#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 0.72 1.48 3.03 0.00 -1.26 -4.96 105.19 104.21 2jwx n GLY 2 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jwx n GLY 2 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jwx n GLN 3 N 0.00 0.00 -2.63 1.61 7.27 -1.26 -5.07 117.38 117.30 2jwx n GLN 3 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 2jwx n GLN 3 Cb 0.00 -0.27 -0.04 0.00 2.41 0.00 0.00 30.24 32.34 2jwx n GLN 3 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2jwx s PRO 4 N -2.00 4.62 -0.14 3.69 0.04 -1.26 -5.01 135.00 134.95 2jwx s PRO 4 Ca 0.00 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2jwx s PRO 4 Cb 0.00 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 2jwx s PRO 4 CO 0.00 0.09 1.19 -2.14 0.04 0.00 0.00 177.00 176.18 2jwx s PRO 5 N 0.13 4.29 -0.34 0.56 0.02 -1.26 -4.99 135.00 133.41 2jwx s PRO 5 Ca 0.49 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 2jwx s PRO 5 Cb -0.25 -3.66 -0.00 0.00 0.02 0.00 0.00 34.50 30.60 2jwx s PRO 5 CO 0.31 -0.58 0.21 0.00 -0.33 0.00 0.00 177.00 176.61 2jwx s ALA 6 N 2.94 3.38 -0.56 -1.55 0.00 -1.26 -5.04 121.76 119.67 2jwx s ALA 6 Ca 0.53 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 2jwx s ALA 6 Cb -0.21 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.35 2jwx s ALA 6 CO 0.16 -1.08 1.20 -1.21 0.00 0.00 0.00 175.76 174.83 2jwx s GLU 7 N 1.65 3.53 -0.13 0.00 2.02 -1.26 -4.88 118.70 119.63 2jwx s GLU 7 Ca 0.05 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.37 2jwx s GLU 7 Cb -0.18 -4.01 0.24 0.00 0.10 0.00 0.00 34.13 30.29 2jwx s GLU 7 CO 0.08 -1.66 1.19 -1.91 0.02 0.00 0.00 175.26 172.99 2jwx n GLU 8 N 8.37 1.71 -3.64 1.61 2.13 -1.26 -4.77 120.64 124.79 2jwx n GLU 8 Ca 0.09 -1.04 -0.14 0.00 0.66 0.00 0.00 57.16 56.74 2jwx n GLU 8 Cb 0.49 -1.51 -0.06 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.27 -1.14 0.02 4.31 0.00 -1.26 -4.89 121.76 117.53 2jwx s ALA 9 Ca 0.19 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2jwx s ALA 9 Cb 0.16 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2jwx s ALA 9 CO 0.04 -0.43 0.00 -1.91 0.00 0.00 0.00 175.76 173.46 2jwx n GLU 10 N 0.63 0.00 0.14 0.00 4.07 -1.26 -5.05 120.64 119.18 2jwx n GLU 10 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2jwx n GLU 10 Cb 0.59 -0.08 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2jwx n GLU 10 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2jwx n GLN 11 N -2.69 0.00 -0.92 5.31 7.27 -1.26 -4.97 117.38 120.12 2jwx n GLN 11 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 2jwx n GLN 11 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 2jwx n GLN 11 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2jwx n PRO 12 N -3.30 1.75 -0.89 3.69 -0.04 -1.26 -4.63 135.00 130.32 2jwx n PRO 12 Ca 0.00 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2jwx n PRO 12 Cb 0.00 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 2jwx n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwx n GLY 13 N 1.70 0.19 2.46 0.55 0.00 -1.26 -2.21 105.19 106.62 2jwx n GLY 13 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 2jwx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwx n ALA 14 N 1.00 -0.17 0.05 4.61 0.00 -1.26 -4.92 120.51 119.82 2jwx n ALA 14 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 2jwx n ALA 14 Cb 0.24 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 2jwx n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jwx h LEU 15 N 0.00 -0.14 0.00 0.00 -0.00 -1.86 -3.38 115.31 109.94 2jwx h LEU 15 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 2jwx h LEU 15 Cb 0.86 0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2jwx h LEU 15 CO 0.33 0.06 -1.23 0.00 -0.00 0.00 0.00 178.44 177.60 2jwx n ALA 16 N -2.33 2.55 -0.80 1.53 0.00 -1.26 -5.08 120.51 115.12 2jwx n ALA 16 Ca -0.02 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.14 2jwx n ALA 16 Cb 0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.60 -0.37 -1.71 0.00 3.00 -1.26 -5.01 116.66 108.71 2jwx n ARG 17 Ca -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 2jwx n ARG 17 Cb 0.57 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.57 2jwx n ARG 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2jwx n GLU 18 N -1.81 2.11 -2.94 5.56 -0.58 -1.26 -4.78 120.64 116.93 2jwx n GLU 18 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2jwx n GLU 18 Cb 0.08 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.96 2jwx n GLU 18 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2jwx n PHE 19 N -0.09 -3.31 -1.89 -0.32 3.72 -1.17 -4.93 117.46 109.46 2jwx n PHE 19 Ca 0.00 1.32 -0.22 0.00 -0.05 0.00 0.00 57.45 58.49 2jwx n PHE 19 Cb 0.00 -4.02 0.15 0.00 -0.94 0.00 0.00 39.48 34.67 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 -0.74 0.00 -3.58 4.37 4.77 -1.18 -4.12 117.00 116.51 2jwx n LEU 20 Ca 0.07 -1.26 -0.26 0.00 -0.03 0.00 0.00 56.01 54.53 2jwx n LEU 20 Cb 0.48 -0.75 0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2jwx n LEU 20 CO 0.50 -1.18 0.15 0.00 -1.33 0.00 0.00 177.39 175.53 2jwx n ALA 21 N -3.53 -1.23 -2.39 -1.18 0.00 -1.26 -2.28 120.51 108.65 2jwx n ALA 21 Ca -0.16 0.31 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2jwx n ALA 21 Cb 0.46 -4.78 -0.04 0.00 0.00 0.00 0.00 19.45 15.09 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 -3.26 2.36 -0.19 0.00 0.00 -1.26 -4.42 121.76 114.99 2jwx s ALA 22 Ca 0.55 -2.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2jwx s ALA 22 Cb -0.26 -4.54 -0.07 0.00 0.00 0.00 0.00 23.12 18.26 2jwx s ALA 22 CO 0.68 -4.01 -0.29 -0.12 0.00 0.00 0.00 175.76 172.03 2jwx n MET 23 N 8.88 0.52 -3.99 0.00 1.56 -1.26 -4.91 117.12 117.93 2jwx n MET 23 Ca 0.35 0.30 -0.33 0.00 -0.27 0.00 0.00 57.70 57.75 2jwx n MET 23 Cb 0.50 -1.51 -0.14 0.00 2.15 0.00 0.00 33.22 34.21 2jwx n MET 23 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2jwx s GLU 24 N -2.68 2.32 0.11 2.12 0.41 -1.26 -5.09 118.70 114.63 2jwx s GLU 24 Ca -0.28 -1.32 -0.32 0.00 -0.41 0.00 0.00 54.97 52.65 2jwx s GLU 24 Cb 0.05 -3.03 -0.11 0.00 -1.78 0.00 0.00 34.13 29.26 2jwx s GLU 24 CO 0.40 -0.60 1.81 -2.30 -0.49 0.00 0.00 175.26 174.09 2jwx n PRO 25 N 4.52 2.65 -3.87 0.39 -0.02 -1.26 -4.87 135.00 132.54 2jwx n PRO 25 Ca -0.13 0.96 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 2jwx n PRO 25 Cb 0.43 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 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 2.62 3.47 0.77 -0.52 0.41 -1.26 -5.12 118.70 119.07 2jwx s GLU 26 Ca 0.83 -0.46 -0.11 0.00 -0.41 0.00 0.00 54.97 54.81 2jwx s GLU 26 Cb -0.53 -2.95 0.06 0.00 -1.78 0.00 0.00 34.13 28.93 2jwx s GLU 26 CO 0.39 0.52 1.13 -2.14 -0.49 0.00 0.00 175.26 174.67 2jwx s PRO 27 N -2.99 2.23 0.08 0.39 0.02 -1.26 -4.99 135.00 128.48 2jwx s PRO 27 Ca 0.36 0.15 -0.32 0.00 0.02 0.00 0.00 61.00 61.20 2jwx s PRO 27 Cb -0.12 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 2jwx s PRO 27 CO 0.28 -1.40 1.80 0.00 -0.33 0.00 0.00 177.00 177.36 2jwx n ALA 28 N -3.18 1.70 -0.99 -1.55 0.00 -1.26 -4.85 120.51 110.38 2jwx n ALA 28 Ca 0.08 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 2jwx n ALA 28 Cb 0.60 -2.53 0.13 0.00 0.00 0.00 0.00 19.45 17.65 2jwx n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jwx n PRO 29 N 5.48 0.00 -3.77 0.00 -0.04 -1.26 -5.00 135.00 130.41 2jwx n PRO 29 Ca 0.19 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.40 2jwx n PRO 29 Cb 0.34 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.40 2jwx n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwx s ALA 30 N -2.24 4.04 -0.70 0.55 0.00 -1.26 -4.75 121.76 117.39 2jwx s ALA 30 Ca 0.70 -3.84 -0.38 0.00 0.00 0.00 0.00 51.96 48.43 2jwx s ALA 30 Cb -0.27 -2.50 -0.20 0.00 0.00 0.00 0.00 23.12 20.15 2jwx s ALA 30 CO 0.55 -2.12 2.34 -2.30 0.00 0.00 0.00 175.76 174.22 2jwx n PRO 31 N 2.15 0.00 -4.01 0.00 -0.01 -1.26 -4.91 135.00 126.96 2jwx n PRO 31 Ca 0.21 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.37 2jwx n PRO 31 Cb 0.36 -1.47 -0.06 0.00 -0.01 0.00 0.00 33.50 32.32 2jwx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jwx s ALA 32 N 7.16 3.75 -1.08 3.55 0.00 -1.26 -5.00 121.76 128.88 2jwx s ALA 32 Ca 1.25 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2jwx s ALA 32 Cb -1.37 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 2jwx s ALA 32 CO 0.58 0.73 2.07 -2.30 0.00 0.00 0.00 175.76 176.83 2jwx n PRO 33 N 0.95 2.12 -1.28 0.00 -0.02 -1.26 -4.18 135.00 131.32 2jwx n PRO 33 Ca -0.11 -2.18 -0.10 0.00 -2.02 0.00 0.00 63.50 59.10 2jwx n PRO 33 Cb 0.52 -3.08 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 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 6.56 -1.09 -2.72 -0.52 1.02 -1.26 -4.93 120.64 117.69 2jwx n GLU 34 Ca 0.51 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 58.02 2jwx n GLU 34 Cb 0.39 -4.86 -0.03 0.00 -0.02 0.00 0.00 31.44 26.92 2jwx n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2jwx s GLU 35 N -2.62 3.49 -0.28 3.49 2.02 -1.26 -4.97 118.70 118.57 2jwx s GLU 35 Ca 0.00 -1.21 -0.42 0.00 0.02 0.00 0.00 54.97 53.36 2jwx s GLU 35 Cb 0.00 -4.95 -0.19 0.00 0.10 0.00 0.00 34.13 29.09 2jwx s GLU 35 CO 0.00 -2.01 1.33 0.91 0.02 0.00 0.00 175.26 175.51 2jwx n TRP 36 N 8.00 1.24 -3.22 1.61 7.02 -1.26 -4.87 117.44 125.96 2jwx n TRP 36 Ca 0.22 1.07 -0.39 0.00 -1.02 0.00 0.00 57.50 57.38 2jwx n TRP 36 Cb 0.49 -2.09 -0.07 0.00 -2.42 0.00 0.00 31.31 27.23 2jwx n TRP 36 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2jwx s LEU 37 N 1.68 4.12 -0.74 -0.99 2.96 -0.86 -4.90 118.68 119.96 2jwx s LEU 37 Ca 0.95 0.66 -0.27 0.00 -0.22 0.00 0.00 54.13 55.26 2jwx s LEU 37 Cb -1.35 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 42.64 2jwx s LEU 37 CO 0.69 -0.22 1.27 -0.62 -1.32 0.00 0.00 176.35 176.15 2jwx s ASP 38 N 1.26 6.16 0.18 3.68 -1.08 -1.26 -2.12 116.67 123.49 2jwx s ASP 38 Ca 0.24 -0.47 -0.19 0.00 -0.52 0.00 0.00 52.55 51.61 2jwx s ASP 38 Cb -0.15 -2.56 0.12 0.00 -1.46 0.00 0.00 42.92 38.86 2jwx s ASP 38 CO 0.09 -1.83 1.62 0.40 0.52 0.00 0.00 175.17 175.97 2jwx h ILE 39 N 6.03 0.32 -0.28 4.11 2.04 -0.08 -1.33 117.51 128.33 2jwx h ILE 39 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2jwx h ILE 39 Cb 1.05 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2jwx h ILE 39 CO 1.28 0.00 0.00 0.18 0.00 0.00 0.00 178.15 179.61 2jwx n LEU 40 N -5.41 2.91 -1.88 1.44 4.77 -1.26 -4.89 117.00 112.69 2jwx n LEU 40 Ca 0.03 -1.51 -0.15 0.00 -0.03 0.00 0.00 56.01 54.35 2jwx n LEU 40 Cb 0.32 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2jwx n LEU 40 CO 0.08 0.64 -0.16 0.61 -1.33 0.00 0.00 177.39 177.22 2jwx n GLY 41 N 0.99 0.57 0.11 -0.72 0.00 -0.50 -4.82 105.19 100.82 2jwx n GLY 41 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.22 0.82 0.00 1.61 2.04 -1.26 -4.94 115.26 112.30 2jwx n ASN 42 Ca -0.16 0.29 0.00 0.00 -0.44 0.00 0.00 54.58 54.27 2jwx n ASN 42 Cb 0.56 0.45 0.00 0.00 -2.53 0.00 0.00 39.78 38.26 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 1.20 1.31 0.06 4.83 0.00 -1.26 -4.81 105.19 106.52 2jwx n GLY 43 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2jwx n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jwx n LEU 44 N 0.00 0.00 -4.06 0.99 7.99 -1.26 -4.90 117.00 115.76 2jwx n LEU 44 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 2jwx n LEU 44 Cb 0.00 0.30 -0.15 0.00 -0.11 0.00 0.00 43.42 43.46 2jwx n LEU 44 CO 0.00 0.30 -0.40 -0.22 -1.51 0.00 0.00 177.39 175.57 2jwx s LEU 45 N -5.08 4.04 -0.00 2.23 1.98 -1.24 -1.93 118.68 118.67 2jwx s LEU 45 Ca -0.09 -1.71 0.00 0.00 -2.89 0.00 0.00 54.13 49.44 2jwx s LEU 45 Cb 0.09 -1.60 0.00 0.00 0.66 0.00 0.00 46.19 45.34 2jwx s LEU 45 CO 0.84 -0.28 -0.00 -0.13 -1.89 0.00 0.00 176.35 174.89 2jwx s ARG 46 N 1.03 0.04 -0.08 1.98 0.52 0.87 0.72 118.95 124.03 2jwx s ARG 46 Ca -0.01 0.00 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 2jwx s ARG 46 Cb -0.20 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 2jwx s ARG 46 CO -0.06 -0.01 -0.12 0.21 0.02 0.00 0.00 175.30 175.34 2jwx s LYS 47 N 0.13 2.88 -0.13 3.54 2.20 -0.90 -0.40 119.74 127.05 2jwx s LYS 47 Ca -0.01 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2jwx s LYS 47 Cb -0.02 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.79 2jwx s LYS 47 CO -0.00 0.49 -0.21 0.21 -0.36 0.00 0.00 175.35 175.48 2jwx s LYS 48 N -0.37 2.86 -0.64 4.03 2.20 0.60 -2.02 119.74 126.39 2jwx s LYS 48 Ca 0.04 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.58 2jwx s LYS 48 Cb -0.12 -2.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.91 2jwx s LYS 48 CO 0.02 -0.01 1.27 0.95 -0.36 0.00 0.00 175.35 177.23 2jwx s THR 49 N 0.80 3.85 -0.13 3.43 -4.23 -1.26 -0.91 115.64 117.20 2jwx s THR 49 Ca -0.08 0.66 -0.27 0.00 -1.18 0.00 0.00 61.69 60.82 2jwx s THR 49 Cb -0.16 -4.76 -0.26 0.00 1.34 0.00 0.00 72.50 68.66 2jwx s THR 49 CO -0.01 -1.53 0.74 -0.07 -0.54 0.00 0.00 174.62 173.21 2jwx h LEU 50 N 12.62 0.10 -7.91 4.79 3.38 -1.80 -3.40 115.31 123.09 2jwx h LEU 50 Ca -0.26 -0.94 -0.58 0.00 0.09 0.00 0.00 57.88 56.19 2jwx h LEU 50 Cb 1.06 -0.03 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 2jwx h LEU 50 CO 1.23 1.14 -0.83 -0.69 0.09 0.00 0.00 178.44 179.38 2jwx s VAL 51 N -2.28 1.42 -0.14 1.22 1.01 -0.61 -5.02 120.40 116.00 2jwx s VAL 51 Ca -0.19 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2jwx s VAL 51 Cb -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2jwx s VAL 51 CO 0.71 0.43 0.04 -2.16 0.00 0.00 0.00 175.10 174.12 2jwx s PRO 52 N 1.26 3.53 0.12 2.72 0.04 -1.26 -0.08 135.00 141.33 2jwx s PRO 52 Ca -0.01 -0.36 -0.31 0.00 0.04 0.00 0.00 61.00 60.35 2jwx s PRO 52 Cb -0.14 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2jwx s PRO 52 CO -0.06 0.48 1.76 0.20 0.04 0.00 0.00 177.00 179.42 2jwx s GLY 53 N -0.23 1.40 0.49 0.56 0.00 -1.26 -4.78 107.32 103.50 2jwx s GLY 53 Ca 0.07 1.39 -0.23 0.00 0.00 0.00 0.00 44.72 45.96 2jwx s GLY 53 CO 0.02 3.03 1.12 -1.55 0.00 0.00 0.00 173.10 175.71 2jwx n PRO 54 N 5.42 1.43 -1.42 2.90 -0.04 -1.26 -4.69 135.00 137.34 2jwx n PRO 54 Ca 0.17 0.52 -0.47 0.00 -0.04 0.00 0.00 63.50 63.68 2jwx n PRO 54 Cb 0.39 -2.25 -0.14 0.00 -0.04 0.00 0.00 33.50 31.45 2jwx n PRO 54 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2jwx n PRO 55 N -0.38 0.00 0.00 0.54 -0.02 -1.26 -2.35 135.00 131.53 2jwx n PRO 55 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2jwx n PRO 55 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 6.79 1.76 6.96 -1.23 0.00 -1.26 -4.68 105.19 113.53 2jwx n GLY 56 Ca 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.67 1.61 7.64 -0.99 -3.06 113.62 115.15 2jwx n SER 57 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2jwx n SER 57 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2jwx n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jwx s SER 58 N -4.00 -0.75 -0.46 6.43 0.01 -1.26 -3.08 113.70 110.59 2jwx s SER 58 Ca 0.00 1.24 -0.01 0.00 1.31 0.00 0.00 55.95 58.49 2jwx s SER 58 Cb 0.00 1.12 0.12 0.00 0.21 0.00 0.00 66.02 67.47 2jwx s SER 58 CO 0.00 -0.22 0.24 -0.13 0.41 0.00 0.00 173.24 173.54 2jwx s ARG 59 N 1.45 2.03 0.12 12.44 1.81 -0.96 -0.65 118.95 135.18 2jwx s ARG 59 Ca -0.09 -2.11 -0.30 0.00 -1.72 0.00 0.00 55.73 51.50 2jwx s ARG 59 Cb -0.06 -3.51 -0.07 0.00 -0.45 0.00 0.00 34.95 30.86 2jwx s ARG 59 CO -0.16 -1.08 1.22 -1.25 -0.68 0.00 0.00 175.30 173.36 2jwx s PRO 60 N 0.60 4.45 0.25 3.54 0.04 -1.26 -4.71 135.00 137.91 2jwx s PRO 60 Ca 0.12 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2jwx s PRO 60 Cb -0.22 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 30.95 2jwx s PRO 60 CO -0.04 -0.20 0.59 0.14 0.04 0.00 0.00 177.00 177.52 2jwx s VAL 61 N 0.62 4.88 -0.65 -0.36 -7.23 -1.26 -4.13 120.40 112.27 2jwx s VAL 61 Ca 0.57 0.57 -0.32 0.00 -1.81 0.00 0.00 61.98 60.98 2jwx s VAL 61 Cb -0.31 -3.62 -0.15 0.00 0.56 0.00 0.00 36.38 32.86 2jwx s VAL 61 CO 0.32 -0.10 2.43 0.29 -0.31 0.00 0.00 175.10 177.74 2jwx n LYS 62 N -0.19 0.54 0.00 4.82 4.01 -1.26 -0.82 118.16 125.26 2jwx n LYS 62 Ca 0.01 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2jwx n LYS 62 Cb 0.53 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 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 6.51 0.80 3.78 0.72 0.00 0.15 -4.82 105.19 112.32 2jwx n GLY 63 Ca 0.51 0.00 -0.38 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 4.18 -0.13 1.61 -1.52 0.00 -1.66 119.66 122.14 2jwx s GLN 64 Ca 0.00 0.53 -0.29 0.00 -1.95 0.00 0.00 55.36 53.64 2jwx s GLN 64 Cb 0.00 -3.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.45 2jwx s GLN 64 CO 0.00 0.44 1.33 0.14 -0.25 0.00 0.00 175.29 176.95 2jwx s VAL 65 N -0.33 4.14 -0.14 1.09 -7.23 0.15 -2.37 120.40 115.71 2jwx s VAL 65 Ca 0.26 1.39 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 2jwx s VAL 65 Cb -0.17 -3.90 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 2jwx s VAL 65 CO 0.14 -0.11 -0.15 0.68 -0.31 0.00 0.00 175.10 175.35 2jwx s VAL 66 N 3.43 2.85 -0.44 1.32 -7.23 -1.04 -1.70 120.40 117.59 2jwx s VAL 66 Ca 0.58 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.80 2jwx s VAL 66 Cb -0.24 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2jwx s VAL 66 CO 0.18 0.52 0.76 -0.89 -0.31 0.00 0.00 175.10 175.36 2jwx s THR 67 N 0.51 4.69 -0.16 5.32 2.01 -0.71 -2.34 115.64 124.96 2jwx s THR 67 Ca -0.10 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2jwx s THR 67 Cb -0.16 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.06 2jwx s THR 67 CO 0.04 -0.68 -0.16 0.68 -0.69 0.00 0.00 174.62 173.81 2jwx s VAL 68 N 3.19 2.50 -0.34 3.82 -7.23 0.74 -2.29 120.40 120.78 2jwx s VAL 68 Ca 0.28 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.37 2jwx s VAL 68 Cb -0.13 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2jwx s VAL 68 CO 0.22 0.52 0.94 -2.28 -0.31 0.00 0.00 175.10 174.19 2jwx s HIS 69 N 0.97 3.13 -0.07 2.82 2.46 0.14 0.34 115.29 125.07 2jwx s HIS 69 Ca -0.03 0.91 0.04 0.00 0.47 0.00 0.00 55.06 56.45 2jwx s HIS 69 Cb -0.15 -3.57 -0.00 0.00 -0.13 0.00 0.00 32.58 28.73 2jwx s HIS 69 CO -0.03 -0.75 -0.21 -0.48 -2.47 0.00 0.00 174.74 170.80 2jwx s LEU 70 N 3.42 1.97 -0.28 8.88 2.34 -0.65 -0.06 118.68 134.30 2jwx s LEU 70 Ca 0.39 -0.46 0.01 0.00 0.06 0.00 0.00 54.13 54.13 2jwx s LEU 70 Cb -0.12 -1.21 0.06 0.00 -0.56 0.00 0.00 46.19 44.36 2jwx s LEU 70 CO 0.16 0.15 -0.05 -1.10 -1.06 0.00 0.00 176.35 174.45 2jwx s GLN 71 N 0.23 2.26 -0.21 1.48 1.11 -0.99 -0.44 119.66 123.10 2jwx s GLN 71 Ca -0.12 -1.36 -0.13 0.00 0.01 0.00 0.00 55.36 53.77 2jwx s GLN 71 Cb -0.15 -3.03 -0.05 0.00 -1.01 0.00 0.00 33.01 28.77 2jwx s GLN 71 CO 0.06 -0.62 0.25 0.99 0.01 0.00 0.00 175.29 175.97 2jwx s THR 72 N 1.14 5.31 0.05 -0.19 2.01 0.12 -2.62 115.64 121.46 2jwx s THR 72 Ca -0.06 0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.37 2jwx s THR 72 Cb -0.20 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2jwx s THR 72 CO -0.04 0.34 0.01 -0.44 -0.69 0.00 0.00 174.62 173.80 2jwx s SER 73 N 0.83 5.11 0.98 3.53 0.01 0.39 0.46 113.70 125.01 2jwx s SER 73 Ca 0.12 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 2jwx s SER 73 Cb -0.13 -1.28 0.18 0.00 0.21 0.00 0.00 66.02 64.99 2jwx s SER 73 CO 0.04 0.22 1.09 -0.76 0.41 0.00 0.00 173.24 174.24 2jwx s LEU 74 N -1.97 1.80 0.60 2.44 1.43 0.19 -0.18 118.68 122.99 2jwx s LEU 74 Ca 0.23 1.38 0.31 0.00 -1.03 0.00 0.00 54.13 55.02 2jwx s LEU 74 Cb -0.12 -3.63 1.79 0.00 0.03 0.00 0.00 46.19 44.26 2jwx s LEU 74 CO 0.15 -3.08 2.18 1.05 0.23 0.00 0.00 176.35 176.87 2jwx h GLU 75 N -1.86 0.00 -0.00 1.70 4.11 -1.62 0.52 114.58 117.43 2jwx h GLU 75 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2jwx h GLU 75 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jwx h GLU 75 CO 0.55 0.00 -0.07 0.27 0.07 0.00 0.00 179.01 179.83 2jwx n ASN 76 N -3.72 0.56 0.00 3.06 0.23 -1.26 -4.91 115.26 109.22 2jwx n ASN 76 Ca -0.01 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 2jwx n ASN 76 Cb 0.21 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2jwx n ASN 76 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jwx n GLY 77 N 1.21 0.64 3.58 4.83 0.00 0.18 -5.02 105.19 110.61 2jwx n GLY 77 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.37 4.31 -0.41 2.61 2.01 -1.25 -4.57 115.64 115.96 2jwx s THR 78 Ca 0.00 0.93 -0.27 0.00 0.31 0.00 0.00 61.69 62.66 2jwx s THR 78 Cb 0.00 -4.54 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 2jwx s THR 78 CO 0.00 -0.98 2.24 -0.60 -0.69 0.00 0.00 174.62 174.59 2jwx s ARG 79 N 4.18 2.56 -0.16 4.92 3.00 -1.26 0.57 118.95 132.76 2jwx s ARG 79 Ca 0.42 1.50 -0.11 0.00 -1.00 0.00 0.00 55.73 56.55 2jwx s ARG 79 Cb -0.09 -4.47 -0.23 0.00 0.00 0.00 0.00 34.95 30.17 2jwx s ARG 79 CO 0.28 -2.76 0.24 1.33 0.00 0.00 0.00 175.30 174.40 2jwx n VAL 80 N 7.79 1.68 -4.66 7.11 0.24 0.17 -4.90 118.33 125.77 2jwx n VAL 80 Ca 0.32 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.34 61.94 2jwx n VAL 80 Cb 0.51 -1.81 -0.15 0.00 -1.47 0.00 0.00 33.84 30.92 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 -2.50 1.16 -0.22 7.34 -2.07 -1.13 -4.95 119.66 117.29 2jwx s GLN 81 Ca -0.26 -0.51 -0.02 0.00 -1.82 0.00 0.00 55.36 52.75 2jwx s GLN 81 Cb 0.07 -1.12 0.07 0.00 -1.09 0.00 0.00 33.01 30.94 2jwx s GLN 81 CO 0.69 0.31 0.03 -2.00 -1.32 0.00 0.00 175.29 173.00 2jwx s GLU 82 N -0.34 0.80 -0.35 9.60 2.12 -1.26 0.16 118.70 129.43 2jwx s GLU 82 Ca 0.05 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 2jwx s GLU 82 Cb -0.06 -2.15 0.08 0.00 0.26 0.00 0.00 34.13 32.27 2jwx s GLU 82 CO -0.01 -0.70 0.09 -2.00 -0.54 0.00 0.00 175.26 172.10 2jwx s GLU 83 N 1.75 2.19 -1.14 4.30 2.56 0.42 -4.99 118.70 123.80 2jwx s GLU 83 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 54.97 53.23 2jwx s GLU 83 Cb -0.17 -3.35 0.01 0.00 2.00 0.00 0.00 34.13 32.62 2jwx s GLU 83 CO -0.11 -0.82 1.74 -1.25 -0.56 0.00 0.00 175.26 174.25 2jwx s PRO 84 N 1.19 3.33 0.00 4.30 0.05 -1.26 -1.63 135.00 140.97 2jwx s PRO 84 Ca 0.01 -1.32 0.00 0.00 0.05 0.00 0.00 61.00 59.75 2jwx s PRO 84 Cb -0.21 -5.35 0.00 0.00 0.05 0.00 0.00 34.50 28.99 2jwx s PRO 84 CO -0.03 -2.80 0.00 0.39 0.05 0.00 0.00 177.00 174.61 2jwx n GLU 85 N 8.57 0.00 -3.45 4.56 4.71 -1.25 -4.94 120.64 128.83 2jwx n GLU 85 Ca 0.42 0.13 -0.43 0.00 -0.01 0.00 0.00 57.16 57.28 2jwx n GLU 85 Cb 0.48 -0.29 -0.09 0.00 -1.01 0.00 0.00 31.44 30.52 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 -0.05 5.25 -0.14 -4.62 2.96 0.15 -4.73 118.68 117.50 2jwx s LEU 86 Ca 0.00 -1.08 -0.05 0.00 -0.22 0.00 0.00 54.13 52.79 2jwx s LEU 86 Cb 0.00 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2jwx s LEU 86 CO 0.00 -0.51 0.01 0.54 -1.32 0.00 0.00 176.35 175.07 2jwx s VAL 87 N 1.64 4.38 0.18 1.68 0.11 -1.23 -0.19 120.40 126.98 2jwx s VAL 87 Ca 0.04 -0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 2jwx s VAL 87 Cb -0.21 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 2jwx s VAL 87 CO 0.08 0.52 0.41 0.72 -3.33 0.00 0.00 175.10 173.51 2jwx s PHE 88 N -0.06 0.09 -0.56 1.54 -0.71 -0.99 -4.94 117.98 112.36 2jwx s PHE 88 Ca 0.04 -0.45 -0.28 0.00 -1.04 0.00 0.00 56.93 55.21 2jwx s PHE 88 Cb -0.13 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 2jwx s PHE 88 CO 0.02 -0.82 1.53 0.99 -1.34 0.00 0.00 175.22 175.60 2jwx s THR 89 N -3.91 3.67 0.11 -4.49 2.01 -1.26 -2.50 115.64 109.26 2jwx s THR 89 Ca 0.12 0.54 -0.36 0.00 0.31 0.00 0.00 61.69 62.31 2jwx s THR 89 Cb 0.01 -4.29 -0.16 0.00 0.01 0.00 0.00 72.50 68.07 2jwx s THR 89 CO -0.02 -1.09 1.44 -0.11 -0.69 0.00 0.00 174.62 174.15 2jwx n LEU 90 N 10.26 2.22 0.00 4.42 7.94 -1.00 -2.15 117.00 138.70 2jwx n LEU 90 Ca 0.14 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2jwx n LEU 90 Cb 0.49 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2jwx n LEU 90 CO 0.71 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 2jwx n GLY 91 N 2.89 2.81 0.81 -3.96 0.00 -1.06 0.31 105.19 106.99 2jwx n GLY 91 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 2.16 -3.57 1.61 2.03 -0.91 -4.82 116.55 113.05 2jwx n ASP 92 Ca 0.00 -2.22 -0.26 0.00 0.52 0.00 0.00 54.79 52.83 2jwx n ASP 92 Cb 0.00 -0.48 0.04 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.77 0.35 0.00 0.00 2.03 -1.25 -4.67 116.55 110.24 2jwx n ASP 94 Ca -0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2jwx n ASP 94 Cb 0.56 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2jwx n ASP 94 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2jwx n VAL 95 N -1.85 0.00 -4.72 5.18 0.24 -1.26 -4.86 118.33 111.06 2jwx n VAL 95 Ca 0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.09 2jwx n VAL 95 Cb 0.31 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.79 1.63 0.49 1.34 -0.00 -1.26 -5.02 121.20 120.17 2jwx s ILE 96 Ca 0.00 -1.11 0.28 0.00 -0.00 0.00 0.00 60.65 59.82 2jwx s ILE 96 Cb 0.00 -1.40 0.46 0.00 -0.00 0.00 0.00 42.46 41.52 2jwx s ILE 96 CO 0.00 0.26 1.86 -0.61 -0.00 0.00 0.00 174.94 176.45 2jwx h GLN 97 N 5.07 0.13 -0.34 0.37 5.75 -1.45 0.49 115.11 125.14 2jwx h GLN 97 Ca -0.41 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.15 2jwx h GLN 97 Cb 1.16 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.61 2jwx h GLN 97 CO 0.45 0.09 -0.10 0.00 -2.65 0.00 0.00 178.83 176.62 2jwx h ALA 98 N 1.55 0.20 0.00 3.38 0.00 -0.41 -2.61 119.26 121.38 2jwx h ALA 98 Ca 0.48 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 55.31 2jwx h ALA 98 Cb 1.65 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2jwx h ALA 98 CO -0.08 -0.47 -1.21 1.25 0.00 0.00 0.00 179.25 178.74 2jwx h LEU 99 N -0.02 0.00 -0.78 0.00 5.85 -0.35 -2.23 115.31 117.78 2jwx h LEU 99 Ca 0.16 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 2jwx h LEU 99 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2jwx h LEU 99 CO -0.36 0.82 -0.52 0.44 -0.34 0.00 0.00 178.44 178.49 2jwx h ASP 100 N 0.00 0.26 0.37 1.25 3.32 -1.03 -2.76 116.42 117.83 2jwx h ASP 100 Ca -0.12 -0.13 -0.32 0.00 0.02 0.00 0.00 57.03 56.48 2jwx h ASP 100 Cb 1.74 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 41.17 2jwx h ASP 100 CO 0.09 0.74 -1.81 0.18 -1.72 0.00 0.00 179.24 176.71 2jwx n LEU 101 N -3.94 1.47 -0.08 1.55 4.77 -1.00 -2.56 117.00 117.22 2jwx n LEU 101 Ca -0.02 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 2jwx n LEU 101 Cb 0.56 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2jwx n LEU 101 CO 0.43 0.55 0.48 0.77 -1.33 0.00 0.00 177.39 178.29 2jwx h SER 102 N 0.02 0.82 0.02 -1.43 4.64 -1.22 -2.87 113.55 113.53 2jwx h SER 102 Ca -0.33 -0.53 0.03 0.00 -0.47 0.00 0.00 61.79 60.49 2jwx h SER 102 Cb 2.02 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 2jwx h SER 102 CO 0.08 1.19 -0.25 0.58 -0.87 0.00 0.00 176.83 177.56 2jwx h VAL 103 N 0.48 0.44 0.00 0.95 2.07 -1.74 -0.55 116.25 117.90 2jwx h VAL 103 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2jwx h VAL 103 Cb 1.03 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2jwx h VAL 103 CO 0.10 0.00 -0.03 -0.65 0.02 0.00 0.00 177.57 177.01 2jwx h PRO 104 N -0.40 0.00 0.00 1.57 0.11 -1.71 0.33 132.00 131.91 2jwx h PRO 104 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2jwx h PRO 104 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2jwx h PRO 104 CO -0.21 0.03 -0.08 1.28 -0.21 0.00 0.00 178.00 178.81 2jwx n LEU 105 N -3.55 0.13 -4.88 2.35 4.77 -0.46 -4.68 117.00 110.68 2jwx n LEU 105 Ca -0.03 0.42 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 2jwx n LEU 105 Cb 0.12 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2jwx n LEU 105 CO 0.26 0.01 -0.05 0.00 -1.33 0.00 0.00 177.39 176.28 2jwx s MET 106 N -3.01 2.73 0.14 3.23 0.23 0.12 -5.07 119.30 117.67 2jwx s MET 106 Ca 0.13 -1.31 0.05 0.00 -1.03 0.00 0.00 55.69 53.54 2jwx s MET 106 Cb 0.18 -2.50 -0.04 0.00 -1.53 0.00 0.00 34.83 30.94 2jwx s MET 106 CO 0.56 0.03 0.05 -0.51 -2.03 0.00 0.00 175.02 173.12 2jwx s ASP 107 N -4.05 5.16 0.13 -1.18 1.11 -1.26 -4.64 116.67 111.95 2jwx s ASP 107 Ca 0.43 -0.21 -0.31 0.00 0.18 0.00 0.00 52.55 52.64 2jwx s ASP 107 Cb -0.06 -1.25 -0.10 0.00 1.07 0.00 0.00 42.92 42.58 2jwx s ASP 107 CO 0.27 0.12 1.77 -0.69 1.18 0.00 0.00 175.17 177.82 2jwx s VAL 108 N -1.57 2.51 0.00 -1.27 1.01 0.18 -1.55 120.40 119.71 2jwx s VAL 108 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2jwx s VAL 108 Cb -0.11 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jwx s VAL 108 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2jwx n GLY 109 N 4.12 0.46 3.91 4.51 0.00 -0.22 -4.36 105.19 113.62 2jwx n GLY 109 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.75 3.62 -0.21 1.61 2.12 -0.60 -4.54 118.70 119.95 2jwx s GLU 110 Ca 0.00 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 2jwx s GLU 110 Cb 0.00 -2.54 0.06 0.00 0.26 0.00 0.00 34.13 31.91 2jwx s GLU 110 CO 0.00 0.07 -0.00 0.99 -0.54 0.00 0.00 175.26 175.77 2jwx s THR 111 N -2.32 0.95 -0.03 -1.70 2.01 0.89 -2.66 115.64 112.78 2jwx s THR 111 Ca 0.45 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.67 2jwx s THR 111 Cb -0.10 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2jwx s THR 111 CO 0.34 -0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 173.92 2jwx s ALA 112 N 1.66 1.70 -0.30 7.40 0.00 -0.76 -1.57 121.76 129.89 2jwx s ALA 112 Ca -0.03 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 2jwx s ALA 112 Cb -0.18 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2jwx s ALA 112 CO -0.07 0.36 0.43 1.41 0.00 0.00 0.00 175.76 177.89 2jwx s MET 113 N -0.23 3.87 -0.23 0.00 -2.45 -0.09 -0.26 119.30 119.91 2jwx s MET 113 Ca 0.02 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.42 2jwx s MET 113 Cb -0.10 -3.71 0.02 0.00 1.25 0.00 0.00 34.83 32.28 2jwx s MET 113 CO 0.01 -0.41 -0.07 0.08 1.05 0.00 0.00 175.02 175.68 2jwx s VAL 114 N 2.19 2.91 -0.38 10.11 1.01 0.50 -0.29 120.40 136.45 2jwx s VAL 114 Ca 0.17 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2jwx s VAL 114 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2jwx s VAL 114 CO 0.11 0.30 0.64 0.42 0.00 0.00 0.00 175.10 176.57 2jwx s THR 115 N 1.36 4.86 -0.04 3.92 -4.23 0.46 -0.42 115.64 121.56 2jwx s THR 115 Ca 0.02 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 2jwx s THR 115 Cb -0.16 -4.12 0.03 0.00 1.34 0.00 0.00 72.50 69.60 2jwx s THR 115 CO -0.05 -0.40 0.03 0.00 -0.54 0.00 0.00 174.62 173.66 2jwx s ALA 116 N 2.76 0.28 0.80 3.99 0.00 0.31 -0.09 121.76 129.82 2jwx s ALA 116 Ca 0.24 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 2jwx s ALA 116 Cb -0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2jwx s ALA 116 CO 0.16 -0.32 0.49 -3.47 0.00 0.00 0.00 175.76 172.62 2jwx n ASP 117 N 4.81 -1.48 0.24 0.00 -0.08 -0.81 -0.00 116.55 119.22 2jwx n ASP 117 Ca -0.14 0.50 0.08 0.00 -1.51 0.00 0.00 54.79 53.73 2jwx n ASP 117 Cb 0.50 -1.22 0.60 0.00 2.34 0.00 0.00 41.12 43.34 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 -0.77 0.00 0.01 1.67 0.87 -1.19 0.41 113.55 114.54 2jwx h SER 118 Ca -0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2jwx h SER 118 Cb 1.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2jwx h SER 118 CO 0.40 0.16 -0.00 0.07 -0.53 0.00 0.00 176.83 176.93 2jwx h LYS 119 N 0.00 0.00 -0.08 2.24 2.10 -1.85 1.62 116.57 120.59 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 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2jwx h LYS 119 CO 0.02 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 2jwx n TYR 120 N -3.30 0.08 0.00 0.07 4.02 0.12 -4.74 117.16 113.41 2jwx n TYR 120 Ca -0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2jwx n TYR 120 Cb 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 2jwx n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jwx n TYR 122 N -1.46 0.00 0.00 0.00 4.01 0.38 -4.59 117.16 115.50 2jwx n TYR 122 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 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 -0.04 -2.58 0.80 2.72 0.00 0.46 -0.33 105.19 106.21 2jwx n GLY 123 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.97 2.11 0.00 1.61 -0.04 -1.26 -4.37 135.00 131.08 2jwx n PRO 124 Ca 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2jwx n PRO 124 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.28 0.00 -0.18 0.54 6.02 -1.13 -5.15 117.38 117.76 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 0.44 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.10 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 3.02 -3.05 3.97 1.08 0.00 0.55 -4.99 105.19 105.77 2jwx n GLY 126 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 2jwx n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwx s SER 127 N -2.74 5.51 0.13 1.61 0.15 -0.15 -4.80 113.70 113.42 2jwx s SER 127 Ca 0.00 0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.53 2jwx s SER 127 Cb 0.00 -1.11 -0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2jwx s SER 127 CO 0.00 -0.94 1.73 0.08 1.20 0.00 0.00 173.24 175.31 2jwx h ARG 128 N 0.24 0.12 0.00 5.44 0.11 -2.00 -3.37 114.38 114.93 2jwx h ARG 128 Ca -0.44 -0.01 -0.29 0.00 0.10 0.00 0.00 59.98 59.35 2jwx h ARG 128 Cb 1.28 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 32.29 2jwx h ARG 128 CO 0.54 0.08 -1.92 0.43 0.10 0.00 0.00 179.97 179.20 2jwx n SER 129 N -5.09 1.80 -4.97 0.08 7.64 -1.26 -5.01 113.62 106.81 2jwx n SER 129 Ca -0.02 0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.96 2jwx n SER 129 Cb 0.10 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 -2.58 3.12 -0.40 1.43 0.05 -1.26 -5.07 135.00 130.30 2jwx s PRO 130 Ca -0.32 -0.77 -0.13 0.00 0.05 0.00 0.00 61.00 59.83 2jwx s PRO 130 Cb 0.10 -2.71 0.03 0.00 0.05 0.00 0.00 34.50 31.96 2jwx s PRO 130 CO 0.43 -0.05 0.26 -0.47 0.05 0.00 0.00 177.00 177.22 2jwx s TYR 131 N -2.32 3.24 -0.32 0.56 5.04 -1.26 -0.98 117.35 121.32 2jwx s TYR 131 Ca 0.46 -0.77 -0.29 0.00 -2.44 0.00 0.00 57.07 54.02 2jwx s TYR 131 Cb -0.10 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.67 2jwx s TYR 131 CO 0.34 -0.63 1.32 0.42 -1.34 0.00 0.00 175.55 175.66 2jwx s ILE 132 N 1.62 4.10 -0.54 3.14 -1.09 -1.26 -4.85 121.20 122.33 2jwx s ILE 132 Ca 0.04 1.23 -0.39 0.00 -2.23 0.00 0.00 60.65 59.30 2jwx s ILE 132 Cb -0.19 -4.17 -0.18 0.00 -1.58 0.00 0.00 42.46 36.34 2jwx s ILE 132 CO 0.08 -0.52 2.06 -2.65 -1.23 0.00 0.00 174.94 172.68 2jwx n PRO 133 N 7.44 0.00 -1.58 2.79 -0.02 -1.26 -4.33 135.00 138.03 2jwx n PRO 133 Ca 0.15 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.15 2jwx n PRO 133 Cb 0.47 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.53 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 7.07 1.23 -0.96 0.52 -0.04 -1.26 -0.24 135.00 141.32 2jwx n PRO 134 Ca 0.52 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2jwx n PRO 134 Cb -0.03 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2jwx n PRO 134 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2jwx n HIS 135 N 1.19 0.00 -1.88 0.54 1.44 -1.26 -4.93 115.22 110.32 2jwx n HIS 135 Ca 0.14 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 2jwx n HIS 135 Cb 0.27 -0.29 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 2jwx n HIS 135 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jwx s ALA 136 N -2.65 3.25 -0.34 1.59 0.00 0.66 -4.27 121.76 120.00 2jwx s ALA 136 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 2jwx s ALA 136 Cb 0.00 -3.89 -0.00 0.00 0.00 0.00 0.00 23.12 19.22 2jwx s ALA 136 CO 0.00 -2.02 1.54 0.00 0.00 0.00 0.00 175.76 175.28 2jwx s ALA 137 N 5.65 3.08 0.60 0.00 0.00 -1.26 -0.89 121.76 128.94 2jwx s ALA 137 Ca 0.82 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 2jwx s ALA 137 Cb -0.32 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 18.83 2jwx s ALA 137 CO 0.34 -2.30 1.01 -0.51 0.00 0.00 0.00 175.76 174.30 2jwx s LEU 138 N 5.64 3.32 -0.15 0.00 1.43 1.00 -1.65 118.68 128.26 2jwx s LEU 138 Ca 0.67 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 2jwx s LEU 138 Cb -0.18 -4.45 0.05 0.00 0.03 0.00 0.00 46.19 41.63 2jwx s LEU 138 CO 0.31 -0.81 0.03 0.00 0.23 0.00 0.00 176.35 176.11 2jwx s LEU 140 N 1.93 1.36 -0.45 0.00 2.34 0.44 0.15 118.68 124.45 2jwx s LEU 140 Ca 0.01 -0.36 -0.26 0.00 0.06 0.00 0.00 54.13 53.59 2jwx s LEU 140 Cb -0.15 -0.95 0.03 0.00 -0.56 0.00 0.00 46.19 44.56 2jwx s LEU 140 CO -0.07 -0.09 0.94 -0.70 -1.06 0.00 0.00 176.35 175.37 2jwx s GLU 141 N 1.59 3.58 -0.01 1.48 2.12 -1.08 -0.37 118.70 126.02 2jwx s GLU 141 Ca 0.04 0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 2jwx s GLU 141 Cb -0.13 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 2jwx s GLU 141 CO -0.08 -1.21 0.14 0.14 -0.54 0.00 0.00 175.26 173.71 2jwx s VAL 142 N 3.78 5.13 -0.27 3.70 -7.23 0.64 -2.36 120.40 123.80 2jwx s VAL 142 Ca 0.38 -0.27 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2jwx s VAL 142 Cb -0.10 -3.38 0.07 0.00 0.56 0.00 0.00 36.38 33.53 2jwx s VAL 142 CO 0.26 0.33 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.45 2jwx s THR 143 N -1.27 1.84 -0.35 5.32 2.01 0.92 -1.82 115.64 122.29 2jwx s THR 143 Ca 0.25 -1.58 -0.25 0.00 0.31 0.00 0.00 61.69 60.42 2jwx s THR 143 Cb -0.12 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.28 2jwx s THR 143 CO 0.17 -0.21 0.90 -0.22 -0.69 0.00 0.00 174.62 174.57 2jwx s LEU 144 N 1.22 4.02 -0.05 4.42 0.20 -1.09 -0.68 118.68 126.73 2jwx s LEU 144 Ca -0.03 0.64 0.08 0.00 0.69 0.00 0.00 54.13 55.52 2jwx s LEU 144 Cb -0.19 -3.23 -0.12 0.00 -0.43 0.00 0.00 46.19 42.21 2jwx s LEU 144 CO -0.07 -0.79 0.12 2.29 -0.29 0.00 0.00 176.35 177.61 2jwx n LYS 145 N 6.61 1.41 -3.75 1.98 0.00 -0.97 -1.05 118.16 122.38 2jwx n LYS 145 Ca 0.07 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.20 2jwx n LYS 145 Cb 0.48 -1.22 -0.11 0.00 -0.00 0.00 0.00 35.03 34.18 2jwx n LYS 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jwx s THR 146 N -2.43 -0.00 -0.16 0.58 2.01 -1.24 -4.89 115.64 109.51 2jwx s THR 146 Ca -0.04 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 2jwx s THR 146 Cb 0.04 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.13 2jwx s THR 146 CO 0.37 0.01 0.34 0.00 -0.69 0.00 0.00 174.62 174.64 2jwx s ALA 147 N 0.32 -0.86 0.03 7.40 0.00 -1.24 -1.74 121.76 125.67 2jwx s ALA 147 Ca -0.01 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2jwx s ALA 147 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2jwx s ALA 147 CO -0.01 -0.57 0.31 0.14 0.00 0.00 0.00 175.76 175.63 2jwx s VAL 148 N 2.19 0.07 0.02 0.00 -7.23 -0.69 -4.45 120.40 110.32 2jwx s VAL 148 Ca -0.03 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 2jwx s VAL 148 Cb -0.11 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2jwx s VAL 148 CO -0.11 -0.34 1.17 1.51 -0.31 0.00 0.00 175.10 177.02 2jwx s ASP 149 N -1.87 7.11 0.00 4.85 -4.77 -1.26 0.31 116.67 121.04 2jwx s ASP 149 Ca -0.07 1.92 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 2jwx s ASP 149 Cb -0.02 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2jwx s ASP 149 CO -0.01 -0.47 0.06 -0.11 0.70 0.00 0.00 175.17 175.34 2jwx n LEU 150 N 4.24 0.00 -4.59 2.11 7.94 -1.18 -4.87 117.00 120.65 2jwx n LEU 150 Ca 0.09 -0.05 -0.41 0.00 -1.11 0.00 0.00 56.01 54.53 2jwx n LEU 150 Cb 0.47 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 2jwx n LEU 150 CO 0.55 0.13 1.76 -0.70 -1.11 0.00 0.00 177.39 178.02 2jwx s GLU 151 N 0.00 2.96 -0.03 1.96 2.12 -0.67 -4.94 118.70 120.10 2jwx s GLU 151 Ca 0.00 1.60 -0.06 0.00 0.36 0.00 0.00 54.97 56.87 2jwx s GLU 151 Cb 0.00 -4.36 0.01 0.00 0.26 0.00 0.00 34.13 30.04 2jwx s GLU 151 CO 0.00 -2.30 0.15 -1.01 -0.54 0.00 0.00 175.26 171.55 2jwx s HIS 152 N 8.66 -0.08 -1.39 5.30 3.76 -1.26 -5.03 115.29 125.25 2jwx s HIS 152 Ca 0.91 0.18 0.19 0.00 -0.15 0.00 0.00 55.06 56.19 2jwx s HIS 152 Cb -0.25 0.01 0.96 0.00 1.11 0.00 0.00 32.58 34.41 2jwx s HIS 152 CO 0.32 -0.17 1.60 -2.39 -0.85 0.00 0.00 174.74 173.25 2jwx n HIS 153 N 2.35 0.00 -3.70 1.40 1.44 -1.26 -4.73 115.22 110.72 2jwx n HIS 153 Ca -0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.41 2jwx n HIS 153 Cb 0.57 -0.31 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 2jwx n HIS 153 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jwx s HIS 154 N -2.61 -0.24 -0.04 -1.40 3.76 -1.26 -5.06 115.29 108.45 2jwx s HIS 154 Ca 0.17 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.41 2jwx s HIS 154 Cb 0.13 0.17 0.08 0.00 1.11 0.00 0.00 32.58 34.06 2jwx s HIS 154 CO 0.30 -0.49 0.93 1.58 -0.85 0.00 0.00 174.74 176.21 2jwx n HIS 155 N 0.85 0.00 0.05 1.40 -0.00 -1.26 -4.87 115.22 111.39 2jwx n HIS 155 Ca -0.20 -0.42 0.00 0.00 0.46 0.00 0.00 57.72 57.56 2jwx n HIS 155 Cb 0.58 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2jwx n HIS 155 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jwx n HIS 156 N -0.54 -0.56 -0.35 1.57 -0.00 -1.26 -5.24 115.22 108.84 2jwx n HIS 156 Ca 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2jwx n HIS 156 Cb 0.50 0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.72 2jwx n HIS 156 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92