#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 0.28 -0.11 3.17 0.00 -1.26 -5.15 107.32 104.26 2jwx s GLY 2 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 2jwx s GLY 2 CO 0.00 -0.71 -0.05 1.20 0.00 0.00 0.00 173.10 173.54 2jwx s GLN 3 N -1.60 3.16 0.21 2.90 -0.21 -1.26 -5.10 119.66 117.75 2jwx s GLN 3 Ca -0.14 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 2jwx s GLN 3 Cb -0.09 -2.75 -0.08 0.00 1.00 0.00 0.00 33.01 31.08 2jwx s GLN 3 CO -0.01 0.50 1.21 -1.25 -2.12 0.00 0.00 175.29 173.62 2jwx s PRO 4 N -0.36 4.48 0.46 2.91 0.04 -1.26 -5.00 135.00 136.27 2jwx s PRO 4 Ca 0.06 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 2jwx s PRO 4 Cb -0.12 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 2jwx s PRO 4 CO 0.02 -0.09 1.40 -2.14 0.04 0.00 0.00 177.00 176.23 2jwx s PRO 5 N -0.44 3.66 0.88 0.56 0.02 -1.26 -5.02 135.00 133.41 2jwx s PRO 5 Ca 0.52 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 63.79 2jwx s PRO 5 Cb -0.34 -2.62 0.18 0.00 0.02 0.00 0.00 34.50 31.75 2jwx s PRO 5 CO 0.38 -0.81 1.21 0.00 -0.33 0.00 0.00 177.00 177.45 2jwx s ALA 6 N -1.23 2.80 -0.22 -1.55 0.00 -1.26 -4.99 121.76 115.31 2jwx s ALA 6 Ca 0.62 -1.49 0.18 0.00 0.00 0.00 0.00 51.96 51.27 2jwx s ALA 6 Cb -0.42 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.34 2jwx s ALA 6 CO 0.54 -2.13 1.30 0.93 0.00 0.00 0.00 175.76 176.39 2jwx h GLU 7 N -1.26 0.00 0.00 0.00 5.08 -2.07 -3.47 114.58 112.86 2jwx h GLU 7 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2jwx h GLU 7 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2jwx h GLU 7 CO 0.36 0.28 0.00 0.39 -1.00 0.00 0.00 179.01 179.04 2jwx n GLU 8 N -3.05 0.00 -2.55 2.33 -0.58 -1.26 -4.71 120.64 110.82 2jwx n GLU 8 Ca -0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 2jwx n GLU 8 Cb 0.69 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.56 2jwx n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jwx n ALA 9 N 0.45 -1.26 -1.00 0.62 0.00 -1.26 -4.43 120.51 113.63 2jwx n ALA 9 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2jwx n ALA 9 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.33 0.00 0.06 0.00 4.07 -1.26 -5.02 120.64 118.15 2jwx n GLU 10 Ca -0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 2jwx n GLU 10 Cb 0.25 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.62 2jwx n GLU 10 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2jwx h GLN 11 N 0.00 -0.24 -5.40 5.31 4.15 -1.95 -3.43 115.11 113.55 2jwx h GLN 11 Ca 0.00 0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.83 2jwx h GLN 11 Cb 0.00 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.63 2jwx h GLN 11 CO 0.00 -0.16 -0.21 -1.25 -1.93 0.00 0.00 178.83 175.28 2jwx s PRO 12 N -2.34 4.16 -0.31 -2.39 0.04 -1.26 -5.04 135.00 127.87 2jwx s PRO 12 Ca -0.04 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.89 2jwx s PRO 12 Cb 0.00 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2jwx s PRO 12 CO 0.11 -0.04 1.54 0.20 0.04 0.00 0.00 177.00 178.84 2jwx s GLY 13 N 1.06 1.13 -0.40 0.56 0.00 -1.26 -4.04 107.32 104.37 2jwx s GLY 13 Ca 0.18 0.19 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 2jwx s GLY 13 CO 0.08 2.92 0.54 0.00 0.00 0.00 0.00 173.10 176.64 2jwx n ALA 14 N 8.77 -3.04 -3.00 3.20 0.00 -1.26 -5.05 120.51 120.14 2jwx n ALA 14 Ca 0.18 1.09 0.00 0.00 0.00 0.00 0.00 53.44 54.72 2jwx n ALA 14 Cb 0.46 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jwx n LEU 15 N -0.28 0.00 0.16 0.00 7.94 -1.26 -5.00 117.00 118.56 2jwx n LEU 15 Ca 0.11 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.02 2jwx n LEU 15 Cb 0.42 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.60 2jwx n LEU 15 CO 0.45 0.00 0.57 0.00 -1.11 0.00 0.00 177.39 177.30 2jwx h ALA 16 N 2.00 1.06 -1.85 1.96 0.00 -1.96 -3.49 119.26 116.97 2jwx h ALA 16 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2jwx h ALA 16 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jwx h ALA 16 CO 0.00 0.66 -0.06 0.54 0.00 0.00 0.00 179.25 180.39 2jwx n ARG 17 N -3.81 -0.33 -2.02 0.00 3.00 -1.26 -4.99 116.66 107.26 2jwx n ARG 17 Ca -0.01 0.21 -0.00 0.00 -0.01 0.00 0.00 57.85 58.04 2jwx n ARG 17 Cb 0.56 -0.40 -0.00 0.00 0.00 0.00 0.00 32.46 32.62 2jwx n ARG 17 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2jwx n GLU 18 N -1.98 0.65 -2.77 5.56 0.28 -1.26 -4.89 120.64 116.23 2jwx n GLU 18 Ca 0.00 -0.03 -0.16 0.00 -0.16 0.00 0.00 57.16 56.81 2jwx n GLU 18 Cb 0.07 0.02 0.02 0.00 1.43 0.00 0.00 31.44 32.98 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 -0.01 -1.38 0.00 -1.84 7.35 0.21 -4.86 117.46 116.94 2jwx n PHE 19 Ca -0.00 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2jwx n PHE 19 Cb 0.00 -3.53 0.00 0.00 0.35 0.00 0.00 39.48 36.30 2jwx n PHE 19 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2jwx n LEU 20 N -2.94 0.00 0.00 -2.13 -0.00 -1.11 -4.18 117.00 106.64 2jwx n LEU 20 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.83 2jwx n LEU 20 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.00 2jwx n LEU 20 CO 0.33 0.00 0.18 0.00 -0.00 0.00 0.00 177.39 177.90 2jwx n ALA 21 N -1.04 -0.47 -0.66 1.47 0.00 -1.26 -4.28 120.51 114.27 2jwx n ALA 21 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2jwx n ALA 21 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.37 0.00 -3.26 0.00 0.00 -1.26 -4.79 120.51 109.82 2jwx n ALA 22 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2jwx n ALA 22 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 0.45 -0.26 0.00 1.75 -1.26 -4.69 119.30 115.29 2jwx s MET 23 Ca 0.00 0.38 -0.20 0.00 -1.25 0.00 0.00 55.69 54.62 2jwx s MET 23 Cb 0.00 -0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.54 2jwx s MET 23 CO 0.00 -0.93 0.61 -1.21 -0.65 0.00 0.00 175.02 172.83 2jwx s GLU 24 N 2.64 4.07 0.00 4.11 0.41 -1.26 -4.96 118.70 123.71 2jwx s GLU 24 Ca 0.11 0.47 -0.04 0.00 -0.41 0.00 0.00 54.97 55.10 2jwx s GLU 24 Cb -0.13 -3.66 -0.20 0.00 -1.78 0.00 0.00 34.13 28.36 2jwx s GLU 24 CO -0.26 -0.43 3.16 -2.30 -0.49 0.00 0.00 175.26 174.94 2jwx n PRO 25 N 5.71 1.71 -2.82 0.39 -0.02 -1.26 -4.89 135.00 133.82 2jwx n PRO 25 Ca -0.01 -0.75 -0.24 0.00 -2.02 0.00 0.00 63.50 60.47 2jwx n PRO 25 Cb 0.49 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.86 3.12 0.11 -0.52 2.02 -1.26 -5.00 118.70 118.02 2jwx s GLU 26 Ca 0.50 -0.27 -0.35 0.00 0.02 0.00 0.00 54.97 54.87 2jwx s GLU 26 Cb 0.24 -2.47 -0.17 0.00 0.10 0.00 0.00 34.13 31.83 2jwx s GLU 26 CO 0.00 -0.34 1.16 -2.30 0.02 0.00 0.00 175.26 173.80 2jwx n PRO 27 N -2.21 0.83 -3.48 0.39 -0.02 -1.26 -4.72 135.00 124.52 2jwx n PRO 27 Ca 0.02 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 2jwx n PRO 27 Cb 0.57 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.03 3.59 0.97 3.55 0.00 -1.26 -4.57 121.76 124.06 2jwx s ALA 28 Ca 0.80 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 2jwx s ALA 28 Cb -0.98 -2.44 0.08 0.00 0.00 0.00 0.00 23.12 19.77 2jwx s ALA 28 CO 0.52 0.17 0.55 -2.30 0.00 0.00 0.00 175.76 174.69 2jwx n PRO 29 N 3.19 -0.54 -2.46 0.00 -0.02 -1.26 -4.97 135.00 128.94 2jwx n PRO 29 Ca -0.11 -0.11 -0.25 0.00 -2.02 0.00 0.00 63.50 61.01 2jwx n PRO 29 Cb 0.52 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 2jwx n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwx n ALA 30 N -3.88 4.89 -0.70 3.55 0.00 -1.26 -4.45 120.51 118.65 2jwx n ALA 30 Ca 0.07 -4.15 -0.16 0.00 0.00 0.00 0.00 53.44 49.20 2jwx n ALA 30 Cb 0.54 -0.56 0.06 0.00 0.00 0.00 0.00 19.45 19.49 2jwx n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 31 N -0.46 1.81 -3.68 0.00 -0.04 -1.26 -4.85 135.00 126.51 2jwx n PRO 31 Ca 0.36 -1.66 -0.38 0.00 -0.04 0.00 0.00 63.50 61.78 2jwx n PRO 31 Cb 0.71 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 32 N -1.90 3.21 -1.54 0.55 0.00 -1.26 -4.92 121.76 115.91 2jwx s ALA 32 Ca 0.32 -2.29 0.13 0.00 0.00 0.00 0.00 51.96 50.13 2jwx s ALA 32 Cb 0.26 -2.53 0.47 0.00 0.00 0.00 0.00 23.12 21.32 2jwx s ALA 32 CO 0.01 -1.69 1.35 -0.35 0.00 0.00 0.00 175.76 175.08 2jwx n PRO 33 N 4.78 2.59 -4.09 0.00 -0.04 -1.26 -4.94 135.00 132.05 2jwx n PRO 33 Ca -0.08 -1.87 -0.34 0.00 -0.04 0.00 0.00 63.50 61.17 2jwx n PRO 33 Cb 0.42 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2jwx n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jwx n GLU 34 N 0.78 -2.41 -0.17 0.54 1.02 -1.26 -4.82 120.64 114.32 2jwx n GLU 34 Ca 0.17 0.29 0.05 0.00 -0.02 0.00 0.00 57.16 57.64 2jwx n GLU 34 Cb 0.56 -4.96 0.13 0.00 -0.02 0.00 0.00 31.44 27.16 2jwx n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jwx n GLU 35 N -4.06 1.78 -1.16 3.49 1.02 -1.26 -5.03 120.64 115.41 2jwx n GLU 35 Ca 0.08 -1.08 0.13 0.00 -0.02 0.00 0.00 57.16 56.26 2jwx n GLU 35 Cb 0.48 -1.29 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 2jwx n GLU 35 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2jwx n TRP 36 N 0.35 -2.63 -3.76 -0.32 7.02 -1.26 -4.94 117.44 111.90 2jwx n TRP 36 Ca 0.10 1.39 -0.21 0.00 -1.02 0.00 0.00 57.50 57.76 2jwx n TRP 36 Cb 0.29 -2.39 -0.17 0.00 -2.42 0.00 0.00 31.31 26.62 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 -6.04 0.52 -0.76 -0.99 2.96 -1.17 -4.90 118.68 108.30 2jwx s LEU 37 Ca 0.00 -0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 2jwx s LEU 37 Cb 0.00 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 2jwx s LEU 37 CO 0.00 -0.20 1.71 -1.81 -1.32 0.00 0.00 176.35 174.73 2jwx s ASP 38 N 1.88 5.58 0.10 3.68 1.01 -1.26 -2.37 116.67 125.30 2jwx s ASP 38 Ca 0.02 -0.30 -0.25 0.00 0.71 0.00 0.00 52.55 52.73 2jwx s ASP 38 Cb -0.12 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 2jwx s ASP 38 CO -0.04 -2.24 1.68 0.40 0.21 0.00 0.00 175.17 175.18 2jwx h ILE 39 N 6.78 0.67 0.00 0.77 2.04 -0.91 -2.61 117.51 124.25 2jwx h ILE 39 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jwx h ILE 39 Cb 1.08 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2jwx h ILE 39 CO 1.26 0.00 -0.78 0.18 0.00 0.00 0.00 178.15 178.81 2jwx n LEU 40 N -5.27 0.77 -0.45 1.44 7.99 -1.26 -4.88 117.00 115.35 2jwx n LEU 40 Ca -0.07 -0.27 -0.06 0.00 -0.01 0.00 0.00 56.01 55.60 2jwx n LEU 40 Cb 0.19 -0.11 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 2jwx n LEU 40 CO 0.30 0.19 -0.06 0.61 -1.51 0.00 0.00 177.39 176.93 2jwx n GLY 41 N 1.50 0.80 0.11 -0.72 0.00 -0.99 -4.88 105.19 101.01 2jwx n GLY 41 Ca 0.05 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.07 -1.85 -3.48 115.58 110.79 2jwx h ASN 42 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.25 2jwx h ASN 42 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 2jwx h ASN 42 CO 0.17 0.44 0.00 0.61 0.07 0.00 0.00 177.43 178.72 2jwx n GLY 43 N 1.32 2.76 0.22 9.14 0.00 -1.26 -4.73 105.19 112.64 2jwx n GLY 43 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -7.79 0.99 4.07 -1.92 -3.41 115.31 107.25 2jwx h LEU 44 Ca 0.00 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.30 2jwx h LEU 44 Cb 0.00 0.00 -0.38 0.00 1.08 0.00 0.00 40.66 41.36 2jwx h LEU 44 CO 0.00 0.19 -0.78 -0.22 -1.08 0.00 0.00 178.44 176.54 2jwx s LEU 45 N -6.58 3.53 0.01 1.67 1.98 -1.24 -1.71 118.68 116.34 2jwx s LEU 45 Ca 0.02 -1.50 0.01 0.00 -2.89 0.00 0.00 54.13 49.76 2jwx s LEU 45 Cb 0.09 -1.50 -0.01 0.00 0.66 0.00 0.00 46.19 45.44 2jwx s LEU 45 CO 0.63 -0.23 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.70 2jwx s ARG 46 N 1.12 0.27 -0.15 1.98 0.52 0.80 -0.14 118.95 123.34 2jwx s ARG 46 Ca -0.05 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2jwx s ARG 46 Cb -0.20 -0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.11 2jwx s ARG 46 CO -0.06 0.04 -0.21 0.21 0.02 0.00 0.00 175.30 175.31 2jwx s LYS 47 N -0.44 2.93 -0.19 3.54 2.36 -1.00 -0.26 119.74 126.68 2jwx s LYS 47 Ca -0.03 -0.82 -0.02 0.00 -2.55 0.00 0.00 55.97 52.56 2jwx s LYS 47 Cb -0.03 -2.43 -0.00 0.00 -1.05 0.00 0.00 37.83 34.32 2jwx s LYS 47 CO -0.00 -0.09 -0.11 0.21 1.55 0.00 0.00 175.35 176.91 2jwx s LYS 48 N 0.99 3.25 -0.53 4.03 2.20 0.27 -3.05 119.74 126.91 2jwx s LYS 48 Ca -0.03 -0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 54.60 2jwx s LYS 48 Cb -0.15 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2jwx s LYS 48 CO -0.06 -0.13 1.50 0.95 -0.36 0.00 0.00 175.35 177.25 2jwx s THR 49 N 1.22 3.72 -0.04 3.43 -4.23 -1.26 -0.86 115.64 117.62 2jwx s THR 49 Ca 0.02 0.62 -0.21 0.00 -1.18 0.00 0.00 61.69 60.94 2jwx s THR 49 Cb -0.14 -4.29 -0.32 0.00 1.34 0.00 0.00 72.50 69.09 2jwx s THR 49 CO -0.05 -1.04 0.91 -0.07 -0.54 0.00 0.00 174.62 173.83 2jwx h LEU 50 N 13.44 0.51 -7.57 4.79 3.38 -1.75 -3.43 115.31 124.68 2jwx h LEU 50 Ca -0.27 -0.95 -0.40 0.00 0.09 0.00 0.00 57.88 56.35 2jwx h LEU 50 Cb 1.11 -0.17 -0.36 0.00 0.09 0.00 0.00 40.66 41.33 2jwx h LEU 50 CO 1.16 1.43 -0.76 -0.69 0.09 0.00 0.00 178.44 179.66 2jwx s VAL 51 N -2.46 0.34 0.03 1.22 1.01 -0.88 -5.02 120.40 114.65 2jwx s VAL 51 Ca -0.13 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2jwx s VAL 51 Cb 0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2jwx s VAL 51 CO 0.84 0.22 0.14 -2.16 0.00 0.00 0.00 175.10 174.14 2jwx s PRO 52 N 1.46 3.22 0.98 2.72 0.04 -1.26 0.23 135.00 142.39 2jwx s PRO 52 Ca -0.03 -0.48 -0.11 0.00 0.04 0.00 0.00 61.00 60.42 2jwx s PRO 52 Cb -0.13 -2.94 0.18 0.00 0.04 0.00 0.00 34.50 31.65 2jwx s PRO 52 CO -0.03 0.62 1.10 0.20 0.04 0.00 0.00 177.00 178.94 2jwx s GLY 53 N -2.16 1.64 0.96 0.56 0.00 -1.26 -4.29 107.32 102.77 2jwx s GLY 53 Ca 0.29 0.30 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 2jwx s GLY 53 CO 0.21 0.81 -0.48 -1.05 0.00 0.00 0.00 173.10 172.59 2jwx n PRO 54 N -4.36 -0.06 -0.17 2.90 -0.02 -1.26 -4.27 135.00 127.76 2jwx n PRO 54 Ca 0.09 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 2jwx n PRO 54 Cb 0.53 -1.21 -0.01 0.00 -0.02 0.00 0.00 33.50 32.79 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 1.46 -0.14 -0.01 0.52 -0.02 -1.26 -2.25 135.00 133.29 2jwx n PRO 55 Ca 0.01 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2jwx n PRO 55 Cb 0.55 -0.96 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 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 -1.15 -0.12 6.22 -1.23 0.00 -1.26 -5.03 105.19 102.61 2jwx n GLY 56 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.18 0.00 -3.67 1.61 7.64 -0.95 -3.72 113.62 112.35 2jwx n SER 57 Ca -0.05 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 2jwx n SER 57 Cb 0.58 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.70 -0.69 6.43 0.01 -1.26 0.66 113.70 114.15 2jwx s SER 58 Ca 0.00 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 2jwx s SER 58 Cb 0.00 1.09 0.18 0.00 0.21 0.00 0.00 66.02 67.49 2jwx s SER 58 CO 0.00 -0.21 0.52 -0.13 0.41 0.00 0.00 173.24 173.82 2jwx s ARG 59 N 1.59 2.72 0.41 12.44 1.81 -1.26 -1.13 118.95 135.53 2jwx s ARG 59 Ca -0.09 -2.75 -0.27 0.00 -1.72 0.00 0.00 55.73 50.90 2jwx s ARG 59 Cb -0.07 -3.76 -0.09 0.00 -0.45 0.00 0.00 34.95 30.57 2jwx s ARG 59 CO -0.16 -1.20 1.41 -1.25 -0.68 0.00 0.00 175.30 173.42 2jwx s PRO 60 N -0.44 3.95 0.13 3.54 0.04 -1.26 -4.84 135.00 136.12 2jwx s PRO 60 Ca 0.20 2.40 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 2jwx s PRO 60 Cb -0.17 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 2jwx s PRO 60 CO -0.06 -0.60 0.45 0.14 0.04 0.00 0.00 177.00 176.97 2jwx s VAL 61 N -1.18 5.03 -0.70 -0.36 -7.23 -1.26 -4.27 120.40 110.43 2jwx s VAL 61 Ca 0.56 0.46 -0.33 0.00 -1.81 0.00 0.00 61.98 60.86 2jwx s VAL 61 Cb -0.43 -3.65 -0.17 0.00 0.56 0.00 0.00 36.38 32.69 2jwx s VAL 61 CO 0.57 0.17 2.47 0.29 -0.31 0.00 0.00 175.10 178.29 2jwx n LYS 62 N 0.56 0.40 0.00 4.82 4.01 -1.26 -0.46 118.16 126.23 2jwx n LYS 62 Ca -0.05 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2jwx n LYS 62 Cb 0.52 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 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 6.56 0.77 3.69 0.72 0.00 0.16 -4.72 105.19 112.39 2jwx n GLY 63 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 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 4.42 -0.22 1.61 -1.52 0.39 -1.91 119.66 122.42 2jwx s GLN 64 Ca 0.00 1.18 -0.29 0.00 -1.95 0.00 0.00 55.36 54.30 2jwx s GLN 64 Cb 0.00 -3.51 -0.03 0.00 -0.22 0.00 0.00 33.01 29.25 2jwx s GLN 64 CO 0.00 -0.18 1.73 0.08 -0.25 0.00 0.00 175.29 176.67 2jwx s VAL 65 N 1.57 3.54 -0.11 1.09 1.01 0.21 -2.39 120.40 125.33 2jwx s VAL 65 Ca 0.44 0.60 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2jwx s VAL 65 Cb -0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jwx s VAL 65 CO 0.19 -0.27 -0.17 0.68 0.00 0.00 0.00 175.10 175.52 2jwx s VAL 66 N 5.74 2.69 -0.32 2.92 -7.23 -1.04 -1.73 120.40 121.43 2jwx s VAL 66 Ca 0.77 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.93 2jwx s VAL 66 Cb -0.26 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 2jwx s VAL 66 CO 0.32 0.54 0.67 0.42 -0.31 0.00 0.00 175.10 176.74 2jwx s THR 67 N 0.21 4.89 0.56 5.32 -4.23 -0.78 -2.39 115.64 119.21 2jwx s THR 67 Ca -0.11 0.86 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 2jwx s THR 67 Cb -0.16 -4.05 0.05 0.00 1.34 0.00 0.00 72.50 69.68 2jwx s THR 67 CO 0.06 -0.21 0.44 0.68 -0.54 0.00 0.00 174.62 175.05 2jwx s VAL 68 N 2.72 1.58 -0.12 2.29 -7.23 0.75 -1.83 120.40 118.56 2jwx s VAL 68 Ca 0.27 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2jwx s VAL 68 Cb -0.15 -2.05 0.04 0.00 0.56 0.00 0.00 36.38 34.78 2jwx s VAL 68 CO 0.13 0.00 -0.01 -2.28 -0.31 0.00 0.00 175.10 172.63 2jwx s HIS 69 N -2.79 0.95 -0.10 2.82 2.46 0.26 0.59 115.29 119.48 2jwx s HIS 69 Ca 0.34 -0.49 0.03 0.00 0.47 0.00 0.00 55.06 55.41 2jwx s HIS 69 Cb -0.03 -0.96 0.00 0.00 -0.13 0.00 0.00 32.58 31.47 2jwx s HIS 69 CO 0.22 -0.45 -0.22 -0.48 -2.47 0.00 0.00 174.74 171.33 2jwx s LEU 70 N 1.88 2.04 -0.31 8.88 2.34 -0.92 -0.13 118.68 132.47 2jwx s LEU 70 Ca 0.03 -0.54 -0.01 0.00 0.06 0.00 0.00 54.13 53.67 2jwx s LEU 70 Cb -0.14 -1.35 0.06 0.00 -0.56 0.00 0.00 46.19 44.20 2jwx s LEU 70 CO -0.07 0.13 0.01 -1.10 -1.06 0.00 0.00 176.35 174.27 2jwx s GLN 71 N 0.48 2.31 -0.22 1.48 1.11 -0.93 -0.65 119.66 123.23 2jwx s GLN 71 Ca -0.16 -1.37 -0.16 0.00 0.01 0.00 0.00 55.36 53.68 2jwx s GLN 71 Cb -0.17 -3.20 -0.04 0.00 -1.01 0.00 0.00 33.01 28.60 2jwx s GLN 71 CO 0.06 -0.68 0.43 0.99 0.01 0.00 0.00 175.29 176.09 2jwx s THR 72 N 1.20 5.16 0.03 -0.19 2.01 0.62 -2.66 115.64 121.82 2jwx s THR 72 Ca -0.03 0.74 0.03 0.00 0.31 0.00 0.00 61.69 62.74 2jwx s THR 72 Cb -0.20 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2jwx s THR 72 CO -0.02 0.20 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.63 2jwx s SER 73 N 1.25 4.85 0.95 3.53 0.01 0.82 0.17 113.70 125.28 2jwx s SER 73 Ca 0.19 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 2jwx s SER 73 Cb -0.15 -1.16 0.16 0.00 0.21 0.00 0.00 66.02 65.08 2jwx s SER 73 CO 0.09 0.24 1.09 -0.76 0.41 0.00 0.00 173.24 174.31 2jwx s LEU 74 N -1.77 1.94 0.59 2.44 1.43 0.22 0.14 118.68 123.67 2jwx s LEU 74 Ca 0.20 1.39 0.29 0.00 -1.03 0.00 0.00 54.13 54.99 2jwx s LEU 74 Cb -0.11 -3.69 1.78 0.00 0.03 0.00 0.00 46.19 44.19 2jwx s LEU 74 CO 0.12 -2.92 2.23 1.05 0.23 0.00 0.00 176.35 177.05 2jwx h GLU 75 N -1.75 0.00 -0.31 1.70 4.11 -1.10 0.31 114.58 117.54 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 0.55 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.72 2jwx n ASN 76 N -3.87 2.11 0.00 3.06 3.02 -1.26 -4.93 115.26 113.38 2jwx n ASN 76 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2jwx n ASN 76 Cb 0.12 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.18 2.80 3.60 7.41 0.00 0.11 -5.02 105.19 115.26 2jwx n GLY 77 Ca 0.15 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.41 3.13 -0.11 2.61 2.01 -1.26 -4.16 115.64 115.45 2jwx s THR 78 Ca 0.00 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 2jwx s THR 78 Cb 0.00 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 2jwx s THR 78 CO 0.00 -0.11 2.12 -0.13 -0.69 0.00 0.00 174.62 175.81 2jwx s ARG 79 N 6.19 3.56 0.01 4.92 0.52 -1.26 0.70 118.95 133.58 2jwx s ARG 79 Ca 0.95 2.28 0.16 0.00 -0.52 0.00 0.00 55.73 58.61 2jwx s ARG 79 Cb -0.30 -4.29 -0.18 0.00 0.52 0.00 0.00 34.95 30.70 2jwx s ARG 79 CO 0.35 -1.62 0.71 1.33 0.02 0.00 0.00 175.30 176.08 2jwx n VAL 80 N 6.82 1.29 -3.77 3.52 0.24 0.13 -4.92 118.33 121.63 2jwx n VAL 80 Ca 0.26 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 2jwx n VAL 80 Cb 0.43 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.82 0.50 -0.25 7.34 -2.07 -1.18 -4.67 119.66 116.51 2jwx s GLN 81 Ca -0.04 0.13 -0.01 0.00 -1.82 0.00 0.00 55.36 53.62 2jwx s GLN 81 Cb 0.08 0.23 0.08 0.00 -1.09 0.00 0.00 33.01 32.31 2jwx s GLN 81 CO 0.82 -0.10 0.03 -2.00 -1.32 0.00 0.00 175.29 172.71 2jwx s GLU 82 N -0.54 1.06 -0.41 9.60 2.12 -1.26 -0.28 118.70 128.98 2jwx s GLU 82 Ca -0.06 -0.92 -0.05 0.00 0.36 0.00 0.00 54.97 54.30 2jwx s GLU 82 Cb -0.04 -2.31 0.10 0.00 0.26 0.00 0.00 34.13 32.14 2jwx s GLU 82 CO 0.02 -0.75 0.23 -2.00 -0.54 0.00 0.00 175.26 172.21 2jwx s GLU 83 N 1.56 2.22 -1.06 4.30 2.56 0.17 -4.99 118.70 123.46 2jwx s GLU 83 Ca 0.02 -1.71 -0.23 0.00 0.00 0.00 0.00 54.97 53.04 2jwx s GLU 83 Cb -0.18 -3.65 -0.02 0.00 2.00 0.00 0.00 34.13 32.28 2jwx s GLU 83 CO -0.13 -1.05 1.81 -1.25 -0.56 0.00 0.00 175.26 174.09 2jwx s PRO 84 N 1.24 2.95 0.00 4.30 0.04 -1.26 -2.16 135.00 140.11 2jwx s PRO 84 Ca 0.06 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.15 2jwx s PRO 84 Cb -0.23 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2jwx s PRO 84 CO -0.02 -3.15 0.00 0.39 0.04 0.00 0.00 177.00 174.26 2jwx n GLU 85 N 8.64 0.00 -4.02 4.56 1.02 -1.13 -5.01 120.64 124.70 2jwx n GLU 85 Ca 0.41 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 57.33 2jwx n GLU 85 Cb 0.47 -0.15 -0.16 0.00 -0.02 0.00 0.00 31.44 31.58 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 1.87 -0.03 -4.62 2.96 0.20 -4.88 118.68 114.18 2jwx s LEU 86 Ca 0.00 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2jwx s LEU 86 Cb 0.00 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2jwx s LEU 86 CO 0.00 -0.07 -0.25 0.54 -1.32 0.00 0.00 176.35 175.25 2jwx s VAL 87 N 1.45 2.09 0.21 1.68 0.11 -1.24 -0.18 120.40 124.52 2jwx s VAL 87 Ca 0.04 -1.09 -0.19 0.00 -2.93 0.00 0.00 61.98 57.81 2jwx s VAL 87 Cb -0.14 -1.73 0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2jwx s VAL 87 CO -0.10 0.58 0.58 0.72 -3.33 0.00 0.00 175.10 173.55 2jwx s PHE 88 N -0.50 -0.17 -0.53 1.54 -0.71 -1.00 -4.96 117.98 111.64 2jwx s PHE 88 Ca 0.07 -0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.50 2jwx s PHE 88 Cb -0.11 0.49 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 2jwx s PHE 88 CO 0.00 -0.99 1.39 0.99 -1.34 0.00 0.00 175.22 175.27 2jwx s THR 89 N -3.87 3.84 0.28 -4.49 2.01 -1.26 -2.49 115.64 109.65 2jwx s THR 89 Ca 0.09 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 2jwx s THR 89 Cb -0.02 -4.41 -0.14 0.00 0.01 0.00 0.00 72.50 67.94 2jwx s THR 89 CO -0.01 -1.08 1.18 -0.11 -0.69 0.00 0.00 174.62 173.91 2jwx n LEU 90 N 9.31 2.51 0.00 4.42 7.94 -1.00 -2.34 117.00 137.84 2jwx n LEU 90 Ca 0.13 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 2jwx n LEU 90 Cb 0.49 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2jwx n LEU 90 CO 0.71 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.65 2jwx n GLY 91 N 1.37 0.30 0.94 -3.96 0.00 -1.20 0.40 105.19 103.04 2jwx n GLY 91 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.32 2.90 -2.74 1.61 2.03 -0.99 -4.90 116.55 114.14 2jwx n ASP 92 Ca 0.00 -1.94 -0.21 0.00 0.52 0.00 0.00 54.79 53.17 2jwx n ASP 92 Cb 0.16 -0.06 0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.17 0.00 -0.17 0.00 1.82 -1.92 -3.44 116.42 111.54 2jwx h ASP 94 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 2jwx h ASP 94 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2jwx h ASP 94 CO 0.53 0.04 0.00 1.33 -1.61 0.00 0.00 179.24 179.53 2jwx n VAL 95 N -3.44 0.00 -2.52 2.25 0.24 -1.26 -4.95 118.33 108.65 2jwx n VAL 95 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 2jwx n VAL 95 Cb 0.16 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.31 3.63 0.52 1.34 -4.36 -1.26 -4.88 121.20 117.50 2jwx s ILE 96 Ca 0.00 1.59 0.27 0.00 -0.26 0.00 0.00 60.65 62.25 2jwx s ILE 96 Cb 0.00 -4.02 0.43 0.00 1.25 0.00 0.00 42.46 40.12 2jwx s ILE 96 CO 0.00 0.36 1.95 -0.61 0.24 0.00 0.00 174.94 176.88 2jwx h GLN 97 N 4.12 0.04 -0.33 0.37 5.75 -1.29 0.20 115.11 123.97 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 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.68 2jwx h GLN 97 CO 0.68 0.02 -0.16 0.00 -2.65 0.00 0.00 178.83 176.73 2jwx h ALA 98 N 1.66 0.10 0.05 3.38 0.00 -0.84 -2.00 119.26 121.59 2jwx h ALA 98 Ca 0.33 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 55.14 2jwx h ALA 98 Cb 1.28 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2jwx h ALA 98 CO -0.02 -0.54 -1.04 1.25 0.00 0.00 0.00 179.25 178.90 2jwx h LEU 99 N -0.11 0.22 -0.78 0.00 5.85 -0.92 -1.95 115.31 117.62 2jwx h LEU 99 Ca 0.17 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2jwx h LEU 99 Cb 0.36 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jwx h LEU 99 CO -0.40 1.12 -0.33 -0.78 -0.34 0.00 0.00 178.44 177.71 2jwx h ASP 100 N 0.06 0.56 0.47 1.25 3.58 -0.90 -2.36 116.42 119.07 2jwx h ASP 100 Ca -0.06 -0.22 -0.28 0.00 0.42 0.00 0.00 57.03 56.88 2jwx h ASP 100 Cb 1.75 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.60 2jwx h ASP 100 CO 0.16 0.86 -1.73 0.18 -2.88 0.00 0.00 179.24 175.82 2jwx n LEU 101 N -4.07 0.79 -0.04 2.28 4.77 -0.78 -3.20 117.00 116.74 2jwx n LEU 101 Ca -0.01 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 2jwx n LEU 101 Cb 0.47 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 2jwx n LEU 101 CO 0.44 0.36 0.39 0.77 -1.33 0.00 0.00 177.39 178.02 2jwx h SER 102 N 0.00 0.88 0.08 -1.43 4.64 -0.91 -2.91 113.55 113.89 2jwx h SER 102 Ca -0.29 -0.51 0.02 0.00 -0.47 0.00 0.00 61.79 60.55 2jwx h SER 102 Cb 1.97 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.77 2jwx h SER 102 CO 0.07 1.29 -0.30 0.58 -0.87 0.00 0.00 176.83 177.60 2jwx h VAL 103 N 0.57 0.35 0.00 0.95 2.07 -1.68 0.31 116.25 118.81 2jwx h VAL 103 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2jwx h VAL 103 Cb 1.23 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2jwx h VAL 103 CO 0.13 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.27 2jwx h PRO 104 N -0.50 0.00 -0.01 1.57 0.13 -1.73 0.22 132.00 131.68 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 -0.20 0.00 -0.43 1.28 -0.23 0.00 0.00 178.00 178.42 2jwx n LEU 105 N -2.32 1.00 -4.83 1.56 4.77 -0.31 -4.61 117.00 112.26 2jwx n LEU 105 Ca -0.00 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 2jwx n LEU 105 Cb 0.12 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2jwx n LEU 105 CO 0.14 0.20 -0.13 0.00 -1.33 0.00 0.00 177.39 176.28 2jwx s MET 106 N -2.69 2.82 0.17 3.23 0.23 0.78 -5.07 119.30 118.77 2jwx s MET 106 Ca 0.18 -1.17 -0.00 0.00 -1.03 0.00 0.00 55.69 53.67 2jwx s MET 106 Cb 0.18 -2.52 -0.04 0.00 -1.53 0.00 0.00 34.83 30.93 2jwx s MET 106 CO 0.61 0.25 0.34 -0.51 -2.03 0.00 0.00 175.02 173.69 2jwx s ASP 107 N -3.91 6.38 0.19 -1.18 1.01 -1.26 -4.63 116.67 113.26 2jwx s ASP 107 Ca 0.37 0.34 -0.31 0.00 0.71 0.00 0.00 52.55 53.65 2jwx s ASP 107 Cb -0.07 -1.98 -0.10 0.00 1.01 0.00 0.00 42.92 41.78 2jwx s ASP 107 CO 0.26 0.01 1.54 -0.69 0.21 0.00 0.00 175.17 176.49 2jwx s VAL 108 N -1.79 2.60 0.00 -1.27 1.01 -0.28 -1.77 120.40 118.90 2jwx s VAL 108 Ca 0.37 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2jwx s VAL 108 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jwx s VAL 108 CO 0.28 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2jwx n GLY 109 N 3.33 0.49 3.90 4.51 0.00 0.57 -4.34 105.19 113.65 2jwx n GLY 109 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.86 3.63 -0.24 1.61 2.12 -0.73 -4.28 118.70 119.95 2jwx s GLU 110 Ca 0.00 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.44 2jwx s GLU 110 Cb 0.00 -2.55 0.06 0.00 0.26 0.00 0.00 34.13 31.90 2jwx s GLU 110 CO 0.00 0.08 -0.09 0.99 -0.54 0.00 0.00 175.26 175.71 2jwx s THR 111 N -2.28 1.81 -0.07 -1.70 2.01 0.14 -2.54 115.64 113.01 2jwx s THR 111 Ca 0.46 -1.35 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2jwx s THR 111 Cb -0.10 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 2jwx s THR 111 CO 0.33 -0.02 -0.20 0.00 -0.69 0.00 0.00 174.62 174.04 2jwx s ALA 112 N 1.28 1.84 -0.30 7.40 0.00 -0.67 -1.90 121.76 129.42 2jwx s ALA 112 Ca -0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 2jwx s ALA 112 Cb -0.19 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2jwx s ALA 112 CO -0.06 0.28 0.41 1.41 0.00 0.00 0.00 175.76 177.80 2jwx s MET 113 N 0.23 3.85 -0.23 0.00 -2.45 -0.04 -0.01 119.30 120.65 2jwx s MET 113 Ca -0.12 -0.06 -0.03 0.00 -1.25 0.00 0.00 55.69 54.23 2jwx s MET 113 Cb -0.15 -3.72 0.01 0.00 1.25 0.00 0.00 34.83 32.22 2jwx s MET 113 CO 0.05 -0.41 -0.06 0.08 1.05 0.00 0.00 175.02 175.74 2jwx s VAL 114 N 2.15 3.11 -0.39 10.11 1.01 0.72 -0.56 120.40 136.55 2jwx s VAL 114 Ca 0.16 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2jwx s VAL 114 Cb -0.16 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2jwx s VAL 114 CO 0.11 0.34 0.66 0.42 0.00 0.00 0.00 175.10 176.63 2jwx s THR 115 N 1.41 4.83 -0.03 3.92 -4.23 0.64 -0.26 115.64 121.92 2jwx s THR 115 Ca 0.04 0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 2jwx s THR 115 Cb -0.15 -4.15 0.03 0.00 1.34 0.00 0.00 72.50 69.57 2jwx s THR 115 CO -0.04 -0.45 0.02 0.00 -0.54 0.00 0.00 174.62 173.61 2jwx s ALA 116 N 2.83 0.22 0.89 3.99 0.00 0.15 -0.14 121.76 129.69 2jwx s ALA 116 Ca 0.25 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 2jwx s ALA 116 Cb -0.14 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2jwx s ALA 116 CO 0.17 -0.19 0.56 -3.47 0.00 0.00 0.00 175.76 172.83 2jwx n ASP 117 N 4.44 -1.42 0.22 0.00 -0.08 -0.69 0.30 116.55 119.31 2jwx n ASP 117 Ca -0.21 0.42 0.07 0.00 -1.51 0.00 0.00 54.79 53.55 2jwx n ASP 117 Cb 0.50 -1.26 0.52 0.00 2.34 0.00 0.00 41.12 43.23 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 -1.26 0.00 0.05 1.67 0.87 -1.43 0.41 113.55 113.86 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 0.24 -0.00 0.07 -0.53 0.00 0.00 176.83 176.98 2jwx h LYS 119 N 0.00 0.00 -0.02 2.24 2.10 -1.86 1.61 116.57 120.64 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 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2jwx h LYS 119 CO 0.03 0.00 -0.37 0.66 -2.00 0.00 0.00 179.45 177.77 2jwx n TYR 120 N -3.19 0.00 0.00 0.07 4.02 0.11 -4.75 117.16 113.43 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 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jwx n TYR 122 N -1.41 0.00 0.24 0.00 4.01 0.30 -4.54 117.16 115.76 2jwx n TYR 122 Ca 0.00 -0.12 -0.16 0.00 -0.16 0.00 0.00 57.90 57.47 2jwx n TYR 122 Cb 0.00 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.66 -2.58 2.72 0.00 0.17 0.24 103.07 102.96 2jwx h GLY 123 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2jwx h GLY 123 CO 0.00 -0.25 0.00 -1.55 0.00 0.00 0.00 176.54 174.74 2jwx n PRO 124 N -5.38 2.67 -0.01 4.80 -0.05 -1.26 -4.57 135.00 131.21 2jwx n PRO 124 Ca -0.11 -2.56 -0.01 0.00 -0.05 0.00 0.00 63.50 60.78 2jwx n PRO 124 Cb 0.28 -1.55 -0.00 0.00 -0.05 0.00 0.00 33.50 32.18 2jwx n PRO 124 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2jwx n GLN 125 N 1.60 0.12 -0.66 0.54 6.02 -1.11 -5.14 117.38 118.74 2jwx n GLN 125 Ca 0.23 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jwx n GLN 125 Cb 0.62 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.86 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 3.44 -3.38 3.96 1.08 0.00 0.82 -4.97 105.19 106.13 2jwx n GLY 126 Ca -0.02 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.83 5.62 0.09 1.61 0.15 -0.51 -4.74 113.70 112.10 2jwx s SER 127 Ca 0.00 0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 2jwx s SER 127 Cb 0.00 -1.28 -0.08 0.00 -1.71 0.00 0.00 66.02 62.95 2jwx s SER 127 CO 0.00 -0.87 1.60 0.08 1.20 0.00 0.00 173.24 175.26 2jwx h ARG 128 N 0.28 0.36 0.00 5.44 0.11 -1.98 -3.38 114.38 115.20 2jwx h ARG 128 Ca -0.45 -0.08 -0.30 0.00 0.10 0.00 0.00 59.98 59.26 2jwx h ARG 128 Cb 1.27 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 2jwx h ARG 128 CO 0.55 0.44 -1.87 0.43 0.10 0.00 0.00 179.97 179.62 2jwx n SER 129 N -4.77 1.93 -4.97 0.08 7.64 -1.26 -4.98 113.62 107.29 2jwx n SER 129 Ca -0.03 0.37 -0.21 0.00 1.01 0.00 0.00 58.87 60.01 2jwx n SER 129 Cb 0.15 -0.83 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 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 3.42 -0.38 1.43 0.05 -1.26 -5.08 135.00 130.64 2jwx s PRO 130 Ca -0.34 -0.77 -0.13 0.00 0.05 0.00 0.00 61.00 59.82 2jwx s PRO 130 Cb 0.10 -2.88 0.01 0.00 0.05 0.00 0.00 34.50 31.78 2jwx s PRO 130 CO 0.48 0.39 0.25 -0.47 0.05 0.00 0.00 177.00 177.70 2jwx s TYR 131 N -2.00 3.23 -0.41 0.56 5.04 -1.26 -1.42 117.35 121.08 2jwx s TYR 131 Ca 0.35 -0.58 -0.29 0.00 -2.44 0.00 0.00 57.07 54.11 2jwx s TYR 131 Cb -0.09 -2.51 0.02 0.00 0.35 0.00 0.00 41.96 39.74 2jwx s TYR 131 CO 0.29 -0.53 1.14 0.42 -1.34 0.00 0.00 175.55 175.53 2jwx s ILE 132 N 1.66 4.28 -0.57 3.14 -1.09 -1.26 -4.85 121.20 122.49 2jwx s ILE 132 Ca 0.05 1.38 -0.31 0.00 -2.23 0.00 0.00 60.65 59.53 2jwx s ILE 132 Cb -0.18 -4.49 -0.16 0.00 -1.58 0.00 0.00 42.46 36.04 2jwx s ILE 132 CO 0.09 -0.79 1.91 -2.65 -1.23 0.00 0.00 174.94 172.27 2jwx n PRO 133 N 7.51 0.00 -1.56 2.79 -0.02 -1.26 -4.32 135.00 138.13 2jwx n PRO 133 Ca 0.12 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 61.11 2jwx n PRO 133 Cb 0.48 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.71 2jwx n PRO 133 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jwx n PRO 134 N 6.37 1.02 -0.78 0.52 -0.04 -1.26 -0.23 135.00 140.60 2jwx n PRO 134 Ca 0.48 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2jwx n PRO 134 Cb -0.01 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.51 0.00 -2.03 0.54 -0.00 -1.26 -4.93 115.22 109.05 2jwx n HIS 135 Ca 0.16 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.91 2jwx n HIS 135 Cb 0.23 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.07 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jwx s ALA 136 N -3.57 3.47 -0.08 1.57 0.00 0.69 -4.23 121.76 119.62 2jwx s ALA 136 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2jwx s ALA 136 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2jwx s ALA 136 CO 0.00 -1.62 1.27 0.00 0.00 0.00 0.00 175.76 175.41 2jwx s ALA 137 N 4.57 3.56 0.56 0.00 0.00 -1.26 -1.46 121.76 127.72 2jwx s ALA 137 Ca 0.74 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 2jwx s ALA 137 Cb -0.30 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.25 2jwx s ALA 137 CO 0.29 -0.92 0.86 -0.51 0.00 0.00 0.00 175.76 175.48 2jwx s LEU 138 N 2.66 3.35 -0.30 0.00 2.01 0.15 -0.49 118.68 126.05 2jwx s LEU 138 Ca 0.58 0.75 -0.03 0.00 0.01 0.00 0.00 54.13 55.43 2jwx s LEU 138 Cb -0.25 -3.61 0.10 0.00 0.01 0.00 0.00 46.19 42.44 2jwx s LEU 138 CO 0.21 -0.93 0.12 0.00 1.01 0.00 0.00 176.35 176.76 2jwx s LEU 140 N 1.95 2.98 -0.41 0.00 2.34 0.63 -0.13 118.68 126.05 2jwx s LEU 140 Ca 0.09 -0.33 -0.23 0.00 0.06 0.00 0.00 54.13 53.72 2jwx s LEU 140 Cb -0.16 -1.75 0.02 0.00 -0.56 0.00 0.00 46.19 43.73 2jwx s LEU 140 CO -0.33 0.02 0.77 -0.70 -1.06 0.00 0.00 176.35 175.04 2jwx s GLU 141 N 1.26 3.56 0.01 1.48 2.12 -1.09 -0.20 118.70 125.85 2jwx s GLU 141 Ca 0.03 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2jwx s GLU 141 Cb -0.14 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 2jwx s GLU 141 CO -0.01 -0.98 0.10 0.14 -0.54 0.00 0.00 175.26 173.97 2jwx s VAL 142 N 3.15 4.79 -0.30 3.70 -7.23 0.98 -2.20 120.40 123.30 2jwx s VAL 142 Ca 0.30 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2jwx s VAL 142 Cb -0.13 -3.22 0.07 0.00 0.56 0.00 0.00 36.38 33.66 2jwx s VAL 142 CO 0.20 0.30 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.38 2jwx s THR 143 N -1.26 2.44 -0.21 5.32 2.01 0.82 -1.66 115.64 123.10 2jwx s THR 143 Ca 0.25 -1.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.20 2jwx s THR 143 Cb -0.12 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 2jwx s THR 143 CO 0.16 -0.26 0.69 -0.22 -0.69 0.00 0.00 174.62 174.31 2jwx s LEU 144 N 1.07 4.12 -0.02 4.42 0.20 -1.05 -0.57 118.68 126.85 2jwx s LEU 144 Ca -0.01 0.89 0.03 0.00 0.69 0.00 0.00 54.13 55.73 2jwx s LEU 144 Cb -0.20 -2.98 -0.05 0.00 -0.43 0.00 0.00 46.19 42.53 2jwx s LEU 144 CO -0.05 -0.36 0.05 2.29 -0.29 0.00 0.00 176.35 177.99 2jwx n LYS 145 N 5.40 1.37 -3.65 1.98 2.85 -0.76 -0.32 118.16 125.03 2jwx n LYS 145 Ca 0.01 -0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 2jwx n LYS 145 Cb 0.49 -1.08 -0.08 0.00 -0.65 0.00 0.00 35.03 33.71 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 -2.18 -0.00 -0.06 0.58 2.01 -1.22 -4.55 115.64 110.22 2jwx s THR 146 Ca -0.01 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2jwx s THR 146 Cb 0.02 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.63 2jwx s THR 146 CO 0.14 0.00 0.12 0.00 -0.69 0.00 0.00 174.62 174.19 2jwx s ALA 147 N 0.78 -0.04 -0.06 7.40 0.00 -1.25 -1.88 121.76 126.71 2jwx s ALA 147 Ca -0.03 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 2jwx s ALA 147 Cb -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.44 2jwx s ALA 147 CO -0.06 -0.44 0.23 0.14 0.00 0.00 0.00 175.76 175.63 2jwx s VAL 148 N 1.96 0.02 -0.15 0.00 -7.23 -0.71 -4.17 120.40 110.13 2jwx s VAL 148 Ca 0.01 -0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 2jwx s VAL 148 Cb -0.12 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.40 2jwx s VAL 148 CO -0.05 -0.10 1.50 -0.62 -0.31 0.00 0.00 175.10 175.52 2jwx s ASP 149 N -0.32 6.67 0.00 4.85 2.15 -1.26 0.63 116.67 129.39 2jwx s ASP 149 Ca -0.04 1.82 0.04 0.00 0.43 0.00 0.00 52.55 54.80 2jwx s ASP 149 Cb -0.03 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.12 2jwx s ASP 149 CO 0.01 -0.98 0.92 -0.11 -0.17 0.00 0.00 175.17 174.84 2jwx n LEU 150 N 7.39 0.11 0.00 -1.34 7.94 -1.14 -4.88 117.00 125.07 2jwx n LEU 150 Ca 0.16 -1.22 0.00 0.00 -1.11 0.00 0.00 56.01 53.84 2jwx n LEU 150 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2jwx n LEU 150 CO 0.61 0.52 0.21 1.21 -1.11 0.00 0.00 177.39 178.83 2jwx n GLU 151 N 0.08 0.00 -2.06 1.96 0.00 -0.80 -4.89 120.64 114.93 2jwx n GLU 151 Ca -0.01 0.27 -0.21 0.00 0.00 0.00 0.00 57.16 57.21 2jwx n GLU 151 Cb 0.73 -1.04 -0.04 0.00 0.00 0.00 0.00 31.44 31.09 2jwx n GLU 151 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jwx n HIS 152 N -1.30 -0.60 -3.18 4.31 -0.00 -1.26 -4.89 115.22 108.30 2jwx n HIS 152 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jwx n HIS 152 Cb 0.00 -3.74 0.00 0.00 -0.12 0.00 0.00 29.99 26.13 2jwx n HIS 152 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwx n HIS 153 N -3.31 -0.13 -3.01 1.57 -0.00 -1.26 -5.12 115.22 103.96 2jwx n HIS 153 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 2jwx n HIS 153 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 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 0.00 0.00 -0.75 1.57 -0.00 -1.26 -4.75 115.22 110.04 2jwx n HIS 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jwx n HIS 154 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 2jwx n HIS 154 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jwx n HIS 155 N 0.61 0.00 1.04 1.57 8.25 -1.26 -4.69 115.22 120.74 2jwx n HIS 155 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2jwx n HIS 155 Cb 0.00 -1.19 0.04 0.00 1.12 0.00 0.00 29.99 29.96 2jwx n HIS 155 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jwx n HIS 156 N -2.08 0.00 -0.57 4.41 -0.00 -1.26 -5.28 115.22 110.44 2jwx n HIS 156 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jwx n HIS 156 Cb 0.11 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2jwx n HIS 156 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52