#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 2.61 2.79 3.03 0.00 -1.26 -5.15 105.19 107.21 2jwx n GLY 2 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2jwx n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jwx s GLN 3 N 2.70 0.63 0.19 1.61 0.74 -1.26 -5.14 119.66 119.14 2jwx s GLN 3 Ca 0.00 0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 2jwx s GLN 3 Cb 0.00 -0.95 -0.08 0.00 1.10 0.00 0.00 33.01 33.08 2jwx s GLN 3 CO 0.00 -0.27 1.04 -2.14 -0.55 0.00 0.00 175.29 173.36 2jwx s PRO 4 N 1.83 4.68 0.19 1.67 0.02 -1.26 -5.01 135.00 137.12 2jwx s PRO 4 Ca 0.03 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 2jwx s PRO 4 Cb -0.12 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 2jwx s PRO 4 CO -0.05 0.22 1.38 -2.14 -0.33 0.00 0.00 177.00 176.09 2jwx s PRO 5 N -0.62 4.33 -0.31 5.54 0.02 -1.26 -5.01 135.00 137.69 2jwx s PRO 5 Ca 0.46 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.66 2jwx s PRO 5 Cb -0.28 -3.18 0.09 0.00 0.02 0.00 0.00 34.50 31.15 2jwx s PRO 5 CO 0.34 -0.37 0.03 0.00 -0.33 0.00 0.00 177.00 176.67 2jwx s ALA 6 N 0.39 2.41 -0.06 -1.55 0.00 -1.26 -5.01 121.76 116.68 2jwx s ALA 6 Ca 0.60 -2.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 2jwx s ALA 6 Cb -0.39 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2jwx s ALA 6 CO 0.37 -1.56 2.43 0.39 0.00 0.00 0.00 175.76 177.39 2jwx n GLU 7 N 4.47 1.39 0.00 0.00 -0.58 -1.26 -4.87 120.64 119.79 2jwx n GLU 7 Ca -0.01 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 2jwx n GLU 7 Cb 0.42 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2jwx n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2jwx n GLU 8 N 1.58 0.00 -3.70 3.49 2.13 -1.26 -4.22 120.64 118.66 2jwx n GLU 8 Ca 0.16 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.68 2jwx n GLU 8 Cb 0.61 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.18 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jwx s ALA 9 N -0.78 1.58 -0.09 4.31 0.00 -1.26 -4.95 121.76 120.57 2jwx s ALA 9 Ca 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 51.96 50.16 2jwx s ALA 9 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 2jwx s ALA 9 CO 0.00 -1.78 -0.24 -2.00 0.00 0.00 0.00 175.76 171.74 2jwx s GLU 10 N 1.34 2.91 -1.41 0.00 2.12 -1.26 -4.57 118.70 117.82 2jwx s GLU 10 Ca 0.12 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 2jwx s GLU 10 Cb -0.19 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 31.94 2jwx s GLU 10 CO -0.19 0.25 0.47 1.04 -0.54 0.00 0.00 175.26 176.29 2jwx n GLN 11 N 3.33 -3.48 -0.00 4.30 3.00 -1.26 -4.17 117.38 119.11 2jwx n GLN 11 Ca -0.18 0.43 -0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jwx n GLN 11 Cb 0.53 -4.63 -0.00 0.00 0.00 0.00 0.00 30.24 26.13 2jwx n GLN 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2jwx n PRO 12 N -4.39 0.00 0.00 -1.09 -0.02 -1.26 -4.56 135.00 123.67 2jwx n PRO 12 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2jwx n PRO 12 Cb 0.67 -0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.15 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwx n GLY 13 N 0.02 1.00 3.82 -1.23 0.00 -1.26 -5.01 105.19 102.52 2jwx n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.33 4.61 0.00 -1.26 -4.94 120.51 116.58 2jwx n ALA 14 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2jwx n ALA 14 Cb 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jwx s LEU 15 N 0.00 3.18 -0.31 0.00 1.43 -1.26 -5.05 118.68 116.68 2jwx s LEU 15 Ca 0.00 -0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 2jwx s LEU 15 Cb 0.00 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2jwx s LEU 15 CO 0.00 -0.67 2.01 0.00 0.23 0.00 0.00 176.35 177.92 2jwx s ALA 16 N -2.57 2.69 0.12 4.21 0.00 -1.26 -4.94 121.76 120.01 2jwx s ALA 16 Ca 0.43 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2jwx s ALA 16 Cb -0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 2jwx s ALA 16 CO 0.25 -2.89 -0.05 0.50 0.00 0.00 0.00 175.76 173.57 2jwx s ARG 17 N 6.19 0.92 0.00 0.00 6.06 -1.26 -5.15 118.95 125.71 2jwx s ARG 17 Ca 0.88 -1.40 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 2jwx s ARG 17 Cb -0.26 -0.24 0.00 0.00 0.06 0.00 0.00 34.95 34.51 2jwx s ARG 17 CO 0.33 -0.04 0.00 0.39 -2.50 0.00 0.00 175.30 173.47 2jwx n GLU 18 N -0.11 0.00 -2.94 5.12 1.02 -1.26 -4.84 120.64 117.64 2jwx n GLU 18 Ca -0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.96 2jwx n GLU 18 Cb 0.61 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.04 2jwx n GLU 18 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2jwx n PHE 19 N 0.00 -3.05 -0.07 -0.32 3.72 -0.88 -4.85 117.46 112.01 2jwx n PHE 19 Ca 0.00 1.30 -0.06 0.00 -0.05 0.00 0.00 57.45 58.64 2jwx n PHE 19 Cb 0.00 -3.28 -0.02 0.00 -0.94 0.00 0.00 39.48 35.24 2jwx n PHE 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jwx n LEU 20 N 0.39 1.77 -4.62 4.37 4.77 -0.94 -4.77 117.00 117.97 2jwx n LEU 20 Ca 0.03 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 2jwx n LEU 20 Cb 0.31 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2jwx n LEU 20 CO 0.40 -0.40 1.04 0.00 -1.33 0.00 0.00 177.39 177.10 2jwx s ALA 21 N -2.81 3.28 0.33 -1.18 0.00 -1.26 -4.96 121.76 115.16 2jwx s ALA 21 Ca -0.19 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 2jwx s ALA 21 Cb 0.03 -3.82 0.06 0.00 0.00 0.00 0.00 23.12 19.39 2jwx s ALA 21 CO 0.29 -1.98 0.87 0.00 0.00 0.00 0.00 175.76 174.94 2jwx s ALA 22 N 4.28 -0.97 0.00 0.00 0.00 -1.26 -2.29 121.76 121.52 2jwx s ALA 22 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2jwx s ALA 22 Cb -0.10 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2jwx s ALA 22 CO 0.26 -1.01 0.00 -0.12 0.00 0.00 0.00 175.76 174.89 2jwx n MET 23 N -0.59 4.95 -4.13 0.00 1.56 -1.26 -4.89 117.12 112.77 2jwx n MET 23 Ca -0.07 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.27 2jwx n MET 23 Cb 0.60 -0.52 -0.10 0.00 2.15 0.00 0.00 33.22 35.35 2jwx n MET 23 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2jwx s GLU 24 N -0.23 0.92 -0.08 2.12 2.56 -1.26 -5.03 118.70 117.70 2jwx s GLU 24 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 54.97 53.28 2jwx s GLU 24 Cb 0.00 0.25 -0.35 0.00 2.00 0.00 0.00 34.13 36.03 2jwx s GLU 24 CO 0.00 -0.26 1.62 -2.30 -0.56 0.00 0.00 175.26 173.76 2jwx n PRO 25 N -0.09 0.16 -1.63 4.30 -0.02 -1.26 -4.91 135.00 131.54 2jwx n PRO 25 Ca -0.06 -1.08 -0.49 0.00 -2.02 0.00 0.00 63.50 59.85 2jwx n PRO 25 Cb 0.63 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2jwx n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jwx n GLU 26 N 7.85 1.71 -0.29 -0.52 4.71 -1.26 -4.99 120.64 127.86 2jwx n GLU 26 Ca 0.47 0.62 -0.12 0.00 -0.01 0.00 0.00 57.16 58.12 2jwx n GLU 26 Cb 0.41 -2.33 0.10 0.00 -1.01 0.00 0.00 31.44 28.62 2jwx n GLU 26 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2jwx n PRO 27 N 2.99 -2.29 -1.79 3.49 -0.02 -1.26 -4.97 135.00 131.14 2jwx n PRO 27 Ca 0.17 -0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 60.64 2jwx n PRO 27 Cb 0.25 -0.66 0.04 0.00 -0.02 0.00 0.00 33.50 33.10 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 -2.66 2.82 1.01 3.55 0.00 -1.26 -5.01 121.76 120.21 2jwx s ALA 28 Ca 0.27 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 2jwx s ALA 28 Cb -0.03 -3.56 0.20 0.00 0.00 0.00 0.00 23.12 19.72 2jwx s ALA 28 CO 0.21 -1.36 1.08 -2.14 0.00 0.00 0.00 175.76 173.55 2jwx s PRO 29 N -2.91 0.29 -0.80 0.00 0.02 -1.26 -5.01 135.00 125.34 2jwx s PRO 29 Ca 0.71 1.07 0.02 0.00 0.02 0.00 0.00 61.00 62.82 2jwx s PRO 29 Cb -0.40 -1.68 0.24 0.00 0.02 0.00 0.00 34.50 32.68 2jwx s PRO 29 CO 0.47 -2.97 0.87 0.00 -0.33 0.00 0.00 177.00 175.05 2jwx n ALA 30 N -4.42 4.15 -1.87 -1.55 0.00 -1.26 -4.99 120.51 110.57 2jwx n ALA 30 Ca 0.07 -4.71 -0.22 0.00 0.00 0.00 0.00 53.44 48.57 2jwx n ALA 30 Cb 0.54 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.16 1.91 -0.09 0.00 0.04 -1.26 -4.86 135.00 128.58 2jwx s PRO 31 Ca 0.33 -0.88 -0.14 0.00 0.04 0.00 0.00 61.00 60.36 2jwx s PRO 31 Cb 0.05 -5.13 -0.05 0.00 0.04 0.00 0.00 34.50 29.41 2jwx s PRO 31 CO -0.04 -4.68 0.33 0.00 0.04 0.00 0.00 177.00 172.66 2jwx s ALA 32 N 13.71 3.66 -0.96 8.56 0.00 -1.26 -4.99 121.76 140.49 2jwx s ALA 32 Ca 0.74 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 2jwx s ALA 32 Cb -0.02 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 2jwx s ALA 32 CO 0.16 0.31 2.08 -2.30 0.00 0.00 0.00 175.76 176.00 2jwx n PRO 33 N 2.68 1.99 -2.52 0.00 -0.02 -1.26 -4.24 135.00 131.62 2jwx n PRO 33 Ca -0.13 -1.86 -0.21 0.00 -2.02 0.00 0.00 63.50 59.28 2jwx n PRO 33 Cb 0.52 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2jwx n PRO 33 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jwx n GLU 34 N 5.89 -2.33 -0.12 -0.52 1.02 -1.26 -4.86 120.64 118.45 2jwx n GLU 34 Ca 0.50 0.96 0.10 0.00 -0.02 0.00 0.00 57.16 58.71 2jwx n GLU 34 Cb 0.31 -5.63 0.31 0.00 -0.02 0.00 0.00 31.44 26.41 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jwx n GLU 35 N -3.17 1.92 -1.06 3.49 2.13 -1.26 -5.04 120.64 117.64 2jwx n GLU 35 Ca -0.21 -1.39 0.11 0.00 0.66 0.00 0.00 57.16 56.33 2jwx n GLU 35 Cb 0.67 -1.40 -0.05 0.00 0.27 0.00 0.00 31.44 30.93 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 0.61 -2.25 -3.77 4.31 7.02 -1.26 -4.95 117.44 117.14 2jwx n TRP 36 Ca 0.16 1.22 -0.21 0.00 -1.02 0.00 0.00 57.50 57.65 2jwx n TRP 36 Cb 0.38 -2.05 -0.17 0.00 -2.42 0.00 0.00 31.31 27.05 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N -5.94 0.54 -0.87 -0.99 2.96 -0.88 -4.93 118.68 108.58 2jwx s LEU 37 Ca 0.00 -0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.64 2jwx s LEU 37 Cb 0.00 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.39 2jwx s LEU 37 CO 0.00 -0.19 1.59 -0.62 -1.32 0.00 0.00 176.35 175.80 2jwx s ASP 38 N 1.88 5.92 0.14 3.68 -1.08 -1.26 -2.17 116.67 123.77 2jwx s ASP 38 Ca 0.03 -0.77 -0.21 0.00 -0.52 0.00 0.00 52.55 51.07 2jwx s ASP 38 Cb -0.12 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.79 2jwx s ASP 38 CO -0.04 -2.01 1.66 0.40 0.52 0.00 0.00 175.17 175.70 2jwx h ILE 39 N 6.74 0.54 -0.55 4.11 2.04 -0.77 -2.03 117.51 127.59 2jwx h ILE 39 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jwx h ILE 39 Cb 1.04 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2jwx h ILE 39 CO 1.31 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 179.35 2jwx n LEU 40 N -5.32 3.64 -2.35 1.44 7.94 -1.25 -4.89 117.00 116.21 2jwx n LEU 40 Ca -0.01 -2.10 -0.10 0.00 -1.11 0.00 0.00 56.01 52.68 2jwx n LEU 40 Cb 0.24 -0.40 -0.01 0.00 0.53 0.00 0.00 43.42 43.78 2jwx n LEU 40 CO 0.18 0.85 -0.13 0.61 -1.11 0.00 0.00 177.39 177.80 2jwx n GLY 41 N 1.04 -0.37 0.00 -3.96 0.00 -0.77 -4.79 105.19 96.34 2jwx n GLY 41 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.62 0.83 0.00 1.61 2.04 -1.26 -4.97 115.26 111.89 2jwx n ASN 42 Ca -0.12 -0.46 0.00 0.00 -0.44 0.00 0.00 54.58 53.56 2jwx n ASN 42 Cb 0.57 1.41 0.00 0.00 -2.53 0.00 0.00 39.78 39.24 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 1.44 2.92 0.09 4.83 0.00 -1.26 -4.70 105.19 108.51 2jwx n GLY 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -7.43 0.99 4.07 -1.93 -3.43 115.31 107.58 2jwx h LEU 44 Ca 0.00 -0.15 -0.61 0.00 0.08 0.00 0.00 57.88 57.20 2jwx h LEU 44 Cb 0.00 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.34 2jwx h LEU 44 CO 0.00 0.07 -0.75 -0.22 -1.08 0.00 0.00 178.44 176.46 2jwx s LEU 45 N -4.59 3.10 0.00 1.67 1.98 -1.22 -1.90 118.68 117.73 2jwx s LEU 45 Ca 0.05 -1.70 -0.01 0.00 -2.89 0.00 0.00 54.13 49.59 2jwx s LEU 45 Cb 0.12 -1.17 -0.01 0.00 0.66 0.00 0.00 46.19 45.79 2jwx s LEU 45 CO 0.72 -0.37 0.01 -0.13 -1.89 0.00 0.00 176.35 174.70 2jwx s ARG 46 N 1.35 0.17 -0.05 1.98 0.52 0.91 0.02 118.95 123.85 2jwx s ARG 46 Ca 0.07 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.08 2jwx s ARG 46 Cb -0.18 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 2jwx s ARG 46 CO -0.15 -0.03 -0.19 0.21 0.02 0.00 0.00 175.30 175.16 2jwx s LYS 47 N -0.65 2.45 -0.17 3.54 2.20 -0.92 0.02 119.74 126.20 2jwx s LYS 47 Ca -0.07 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 2jwx s LYS 47 Cb -0.04 -2.27 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2jwx s LYS 47 CO -0.00 0.55 -0.15 0.21 -0.36 0.00 0.00 175.35 175.59 2jwx s LYS 48 N -0.55 2.49 -0.66 4.03 2.20 0.71 -2.08 119.74 125.88 2jwx s LYS 48 Ca 0.08 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.71 2jwx s LYS 48 Cb -0.11 -2.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 2jwx s LYS 48 CO 0.01 -0.27 1.76 0.95 -0.36 0.00 0.00 175.35 177.44 2jwx s THR 49 N 1.40 3.43 -0.03 3.43 -4.23 -1.26 -1.03 115.64 117.34 2jwx s THR 49 Ca 0.04 0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.52 2jwx s THR 49 Cb -0.14 -4.13 -0.26 0.00 1.34 0.00 0.00 72.50 69.32 2jwx s THR 49 CO -0.11 -1.09 1.01 -0.07 -0.54 0.00 0.00 174.62 173.82 2jwx h LEU 50 N 15.89 0.44 -7.72 4.79 3.38 -1.76 -3.41 115.31 126.92 2jwx h LEU 50 Ca -0.24 -0.83 -0.48 0.00 0.09 0.00 0.00 57.88 56.42 2jwx h LEU 50 Cb 1.13 -0.14 -0.36 0.00 0.09 0.00 0.00 40.66 41.39 2jwx h LEU 50 CO 1.23 1.23 -0.79 -0.69 0.09 0.00 0.00 178.44 179.51 2jwx s VAL 51 N -2.91 0.80 -0.12 1.22 1.01 0.00 -5.01 120.40 115.39 2jwx s VAL 51 Ca -0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2jwx s VAL 51 Cb 0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2jwx s VAL 51 CO 0.81 0.31 0.10 -2.16 0.00 0.00 0.00 175.10 174.16 2jwx s PRO 52 N 1.36 3.39 0.24 2.72 0.04 -1.26 -0.15 135.00 141.33 2jwx s PRO 52 Ca -0.03 -0.21 -0.31 0.00 0.04 0.00 0.00 61.00 60.49 2jwx s PRO 52 Cb -0.14 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.19 2jwx s PRO 52 CO -0.03 0.71 1.66 0.20 0.04 0.00 0.00 177.00 179.58 2jwx s GLY 53 N -0.86 1.60 -0.04 0.56 0.00 -1.26 -4.76 107.32 102.55 2jwx s GLY 53 Ca 0.14 1.57 -0.37 0.00 0.00 0.00 0.00 44.72 46.05 2jwx s GLY 53 CO 0.03 2.73 1.54 -1.05 0.00 0.00 0.00 173.10 176.35 2jwx n PRO 54 N 3.24 1.33 -0.81 2.90 -0.02 -1.26 -4.63 135.00 135.75 2jwx n PRO 54 Ca 0.13 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 2jwx n PRO 54 Cb 0.36 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.90 0.00 0.00 0.52 -0.01 -1.26 -1.11 135.00 137.04 2jwx n PRO 55 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.70 2jwx n PRO 55 Cb 0.19 -0.88 0.00 0.00 -0.01 0.00 0.00 33.50 32.80 2jwx n PRO 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jwx n GLY 56 N 3.83 2.40 4.05 -1.23 0.00 -1.26 -4.79 105.19 108.19 2jwx n GLY 56 Ca 0.28 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.90 0.00 -3.65 1.61 7.64 -0.27 -2.06 113.62 117.79 2jwx n SER 57 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 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 -2.33 -0.77 -0.66 6.43 0.01 -1.26 -2.22 113.70 112.90 2jwx s SER 58 Ca 0.00 1.38 -0.01 0.00 1.31 0.00 0.00 55.95 58.63 2jwx s SER 58 Cb 0.00 1.34 0.17 0.00 0.21 0.00 0.00 66.02 67.73 2jwx s SER 58 CO 0.00 -0.23 0.47 -0.13 0.41 0.00 0.00 173.24 173.76 2jwx s ARG 59 N 0.83 2.58 0.20 12.44 1.81 -0.97 -0.39 118.95 135.45 2jwx s ARG 59 Ca -0.04 -2.74 -0.32 0.00 -1.72 0.00 0.00 55.73 50.91 2jwx s ARG 59 Cb -0.05 -3.67 -0.11 0.00 -0.45 0.00 0.00 34.95 30.66 2jwx s ARG 59 CO -0.07 -1.19 1.65 -1.25 -0.68 0.00 0.00 175.30 173.77 2jwx s PRO 60 N -0.44 4.16 0.22 3.54 0.04 -1.20 -4.26 135.00 137.05 2jwx s PRO 60 Ca 0.19 2.51 -0.13 0.00 0.04 0.00 0.00 61.00 63.62 2jwx s PRO 60 Cb -0.18 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2jwx s PRO 60 CO -0.05 -0.69 0.59 0.14 0.04 0.00 0.00 177.00 177.03 2jwx s VAL 61 N 1.06 4.84 -0.92 -0.36 -7.23 -1.26 -3.97 120.40 112.55 2jwx s VAL 61 Ca 0.72 0.73 -0.32 0.00 -1.81 0.00 0.00 61.98 61.30 2jwx s VAL 61 Cb -0.47 -3.67 -0.21 0.00 0.56 0.00 0.00 36.38 32.58 2jwx s VAL 61 CO 0.33 0.04 2.62 0.29 -0.31 0.00 0.00 175.10 178.07 2jwx n LYS 62 N 0.21 0.04 0.00 4.82 4.01 -1.26 -0.87 118.16 125.11 2jwx n LYS 62 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2jwx n LYS 62 Cb 0.52 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.47 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 6.60 0.68 3.66 0.72 0.00 0.34 -4.75 105.19 112.44 2jwx n GLY 63 Ca 0.64 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.25 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 4.25 -0.27 1.61 -1.52 -0.05 -0.77 119.66 122.91 2jwx s GLN 64 Ca 0.00 0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 53.96 2jwx s GLN 64 Cb 0.00 -3.59 -0.01 0.00 -0.22 0.00 0.00 33.01 29.19 2jwx s GLN 64 CO 0.00 -0.32 1.53 0.54 -0.25 0.00 0.00 175.29 176.79 2jwx s VAL 65 N 2.15 3.81 -0.11 1.09 0.11 0.19 -2.56 120.40 125.08 2jwx s VAL 65 Ca 0.34 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 60.29 2jwx s VAL 65 Cb -0.16 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.80 2jwx s VAL 65 CO 0.11 -0.40 -0.11 0.68 -3.33 0.00 0.00 175.10 172.05 2jwx s VAL 66 N 5.16 3.27 -0.41 2.04 -7.23 -0.90 -2.57 120.40 119.76 2jwx s VAL 66 Ca 0.67 -0.60 -0.21 0.00 -1.81 0.00 0.00 61.98 60.03 2jwx s VAL 66 Cb -0.21 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.39 2jwx s VAL 66 CO 0.28 0.55 0.64 -0.89 -0.31 0.00 0.00 175.10 175.37 2jwx s THR 67 N -0.07 4.84 -0.15 5.32 2.01 -0.82 -2.17 115.64 124.61 2jwx s THR 67 Ca -0.01 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.25 2jwx s THR 67 Cb -0.14 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.22 2jwx s THR 67 CO 0.03 -0.52 -0.21 0.68 -0.69 0.00 0.00 174.62 173.92 2jwx s VAL 68 N 2.79 1.99 -0.33 3.82 -7.23 0.90 -1.44 120.40 120.90 2jwx s VAL 68 Ca 0.23 -0.92 -0.26 0.00 -1.81 0.00 0.00 61.98 59.22 2jwx s VAL 68 Cb -0.14 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.04 2jwx s VAL 68 CO 0.18 0.53 0.92 -2.28 -0.31 0.00 0.00 175.10 174.15 2jwx s HIS 69 N 0.98 3.14 -0.09 2.82 2.46 0.47 0.40 115.29 125.47 2jwx s HIS 69 Ca -0.03 0.91 0.05 0.00 0.47 0.00 0.00 55.06 56.45 2jwx s HIS 69 Cb -0.15 -3.52 -0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2jwx s HIS 69 CO -0.05 -0.72 -0.24 -0.48 -2.47 0.00 0.00 174.74 170.78 2jwx s LEU 70 N 3.35 2.07 -0.28 8.88 2.34 -0.54 0.05 118.68 134.55 2jwx s LEU 70 Ca 0.38 -0.53 0.01 0.00 0.06 0.00 0.00 54.13 54.05 2jwx s LEU 70 Cb -0.13 -1.37 0.06 0.00 -0.56 0.00 0.00 46.19 44.19 2jwx s LEU 70 CO 0.16 0.18 -0.05 -1.10 -1.06 0.00 0.00 176.35 174.48 2jwx s GLN 71 N 0.20 2.30 -0.17 1.48 1.11 -0.85 0.30 119.66 124.03 2jwx s GLN 71 Ca -0.14 -1.34 -0.11 0.00 0.01 0.00 0.00 55.36 53.78 2jwx s GLN 71 Cb -0.17 -3.05 -0.05 0.00 -1.01 0.00 0.00 33.01 28.74 2jwx s GLN 71 CO 0.07 -0.62 0.20 0.99 0.01 0.00 0.00 175.29 175.94 2jwx s THR 72 N 1.17 5.37 0.15 -0.19 2.01 0.86 -2.66 115.64 122.36 2jwx s THR 72 Ca -0.06 0.34 0.11 0.00 0.31 0.00 0.00 61.69 62.39 2jwx s THR 72 Cb -0.20 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2jwx s THR 72 CO -0.03 0.46 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.67 2jwx s SER 73 N 0.13 3.44 0.97 3.53 0.01 0.59 -0.60 113.70 121.77 2jwx s SER 73 Ca 0.13 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.50 2jwx s SER 73 Cb -0.12 -0.28 0.17 0.00 0.21 0.00 0.00 66.02 66.00 2jwx s SER 73 CO 0.01 0.16 1.09 -0.76 0.41 0.00 0.00 173.24 174.15 2jwx s LEU 74 N -2.29 1.88 0.51 2.44 1.43 0.18 -0.10 118.68 122.73 2jwx s LEU 74 Ca 0.17 1.44 0.22 0.00 -1.03 0.00 0.00 54.13 54.92 2jwx s LEU 74 Cb -0.09 -3.71 1.33 0.00 0.03 0.00 0.00 46.19 43.75 2jwx s LEU 74 CO 0.08 -3.04 2.08 1.05 0.23 0.00 0.00 176.35 176.75 2jwx h GLU 75 N -1.83 0.00 0.00 1.70 4.11 -1.37 0.36 114.58 117.55 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 0.11 0.00 -0.97 0.07 0.00 0.00 179.01 178.76 2jwx h ASN 76 N 0.00 0.00 0.00 3.06 -1.24 -1.91 -3.47 115.58 112.03 2jwx h ASN 76 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jwx h ASN 76 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2jwx h ASN 76 CO 0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2jwx n GLY 77 N 0.10 0.73 3.60 1.57 0.00 0.13 -5.04 105.19 106.28 2jwx n GLY 77 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 4.05 -0.36 2.61 2.01 -1.26 -4.36 115.64 116.18 2jwx s THR 78 Ca 0.00 1.08 -0.34 0.00 0.31 0.00 0.00 61.69 62.74 2jwx s THR 78 Cb 0.00 -4.38 -0.11 0.00 0.01 0.00 0.00 72.50 68.02 2jwx s THR 78 CO 0.00 -0.85 2.23 -1.14 -0.69 0.00 0.00 174.62 174.16 2jwx n ARG 79 N 7.93 1.15 0.02 4.92 3.00 -1.26 0.49 116.66 132.91 2jwx n ARG 79 Ca 0.14 0.29 0.02 0.00 -0.00 0.00 0.00 57.85 58.31 2jwx n ARG 79 Cb 0.48 -2.59 -0.10 0.00 0.00 0.00 0.00 32.46 30.26 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 7.34 0.95 -3.59 5.15 0.24 0.23 -4.93 118.33 123.71 2jwx n VAL 80 Ca 0.40 -0.66 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 2jwx n VAL 80 Cb 0.27 -0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 32.05 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 -3.02 0.89 -0.14 7.34 -2.07 -1.19 -4.59 119.66 116.88 2jwx s GLN 81 Ca -0.04 0.66 0.02 0.00 -1.82 0.00 0.00 55.36 54.18 2jwx s GLN 81 Cb 0.09 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 2jwx s GLN 81 CO 0.83 -0.18 -0.19 -2.00 -1.32 0.00 0.00 175.29 172.42 2jwx s GLU 82 N -0.27 3.12 -0.34 9.60 2.12 -1.26 -0.10 118.70 131.57 2jwx s GLU 82 Ca -0.04 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.52 2jwx s GLU 82 Cb -0.03 -2.50 0.10 0.00 0.26 0.00 0.00 34.13 31.96 2jwx s GLU 82 CO 0.04 0.05 0.06 -2.00 -0.54 0.00 0.00 175.26 172.87 2jwx s GLU 83 N 0.70 1.56 -1.04 4.30 2.56 0.15 -4.99 118.70 121.94 2jwx s GLU 83 Ca -0.09 -1.86 -0.23 0.00 0.00 0.00 0.00 54.97 52.79 2jwx s GLU 83 Cb -0.16 -3.24 -0.05 0.00 2.00 0.00 0.00 34.13 32.68 2jwx s GLU 83 CO 0.01 -0.94 1.91 -1.25 -0.56 0.00 0.00 175.26 174.43 2jwx s PRO 84 N 0.93 2.63 0.00 4.30 0.04 -1.26 -1.46 135.00 140.18 2jwx s PRO 84 Ca 0.10 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.40 2jwx s PRO 84 Cb -0.19 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.18 2jwx s PRO 84 CO -0.07 -3.53 0.00 0.39 0.04 0.00 0.00 177.00 173.82 2jwx n GLU 85 N 8.61 0.00 -3.44 4.56 4.71 -1.26 -4.95 120.64 128.88 2jwx n GLU 85 Ca 0.42 0.17 -0.42 0.00 -0.01 0.00 0.00 57.16 57.32 2jwx n GLU 85 Cb 0.47 -0.39 -0.10 0.00 -1.01 0.00 0.00 31.44 30.41 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 -0.11 4.87 -0.10 -4.62 2.96 0.16 -4.72 118.68 117.12 2jwx s LEU 86 Ca 0.00 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 2jwx s LEU 86 Cb 0.00 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2jwx s LEU 86 CO 0.00 -0.43 -0.13 0.54 -1.32 0.00 0.00 176.35 175.01 2jwx s VAL 87 N 1.82 3.08 0.19 1.68 0.11 -1.23 -0.07 120.40 125.99 2jwx s VAL 87 Ca 0.07 -0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 58.27 2jwx s VAL 87 Cb -0.18 -2.27 0.03 0.00 -1.53 0.00 0.00 36.38 32.44 2jwx s VAL 87 CO 0.11 0.55 0.54 0.72 -3.33 0.00 0.00 175.10 173.68 2jwx s PHE 88 N -0.01 -0.18 -0.50 1.54 -0.71 -0.92 -4.95 117.98 112.25 2jwx s PHE 88 Ca -0.04 -0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.43 2jwx s PHE 88 Cb -0.14 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 2jwx s PHE 88 CO 0.04 -0.91 1.54 0.99 -1.34 0.00 0.00 175.22 175.53 2jwx s THR 89 N -3.86 3.70 0.40 -4.49 2.01 -1.26 -2.13 115.64 110.02 2jwx s THR 89 Ca 0.08 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 2jwx s THR 89 Cb -0.01 -4.19 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 2jwx s THR 89 CO -0.04 -0.92 1.43 -0.22 -0.69 0.00 0.00 174.62 174.18 2jwx s LEU 90 N 6.48 4.26 0.00 4.42 2.96 -1.06 -2.58 118.68 133.16 2jwx s LEU 90 Ca 0.61 2.94 0.00 0.00 -0.22 0.00 0.00 54.13 57.46 2jwx s LEU 90 Cb -0.14 -3.76 0.00 0.00 0.50 0.00 0.00 46.19 42.79 2jwx s LEU 90 CO 0.28 -0.92 0.00 0.61 -1.32 0.00 0.00 176.35 174.99 2jwx n GLY 91 N 0.55 1.08 1.20 7.98 0.00 -1.22 0.12 105.19 114.91 2jwx n GLY 91 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 3.69 -3.53 1.61 2.03 -1.07 -4.85 116.55 114.44 2jwx n ASP 92 Ca 0.00 -1.99 -0.26 0.00 0.52 0.00 0.00 54.79 53.06 2jwx n ASP 92 Cb 0.00 -0.40 0.03 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.70 0.62 0.00 0.00 2.03 -1.25 -4.72 116.55 110.54 2jwx n ASP 94 Ca -0.01 0.67 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2jwx n ASP 94 Cb 0.56 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.20 0.00 -2.55 5.18 0.24 -1.26 -4.94 118.33 112.81 2jwx n VAL 95 Ca 0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.91 2jwx n VAL 95 Cb 0.20 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 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 1.00 3.70 0.58 1.34 -4.36 -1.26 -4.87 121.20 117.32 2jwx s ILE 96 Ca 0.00 1.66 0.28 0.00 -0.26 0.00 0.00 60.65 62.33 2jwx s ILE 96 Cb 0.00 -4.06 0.37 0.00 1.25 0.00 0.00 42.46 40.02 2jwx s ILE 96 CO 0.00 0.37 2.01 -0.61 0.24 0.00 0.00 174.94 176.96 2jwx h GLN 97 N 4.15 0.00 -0.31 0.37 5.75 -1.38 0.31 115.11 123.99 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 1.21 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.69 2jwx h GLN 97 CO 0.68 0.00 -0.15 0.00 -2.65 0.00 0.00 178.83 176.72 2jwx h ALA 98 N 1.65 0.10 0.00 3.38 0.00 -1.05 -2.32 119.26 121.02 2jwx h ALA 98 Ca 0.15 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 2jwx h ALA 98 Cb 0.79 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jwx h ALA 98 CO -0.00 -0.53 -1.09 1.25 0.00 0.00 0.00 179.25 178.87 2jwx h LEU 99 N -0.10 0.00 -0.62 0.00 5.85 -0.72 -2.31 115.31 117.42 2jwx h LEU 99 Ca 0.16 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 2jwx h LEU 99 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jwx h LEU 99 CO -0.38 0.77 -0.61 -0.78 -0.34 0.00 0.00 178.44 177.10 2jwx h ASP 100 N 0.00 0.31 0.42 1.25 3.58 -0.98 -2.67 116.42 118.32 2jwx h ASP 100 Ca -0.10 -0.18 -0.31 0.00 0.42 0.00 0.00 57.03 56.87 2jwx h ASP 100 Cb 1.67 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.59 2jwx h ASP 100 CO 0.08 0.85 -1.75 -0.07 -2.88 0.00 0.00 179.24 175.47 2jwx h LEU 101 N 0.20 0.12 -0.36 2.28 3.38 -1.52 -3.24 115.31 116.17 2jwx h LEU 101 Ca -0.01 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2jwx h LEU 101 Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jwx h LEU 101 CO 0.10 1.22 -0.27 0.77 0.09 0.00 0.00 178.44 180.35 2jwx h SER 102 N 0.02 0.86 -0.09 -0.43 4.64 -1.18 -2.89 113.55 114.48 2jwx h SER 102 Ca -0.31 -0.44 0.04 0.00 -0.47 0.00 0.00 61.79 60.61 2jwx h SER 102 Cb 2.01 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 63.81 2jwx h SER 102 CO 0.09 1.12 -0.22 0.58 -0.87 0.00 0.00 176.83 177.52 2jwx h VAL 103 N 0.61 0.46 0.00 0.95 2.07 -1.73 0.13 116.25 118.75 2jwx h VAL 103 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2jwx h VAL 103 Cb 0.84 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2jwx h VAL 103 CO 0.07 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 177.01 2jwx h PRO 104 N -0.31 0.00 -0.01 1.57 0.11 -1.67 0.65 132.00 132.33 2jwx h PRO 104 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2jwx h PRO 104 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2jwx h PRO 104 CO -0.27 0.00 -0.17 1.28 -0.21 0.00 0.00 178.00 178.63 2jwx n LEU 105 N -2.58 1.52 -4.74 2.35 4.77 0.06 -4.68 117.00 113.70 2jwx n LEU 105 Ca -0.01 -0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 55.16 2jwx n LEU 105 Cb 0.09 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2jwx n LEU 105 CO 0.15 0.27 -0.28 -0.32 -1.33 0.00 0.00 177.39 175.88 2jwx s MET 106 N -2.28 2.90 0.27 3.23 1.75 0.23 -4.87 119.30 120.53 2jwx s MET 106 Ca 0.29 -0.58 -0.05 0.00 -1.25 0.00 0.00 55.69 54.09 2jwx s MET 106 Cb 0.20 -2.75 -0.05 0.00 2.84 0.00 0.00 34.83 35.06 2jwx s MET 106 CO 0.44 0.62 0.54 -0.51 -0.65 0.00 0.00 175.02 175.46 2jwx s ASP 107 N -1.79 6.47 0.13 1.11 1.11 -1.26 -4.41 116.67 118.03 2jwx s ASP 107 Ca 0.23 0.73 -0.31 0.00 0.18 0.00 0.00 52.55 53.37 2jwx s ASP 107 Cb -0.12 -2.15 -0.10 0.00 1.07 0.00 0.00 42.92 41.62 2jwx s ASP 107 CO 0.14 -0.17 1.78 -0.69 1.18 0.00 0.00 175.17 177.42 2jwx s VAL 108 N -2.03 2.53 0.00 -1.27 1.01 0.48 -1.37 120.40 119.75 2jwx s VAL 108 Ca 0.44 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2jwx s VAL 108 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jwx s VAL 108 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2jwx n GLY 109 N 4.15 0.34 3.85 4.51 0.00 -0.35 -4.48 105.19 113.22 2jwx n GLY 109 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 3.79 -0.18 1.61 2.12 -0.47 -4.40 118.70 120.21 2jwx s GLU 110 Ca 0.00 0.86 -0.03 0.00 0.36 0.00 0.00 54.97 56.16 2jwx s GLU 110 Cb 0.00 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.34 2jwx s GLU 110 CO 0.00 -0.41 0.04 0.99 -0.54 0.00 0.00 175.26 175.34 2jwx s THR 111 N -2.87 0.42 -0.01 -1.70 2.01 0.78 -2.45 115.64 111.82 2jwx s THR 111 Ca 0.57 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2jwx s THR 111 Cb -0.10 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2jwx s THR 111 CO 0.42 -0.19 -0.11 0.00 -0.69 0.00 0.00 174.62 174.04 2jwx s ALA 112 N 1.91 0.95 -0.25 7.40 0.00 -0.84 -0.82 121.76 130.11 2jwx s ALA 112 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2jwx s ALA 112 Cb -0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2jwx s ALA 112 CO -0.08 0.23 0.37 1.41 0.00 0.00 0.00 175.76 177.70 2jwx s MET 113 N -0.30 4.06 -0.21 0.00 -2.45 -0.20 -0.62 119.30 119.58 2jwx s MET 113 Ca 0.04 0.08 -0.00 0.00 -1.25 0.00 0.00 55.69 54.55 2jwx s MET 113 Cb -0.05 -3.62 0.02 0.00 1.25 0.00 0.00 34.83 32.43 2jwx s MET 113 CO -0.00 -0.20 -0.14 0.08 1.05 0.00 0.00 175.02 175.81 2jwx s VAL 114 N 1.83 2.48 -0.37 10.11 1.01 0.59 -0.20 120.40 135.84 2jwx s VAL 114 Ca 0.16 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2jwx s VAL 114 Cb -0.15 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2jwx s VAL 114 CO 0.09 0.41 0.65 0.42 0.00 0.00 0.00 175.10 176.67 2jwx s THR 115 N 1.32 4.86 -0.04 3.92 -4.23 0.10 -0.18 115.64 121.40 2jwx s THR 115 Ca 0.03 0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2jwx s THR 115 Cb -0.14 -4.11 0.03 0.00 1.34 0.00 0.00 72.50 69.61 2jwx s THR 115 CO -0.09 -0.39 0.06 0.00 -0.54 0.00 0.00 174.62 173.66 2jwx s ALA 116 N 2.77 0.16 0.89 3.99 0.00 0.06 -0.06 121.76 129.57 2jwx s ALA 116 Ca 0.25 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 2jwx s ALA 116 Cb -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2jwx s ALA 116 CO 0.16 -0.38 0.52 -3.47 0.00 0.00 0.00 175.76 172.59 2jwx n ASP 117 N 4.98 -1.57 0.22 0.00 -0.08 -0.80 0.22 116.55 119.51 2jwx n ASP 117 Ca -0.10 0.41 0.06 0.00 -1.51 0.00 0.00 54.79 53.65 2jwx n ASP 117 Cb 0.50 -1.24 0.49 0.00 2.34 0.00 0.00 41.12 43.21 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 -1.27 0.00 0.16 1.67 0.87 -1.49 0.26 113.55 113.75 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 0.37 0.26 -0.01 0.07 -0.53 0.00 0.00 176.83 177.00 2jwx h LYS 119 N 0.00 0.00 -0.19 2.24 2.10 -1.86 1.63 116.57 120.49 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 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2jwx h LYS 119 CO 0.03 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.15 2jwx n TYR 120 N -3.20 0.23 0.00 0.07 4.02 0.73 -4.73 117.16 114.28 2jwx n TYR 120 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 2jwx n TYR 120 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.43 0.00 0.00 0.00 4.01 0.40 -4.59 117.16 115.55 2jwx n TYR 122 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2jwx n TYR 122 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2jwx n TYR 122 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwx n GLY 123 N 0.07 -2.76 0.54 2.72 0.00 0.46 -0.29 105.19 105.93 2jwx n GLY 123 Ca 0.02 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2jwx n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jwx n PRO 124 N -1.74 1.65 0.00 1.61 -0.04 -1.26 -4.36 135.00 130.87 2jwx n PRO 124 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2jwx n PRO 124 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.10 0.00 -0.35 0.54 6.02 -1.12 -5.15 117.38 117.42 2jwx n GLN 125 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2jwx n GLN 125 Cb 0.29 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 30.97 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 3.01 -3.33 3.94 1.08 0.00 0.60 -4.98 105.19 105.50 2jwx n GLY 126 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.35 6.07 0.15 1.61 0.15 -1.15 -4.83 113.70 113.35 2jwx s SER 127 Ca 0.00 0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 2jwx s SER 127 Cb 0.00 -1.81 0.04 0.00 -1.71 0.00 0.00 66.02 62.54 2jwx s SER 127 CO 0.00 -0.52 1.64 0.08 1.20 0.00 0.00 173.24 175.65 2jwx h ARG 128 N 0.53 -0.17 0.00 5.44 0.11 -1.98 -3.33 114.38 114.97 2jwx h ARG 128 Ca -0.48 0.01 -0.15 0.00 0.10 0.00 0.00 59.98 59.46 2jwx h ARG 128 Cb 1.23 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 2jwx h ARG 128 CO 0.59 -0.11 -1.34 0.43 0.10 0.00 0.00 179.97 179.64 2jwx n SER 129 N -5.35 1.91 -4.35 0.08 7.64 -1.26 -4.89 113.62 107.40 2jwx n SER 129 Ca -0.00 0.41 -0.38 0.00 1.01 0.00 0.00 58.87 59.90 2jwx n SER 129 Cb 0.26 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 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 -2.59 2.96 -0.29 1.43 0.05 -1.25 -5.03 135.00 130.28 2jwx s PRO 130 Ca -0.29 -0.96 -0.28 0.00 0.05 0.00 0.00 61.00 59.53 2jwx s PRO 130 Cb 0.07 -3.49 -0.05 0.00 0.05 0.00 0.00 34.50 31.08 2jwx s PRO 130 CO 0.42 -0.54 2.23 -0.47 0.05 0.00 0.00 177.00 178.69 2jwx s TYR 131 N 1.50 1.18 -0.32 0.56 5.04 -1.25 -2.91 117.35 121.15 2jwx s TYR 131 Ca 0.02 0.76 -0.29 0.00 -2.44 0.00 0.00 57.07 55.12 2jwx s TYR 131 Cb -0.18 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.27 2jwx s TYR 131 CO 0.04 -3.68 1.21 0.42 -1.34 0.00 0.00 175.55 172.20 2jwx s ILE 132 N 9.06 4.27 -0.49 3.14 -1.09 -1.26 -4.83 121.20 130.00 2jwx s ILE 132 Ca 0.98 1.43 -0.37 0.00 -2.23 0.00 0.00 60.65 60.47 2jwx s ILE 132 Cb -0.29 -4.29 -0.17 0.00 -1.58 0.00 0.00 42.46 36.14 2jwx s ILE 132 CO 0.33 -0.53 1.92 -2.65 -1.23 0.00 0.00 174.94 172.78 2jwx n PRO 133 N 7.22 0.00 -1.59 2.79 -0.01 -1.26 -4.34 135.00 137.80 2jwx n PRO 133 Ca 0.14 0.00 -0.48 0.00 -0.01 0.00 0.00 63.50 63.14 2jwx n PRO 133 Cb 0.47 -1.30 -0.04 0.00 -0.01 0.00 0.00 33.50 32.62 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2jwx n PRO 134 N 6.62 1.29 -0.97 0.52 -0.04 -1.26 0.09 135.00 141.25 2jwx n PRO 134 Ca 0.49 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2jwx n PRO 134 Cb -0.03 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2jwx n PRO 134 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2jwx n HIS 135 N 1.66 0.00 -1.66 0.54 -0.00 -1.26 -4.93 115.22 109.57 2jwx n HIS 135 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 2jwx n HIS 135 Cb 0.25 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.13 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jwx s ALA 136 N -3.76 2.97 -0.36 1.57 0.00 0.11 -4.15 121.76 118.15 2jwx s ALA 136 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 2jwx s ALA 136 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 23.12 19.12 2jwx s ALA 136 CO 0.00 -2.45 1.28 0.00 0.00 0.00 0.00 175.76 174.59 2jwx s ALA 137 N 7.15 3.27 0.78 0.00 0.00 -1.26 -1.71 121.76 129.99 2jwx s ALA 137 Ca 0.95 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 2jwx s ALA 137 Cb -0.35 -3.82 0.06 0.00 0.00 0.00 0.00 23.12 19.01 2jwx s ALA 137 CO 0.36 -1.97 1.11 -0.51 0.00 0.00 0.00 175.76 174.75 2jwx s LEU 138 N 4.57 2.63 -0.27 0.00 1.43 0.13 -1.01 118.68 126.17 2jwx s LEU 138 Ca 0.55 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.81 2jwx s LEU 138 Cb -0.14 -3.83 0.09 0.00 0.03 0.00 0.00 46.19 42.34 2jwx s LEU 138 CO 0.26 -1.84 0.11 0.00 0.23 0.00 0.00 176.35 175.11 2jwx s LEU 140 N 2.03 2.53 -0.41 0.00 2.34 0.75 -0.30 118.68 125.63 2jwx s LEU 140 Ca 0.07 -0.46 -0.23 0.00 0.06 0.00 0.00 54.13 53.58 2jwx s LEU 140 Cb -0.16 -1.59 0.02 0.00 -0.56 0.00 0.00 46.19 43.90 2jwx s LEU 140 CO -0.29 0.07 0.76 -0.70 -1.06 0.00 0.00 176.35 175.13 2jwx s GLU 141 N 0.93 3.53 0.03 1.48 2.12 -1.09 -0.30 118.70 125.40 2jwx s GLU 141 Ca -0.03 0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.33 2jwx s GLU 141 Cb -0.15 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 2jwx s GLU 141 CO -0.02 -0.99 0.08 0.14 -0.54 0.00 0.00 175.26 173.94 2jwx s VAL 142 N 3.14 4.67 -0.26 3.70 -7.23 0.21 -2.00 120.40 122.62 2jwx s VAL 142 Ca 0.29 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2jwx s VAL 142 Cb -0.13 -3.18 0.07 0.00 0.56 0.00 0.00 36.38 33.71 2jwx s VAL 142 CO 0.20 0.26 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.35 2jwx s THR 143 N -1.27 1.54 -0.25 5.32 2.01 0.11 -1.99 115.64 121.10 2jwx s THR 143 Ca 0.26 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 2jwx s THR 143 Cb -0.12 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.49 2jwx s THR 143 CO 0.17 -0.27 1.04 -0.22 -0.69 0.00 0.00 174.62 174.66 2jwx s LEU 144 N 1.36 4.07 -0.17 4.42 0.20 -1.02 -0.40 118.68 127.14 2jwx s LEU 144 Ca -0.01 1.32 0.04 0.00 0.69 0.00 0.00 54.13 56.17 2jwx s LEU 144 Cb -0.19 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.91 2jwx s LEU 144 CO -0.09 -0.70 -0.11 0.29 -0.29 0.00 0.00 176.35 175.44 2jwx n LYS 145 N 6.41 0.74 -3.77 1.98 4.76 -0.52 -1.22 118.16 126.55 2jwx n LYS 145 Ca 0.12 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.51 2jwx n LYS 145 Cb 0.46 -1.35 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2jwx s THR 146 N -2.35 0.00 -0.10 -0.18 2.01 -1.23 -4.83 115.64 108.96 2jwx s THR 146 Ca -0.20 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2jwx s THR 146 Cb 0.06 -0.43 0.05 0.00 0.01 0.00 0.00 72.50 72.19 2jwx s THR 146 CO 0.44 -0.01 0.22 0.00 -0.69 0.00 0.00 174.62 174.58 2jwx s ALA 147 N 0.13 -0.41 -0.09 7.40 0.00 -1.26 -1.94 121.76 125.60 2jwx s ALA 147 Ca -0.00 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 2jwx s ALA 147 Cb -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.30 2jwx s ALA 147 CO 0.00 -0.48 0.33 0.14 0.00 0.00 0.00 175.76 175.75 2jwx s VAL 148 N 2.03 0.02 0.12 0.00 -7.23 -1.06 -4.68 120.40 109.59 2jwx s VAL 148 Ca -0.01 -0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 2jwx s VAL 148 Cb -0.12 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 36.21 2jwx s VAL 148 CO -0.07 -0.08 1.79 -0.62 -0.31 0.00 0.00 175.10 175.80 2jwx s ASP 149 N -0.29 6.46 0.00 4.85 2.15 -1.26 0.56 116.67 129.13 2jwx s ASP 149 Ca -0.04 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.64 2jwx s ASP 149 Cb -0.03 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2jwx s ASP 149 CO 0.02 -0.98 0.25 -0.11 -0.17 0.00 0.00 175.17 174.17 2jwx n LEU 150 N 5.59 0.29 -4.68 -1.34 -0.00 0.05 -4.81 117.00 112.11 2jwx n LEU 150 Ca 0.17 -0.29 -0.43 0.00 -0.00 0.00 0.00 56.01 55.46 2jwx n LEU 150 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.78 2jwx n LEU 150 CO 0.65 0.07 0.81 -0.70 -0.00 0.00 0.00 177.39 178.23 2jwx s GLU 151 N -0.06 4.38 -0.23 1.96 -6.30 -0.92 -4.89 118.70 112.64 2jwx s GLU 151 Ca 0.00 1.37 0.16 0.00 -2.50 0.00 0.00 54.97 54.00 2jwx s GLU 151 Cb 0.00 -3.57 0.39 0.00 0.00 0.00 0.00 34.13 30.95 2jwx s GLU 151 CO 0.00 -0.40 1.28 -2.39 0.02 0.00 0.00 175.26 173.78 2jwx n HIS 152 N 5.35 -0.43 -2.39 5.30 1.44 -1.26 -5.03 115.22 118.19 2jwx n HIS 152 Ca 0.09 -1.54 -0.38 0.00 -2.01 0.00 0.00 57.72 53.88 2jwx n HIS 152 Cb 0.48 0.62 -0.02 0.00 0.12 0.00 0.00 29.99 31.19 2jwx n HIS 152 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jwx s HIS 153 N -1.21 2.48 0.00 -1.40 5.04 -1.26 -4.84 115.29 114.09 2jwx s HIS 153 Ca 0.17 -0.86 0.00 0.00 -1.54 0.00 0.00 55.06 52.83 2jwx s HIS 153 Cb 0.34 -4.48 0.00 0.00 0.04 0.00 0.00 32.58 28.47 2jwx s HIS 153 CO -0.09 -1.59 0.00 0.72 -2.34 0.00 0.00 174.74 171.44 2jwx n HIS 154 N 10.58 0.00 0.07 3.88 8.25 -1.26 -4.02 115.22 132.72 2jwx n HIS 154 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jwx n HIS 154 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2jwx n HIS 154 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jwx n HIS 155 N 0.00 -1.74 0.00 4.41 -0.00 -1.26 -5.00 115.22 111.64 2jwx n HIS 155 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 2jwx n HIS 155 Cb 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 29.99 30.94 2jwx n HIS 155 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jwx n HIS 156 N -2.90 0.00 -0.21 4.41 -0.00 -1.26 -5.16 115.22 110.10 2jwx n HIS 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jwx n HIS 156 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jwx n HIS 156 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06