#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 0.44 3.36 3.03 0.00 -1.26 -5.17 105.19 105.59 2jwx n GLY 2 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2jwx n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jwx s GLN 3 N 0.00 1.97 0.34 1.61 -2.07 -1.26 -5.12 119.66 115.13 2jwx s GLN 3 Ca 0.00 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.24 2jwx s GLN 3 Cb 0.00 -2.05 -0.10 0.00 -1.09 0.00 0.00 33.01 29.77 2jwx s GLN 3 CO 0.00 0.54 1.28 -1.25 -1.32 0.00 0.00 175.29 174.53 2jwx s PRO 4 N -1.06 4.34 0.09 9.60 0.04 -1.26 -4.95 135.00 141.79 2jwx s PRO 4 Ca 0.12 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.00 2jwx s PRO 4 Cb -0.10 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 2jwx s PRO 4 CO 0.02 -0.18 1.79 -2.14 0.04 0.00 0.00 177.00 176.53 2jwx s PRO 5 N -1.82 4.16 -0.22 0.56 0.02 -1.26 -4.10 135.00 132.34 2jwx s PRO 5 Ca 0.49 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 64.00 2jwx s PRO 5 Cb -0.38 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.44 2jwx s PRO 5 CO 0.51 -0.83 0.06 0.00 -0.33 0.00 0.00 177.00 176.41 2jwx n ALA 6 N 6.00 -3.29 -4.02 -1.55 0.00 -1.26 -5.11 120.51 111.29 2jwx n ALA 6 Ca 0.17 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 2jwx n ALA 6 Cb 0.39 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 2jwx n ALA 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jwx n GLU 7 N 0.36 0.35 -0.70 0.00 0.28 -1.26 -5.03 120.64 114.64 2jwx n GLU 7 Ca 0.01 -2.65 0.00 0.00 -0.16 0.00 0.00 57.16 54.37 2jwx n GLU 7 Cb 0.05 2.10 0.00 0.00 1.43 0.00 0.00 31.44 35.02 2jwx n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jwx n GLU 8 N -0.52 -1.84 -3.77 3.44 2.13 -1.26 -4.80 120.64 114.01 2jwx n GLU 8 Ca 0.05 1.42 -0.27 0.00 0.66 0.00 0.00 57.16 59.02 2jwx n GLU 8 Cb 0.48 -1.77 0.05 0.00 0.27 0.00 0.00 31.44 30.47 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jwx n ALA 9 N -1.90 -1.30 0.27 4.31 0.00 -1.26 -4.74 120.51 115.88 2jwx n ALA 9 Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 2jwx n ALA 9 Cb 0.20 -4.95 -0.08 0.00 0.00 0.00 0.00 19.45 14.61 2jwx n ALA 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jwx h GLU 10 N -2.37 -0.63 0.00 0.00 9.09 -1.89 -3.43 114.58 115.35 2jwx h GLU 10 Ca -0.58 0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.88 2jwx h GLU 10 Cb 1.37 0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.62 2jwx h GLU 10 CO 0.62 -0.36 0.00 1.04 0.05 0.00 0.00 179.01 180.36 2jwx n GLN 11 N -5.32 0.00 0.10 1.06 6.02 -1.26 -4.90 117.38 113.07 2jwx n GLN 11 Ca -0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.70 2jwx n GLN 11 Cb 0.30 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.41 2jwx n GLN 11 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2jwx h PRO 12 N 0.00 0.30 0.00 -1.09 0.11 -1.87 -3.49 132.00 125.96 2jwx h PRO 12 Ca 0.00 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jwx h PRO 12 Cb 0.00 0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2jwx h PRO 12 CO 0.00 1.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.42 2jwx n GLY 13 N 1.58 0.93 0.00 -0.55 0.00 -1.26 -4.99 105.19 100.90 2jwx n GLY 13 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.97 4.61 0.00 -1.26 -4.58 120.51 116.31 2jwx n ALA 14 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2jwx n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jwx n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jwx s LEU 15 N -2.45 -0.24 0.00 0.00 2.96 -1.26 -4.62 118.68 113.07 2jwx s LEU 15 Ca 0.00 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2jwx s LEU 15 Cb 0.00 0.78 0.00 0.00 0.50 0.00 0.00 46.19 47.47 2jwx s LEU 15 CO 0.00 -0.04 0.00 0.00 -1.32 0.00 0.00 176.35 174.99 2jwx n ALA 16 N 4.44 0.00 -0.16 5.97 0.00 -1.26 -4.79 120.51 124.71 2jwx n ALA 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jwx n ALA 16 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.00 -1.11 0.00 5.12 -1.26 -4.53 116.66 114.88 2jwx n ARG 17 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2jwx n ARG 17 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 2jwx n ARG 17 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2jwx n GLU 18 N 14.00 -2.36 -1.60 5.56 1.02 -1.26 -4.80 120.64 131.19 2jwx n GLU 18 Ca 0.00 1.71 -0.51 0.00 -0.02 0.00 0.00 57.16 58.35 2jwx n GLU 18 Cb 0.00 -2.83 -0.06 0.00 -0.02 0.00 0.00 31.44 28.53 2jwx n GLU 18 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2jwx n PHE 19 N -3.79 1.61 0.11 -0.32 -1.74 -0.97 -4.18 117.46 108.18 2jwx n PHE 19 Ca -0.02 0.59 0.00 0.00 -0.56 0.00 0.00 57.45 57.46 2jwx n PHE 19 Cb 0.51 -2.36 0.00 0.00 1.52 0.00 0.00 39.48 39.16 2jwx n PHE 19 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2jwx n LEU 20 N 2.60 0.31 0.00 5.98 4.77 -1.09 -4.82 117.00 124.75 2jwx n LEU 20 Ca 0.18 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2jwx n LEU 20 Cb 0.21 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2jwx n LEU 20 CO 0.62 -0.77 0.00 0.00 -1.33 0.00 0.00 177.39 175.92 2jwx n ALA 21 N -3.47 0.00 -3.13 -1.18 0.00 -1.26 -4.98 120.51 106.49 2jwx n ALA 21 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2jwx n ALA 21 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 2jwx n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jwx s ALA 22 N -1.00 -2.96 0.08 0.00 0.00 -1.26 -4.18 121.76 112.43 2jwx s ALA 22 Ca 0.00 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.01 2jwx s ALA 22 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2jwx s ALA 22 CO 0.00 -2.03 -0.19 -1.64 0.00 0.00 0.00 175.76 171.90 2jwx s MET 23 N 2.58 1.10 -0.21 0.00 1.00 -1.26 -5.07 119.30 117.45 2jwx s MET 23 Ca 0.16 -1.03 0.07 0.00 0.00 0.00 0.00 55.69 54.88 2jwx s MET 23 Cb -0.06 -1.27 -0.17 0.00 0.00 0.00 0.00 34.83 33.33 2jwx s MET 23 CO -0.20 0.30 -0.10 0.39 0.00 0.00 0.00 175.02 175.40 2jwx n GLU 24 N 1.37 0.77 -0.75 2.03 1.02 -1.26 -4.68 120.64 119.14 2jwx n GLU 24 Ca -0.19 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 2jwx n GLU 24 Cb 0.54 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 2jwx n GLU 24 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jwx n PRO 25 N -2.97 1.29 -3.67 3.49 -0.04 -1.26 -4.88 135.00 126.95 2jwx n PRO 25 Ca -0.36 -1.40 -0.21 0.00 -0.04 0.00 0.00 63.50 61.49 2jwx n PRO 25 Cb 0.98 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 2jwx n PRO 25 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jwx s GLU 26 N 4.71 2.69 0.00 0.54 0.41 -1.26 -5.13 118.70 120.66 2jwx s GLU 26 Ca 0.44 -1.35 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 2jwx s GLU 26 Cb 0.11 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.98 2jwx s GLU 26 CO 0.08 -0.02 0.00 -0.35 -0.49 0.00 0.00 175.26 174.48 2jwx n PRO 27 N -1.47 -1.19 -2.66 0.39 -0.04 -1.26 -4.95 135.00 123.81 2jwx n PRO 27 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2jwx n PRO 27 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 2jwx n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 28 N -2.35 3.44 -0.09 0.55 0.00 -1.26 -4.67 121.76 117.38 2jwx s ALA 28 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 2jwx s ALA 28 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2jwx s ALA 28 CO 0.00 -0.66 0.72 -1.25 0.00 0.00 0.00 175.76 174.58 2jwx s PRO 29 N 2.13 4.40 0.07 0.00 0.05 -1.26 -4.31 135.00 136.08 2jwx s PRO 29 Ca 0.49 0.89 0.00 0.00 0.05 0.00 0.00 61.00 62.43 2jwx s PRO 29 Cb -0.19 -3.48 0.00 0.00 0.05 0.00 0.00 34.50 30.88 2jwx s PRO 29 CO 0.17 -0.03 0.00 0.00 0.05 0.00 0.00 177.00 177.19 2jwx n ALA 30 N 4.14 0.00 -2.14 8.56 0.00 -1.26 -4.95 120.51 124.86 2jwx n ALA 30 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2jwx n ALA 30 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.00 2.73 -0.40 0.00 0.02 -1.26 -4.83 135.00 129.27 2jwx s PRO 31 Ca 0.00 0.28 -0.04 0.00 0.02 0.00 0.00 61.00 61.27 2jwx s PRO 31 Cb 0.00 -4.49 0.10 0.00 0.02 0.00 0.00 34.50 30.13 2jwx s PRO 31 CO 0.00 -2.72 0.18 0.00 -0.33 0.00 0.00 177.00 174.13 2jwx s ALA 32 N 8.57 3.13 -1.20 -1.55 0.00 -1.26 -4.80 121.76 124.65 2jwx s ALA 32 Ca 0.62 -2.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.10 2jwx s ALA 32 Cb -0.11 -2.38 0.21 0.00 0.00 0.00 0.00 23.12 20.85 2jwx s ALA 32 CO 0.15 -1.71 1.60 -0.35 0.00 0.00 0.00 175.76 175.45 2jwx n PRO 33 N 4.64 3.76 -2.05 0.00 -0.05 -1.26 -5.01 135.00 135.02 2jwx n PRO 33 Ca -0.05 -3.95 -0.42 0.00 -0.05 0.00 0.00 63.50 59.03 2jwx n PRO 33 Cb 0.42 -2.81 -0.03 0.00 -0.05 0.00 0.00 33.50 31.03 2jwx n PRO 33 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 175.50 173.62 2jwx s GLU 34 N -0.28 4.21 0.00 0.54 -1.05 -1.26 -4.76 118.70 116.10 2jwx s GLU 34 Ca 0.37 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 57.35 2jwx s GLU 34 Cb 0.03 -3.78 0.00 0.00 -0.44 0.00 0.00 34.13 29.94 2jwx s GLU 34 CO 0.02 -0.75 0.58 -1.91 0.95 0.00 0.00 175.26 174.14 2jwx n GLU 35 N 6.32 0.00 -2.37 -4.83 2.13 -1.26 -5.06 120.64 115.56 2jwx n GLU 35 Ca 0.16 -0.15 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 2jwx n GLU 35 Cb 0.42 -0.04 -0.01 0.00 0.27 0.00 0.00 31.44 32.09 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2jwx n TRP 36 N 0.00 -4.09 -2.93 4.31 7.02 -1.26 -4.93 117.44 115.56 2jwx n TRP 36 Ca -0.01 2.43 -0.42 0.00 -1.02 0.00 0.00 57.50 58.48 2jwx n TRP 36 Cb 0.53 -3.44 -0.05 0.00 -2.42 0.00 0.00 31.31 25.93 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 -0.52 4.08 -0.57 -0.99 2.96 -0.49 -4.83 118.68 118.32 2jwx s LEU 37 Ca -0.04 0.86 -0.28 0.00 -0.22 0.00 0.00 54.13 54.45 2jwx s LEU 37 Cb 0.00 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.59 2jwx s LEU 37 CO 0.11 -0.54 1.46 -0.62 -1.32 0.00 0.00 176.35 175.44 2jwx s ASP 38 N 1.46 6.04 0.12 3.68 -1.08 -1.26 -1.59 116.67 124.04 2jwx s ASP 38 Ca 0.33 0.29 -0.22 0.00 -0.52 0.00 0.00 52.55 52.43 2jwx s ASP 38 Cb -0.15 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 2jwx s ASP 38 CO 0.09 -1.78 1.69 0.40 0.52 0.00 0.00 175.17 176.10 2jwx h ILE 39 N 6.42 0.72 -0.01 4.11 2.04 0.36 -2.47 117.51 128.69 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 1.10 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2jwx h ILE 39 CO 1.18 0.00 -0.68 0.18 0.00 0.00 0.00 178.15 178.83 2jwx n LEU 40 N -5.24 1.32 -1.26 1.44 7.99 -1.26 -4.89 117.00 115.10 2jwx n LEU 40 Ca -0.04 -0.51 -0.16 0.00 -0.01 0.00 0.00 56.01 55.28 2jwx n LEU 40 Cb 0.16 -0.04 -0.07 0.00 -0.11 0.00 0.00 43.42 43.36 2jwx n LEU 40 CO 0.25 0.28 -0.16 0.61 -1.51 0.00 0.00 177.39 176.86 2jwx n GLY 41 N 1.46 1.65 0.12 -0.72 0.00 -0.93 -4.86 105.19 101.90 2jwx n GLY 41 Ca 0.07 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2jwx n GLY 41 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jwx h ASN 42 N 0.00 0.00 0.00 1.61 -0.00 -1.87 -3.48 115.58 111.85 2jwx h ASN 42 Ca -0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 55.93 2jwx h ASN 42 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.40 2jwx h ASN 42 CO 0.49 0.02 0.00 0.61 -0.00 0.00 0.00 177.43 178.55 2jwx n GLY 43 N 1.20 3.23 0.10 9.14 0.00 -1.26 -4.81 105.19 112.78 2jwx n GLY 43 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2jwx n GLY 43 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jwx h LEU 44 N 0.00 0.00 -7.85 0.99 -0.00 -1.92 -3.44 115.31 103.09 2jwx h LEU 44 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 2jwx h LEU 44 Cb 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 40.30 2jwx h LEU 44 CO 0.00 0.70 -0.71 -0.22 -0.00 0.00 0.00 178.44 178.21 2jwx s LEU 45 N -6.11 4.28 -0.01 1.67 1.98 -1.24 -1.85 118.68 117.40 2jwx s LEU 45 Ca -0.01 -1.71 0.01 0.00 -2.89 0.00 0.00 54.13 49.52 2jwx s LEU 45 Cb 0.08 -1.66 0.01 0.00 0.66 0.00 0.00 46.19 45.28 2jwx s LEU 45 CO 0.80 -0.33 -0.02 -0.13 -1.89 0.00 0.00 176.35 174.79 2jwx s ARG 46 N 1.08 0.22 -0.09 1.98 0.52 0.12 0.11 118.95 122.89 2jwx s ARG 46 Ca 0.01 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 2jwx s ARG 46 Cb -0.20 -0.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.98 2jwx s ARG 46 CO -0.05 0.00 -0.15 0.21 0.02 0.00 0.00 175.30 175.34 2jwx s LYS 47 N 0.23 2.97 -0.19 3.54 2.20 -0.62 -0.17 119.74 127.70 2jwx s LYS 47 Ca -0.02 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.85 2jwx s LYS 47 Cb -0.04 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 2jwx s LYS 47 CO -0.01 0.38 -0.08 0.21 -0.36 0.00 0.00 175.35 175.49 2jwx s LYS 48 N -0.11 3.34 -0.90 4.03 2.20 0.79 -1.39 119.74 127.70 2jwx s LYS 48 Ca -0.02 -0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 54.68 2jwx s LYS 48 Cb -0.14 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2jwx s LYS 48 CO 0.04 -0.08 1.74 0.95 -0.36 0.00 0.00 175.35 177.63 2jwx s THR 49 N 1.14 3.60 0.00 3.43 -4.23 -1.26 -1.21 115.64 117.11 2jwx s THR 49 Ca 0.01 -0.38 -0.24 0.00 -1.18 0.00 0.00 61.69 59.90 2jwx s THR 49 Cb -0.14 -4.39 -0.18 0.00 1.34 0.00 0.00 72.50 69.12 2jwx s THR 49 CO -0.02 -1.31 1.33 -0.07 -0.54 0.00 0.00 174.62 174.00 2jwx h LEU 50 N 15.81 0.08 -7.92 4.79 3.38 -1.74 -3.40 115.31 126.31 2jwx h LEU 50 Ca 0.07 -0.44 -0.56 0.00 0.09 0.00 0.00 57.88 57.04 2jwx h LEU 50 Cb 1.03 -0.02 -0.35 0.00 0.09 0.00 0.00 40.66 41.40 2jwx h LEU 50 CO 1.28 0.51 -0.82 -0.69 0.09 0.00 0.00 178.44 178.81 2jwx s VAL 51 N -4.45 1.33 -0.13 1.22 1.01 -0.39 -4.91 120.40 114.08 2jwx s VAL 51 Ca -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2jwx s VAL 51 Cb 0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2jwx s VAL 51 CO 0.69 0.41 0.08 -2.16 0.00 0.00 0.00 175.10 174.12 2jwx s PRO 52 N 1.15 3.49 0.62 2.72 0.04 -1.26 -0.18 135.00 141.58 2jwx s PRO 52 Ca -0.04 -0.27 -0.19 0.00 0.04 0.00 0.00 61.00 60.54 2jwx s PRO 52 Cb -0.14 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2jwx s PRO 52 CO -0.03 0.60 1.19 0.41 0.04 0.00 0.00 177.00 179.20 2jwx n GLY 53 N 2.52 0.28 3.64 0.56 0.00 -1.26 -4.18 105.19 106.76 2jwx n GLY 53 Ca -0.18 -0.12 -0.50 0.00 0.00 0.00 0.00 46.02 45.21 2jwx n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jwx n PRO 54 N -1.48 1.80 -0.66 1.61 -0.04 -1.26 -4.56 135.00 130.41 2jwx n PRO 54 Ca 0.14 0.63 -0.19 0.00 -0.04 0.00 0.00 63.50 64.04 2jwx n PRO 54 Cb 0.47 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 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 6.86 0.00 0.00 0.54 -0.02 -1.26 -1.08 135.00 140.04 2jwx n PRO 55 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2jwx n PRO 55 Cb 0.26 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 56 N 2.97 2.30 7.00 -1.23 0.00 -1.26 -4.41 105.19 110.56 2jwx n GLY 56 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2jwx n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jwx n SER 57 N 0.00 0.00 -3.65 1.61 7.64 -0.24 -2.30 113.62 116.67 2jwx n SER 57 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2jwx n SER 57 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.84 -0.76 6.43 0.01 -1.26 -2.67 113.70 110.60 2jwx s SER 58 Ca 0.00 1.36 -0.03 0.00 1.31 0.00 0.00 55.95 58.60 2jwx s SER 58 Cb 0.00 1.37 0.19 0.00 0.21 0.00 0.00 66.02 67.80 2jwx s SER 58 CO 0.00 -0.23 0.62 -0.13 0.41 0.00 0.00 173.24 173.91 2jwx s ARG 59 N 1.81 2.95 0.36 12.44 1.81 -1.26 -0.38 118.95 136.67 2jwx s ARG 59 Ca -0.09 -2.91 -0.28 0.00 -1.72 0.00 0.00 55.73 50.72 2jwx s ARG 59 Cb -0.07 -3.86 -0.11 0.00 -0.45 0.00 0.00 34.95 30.45 2jwx s ARG 59 CO -0.18 -1.23 1.47 -0.35 -0.68 0.00 0.00 175.30 174.34 2jwx n PRO 60 N 2.91 2.57 -3.28 3.54 -0.04 -1.26 -4.97 135.00 134.47 2jwx n PRO 60 Ca 0.15 0.90 -0.34 0.00 -0.04 0.00 0.00 63.50 64.17 2jwx n PRO 60 Cb 0.38 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 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 -0.92 4.79 -0.91 0.52 -7.23 -1.26 -4.11 120.40 111.28 2jwx s VAL 61 Ca 0.56 0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 61.29 2jwx s VAL 61 Cb -0.50 -3.72 -0.20 0.00 0.56 0.00 0.00 36.38 32.53 2jwx s VAL 61 CO 0.61 0.10 2.65 0.29 -0.31 0.00 0.00 175.10 178.44 2jwx n LYS 62 N 0.41 0.18 0.00 4.82 4.01 -1.26 -0.60 118.16 125.72 2jwx n LYS 62 Ca -0.02 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2jwx n LYS 62 Cb 0.52 -1.84 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 2jwx n LYS 62 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jwx n GLY 63 N 6.41 0.54 3.69 0.72 0.00 0.26 -4.87 105.19 111.93 2jwx n GLY 63 Ca 0.61 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 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 4.34 -0.14 1.61 -1.52 0.23 -1.63 119.66 122.54 2jwx s GLN 64 Ca 0.00 0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 54.00 2jwx s GLN 64 Cb 0.00 -3.52 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 2jwx s GLN 64 CO 0.00 -0.15 1.60 0.54 -0.25 0.00 0.00 175.29 177.03 2jwx s VAL 65 N 1.55 3.71 -0.10 1.09 0.11 0.17 -2.46 120.40 124.46 2jwx s VAL 65 Ca 0.36 0.84 0.04 0.00 -2.93 0.00 0.00 61.98 60.28 2jwx s VAL 65 Cb -0.17 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2jwx s VAL 65 CO 0.15 -0.17 -0.23 0.68 -3.33 0.00 0.00 175.10 172.20 2jwx s VAL 66 N 4.53 2.16 -0.41 2.04 -7.23 -1.03 -1.78 120.40 118.69 2jwx s VAL 66 Ca 0.71 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 59.68 2jwx s VAL 66 Cb -0.28 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 34.84 2jwx s VAL 66 CO 0.28 0.56 0.65 -0.89 -0.31 0.00 0.00 175.10 175.38 2jwx s THR 67 N 0.35 4.84 -0.14 5.32 2.01 -0.84 -2.28 115.64 124.90 2jwx s THR 67 Ca -0.18 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 2jwx s THR 67 Cb -0.18 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2jwx s THR 67 CO 0.08 -0.49 -0.14 0.68 -0.69 0.00 0.00 174.62 174.07 2jwx s VAL 68 N 2.80 2.89 -0.37 3.82 -7.23 0.71 -2.45 120.40 120.56 2jwx s VAL 68 Ca 0.24 -0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 59.44 2jwx s VAL 68 Cb -0.14 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2jwx s VAL 68 CO 0.18 0.52 0.95 -2.28 -0.31 0.00 0.00 175.10 174.15 2jwx s HIS 69 N 0.58 3.06 -0.14 2.82 2.46 0.32 0.41 115.29 124.81 2jwx s HIS 69 Ca -0.08 0.80 0.02 0.00 0.47 0.00 0.00 55.06 56.26 2jwx s HIS 69 Cb -0.16 -3.71 0.02 0.00 -0.13 0.00 0.00 32.58 28.60 2jwx s HIS 69 CO 0.03 -0.86 -0.18 -1.17 -2.47 0.00 0.00 174.74 170.09 2jwx s LEU 70 N 3.56 1.92 -0.26 8.88 0.20 0.36 0.15 118.68 133.48 2jwx s LEU 70 Ca 0.39 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.70 2jwx s LEU 70 Cb -0.12 -1.30 0.06 0.00 -0.43 0.00 0.00 46.19 44.41 2jwx s LEU 70 CO 0.19 0.02 -0.10 -1.10 -0.29 0.00 0.00 176.35 175.08 2jwx s GLN 71 N 1.07 2.25 -0.20 1.98 1.11 -0.94 0.11 119.66 125.04 2jwx s GLN 71 Ca -0.03 -1.35 -0.14 0.00 0.01 0.00 0.00 55.36 53.86 2jwx s GLN 71 Cb -0.14 -2.92 -0.04 0.00 -1.01 0.00 0.00 33.01 28.90 2jwx s GLN 71 CO -0.05 -0.58 0.31 0.99 0.01 0.00 0.00 175.29 175.97 2jwx s THR 72 N 1.11 5.27 0.14 -0.19 2.01 -0.31 -2.45 115.64 121.22 2jwx s THR 72 Ca -0.09 0.53 0.06 0.00 0.31 0.00 0.00 61.69 62.50 2jwx s THR 72 Cb -0.20 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2jwx s THR 72 CO -0.05 0.31 0.03 -0.44 -0.69 0.00 0.00 174.62 173.78 2jwx s SER 73 N 0.89 5.02 0.90 3.53 0.01 0.18 0.10 113.70 124.33 2jwx s SER 73 Ca 0.15 -0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 2jwx s SER 73 Cb -0.14 -1.17 0.13 0.00 0.21 0.00 0.00 66.02 65.05 2jwx s SER 73 CO 0.06 0.12 1.10 -0.22 0.41 0.00 0.00 173.24 174.71 2jwx s LEU 74 N -2.71 2.17 0.58 2.44 2.96 0.18 0.19 118.68 124.48 2jwx s LEU 74 Ca 0.27 1.36 0.28 0.00 -0.22 0.00 0.00 54.13 55.83 2jwx s LEU 74 Cb -0.10 -3.76 1.52 0.00 0.50 0.00 0.00 46.19 44.34 2jwx s LEU 74 CO 0.19 -2.62 1.98 1.05 -1.32 0.00 0.00 176.35 175.63 2jwx h GLU 75 N -1.54 0.00 -0.07 1.98 4.11 -1.18 0.55 114.58 118.44 2jwx h GLU 75 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jwx h GLU 75 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jwx h GLU 75 CO 0.56 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.73 2jwx n ASN 76 N -3.88 0.44 0.00 3.06 3.02 -1.26 -4.89 115.26 111.75 2jwx n ASN 76 Ca 0.07 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 2jwx n ASN 76 Cb 0.55 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jwx n GLY 77 N 0.71 3.00 3.62 7.41 0.00 0.19 -4.98 105.19 115.14 2jwx n GLY 77 Ca 0.07 0.00 -0.43 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 -1.59 3.45 -0.08 2.61 2.01 -1.26 -4.44 115.64 116.35 2jwx s THR 78 Ca 0.00 0.50 -0.34 0.00 0.31 0.00 0.00 61.69 62.16 2jwx s THR 78 Cb 0.00 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 2jwx s THR 78 CO 0.00 -0.24 1.85 0.54 -0.69 0.00 0.00 174.62 176.07 2jwx n ARG 79 N 8.01 2.12 0.00 4.92 3.00 -1.26 0.51 116.66 133.97 2jwx n ARG 79 Ca 0.22 0.78 0.10 0.00 -0.01 0.00 0.00 57.85 58.93 2jwx n ARG 79 Cb 0.45 -2.61 -0.11 0.00 0.00 0.00 0.00 32.46 30.20 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 4.96 0.00 -3.57 1.55 0.24 0.11 -4.88 118.33 116.75 2jwx n VAL 80 Ca 0.22 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.40 2jwx n VAL 80 Cb 0.29 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 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 -2.92 0.57 -0.12 7.34 -2.07 -1.15 -4.63 119.66 116.68 2jwx s GLN 81 Ca 0.09 -0.02 -0.03 0.00 -1.82 0.00 0.00 55.36 53.58 2jwx s GLN 81 Cb 0.16 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.39 2jwx s GLN 81 CO 0.83 -0.21 0.04 -2.00 -1.32 0.00 0.00 175.29 172.63 2jwx s GLU 82 N -1.84 0.39 -0.55 9.60 2.12 -1.26 -1.16 118.70 125.99 2jwx s GLU 82 Ca 0.03 -0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 2jwx s GLU 82 Cb -0.01 -1.42 0.14 0.00 0.26 0.00 0.00 34.13 33.10 2jwx s GLU 82 CO -0.03 -0.49 0.43 -1.21 -0.54 0.00 0.00 175.26 173.42 2jwx s GLU 83 N 2.01 2.68 -1.14 4.30 0.41 0.30 -4.98 118.70 122.28 2jwx s GLU 83 Ca 0.03 -1.99 -0.21 0.00 -0.41 0.00 0.00 54.97 52.39 2jwx s GLU 83 Cb -0.14 -3.99 0.05 0.00 -1.78 0.00 0.00 34.13 28.26 2jwx s GLU 83 CO -0.06 -1.21 1.62 -1.25 -0.49 0.00 0.00 175.26 173.87 2jwx s PRO 84 N 0.97 3.64 0.00 0.39 0.05 -1.26 -0.49 135.00 138.30 2jwx s PRO 84 Ca 0.09 -1.44 0.00 0.00 0.05 0.00 0.00 61.00 59.70 2jwx s PRO 84 Cb -0.23 -5.41 0.00 0.00 0.05 0.00 0.00 34.50 28.91 2jwx s PRO 84 CO -0.02 -2.39 0.00 0.39 0.05 0.00 0.00 177.00 175.03 2jwx n GLU 85 N 8.65 0.00 -3.72 4.56 1.02 -1.24 -4.96 120.64 124.95 2jwx n GLU 85 Ca 0.41 0.22 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 2jwx n GLU 85 Cb 0.48 -0.55 -0.12 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.21 4.64 -0.12 -4.62 2.96 0.17 -4.78 118.68 116.72 2jwx s LEU 86 Ca 0.00 -1.35 -0.04 0.00 -0.22 0.00 0.00 54.13 52.52 2jwx s LEU 86 Cb 0.00 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2jwx s LEU 86 CO 0.00 -0.41 0.04 0.54 -1.32 0.00 0.00 176.35 175.21 2jwx s VAL 87 N 1.37 4.68 0.18 1.68 0.11 -1.23 -0.21 120.40 126.98 2jwx s VAL 87 Ca 0.01 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 2jwx s VAL 87 Cb -0.21 -3.02 0.02 0.00 -1.53 0.00 0.00 36.38 31.65 2jwx s VAL 87 CO 0.02 0.58 0.47 0.72 -3.33 0.00 0.00 175.10 173.55 2jwx s PHE 88 N -0.62 -0.04 -0.56 1.54 -0.71 -0.96 -4.95 117.98 111.67 2jwx s PHE 88 Ca 0.11 -0.31 -0.27 0.00 -1.04 0.00 0.00 56.93 55.42 2jwx s PHE 88 Cb -0.12 0.30 -0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2jwx s PHE 88 CO 0.02 -0.86 1.63 0.99 -1.34 0.00 0.00 175.22 175.67 2jwx s THR 89 N -3.88 3.57 0.23 -4.49 2.01 -1.26 -2.45 115.64 109.36 2jwx s THR 89 Ca 0.10 0.44 -0.32 0.00 0.31 0.00 0.00 61.69 62.22 2jwx s THR 89 Cb 0.00 -4.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.22 2jwx s THR 89 CO -0.03 -1.01 1.64 -0.11 -0.69 0.00 0.00 174.62 174.41 2jwx n LEU 90 N 10.90 3.85 0.00 4.42 7.94 -1.03 -2.29 117.00 140.79 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 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.91 2jwx n LEU 90 CO 0.71 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.63 2jwx n GLY 91 N 3.22 2.92 1.30 -3.96 0.00 -0.98 0.89 105.19 108.58 2jwx n GLY 91 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2jwx n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jwx n ASP 92 N 0.00 3.29 -3.10 1.61 2.03 -0.97 -4.82 116.55 114.60 2jwx n ASP 92 Ca 0.00 -2.55 -0.23 0.00 0.52 0.00 0.00 54.79 52.54 2jwx n ASP 92 Cb 0.00 -0.61 0.03 0.00 -0.72 0.00 0.00 41.12 39.81 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 -1.29 0.00 0.00 0.00 1.82 -1.88 -3.45 116.42 111.63 2jwx h ASP 94 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2jwx h ASP 94 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2jwx h ASP 94 CO 0.56 0.00 0.00 1.33 -1.61 0.00 0.00 179.24 179.52 2jwx n VAL 95 N -2.57 0.00 -2.90 2.25 0.24 -1.26 -4.89 118.33 109.20 2jwx n VAL 95 Ca 0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.94 2jwx n VAL 95 Cb 0.32 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.97 4.30 0.41 1.34 -4.36 -1.26 -4.92 121.20 118.68 2jwx s ILE 96 Ca 0.00 1.73 0.18 0.00 -0.26 0.00 0.00 60.65 62.30 2jwx s ILE 96 Cb 0.00 -4.08 0.39 0.00 1.25 0.00 0.00 42.46 40.02 2jwx s ILE 96 CO 0.00 0.34 1.81 -0.61 0.24 0.00 0.00 174.94 176.72 2jwx h GLN 97 N 3.75 0.38 -0.66 0.37 5.75 -1.41 0.37 115.11 123.66 2jwx h GLN 97 Ca -0.47 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.15 2jwx h GLN 97 Cb 1.20 -0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.56 2jwx h GLN 97 CO 0.66 0.25 0.07 0.00 -2.65 0.00 0.00 178.83 177.17 2jwx h ALA 98 N 1.60 0.74 0.06 3.38 0.00 -0.49 -1.91 119.26 122.65 2jwx h ALA 98 Ca 0.53 0.18 -0.27 0.00 0.00 0.00 0.00 54.91 55.35 2jwx h ALA 98 Cb 1.36 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2jwx h ALA 98 CO -0.23 -0.37 -1.39 1.25 0.00 0.00 0.00 179.25 178.52 2jwx h LEU 99 N 0.18 0.20 -1.04 0.00 5.85 -0.58 -2.07 115.31 117.86 2jwx h LEU 99 Ca 0.36 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2jwx h LEU 99 Cb 0.59 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jwx h LEU 99 CO -0.52 1.23 -0.37 0.44 -0.34 0.00 0.00 178.44 178.88 2jwx h ASP 100 N 0.04 0.20 0.41 1.25 3.32 -0.87 -2.65 116.42 118.12 2jwx h ASP 100 Ca -0.17 -0.08 -0.30 0.00 0.02 0.00 0.00 57.03 56.49 2jwx h ASP 100 Cb 1.94 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 41.38 2jwx h ASP 100 CO 0.14 0.56 -1.82 0.18 -1.72 0.00 0.00 179.24 176.58 2jwx n LEU 101 N -4.06 0.72 -0.04 1.55 4.77 -0.76 -2.33 117.00 116.86 2jwx n LEU 101 Ca -0.01 0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 56.15 2jwx n LEU 101 Cb 0.44 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 2jwx n LEU 101 CO 0.41 0.41 0.34 0.77 -1.33 0.00 0.00 177.39 177.98 2jwx h SER 102 N 0.00 0.93 0.08 -1.43 4.64 -1.06 -2.85 113.55 113.86 2jwx h SER 102 Ca -0.33 -0.56 0.02 0.00 -0.47 0.00 0.00 61.79 60.45 2jwx h SER 102 Cb 2.05 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.83 2jwx h SER 102 CO 0.07 1.36 -0.26 0.58 -0.87 0.00 0.00 176.83 177.72 2jwx h VAL 103 N 0.58 0.43 0.00 0.95 2.07 -1.71 0.10 116.25 118.67 2jwx h VAL 103 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2jwx h VAL 103 Cb 1.30 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2jwx h VAL 103 CO 0.14 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.28 2jwx h PRO 104 N -0.44 0.00 -0.00 1.57 0.13 -1.71 0.39 132.00 131.94 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 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2jwx h PRO 104 CO -0.17 0.00 -0.20 1.28 -0.23 0.00 0.00 178.00 178.68 2jwx n LEU 105 N -2.97 0.65 -4.67 1.56 4.77 -0.44 -4.58 117.00 111.33 2jwx n LEU 105 Ca -0.01 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 2jwx n LEU 105 Cb 0.16 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2jwx n LEU 105 CO 0.22 0.13 -0.32 0.00 -1.33 0.00 0.00 177.39 176.08 2jwx s MET 106 N -2.58 2.41 0.27 3.23 0.23 0.14 -5.05 119.30 117.95 2jwx s MET 106 Ca 0.24 -1.18 0.01 0.00 -1.03 0.00 0.00 55.69 53.73 2jwx s MET 106 Cb 0.19 -2.32 -0.04 0.00 -1.53 0.00 0.00 34.83 31.13 2jwx s MET 106 CO 0.52 0.43 0.45 -0.51 -2.03 0.00 0.00 175.02 173.88 2jwx s ASP 107 N -3.17 6.34 0.11 -1.18 1.11 -1.26 -4.52 116.67 114.10 2jwx s ASP 107 Ca 0.29 0.36 -0.31 0.00 0.18 0.00 0.00 52.55 53.06 2jwx s ASP 107 Cb -0.09 -1.99 -0.09 0.00 1.07 0.00 0.00 42.92 41.82 2jwx s ASP 107 CO 0.19 -0.15 1.65 -0.69 1.18 0.00 0.00 175.17 177.35 2jwx s VAL 108 N -2.08 2.82 0.00 -1.27 1.01 0.48 -1.72 120.40 119.64 2jwx s VAL 108 Ca 0.38 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2jwx s VAL 108 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2jwx s VAL 108 CO 0.32 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2jwx n GLY 109 N 3.96 0.58 3.90 4.51 0.00 -0.33 -4.49 105.19 113.32 2jwx n GLY 109 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.98 3.61 -0.20 1.61 2.12 -0.70 -4.18 118.70 119.98 2jwx s GLU 110 Ca 0.00 0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 2jwx s GLU 110 Cb 0.00 -2.43 0.06 0.00 0.26 0.00 0.00 34.13 32.02 2jwx s GLU 110 CO 0.00 -0.09 0.02 0.99 -0.54 0.00 0.00 175.26 175.64 2jwx s THR 111 N -2.54 0.69 -0.05 -1.70 2.01 0.75 -2.52 115.64 112.29 2jwx s THR 111 Ca 0.48 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2jwx s THR 111 Cb -0.10 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 2jwx s THR 111 CO 0.39 -0.18 -0.16 0.00 -0.69 0.00 0.00 174.62 173.98 2jwx s ALA 112 N 1.78 1.43 -0.23 7.40 0.00 -0.83 -1.26 121.76 130.06 2jwx s ALA 112 Ca -0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 2jwx s ALA 112 Cb -0.17 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2jwx s ALA 112 CO -0.08 0.24 0.41 1.41 0.00 0.00 0.00 175.76 177.74 2jwx s MET 113 N 0.14 4.11 -0.23 0.00 -2.45 -0.35 -0.25 119.30 120.26 2jwx s MET 113 Ca -0.05 0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.57 2jwx s MET 113 Cb -0.12 -3.59 0.04 0.00 1.25 0.00 0.00 34.83 32.41 2jwx s MET 113 CO 0.02 -0.16 -0.14 0.08 1.05 0.00 0.00 175.02 175.88 2jwx s VAL 114 N 1.69 2.24 -0.39 10.11 1.01 0.12 -0.15 120.40 135.03 2jwx s VAL 114 Ca 0.18 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 2jwx s VAL 114 Cb -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2jwx s VAL 114 CO 0.09 0.21 0.72 0.42 0.00 0.00 0.00 175.10 176.53 2jwx s THR 115 N 1.20 4.78 -0.04 3.92 -4.23 0.77 -0.06 115.64 121.97 2jwx s THR 115 Ca -0.02 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2jwx s THR 115 Cb -0.17 -4.19 0.02 0.00 1.34 0.00 0.00 72.50 69.50 2jwx s THR 115 CO -0.08 -0.49 -0.02 0.00 -0.54 0.00 0.00 174.62 173.49 2jwx s ALA 116 N 2.98 0.55 0.86 3.99 0.00 0.08 0.12 121.76 130.36 2jwx s ALA 116 Ca 0.27 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 2jwx s ALA 116 Cb -0.13 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2jwx s ALA 116 CO 0.18 -0.09 0.50 -3.47 0.00 0.00 0.00 175.76 172.89 2jwx n ASP 117 N 4.21 -1.56 0.23 0.00 -0.08 -0.77 0.22 116.55 118.80 2jwx n ASP 117 Ca -0.23 0.43 0.07 0.00 -1.51 0.00 0.00 54.79 53.55 2jwx n ASP 117 Cb 0.51 -1.23 0.56 0.00 2.34 0.00 0.00 41.12 43.30 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 -1.12 0.00 -0.02 1.67 0.87 -1.24 0.39 113.55 114.11 2jwx h SER 118 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2jwx h SER 118 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2jwx h SER 118 CO 0.38 0.16 0.03 0.07 -0.53 0.00 0.00 176.83 176.94 2jwx h LYS 119 N 0.00 0.00 -0.03 2.24 2.10 -1.86 1.66 116.57 120.68 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 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jwx h LYS 119 CO 0.02 0.00 -0.06 0.66 -2.00 0.00 0.00 179.45 178.08 2jwx n TYR 120 N -3.50 0.00 0.00 0.07 4.01 0.11 -4.74 117.16 113.10 2jwx n TYR 120 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2jwx n TYR 120 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jwx n TYR 122 N -1.47 0.00 0.06 0.00 4.01 0.29 -4.60 117.16 115.46 2jwx n TYR 122 Ca 0.00 -0.14 -0.03 0.00 -0.16 0.00 0.00 57.90 57.58 2jwx n TYR 122 Cb 0.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 2jwx n TYR 122 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jwx h GLY 123 N 0.00 -0.32 -1.28 2.72 0.00 0.18 0.29 103.07 104.65 2jwx h GLY 123 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2jwx h GLY 123 CO 0.00 -0.12 0.00 -1.55 0.00 0.00 0.00 176.54 174.87 2jwx n PRO 124 N -2.52 1.87 -0.00 4.80 -0.04 -1.26 -4.34 135.00 133.51 2jwx n PRO 124 Ca -0.02 -1.06 -0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2jwx n PRO 124 Cb 0.07 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.01 -0.19 0.54 6.02 -1.13 -5.14 117.38 117.78 2jwx n GLN 125 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2jwx n GLN 125 Cb 0.34 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 30.87 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 3.19 -2.96 3.96 1.08 0.00 0.10 -4.99 105.19 105.58 2jwx n GLY 126 Ca -0.01 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.26 5.58 0.12 1.61 0.15 -0.64 -4.73 113.70 112.53 2jwx s SER 127 Ca 0.00 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.65 2jwx s SER 127 Cb 0.00 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2jwx s SER 127 CO 0.00 -0.90 1.61 0.08 1.20 0.00 0.00 173.24 175.23 2jwx h ARG 128 N 0.24 0.57 0.00 5.44 0.11 -1.98 -3.38 114.38 115.37 2jwx h ARG 128 Ca -0.44 -0.14 -0.14 0.00 0.10 0.00 0.00 59.98 59.36 2jwx h ARG 128 Cb 1.27 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 2jwx h ARG 128 CO 0.55 0.62 -1.40 0.45 0.10 0.00 0.00 179.97 180.29 2jwx n SER 129 N -4.61 1.93 -4.98 0.08 2.88 -1.26 -4.99 113.62 102.67 2jwx n SER 129 Ca -0.01 0.36 -0.20 0.00 -1.33 0.00 0.00 58.87 57.69 2jwx n SER 129 Cb 0.20 -0.78 0.02 0.00 -0.75 0.00 0.00 64.21 62.90 2jwx n SER 129 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jwx s PRO 130 N -2.72 2.74 -0.33 -1.46 0.05 -1.26 -5.07 135.00 126.94 2jwx s PRO 130 Ca -0.31 -0.85 -0.10 0.00 0.05 0.00 0.00 61.00 59.79 2jwx s PRO 130 Cb 0.07 -2.58 0.00 0.00 0.05 0.00 0.00 34.50 32.04 2jwx s PRO 130 CO 0.44 -0.48 0.17 -0.47 0.05 0.00 0.00 177.00 176.70 2jwx s TYR 131 N -2.59 3.20 -0.23 0.56 5.04 -1.26 -1.62 117.35 120.44 2jwx s TYR 131 Ca 0.54 -0.68 -0.29 0.00 -2.44 0.00 0.00 57.07 54.20 2jwx s TYR 131 Cb -0.10 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 39.83 2jwx s TYR 131 CO 0.37 -0.51 1.13 0.42 -1.34 0.00 0.00 175.55 175.61 2jwx s ILE 132 N 1.60 4.50 -0.38 3.14 -1.09 -1.26 -4.85 121.20 122.85 2jwx s ILE 132 Ca 0.04 1.79 -0.34 0.00 -2.23 0.00 0.00 60.65 59.90 2jwx s ILE 132 Cb -0.18 -4.23 -0.15 0.00 -1.58 0.00 0.00 42.46 36.32 2jwx s ILE 132 CO 0.07 -0.25 1.52 -2.65 -1.23 0.00 0.00 174.94 172.40 2jwx n PRO 133 N 6.58 0.00 -1.74 2.79 -0.02 -1.26 -4.41 135.00 136.94 2jwx n PRO 133 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2jwx n PRO 133 Cb 0.46 -1.15 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 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 4.94 2.71 -0.91 0.52 -0.02 -1.26 -0.00 135.00 140.98 2jwx n PRO 134 Ca 0.37 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 2jwx n PRO 134 Cb -0.04 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 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 2.52 0.00 -2.11 6.00 8.25 -1.26 -4.94 115.22 123.69 2jwx n HIS 135 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2jwx n HIS 135 Cb 0.36 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 -3.33 3.62 -0.32 -1.41 0.00 1.00 -4.28 121.76 117.05 2jwx s ALA 136 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 2jwx s ALA 136 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.45 2jwx s ALA 136 CO 0.00 -1.18 1.20 0.00 0.00 0.00 0.00 175.76 175.78 2jwx s ALA 137 N 3.25 3.40 0.73 0.00 0.00 -1.26 -0.98 121.76 126.89 2jwx s ALA 137 Ca 0.68 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2jwx s ALA 137 Cb -0.32 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.08 2jwx s ALA 137 CO 0.27 -1.70 1.08 -0.51 0.00 0.00 0.00 175.76 174.90 2jwx s LEU 138 N 4.10 2.85 -0.31 0.00 2.01 0.13 -0.64 118.68 126.83 2jwx s LEU 138 Ca 0.51 1.34 -0.03 0.00 0.01 0.00 0.00 54.13 55.96 2jwx s LEU 138 Cb -0.14 -4.10 0.11 0.00 0.01 0.00 0.00 46.19 42.07 2jwx s LEU 138 CO 0.21 -1.58 0.14 0.00 1.01 0.00 0.00 176.35 176.12 2jwx s LEU 140 N 1.83 2.86 -0.40 0.00 2.34 0.91 0.47 118.68 126.69 2jwx s LEU 140 Ca 0.11 -0.34 -0.20 0.00 0.06 0.00 0.00 54.13 53.76 2jwx s LEU 140 Cb -0.17 -1.69 0.01 0.00 -0.56 0.00 0.00 46.19 43.78 2jwx s LEU 140 CO -0.29 0.07 0.60 -0.70 -1.06 0.00 0.00 176.35 174.97 2jwx s GLU 141 N 0.92 3.40 0.01 1.48 2.12 -1.03 0.16 118.70 125.76 2jwx s GLU 141 Ca -0.01 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 2jwx s GLU 141 Cb -0.15 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 2jwx s GLU 141 CO 0.00 -0.88 0.11 0.14 -0.54 0.00 0.00 175.26 174.10 2jwx s VAL 142 N 2.65 4.88 -0.29 3.70 -7.23 0.65 -2.22 120.40 122.55 2jwx s VAL 142 Ca 0.21 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2jwx s VAL 142 Cb -0.15 -3.26 0.07 0.00 0.56 0.00 0.00 36.38 33.60 2jwx s VAL 142 CO 0.17 0.31 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.33 2jwx s THR 143 N -1.25 2.33 -0.30 5.32 2.01 0.12 -1.96 115.64 121.91 2jwx s THR 143 Ca 0.25 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.26 2jwx s THR 143 Cb -0.12 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2jwx s THR 143 CO 0.16 -0.18 0.69 -0.22 -0.69 0.00 0.00 174.62 174.38 2jwx s LEU 144 N 1.08 4.12 -0.03 4.42 0.20 -1.05 -0.52 118.68 126.90 2jwx s LEU 144 Ca -0.04 0.54 0.05 0.00 0.69 0.00 0.00 54.13 55.38 2jwx s LEU 144 Cb -0.20 -2.92 -0.08 0.00 -0.43 0.00 0.00 46.19 42.57 2jwx s LEU 144 CO -0.05 -0.52 0.08 2.29 -0.29 0.00 0.00 176.35 177.86 2jwx n LYS 145 N 5.99 1.45 -3.72 1.98 2.85 -1.03 -1.18 118.16 124.50 2jwx n LYS 145 Ca 0.01 -0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.12 2jwx n LYS 145 Cb 0.49 -1.13 -0.10 0.00 -0.65 0.00 0.00 35.03 33.63 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 -2.28 -0.01 -0.14 0.58 2.01 -1.24 -4.88 115.64 109.67 2jwx s THR 146 Ca -0.02 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 2jwx s THR 146 Cb 0.03 -0.58 0.07 0.00 0.01 0.00 0.00 72.50 72.02 2jwx s THR 146 CO 0.23 0.02 0.31 0.00 -0.69 0.00 0.00 174.62 174.48 2jwx s ALA 147 N 0.69 -0.73 -0.03 7.40 0.00 -1.25 -1.99 121.76 125.85 2jwx s ALA 147 Ca -0.04 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 2jwx s ALA 147 Cb -0.05 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.07 2jwx s ALA 147 CO -0.05 -0.57 0.24 0.14 0.00 0.00 0.00 175.76 175.53 2jwx s VAL 148 N 2.20 0.05 -0.07 0.00 -7.23 -0.73 -4.19 120.40 110.43 2jwx s VAL 148 Ca -0.02 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2jwx s VAL 148 Cb -0.11 -0.49 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2jwx s VAL 148 CO -0.10 -0.22 1.83 -0.62 -0.31 0.00 0.00 175.10 175.68 2jwx s ASP 149 N -0.92 6.40 -0.14 4.85 2.15 -1.26 0.43 116.67 128.18 2jwx s ASP 149 Ca -0.10 2.26 0.09 0.00 0.43 0.00 0.00 52.55 55.23 2jwx s ASP 149 Cb -0.05 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.27 2jwx s ASP 149 CO 0.02 -1.15 1.21 -0.11 -0.17 0.00 0.00 175.17 174.98 2jwx n LEU 150 N 8.03 -0.70 0.00 -1.34 7.94 -0.99 -4.85 117.00 125.08 2jwx n LEU 150 Ca 0.20 -2.49 -0.12 0.00 -1.11 0.00 0.00 56.01 52.48 2jwx n LEU 150 Cb 0.43 0.07 0.10 0.00 0.53 0.00 0.00 43.42 44.55 2jwx n LEU 150 CO 0.65 1.41 0.24 1.21 -1.11 0.00 0.00 177.39 179.80 2jwx n GLU 151 N -0.51 -1.96 -2.22 1.96 0.00 -0.65 -4.81 120.64 112.44 2jwx n GLU 151 Ca -0.18 -0.71 -0.42 0.00 0.00 0.00 0.00 57.16 55.85 2jwx n GLU 151 Cb 0.82 -0.68 0.00 0.00 0.00 0.00 0.00 31.44 31.59 2jwx n GLU 151 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jwx n HIS 152 N -3.51 2.96 -2.31 4.31 8.25 -1.26 -4.96 115.22 118.70 2jwx n HIS 152 Ca 0.06 -2.81 -0.43 0.00 -0.26 0.00 0.00 57.72 54.28 2jwx n HIS 152 Cb 0.24 -2.02 -0.02 0.00 1.12 0.00 0.00 29.99 29.31 2jwx n HIS 152 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jwx s HIS 153 N 0.64 2.72 0.00 4.41 2.46 -1.25 -4.81 115.29 119.45 2jwx s HIS 153 Ca 0.42 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.79 2jwx s HIS 153 Cb 0.11 -3.60 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 2jwx s HIS 153 CO -0.01 -2.20 0.00 1.58 -2.47 0.00 0.00 174.74 171.63 2jwx n HIS 154 N 6.31 0.00 -3.15 3.88 -0.00 -1.25 -5.07 115.22 115.94 2jwx n HIS 154 Ca 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.90 2jwx n HIS 154 Cb 0.44 0.13 -0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2jwx n HIS 154 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jwx s HIS 155 N -1.55 -1.79 0.00 1.57 5.65 -1.26 -4.95 115.29 112.96 2jwx s HIS 155 Ca 0.00 1.13 0.00 0.00 0.25 0.00 0.00 55.06 56.44 2jwx s HIS 155 Cb 0.00 0.34 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 2jwx s HIS 155 CO 0.00 -1.04 0.00 1.58 -0.65 0.00 0.00 174.74 174.63 2jwx n HIS 156 N 5.41 0.00 1.60 3.88 -0.00 -1.26 -5.26 115.22 119.58 2jwx n HIS 156 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.91 2jwx n HIS 156 Cb 0.54 0.00 0.61 0.00 -0.00 0.00 0.00 29.99 31.13 2jwx n HIS 156 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92