#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 2.12 0.41 3.03 0.00 -1.26 -4.96 107.32 106.66 2jwx s GLY 2 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2jwx s GLY 2 CO 0.00 -0.40 0.00 -0.18 0.00 0.00 0.00 173.10 172.52 2jwx n GLN 3 N -0.30 0.00 -2.12 2.90 7.27 -1.26 -5.14 117.38 118.74 2jwx n GLN 3 Ca -0.02 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.64 2jwx n GLN 3 Cb 0.53 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.15 2jwx n GLN 3 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2jwx s PRO 4 N -1.83 4.34 -0.07 3.69 0.04 -1.26 -4.97 135.00 134.94 2jwx s PRO 4 Ca 0.00 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 2jwx s PRO 4 Cb 0.00 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2jwx s PRO 4 CO 0.00 -0.31 1.28 -1.25 0.04 0.00 0.00 177.00 176.77 2jwx s PRO 5 N -0.52 4.30 0.00 0.56 0.04 -1.26 -4.89 135.00 133.23 2jwx s PRO 5 Ca 0.56 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.44 2jwx s PRO 5 Cb -0.39 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2jwx s PRO 5 CO 0.43 -0.55 0.55 0.00 0.04 0.00 0.00 177.00 177.46 2jwx n ALA 6 N 5.63 2.65 -3.75 8.56 0.00 -1.26 -4.87 120.51 127.47 2jwx n ALA 6 Ca 0.12 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 2jwx n ALA 6 Cb 0.45 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.06 1.06 -0.26 0.00 2.02 -1.26 -4.92 118.70 114.27 2jwx s GLU 7 Ca 0.06 -1.59 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 2jwx s GLU 7 Cb 0.06 -2.28 -0.16 0.00 0.10 0.00 0.00 34.13 31.85 2jwx s GLU 7 CO 0.17 -1.06 -0.26 0.39 0.02 0.00 0.00 175.26 174.51 2jwx n GLU 8 N 4.18 0.63 -2.12 1.61 1.02 -1.26 -5.10 120.64 119.59 2jwx n GLU 8 Ca 0.04 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2jwx n GLU 8 Cb 0.38 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jwx n ALA 9 N -3.56 -0.60 0.00 0.62 0.00 -1.26 -4.90 120.51 110.81 2jwx n ALA 9 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2jwx n ALA 9 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.16 0.00 -3.41 0.00 4.07 -1.26 -4.92 120.64 114.97 2jwx n GLU 10 Ca 0.00 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.66 2jwx n GLU 10 Cb 0.10 -0.40 -0.03 0.00 -0.06 0.00 0.00 31.44 31.05 2jwx n GLU 10 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2jwx s GLN 11 N -1.00 3.43 -0.45 5.31 1.11 -1.26 -5.04 119.66 121.75 2jwx s GLN 11 Ca 0.00 -2.51 -0.43 0.00 0.01 0.00 0.00 55.36 52.43 2jwx s GLN 11 Cb 0.00 -4.30 -0.18 0.00 -1.01 0.00 0.00 33.01 27.52 2jwx s GLN 11 CO 0.00 -1.27 1.46 -2.30 0.01 0.00 0.00 175.29 173.19 2jwx n PRO 12 N 3.81 0.00 0.00 2.91 -0.02 -1.26 -1.49 135.00 138.95 2jwx n PRO 12 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2jwx n PRO 12 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 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 3.63 0.70 3.33 -1.23 0.00 -1.26 -4.69 105.19 105.68 2jwx n GLY 13 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.16 -2.54 -3.87 4.61 0.00 -0.55 -5.03 120.51 111.97 2jwx n ALA 14 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jwx n ALA 14 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.17 2jwx n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jwx n LEU 15 N -2.82 0.00 0.00 0.00 4.77 -1.22 -5.11 117.00 112.61 2jwx n LEU 15 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jwx n LEU 15 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2jwx n LEU 15 CO 0.59 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.70 2jwx n ALA 16 N -3.00 0.00 -0.42 -1.18 0.00 -1.26 -4.85 120.51 109.80 2jwx n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jwx n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jwx n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jwx n ARG 17 N -0.49 0.00 -1.65 0.00 5.12 -1.26 -4.69 116.66 113.70 2jwx n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2jwx n ARG 17 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2jwx n ARG 17 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2jwx n GLU 18 N 0.00 0.00 -3.32 5.56 0.28 -1.26 -4.95 120.64 116.95 2jwx n GLU 18 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2jwx n GLU 18 Cb 0.00 0.00 0.07 0.00 1.43 0.00 0.00 31.44 32.94 2jwx n GLU 18 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2jwx n PHE 19 N 0.00 -2.37 -2.57 -1.84 -0.00 0.27 -4.77 117.46 106.18 2jwx n PHE 19 Ca 0.00 0.84 -0.43 0.00 -0.00 0.00 0.00 57.45 57.87 2jwx n PHE 19 Cb 0.00 -4.24 -0.02 0.00 -0.00 0.00 0.00 39.48 35.22 2jwx n PHE 19 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2jwx s LEU 20 N -5.65 3.54 0.00 -2.13 2.01 -0.04 -4.89 118.68 111.52 2jwx s LEU 20 Ca 0.38 0.33 0.00 0.00 0.01 0.00 0.00 54.13 54.84 2jwx s LEU 20 Cb -0.06 -3.37 0.00 0.00 0.01 0.00 0.00 46.19 42.77 2jwx s LEU 20 CO 0.75 -1.38 0.00 0.00 1.01 0.00 0.00 176.35 176.73 2jwx n ALA 21 N 8.23 -0.66 -3.60 4.21 0.00 -1.26 -4.51 120.51 122.92 2jwx n ALA 21 Ca 0.11 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 2jwx n ALA 21 Cb 0.49 -0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.74 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx n ALA 22 N -0.42 -1.17 -2.11 0.00 0.00 -1.26 -4.67 120.51 110.88 2jwx n ALA 22 Ca 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 2jwx n ALA 22 Cb 0.12 -4.03 -0.03 0.00 0.00 0.00 0.00 19.45 15.50 2jwx n ALA 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jwx s MET 23 N -6.29 2.70 0.09 0.00 1.75 -1.26 -4.15 119.30 112.14 2jwx s MET 23 Ca 0.53 0.28 0.00 0.00 -1.25 0.00 0.00 55.69 55.25 2jwx s MET 23 Cb -0.26 -4.54 0.00 0.00 2.84 0.00 0.00 34.83 32.87 2jwx s MET 23 CO 0.66 -2.78 0.00 -1.91 -0.65 0.00 0.00 175.02 170.33 2jwx n GLU 24 N 9.13 0.00 -1.71 4.11 2.13 -1.26 -5.12 120.64 127.92 2jwx n GLU 24 Ca 0.23 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.68 2jwx n GLU 24 Cb 0.51 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.29 2jwx n GLU 24 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2jwx n PRO 25 N -2.67 1.09 -2.61 5.31 -0.02 -1.26 -4.99 135.00 129.85 2jwx n PRO 25 Ca 0.00 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 2jwx n PRO 25 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 30.90 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jwx s GLU 26 N -3.40 3.92 -0.96 -0.52 2.02 -1.26 -4.89 118.70 113.61 2jwx s GLU 26 Ca 0.83 1.31 -0.06 0.00 0.02 0.00 0.00 54.97 57.07 2jwx s GLU 26 Cb -0.38 -2.14 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 2jwx s GLU 26 CO 0.40 -0.32 2.26 -2.30 0.02 0.00 0.00 175.26 175.33 2jwx n PRO 27 N -0.83 2.28 -4.31 0.39 -0.02 -1.26 -4.79 135.00 126.46 2jwx n PRO 27 Ca 0.08 -1.51 -0.32 0.00 -2.02 0.00 0.00 63.50 59.73 2jwx n PRO 27 Cb 0.53 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 3.11 2.13 0.62 3.55 0.00 -1.26 -4.76 121.76 125.15 2jwx s ALA 28 Ca 0.44 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 2jwx s ALA 28 Cb 0.12 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 2jwx s ALA 28 CO -0.04 -0.23 0.97 -1.25 0.00 0.00 0.00 175.76 175.21 2jwx s PRO 29 N 1.15 3.08 -0.61 0.00 0.04 -1.19 -5.02 135.00 132.45 2jwx s PRO 29 Ca -0.00 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.37 2jwx s PRO 29 Cb -0.14 -2.18 0.34 0.00 0.04 0.00 0.00 34.50 32.56 2jwx s PRO 29 CO -0.08 -0.72 1.00 0.00 0.04 0.00 0.00 177.00 177.24 2jwx n ALA 30 N -2.70 4.75 -2.05 8.56 0.00 -1.26 -5.00 120.51 122.81 2jwx n ALA 30 Ca 0.05 -4.71 -0.28 0.00 0.00 0.00 0.00 53.44 48.50 2jwx n ALA 30 Cb 0.57 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 2jwx n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jwx s PRO 31 N -3.50 2.58 -0.46 0.00 0.04 -1.26 -4.76 135.00 127.64 2jwx s PRO 31 Ca 0.48 -0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.21 2jwx s PRO 31 Cb 0.27 -4.98 0.08 0.00 0.04 0.00 0.00 34.50 29.91 2jwx s PRO 31 CO -0.13 -3.29 0.35 0.00 0.04 0.00 0.00 177.00 173.97 2jwx s ALA 32 N 9.90 3.45 -0.75 8.56 0.00 -1.26 -5.03 121.76 136.64 2jwx s ALA 32 Ca 0.69 -2.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.20 2jwx s ALA 32 Cb -0.07 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 2jwx s ALA 32 CO 0.02 -1.74 1.79 -1.25 0.00 0.00 0.00 175.76 174.58 2jwx s PRO 33 N 1.53 2.74 0.00 0.00 0.04 -1.26 -3.90 135.00 134.15 2jwx s PRO 33 Ca 0.04 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2jwx s PRO 33 Cb -0.25 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2jwx s PRO 33 CO 0.04 -2.83 0.00 0.39 0.04 0.00 0.00 177.00 174.64 2jwx n GLU 34 N 9.09 0.00 -0.51 4.56 -0.58 -1.26 -4.75 120.64 127.18 2jwx n GLU 34 Ca 0.25 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.07 2jwx n GLU 34 Cb 0.50 -3.66 0.29 0.00 -0.57 0.00 0.00 31.44 28.00 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2jwx n GLU 35 N -2.00 3.44 -1.30 3.49 4.07 -1.26 -5.07 120.64 122.02 2jwx n GLU 35 Ca 0.00 -2.77 0.16 0.00 -0.06 0.00 0.00 57.16 54.48 2jwx n GLU 35 Cb 0.00 -1.83 -0.06 0.00 -0.06 0.00 0.00 31.44 29.50 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2jwx n TRP 36 N 0.23 -3.15 -3.70 4.31 7.02 -1.26 -4.94 117.44 115.95 2jwx n TRP 36 Ca 0.22 1.65 -0.25 0.00 -1.02 0.00 0.00 57.50 58.10 2jwx n TRP 36 Cb 0.86 -2.87 -0.17 0.00 -2.42 0.00 0.00 31.31 26.72 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N -6.51 0.62 -0.57 -0.99 2.96 -1.12 -4.94 118.68 108.11 2jwx s LEU 37 Ca 0.00 -0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 53.21 2jwx s LEU 37 Cb 0.00 -0.38 0.03 0.00 0.50 0.00 0.00 46.19 46.34 2jwx s LEU 37 CO 0.00 -0.28 1.21 -0.62 -1.32 0.00 0.00 176.35 175.34 2jwx s ASP 38 N 2.02 6.43 0.07 3.68 -1.08 -1.26 -2.17 116.67 124.36 2jwx s ASP 38 Ca 0.02 0.16 -0.24 0.00 -0.52 0.00 0.00 52.55 51.98 2jwx s ASP 38 Cb -0.15 -2.55 -0.16 0.00 -1.46 0.00 0.00 42.92 38.60 2jwx s ASP 38 CO -0.07 -1.49 1.66 0.40 0.52 0.00 0.00 175.17 176.20 2jwx h ILE 39 N 6.19 1.05 -0.02 4.11 2.04 -0.44 -2.95 117.51 127.48 2jwx h ILE 39 Ca -0.25 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2jwx h ILE 39 Cb 1.06 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2jwx h ILE 39 CO 1.18 0.05 -0.29 0.18 0.00 0.00 0.00 178.15 179.26 2jwx n LEU 40 N -5.06 2.39 -2.06 1.44 7.99 -1.26 -4.90 117.00 115.55 2jwx n LEU 40 Ca -0.07 -0.85 -0.18 0.00 -0.01 0.00 0.00 56.01 54.89 2jwx n LEU 40 Cb 0.07 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.34 2jwx n LEU 40 CO 0.33 0.42 -0.21 0.61 -1.51 0.00 0.00 177.39 177.04 2jwx n GLY 41 N 1.38 0.39 0.02 -0.72 0.00 -1.12 -4.84 105.19 100.31 2jwx n GLY 41 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.59 0.58 0.00 1.61 2.04 -1.26 -4.95 115.26 111.69 2jwx n ASN 42 Ca -0.20 -0.38 0.00 0.00 -0.44 0.00 0.00 54.58 53.56 2jwx n ASN 42 Cb 0.64 1.13 0.00 0.00 -2.53 0.00 0.00 39.78 39.02 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 1.38 1.82 0.01 4.83 0.00 -1.26 -4.78 105.19 107.19 2jwx n GLY 43 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 0.04 -3.94 0.99 4.32 -1.26 -4.83 117.00 112.31 2jwx n LEU 44 Ca 0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 2jwx n LEU 44 Cb 0.00 -0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2jwx n LEU 44 CO 0.00 0.00 -0.38 -0.22 -1.22 0.00 0.00 177.39 175.57 2jwx s LEU 45 N -4.51 3.38 -0.02 2.23 1.98 -1.23 -1.72 118.68 118.80 2jwx s LEU 45 Ca -0.07 -1.63 -0.00 0.00 -2.89 0.00 0.00 54.13 49.53 2jwx s LEU 45 Cb 0.14 -1.32 0.03 0.00 0.66 0.00 0.00 46.19 45.70 2jwx s LEU 45 CO 0.91 -0.31 0.03 -0.13 -1.89 0.00 0.00 176.35 174.95 2jwx s ARG 46 N 1.23 0.00 -0.10 1.98 0.52 0.74 0.39 118.95 123.71 2jwx s ARG 46 Ca 0.03 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2jwx s ARG 46 Cb -0.19 -0.30 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 2jwx s ARG 46 CO -0.10 -0.18 -0.10 -1.59 0.02 0.00 0.00 175.30 173.35 2jwx s LYS 47 N 1.16 3.07 -0.14 3.54 -2.85 -0.92 0.00 119.74 123.59 2jwx s LYS 47 Ca -0.08 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.25 2jwx s LYS 47 Cb -0.13 -2.61 -0.02 0.00 -2.06 0.00 0.00 37.83 33.02 2jwx s LYS 47 CO -0.03 0.42 -0.11 0.21 0.10 0.00 0.00 175.35 175.94 2jwx s LYS 48 N -0.18 3.41 -0.77 1.78 2.20 0.14 -2.80 119.74 123.52 2jwx s LYS 48 Ca 0.01 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 54.70 2jwx s LYS 48 Cb -0.13 -2.70 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2jwx s LYS 48 CO 0.03 0.17 1.42 0.95 -0.36 0.00 0.00 175.35 177.56 2jwx s THR 49 N 0.48 3.68 -0.05 3.43 -4.23 -1.25 -0.88 115.64 116.81 2jwx s THR 49 Ca -0.08 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 2jwx s THR 49 Cb -0.15 -4.76 -0.27 0.00 1.34 0.00 0.00 72.50 68.66 2jwx s THR 49 CO 0.04 -1.69 0.95 -0.07 -0.54 0.00 0.00 174.62 173.31 2jwx h LEU 50 N 13.69 0.37 -7.84 4.79 3.38 -1.61 -3.42 115.31 124.66 2jwx h LEU 50 Ca -0.20 -0.88 -0.54 0.00 0.09 0.00 0.00 57.88 56.35 2jwx h LEU 50 Cb 1.06 -0.12 -0.36 0.00 0.09 0.00 0.00 40.66 41.34 2jwx h LEU 50 CO 1.29 1.21 -0.81 -0.69 0.09 0.00 0.00 178.44 179.53 2jwx s VAL 51 N -2.72 1.20 -0.13 1.22 1.01 -0.85 -4.98 120.40 115.15 2jwx s VAL 51 Ca -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2jwx s VAL 51 Cb 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2jwx s VAL 51 CO 0.79 0.39 0.04 -2.16 0.00 0.00 0.00 175.10 174.16 2jwx s PRO 52 N 1.32 3.47 0.37 2.72 0.04 -1.26 -0.22 135.00 141.44 2jwx s PRO 52 Ca -0.01 -0.35 -0.27 0.00 0.04 0.00 0.00 61.00 60.40 2jwx s PRO 52 Cb -0.14 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 2jwx s PRO 52 CO -0.05 0.52 1.37 0.41 0.04 0.00 0.00 177.00 179.30 2jwx n GLY 53 N 2.73 0.85 3.27 0.56 0.00 -1.26 -4.79 105.19 106.54 2jwx n GLY 53 Ca -0.18 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2jwx n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jwx n PRO 54 N 0.39 -1.51 -0.13 1.61 -0.02 -1.26 -4.85 135.00 129.24 2jwx n PRO 54 Ca 0.04 -0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.07 2jwx n PRO 54 Cb 0.38 -1.68 -0.01 0.00 -0.02 0.00 0.00 33.50 32.17 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 55 N -1.90 -0.11 -0.00 0.52 -0.02 -1.26 -2.68 135.00 129.55 2jwx n PRO 55 Ca 0.01 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2jwx n PRO 55 Cb 0.63 -0.71 -0.00 0.00 -0.02 0.00 0.00 33.50 33.39 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 56 N -1.11 -0.02 3.07 -1.23 0.00 -1.26 -3.20 105.19 101.44 2jwx n GLY 56 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jwx n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jwx n SER 57 N -1.72 0.00 -3.63 1.61 7.64 -1.09 -3.28 113.62 113.15 2jwx n SER 57 Ca -0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2jwx n SER 57 Cb 0.22 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2jwx n SER 57 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jwx s SER 58 N -2.03 -0.91 -0.78 6.43 0.15 -1.26 0.94 113.70 116.23 2jwx s SER 58 Ca 0.00 1.40 -0.01 0.00 0.70 0.00 0.00 55.95 58.04 2jwx s SER 58 Cb 0.00 1.58 0.19 0.00 -1.71 0.00 0.00 66.02 66.08 2jwx s SER 58 CO 0.00 -0.21 0.63 -0.13 1.20 0.00 0.00 173.24 174.72 2jwx s ARG 59 N 1.91 2.91 0.30 5.44 1.81 -1.24 -0.58 118.95 129.51 2jwx s ARG 59 Ca -0.09 -3.08 -0.30 0.00 -1.72 0.00 0.00 55.73 50.55 2jwx s ARG 59 Cb -0.06 -3.79 -0.11 0.00 -0.45 0.00 0.00 34.95 30.54 2jwx s ARG 59 CO -0.19 -1.24 1.55 -1.25 -0.68 0.00 0.00 175.30 173.49 2jwx s PRO 60 N -1.01 4.14 0.23 3.54 0.04 -1.26 -4.76 135.00 135.92 2jwx s PRO 60 Ca 0.24 2.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.67 2jwx s PRO 60 Cb -0.11 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 2jwx s PRO 60 CO -0.10 -0.58 0.65 0.14 0.04 0.00 0.00 177.00 177.14 2jwx s VAL 61 N -0.24 4.75 -0.94 -0.36 -7.23 -1.26 -4.13 120.40 110.99 2jwx s VAL 61 Ca 0.61 0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 61.51 2jwx s VAL 61 Cb -0.47 -3.71 -0.27 0.00 0.56 0.00 0.00 36.38 32.49 2jwx s VAL 61 CO 0.50 0.05 2.33 0.29 -0.31 0.00 0.00 175.10 177.97 2jwx n LYS 62 N 0.28 0.13 0.00 4.82 4.01 -1.26 -0.67 118.16 125.47 2jwx n LYS 62 Ca -0.01 -0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 2jwx n LYS 62 Cb 0.52 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.42 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jwx n GLY 63 N 5.94 0.35 3.68 0.72 0.00 0.34 -4.71 105.19 111.50 2jwx n GLY 63 Ca 0.63 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 2jwx n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwx s GLN 64 N 0.00 4.31 -0.22 1.61 -1.52 0.16 -1.22 119.66 122.78 2jwx s GLN 64 Ca 0.00 0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 54.08 2jwx s GLN 64 Cb 0.00 -3.55 -0.03 0.00 -0.22 0.00 0.00 33.01 29.21 2jwx s GLN 64 CO 0.00 -0.25 1.62 0.54 -0.25 0.00 0.00 175.29 176.94 2jwx s VAL 65 N 1.90 3.69 -0.11 1.09 0.11 0.19 -2.50 120.40 124.78 2jwx s VAL 65 Ca 0.37 0.78 0.01 0.00 -2.93 0.00 0.00 61.98 60.22 2jwx s VAL 65 Cb -0.17 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2jwx s VAL 65 CO 0.13 -0.29 -0.14 0.68 -3.33 0.00 0.00 175.10 172.15 2jwx s VAL 66 N 5.19 2.95 -0.40 2.04 -7.23 -0.91 -2.30 120.40 119.75 2jwx s VAL 66 Ca 0.71 -0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 59.95 2jwx s VAL 66 Cb -0.25 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.49 2jwx s VAL 66 CO 0.29 0.54 0.73 0.42 -0.31 0.00 0.00 175.10 176.77 2jwx s THR 67 N 0.09 4.76 -0.14 5.32 -4.23 -0.84 -2.30 115.64 118.31 2jwx s THR 67 Ca -0.06 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 2jwx s THR 67 Cb -0.15 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.50 2jwx s THR 67 CO 0.05 -0.51 -0.19 0.68 -0.54 0.00 0.00 174.62 174.12 2jwx s VAL 68 N 3.03 1.83 -0.26 2.29 -7.23 0.88 -2.30 120.40 118.64 2jwx s VAL 68 Ca 0.28 -0.83 -0.25 0.00 -1.81 0.00 0.00 61.98 59.37 2jwx s VAL 68 Cb -0.13 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 2jwx s VAL 68 CO 0.18 0.50 0.87 -2.28 -0.31 0.00 0.00 175.10 174.07 2jwx s HIS 69 N 1.05 3.28 -0.05 2.82 2.46 0.19 0.55 115.29 125.60 2jwx s HIS 69 Ca -0.03 1.13 0.04 0.00 0.47 0.00 0.00 55.06 56.67 2jwx s HIS 69 Cb -0.14 -3.16 -0.00 0.00 -0.13 0.00 0.00 32.58 29.14 2jwx s HIS 69 CO -0.05 -0.47 -0.17 -0.48 -2.47 0.00 0.00 174.74 171.10 2jwx s LEU 70 N 2.98 1.91 -0.28 8.88 2.34 -0.72 0.43 118.68 134.22 2jwx s LEU 70 Ca 0.36 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 54.21 2jwx s LEU 70 Cb -0.15 -0.97 0.06 0.00 -0.56 0.00 0.00 46.19 44.57 2jwx s LEU 70 CO 0.09 0.15 -0.06 -1.10 -1.06 0.00 0.00 176.35 174.36 2jwx s GLN 71 N 0.08 2.30 -0.26 1.48 1.11 -1.00 -0.69 119.66 122.68 2jwx s GLN 71 Ca -0.05 -1.33 -0.16 0.00 0.01 0.00 0.00 55.36 53.83 2jwx s GLN 71 Cb -0.12 -3.02 -0.03 0.00 -1.01 0.00 0.00 33.01 28.82 2jwx s GLN 71 CO 0.02 -0.60 0.43 0.99 0.01 0.00 0.00 175.29 176.14 2jwx s THR 72 N 1.16 5.14 -0.10 -0.19 2.01 0.82 -2.56 115.64 121.91 2jwx s THR 72 Ca -0.07 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2jwx s THR 72 Cb -0.20 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2jwx s THR 72 CO -0.03 0.14 0.01 -0.44 -0.69 0.00 0.00 174.62 173.60 2jwx s SER 73 N 1.56 5.24 0.95 3.53 0.01 0.61 0.16 113.70 125.77 2jwx s SER 73 Ca 0.17 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 2jwx s SER 73 Cb -0.16 -1.57 0.16 0.00 0.21 0.00 0.00 66.02 64.66 2jwx s SER 73 CO 0.09 0.33 1.09 -0.76 0.41 0.00 0.00 173.24 174.41 2jwx s LEU 74 N -0.61 1.97 0.56 2.44 1.43 0.25 0.02 118.68 124.73 2jwx s LEU 74 Ca 0.10 1.45 0.25 0.00 -1.03 0.00 0.00 54.13 54.90 2jwx s LEU 74 Cb -0.12 -3.75 1.51 0.00 0.03 0.00 0.00 46.19 43.86 2jwx s LEU 74 CO 0.02 -2.96 2.08 1.05 0.23 0.00 0.00 176.35 176.78 2jwx h GLU 75 N -1.77 0.00 0.00 1.70 4.11 -1.69 0.59 114.58 117.52 2jwx h GLU 75 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2jwx h GLU 75 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2jwx h GLU 75 CO 0.54 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.71 2jwx n ASN 76 N -4.10 0.00 0.00 3.06 3.02 -1.26 -4.88 115.26 111.09 2jwx n ASN 76 Ca 0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2jwx n ASN 76 Cb 0.36 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.88 0.82 3.54 7.41 0.00 0.21 -5.06 105.19 113.00 2jwx n GLY 77 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 5.12 -0.36 2.61 2.01 -1.24 -4.72 115.64 117.01 2jwx s THR 78 Ca 0.00 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 2jwx s THR 78 Cb 0.00 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2jwx s THR 78 CO 0.00 0.18 2.27 -0.13 -0.69 0.00 0.00 174.62 176.25 2jwx s ARG 79 N 1.72 2.65 0.32 4.92 3.00 -1.26 0.85 118.95 131.16 2jwx s ARG 79 Ca 0.06 1.66 0.22 0.00 0.00 0.00 0.00 55.73 57.67 2jwx s ARG 79 Cb -0.16 -4.46 0.17 0.00 0.00 0.00 0.00 34.95 30.49 2jwx s ARG 79 CO 0.10 -2.65 1.35 -0.39 0.00 0.00 0.00 175.30 173.71 2jwx h VAL 80 N 7.37 0.11 -2.15 3.52 -1.51 -0.63 -3.46 116.25 119.50 2jwx h VAL 80 Ca -0.32 -1.17 -0.03 0.00 -1.23 0.00 0.00 66.70 63.94 2jwx h VAL 80 Cb 1.25 1.87 -0.22 0.00 -2.13 0.00 0.00 31.29 32.06 2jwx h VAL 80 CO 1.06 0.06 -0.00 0.00 -1.23 0.00 0.00 177.57 177.47 2jwx s GLN 81 N -3.22 0.70 -0.27 5.19 -2.07 -1.19 -4.64 119.66 114.16 2jwx s GLN 81 Ca 0.04 1.02 0.02 0.00 -1.82 0.00 0.00 55.36 54.61 2jwx s GLN 81 Cb 0.07 0.23 0.06 0.00 -1.09 0.00 0.00 33.01 32.28 2jwx s GLN 81 CO 0.73 -0.12 -0.09 -2.00 -1.32 0.00 0.00 175.29 172.49 2jwx s GLU 82 N 0.98 2.33 -0.39 9.60 2.12 -1.26 -0.13 118.70 131.94 2jwx s GLU 82 Ca -0.05 -1.30 -0.04 0.00 0.36 0.00 0.00 54.97 53.93 2jwx s GLU 82 Cb -0.05 -2.95 0.09 0.00 0.26 0.00 0.00 34.13 31.48 2jwx s GLU 82 CO -0.09 -0.56 0.18 -2.00 -0.54 0.00 0.00 175.26 172.25 2jwx s GLU 83 N 1.15 2.24 -1.16 4.30 2.56 0.14 -4.99 118.70 122.93 2jwx s GLU 83 Ca -0.07 -1.63 -0.22 0.00 0.00 0.00 0.00 54.97 53.05 2jwx s GLU 83 Cb -0.20 -3.57 -0.02 0.00 2.00 0.00 0.00 34.13 32.34 2jwx s GLU 83 CO -0.04 -0.97 1.83 -2.14 -0.56 0.00 0.00 175.26 173.38 2jwx s PRO 84 N 1.24 3.05 0.00 4.30 0.02 -1.26 -1.75 135.00 140.60 2jwx s PRO 84 Ca 0.04 -1.29 0.00 0.00 0.02 0.00 0.00 61.00 59.78 2jwx s PRO 84 Cb -0.22 -5.32 0.00 0.00 0.02 0.00 0.00 34.50 28.98 2jwx s PRO 84 CO -0.02 -3.21 0.00 0.39 -0.33 0.00 0.00 177.00 173.83 2jwx n GLU 85 N 8.46 0.00 -3.63 5.54 1.02 -1.25 -4.92 120.64 125.85 2jwx n GLU 85 Ca 0.44 0.14 -0.39 0.00 -0.02 0.00 0.00 57.16 57.33 2jwx n GLU 85 Cb 0.47 -0.28 -0.11 0.00 -0.02 0.00 0.00 31.44 31.50 2jwx n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jwx s LEU 86 N 0.00 4.34 -0.10 -4.62 2.96 0.19 -4.73 118.68 116.72 2jwx s LEU 86 Ca 0.00 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2jwx s LEU 86 Cb 0.00 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2jwx s LEU 86 CO 0.00 -0.27 -0.17 0.54 -1.32 0.00 0.00 176.35 175.13 2jwx s VAL 87 N 1.59 2.69 0.19 1.68 0.11 -1.24 -0.09 120.40 125.34 2jwx s VAL 87 Ca 0.04 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.13 2jwx s VAL 87 Cb -0.18 -2.08 0.02 0.00 -1.53 0.00 0.00 36.38 32.60 2jwx s VAL 87 CO 0.06 0.55 0.46 0.72 -3.33 0.00 0.00 175.10 173.56 2jwx s PHE 88 N 0.16 0.03 -0.55 1.54 -0.71 -0.97 -4.95 117.98 112.52 2jwx s PHE 88 Ca -0.09 -0.38 -0.27 0.00 -1.04 0.00 0.00 56.93 55.14 2jwx s PHE 88 Cb -0.16 0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 41.92 2jwx s PHE 88 CO 0.06 -0.87 1.59 0.99 -1.34 0.00 0.00 175.22 175.65 2jwx s THR 89 N -3.90 3.61 0.45 -4.49 2.01 -1.26 -2.14 115.64 109.92 2jwx s THR 89 Ca 0.11 0.49 -0.25 0.00 0.31 0.00 0.00 61.69 62.36 2jwx s THR 89 Cb 0.00 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 2jwx s THR 89 CO -0.02 -1.02 1.37 -0.11 -0.69 0.00 0.00 174.62 174.15 2jwx n LEU 90 N 10.59 4.79 0.00 4.42 7.94 -1.04 -2.41 117.00 141.29 2jwx n LEU 90 Ca 0.16 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 2jwx n LEU 90 Cb 0.50 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.88 2jwx n LEU 90 CO 0.71 -0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 2jwx n GLY 91 N 0.67 0.22 0.68 -3.96 0.00 -1.17 0.13 105.19 101.76 2jwx n GLY 91 Ca 0.06 0.00 0.10 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 -0.14 2.03 -3.40 1.61 2.03 -1.01 -4.82 116.55 112.85 2jwx n ASP 92 Ca 0.00 -1.81 -0.24 0.00 0.52 0.00 0.00 54.79 53.26 2jwx n ASP 92 Cb 0.07 -0.16 0.05 0.00 -0.72 0.00 0.00 41.12 40.36 2jwx n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwx n ASP 94 N -2.73 0.26 0.00 0.00 2.03 -1.25 -4.78 116.55 110.07 2jwx n ASP 94 Ca -0.04 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2jwx n ASP 94 Cb 0.58 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2jwx n ASP 94 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2jwx n VAL 95 N -1.77 0.00 -2.71 5.18 0.24 -1.26 -4.91 118.33 113.10 2jwx n VAL 95 Ca 0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 2jwx n VAL 95 Cb 0.24 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.32 4.01 0.48 1.34 -0.00 -1.26 -4.87 121.20 121.22 2jwx s ILE 96 Ca 0.00 1.85 0.20 0.00 -0.00 0.00 0.00 60.65 62.70 2jwx s ILE 96 Cb 0.00 -4.11 0.37 0.00 -0.00 0.00 0.00 42.46 38.72 2jwx s ILE 96 CO 0.00 0.31 1.98 -0.61 -0.00 0.00 0.00 174.94 176.62 2jwx h GLN 97 N 3.62 0.19 -0.45 0.37 5.75 -1.38 0.11 115.11 123.32 2jwx h GLN 97 Ca -0.46 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.12 2jwx h GLN 97 Cb 1.20 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.62 2jwx h GLN 97 CO 0.66 0.13 -0.15 0.00 -2.65 0.00 0.00 178.83 176.82 2jwx h ALA 98 N 1.71 0.24 0.06 3.38 0.00 -0.72 -0.79 119.26 123.13 2jwx h ALA 98 Ca 0.28 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 55.11 2jwx h ALA 98 Cb 0.84 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2jwx h ALA 98 CO -0.05 -0.49 -1.21 1.25 0.00 0.00 0.00 179.25 178.75 2jwx h LEU 99 N -0.05 0.20 -0.73 0.00 5.85 -1.12 -1.89 115.31 117.57 2jwx h LEU 99 Ca 0.22 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 2jwx h LEU 99 Cb 0.38 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2jwx h LEU 99 CO -0.49 1.18 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.54 2jwx h ASP 100 N 0.03 0.42 0.35 1.25 3.58 -0.72 -2.42 116.42 118.91 2jwx h ASP 100 Ca -0.10 -0.20 -0.32 0.00 0.42 0.00 0.00 57.03 56.82 2jwx h ASP 100 Cb 1.89 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.78 2jwx h ASP 100 CO 0.16 0.83 -1.83 0.18 -2.88 0.00 0.00 179.24 175.69 2jwx n LEU 101 N -3.99 1.48 0.07 2.28 4.77 -0.34 -3.06 117.00 118.22 2jwx n LEU 101 Ca -0.02 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2jwx n LEU 101 Cb 0.54 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2jwx n LEU 101 CO 0.44 0.56 0.36 -1.28 -1.33 0.00 0.00 177.39 176.14 2jwx h SER 102 N 0.03 0.35 0.06 -1.43 0.87 -1.10 -2.95 113.55 109.37 2jwx h SER 102 Ca -0.34 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.01 2jwx h SER 102 Cb 2.03 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.84 2jwx h SER 102 CO 0.08 0.96 -0.30 0.58 -0.53 0.00 0.00 176.83 177.62 2jwx h VAL 103 N 0.19 0.34 0.00 2.23 2.07 -1.68 0.11 116.25 119.52 2jwx h VAL 103 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2jwx h VAL 103 Cb 1.30 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2jwx h VAL 103 CO 0.12 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.26 2jwx h PRO 104 N -0.49 0.00 -0.00 1.57 0.13 -1.71 0.40 132.00 131.90 2jwx h PRO 104 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2jwx h PRO 104 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2jwx h PRO 104 CO -0.21 0.00 -0.26 1.28 -0.23 0.00 0.00 178.00 178.58 2jwx n LEU 105 N -2.92 0.35 -4.74 1.56 4.77 -0.40 -4.66 117.00 110.96 2jwx n LEU 105 Ca -0.02 0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 2jwx n LEU 105 Cb 0.13 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2jwx n LEU 105 CO 0.20 0.08 -0.24 0.00 -1.33 0.00 0.00 177.39 176.10 2jwx s MET 106 N -2.89 2.64 0.05 3.23 0.23 0.14 -4.85 119.30 117.85 2jwx s MET 106 Ca 0.16 -1.22 -0.02 0.00 -1.03 0.00 0.00 55.69 53.57 2jwx s MET 106 Cb 0.18 -2.38 -0.04 0.00 -1.53 0.00 0.00 34.83 31.06 2jwx s MET 106 CO 0.60 0.38 0.24 -0.51 -2.03 0.00 0.00 175.02 173.70 2jwx s ASP 107 N -3.76 6.40 0.09 -1.18 1.11 -1.26 -4.58 116.67 113.49 2jwx s ASP 107 Ca 0.32 0.38 -0.31 0.00 0.18 0.00 0.00 52.55 53.12 2jwx s ASP 107 Cb -0.07 -2.01 -0.09 0.00 1.07 0.00 0.00 42.92 41.82 2jwx s ASP 107 CO 0.23 0.18 1.80 -0.69 1.18 0.00 0.00 175.17 177.86 2jwx s VAL 108 N -1.48 2.78 0.00 -1.27 1.01 0.25 -1.06 120.40 120.64 2jwx s VAL 108 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2jwx s VAL 108 Cb -0.13 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2jwx s VAL 108 CO 0.24 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2jwx n GLY 109 N 4.21 0.63 3.87 4.51 0.00 0.73 -4.31 105.19 114.83 2jwx n GLY 109 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.61 3.85 -0.24 1.61 2.12 -0.22 -4.46 118.70 120.74 2jwx s GLU 110 Ca 0.00 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.83 2jwx s GLU 110 Cb 0.00 -2.46 0.05 0.00 0.26 0.00 0.00 34.13 31.99 2jwx s GLU 110 CO 0.00 0.10 -0.11 0.99 -0.54 0.00 0.00 175.26 175.70 2jwx s THR 111 N -2.14 2.01 -0.11 -1.70 2.01 0.69 -2.52 115.64 113.88 2jwx s THR 111 Ca 0.51 -1.45 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2jwx s THR 111 Cb -0.10 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2jwx s THR 111 CO 0.25 0.03 -0.23 0.00 -0.69 0.00 0.00 174.62 173.98 2jwx s ALA 112 N 1.19 2.20 -0.28 7.40 0.00 -0.32 -1.48 121.76 130.46 2jwx s ALA 112 Ca -0.06 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 2jwx s ALA 112 Cb -0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 2jwx s ALA 112 CO -0.06 0.22 0.43 1.41 0.00 0.00 0.00 175.76 177.76 2jwx s MET 113 N 0.45 3.94 -0.20 0.00 -2.45 -0.06 -0.04 119.30 120.95 2jwx s MET 113 Ca -0.16 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 2jwx s MET 113 Cb -0.17 -3.69 0.02 0.00 1.25 0.00 0.00 34.83 32.24 2jwx s MET 113 CO 0.06 -0.37 -0.17 0.08 1.05 0.00 0.00 175.02 175.68 2jwx s VAL 114 N 2.18 2.22 -0.39 10.11 1.01 0.14 0.26 120.40 135.93 2jwx s VAL 114 Ca 0.17 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2jwx s VAL 114 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2jwx s VAL 114 CO 0.10 0.44 0.66 0.42 0.00 0.00 0.00 175.10 176.72 2jwx s THR 115 N 1.28 4.85 -0.04 3.92 -4.23 0.10 -0.28 115.64 121.25 2jwx s THR 115 Ca 0.03 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2jwx s THR 115 Cb -0.14 -4.14 0.02 0.00 1.34 0.00 0.00 72.50 69.58 2jwx s THR 115 CO -0.11 -0.43 -0.04 0.00 -0.54 0.00 0.00 174.62 173.50 2jwx s ALA 116 N 2.81 0.63 0.84 3.99 0.00 -0.39 -0.19 121.76 129.45 2jwx s ALA 116 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 2jwx s ALA 116 Cb -0.14 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.66 2jwx s ALA 116 CO 0.17 0.01 0.89 -3.47 0.00 0.00 0.00 175.76 173.36 2jwx n ASP 117 N 3.90 -0.17 0.25 0.00 -0.08 -0.70 0.10 116.55 119.86 2jwx n ASP 117 Ca -0.24 0.51 0.10 0.00 -1.51 0.00 0.00 54.79 53.64 2jwx n ASP 117 Cb 0.51 -1.38 0.65 0.00 2.34 0.00 0.00 41.12 43.24 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 -1.09 0.00 0.10 1.67 0.02 -0.99 0.35 113.55 113.61 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 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 2jwx h SER 118 CO 0.42 0.13 -0.00 0.07 -1.14 0.00 0.00 176.83 176.31 2jwx h LYS 119 N 0.00 0.00 -0.02 3.45 2.10 -1.87 1.60 116.57 121.84 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 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2jwx h LYS 119 CO 0.02 0.00 -0.40 0.66 -2.00 0.00 0.00 179.45 177.73 2jwx n TYR 120 N -3.18 0.00 0.00 0.07 4.02 0.92 -4.78 117.16 114.22 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 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.14 0.00 0.28 0.00 4.01 0.25 -4.52 117.16 116.03 2jwx n TYR 122 Ca 0.00 -0.29 -0.11 0.00 -0.16 0.00 0.00 57.90 57.34 2jwx n TYR 122 Cb 0.00 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 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 0.45 -0.74 -1.40 2.72 0.00 0.17 -0.83 103.07 103.44 2jwx h GLY 123 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2jwx h GLY 123 CO 0.04 -0.27 0.00 -1.55 0.00 0.00 0.00 176.54 174.76 2jwx n PRO 124 N -4.04 1.94 -0.02 4.80 -0.04 -1.26 -4.45 135.00 131.93 2jwx n PRO 124 Ca -0.09 -1.44 -0.04 0.00 -0.04 0.00 0.00 63.50 61.88 2jwx n PRO 124 Cb 0.28 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.66 0.10 -0.50 0.54 6.02 -1.21 -5.14 117.38 117.86 2jwx n GLN 125 Ca 0.15 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2jwx n GLN 125 Cb 0.36 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 30.82 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 2.88 -3.46 3.95 1.08 0.00 -0.32 -4.98 105.19 104.34 2jwx n GLY 126 Ca -0.09 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.62 6.03 0.12 1.61 0.15 -1.18 -4.84 113.70 112.97 2jwx s SER 127 Ca 0.00 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.77 2jwx s SER 127 Cb 0.00 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 2jwx s SER 127 CO 0.00 -0.53 1.67 0.08 1.20 0.00 0.00 173.24 175.66 2jwx h ARG 128 N 0.55 -0.25 0.00 5.44 0.11 -2.00 -3.34 114.38 114.89 2jwx h ARG 128 Ca -0.48 0.02 -0.15 0.00 0.10 0.00 0.00 59.98 59.48 2jwx h ARG 128 Cb 1.24 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 2jwx h ARG 128 CO 0.59 -0.17 -1.27 0.43 0.10 0.00 0.00 179.97 179.65 2jwx n SER 129 N -5.30 1.90 -4.35 0.08 7.64 -1.26 -4.88 113.62 107.45 2jwx n SER 129 Ca -0.04 0.43 -0.39 0.00 1.01 0.00 0.00 58.87 59.88 2jwx n SER 129 Cb 0.22 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 62.47 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 -2.55 2.88 -0.22 1.43 0.05 -1.26 -5.03 135.00 130.31 2jwx s PRO 130 Ca -0.27 -1.02 -0.28 0.00 0.05 0.00 0.00 61.00 59.47 2jwx s PRO 130 Cb 0.06 -3.56 -0.05 0.00 0.05 0.00 0.00 34.50 31.00 2jwx s PRO 130 CO 0.41 -0.60 2.13 -0.47 0.05 0.00 0.00 177.00 178.53 2jwx s TYR 131 N 1.51 1.28 -0.24 0.56 6.14 -1.25 -3.12 117.35 122.22 2jwx s TYR 131 Ca 0.01 0.48 -0.29 0.00 0.64 0.00 0.00 57.07 57.92 2jwx s TYR 131 Cb -0.19 -3.98 0.01 0.00 0.42 0.00 0.00 41.96 38.23 2jwx s TYR 131 CO 0.05 -4.01 1.04 0.42 0.64 0.00 0.00 175.55 173.69 2jwx s ILE 132 N 7.80 4.66 -0.46 3.14 -1.09 -1.26 -4.84 121.20 129.15 2jwx s ILE 132 Ca 0.96 1.98 -0.41 0.00 -2.23 0.00 0.00 60.65 60.95 2jwx s ILE 132 Cb -0.32 -4.32 -0.18 0.00 -1.58 0.00 0.00 42.46 36.06 2jwx s ILE 132 CO 0.35 -0.22 1.91 -2.65 -1.23 0.00 0.00 174.94 173.10 2jwx n PRO 133 N 6.39 0.00 -1.70 2.79 -0.02 -1.26 -4.40 135.00 136.80 2jwx n PRO 133 Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2jwx n PRO 133 Cb 0.46 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 2jwx n PRO 133 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jwx n PRO 134 N 6.53 2.18 -0.99 0.52 -0.02 -1.26 -0.32 135.00 141.65 2jwx n PRO 134 Ca 0.48 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.73 2jwx n PRO 134 Cb -0.04 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2jwx n PRO 134 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2jwx n HIS 135 N 1.24 0.00 -1.96 6.00 8.25 -1.26 -4.91 115.22 122.58 2jwx n HIS 135 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2jwx n HIS 135 Cb 0.34 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 -3.71 3.70 -0.42 -1.41 0.00 0.57 -4.20 121.76 116.29 2jwx s ALA 136 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 2jwx s ALA 136 Cb 0.00 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2jwx s ALA 136 CO 0.00 -0.97 1.15 0.00 0.00 0.00 0.00 175.76 175.93 2jwx s ALA 137 N 2.11 3.26 0.72 0.00 0.00 -1.26 -0.54 121.76 126.04 2jwx s ALA 137 Ca 0.72 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 2jwx s ALA 137 Cb -0.40 -3.83 0.02 0.00 0.00 0.00 0.00 23.12 18.91 2jwx s ALA 137 CO 0.32 -2.01 1.07 -0.51 0.00 0.00 0.00 175.76 174.63 2jwx s LEU 138 N 4.28 2.92 -0.30 0.00 1.43 0.12 -1.81 118.68 125.31 2jwx s LEU 138 Ca 0.48 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 2jwx s LEU 138 Cb -0.09 -4.19 0.10 0.00 0.03 0.00 0.00 46.19 42.03 2jwx s LEU 138 CO 0.26 -1.51 0.13 0.00 0.23 0.00 0.00 176.35 175.46 2jwx s LEU 140 N 1.95 2.92 -0.41 0.00 0.05 0.62 -0.28 118.68 123.52 2jwx s LEU 140 Ca 0.10 -0.21 -0.17 0.00 0.05 0.00 0.00 54.13 53.89 2jwx s LEU 140 Cb -0.17 -1.65 0.02 0.00 -2.05 0.00 0.00 46.19 42.34 2jwx s LEU 140 CO -0.33 0.22 0.42 -0.70 -0.55 0.00 0.00 176.35 175.41 2jwx s GLU 141 N 0.01 3.12 -0.03 1.48 2.12 -1.06 0.26 118.70 124.60 2jwx s GLU 141 Ca -0.02 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 2jwx s GLU 141 Cb -0.14 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.26 2jwx s GLU 141 CO 0.04 -0.81 0.14 0.14 -0.54 0.00 0.00 175.26 174.22 2jwx s VAL 142 N 2.08 5.19 -0.28 3.70 -7.23 0.95 -2.37 120.40 122.44 2jwx s VAL 142 Ca 0.11 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2jwx s VAL 142 Cb -0.17 -3.38 0.07 0.00 0.56 0.00 0.00 36.38 33.46 2jwx s VAL 142 CO 0.13 0.39 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.36 2jwx s THR 143 N -1.23 2.10 -0.38 5.32 2.01 0.17 -1.18 115.64 122.45 2jwx s THR 143 Ca 0.24 -1.78 -0.23 0.00 0.31 0.00 0.00 61.69 60.22 2jwx s THR 143 Cb -0.12 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.07 2jwx s THR 143 CO 0.14 -0.21 0.79 -0.22 -0.69 0.00 0.00 174.62 174.44 2jwx s LEU 144 N 1.09 4.14 -0.17 4.42 0.20 -1.05 -0.63 118.68 126.68 2jwx s LEU 144 Ca -0.03 0.27 0.13 0.00 0.69 0.00 0.00 54.13 55.19 2jwx s LEU 144 Cb -0.20 -3.03 -0.20 0.00 -0.43 0.00 0.00 46.19 42.34 2jwx s LEU 144 CO -0.06 -0.78 0.03 2.29 -0.29 0.00 0.00 176.35 177.53 2jwx n LYS 145 N 6.52 1.19 -3.75 1.98 0.00 -0.97 -0.19 118.16 122.94 2jwx n LYS 145 Ca 0.03 0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.23 2jwx n LYS 145 Cb 0.48 -1.43 -0.12 0.00 -0.00 0.00 0.00 35.03 33.97 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jwx s THR 146 N -2.41 -0.02 -0.04 0.58 2.01 -1.24 -4.78 115.64 109.74 2jwx s THR 146 Ca -0.11 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2jwx s THR 146 Cb 0.05 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.17 2jwx s THR 146 CO 0.66 0.02 0.04 0.00 -0.69 0.00 0.00 174.62 174.66 2jwx s ALA 147 N 0.68 0.25 0.00 7.40 0.00 -1.26 -1.98 121.76 126.85 2jwx s ALA 147 Ca -0.04 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 2jwx s ALA 147 Cb -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2jwx s ALA 147 CO -0.04 -0.38 0.24 0.14 0.00 0.00 0.00 175.76 175.72 2jwx s VAL 148 N 1.84 0.08 -0.01 0.00 -7.23 -0.97 -4.84 120.40 109.25 2jwx s VAL 148 Ca 0.01 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 2jwx s VAL 148 Cb -0.12 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 2jwx s VAL 148 CO -0.03 -0.34 1.54 -0.62 -0.31 0.00 0.00 175.10 175.34 2jwx s ASP 149 N -1.52 6.73 0.00 4.85 2.15 -1.26 0.55 116.67 128.17 2jwx s ASP 149 Ca -0.12 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.08 2jwx s ASP 149 Cb -0.05 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2jwx s ASP 149 CO 0.02 -0.84 0.46 -0.11 -0.17 0.00 0.00 175.17 174.53 2jwx n LEU 150 N 6.14 0.00 -4.75 -1.34 7.94 -1.02 -4.80 117.00 119.16 2jwx n LEU 150 Ca 0.15 -0.13 -0.41 0.00 -1.11 0.00 0.00 56.01 54.52 2jwx n LEU 150 Cb 0.43 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.33 2jwx n LEU 150 CO 0.61 0.09 0.77 -0.70 -1.11 0.00 0.00 177.39 177.04 2jwx s GLU 151 N 0.00 4.66 -0.28 1.96 2.12 -0.35 -4.93 118.70 121.88 2jwx s GLU 151 Ca 0.00 1.71 0.10 0.00 0.36 0.00 0.00 54.97 57.15 2jwx s GLU 151 Cb 0.00 -3.24 0.53 0.00 0.26 0.00 0.00 34.13 31.68 2jwx s GLU 151 CO 0.00 0.22 1.49 0.72 -0.54 0.00 0.00 175.26 177.15 2jwx n HIS 152 N 1.70 1.22 0.50 5.30 8.25 -1.26 -4.18 115.22 126.76 2jwx n HIS 152 Ca 0.00 -1.44 0.12 0.00 -0.26 0.00 0.00 57.72 56.13 2jwx n HIS 152 Cb 0.46 -0.49 0.07 0.00 1.12 0.00 0.00 29.99 31.15 2jwx n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jwx n HIS 153 N -0.97 0.45 -2.17 4.41 -0.00 -1.26 -5.02 115.22 110.65 2jwx n HIS 153 Ca 0.33 0.13 -0.03 0.00 -0.00 0.00 0.00 57.72 58.15 2jwx n HIS 153 Cb 1.06 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2jwx n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jwx n HIS 154 N -2.11 -1.64 -2.80 1.57 -0.00 -1.26 -4.96 115.22 104.02 2jwx n HIS 154 Ca 0.02 0.65 -0.43 0.00 -0.00 0.00 0.00 57.72 57.97 2jwx n HIS 154 Cb 0.46 -2.76 -0.03 0.00 -0.00 0.00 0.00 29.99 27.66 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 -2.03 2.81 -0.30 1.57 5.04 -1.26 -4.92 115.29 116.19 2jwx s HIS 155 Ca 0.10 -0.95 -0.13 0.00 -1.54 0.00 0.00 55.06 52.54 2jwx s HIS 155 Cb -0.03 -4.40 0.14 0.00 0.04 0.00 0.00 32.58 28.33 2jwx s HIS 155 CO 0.37 -1.67 0.81 -1.58 -2.34 0.00 0.00 174.74 170.32 2jwx s HIS 156 N 3.78 -1.02 -1.95 3.88 2.46 -1.26 -5.15 115.29 116.04 2jwx s HIS 156 Ca 0.33 1.79 0.16 0.00 0.47 0.00 0.00 55.06 57.80 2jwx s HIS 156 Cb -0.07 0.61 0.12 0.00 -0.13 0.00 0.00 32.58 33.11 2jwx s HIS 156 CO -0.03 -0.51 0.99 1.58 -2.47 0.00 0.00 174.74 174.31