#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 4.78 0.06 3.03 0.00 -1.26 -4.28 105.19 107.52 2jwx n GLY 2 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2jwx n GLY 2 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jwx h GLN 3 N 0.00 -0.01 -6.44 1.61 4.15 -2.06 -3.42 115.11 108.94 2jwx h GLN 3 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 2jwx h GLN 3 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2jwx h GLN 3 CO 0.00 0.68 0.83 -2.14 -1.93 0.00 0.00 178.83 176.28 2jwx s PRO 4 N -3.41 4.28 0.22 -2.39 0.02 -1.26 -4.95 135.00 127.51 2jwx s PRO 4 Ca -0.17 2.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.61 2jwx s PRO 4 Cb -0.00 -3.48 -0.14 0.00 0.02 0.00 0.00 34.50 30.90 2jwx s PRO 4 CO 0.67 -0.56 1.30 -2.30 -0.33 0.00 0.00 177.00 175.78 2jwx n PRO 5 N 4.98 1.69 -2.12 5.54 -0.02 -1.26 -4.45 135.00 139.36 2jwx n PRO 5 Ca 0.13 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 2jwx n PRO 5 Cb 0.43 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2jwx n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx n ALA 6 N 1.62 -3.41 0.14 3.55 0.00 -1.26 -4.93 120.51 116.22 2jwx n ALA 6 Ca 0.12 1.41 0.01 0.00 0.00 0.00 0.00 53.44 54.98 2jwx n ALA 6 Cb 0.29 -2.76 0.16 0.00 0.00 0.00 0.00 19.45 17.14 2jwx n ALA 6 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jwx h GLU 7 N 2.35 0.00 0.00 0.00 4.11 -1.78 -3.47 114.58 115.79 2jwx h GLU 7 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2jwx h GLU 7 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2jwx h GLU 7 CO 0.01 0.58 0.00 -1.91 0.07 0.00 0.00 179.01 177.76 2jwx n GLU 8 N -3.55 0.00 -4.26 1.06 4.07 -1.26 -5.14 120.64 111.56 2jwx n GLU 8 Ca -0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 2jwx n GLU 8 Cb 0.65 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.87 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jwx s ALA 9 N -1.00 0.75 0.03 4.31 0.00 -1.26 -4.88 121.76 119.71 2jwx s ALA 9 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2jwx s ALA 9 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2jwx s ALA 9 CO 0.00 0.05 0.00 -1.91 0.00 0.00 0.00 175.76 173.90 2jwx n GLU 10 N 3.73 0.00 0.02 0.00 2.13 -1.26 -5.03 120.64 120.23 2jwx n GLU 10 Ca -0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.59 2jwx n GLU 10 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2jwx n GLU 10 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2jwx n GLN 11 N -2.53 0.00 -1.88 5.31 7.27 -1.26 -1.77 117.38 122.52 2jwx n GLN 11 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 2jwx n GLN 11 Cb 0.00 -0.12 -0.07 0.00 2.41 0.00 0.00 30.24 32.46 2jwx n GLN 11 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2jwx n PRO 12 N -2.75 1.39 -4.18 3.69 -0.02 -1.26 -4.35 135.00 127.52 2jwx n PRO 12 Ca 0.00 -2.29 -0.33 0.00 -2.02 0.00 0.00 63.50 58.86 2jwx n PRO 12 Cb 0.10 -3.64 -0.03 0.00 -0.02 0.00 0.00 33.50 29.90 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 5.67 -0.36 2.76 -1.23 0.00 -1.26 -4.87 105.19 105.90 2jwx n GLY 13 Ca 0.45 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.39 5.05 -0.98 4.61 0.00 -1.26 -4.98 120.51 118.56 2jwx n ALA 14 Ca -0.06 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.64 2jwx n ALA 14 Cb 0.56 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jwx n LEU 15 N 0.63 0.00 -4.56 0.00 7.94 -1.26 -4.45 117.00 115.29 2jwx n LEU 15 Ca 0.33 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.80 2jwx n LEU 15 Cb 0.34 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.23 2jwx n LEU 15 CO 0.54 0.00 0.45 0.00 -1.11 0.00 0.00 177.39 177.27 2jwx s ALA 16 N -1.00 3.42 0.33 1.96 0.00 -1.26 -5.01 121.76 120.21 2jwx s ALA 16 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2jwx s ALA 16 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2jwx s ALA 16 CO 0.00 -1.50 0.56 -0.98 0.00 0.00 0.00 175.76 173.85 2jwx s ARG 17 N 2.87 1.92 -0.19 0.00 1.04 -1.26 -4.33 118.95 119.01 2jwx s ARG 17 Ca 0.26 -1.56 -0.11 0.00 -1.04 0.00 0.00 55.73 53.28 2jwx s ARG 17 Cb -0.14 0.50 0.04 0.00 -2.04 0.00 0.00 34.95 33.31 2jwx s ARG 17 CO 0.17 -0.83 0.22 -1.91 -0.04 0.00 0.00 175.30 172.91 2jwx n GLU 18 N -0.52 -4.39 -2.35 3.89 2.13 -0.73 -4.82 120.64 113.86 2jwx n GLU 18 Ca -0.02 3.32 -0.01 0.00 0.66 0.00 0.00 57.16 61.12 2jwx n GLU 18 Cb 0.61 -4.93 -0.01 0.00 0.27 0.00 0.00 31.44 27.38 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2jwx n PHE 19 N 1.66 -2.64 -2.36 4.31 1.16 -0.69 -4.82 117.46 114.07 2jwx n PHE 19 Ca -0.37 1.56 0.00 0.00 -1.87 0.00 0.00 57.45 56.77 2jwx n PHE 19 Cb 0.58 -2.58 0.00 0.00 -1.61 0.00 0.00 39.48 35.86 2jwx n PHE 19 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2jwx n LEU 20 N 1.97 0.00 0.00 5.98 4.77 -1.01 -4.68 117.00 124.03 2jwx n LEU 20 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jwx n LEU 20 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2jwx n LEU 20 CO 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.11 2jwx n ALA 21 N -3.00 0.00 -3.31 -1.18 0.00 -1.26 -2.79 120.51 108.97 2jwx n ALA 21 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2jwx n ALA 21 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx s ALA 22 N 0.00 -1.12 -0.71 0.00 0.00 -1.26 -4.60 121.76 114.08 2jwx s ALA 22 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 2jwx s ALA 22 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2jwx s ALA 22 CO 0.00 -1.86 1.73 -1.64 0.00 0.00 0.00 175.76 173.99 2jwx s MET 23 N 2.28 2.78 0.31 0.00 -1.94 -1.26 -4.40 119.30 117.08 2jwx s MET 23 Ca 0.11 0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.29 2jwx s MET 23 Cb -0.12 -4.50 0.00 0.00 2.01 0.00 0.00 34.83 32.22 2jwx s MET 23 CO -0.24 -2.68 0.00 -1.91 -0.01 0.00 0.00 175.02 170.18 2jwx n GLU 24 N 9.16 0.00 -2.28 2.03 2.13 -1.26 -5.13 120.64 125.29 2jwx n GLU 24 Ca 0.20 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.63 2jwx n GLU 24 Cb 0.51 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2jwx s PRO 25 N -2.00 4.21 -0.06 5.31 0.02 -1.26 -4.99 135.00 136.24 2jwx s PRO 25 Ca 0.00 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.64 2jwx s PRO 25 Cb 0.00 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.65 2jwx s PRO 25 CO 0.00 -0.21 1.07 -2.00 -0.33 0.00 0.00 177.00 175.54 2jwx s GLU 26 N -2.05 4.43 0.60 5.54 2.12 -1.26 -4.87 118.70 123.21 2jwx s GLU 26 Ca 0.53 1.51 -0.17 0.00 0.36 0.00 0.00 54.97 57.21 2jwx s GLU 26 Cb -0.33 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 2jwx s GLU 26 CO 0.42 -0.30 1.09 -1.25 -0.54 0.00 0.00 175.26 174.68 2jwx s PRO 27 N 1.82 3.16 -0.57 4.30 0.04 -1.26 -5.03 135.00 137.46 2jwx s PRO 27 Ca 0.52 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2jwx s PRO 27 Cb -0.21 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.47 2jwx s PRO 27 CO 0.22 -0.97 0.32 0.00 0.04 0.00 0.00 177.00 176.61 2jwx s ALA 28 N -2.21 3.45 -0.16 8.56 0.00 -1.26 -5.00 121.76 125.14 2jwx s ALA 28 Ca 0.67 -3.42 -0.11 0.00 0.00 0.00 0.00 51.96 49.11 2jwx s ALA 28 Cb -0.20 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 2jwx s ALA 28 CO 0.35 -2.04 0.19 -1.25 0.00 0.00 0.00 175.76 173.01 2jwx s PRO 29 N -0.59 4.04 -1.26 0.00 0.04 -1.26 -4.52 135.00 131.45 2jwx s PRO 29 Ca 0.19 -0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.09 2jwx s PRO 29 Cb -0.21 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 30.98 2jwx s PRO 29 CO -0.04 0.40 1.09 0.00 0.04 0.00 0.00 177.00 178.49 2jwx n ALA 30 N 3.14 -1.52 -1.87 8.56 0.00 -1.26 -4.99 120.51 122.57 2jwx n ALA 30 Ca -0.16 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2jwx n ALA 30 Cb 0.53 -4.31 0.18 0.00 0.00 0.00 0.00 19.45 15.84 2jwx n ALA 30 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jwx s PRO 31 N -5.94 0.67 0.53 0.00 0.02 -1.26 -5.06 135.00 123.96 2jwx s PRO 31 Ca 0.37 -0.32 -0.18 0.00 0.02 0.00 0.00 61.00 60.89 2jwx s PRO 31 Cb -0.16 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 2jwx s PRO 31 CO 0.71 -2.41 1.03 0.00 -0.33 0.00 0.00 177.00 176.00 2jwx s ALA 32 N -3.79 2.85 0.00 -1.55 0.00 -1.26 -4.92 121.76 113.10 2jwx s ALA 32 Ca 0.72 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 2jwx s ALA 32 Cb -0.05 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2jwx s ALA 32 CO 0.53 -0.46 1.91 -0.35 0.00 0.00 0.00 175.76 177.39 2jwx n PRO 33 N -1.41 0.98 0.00 0.00 -0.04 -1.24 -4.51 135.00 128.78 2jwx n PRO 33 Ca 0.09 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2jwx n PRO 33 Cb 0.53 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 2.02 0.00 -3.06 0.54 0.28 -1.26 -4.71 120.64 114.45 2jwx n GLU 34 Ca 0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 2jwx n GLU 34 Cb 0.47 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.38 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jwx n GLU 35 N 0.00 -1.80 -1.56 3.44 1.02 -1.26 -4.58 120.64 115.90 2jwx n GLU 35 Ca 0.00 1.00 -0.61 0.00 -0.02 0.00 0.00 57.16 57.53 2jwx n GLU 35 Cb 0.00 -5.49 -0.09 0.00 -0.02 0.00 0.00 31.44 25.85 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2jwx n TRP 36 N -2.66 1.10 -3.49 -0.32 7.02 -1.26 -4.94 117.44 112.89 2jwx n TRP 36 Ca -0.04 1.06 -0.37 0.00 -1.02 0.00 0.00 57.50 57.13 2jwx n TRP 36 Cb 0.58 -2.08 -0.07 0.00 -2.42 0.00 0.00 31.31 27.32 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 1.29 4.23 -0.72 -0.99 2.96 -1.15 -4.93 118.68 119.37 2jwx s LEU 37 Ca 0.94 0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 55.11 2jwx s LEU 37 Cb -1.33 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 42.98 2jwx s LEU 37 CO 0.66 0.06 1.25 -0.62 -1.32 0.00 0.00 176.35 176.37 2jwx s ASP 38 N 0.60 6.18 0.17 3.68 -1.08 -1.26 -2.10 116.67 122.87 2jwx s ASP 38 Ca 0.17 -0.45 -0.22 0.00 -0.52 0.00 0.00 52.55 51.54 2jwx s ASP 38 Cb -0.13 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 38.87 2jwx s ASP 38 CO 0.05 -1.78 1.60 0.40 0.52 0.00 0.00 175.17 175.96 2jwx h ILE 39 N 6.04 0.23 -0.21 4.11 2.04 -0.73 -1.29 117.51 127.70 2jwx h ILE 39 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2jwx h ILE 39 Cb 1.05 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2jwx h ILE 39 CO 1.26 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 179.30 2jwx n LEU 40 N -5.42 3.21 -2.07 1.44 7.94 -1.25 -4.89 117.00 115.96 2jwx n LEU 40 Ca 0.02 -1.24 -0.13 0.00 -1.11 0.00 0.00 56.01 53.56 2jwx n LEU 40 Cb 0.34 -0.12 -0.02 0.00 0.53 0.00 0.00 43.42 44.14 2jwx n LEU 40 CO 0.06 0.62 -0.15 0.61 -1.11 0.00 0.00 177.39 177.41 2jwx n GLY 41 N 1.43 0.10 0.10 -3.96 0.00 -0.49 -4.81 105.19 97.56 2jwx n GLY 41 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2jwx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jwx n ASN 42 N -1.36 0.72 0.00 1.61 2.04 -1.26 -4.95 115.26 112.06 2jwx n ASN 42 Ca -0.15 0.28 0.00 0.00 -0.44 0.00 0.00 54.58 54.28 2jwx n ASN 42 Cb 0.55 0.64 0.00 0.00 -2.53 0.00 0.00 39.78 38.44 2jwx n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jwx n GLY 43 N 1.22 0.95 0.00 4.83 0.00 -1.26 -4.82 105.19 106.12 2jwx n GLY 43 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.01 -3.92 0.99 7.99 -1.26 -4.96 117.00 115.85 2jwx n LEU 44 Ca 0.00 -0.01 -0.30 0.00 -0.01 0.00 0.00 56.01 55.69 2jwx n LEU 44 Cb 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.16 2jwx n LEU 44 CO 0.00 0.00 -0.36 -0.22 -1.51 0.00 0.00 177.39 175.30 2jwx s LEU 45 N -3.71 3.32 0.03 2.23 1.98 -1.23 -2.08 118.68 119.22 2jwx s LEU 45 Ca -0.04 -1.67 0.02 0.00 -2.89 0.00 0.00 54.13 49.55 2jwx s LEU 45 Cb 0.07 -1.27 -0.02 0.00 0.66 0.00 0.00 46.19 45.62 2jwx s LEU 45 CO 0.43 -0.34 -0.06 -0.13 -1.89 0.00 0.00 176.35 174.37 2jwx s ARG 46 N 1.26 0.44 -0.05 1.98 0.52 0.98 0.06 118.95 124.15 2jwx s ARG 46 Ca 0.04 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2jwx s ARG 46 Cb -0.19 -0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.08 2jwx s ARG 46 CO -0.12 0.03 -0.24 0.21 0.02 0.00 0.00 175.30 175.20 2jwx s LYS 47 N -1.36 2.41 -0.17 3.54 2.20 -0.89 -0.30 119.74 125.17 2jwx s LYS 47 Ca -0.10 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.62 2jwx s LYS 47 Cb -0.09 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.15 2jwx s LYS 47 CO -0.00 0.38 -0.09 0.21 -0.36 0.00 0.00 175.35 175.49 2jwx s LYS 48 N -0.18 3.40 -1.00 4.03 2.20 0.99 -2.94 119.74 126.24 2jwx s LYS 48 Ca -0.02 -0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 54.70 2jwx s LYS 48 Cb -0.13 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2jwx s LYS 48 CO 0.03 0.04 1.62 0.95 -0.36 0.00 0.00 175.35 177.64 2jwx s THR 49 N 0.82 3.78 0.06 3.43 -4.23 -1.26 -1.07 115.64 117.18 2jwx s THR 49 Ca -0.03 -0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 59.56 2jwx s THR 49 Cb -0.15 -4.75 -0.12 0.00 1.34 0.00 0.00 72.50 68.82 2jwx s THR 49 CO 0.01 -1.63 1.53 -0.07 -0.54 0.00 0.00 174.62 173.91 2jwx h LEU 50 N 14.39 0.24 -7.67 4.79 3.38 -1.67 -3.30 115.31 125.47 2jwx h LEU 50 Ca 0.18 -0.27 -0.46 0.00 0.09 0.00 0.00 57.88 57.43 2jwx h LEU 50 Cb 1.00 -0.06 -0.36 0.00 0.09 0.00 0.00 40.66 41.33 2jwx h LEU 50 CO 1.36 0.44 -0.78 -0.69 0.09 0.00 0.00 178.44 178.86 2jwx s VAL 51 N -5.15 0.66 0.06 1.22 1.01 -0.67 -4.66 120.40 112.88 2jwx s VAL 51 Ca -0.14 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2jwx s VAL 51 Cb 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2jwx s VAL 51 CO 0.71 0.29 0.11 -2.16 0.00 0.00 0.00 175.10 174.05 2jwx s PRO 52 N 1.45 3.05 0.42 2.72 0.04 -1.26 -0.18 135.00 141.25 2jwx s PRO 52 Ca -0.02 -0.59 -0.26 0.00 0.04 0.00 0.00 61.00 60.17 2jwx s PRO 52 Cb -0.13 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 2jwx s PRO 52 CO -0.03 0.59 1.36 0.20 0.04 0.00 0.00 177.00 179.16 2jwx s GLY 53 N -2.30 2.92 0.49 0.56 0.00 -1.26 -4.74 107.32 102.99 2jwx s GLY 53 Ca 0.29 1.34 -0.24 0.00 0.00 0.00 0.00 44.72 46.12 2jwx s GLY 53 CO 0.22 1.93 1.36 -1.55 0.00 0.00 0.00 173.10 175.06 2jwx n PRO 54 N -0.01 1.91 -0.13 2.90 -0.04 -1.26 -4.38 135.00 133.99 2jwx n PRO 54 Ca 0.04 0.69 -0.03 0.00 -0.04 0.00 0.00 63.50 64.16 2jwx n PRO 54 Cb 0.43 -2.55 -0.01 0.00 -0.04 0.00 0.00 33.50 31.32 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 -0.54 0.00 0.00 0.54 -0.02 -1.26 -1.17 135.00 132.55 2jwx n PRO 55 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2jwx n PRO 55 Cb 0.43 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 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 0.54 2.36 6.65 -1.23 0.00 -1.26 -4.38 105.19 107.86 2jwx n GLY 56 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 3.16 0.00 -3.65 1.61 7.64 -0.31 -3.35 113.62 118.72 2jwx n SER 57 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2jwx n SER 57 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jwx s SER 58 N -4.00 -0.75 -0.43 6.43 0.01 -1.26 -1.71 113.70 111.99 2jwx s SER 58 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2jwx s SER 58 Cb 0.00 1.36 0.12 0.00 0.21 0.00 0.00 66.02 67.70 2jwx s SER 58 CO 0.00 -0.23 0.19 -0.13 0.41 0.00 0.00 173.24 173.48 2jwx s ARG 59 N 0.70 1.90 0.52 12.44 1.81 -1.12 -1.12 118.95 134.08 2jwx s ARG 59 Ca -0.03 -2.03 -0.20 0.00 -1.72 0.00 0.00 55.73 51.75 2jwx s ARG 59 Cb -0.05 -3.45 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 2jwx s ARG 59 CO -0.05 -1.05 1.13 -1.25 -0.68 0.00 0.00 175.30 173.40 2jwx s PRO 60 N 0.72 3.47 0.06 3.54 0.04 -1.26 -4.11 135.00 137.46 2jwx s PRO 60 Ca 0.11 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2jwx s PRO 60 Cb -0.22 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2jwx s PRO 60 CO -0.05 -0.76 0.08 0.08 0.04 0.00 0.00 177.00 176.40 2jwx s VAL 61 N -1.75 4.59 -0.31 -0.36 1.01 -1.26 -4.29 120.40 118.03 2jwx s VAL 61 Ca 0.71 -0.68 -0.34 0.00 0.00 0.00 0.00 61.98 61.67 2jwx s VAL 61 Cb -0.24 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 2jwx s VAL 61 CO 0.27 0.18 2.19 0.29 0.00 0.00 0.00 175.10 178.03 2jwx n LYS 62 N 0.62 1.29 0.00 2.72 4.01 -1.26 -1.03 118.16 124.52 2jwx n LYS 62 Ca -0.09 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 2jwx n LYS 62 Cb 0.52 -2.63 0.00 0.00 -0.51 0.00 0.00 35.03 32.40 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 6.32 0.55 3.77 0.72 0.00 0.20 -4.72 105.19 112.02 2jwx n GLY 63 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 4.03 -0.17 1.61 -1.52 -0.20 -2.13 119.66 121.29 2jwx s GLN 64 Ca 0.00 -0.13 -0.29 0.00 -1.95 0.00 0.00 55.36 52.99 2jwx s GLN 64 Cb 0.00 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 2jwx s GLN 64 CO 0.00 0.41 1.66 0.08 -0.25 0.00 0.00 175.29 177.19 2jwx s VAL 65 N 0.03 3.62 -0.09 1.09 1.01 0.16 -2.43 120.40 123.78 2jwx s VAL 65 Ca 0.11 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.85 2jwx s VAL 65 Cb -0.12 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2jwx s VAL 65 CO 0.01 -0.21 -0.23 0.68 0.00 0.00 0.00 175.10 175.35 2jwx s VAL 66 N 5.02 2.15 -0.41 2.92 -7.23 -1.07 -1.46 120.40 120.32 2jwx s VAL 66 Ca 0.74 -1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 2jwx s VAL 66 Cb -0.28 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.86 2jwx s VAL 66 CO 0.30 0.56 0.67 0.42 -0.31 0.00 0.00 175.10 176.74 2jwx s THR 67 N 0.22 4.81 -0.14 5.32 -4.23 -0.79 -2.37 115.64 118.46 2jwx s THR 67 Ca -0.15 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 2jwx s THR 67 Cb -0.17 -4.18 0.01 0.00 1.34 0.00 0.00 72.50 69.50 2jwx s THR 67 CO 0.07 -0.51 -0.22 0.68 -0.54 0.00 0.00 174.62 174.11 2jwx s VAL 68 N 2.88 2.08 -0.33 2.29 -7.23 0.89 -2.10 120.40 118.88 2jwx s VAL 68 Ca 0.25 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 59.19 2jwx s VAL 68 Cb -0.14 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.98 2jwx s VAL 68 CO 0.18 0.55 0.91 -2.28 -0.31 0.00 0.00 175.10 174.15 2jwx s HIS 69 N 0.84 3.16 0.02 2.82 2.46 0.25 0.32 115.29 125.15 2jwx s HIS 69 Ca -0.06 0.92 0.07 0.00 0.47 0.00 0.00 55.06 56.45 2jwx s HIS 69 Cb -0.15 -3.47 -0.02 0.00 -0.13 0.00 0.00 32.58 28.80 2jwx s HIS 69 CO -0.02 -0.69 -0.21 -0.48 -2.47 0.00 0.00 174.74 170.86 2jwx s LEU 70 N 3.30 2.11 -0.20 8.88 2.34 -0.95 0.18 118.68 134.35 2jwx s LEU 70 Ca 0.38 -0.46 -0.03 0.00 0.06 0.00 0.00 54.13 54.08 2jwx s LEU 70 Cb -0.13 -1.05 0.06 0.00 -0.56 0.00 0.00 46.19 44.51 2jwx s LEU 70 CO 0.15 0.22 0.03 -1.10 -1.06 0.00 0.00 176.35 174.58 2jwx s GLN 71 N -0.86 0.73 -0.15 1.48 1.11 -0.96 -0.25 119.66 120.75 2jwx s GLN 71 Ca 0.08 -0.46 -0.12 0.00 0.01 0.00 0.00 55.36 54.87 2jwx s GLN 71 Cb -0.09 -2.15 -0.05 0.00 -1.01 0.00 0.00 33.01 29.72 2jwx s GLN 71 CO 0.01 -0.64 0.23 0.99 0.01 0.00 0.00 175.29 175.89 2jwx s THR 72 N 1.82 5.35 0.08 -0.19 2.01 -0.56 -2.66 115.64 121.50 2jwx s THR 72 Ca -0.01 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.47 2jwx s THR 72 Cb -0.17 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2jwx s THR 72 CO -0.08 0.46 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.66 2jwx s SER 73 N 0.02 2.59 1.02 3.53 0.01 -0.07 -0.06 113.70 120.73 2jwx s SER 73 Ca 0.14 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 2jwx s SER 73 Cb -0.13 -0.17 0.20 0.00 0.21 0.00 0.00 66.02 66.14 2jwx s SER 73 CO 0.03 0.10 1.08 -0.22 0.41 0.00 0.00 173.24 174.64 2jwx s LEU 74 N -1.67 1.70 0.59 2.44 1.98 0.16 -0.30 118.68 123.57 2jwx s LEU 74 Ca 0.07 1.58 0.31 0.00 -2.89 0.00 0.00 54.13 53.20 2jwx s LEU 74 Cb -0.10 -3.76 1.83 0.00 0.66 0.00 0.00 46.19 44.82 2jwx s LEU 74 CO 0.04 -3.41 2.24 1.05 -1.89 0.00 0.00 176.35 174.37 2jwx h GLU 75 N -2.08 0.00 0.00 1.98 4.11 -1.23 0.45 114.58 117.81 2jwx h GLU 75 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.89 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 0.51 0.02 0.00 -1.71 0.07 0.00 0.00 179.01 177.90 2jwx n ASN 76 N -3.74 0.61 0.00 3.06 5.15 -1.26 -4.92 115.26 114.16 2jwx n ASN 76 Ca -0.03 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 2jwx n ASN 76 Cb 0.11 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jwx n GLY 77 N 1.31 1.21 3.59 8.20 0.00 0.16 -5.05 105.19 114.61 2jwx n GLY 77 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 3.60 -0.29 2.61 2.01 -1.26 -4.42 115.64 115.74 2jwx s THR 78 Ca 0.00 0.58 -0.32 0.00 0.31 0.00 0.00 61.69 62.26 2jwx s THR 78 Cb 0.00 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 2jwx s THR 78 CO 0.00 -0.62 2.21 -1.14 -0.69 0.00 0.00 174.62 174.39 2jwx n ARG 79 N 8.44 1.47 0.01 4.92 3.00 -1.26 0.37 116.66 133.61 2jwx n ARG 79 Ca 0.20 0.39 0.11 0.00 -0.00 0.00 0.00 57.85 58.55 2jwx n ARG 79 Cb 0.48 -2.83 -0.03 0.00 0.00 0.00 0.00 32.46 30.09 2jwx n ARG 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jwx n VAL 80 N 7.48 0.10 -3.52 5.15 0.24 0.91 -4.93 118.33 123.74 2jwx n VAL 80 Ca 0.36 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.33 2jwx n VAL 80 Cb 0.33 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 2jwx n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jwx s GLN 81 N -3.18 1.15 -0.27 7.34 1.03 -1.11 -4.62 119.66 120.00 2jwx s GLN 81 Ca 0.03 -0.44 -0.01 0.00 0.04 0.00 0.00 55.36 54.99 2jwx s GLN 81 Cb 0.15 0.52 0.15 0.00 0.03 0.00 0.00 33.01 33.86 2jwx s GLN 81 CO 0.83 -0.46 0.39 -2.00 -2.54 0.00 0.00 175.29 171.51 2jwx s GLU 82 N -3.31 0.38 -0.34 9.60 2.12 -1.26 -1.50 118.70 124.38 2jwx s GLU 82 Ca -0.01 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 2jwx s GLU 82 Cb -0.00 -0.40 0.09 0.00 0.26 0.00 0.00 34.13 34.08 2jwx s GLU 82 CO -0.09 -0.82 0.07 -1.21 -0.54 0.00 0.00 175.26 172.68 2jwx s GLU 83 N 2.54 2.01 -1.06 4.30 0.41 0.65 -4.98 118.70 122.56 2jwx s GLU 83 Ca 0.11 -1.63 -0.23 0.00 -0.41 0.00 0.00 54.97 52.82 2jwx s GLU 83 Cb -0.14 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 28.89 2jwx s GLU 83 CO -0.22 -0.86 1.83 -1.25 -0.49 0.00 0.00 175.26 174.26 2jwx s PRO 84 N 1.10 2.92 0.00 0.39 0.05 -1.26 -2.23 135.00 135.97 2jwx s PRO 84 Ca 0.03 -0.94 0.00 0.00 0.05 0.00 0.00 61.00 60.14 2jwx s PRO 84 Cb -0.21 -5.24 0.00 0.00 0.05 0.00 0.00 34.50 29.11 2jwx s PRO 84 CO -0.04 -3.20 0.00 0.39 0.05 0.00 0.00 177.00 174.19 2jwx n GLU 85 N 8.62 0.00 -4.05 4.56 4.71 -1.26 -4.97 120.64 128.25 2jwx n GLU 85 Ca 0.42 0.05 -0.32 0.00 -0.01 0.00 0.00 57.16 57.29 2jwx n GLU 85 Cb 0.47 -0.09 -0.15 0.00 -1.01 0.00 0.00 31.44 30.67 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 0.00 3.42 -0.08 -4.62 2.96 0.15 -4.84 118.68 115.67 2jwx s LEU 86 Ca 0.00 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 2jwx s LEU 86 Cb 0.00 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2jwx s LEU 86 CO 0.00 -0.19 -0.08 0.54 -1.32 0.00 0.00 176.35 175.30 2jwx s VAL 87 N 1.14 3.55 0.19 1.68 0.11 -1.24 -0.07 120.40 125.76 2jwx s VAL 87 Ca -0.07 -0.52 -0.17 0.00 -2.93 0.00 0.00 61.98 58.28 2jwx s VAL 87 Cb -0.19 -2.46 0.03 0.00 -1.53 0.00 0.00 36.38 32.22 2jwx s VAL 87 CO -0.05 0.57 0.52 0.72 -3.33 0.00 0.00 175.10 173.53 2jwx s PHE 88 N -0.49 -0.11 -0.50 1.54 -0.71 -1.00 -4.96 117.98 111.74 2jwx s PHE 88 Ca 0.07 -0.23 -0.28 0.00 -1.04 0.00 0.00 56.93 55.45 2jwx s PHE 88 Cb -0.12 0.38 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 2jwx s PHE 88 CO 0.02 -0.91 1.42 0.99 -1.34 0.00 0.00 175.22 175.40 2jwx s THR 89 N -3.87 3.83 0.38 -4.49 2.01 -1.26 -2.59 115.64 109.65 2jwx s THR 89 Ca 0.09 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.61 2jwx s THR 89 Cb -0.01 -4.33 -0.11 0.00 0.01 0.00 0.00 72.50 68.06 2jwx s THR 89 CO -0.03 -0.99 1.12 -0.11 -0.69 0.00 0.00 174.62 173.92 2jwx n LEU 90 N 9.31 2.98 -0.11 4.42 7.94 -1.02 -2.40 117.00 138.13 2jwx n LEU 90 Ca 0.14 1.11 -0.01 0.00 -1.11 0.00 0.00 56.01 56.14 2jwx n LEU 90 Cb 0.49 -1.40 -0.01 0.00 0.53 0.00 0.00 43.42 43.03 2jwx n LEU 90 CO 0.71 -1.09 -0.01 0.61 -1.11 0.00 0.00 177.39 176.49 2jwx n GLY 91 N 1.03 0.34 0.80 -3.96 0.00 -1.23 0.58 105.19 102.74 2jwx n GLY 91 Ca 0.08 -0.06 0.09 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 -0.49 2.82 -4.21 1.61 2.03 -1.01 -4.87 116.55 112.43 2jwx n ASP 92 Ca -0.01 -1.83 -0.33 0.00 0.52 0.00 0.00 54.79 53.14 2jwx n ASP 92 Cb 0.30 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.56 0.00 0.00 0.00 3.58 -1.93 -3.43 116.42 113.08 2jwx h ASP 94 Ca -0.61 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2jwx h ASP 94 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2jwx h ASP 94 CO 0.74 0.00 0.00 1.33 -2.88 0.00 0.00 179.24 178.43 2jwx n VAL 95 N -3.05 0.00 -2.67 2.25 0.24 -1.26 -5.00 118.33 108.85 2jwx n VAL 95 Ca -0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2jwx n VAL 95 Cb 0.24 0.00 -0.06 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 2.22 3.92 0.54 1.34 -4.36 -1.26 -4.91 121.20 118.68 2jwx s ILE 96 Ca 0.00 1.84 0.26 0.00 -0.26 0.00 0.00 60.65 62.49 2jwx s ILE 96 Cb 0.00 -4.13 0.40 0.00 1.25 0.00 0.00 42.46 39.97 2jwx s ILE 96 CO 0.00 0.37 1.99 -0.61 0.24 0.00 0.00 174.94 176.93 2jwx h GLN 97 N 3.78 0.00 -0.34 0.37 5.75 -1.22 0.88 115.11 124.33 2jwx h GLN 97 Ca -0.46 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.11 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 0.67 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.71 2jwx h ALA 98 N 1.71 0.15 0.00 3.38 0.00 -1.25 -2.10 119.26 121.15 2jwx h ALA 98 Ca 0.24 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 2jwx h ALA 98 Cb 1.01 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2jwx h ALA 98 CO -0.00 -0.51 -0.86 1.25 0.00 0.00 0.00 179.25 179.12 2jwx h LEU 99 N -0.07 0.00 -0.68 0.00 5.85 -1.14 -2.08 115.31 117.19 2jwx h LEU 99 Ca 0.17 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 2jwx h LEU 99 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jwx h LEU 99 CO -0.39 0.86 -0.50 -0.78 -0.34 0.00 0.00 178.44 177.30 2jwx h ASP 100 N 0.00 0.45 0.45 1.25 3.58 -0.93 -2.59 116.42 118.62 2jwx h ASP 100 Ca -0.01 -0.22 -0.30 0.00 0.42 0.00 0.00 57.03 56.92 2jwx h ASP 100 Cb 1.62 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.49 2jwx h ASP 100 CO 0.11 0.87 -1.74 0.18 -2.88 0.00 0.00 179.24 175.78 2jwx n LEU 101 N -3.97 1.07 -0.10 2.28 4.77 -0.82 -3.56 117.00 116.66 2jwx n LEU 101 Ca -0.02 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2jwx n LEU 101 Cb 0.56 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2jwx n LEU 101 CO 0.45 0.44 0.55 0.77 -1.33 0.00 0.00 177.39 178.26 2jwx h SER 102 N 0.01 0.95 0.22 -1.43 4.64 -1.11 -2.90 113.55 113.93 2jwx h SER 102 Ca -0.30 -0.44 0.01 0.00 -0.47 0.00 0.00 61.79 60.59 2jwx h SER 102 Cb 2.02 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.82 2jwx h SER 102 CO 0.08 1.23 -0.27 0.58 -0.87 0.00 0.00 176.83 177.58 2jwx h VAL 103 N 0.72 0.42 0.00 0.95 2.07 -1.70 0.56 116.25 119.27 2jwx h VAL 103 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2jwx h VAL 103 Cb 0.98 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2jwx h VAL 103 CO 0.10 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.24 2jwx h PRO 104 N -0.54 0.00 -0.01 1.57 0.13 -1.74 0.43 132.00 131.84 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 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2jwx h PRO 104 CO -0.09 0.00 -0.33 1.28 -0.23 0.00 0.00 178.00 178.63 2jwx n LEU 105 N -2.31 0.85 -4.78 1.56 4.77 -0.44 -4.59 117.00 112.07 2jwx n LEU 105 Ca 0.00 -0.18 -0.22 0.00 -0.03 0.00 0.00 56.01 55.59 2jwx n LEU 105 Cb 0.14 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2jwx n LEU 105 CO 0.16 0.17 -0.19 0.00 -1.33 0.00 0.00 177.39 176.19 2jwx s MET 106 N -2.65 2.69 0.22 3.23 0.23 0.15 -4.89 119.30 118.27 2jwx s MET 106 Ca 0.20 -1.23 0.03 0.00 -1.03 0.00 0.00 55.69 53.66 2jwx s MET 106 Cb 0.19 -2.42 -0.03 0.00 -1.53 0.00 0.00 34.83 31.04 2jwx s MET 106 CO 0.57 0.31 0.36 -0.51 -2.03 0.00 0.00 175.02 173.72 2jwx s ASP 107 N -3.83 6.33 0.13 -1.18 1.11 -1.26 -4.48 116.67 113.48 2jwx s ASP 107 Ca 0.34 0.17 -0.31 0.00 0.18 0.00 0.00 52.55 52.93 2jwx s ASP 107 Cb -0.07 -1.91 -0.10 0.00 1.07 0.00 0.00 42.92 41.92 2jwx s ASP 107 CO 0.24 -0.05 1.66 -0.69 1.18 0.00 0.00 175.17 177.51 2jwx s VAL 108 N -1.93 2.67 0.00 -1.27 1.01 -0.27 -1.64 120.40 118.97 2jwx s VAL 108 Ca 0.35 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2jwx s VAL 108 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2jwx s VAL 108 CO 0.29 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2jwx n GLY 109 N 3.95 0.42 3.84 4.51 0.00 0.65 -4.46 105.19 114.11 2jwx n GLY 109 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2jwx n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jwx s GLU 110 N -0.96 3.98 -0.21 1.61 2.12 -0.65 -4.39 118.70 120.21 2jwx s GLU 110 Ca 0.00 0.91 -0.00 0.00 0.36 0.00 0.00 54.97 56.24 2jwx s GLU 110 Cb 0.00 -2.19 0.06 0.00 0.26 0.00 0.00 34.13 32.25 2jwx s GLU 110 CO 0.00 -0.17 -0.03 0.99 -0.54 0.00 0.00 175.26 175.51 2jwx s THR 111 N -2.47 1.18 -0.04 -1.70 2.01 0.75 -2.62 115.64 112.75 2jwx s THR 111 Ca 0.58 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.73 2jwx s THR 111 Cb -0.10 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2jwx s THR 111 CO 0.27 -0.08 -0.23 0.00 -0.69 0.00 0.00 174.62 173.89 2jwx s ALA 112 N 1.57 1.97 -0.29 7.40 0.00 -0.66 -1.67 121.76 130.08 2jwx s ALA 112 Ca -0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 2jwx s ALA 112 Cb -0.18 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2jwx s ALA 112 CO -0.07 0.42 0.39 1.41 0.00 0.00 0.00 175.76 177.91 2jwx s MET 113 N -0.31 3.93 -0.21 0.00 -2.45 -0.23 -0.40 119.30 119.62 2jwx s MET 113 Ca 0.02 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 54.43 2jwx s MET 113 Cb -0.11 -3.69 0.02 0.00 1.25 0.00 0.00 34.83 32.30 2jwx s MET 113 CO 0.01 -0.34 -0.13 0.08 1.05 0.00 0.00 175.02 175.70 2jwx s VAL 114 N 2.10 2.54 -0.36 10.11 1.01 0.66 -0.00 120.40 136.45 2jwx s VAL 114 Ca 0.15 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 2jwx s VAL 114 Cb -0.16 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 2jwx s VAL 114 CO 0.10 0.39 0.48 0.42 0.00 0.00 0.00 175.10 176.49 2jwx s THR 115 N 1.32 5.05 -0.04 3.92 -4.23 0.59 -0.64 115.64 121.61 2jwx s THR 115 Ca 0.03 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 2jwx s THR 115 Cb -0.15 -3.96 0.01 0.00 1.34 0.00 0.00 72.50 69.75 2jwx s THR 115 CO -0.08 -0.24 -0.08 0.00 -0.54 0.00 0.00 174.62 173.68 2jwx s ALA 116 N 2.30 0.83 0.75 3.99 0.00 -0.76 -0.01 121.76 128.87 2jwx s ALA 116 Ca 0.16 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 2jwx s ALA 116 Cb -0.16 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2jwx s ALA 116 CO 0.13 0.08 0.90 -3.47 0.00 0.00 0.00 175.76 173.41 2jwx n ASP 117 N 3.62 0.12 0.28 0.00 -0.08 -0.88 0.19 116.55 119.79 2jwx n ASP 117 Ca -0.21 0.62 0.12 0.00 -1.51 0.00 0.00 54.79 53.80 2jwx n ASP 117 Cb 0.53 -1.38 0.79 0.00 2.34 0.00 0.00 41.12 43.39 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 -0.49 0.00 -0.00 1.67 0.02 -0.94 0.50 113.55 114.31 2jwx h SER 118 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2jwx h SER 118 Cb 1.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 2jwx h SER 118 CO 0.45 0.02 0.00 0.07 -1.14 0.00 0.00 176.83 176.23 2jwx h LYS 119 N 0.00 0.00 -0.01 3.45 2.10 -1.88 1.70 116.57 121.93 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 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2jwx h LYS 119 CO 0.00 0.00 -0.30 0.66 -2.00 0.00 0.00 179.45 177.81 2jwx n TYR 120 N -3.09 0.00 0.00 0.07 4.02 0.15 -4.75 117.16 113.56 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 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.58 0.00 0.05 0.00 4.01 0.26 -4.57 117.16 115.33 2jwx n TYR 122 Ca 0.00 -0.19 -0.02 0.00 -0.16 0.00 0.00 57.90 57.52 2jwx n TYR 122 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 2jwx n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jwx h GLY 123 N 0.30 -0.45 -0.96 2.72 0.00 0.19 -0.10 103.07 104.78 2jwx h GLY 123 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2jwx h GLY 123 CO 0.03 -0.16 0.00 -1.55 0.00 0.00 0.00 176.54 174.86 2jwx n PRO 124 N -2.55 1.66 -0.03 4.80 -0.04 -1.26 -4.44 135.00 133.13 2jwx n PRO 124 Ca -0.02 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.36 2jwx n PRO 124 Cb 0.06 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.30 0.16 -0.57 0.54 6.02 -1.15 -5.13 117.38 117.54 2jwx n GLN 125 Ca 0.11 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2jwx n GLN 125 Cb 0.25 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 2.82 -3.50 3.94 1.08 0.00 -0.06 -4.98 105.19 104.49 2jwx n GLY 126 Ca -0.13 -1.03 -0.24 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 -2.81 6.04 0.15 1.61 0.15 -1.17 -4.82 113.70 112.85 2jwx s SER 127 Ca 0.00 0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.86 2jwx s SER 127 Cb 0.00 -1.79 0.03 0.00 -1.71 0.00 0.00 66.02 62.56 2jwx s SER 127 CO 0.00 -0.54 1.66 0.08 1.20 0.00 0.00 173.24 175.64 2jwx h ARG 128 N 0.51 -0.10 0.00 5.44 0.11 -1.97 -3.34 114.38 115.02 2jwx h ARG 128 Ca -0.48 0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.54 2jwx h ARG 128 Cb 1.24 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2jwx h ARG 128 CO 0.59 -0.07 -1.15 0.43 0.10 0.00 0.00 179.97 179.87 2jwx n SER 129 N -5.31 1.92 -4.42 0.08 7.64 -1.26 -4.90 113.62 107.37 2jwx n SER 129 Ca -0.00 0.38 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 2jwx n SER 129 Cb 0.22 -0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 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 -2.73 3.03 -0.20 1.43 0.05 -1.25 -5.03 135.00 130.31 2jwx s PRO 130 Ca -0.28 -0.94 -0.28 0.00 0.05 0.00 0.00 61.00 59.55 2jwx s PRO 130 Cb 0.05 -3.72 -0.05 0.00 0.05 0.00 0.00 34.50 30.83 2jwx s PRO 130 CO 0.41 -0.61 2.18 -0.47 0.05 0.00 0.00 177.00 178.56 2jwx s TYR 131 N 1.60 1.20 -0.24 0.56 5.04 -1.25 -3.06 117.35 121.19 2jwx s TYR 131 Ca 0.03 0.45 -0.29 0.00 -2.44 0.00 0.00 57.07 54.83 2jwx s TYR 131 Cb -0.18 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.17 2jwx s TYR 131 CO 0.07 -4.18 1.03 0.42 -1.34 0.00 0.00 175.55 171.55 2jwx s ILE 132 N 7.91 4.67 -0.63 3.14 -1.09 -1.26 -4.83 121.20 129.11 2jwx s ILE 132 Ca 0.99 1.94 -0.36 0.00 -2.23 0.00 0.00 60.65 60.99 2jwx s ILE 132 Cb -0.33 -4.31 -0.18 0.00 -1.58 0.00 0.00 42.46 36.05 2jwx s ILE 132 CO 0.36 -0.21 2.15 -2.65 -1.23 0.00 0.00 174.94 173.35 2jwx n PRO 133 N 6.37 0.00 -1.58 2.79 -0.01 -1.26 -4.40 135.00 136.91 2jwx n PRO 133 Ca 0.11 0.00 -0.49 0.00 -0.01 0.00 0.00 63.50 63.11 2jwx n PRO 133 Cb 0.46 -1.37 -0.04 0.00 -0.01 0.00 0.00 33.50 32.54 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 7.21 1.16 -1.00 0.52 -0.04 -1.26 -0.40 135.00 141.19 2jwx n PRO 134 Ca 0.54 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 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 0.72 -0.04 0.00 0.00 175.50 176.18 2jwx n HIS 135 N 1.61 0.00 -2.19 0.54 8.25 -1.26 -4.92 115.22 117.25 2jwx n HIS 135 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 2jwx n HIS 135 Cb 0.24 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jwx s ALA 136 N -2.54 3.58 -0.36 -1.41 0.00 0.47 -4.36 121.76 117.13 2jwx s ALA 136 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 2jwx s ALA 136 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2jwx s ALA 136 CO 0.00 -0.76 1.25 0.00 0.00 0.00 0.00 175.76 176.24 2jwx s ALA 137 N 1.75 3.29 0.69 0.00 0.00 -1.26 -0.43 121.76 125.79 2jwx s ALA 137 Ca 0.65 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2jwx s ALA 137 Cb -0.34 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2jwx s ALA 137 CO 0.29 -1.93 1.07 -0.51 0.00 0.00 0.00 175.76 174.67 2jwx s LEU 138 N 4.45 3.00 -0.27 0.00 1.43 0.13 -0.71 118.68 126.71 2jwx s LEU 138 Ca 0.53 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 2jwx s LEU 138 Cb -0.13 -4.17 0.09 0.00 0.03 0.00 0.00 46.19 42.01 2jwx s LEU 138 CO 0.25 -1.26 0.12 0.00 0.23 0.00 0.00 176.35 175.69 2jwx s LEU 140 N 2.05 3.02 -0.38 0.00 2.34 0.18 -0.89 118.68 125.00 2jwx s LEU 140 Ca 0.08 -0.24 -0.20 0.00 0.06 0.00 0.00 54.13 53.83 2jwx s LEU 140 Cb -0.16 -1.72 0.01 0.00 -0.56 0.00 0.00 46.19 43.75 2jwx s LEU 140 CO -0.32 0.13 0.60 -0.70 -1.06 0.00 0.00 176.35 175.01 2jwx s GLU 141 N 0.58 3.54 0.02 1.48 2.12 -1.09 -0.25 118.70 125.12 2jwx s GLU 141 Ca -0.04 -0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.17 2jwx s GLU 141 Cb -0.15 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2jwx s GLU 141 CO 0.03 -0.79 0.06 0.14 -0.54 0.00 0.00 175.26 174.15 2jwx s VAL 142 N 2.65 4.50 -0.26 3.70 -7.23 0.46 -2.27 120.40 121.94 2jwx s VAL 142 Ca 0.22 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2jwx s VAL 142 Cb -0.15 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.79 2jwx s VAL 142 CO 0.16 0.29 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.30 2jwx s THR 143 N -1.22 1.83 -0.24 5.32 2.01 0.13 -1.66 115.64 121.81 2jwx s THR 143 Ca 0.24 -1.56 -0.24 0.00 0.31 0.00 0.00 61.69 60.45 2jwx s THR 143 Cb -0.12 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2jwx s THR 143 CO 0.15 -0.19 0.78 -0.22 -0.69 0.00 0.00 174.62 174.45 2jwx s LEU 144 N 1.23 4.08 -0.01 4.42 0.20 -1.08 -0.58 118.68 126.94 2jwx s LEU 144 Ca -0.03 0.97 0.03 0.00 0.69 0.00 0.00 54.13 55.79 2jwx s LEU 144 Cb -0.19 -3.11 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 2jwx s LEU 144 CO -0.07 -0.47 0.07 2.29 -0.29 0.00 0.00 176.35 177.88 2jwx n LYS 145 N 5.86 0.72 -3.66 1.98 2.85 -0.89 -0.26 118.16 124.76 2jwx n LYS 145 Ca 0.04 -0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 2jwx n LYS 145 Cb 0.48 -1.08 -0.08 0.00 -0.65 0.00 0.00 35.03 33.70 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 -2.22 -0.00 -0.08 0.58 2.01 -1.24 -4.83 115.64 109.85 2jwx s THR 146 Ca -0.01 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 2jwx s THR 146 Cb 0.02 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.70 2jwx s THR 146 CO 0.15 0.00 0.17 0.00 -0.69 0.00 0.00 174.62 174.25 2jwx s ALA 147 N 0.74 -0.25 -0.06 7.40 0.00 -1.25 -1.88 121.76 126.46 2jwx s ALA 147 Ca -0.03 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2jwx s ALA 147 Cb -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2jwx s ALA 147 CO -0.05 -0.44 0.21 0.14 0.00 0.00 0.00 175.76 175.62 2jwx s VAL 148 N 1.93 0.02 -0.07 0.00 -7.23 -0.54 -4.67 120.40 109.85 2jwx s VAL 148 Ca -0.01 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2jwx s VAL 148 Cb -0.12 -0.37 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 2jwx s VAL 148 CO -0.06 -0.11 1.83 1.51 -0.31 0.00 0.00 175.10 177.96 2jwx s ASP 149 N -0.36 6.39 0.00 4.85 -4.77 -1.26 0.35 116.67 121.88 2jwx s ASP 149 Ca -0.05 2.25 0.00 0.00 -3.30 0.00 0.00 52.55 51.46 2jwx s ASP 149 Cb -0.03 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 2jwx s ASP 149 CO 0.01 -1.15 0.39 -0.11 0.70 0.00 0.00 175.17 175.00 2jwx n LEU 150 N 8.06 0.00 -4.78 2.11 -0.00 -1.19 -4.87 117.00 116.32 2jwx n LEU 150 Ca 0.20 -0.23 -0.38 0.00 -0.00 0.00 0.00 56.01 55.61 2jwx n LEU 150 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.78 2jwx n LEU 150 CO 0.65 0.18 0.63 -0.70 -0.00 0.00 0.00 177.39 178.16 2jwx s GLU 151 N 0.00 4.63 -0.00 1.96 -6.30 -0.90 -4.93 118.70 113.15 2jwx s GLU 151 Ca 0.00 1.33 0.21 0.00 -2.50 0.00 0.00 54.97 54.02 2jwx s GLU 151 Cb 0.00 -2.92 -0.21 0.00 0.00 0.00 0.00 34.13 31.00 2jwx s GLU 151 CO 0.00 0.35 0.89 0.72 0.02 0.00 0.00 175.26 177.23 2jwx n HIS 152 N 0.80 0.00 -4.46 5.30 8.25 -1.26 -4.96 115.22 118.89 2jwx n HIS 152 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 2jwx n HIS 152 Cb 0.49 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 2jwx n HIS 152 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jwx s HIS 153 N -3.04 1.76 0.00 4.41 3.76 -1.26 -5.04 115.29 115.88 2jwx s HIS 153 Ca 0.07 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.65 2jwx s HIS 153 Cb 0.16 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.78 2jwx s HIS 153 CO 0.87 -0.39 0.56 0.72 -0.85 0.00 0.00 174.74 175.65 2jwx n HIS 154 N -0.82 0.00 -4.26 1.40 8.25 -1.26 -5.10 115.22 113.43 2jwx n HIS 154 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 2jwx n HIS 154 Cb 0.65 0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.80 2jwx n HIS 154 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jwx s HIS 155 N 0.00 3.15 -0.73 4.41 5.65 -1.26 -5.04 115.29 121.48 2jwx s HIS 155 Ca 0.00 0.00 -0.26 0.00 0.25 0.00 0.00 55.06 55.05 2jwx s HIS 155 Cb 0.00 -1.94 -0.01 0.00 -1.18 0.00 0.00 32.58 29.46 2jwx s HIS 155 CO 0.00 0.21 1.68 -1.01 -0.65 0.00 0.00 174.74 174.98 2jwx s HIS 156 N -0.09 1.93 0.00 3.88 0.09 -1.26 -5.22 115.29 114.61 2jwx s HIS 156 Ca 0.04 0.39 0.00 0.00 -0.00 0.00 0.00 55.06 55.50 2jwx s HIS 156 Cb -0.13 -4.28 0.00 0.00 -0.00 0.00 0.00 32.58 28.17 2jwx s HIS 156 CO 0.02 -2.13 0.00 0.72 -0.00 0.00 0.00 174.74 173.35