#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwx n GLY 2 N 0.00 0.55 2.02 -5.12 0.00 -1.26 -4.95 105.19 96.43 2jwx n GLY 2 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2jwx n GLY 2 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jwx n GLN 3 N -1.22 0.00 -2.49 1.61 7.27 -1.26 -5.11 117.38 116.18 2jwx n GLN 3 Ca -0.02 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.68 2jwx n GLN 3 Cb 0.51 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.13 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 -2.00 4.19 0.28 3.69 0.02 -1.26 -4.99 135.00 134.92 2jwx s PRO 4 Ca 0.00 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 2jwx s PRO 4 Cb 0.00 -2.63 -0.11 0.00 0.02 0.00 0.00 34.50 31.78 2jwx s PRO 4 CO 0.00 -0.14 1.58 -1.25 -0.33 0.00 0.00 177.00 176.86 2jwx s PRO 5 N -2.35 4.14 0.00 5.54 0.04 -1.26 -4.91 135.00 136.20 2jwx s PRO 5 Ca 0.56 2.54 0.25 0.00 0.04 0.00 0.00 61.00 64.38 2jwx s PRO 5 Cb -0.25 -3.04 0.38 0.00 0.04 0.00 0.00 34.50 31.63 2jwx s PRO 5 CO 0.31 -0.61 1.33 0.00 0.04 0.00 0.00 177.00 178.07 2jwx n ALA 6 N 2.41 3.33 -2.70 8.56 0.00 -1.26 -4.76 120.51 126.10 2jwx n ALA 6 Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 2jwx n ALA 6 Cb 0.38 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.50 3.17 0.03 0.00 0.41 -1.26 -4.86 118.70 113.70 2jwx s GLU 7 Ca 0.21 -0.57 -0.11 0.00 -0.41 0.00 0.00 54.97 54.10 2jwx s GLU 7 Cb 0.19 -4.25 -0.32 0.00 -1.78 0.00 0.00 34.13 27.97 2jwx s GLU 7 CO 0.55 -1.99 0.99 1.49 -0.49 0.00 0.00 175.26 175.81 2jwx h GLU 8 N 9.79 0.42 0.00 1.61 4.57 -1.23 -3.44 114.58 126.30 2jwx h GLU 8 Ca -0.26 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.20 2jwx h GLU 8 Cb 1.06 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2jwx h GLU 8 CO 1.24 1.33 0.00 0.00 -1.18 0.00 0.00 179.01 180.40 2jwx n ALA 9 N -2.67 0.02 -1.00 2.92 0.00 0.59 -4.97 120.51 115.39 2jwx n ALA 9 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jwx n ALA 9 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2jwx n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jwx n GLU 10 N 0.00 0.00 0.06 0.00 4.07 -1.26 -4.95 120.64 118.56 2jwx n GLU 10 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 2jwx n GLU 10 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 2jwx n GLU 10 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2jwx h GLN 11 N 0.00 -0.15 -0.23 5.31 4.15 -1.91 -3.24 115.11 119.04 2jwx h GLN 11 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2jwx h GLN 11 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2jwx h GLN 11 CO 0.00 -0.10 0.00 -2.30 -1.93 0.00 0.00 178.83 174.50 2jwx n PRO 12 N -2.57 1.49 0.00 -2.39 -0.02 -1.26 -4.72 135.00 125.53 2jwx n PRO 12 Ca -0.02 -0.74 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 2jwx n PRO 12 Cb 0.06 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 13 N 0.80 1.48 0.31 -1.23 0.00 -1.23 -4.54 105.19 100.79 2jwx n GLY 13 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.97 -2.68 4.61 0.00 -1.26 -0.30 120.51 121.84 2jwx n ALA 14 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2jwx n ALA 14 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jwx s LEU 15 N -4.90 2.51 0.16 0.00 -0.00 -1.26 -3.76 118.68 111.42 2jwx s LEU 15 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 54.13 52.60 2jwx s LEU 15 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 46.19 45.43 2jwx s LEU 15 CO 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 176.35 175.66 2jwx n ALA 16 N -1.11 -0.94 -2.41 1.48 0.00 -1.26 -4.32 120.51 111.95 2jwx n ALA 16 Ca -0.12 0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 2jwx n ALA 16 Cb 0.67 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 2jwx n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jwx s ARG 17 N -3.78 1.84 0.13 0.00 1.81 -1.26 -4.62 118.95 113.07 2jwx s ARG 17 Ca 0.00 -2.10 0.01 0.00 -1.72 0.00 0.00 55.73 51.92 2jwx s ARG 17 Cb 0.00 -0.19 0.01 0.00 -0.45 0.00 0.00 34.95 34.32 2jwx s ARG 17 CO 0.00 -0.55 0.12 -0.85 -0.68 0.00 0.00 175.30 173.34 2jwx n GLU 18 N -0.78 1.19 -3.15 3.54 0.00 -1.26 -4.81 120.64 115.37 2jwx n GLU 18 Ca -0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 57.16 56.22 2jwx n GLU 18 Cb 0.64 0.05 0.07 0.00 0.00 0.00 0.00 31.44 32.20 2jwx n GLU 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2jwx n PHE 19 N -0.95 -1.94 -3.79 -1.84 3.72 0.10 -4.90 117.46 107.86 2jwx n PHE 19 Ca 0.01 0.78 -0.01 0.00 -0.05 0.00 0.00 57.45 58.18 2jwx n PHE 19 Cb 0.15 -4.41 0.00 0.00 -0.94 0.00 0.00 39.48 34.28 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2jwx s LEU 20 N -5.52 -0.07 -0.21 4.37 0.05 -0.47 -4.68 118.68 112.16 2jwx s LEU 20 Ca 0.12 -0.39 -0.38 0.00 0.05 0.00 0.00 54.13 53.52 2jwx s LEU 20 Cb -0.02 1.83 -0.14 0.00 -2.05 0.00 0.00 46.19 45.81 2jwx s LEU 20 CO 0.62 -0.70 1.78 0.00 -0.55 0.00 0.00 176.35 177.50 2jwx n ALA 21 N -0.60 0.12 -1.98 1.48 0.00 -1.26 -4.08 120.51 114.19 2jwx n ALA 21 Ca -0.05 0.36 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 2jwx n ALA 21 Cb 0.61 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 3.61 2.03 0.00 0.00 0.00 -1.26 -4.62 121.76 121.52 2jwx s ALA 22 Ca 0.96 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2jwx s ALA 22 Cb -0.95 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 17.82 2jwx s ALA 22 CO 0.61 -4.10 0.00 -0.12 0.00 0.00 0.00 175.76 172.15 2jwx n MET 23 N 9.13 2.61 -3.19 0.00 0.00 -1.26 -5.06 117.12 119.34 2jwx n MET 23 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.67 2jwx n MET 23 Cb 0.52 -0.98 -0.02 0.00 0.00 0.00 0.00 33.22 32.74 2jwx n MET 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2jwx s GLU 24 N -1.94 3.60 0.01 2.12 0.41 -1.26 -5.03 118.70 116.61 2jwx s GLU 24 Ca 0.00 0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.27 2jwx s GLU 24 Cb 0.00 -2.58 -0.07 0.00 -1.78 0.00 0.00 34.13 29.70 2jwx s GLU 24 CO 0.00 0.11 1.58 -2.14 -0.49 0.00 0.00 175.26 174.31 2jwx s PRO 25 N -3.93 4.22 0.07 0.39 0.02 -1.26 -5.00 135.00 129.51 2jwx s PRO 25 Ca 0.44 2.17 -0.20 0.00 0.02 0.00 0.00 61.00 63.43 2jwx s PRO 25 Cb -0.10 -3.72 -0.07 0.00 0.02 0.00 0.00 34.50 30.63 2jwx s PRO 25 CO 0.34 -0.72 0.60 -1.21 -0.33 0.00 0.00 177.00 175.67 2jwx s GLU 26 N 3.03 4.26 0.60 5.54 0.41 -1.26 -4.67 118.70 126.61 2jwx s GLU 26 Ca 0.71 0.79 -0.10 0.00 -0.41 0.00 0.00 54.97 55.95 2jwx s GLU 26 Cb -0.35 -3.26 0.14 0.00 -1.78 0.00 0.00 34.13 28.88 2jwx s GLU 26 CO 0.29 0.58 0.77 -2.30 -0.49 0.00 0.00 175.26 174.12 2jwx n PRO 27 N 1.89 -0.96 -2.45 0.39 -0.02 -1.26 -5.01 135.00 127.58 2jwx n PRO 27 Ca -0.09 -1.20 -0.42 0.00 -2.02 0.00 0.00 63.50 59.77 2jwx n PRO 27 Cb 0.51 -0.83 -0.03 0.00 -0.02 0.00 0.00 33.50 33.12 2jwx n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx s ALA 28 N -3.86 3.43 0.98 3.55 0.00 -1.26 -4.71 121.76 119.89 2jwx s ALA 28 Ca 0.44 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 2jwx s ALA 28 Cb -0.02 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.75 2jwx s ALA 28 CO 0.31 -0.58 0.76 -0.35 0.00 0.00 0.00 175.76 175.90 2jwx n PRO 29 N 4.55 -0.77 -3.67 0.00 -0.04 -1.26 -4.90 135.00 128.90 2jwx n PRO 29 Ca 0.10 -0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 2jwx n PRO 29 Cb 0.46 -2.10 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 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 -4.14 3.77 -0.72 0.55 0.00 -1.26 -5.01 120.51 113.71 2jwx n ALA 30 Ca 0.08 -4.63 -0.32 0.00 0.00 0.00 0.00 53.44 48.57 2jwx n ALA 30 Cb 0.54 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2jwx n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jwx n PRO 31 N 1.65 0.00 -3.79 0.00 -0.01 -1.26 -4.77 135.00 126.82 2jwx n PRO 31 Ca 0.24 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.36 2jwx n PRO 31 Cb 0.37 -0.75 -0.12 0.00 -0.01 0.00 0.00 33.50 32.98 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jwx s ALA 32 N 2.47 3.01 0.11 3.55 0.00 -1.26 -5.02 121.76 124.63 2jwx s ALA 32 Ca 0.58 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.33 2jwx s ALA 32 Cb -0.75 -2.22 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 2jwx s ALA 32 CO 0.36 -1.41 1.35 -1.25 0.00 0.00 0.00 175.76 174.82 2jwx s PRO 33 N 1.32 4.34 -1.16 0.00 0.04 -1.26 -3.83 135.00 134.45 2jwx s PRO 33 Ca -0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2jwx s PRO 33 Cb -0.20 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2jwx s PRO 33 CO 0.01 -0.39 0.00 0.39 0.04 0.00 0.00 177.00 177.04 2jwx n GLU 34 N 3.82 -0.92 -1.70 4.56 4.71 -1.26 -4.91 120.64 124.94 2jwx n GLU 34 Ca 0.11 0.75 -0.41 0.00 -0.01 0.00 0.00 57.16 57.59 2jwx n GLU 34 Cb 0.43 -4.85 -0.01 0.00 -1.01 0.00 0.00 31.44 26.00 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 -2.39 3.41 -1.70 3.49 -0.58 -1.25 -4.96 120.64 116.66 2jwx n GLU 35 Ca -0.13 -2.68 -0.44 0.00 -0.42 0.00 0.00 57.16 53.49 2jwx n GLU 35 Cb 0.52 -3.02 -0.03 0.00 -0.57 0.00 0.00 31.44 28.34 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 4.54 2.50 -4.73 -0.32 7.02 -1.24 -3.93 117.44 121.28 2jwx n TRP 36 Ca 0.60 0.23 -0.33 0.00 -1.02 0.00 0.00 57.50 56.98 2jwx n TRP 36 Cb 0.32 -2.58 -0.14 0.00 -2.42 0.00 0.00 31.31 26.49 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 0.58 2.78 -0.64 -0.99 2.96 -0.44 -4.91 118.68 118.01 2jwx s LEU 37 Ca 0.73 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 54.06 2jwx s LEU 37 Cb -0.59 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.49 2jwx s LEU 37 CO 0.40 0.16 1.30 -0.62 -1.32 0.00 0.00 176.35 176.28 2jwx s ASP 38 N 0.36 6.22 0.11 3.68 -1.08 -1.26 -2.04 116.67 122.67 2jwx s ASP 38 Ca -0.10 -0.05 -0.23 0.00 -0.52 0.00 0.00 52.55 51.65 2jwx s ASP 38 Cb -0.16 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.67 2jwx s ASP 38 CO 0.05 -1.70 1.69 0.40 0.52 0.00 0.00 175.17 176.13 2jwx h ILE 39 N 6.19 0.73 -0.02 4.11 2.04 -0.51 -2.55 117.51 127.50 2jwx h ILE 39 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jwx h ILE 39 Cb 1.07 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2jwx h ILE 39 CO 1.22 0.00 -0.18 0.18 0.00 0.00 0.00 178.15 179.37 2jwx n LEU 40 N -5.23 2.40 0.00 1.44 4.77 -1.26 -4.88 117.00 114.24 2jwx n LEU 40 Ca -0.05 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2jwx n LEU 40 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2jwx n LEU 40 CO 0.27 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2jwx n GLY 41 N 1.25 0.11 0.19 -0.72 0.00 -0.96 -4.84 105.19 100.22 2jwx n GLY 41 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.19 0.00 1.61 -0.00 -1.87 -3.47 115.58 112.04 2jwx h ASN 42 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 2jwx h ASN 42 Cb 0.70 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 2jwx h ASN 42 CO 0.00 0.60 0.00 0.61 -0.00 0.00 0.00 177.43 178.64 2jwx n GLY 43 N -0.16 2.04 0.06 9.14 0.00 -1.26 -4.83 105.19 110.18 2jwx n GLY 43 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.42 -3.98 0.99 4.32 -1.26 -4.80 117.00 112.68 2jwx n LEU 44 Ca 0.00 0.16 -0.31 0.00 -0.02 0.00 0.00 56.01 55.84 2jwx n LEU 44 Cb 0.00 -0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 41.62 2jwx n LEU 44 CO 0.00 -0.09 -0.39 -0.22 -1.22 0.00 0.00 177.39 175.47 2jwx s LEU 45 N -4.91 3.56 -0.02 2.23 1.98 -1.24 -1.90 118.68 118.38 2jwx s LEU 45 Ca -0.04 -1.64 0.00 0.00 -2.89 0.00 0.00 54.13 49.56 2jwx s LEU 45 Cb 0.12 -1.41 0.02 0.00 0.66 0.00 0.00 46.19 45.58 2jwx s LEU 45 CO 0.85 -0.30 0.00 -0.13 -1.89 0.00 0.00 176.35 174.89 2jwx s ARG 46 N 1.16 0.16 -0.13 1.98 0.52 0.99 0.32 118.95 123.95 2jwx s ARG 46 Ca 0.01 0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.25 2jwx s ARG 46 Cb -0.19 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 2jwx s ARG 46 CO -0.09 -0.10 0.02 0.21 0.02 0.00 0.00 175.30 175.37 2jwx s LYS 47 N 0.76 3.43 -0.12 3.54 2.20 -0.86 0.00 119.74 128.70 2jwx s LYS 47 Ca -0.07 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2jwx s LYS 47 Cb -0.10 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2jwx s LYS 47 CO -0.02 0.51 -0.14 0.21 -0.36 0.00 0.00 175.35 175.55 2jwx s LYS 48 N -0.32 3.27 -0.77 4.03 2.20 0.25 -1.33 119.74 127.06 2jwx s LYS 48 Ca 0.07 -0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 54.72 2jwx s LYS 48 Cb -0.12 -2.58 0.03 0.00 -1.51 0.00 0.00 37.83 33.65 2jwx s LYS 48 CO 0.02 0.25 1.29 0.95 -0.36 0.00 0.00 175.35 177.50 2jwx s THR 49 N 0.24 3.76 -0.08 3.43 -4.23 -1.25 -1.46 115.64 116.04 2jwx s THR 49 Ca -0.09 0.25 -0.27 0.00 -1.18 0.00 0.00 61.69 60.39 2jwx s THR 49 Cb -0.16 -4.93 -0.23 0.00 1.34 0.00 0.00 72.50 68.53 2jwx s THR 49 CO 0.05 -1.86 0.99 -0.07 -0.54 0.00 0.00 174.62 173.20 2jwx h LEU 50 N 12.95 -0.01 -7.91 4.79 3.38 -1.68 -3.38 115.31 123.45 2jwx h LEU 50 Ca -0.22 -0.72 -0.56 0.00 0.09 0.00 0.00 57.88 56.47 2jwx h LEU 50 Cb 1.05 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.45 2jwx h LEU 50 CO 1.29 0.73 -0.82 -0.69 0.09 0.00 0.00 178.44 179.04 2jwx s VAL 51 N -3.20 1.34 -0.19 1.22 1.01 -0.57 -4.47 120.40 115.54 2jwx s VAL 51 Ca -0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2jwx s VAL 51 Cb -0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2jwx s VAL 51 CO 0.66 0.41 0.13 -2.16 0.00 0.00 0.00 175.10 174.14 2jwx s PRO 52 N 1.19 4.12 0.75 2.72 0.04 -1.26 -0.13 135.00 142.43 2jwx s PRO 52 Ca -0.03 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 60.64 2jwx s PRO 52 Cb -0.14 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2jwx s PRO 52 CO -0.04 0.34 0.79 0.41 0.04 0.00 0.00 177.00 178.54 2jwx n GLY 53 N 3.40 -0.92 3.32 0.56 0.00 -1.26 -4.18 105.19 106.11 2jwx n GLY 53 Ca -0.16 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.58 0.05 0.00 1.61 -0.02 -1.24 -4.66 135.00 129.15 2jwx n PRO 54 Ca 0.11 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2jwx n PRO 54 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.01 0.00 -0.32 0.52 -0.02 -1.26 -0.15 135.00 133.76 2jwx n PRO 55 Ca 0.06 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 2jwx n PRO 55 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.01 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 -0.63 -0.13 0.00 -1.23 0.00 -1.26 -5.01 105.19 96.93 2jwx n GLY 56 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jwx n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jwx n SER 57 N -0.10 0.00 -3.78 1.61 2.88 0.79 -1.09 113.62 113.93 2jwx n SER 57 Ca 0.01 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.40 2jwx n SER 57 Cb 0.63 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.93 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jwx s SER 58 N 0.00 0.06 -0.79 -3.46 0.01 -1.26 0.00 113.70 108.26 2jwx s SER 58 Ca 0.00 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 2jwx s SER 58 Cb 0.00 -0.05 0.20 0.00 0.21 0.00 0.00 66.02 66.38 2jwx s SER 58 CO 0.00 -0.12 0.66 -0.13 0.41 0.00 0.00 173.24 174.06 2jwx s ARG 59 N 1.01 3.06 0.20 12.44 1.81 -1.24 -1.49 118.95 134.74 2jwx s ARG 59 Ca -0.08 -2.93 -0.33 0.00 -1.72 0.00 0.00 55.73 50.67 2jwx s ARG 59 Cb -0.12 -3.93 -0.14 0.00 -0.45 0.00 0.00 34.95 30.31 2jwx s ARG 59 CO -0.03 -1.23 1.47 -0.35 -0.68 0.00 0.00 175.30 174.48 2jwx n PRO 60 N 2.90 2.02 -3.25 3.54 -0.04 -1.26 -4.95 135.00 133.97 2jwx n PRO 60 Ca 0.16 0.73 -0.39 0.00 -0.04 0.00 0.00 63.50 63.96 2jwx n PRO 60 Cb 0.38 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2jwx n PRO 60 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jwx s VAL 61 N 0.36 4.75 -0.99 0.52 -7.23 -1.26 -4.11 120.40 112.44 2jwx s VAL 61 Ca 0.73 1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 61.84 2jwx s VAL 61 Cb -0.68 -3.91 -0.22 0.00 0.56 0.00 0.00 36.38 32.13 2jwx s VAL 61 CO 0.45 0.54 2.68 0.29 -0.31 0.00 0.00 175.10 178.74 2jwx n LYS 62 N 1.85 0.02 0.00 4.82 5.02 -1.26 -0.30 118.16 128.31 2jwx n LYS 62 Ca -0.10 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2jwx n LYS 62 Cb 0.51 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwx n GLY 63 N 6.46 0.78 3.77 0.72 0.00 0.26 -4.77 105.19 112.41 2jwx n GLY 63 Ca 0.65 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.28 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 4.38 -0.09 1.61 -1.52 0.59 -1.97 119.66 122.65 2jwx s GLN 64 Ca 0.00 0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 53.98 2jwx s GLN 64 Cb 0.00 -3.33 -0.02 0.00 -0.22 0.00 0.00 33.01 29.44 2jwx s GLN 64 CO 0.00 0.40 1.11 0.14 -0.25 0.00 0.00 175.29 176.69 2jwx s VAL 65 N -0.36 4.51 -0.11 1.09 -7.23 0.14 -2.47 120.40 115.97 2jwx s VAL 65 Ca 0.33 1.80 0.02 0.00 -1.81 0.00 0.00 61.98 62.33 2jwx s VAL 65 Cb -0.19 -4.16 -0.01 0.00 0.56 0.00 0.00 36.38 32.58 2jwx s VAL 65 CO 0.20 -0.01 -0.18 0.68 -0.31 0.00 0.00 175.10 175.48 2jwx s VAL 66 N 2.21 2.65 -0.43 1.32 -7.23 -1.08 -1.23 120.40 116.61 2jwx s VAL 66 Ca 0.52 -0.81 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 2jwx s VAL 66 Cb -0.21 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2jwx s VAL 66 CO 0.19 0.54 0.77 0.42 -0.31 0.00 0.00 175.10 176.72 2jwx s THR 67 N 0.24 4.68 -0.18 5.32 -4.23 -0.79 -2.41 115.64 118.27 2jwx s THR 67 Ca -0.12 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2jwx s THR 67 Cb -0.16 -4.29 -0.01 0.00 1.34 0.00 0.00 72.50 69.38 2jwx s THR 67 CO 0.06 -0.66 -0.09 0.68 -0.54 0.00 0.00 174.62 174.08 2jwx s VAL 68 N 3.22 3.19 -0.48 2.29 -7.23 0.60 -2.29 120.40 119.69 2jwx s VAL 68 Ca 0.29 -0.58 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 2jwx s VAL 68 Cb -0.12 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2jwx s VAL 68 CO 0.21 0.48 0.99 -2.28 -0.31 0.00 0.00 175.10 174.19 2jwx s HIS 69 N 0.96 2.86 -0.06 2.82 2.46 0.51 0.46 115.29 125.30 2jwx s HIS 69 Ca -0.01 0.41 0.05 0.00 0.47 0.00 0.00 55.06 55.98 2jwx s HIS 69 Cb -0.15 -4.13 -0.01 0.00 -0.13 0.00 0.00 32.58 28.16 2jwx s HIS 69 CO -0.00 -1.20 -0.23 -0.48 -2.47 0.00 0.00 174.74 170.36 2jwx s LEU 70 N 4.02 2.21 -0.25 8.88 0.05 -0.70 0.02 118.68 132.91 2jwx s LEU 70 Ca 0.39 -0.45 0.01 0.00 0.05 0.00 0.00 54.13 54.13 2jwx s LEU 70 Cb -0.09 -1.42 0.06 0.00 -2.05 0.00 0.00 46.19 42.69 2jwx s LEU 70 CO 0.27 0.25 -0.04 -1.10 -0.55 0.00 0.00 176.35 175.18 2jwx s GLN 71 N -0.21 1.61 -0.07 1.48 1.11 -0.82 -0.28 119.66 122.49 2jwx s GLN 71 Ca -0.02 -1.07 -0.19 0.00 0.01 0.00 0.00 55.36 54.09 2jwx s GLN 71 Cb -0.13 -2.62 -0.05 0.00 -1.01 0.00 0.00 33.01 29.20 2jwx s GLN 71 CO 0.03 -0.64 0.51 0.99 0.01 0.00 0.00 175.29 176.19 2jwx s THR 72 N 1.35 5.08 -0.04 -0.19 2.01 -0.86 -2.64 115.64 120.36 2jwx s THR 72 Ca -0.04 1.04 0.07 0.00 0.31 0.00 0.00 61.69 63.06 2jwx s THR 72 Cb -0.19 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2jwx s THR 72 CO -0.07 0.38 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.55 2jwx s SER 73 N 0.17 3.11 1.13 3.53 0.01 0.49 0.13 113.70 122.28 2jwx s SER 73 Ca 0.27 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 2jwx s SER 73 Cb -0.16 -0.58 0.24 0.00 0.21 0.00 0.00 66.02 65.73 2jwx s SER 73 CO 0.13 0.29 0.88 -0.11 0.41 0.00 0.00 173.24 174.84 2jwx n LEU 74 N 2.65 -0.95 0.23 2.44 -0.00 0.17 -0.34 117.00 121.19 2jwx n LEU 74 Ca -0.17 -0.07 0.12 0.00 -0.00 0.00 0.00 56.01 55.88 2jwx n LEU 74 Cb 0.51 -1.25 0.71 0.00 -0.00 0.00 0.00 43.42 43.40 2jwx n LEU 74 CO 0.24 -3.15 1.10 1.05 -0.00 0.00 0.00 177.39 176.64 2jwx h GLU 75 N -2.49 0.00 0.00 1.96 4.11 -1.76 0.66 114.58 117.06 2jwx h GLU 75 Ca -0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.85 2jwx h GLU 75 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2jwx h GLU 75 CO 0.46 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.63 2jwx n ASN 76 N -4.34 0.00 0.00 3.06 3.02 -1.26 -4.87 115.26 110.87 2jwx n ASN 76 Ca -0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2jwx n ASN 76 Cb 0.18 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.63 0.79 3.58 7.41 0.00 0.23 -5.01 105.19 112.84 2jwx n GLY 77 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.15 4.20 -0.25 2.61 2.01 -1.25 -4.50 115.64 115.31 2jwx s THR 78 Ca 0.00 1.01 -0.35 0.00 0.31 0.00 0.00 61.69 62.66 2jwx s THR 78 Cb 0.00 -4.61 -0.11 0.00 0.01 0.00 0.00 72.50 67.79 2jwx s THR 78 CO 0.00 -1.09 2.05 -1.14 -0.69 0.00 0.00 174.62 173.76 2jwx n ARG 79 N 7.89 1.53 -0.00 4.92 3.00 -1.26 0.42 116.66 133.16 2jwx n ARG 79 Ca 0.10 0.49 0.08 0.00 -0.00 0.00 0.00 57.85 58.52 2jwx n ARG 79 Cb 0.49 -2.58 -0.10 0.00 0.00 0.00 0.00 32.46 30.27 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 6.38 0.00 -3.47 5.15 0.24 0.12 -4.92 118.33 121.83 2jwx n VAL 80 Ca 0.33 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.40 2jwx n VAL 80 Cb 0.27 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 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 -2.63 1.21 -0.25 7.34 1.03 -1.17 -4.73 119.66 120.46 2jwx s GLN 81 Ca 0.06 -0.42 -0.02 0.00 0.04 0.00 0.00 55.36 55.02 2jwx s GLN 81 Cb 0.13 0.55 0.12 0.00 0.03 0.00 0.00 33.01 33.84 2jwx s GLN 81 CO 0.71 -0.50 0.27 -2.00 -2.54 0.00 0.00 175.29 171.22 2jwx s GLU 82 N -3.42 0.27 -0.40 9.60 2.12 -1.26 -2.03 118.70 123.58 2jwx s GLU 82 Ca -0.00 0.05 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 2jwx s GLU 82 Cb -0.00 -0.88 0.10 0.00 0.26 0.00 0.00 34.13 33.60 2jwx s GLU 82 CO -0.10 -0.84 0.19 -1.21 -0.54 0.00 0.00 175.26 172.76 2jwx s GLU 83 N 2.35 2.20 0.00 4.30 0.41 0.62 -4.98 118.70 123.60 2jwx s GLU 83 Ca 0.09 -1.67 0.08 0.00 -0.41 0.00 0.00 54.97 53.06 2jwx s GLU 83 Cb -0.15 -3.57 0.38 0.00 -1.78 0.00 0.00 34.13 29.01 2jwx s GLU 83 CO -0.23 -0.99 1.10 -2.30 -0.49 0.00 0.00 175.26 172.36 2jwx n PRO 84 N 4.67 0.10 -3.15 0.39 -0.02 -1.26 -1.73 135.00 134.00 2jwx n PRO 84 Ca -0.06 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 2jwx n PRO 84 Cb 0.42 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 2jwx n PRO 84 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2jwx s GLU 85 N -2.58 0.20 -0.35 -0.52 -1.05 -1.26 -4.31 118.70 108.84 2jwx s GLU 85 Ca 0.07 0.36 -0.03 0.00 -0.15 0.00 0.00 54.97 55.22 2jwx s GLU 85 Cb 0.05 0.20 0.07 0.00 -0.44 0.00 0.00 34.13 34.01 2jwx s GLU 85 CO 0.11 -0.22 0.09 -1.17 0.95 0.00 0.00 175.26 175.03 2jwx s LEU 86 N 2.94 4.44 -0.12 1.83 2.96 0.17 -4.76 118.68 126.15 2jwx s LEU 86 Ca -0.00 -1.48 -0.05 0.00 -0.22 0.00 0.00 54.13 52.38 2jwx s LEU 86 Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2jwx s LEU 86 CO -0.11 -0.37 0.06 0.54 -1.32 0.00 0.00 176.35 175.14 2jwx s VAL 87 N 1.26 4.78 0.17 1.68 0.11 -1.22 -0.29 120.40 126.89 2jwx s VAL 87 Ca -0.00 -0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 2jwx s VAL 87 Cb -0.21 -3.07 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2jwx s VAL 87 CO -0.01 0.58 0.45 0.72 -3.33 0.00 0.00 175.10 173.52 2jwx s PHE 88 N -0.68 -0.06 -0.55 1.54 -0.71 -1.01 -4.95 117.98 111.56 2jwx s PHE 88 Ca 0.12 -0.28 -0.27 0.00 -1.04 0.00 0.00 56.93 55.45 2jwx s PHE 88 Cb -0.12 0.29 -0.00 0.00 -1.21 0.00 0.00 43.02 41.98 2jwx s PHE 88 CO 0.02 -0.83 1.60 0.99 -1.34 0.00 0.00 175.22 175.66 2jwx s THR 89 N -3.87 3.61 0.28 -4.49 2.01 -1.26 -2.63 115.64 109.29 2jwx s THR 89 Ca 0.09 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 2jwx s THR 89 Cb 0.00 -4.19 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 2jwx s THR 89 CO -0.05 -1.01 1.40 -0.22 -0.69 0.00 0.00 174.62 174.06 2jwx s LEU 90 N 7.06 4.39 0.00 4.42 2.96 -1.03 -2.34 118.68 134.14 2jwx s LEU 90 Ca 0.60 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.21 2jwx s LEU 90 Cb -0.13 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2jwx s LEU 90 CO 0.25 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 2jwx n GLY 91 N 1.66 1.40 1.77 7.98 0.00 -1.22 0.91 105.19 117.69 2jwx n GLY 91 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 5.31 -4.26 1.61 2.03 -0.99 -4.91 116.55 115.35 2jwx n ASP 92 Ca 0.00 -2.80 -0.36 0.00 0.52 0.00 0.00 54.79 52.15 2jwx n ASP 92 Cb 0.00 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 39.70 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 -1.45 0.00 -0.04 0.00 1.82 -1.91 -3.44 116.42 111.39 2jwx h ASP 94 Ca -0.60 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2jwx h ASP 94 Cb 1.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.39 2jwx h ASP 94 CO 0.78 0.00 0.00 1.33 -1.61 0.00 0.00 179.24 179.74 2jwx n VAL 95 N -3.00 0.00 -2.67 2.25 0.24 -1.26 -4.95 118.33 108.93 2jwx n VAL 95 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 2jwx n VAL 95 Cb 0.24 0.00 -0.05 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 1.56 4.00 0.53 1.34 -4.36 -1.26 -4.89 121.20 118.11 2jwx s ILE 96 Ca 0.00 1.93 0.25 0.00 -0.26 0.00 0.00 60.65 62.56 2jwx s ILE 96 Cb 0.00 -4.23 0.39 0.00 1.25 0.00 0.00 42.46 39.87 2jwx s ILE 96 CO 0.00 0.43 2.00 -0.61 0.24 0.00 0.00 174.94 176.99 2jwx h GLN 97 N 4.38 0.02 -0.34 0.37 5.75 -1.41 0.14 115.11 124.01 2jwx h GLN 97 Ca -0.45 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.20 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.68 2jwx h GLN 97 CO 0.69 0.01 -0.13 0.00 -2.65 0.00 0.00 178.83 176.75 2jwx h ALA 98 N 1.74 0.16 0.08 3.38 0.00 -0.81 -1.45 119.26 122.35 2jwx h ALA 98 Ca 0.25 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 55.04 2jwx h ALA 98 Cb 0.98 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jwx h ALA 98 CO -0.01 -0.51 -1.11 1.25 0.00 0.00 0.00 179.25 178.87 2jwx h LEU 99 N -0.06 0.41 -0.82 0.00 5.85 -1.07 -1.97 115.31 117.64 2jwx h LEU 99 Ca 0.17 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 2jwx h LEU 99 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jwx h LEU 99 CO -0.39 1.26 -0.38 -0.78 -0.34 0.00 0.00 178.44 177.82 2jwx h ASP 100 N 0.11 0.45 0.43 1.25 3.58 -0.76 -1.69 116.42 119.79 2jwx h ASP 100 Ca -0.10 -0.19 -0.31 0.00 0.42 0.00 0.00 57.03 56.86 2jwx h ASP 100 Cb 1.81 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.70 2jwx h ASP 100 CO 0.18 0.79 -1.72 -0.07 -2.88 0.00 0.00 179.24 175.54 2jwx h LEU 101 N 0.36 0.13 -0.51 2.28 3.38 -1.37 -3.22 115.31 116.36 2jwx h LEU 101 Ca 0.04 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 2jwx h LEU 101 Cb 0.83 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2jwx h LEU 101 CO 0.07 1.24 -0.58 -1.28 0.09 0.00 0.00 178.44 177.98 2jwx h SER 102 N 0.02 0.58 0.26 -0.43 0.87 -0.77 -2.96 113.55 111.11 2jwx h SER 102 Ca -0.30 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2jwx h SER 102 Cb 2.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.78 2jwx h SER 102 CO 0.09 1.03 -0.26 0.58 -0.53 0.00 0.00 176.83 177.74 2jwx h VAL 103 N 0.39 0.44 0.00 2.23 2.07 -1.56 0.16 116.25 119.99 2jwx h VAL 103 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jwx h VAL 103 Cb 1.13 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2jwx h VAL 103 CO 0.11 0.00 -0.02 1.55 0.02 0.00 0.00 177.57 179.23 2jwx h PRO 104 N -0.55 0.00 -0.00 1.57 0.13 -1.71 0.45 132.00 131.89 2jwx h PRO 104 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2jwx h PRO 104 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2jwx h PRO 104 CO -0.06 0.02 -0.21 1.28 -0.23 0.00 0.00 178.00 178.79 2jwx n LEU 105 N -3.35 0.27 -4.75 1.56 4.77 -0.57 -4.70 117.00 110.23 2jwx n LEU 105 Ca -0.03 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 2jwx n LEU 105 Cb 0.12 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2jwx n LEU 105 CO 0.24 0.06 -0.24 0.00 -1.33 0.00 0.00 177.39 176.13 2jwx s MET 106 N -2.91 2.64 0.37 3.23 0.23 0.16 -5.06 119.30 117.96 2jwx s MET 106 Ca 0.15 -1.22 0.07 0.00 -1.03 0.00 0.00 55.69 53.66 2jwx s MET 106 Cb 0.19 -2.38 -0.00 0.00 -1.53 0.00 0.00 34.83 31.10 2jwx s MET 106 CO 0.59 0.38 0.49 -0.51 -2.03 0.00 0.00 175.02 173.94 2jwx s ASP 107 N -3.77 5.80 0.28 -1.18 1.11 -1.26 -4.57 116.67 113.08 2jwx s ASP 107 Ca 0.32 -0.30 -0.29 0.00 0.18 0.00 0.00 52.55 52.46 2jwx s ASP 107 Cb -0.07 -1.00 -0.10 0.00 1.07 0.00 0.00 42.92 42.82 2jwx s ASP 107 CO 0.23 -0.55 1.34 -0.69 1.18 0.00 0.00 175.17 176.68 2jwx s VAL 108 N -2.25 2.80 0.00 -1.27 1.01 -0.56 -2.21 120.40 117.92 2jwx s VAL 108 Ca 0.48 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2jwx s VAL 108 Cb -0.09 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2jwx s VAL 108 CO 0.31 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2jwx n GLY 109 N 1.46 1.04 3.82 4.51 0.00 0.32 -3.68 105.19 112.66 2jwx n GLY 109 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.44 4.25 -0.23 1.61 2.12 -0.94 -4.32 118.70 120.75 2jwx s GLU 110 Ca 0.00 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.41 2jwx s GLU 110 Cb 0.00 -2.32 0.06 0.00 0.26 0.00 0.00 34.13 32.13 2jwx s GLU 110 CO 0.00 0.05 -0.04 0.99 -0.54 0.00 0.00 175.26 175.72 2jwx s THR 111 N -2.06 1.36 -0.07 -1.70 2.01 0.82 -2.39 115.64 113.61 2jwx s THR 111 Ca 0.59 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 61.50 2jwx s THR 111 Cb -0.11 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.73 2jwx s THR 111 CO 0.15 -0.13 -0.19 0.00 -0.69 0.00 0.00 174.62 173.76 2jwx s ALA 112 N 1.47 1.74 -0.32 7.40 0.00 -0.52 -1.51 121.76 130.03 2jwx s ALA 112 Ca -0.05 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 2jwx s ALA 112 Cb -0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2jwx s ALA 112 CO -0.07 0.25 0.43 1.41 0.00 0.00 0.00 175.76 177.79 2jwx s MET 113 N 0.29 3.74 -0.22 0.00 -2.45 -0.54 -0.04 119.30 120.09 2jwx s MET 113 Ca -0.12 -0.14 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 2jwx s MET 113 Cb -0.15 -3.75 -0.00 0.00 1.25 0.00 0.00 34.83 32.17 2jwx s MET 113 CO 0.05 -0.49 -0.05 0.08 1.05 0.00 0.00 175.02 175.67 2jwx s VAL 114 N 2.19 3.30 -0.40 10.11 1.01 1.00 -0.59 120.40 137.03 2jwx s VAL 114 Ca 0.16 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2jwx s VAL 114 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2jwx s VAL 114 CO 0.12 0.41 0.62 0.42 0.00 0.00 0.00 175.10 176.66 2jwx s THR 115 N 1.46 4.88 -0.02 3.92 -4.23 0.10 -0.45 115.64 121.31 2jwx s THR 115 Ca 0.05 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 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 -0.04 -0.44 0.01 0.00 -0.54 0.00 0.00 174.62 173.62 2jwx s ALA 116 N 2.71 0.18 0.82 3.99 0.00 -0.67 -0.00 121.76 128.78 2jwx s ALA 116 Ca 0.23 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 2jwx s ALA 116 Cb -0.14 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2jwx s ALA 116 CO 0.17 -0.07 0.59 -3.47 0.00 0.00 0.00 175.76 172.98 2jwx n ASP 117 N 3.95 -1.15 0.24 0.00 -0.08 -0.80 0.04 116.55 118.76 2jwx n ASP 117 Ca -0.25 0.50 0.10 0.00 -1.51 0.00 0.00 54.79 53.63 2jwx n ASP 117 Cb 0.52 -1.26 0.63 0.00 2.34 0.00 0.00 41.12 43.35 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 -0.87 0.00 0.06 1.67 0.87 -1.53 0.37 113.55 114.13 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 1.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2jwx h SER 118 CO 0.40 0.16 -0.02 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 1.69 116.57 120.72 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 0.02 0.02 -0.12 0.66 -2.00 0.00 0.00 179.45 178.03 2jwx n TYR 120 N -3.70 0.00 0.00 0.07 4.02 0.11 -4.72 117.16 112.95 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 0.10 -0.01 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 -1.21 0.00 0.34 0.00 4.01 0.36 -4.49 117.16 116.16 2jwx n TYR 122 Ca 0.00 -0.18 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 2jwx n TYR 122 Cb 0.00 -0.05 -0.09 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.11 -2.38 2.72 0.00 0.18 0.24 103.07 102.72 2jwx h GLY 123 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2jwx h GLY 123 CO 0.00 -0.38 0.00 -1.55 0.00 0.00 0.00 176.54 174.61 2jwx n PRO 124 N -5.54 2.55 -0.04 4.80 -0.04 -1.26 -4.53 135.00 130.94 2jwx n PRO 124 Ca -0.13 -2.36 -0.05 0.00 -0.04 0.00 0.00 63.50 60.92 2jwx n PRO 124 Cb 0.43 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.52 0.70 -0.87 0.54 6.02 -1.14 -5.13 117.38 119.03 2jwx n GLN 125 Ca 0.20 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jwx n GLN 125 Cb 0.61 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.71 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 3.02 -3.64 3.90 1.08 0.00 0.83 -4.96 105.19 105.43 2jwx n GLY 126 Ca -0.14 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.77 6.45 0.24 1.61 0.15 -1.15 -4.76 113.70 112.47 2jwx s SER 127 Ca 0.00 0.71 -0.13 0.00 0.70 0.00 0.00 55.95 57.23 2jwx s SER 127 Cb 0.00 -2.14 0.32 0.00 -1.71 0.00 0.00 66.02 62.49 2jwx s SER 127 CO 0.00 -0.19 1.58 0.08 1.20 0.00 0.00 173.24 175.91 2jwx h ARG 128 N 1.72 -0.02 0.00 5.44 0.11 -1.98 -3.31 114.38 116.34 2jwx h ARG 128 Ca -0.48 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.39 2jwx h ARG 128 Cb 1.19 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 2jwx h ARG 128 CO 0.66 -0.02 -1.62 0.43 0.10 0.00 0.00 179.97 179.53 2jwx n SER 129 N -5.53 1.59 -4.44 0.08 7.64 -1.26 -4.90 113.62 106.80 2jwx n SER 129 Ca 0.11 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.84 2jwx n SER 129 Cb 0.42 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 2jwx n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2jwx s PRO 130 N -2.51 2.99 -0.25 1.43 0.05 -1.24 -5.02 135.00 130.44 2jwx s PRO 130 Ca -0.27 -0.99 -0.28 0.00 0.05 0.00 0.00 61.00 59.51 2jwx s PRO 130 Cb 0.08 -3.87 -0.05 0.00 0.05 0.00 0.00 34.50 30.72 2jwx s PRO 130 CO 0.35 -0.69 2.19 -0.47 0.05 0.00 0.00 177.00 178.43 2jwx s TYR 131 N 1.64 1.23 -0.23 0.56 5.04 -1.25 -2.95 117.35 121.39 2jwx s TYR 131 Ca 0.04 0.63 -0.29 0.00 -2.44 0.00 0.00 57.07 55.01 2jwx s TYR 131 Cb -0.19 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.20 2jwx s TYR 131 CO 0.09 -3.83 1.11 0.42 -1.34 0.00 0.00 175.55 172.00 2jwx s ILE 132 N 8.47 4.53 -0.50 3.14 -1.09 -1.26 -4.83 121.20 129.66 2jwx s ILE 132 Ca 0.98 1.83 -0.38 0.00 -2.23 0.00 0.00 60.65 60.84 2jwx s ILE 132 Cb -0.30 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.16 2jwx s ILE 132 CO 0.34 -0.23 1.98 -2.65 -1.23 0.00 0.00 174.94 173.15 2jwx n PRO 133 N 6.53 0.00 -1.60 2.79 -0.01 -1.26 -4.35 135.00 137.10 2jwx n PRO 133 Ca 0.13 0.00 -0.47 0.00 -0.01 0.00 0.00 63.50 63.14 2jwx n PRO 133 Cb 0.46 -1.35 -0.03 0.00 -0.01 0.00 0.00 33.50 32.56 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 6.85 1.38 -0.74 0.52 -0.04 -1.26 -0.05 135.00 141.66 2jwx n PRO 134 Ca 0.51 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2jwx n PRO 134 Cb -0.03 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 1.41 0.00 -1.71 0.54 -0.00 -1.26 -4.93 115.22 109.27 2jwx n HIS 135 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 2jwx n HIS 135 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.23 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx s ALA 136 N -3.69 3.17 -0.32 1.57 0.00 0.93 -4.13 121.76 119.30 2jwx s ALA 136 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 2jwx s ALA 136 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2jwx s ALA 136 CO 0.00 -2.15 1.32 0.00 0.00 0.00 0.00 175.76 174.93 2jwx s ALA 137 N 6.20 3.31 0.75 0.00 0.00 -1.26 -1.87 121.76 128.90 2jwx s ALA 137 Ca 0.91 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 2jwx s ALA 137 Cb -0.36 -3.80 0.04 0.00 0.00 0.00 0.00 23.12 19.00 2jwx s ALA 137 CO 0.37 -1.87 1.09 -0.51 0.00 0.00 0.00 175.76 174.84 2jwx s LEU 138 N 4.53 2.77 -0.30 0.00 2.01 0.11 -2.22 118.68 125.58 2jwx s LEU 138 Ca 0.57 1.28 -0.03 0.00 0.01 0.00 0.00 54.13 55.96 2jwx s LEU 138 Cb -0.16 -3.99 0.10 0.00 0.01 0.00 0.00 46.19 42.15 2jwx s LEU 138 CO 0.25 -1.68 0.12 0.00 1.01 0.00 0.00 176.35 176.05 2jwx s LEU 140 N 1.98 2.81 -0.39 0.00 2.34 0.41 -0.38 118.68 125.45 2jwx s LEU 140 Ca 0.09 -0.36 -0.23 0.00 0.06 0.00 0.00 54.13 53.69 2jwx s LEU 140 Cb -0.16 -1.68 0.01 0.00 -0.56 0.00 0.00 46.19 43.80 2jwx s LEU 140 CO -0.34 0.06 0.75 -0.70 -1.06 0.00 0.00 176.35 175.06 2jwx s GLU 141 N 0.98 3.60 0.00 1.48 2.12 -1.08 -0.00 118.70 125.79 2jwx s GLU 141 Ca -0.01 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 2jwx s GLU 141 Cb -0.15 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2jwx s GLU 141 CO -0.00 -0.93 0.09 0.14 -0.54 0.00 0.00 175.26 174.02 2jwx s VAL 142 N 3.08 4.81 -0.26 3.70 -7.23 0.95 -1.94 120.40 123.51 2jwx s VAL 142 Ca 0.29 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2jwx s VAL 142 Cb -0.13 -3.21 0.07 0.00 0.56 0.00 0.00 36.38 33.66 2jwx s VAL 142 CO 0.19 0.33 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.37 2jwx s THR 143 N -1.22 1.80 -0.40 5.32 2.01 0.10 -1.44 115.64 121.81 2jwx s THR 143 Ca 0.24 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 2jwx s THR 143 Cb -0.12 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.35 2jwx s THR 143 CO 0.15 -0.17 0.92 -0.22 -0.69 0.00 0.00 174.62 174.61 2jwx s LEU 144 N 1.25 4.00 -0.05 4.42 0.20 -1.01 -0.36 118.68 127.13 2jwx s LEU 144 Ca -0.04 0.43 0.11 0.00 0.69 0.00 0.00 54.13 55.32 2jwx s LEU 144 Cb -0.19 -3.23 -0.16 0.00 -0.43 0.00 0.00 46.19 42.17 2jwx s LEU 144 CO -0.07 -0.91 0.17 2.29 -0.29 0.00 0.00 176.35 177.53 2jwx n LYS 145 N 6.89 1.12 -3.66 1.98 2.85 -0.97 -0.53 118.16 125.84 2jwx n LYS 145 Ca 0.07 -0.07 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 2jwx n LYS 145 Cb 0.48 -1.28 -0.08 0.00 -0.65 0.00 0.00 35.03 33.50 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 -2.59 -0.00 -0.04 0.58 2.01 -1.24 -4.90 115.64 109.45 2jwx s THR 146 Ca -0.05 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2jwx s THR 146 Cb 0.06 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2jwx s THR 146 CO 0.47 0.00 0.05 0.00 -0.69 0.00 0.00 174.62 174.46 2jwx s ALA 147 N 0.81 0.28 -0.04 7.40 0.00 -1.25 -1.88 121.76 127.08 2jwx s ALA 147 Ca -0.04 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2jwx s ALA 147 Cb -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2jwx s ALA 147 CO -0.06 -0.45 0.11 0.14 0.00 0.00 0.00 175.76 175.50 2jwx s VAL 148 N 2.05 -0.01 0.10 0.00 -7.23 -0.36 -4.73 120.40 110.21 2jwx s VAL 148 Ca 0.04 0.04 -0.31 0.00 -1.81 0.00 0.00 61.98 59.94 2jwx s VAL 148 Cb -0.12 -0.17 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 2jwx s VAL 148 CO -0.03 0.02 1.76 -0.62 -0.31 0.00 0.00 175.10 175.92 2jwx s ASP 149 N 0.31 6.49 0.00 4.85 2.15 -1.26 0.26 116.67 129.47 2jwx s ASP 149 Ca -0.02 2.65 0.02 0.00 0.43 0.00 0.00 52.55 55.63 2jwx s ASP 149 Cb -0.03 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2jwx s ASP 149 CO -0.01 -0.96 0.85 -0.11 -0.17 0.00 0.00 175.17 174.77 2jwx n LEU 150 N 5.69 -0.43 -4.75 -1.34 7.94 -1.15 -4.86 117.00 118.09 2jwx n LEU 150 Ca 0.17 -1.61 -0.32 0.00 -1.11 0.00 0.00 56.01 53.14 2jwx n LEU 150 Cb 0.39 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.43 2jwx n LEU 150 CO 0.64 1.17 0.72 -0.70 -1.11 0.00 0.00 177.39 178.12 2jwx s GLU 151 N 0.00 2.24 -0.68 1.96 -6.30 -0.83 -4.92 118.70 110.16 2jwx s GLU 151 Ca 0.03 1.34 0.01 0.00 -2.50 0.00 0.00 54.97 53.85 2jwx s GLU 151 Cb 0.03 -1.88 0.38 0.00 0.00 0.00 0.00 34.13 32.66 2jwx s GLU 151 CO -0.02 -1.68 1.58 -2.39 0.02 0.00 0.00 175.26 172.78 2jwx n HIS 152 N -3.21 3.21 0.20 5.30 1.44 -1.26 -4.74 115.22 116.16 2jwx n HIS 152 Ca 0.10 -2.76 0.05 0.00 -2.01 0.00 0.00 57.72 53.11 2jwx n HIS 152 Cb 0.52 -0.71 0.42 0.00 0.12 0.00 0.00 29.99 30.34 2jwx n HIS 152 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2jwx h HIS 153 N 2.92 0.00 -1.28 -1.40 2.76 -2.00 -3.49 115.15 112.66 2jwx h HIS 153 Ca 0.43 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.76 2jwx h HIS 153 Cb 0.43 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 2jwx h HIS 153 CO 1.03 0.33 -0.23 0.72 -1.30 0.00 0.00 177.93 178.49 2jwx n HIS 154 N -3.82 -1.44 -4.29 5.26 8.25 -1.26 -4.98 115.22 112.93 2jwx n HIS 154 Ca -0.01 0.72 -0.18 0.00 -0.26 0.00 0.00 57.72 57.99 2jwx n HIS 154 Cb 0.41 -1.31 -0.09 0.00 1.12 0.00 0.00 29.99 30.13 2jwx n HIS 154 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jwx s HIS 155 N -1.61 1.62 0.00 4.41 3.76 -1.26 -4.85 115.29 117.36 2jwx s HIS 155 Ca 0.00 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 2jwx s HIS 155 Cb 0.00 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.95 2jwx s HIS 155 CO 0.00 -0.72 0.00 0.72 -0.85 0.00 0.00 174.74 173.89 2jwx n HIS 156 N -0.57 0.00 -0.92 1.40 8.25 -1.26 -5.31 115.22 116.81 2jwx n HIS 156 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2jwx n HIS 156 Cb 0.64 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2jwx n HIS 156 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56