1.18 4.83 -0.02 3.92 -4.23 0.46 0.01 115.64 121.78 2jwx s THR 115 Ca -0.04 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2jwx s THR 115 Cb -0.18 -4.16 0.03 0.00 1.34 0.00 0.00 72.50 69.53 2jwx s THR 115 CO -0.07 -0.47 0.02 0.00 -0.54 0.00 0.00 174.62 173.55 2jwx s ALA 116 N 2.84 0.20 0.97 3.99 0.00 0.39 0.06 121.76 130.21 2jwx s ALA 116 Ca 0.25 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 2jwx s ALA 116 Cb -0.14 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.77 2jwx s ALA 116 CO 0.17 -0.09 0.49 -3.47 0.00 0.00 0.00 175.76 172.87 2jwx n ASP 117 N 4.15 -1.75 0.21 0.00 -0.08 -0.81 0.15 116.55 118.43 2jwx n ASP 117 Ca -0.27 0.28 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2jwx n ASP 117 Cb 0.50 -1.22 0.48 0.00 2.34 0.00 0.00 41.12 43.21 2jwx n ASP 117 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2jwx h SER 118 N -1.70 0.01 0.07 1.67 0.02 -0.99 0.35 113.55 112.98 2jwx h SER 118 Ca -0.45 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2jwx h SER 118 Cb 1.29 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 2jwx h SER 118 CO 0.36 0.22 -0.01 0.07 -1.14 0.00 0.00 176.83 176.33 2jwx h LYS 119 N 0.01 0.00 -0.02 3.45 2.10 -1.87 1.48 116.57 121.72 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 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2jwx h LYS 119 CO 0.03 0.01 -0.35 0.66 -2.00 0.00 0.00 179.45 177.80 2jwx n TYR 120 N -3.32 0.00 0.00 0.07 4.01 0.45 -4.77 117.16 113.60 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2jwx n TYR 120 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jwx n TYR 122 N -1.28 0.00 0.27 0.00 4.01 0.25 -4.57 117.16 115.85 2jwx n TYR 122 Ca 0.00 -0.18 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 2jwx n TYR 122 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 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 0.19 -0.73 -1.65 2.72 0.00 0.14 0.35 103.07 104.09 2jwx h GLY 123 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2jwx h GLY 123 CO 0.02 -0.26 0.00 -1.55 0.00 0.00 0.00 176.54 174.74 2jwx n PRO 124 N -3.85 2.17 0.00 4.80 -0.04 -1.26 -4.46 135.00 132.37 2jwx n PRO 124 Ca -0.08 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2jwx n PRO 124 Cb 0.27 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.58 0.00 -0.07 0.54 6.02 -1.17 -5.15 117.38 118.14 2jwx n GLN 125 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2jwx n GLN 125 Cb 0.43 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.22 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 2.93 -3.03 3.94 1.08 0.00 0.10 -4.99 105.19 105.22 2jwx n GLY 126 Ca 0.00 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.20 6.28 0.17 1.61 0.15 -1.18 -4.85 113.70 113.70 2jwx s SER 127 Ca 0.00 0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.95 2jwx s SER 127 Cb 0.00 -2.03 0.11 0.00 -1.71 0.00 0.00 66.02 62.39 2jwx s SER 127 CO 0.00 -0.32 1.65 0.08 1.20 0.00 0.00 173.24 175.85 2jwx h ARG 128 N 0.72 -0.05 0.00 5.44 0.11 -2.00 -3.34 114.38 115.25 2jwx h ARG 128 Ca -0.50 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 2jwx h ARG 128 Cb 1.22 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jwx h ARG 128 CO 0.61 -0.04 -0.94 0.45 0.10 0.00 0.00 179.97 180.16 2jwx n SER 129 N -5.35 1.91 -4.38 0.08 2.88 -1.26 -4.89 113.62 102.61 2jwx n SER 129 Ca 0.03 0.41 -0.38 0.00 -1.33 0.00 0.00 58.87 57.59 2jwx n SER 129 Cb 0.26 -0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 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 -2.73 3.12 -0.30 -1.46 0.04 -1.26 -5.03 135.00 127.38 2jwx s PRO 130 Ca -0.26 -0.86 -0.27 0.00 0.04 0.00 0.00 61.00 59.65 2jwx s PRO 130 Cb 0.04 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2jwx s PRO 130 CO 0.38 -0.48 2.25 -0.47 0.04 0.00 0.00 177.00 178.71 2jwx s TYR 131 N 1.54 1.18 -0.20 0.56 6.14 -1.25 -3.07 117.35 122.25 2jwx s TYR 131 Ca 0.03 0.83 -0.29 0.00 0.64 0.00 0.00 57.07 58.28 2jwx s TYR 131 Cb -0.18 -3.85 -0.01 0.00 0.42 0.00 0.00 41.96 38.35 2jwx s TYR 131 CO 0.05 -3.58 1.27 0.42 0.64 0.00 0.00 175.55 174.34 2jwx s ILE 132 N 9.32 4.26 -0.69 3.14 -1.09 -1.26 -4.83 121.20 130.05 2jwx s ILE 132 Ca 0.98 1.50 -0.35 0.00 -2.23 0.00 0.00 60.65 60.56 2jwx s ILE 132 Cb -0.28 -4.04 -0.19 0.00 -1.58 0.00 0.00 42.46 36.37 2jwx s ILE 132 CO 0.32 -0.21 2.24 -2.65 -1.23 0.00 0.00 174.94 173.42 2jwx n PRO 133 N 6.76 0.00 -1.58 2.79 -0.01 -1.26 -4.34 135.00 137.36 2jwx n PRO 133 Ca 0.14 0.00 -0.50 0.00 -0.01 0.00 0.00 63.50 63.13 2jwx n PRO 133 Cb 0.45 -1.39 -0.05 0.00 -0.01 0.00 0.00 33.50 32.51 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 7.41 1.13 -0.93 0.52 -0.04 -1.26 -0.52 135.00 141.31 2jwx n PRO 134 Ca 0.56 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2jwx n PRO 134 Cb -0.00 -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 1.73 0.00 -2.09 0.54 -0.00 -1.26 -4.92 115.22 109.22 2jwx n HIS 135 Ca 0.16 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.92 2jwx n HIS 135 Cb 0.23 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.07 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 -2.88 3.62 -0.37 1.57 0.00 0.32 -4.34 121.76 119.68 2jwx s ALA 136 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 2jwx s ALA 136 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2jwx s ALA 136 CO 0.00 -1.16 1.40 0.00 0.00 0.00 0.00 175.76 176.01 2jwx s ALA 137 N 3.15 3.13 0.68 0.00 0.00 -1.26 -0.51 121.76 126.95 2jwx s ALA 137 Ca 0.69 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 2jwx s ALA 137 Cb -0.33 -3.90 0.01 0.00 0.00 0.00 0.00 23.12 18.90 2jwx s ALA 137 CO 0.28 -2.22 1.05 -0.51 0.00 0.00 0.00 175.76 174.36 2jwx s LEU 138 N 5.18 2.99 -0.28 0.00 1.43 0.12 -1.63 118.68 126.49 2jwx s LEU 138 Ca 0.61 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 2jwx s LEU 138 Cb -0.15 -3.86 0.10 0.00 0.03 0.00 0.00 46.19 42.31 2jwx s LEU 138 CO 0.30 -1.26 0.14 0.00 0.23 0.00 0.00 176.35 175.76 2jwx s LEU 140 N 2.12 2.42 -0.36 0.00 2.34 0.10 0.53 118.68 125.84 2jwx s LEU 140 Ca 0.09 -0.50 -0.20 0.00 0.06 0.00 0.00 54.13 53.57 2jwx s LEU 140 Cb -0.16 -1.55 0.00 0.00 -0.56 0.00 0.00 46.19 43.92 2jwx s LEU 140 CO -0.35 0.06 0.63 -0.70 -1.06 0.00 0.00 176.35 174.93 2jwx s GLU 141 N 0.95 3.67 0.01 1.48 2.12 -1.05 -0.36 118.70 125.52 2jwx s GLU 141 Ca -0.03 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.34 2jwx s GLU 141 Cb -0.15 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2jwx s GLU 141 CO -0.03 -0.74 0.09 0.14 -0.54 0.00 0.00 175.26 174.18 2jwx s VAL 142 N 2.70 4.73 -0.27 3.70 -7.23 0.11 -2.27 120.40 121.86 2jwx s VAL 142 Ca 0.24 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2jwx s VAL 142 Cb -0.14 -3.18 0.07 0.00 0.56 0.00 0.00 36.38 33.69 2jwx s VAL 142 CO 0.15 0.32 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.32 2jwx s THR 143 N -1.23 1.91 -0.32 5.32 2.01 0.85 -1.07 115.64 123.12 2jwx s THR 143 Ca 0.24 -1.65 -0.25 0.00 0.31 0.00 0.00 61.69 60.34 2jwx s THR 143 Cb -0.12 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.22 2jwx s THR 143 CO 0.15 -0.22 0.86 -0.22 -0.69 0.00 0.00 174.62 174.50 2jwx s LEU 144 N 1.18 4.05 0.00 4.42 0.20 -0.90 -0.49 118.68 127.14 2jwx s LEU 144 Ca -0.02 0.72 0.00 0.00 0.69 0.00 0.00 54.13 55.52 2jwx s LEU 144 Cb -0.19 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 2jwx s LEU 144 CO -0.07 -0.70 0.00 2.29 -0.29 0.00 0.00 176.35 177.58 2jwx n LYS 145 N 6.41 1.66 -3.71 1.98 2.85 -0.98 -0.99 118.16 125.38 2jwx n LYS 145 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.19 2jwx n LYS 145 Cb 0.48 -0.88 -0.10 0.00 -0.65 0.00 0.00 35.03 33.88 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 -1.74 -0.01 -0.22 0.58 2.01 -1.23 -4.80 115.64 110.24 2jwx s THR 146 Ca 0.00 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 2jwx s THR 146 Cb 0.00 -0.62 0.09 0.00 0.01 0.00 0.00 72.50 71.98 2jwx s THR 146 CO 0.00 0.01 0.48 0.00 -0.69 0.00 0.00 174.62 174.42 2jwx s ALA 147 N 0.57 -1.35 -0.03 7.40 0.00 -1.24 -1.60 121.76 125.50 2jwx s ALA 147 Ca -0.03 1.72 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 2jwx s ALA 147 Cb -0.04 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.74 2jwx s ALA 147 CO -0.03 -0.70 0.32 0.14 0.00 0.00 0.00 175.76 175.48 2jwx s VAL 148 N 2.44 0.05 0.02 0.00 -7.23 -0.79 -4.61 120.40 110.27 2jwx s VAL 148 Ca -0.04 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 2jwx s VAL 148 Cb -0.11 -0.59 -0.08 0.00 0.56 0.00 0.00 36.38 36.16 2jwx s VAL 148 CO -0.14 -0.22 1.76 -0.62 -0.31 0.00 0.00 175.10 175.57 2jwx s ASP 149 N -1.08 6.57 0.00 4.85 2.15 -1.26 -0.06 116.67 127.84 2jwx s ASP 149 Ca -0.11 2.47 0.02 0.00 0.43 0.00 0.00 52.55 55.36 2jwx s ASP 149 Cb -0.05 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2jwx s ASP 149 CO 0.04 -0.96 0.97 -0.11 -0.17 0.00 0.00 175.17 174.94 2jwx n LEU 150 N 6.73 -0.71 -4.57 -1.34 7.94 -1.21 -4.87 117.00 118.97 2jwx n LEU 150 Ca 0.18 -1.91 -0.40 0.00 -1.11 0.00 0.00 56.01 52.77 2jwx n LEU 150 Cb 0.41 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.33 2jwx n LEU 150 CO 0.64 1.35 1.59 -0.70 -1.11 0.00 0.00 177.39 179.16 2jwx s GLU 151 N 0.00 2.89 0.36 1.96 2.12 -0.52 -4.66 118.70 120.85 2jwx s GLU 151 Ca 0.03 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2jwx s GLU 151 Cb 0.04 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2jwx s GLU 151 CO -0.02 -2.40 0.00 0.72 -0.54 0.00 0.00 175.26 173.03 2jwx n HIS 152 N 11.89 -2.66 -1.74 5.30 8.25 -1.26 -4.20 115.22 130.80 2jwx n HIS 152 Ca 0.22 1.41 -0.40 0.00 -0.26 0.00 0.00 57.72 58.69 2jwx n HIS 152 Cb 0.50 -2.41 -0.01 0.00 1.12 0.00 0.00 29.99 29.18 2jwx n HIS 152 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jwx n HIS 153 N -3.75 2.64 -2.27 4.41 8.25 -1.26 -4.85 115.22 118.38 2jwx n HIS 153 Ca -0.03 -2.94 -0.43 0.00 -0.26 0.00 0.00 57.72 54.06 2jwx n HIS 153 Cb 0.47 -2.17 0.00 0.00 1.12 0.00 0.00 29.99 29.42 2jwx n HIS 153 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jwx n HIS 154 N 3.02 3.40 -3.56 4.41 -0.00 -1.26 -4.81 115.22 116.42 2jwx n HIS 154 Ca 0.66 -2.90 -0.00 0.00 -0.00 0.00 0.00 57.72 55.47 2jwx n HIS 154 Cb 0.26 -2.16 -0.06 0.00 -0.00 0.00 0.00 29.99 28.04 2jwx n HIS 154 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jwx s HIS 155 N 1.39 -0.51 -0.18 -1.40 2.46 -1.26 -5.05 115.29 110.73 2jwx s HIS 155 Ca 0.42 0.98 -0.05 0.00 0.47 0.00 0.00 55.06 56.88 2jwx s HIS 155 Cb 0.09 0.31 -0.09 0.00 -0.13 0.00 0.00 32.58 32.76 2jwx s HIS 155 CO -0.01 -0.25 -0.20 1.58 -2.47 0.00 0.00 174.74 173.38 2jwx n HIS 156 N 4.00 0.00 -0.78 3.88 -0.00 -1.26 -5.28 115.22 115.78 2jwx n HIS 156 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 2jwx n HIS 156 Cb 0.56 -0.65 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 2jwx n HIS 156 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38