#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 n ALA 3 N 0.00 0.91 -2.78 0.00 0.00 -1.26 -4.95 120.51 112.43 1sx4 n ALA 3 Ca 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 1sx4 n ALA 3 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 1sx4 n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sx4 s LYS 4 N -2.01 2.78 -0.31 0.00 -0.14 -1.26 -3.12 119.74 115.68 1sx4 s LYS 4 Ca 0.60 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.10 1sx4 s LYS 4 Cb -0.56 -2.48 0.07 0.00 -1.68 0.00 0.00 37.83 33.19 1sx4 s LYS 4 CO 0.59 0.40 -0.01 0.34 -0.76 0.00 0.00 175.35 175.91 1sx4 s ASP 5 N -3.75 4.73 -0.07 2.83 -1.08 0.31 -4.73 116.67 114.91 1sx4 s ASP 5 Ca 0.32 -1.66 -0.08 0.00 -0.52 0.00 0.00 52.55 50.61 1sx4 s ASP 5 Cb -0.08 -1.64 -0.04 0.00 -1.46 0.00 0.00 42.92 39.70 1sx4 s ASP 5 CO 0.24 -0.30 0.21 0.68 0.52 0.00 0.00 175.17 176.52 1sx4 s VAL 6 N 1.08 5.39 -0.01 1.11 -7.23 -1.26 -3.17 120.40 116.31 1sx4 s VAL 6 Ca -0.00 0.27 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1sx4 s VAL 6 Cb -0.20 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 1sx4 s VAL 6 CO -0.05 0.54 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.63 1sx4 s LYS 7 N -1.25 0.89 0.37 4.82 1.02 0.18 -4.97 119.74 120.80 1sx4 s LYS 7 Ca 0.20 -0.41 0.09 0.00 0.02 0.00 0.00 55.97 55.86 1sx4 s LYS 7 Cb -0.13 -0.86 -0.07 0.00 -0.52 0.00 0.00 37.83 36.25 1sx4 s LYS 7 CO 0.09 0.23 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.65 1sx4 s PHE 8 N -0.29 2.46 0.00 3.18 0.40 -1.26 -0.47 117.98 122.00 1sx4 s PHE 8 Ca 0.04 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1sx4 s PHE 8 Cb -0.04 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1sx4 s PHE 8 CO -0.00 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1sx4 n GLY 9 N -0.88 0.00 0.31 4.36 0.00 0.19 -2.04 105.19 107.13 1sx4 n GLY 9 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1sx4 n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1sx4 h ASN 10 N 0.00 1.02 -0.52 1.61 -1.24 -1.94 0.77 115.58 115.28 1sx4 h ASN 10 Ca 0.00 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 56.80 1sx4 h ASN 10 Cb 0.00 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 38.72 1sx4 h ASN 10 CO 0.00 1.02 -0.31 0.47 -1.29 0.00 0.00 177.43 177.32 1sx4 n ASP 11 N -4.26 -0.55 -0.32 1.15 9.92 -1.24 -0.32 116.55 120.93 1sx4 n ASP 11 Ca 0.04 1.35 -0.02 0.00 -0.53 0.00 0.00 54.79 55.63 1sx4 n ASP 11 Cb 0.28 -0.33 0.14 0.00 -0.64 0.00 0.00 41.12 40.57 1sx4 n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sx4 h ALA 12 N -0.16 1.30 -0.13 2.24 0.00 -0.35 -3.11 119.26 119.06 1sx4 h ALA 12 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 12 Cb 0.21 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sx4 h ALA 12 CO -0.49 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.38 1sx4 h ARG 13 N 1.23 0.22 -0.68 0.00 3.08 -0.63 -0.40 114.38 117.20 1sx4 h ARG 13 Ca 0.33 -0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.42 1sx4 h ARG 13 Cb -0.09 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 29.82 1sx4 h ARG 13 CO -0.06 0.45 -0.36 0.28 -1.07 0.00 0.00 179.97 179.21 1sx4 h VAL 14 N -0.04 0.13 -0.31 2.04 2.07 -0.65 0.27 116.25 119.76 1sx4 h VAL 14 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1sx4 h VAL 14 Cb 0.35 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 14 CO 0.01 0.00 0.20 0.11 0.02 0.00 0.00 177.57 177.91 1sx4 h LYS 15 N -0.13 0.40 -0.88 1.57 1.79 -1.41 0.86 116.57 118.76 1sx4 h LYS 15 Ca 0.25 -0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.93 1sx4 h LYS 15 Cb 0.56 -0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 30.98 1sx4 h LYS 15 CO -0.75 0.26 0.26 1.98 -1.08 0.00 0.00 179.45 180.13 1sx4 h MET 16 N 0.41 0.22 -0.12 3.15 4.05 0.90 -1.23 114.93 122.32 1sx4 h MET 16 Ca 0.12 -0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.30 1sx4 h MET 16 Cb -0.03 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1sx4 h MET 16 CO -0.04 0.15 -0.82 1.25 0.23 0.00 0.00 176.91 177.68 1sx4 h LEU 17 N 0.23 0.88 -1.00 3.39 5.85 0.18 -2.02 115.31 122.83 1sx4 h LEU 17 Ca 0.56 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.81 1sx4 h LEU 17 Cb 1.12 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1sx4 h LEU 17 CO -0.64 1.40 0.62 0.03 -0.34 0.00 0.00 178.44 179.51 1sx4 h ARG 18 N 0.48 0.91 0.74 1.25 3.08 -0.22 0.66 114.38 121.29 1sx4 h ARG 18 Ca -0.06 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1sx4 h ARG 18 Cb 1.45 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.30 1sx4 h ARG 18 CO 0.16 0.60 -0.36 0.78 -1.07 0.00 0.00 179.97 180.09 1sx4 h GLY 19 N 0.94 -1.04 -0.93 0.04 0.00 -0.85 -0.86 103.07 100.37 1sx4 h GLY 19 Ca 0.51 0.39 0.14 0.00 0.00 0.00 0.00 47.33 48.37 1sx4 h GLY 19 CO -0.29 -0.38 -0.40 -2.08 0.00 0.00 0.00 176.54 173.40 1sx4 h VAL 20 N -1.02 0.02 -0.24 4.60 2.07 -1.09 -2.52 116.25 118.08 1sx4 h VAL 20 Ca -0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1sx4 h VAL 20 Cb 0.76 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1sx4 h VAL 20 CO 0.17 0.00 -0.24 0.78 0.02 0.00 0.00 177.57 178.29 1sx4 h ASN 21 N -0.02 -0.78 -0.20 0.57 -0.26 0.49 0.68 115.58 116.05 1sx4 h ASN 21 Ca 0.32 0.14 0.06 0.00 -0.56 0.00 0.00 56.30 56.26 1sx4 h ASN 21 Cb 0.58 0.37 -0.07 0.00 -1.06 0.00 0.00 38.32 38.14 1sx4 h ASN 21 CO -0.95 -0.28 -0.24 0.58 -1.06 0.00 0.00 177.43 175.48 1sx4 h VAL 22 N -0.25 0.40 0.60 2.81 2.07 -1.01 0.32 116.25 121.19 1sx4 h VAL 22 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1sx4 h VAL 22 Cb 0.46 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1sx4 h VAL 22 CO -0.38 0.00 -0.29 0.25 0.02 0.00 0.00 177.57 177.17 1sx4 h LEU 23 N -0.27 -0.68 -1.11 2.57 7.12 -1.05 -2.64 115.31 119.25 1sx4 h LEU 23 Ca 0.12 0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.25 1sx4 h LEU 23 Cb 0.46 0.18 -0.07 0.00 -0.53 0.00 0.00 40.66 40.69 1sx4 h LEU 23 CO -0.36 -0.47 0.61 0.00 -0.13 0.00 0.00 178.44 178.09 1sx4 h ALA 24 N -0.42 1.57 -0.21 1.25 0.00 0.79 -0.28 119.26 121.95 1sx4 h ALA 24 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1sx4 h ALA 24 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sx4 h ALA 24 CO 0.13 0.23 -0.39 -0.44 0.00 0.00 0.00 179.25 178.79 1sx4 h ASP 25 N 0.96 0.51 0.32 0.00 3.32 -0.21 -0.75 116.42 120.58 1sx4 h ASP 25 Ca 0.45 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1sx4 h ASP 25 Cb 0.41 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1sx4 h ASP 25 CO -0.20 0.84 -0.11 0.00 -1.72 0.00 0.00 179.24 178.05 1sx4 h ALA 26 N 1.18 1.33 0.05 3.45 0.00 -0.72 -3.20 119.26 121.34 1sx4 h ALA 26 Ca 0.04 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1sx4 h ALA 26 Cb 0.86 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1sx4 h ALA 26 CO 0.07 0.13 -1.89 0.28 0.00 0.00 0.00 179.25 177.85 1sx4 n VAL 27 N -3.69 1.65 -0.27 0.00 0.31 -0.41 -4.11 118.33 111.80 1sx4 n VAL 27 Ca -0.02 -0.74 0.07 0.00 -0.01 0.00 0.00 64.34 63.64 1sx4 n VAL 27 Cb 0.22 -1.27 0.29 0.00 -0.91 0.00 0.00 33.84 32.18 1sx4 n VAL 27 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sx4 h LYS 28 N 0.03 0.87 0.00 5.55 1.57 -1.22 -2.86 116.57 120.50 1sx4 h LYS 28 Ca -0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1sx4 h LYS 28 Cb 2.03 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.15 1sx4 h LYS 28 CO 0.07 0.57 0.04 -0.39 -0.57 0.00 0.00 179.45 179.18 1sx4 h VAL 29 N 0.89 0.00 -0.40 0.50 -1.51 -1.70 0.10 116.25 114.13 1sx4 h VAL 29 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1sx4 h VAL 29 Cb 0.35 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1sx4 h VAL 29 CO -0.16 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.53 1sx4 n THR 30 N -2.45 0.53 -3.27 7.19 -2.24 -1.08 -2.05 114.28 110.91 1sx4 n THR 30 Ca -0.02 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.82 1sx4 n THR 30 Cb 0.08 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1sx4 n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sx4 s LEU 31 N -1.07 4.41 0.00 3.22 2.96 0.35 -4.46 118.68 124.09 1sx4 s LEU 31 Ca 0.29 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1sx4 s LEU 31 Cb 0.15 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1sx4 s LEU 31 CO 0.21 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.97 1sx4 n GLY 32 N 2.45 -1.04 0.26 7.98 0.00 -1.26 -3.65 105.19 109.94 1sx4 n GLY 32 Ca -0.08 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1sx4 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sx4 h PRO 33 N 0.00 0.54 -1.22 1.61 0.13 -1.92 0.21 132.00 131.35 1sx4 h PRO 33 Ca 0.00 -0.14 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 1sx4 h PRO 33 Cb 0.00 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.01 1sx4 h PRO 33 CO 0.00 0.62 0.14 1.63 -0.23 0.00 0.00 178.00 180.16 1sx4 n LYS 34 N -4.22 1.27 -1.38 0.86 5.02 -1.26 -4.92 118.16 113.52 1sx4 n LYS 34 Ca 0.01 -0.60 -0.31 0.00 -2.02 0.00 0.00 58.31 55.39 1sx4 n LYS 34 Cb 0.30 -1.24 0.08 0.00 -0.02 0.00 0.00 35.03 34.15 1sx4 n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sx4 s GLY 35 N 0.75 1.68 0.38 0.72 0.00 0.75 -4.61 107.32 106.98 1sx4 s GLY 35 Ca 0.12 0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.11 1sx4 s GLY 35 CO 0.01 0.54 0.02 0.50 0.00 0.00 0.00 173.10 174.17 1sx4 s ARG 36 N -4.93 1.85 0.39 2.90 0.52 -0.87 -4.92 118.95 113.88 1sx4 s ARG 36 Ca 0.60 -2.03 0.08 0.00 -0.52 0.00 0.00 55.73 53.86 1sx4 s ARG 36 Cb -0.16 -1.39 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1sx4 s ARG 36 CO 0.55 -0.08 0.54 -0.80 0.02 0.00 0.00 175.30 175.53 1sx4 s ASN 37 N -3.63 5.76 0.11 0.23 0.01 -1.26 -3.96 114.94 112.19 1sx4 s ASN 37 Ca 0.35 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 1sx4 s ASN 37 Cb 0.09 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 1sx4 s ASN 37 CO 0.17 -0.66 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.27 1sx4 s VAL 38 N -2.29 1.32 -0.18 1.60 1.01 0.18 -4.96 120.40 117.09 1sx4 s VAL 38 Ca 0.52 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1sx4 s VAL 38 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1sx4 s VAL 38 CO 0.32 -0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.29 1sx4 s VAL 39 N -1.88 3.14 -0.16 2.92 1.01 -1.26 -1.89 120.40 122.28 1sx4 s VAL 39 Ca 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1sx4 s VAL 39 Cb -0.06 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1sx4 s VAL 39 CO 0.03 0.48 -0.11 -0.76 0.00 0.00 0.00 175.10 174.74 1sx4 s LEU 40 N 0.96 2.70 1.05 3.92 1.43 -0.44 -4.97 118.68 123.33 1sx4 s LEU 40 Ca -0.01 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1sx4 s LEU 40 Cb -0.15 -1.63 0.22 0.00 0.03 0.00 0.00 46.19 44.66 1sx4 s LEU 40 CO -0.01 0.09 1.21 -0.62 0.23 0.00 0.00 176.35 177.25 1sx4 s ASP 41 N 0.80 2.31 -0.30 2.29 -1.08 -1.26 -2.23 116.67 117.20 1sx4 s ASP 41 Ca -0.04 0.52 -0.08 0.00 -0.52 0.00 0.00 52.55 52.43 1sx4 s ASP 41 Cb -0.15 -0.73 0.17 0.00 -1.46 0.00 0.00 42.92 40.75 1sx4 s ASP 41 CO 0.01 -3.25 0.77 -0.54 0.52 0.00 0.00 175.17 172.67 1sx4 s LYS 42 N -5.60 0.45 0.40 4.34 1.02 -1.26 -4.81 119.74 114.27 1sx4 s LYS 42 Ca 0.71 0.92 0.08 0.00 0.02 0.00 0.00 55.97 57.71 1sx4 s LYS 42 Cb -0.08 0.53 0.86 0.00 -0.52 0.00 0.00 37.83 38.62 1sx4 s LYS 42 CO 0.54 -0.36 2.01 0.66 -0.92 0.00 0.00 175.35 177.28 1sx4 h SER 43 N 7.92 0.51 0.00 2.83 4.64 -1.98 -3.29 113.55 124.18 1sx4 h SER 43 Ca -0.19 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1sx4 h SER 43 Cb 1.14 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sx4 h SER 43 CO 0.12 0.35 0.00 0.49 -0.87 0.00 0.00 176.83 176.92 1sx4 n PHE 44 N -4.47 0.00 0.00 4.77 3.72 -1.26 -5.03 117.46 115.19 1sx4 n PHE 44 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1sx4 n PHE 44 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1sx4 n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sx4 n GLY 45 N 0.00 5.55 3.70 1.37 0.00 -1.24 -5.13 105.19 109.44 1sx4 n GLY 45 Ca 0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 n ALA 46 N -3.00 1.12 -0.30 4.61 0.00 -1.26 -4.60 120.51 117.07 1sx4 n ALA 46 Ca 0.00 0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 1sx4 n ALA 46 Cb 0.00 -2.28 0.26 0.00 0.00 0.00 0.00 19.45 17.43 1sx4 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sx4 n PRO 47 N -1.07 -4.23 -4.37 0.00 -0.02 -1.26 -4.76 135.00 119.28 1sx4 n PRO 47 Ca 0.12 -1.26 -0.25 0.00 -2.02 0.00 0.00 63.50 60.09 1sx4 n PRO 47 Cb 0.45 -1.81 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 1sx4 n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sx4 s THR 48 N -2.11 1.09 -0.24 3.45 2.01 -0.95 -4.95 115.64 113.95 1sx4 s THR 48 Ca 0.59 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 1sx4 s THR 48 Cb -0.11 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1sx4 s THR 48 CO 0.50 0.36 0.14 -0.63 -0.69 0.00 0.00 174.62 174.30 1sx4 s ILE 49 N 0.98 5.18 0.07 1.82 1.01 -1.26 -1.33 121.20 127.66 1sx4 s ILE 49 Ca -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1sx4 s ILE 49 Cb -0.15 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1sx4 s ILE 49 CO -0.00 0.35 0.02 0.28 0.00 0.00 0.00 174.94 175.59 1sx4 s THR 50 N 1.12 0.19 -0.61 2.92 -1.32 -0.79 -4.47 115.64 112.67 1sx4 s THR 50 Ca 0.07 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 58.89 1sx4 s THR 50 Cb -0.14 -1.57 0.19 0.00 -1.51 0.00 0.00 72.50 69.47 1sx4 s THR 50 CO 0.05 -0.87 1.13 1.17 -2.21 0.00 0.00 174.62 173.89 1sx4 n LYS 51 N 0.05 2.72 -3.59 7.08 4.81 -1.26 -0.65 118.16 127.33 1sx4 n LYS 51 Ca -0.13 -1.79 -0.41 0.00 -0.87 0.00 0.00 58.31 55.11 1sx4 n LYS 51 Cb 0.62 -1.17 -0.11 0.00 0.02 0.00 0.00 35.03 34.39 1sx4 n LYS 51 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sx4 s ASP 52 N -0.97 5.74 0.24 3.14 2.15 -1.26 -4.89 116.67 120.82 1sx4 s ASP 52 Ca 0.14 -1.03 -0.14 0.00 0.43 0.00 0.00 52.55 51.95 1sx4 s ASP 52 Cb 0.08 -2.03 0.31 0.00 -0.30 0.00 0.00 42.92 40.98 1sx4 s ASP 52 CO 0.10 -0.40 1.57 1.23 -0.17 0.00 0.00 175.17 177.50 1sx4 h GLY 53 N 8.44 0.33 2.00 2.66 0.00 -1.91 0.44 103.07 115.04 1sx4 h GLY 53 Ca -0.25 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1sx4 h GLY 53 CO 0.68 -0.27 0.00 -0.24 0.00 0.00 0.00 176.54 176.70 1sx4 h VAL 54 N -0.02 0.00 0.06 4.60 3.04 -1.86 0.19 116.25 122.26 1sx4 h VAL 54 Ca 0.38 -0.35 -0.09 0.00 -1.01 0.00 0.00 66.70 65.63 1sx4 h VAL 54 Cb 0.63 1.24 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1sx4 h VAL 54 CO -0.93 0.00 -0.40 0.28 -1.01 0.00 0.00 177.57 175.51 1sx4 h SER 55 N 0.00 0.24 -0.25 3.17 0.02 -1.35 -2.79 113.55 112.60 1sx4 h SER 55 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1sx4 h SER 55 Cb 0.38 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1sx4 h SER 55 CO 0.00 1.18 0.16 0.58 -1.14 0.00 0.00 176.83 177.61 1sx4 h VAL 56 N -0.65 1.07 0.21 2.27 2.07 -1.05 -3.29 116.25 116.88 1sx4 h VAL 56 Ca -0.07 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1sx4 h VAL 56 Cb 1.30 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1sx4 h VAL 56 CO 0.08 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.63 1sx4 h ALA 57 N 1.09 -0.28 -1.64 1.67 0.00 -0.60 -0.55 119.26 118.94 1sx4 h ALA 57 Ca 0.09 -0.14 0.47 0.00 0.00 0.00 0.00 54.91 55.34 1sx4 h ALA 57 Cb -0.03 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1sx4 h ALA 57 CO -0.02 -0.56 1.25 0.54 0.00 0.00 0.00 179.25 180.46 1sx4 n ARG 58 N -5.12 0.00 0.22 0.00 5.12 -1.06 -1.07 116.66 114.76 1sx4 n ARG 58 Ca -0.09 0.96 0.13 0.00 -1.93 0.00 0.00 57.85 56.92 1sx4 n ARG 58 Cb 0.20 -2.24 0.31 0.00 -1.16 0.00 0.00 32.46 29.57 1sx4 n ARG 58 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1sx4 h GLU 59 N 0.00 0.00 -6.21 5.56 4.39 -1.16 -3.46 114.58 113.71 1sx4 h GLU 59 Ca 0.78 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.91 1sx4 h GLU 59 Cb 3.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.87 1sx4 h GLU 59 CO -0.01 0.00 0.68 0.42 -1.16 0.00 0.00 179.01 178.95 1sx4 s ILE 60 N -3.30 4.63 -0.09 3.13 -1.09 -0.23 -4.99 121.20 119.26 1sx4 s ILE 60 Ca 0.06 1.93 -0.07 0.00 -2.23 0.00 0.00 60.65 60.34 1sx4 s ILE 60 Cb 0.07 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1sx4 s ILE 60 CO 0.63 -0.06 0.23 -0.70 -1.23 0.00 0.00 174.94 173.80 1sx4 s GLU 61 N 2.52 0.23 0.35 2.79 2.12 -1.26 -4.85 118.70 120.59 1sx4 s GLU 61 Ca 0.49 0.39 0.09 0.00 0.36 0.00 0.00 54.97 56.30 1sx4 s GLU 61 Cb -0.19 0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.17 1sx4 s GLU 61 CO 0.15 -0.09 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.26 1sx4 s LEU 62 N 0.59 2.92 -0.05 2.70 1.02 -1.26 -5.04 118.68 119.56 1sx4 s LEU 62 Ca -0.04 -1.06 -0.07 0.00 0.02 0.00 0.00 54.13 52.98 1sx4 s LEU 62 Cb -0.05 -1.25 -0.29 0.00 0.02 0.00 0.00 46.19 44.62 1sx4 s LEU 62 CO -0.03 -0.25 0.66 -0.08 0.02 0.00 0.00 176.35 176.67 1sx4 h GLU 63 N 1.85 0.32 -6.06 1.70 4.81 -2.01 -3.43 114.58 111.77 1sx4 h GLU 63 Ca -0.43 -0.55 -0.58 0.00 -0.13 0.00 0.00 59.36 57.66 1sx4 h GLU 63 Cb 1.25 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1sx4 h GLU 63 CO 0.68 1.22 1.44 -3.47 -0.73 0.00 0.00 179.01 178.15 1sx4 n ASP 64 N -3.52 3.37 0.33 1.04 2.03 -1.26 -4.86 116.55 113.68 1sx4 n ASP 64 Ca -0.24 0.36 0.21 0.00 0.52 0.00 0.00 54.79 55.64 1sx4 n ASP 64 Cb 1.06 -1.53 1.16 0.00 -0.72 0.00 0.00 41.12 41.10 1sx4 n ASP 64 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sx4 h LYS 65 N 14.00 0.00 0.07 -0.67 1.79 -1.91 0.37 116.57 130.22 1sx4 h LYS 65 Ca -0.42 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.79 1sx4 h LYS 65 Cb 1.25 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1sx4 h LYS 65 CO 0.96 0.00 -1.40 0.74 -1.08 0.00 0.00 179.45 178.67 1sx4 h PHE 66 N 0.00 0.28 -0.92 -1.35 0.04 -1.94 -2.83 116.94 110.22 1sx4 h PHE 66 Ca 0.00 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.59 1sx4 h PHE 66 Cb 0.00 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.09 1sx4 h PHE 66 CO 0.00 1.55 0.61 0.93 -0.60 0.00 0.00 178.31 180.80 1sx4 h GLU 67 N -0.49 1.17 -0.09 1.51 5.08 -1.39 -2.13 114.58 118.24 1sx4 h GLU 67 Ca -0.32 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1sx4 h GLU 67 Cb 1.63 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1sx4 h GLU 67 CO -0.03 0.78 0.03 -0.97 -1.00 0.00 0.00 179.01 177.82 1sx4 h ASN 68 N 1.21 0.03 -0.72 1.42 -1.24 -0.37 -1.72 115.58 114.19 1sx4 h ASN 68 Ca 0.35 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.53 1sx4 h ASN 68 Cb -0.06 0.01 -0.12 0.00 0.73 0.00 0.00 38.32 38.88 1sx4 h ASN 68 CO -0.09 0.03 0.09 0.24 -1.29 0.00 0.00 177.43 176.41 1sx4 h MET 69 N 0.07 0.17 -0.47 6.67 2.86 -1.17 0.68 114.93 123.74 1sx4 h MET 69 Ca 0.04 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1sx4 h MET 69 Cb 0.02 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.56 1sx4 h MET 69 CO -0.04 0.11 -0.56 0.78 1.06 0.00 0.00 176.91 178.26 1sx4 h GLY 70 N 0.18 -0.99 1.71 8.32 0.00 -0.71 -1.92 103.07 109.65 1sx4 h GLY 70 Ca 0.40 0.73 -0.15 0.00 0.00 0.00 0.00 47.33 48.31 1sx4 h GLY 70 CO -0.57 -0.10 -0.59 0.00 0.00 0.00 0.00 176.54 175.28 1sx4 h ALA 71 N 0.01 0.82 0.00 3.60 0.00 0.41 -1.04 119.26 123.06 1sx4 h ALA 71 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sx4 h ALA 71 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 71 CO -0.63 0.72 0.00 1.04 0.00 0.00 0.00 179.25 180.38 1sx4 n GLN 72 N -3.89 0.07 -0.09 0.00 1.13 0.19 -0.98 117.38 113.82 1sx4 n GLN 72 Ca -0.03 0.20 -0.13 0.00 -1.94 0.00 0.00 57.00 55.11 1sx4 n GLN 72 Cb 0.61 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 1sx4 n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1sx4 n MET 73 N -1.73 0.50 0.29 -1.09 2.81 -0.45 -3.98 117.12 113.46 1sx4 n MET 73 Ca 0.05 0.53 0.13 0.00 -1.81 0.00 0.00 57.70 56.60 1sx4 n MET 73 Cb 0.27 -1.70 0.84 0.00 -0.71 0.00 0.00 33.22 31.92 1sx4 n MET 73 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1sx4 h VAL 74 N -1.00 0.62 0.00 2.03 -1.51 -1.28 0.14 116.25 115.25 1sx4 h VAL 74 Ca -0.17 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1sx4 h VAL 74 Cb 0.88 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1sx4 h VAL 74 CO -0.10 0.02 0.18 0.50 -1.23 0.00 0.00 177.57 176.94 1sx4 h LYS 75 N 0.00 0.00 0.00 5.19 3.64 -1.19 -0.91 116.57 123.31 1sx4 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sx4 h LYS 75 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1sx4 h LYS 75 CO 0.00 0.00 -0.27 1.49 -2.27 0.00 0.00 179.45 178.40 1sx4 h GLU 76 N 0.00 0.00 -0.02 1.90 4.81 -0.89 -1.55 114.58 118.83 1sx4 h GLU 76 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sx4 h GLU 76 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1sx4 h GLU 76 CO 0.00 0.00 -0.07 -0.39 -0.73 0.00 0.00 179.01 177.82 1sx4 h VAL 77 N 0.00 1.50 -0.93 0.32 -1.51 -1.32 -0.83 116.25 113.48 1sx4 h VAL 77 Ca 0.00 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 1sx4 h VAL 77 Cb 0.76 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 32.39 1sx4 h VAL 77 CO 0.00 0.42 0.55 0.00 -1.23 0.00 0.00 177.57 177.31 1sx4 h ALA 78 N 0.36 1.19 -0.12 5.19 0.00 -1.62 0.33 119.26 124.59 1sx4 h ALA 78 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 78 Cb 0.73 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sx4 h ALA 78 CO 0.02 0.66 0.01 1.03 0.00 0.00 0.00 179.25 180.96 1sx4 h SER 79 N 1.29 0.21 0.49 0.00 0.87 -1.22 -3.09 113.55 112.10 1sx4 h SER 79 Ca 0.33 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1sx4 h SER 79 Cb -0.03 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1sx4 h SER 79 CO -0.06 0.44 -0.24 0.11 -0.53 0.00 0.00 176.83 176.55 1sx4 h LYS 80 N -0.04 -0.64 -0.56 2.24 1.79 -0.65 -1.77 116.57 116.95 1sx4 h LYS 80 Ca 0.04 0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.73 1sx4 h LYS 80 Cb 0.33 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 1sx4 h LYS 80 CO 0.00 -0.38 0.09 0.00 -1.08 0.00 0.00 179.45 178.08 1sx4 n ALA 81 N -2.43 0.37 0.09 3.86 0.00 0.06 -0.93 120.51 121.52 1sx4 n ALA 81 Ca -0.12 0.59 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1sx4 n ALA 81 Cb 0.29 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 19.12 1sx4 n ALA 81 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1sx4 h ASN 82 N 0.00 0.56 0.72 0.00 -0.73 -1.26 -1.06 115.58 113.81 1sx4 h ASN 82 Ca 0.38 -0.73 -0.04 0.00 1.87 0.00 0.00 56.30 57.77 1sx4 h ASN 82 Cb 0.85 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1sx4 h ASN 82 CO -0.50 1.60 -0.20 0.44 -0.37 0.00 0.00 177.43 178.40 1sx4 h ASP 83 N 0.10 0.00 0.07 1.15 3.32 -0.38 0.40 116.42 121.08 1sx4 h ASP 83 Ca -0.27 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.59 1sx4 h ASP 83 Cb 2.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.62 1sx4 h ASP 83 CO 0.19 0.20 -0.93 0.00 -1.72 0.00 0.00 179.24 176.99 1sx4 h ALA 84 N 1.80 0.09 0.00 3.45 0.00 -0.99 -3.42 119.26 120.19 1sx4 h ALA 84 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1sx4 h ALA 84 Cb 0.62 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sx4 h ALA 84 CO 0.03 0.52 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1sx4 n ALA 85 N -2.90 1.33 -3.91 0.00 0.00 -0.42 -5.02 120.51 109.60 1sx4 n ALA 85 Ca -0.20 -0.71 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 1sx4 n ALA 85 Cb 0.75 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 1sx4 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 86 N -0.11 -0.45 3.60 0.00 0.00 0.14 -4.46 105.19 103.91 1sx4 n GLY 86 Ca 0.01 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1sx4 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sx4 s ASP 87 N -2.98 -0.16 0.00 1.61 -1.08 -1.26 -4.70 116.67 108.11 1sx4 s ASP 87 Ca 0.60 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1sx4 s ASP 87 Cb -0.34 0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.27 1sx4 s ASP 87 CO 0.74 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.84 1sx4 n GLY 88 N 0.22 0.71 0.37 2.66 0.00 -1.26 -4.72 105.19 103.17 1sx4 n GLY 88 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1sx4 n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sx4 h THR 89 N 0.00 0.85 -0.12 2.61 1.35 -1.89 0.21 112.91 115.91 1sx4 h THR 89 Ca 0.00 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.56 1sx4 h THR 89 Cb 0.00 0.40 0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1sx4 h THR 89 CO 0.00 0.08 -0.53 0.74 -0.25 0.00 0.00 175.52 175.56 1sx4 h THR 90 N 0.41 1.35 -0.08 6.82 2.02 -1.91 -1.23 112.91 120.29 1sx4 h THR 90 Ca 0.32 -1.82 0.04 0.00 0.77 0.00 0.00 66.41 65.72 1sx4 h THR 90 Cb 0.69 2.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 1sx4 h THR 90 CO -0.10 0.55 -0.22 0.74 0.37 0.00 0.00 175.52 176.87 1sx4 h THR 91 N 0.19 0.47 0.08 3.16 2.02 -1.63 0.23 112.91 117.44 1sx4 h THR 91 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1sx4 h THR 91 Cb 1.17 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1sx4 h THR 91 CO 0.11 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.58 1sx4 h ALA 92 N 0.62 -0.90 -0.65 6.16 0.00 -0.65 0.53 119.26 124.36 1sx4 h ALA 92 Ca 0.08 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1sx4 h ALA 92 Cb 0.43 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 92 CO -0.26 -1.01 -0.27 1.15 0.00 0.00 0.00 179.25 178.87 1sx4 h THR 93 N -0.59 0.22 -0.94 0.00 2.02 -0.68 0.45 112.91 113.39 1sx4 h THR 93 Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1sx4 h THR 93 Cb 0.60 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1sx4 h THR 93 CO -0.23 0.00 0.54 0.58 0.37 0.00 0.00 175.52 176.77 1sx4 h VAL 94 N -0.09 0.71 -0.22 3.16 2.07 0.14 -0.27 116.25 121.75 1sx4 h VAL 94 Ca 0.28 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 1sx4 h VAL 94 Cb 0.54 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1sx4 h VAL 94 CO -0.71 0.13 -0.36 -0.07 0.02 0.00 0.00 177.57 176.58 1sx4 h LEU 95 N 0.70 0.50 0.05 2.57 3.38 0.47 -2.85 115.31 120.14 1sx4 h LEU 95 Ca 0.54 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 58.07 1sx4 h LEU 95 Cb 0.81 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.44 1sx4 h LEU 95 CO -0.38 0.82 -0.95 0.00 0.09 0.00 0.00 178.44 178.02 1sx4 h ALA 96 N 1.21 0.04 -0.14 1.53 0.00 -0.59 0.21 119.26 121.52 1sx4 h ALA 96 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.31 1sx4 h ALA 96 Cb 0.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 96 CO 0.07 0.55 0.32 0.37 0.00 0.00 0.00 179.25 180.55 1sx4 h GLN 97 N 0.12 0.00 0.00 0.00 5.75 -1.04 0.02 115.11 119.97 1sx4 h GLN 97 Ca -0.13 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.13 1sx4 h GLN 97 Cb 1.64 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.16 1sx4 h GLN 97 CO 0.18 0.00 -1.47 0.00 -2.65 0.00 0.00 178.83 174.89 1sx4 n ALA 98 N -2.10 0.85 -0.13 3.38 0.00 -0.72 -1.82 120.51 119.97 1sx4 n ALA 98 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 1sx4 n ALA 98 Cb 0.41 -0.20 0.02 0.00 0.00 0.00 0.00 19.45 19.69 1sx4 n ALA 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sx4 h ILE 99 N -1.00 0.47 0.27 0.00 2.04 -0.12 -2.69 117.51 116.48 1sx4 h ILE 99 Ca -0.35 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1sx4 h ILE 99 Cb 1.22 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1sx4 h ILE 99 CO -0.21 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 178.12 1sx4 h ILE 100 N -0.06 0.54 -0.07 -0.67 2.04 -1.12 0.19 117.51 118.36 1sx4 h ILE 100 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 1sx4 h ILE 100 Cb 0.38 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1sx4 h ILE 100 CO -0.48 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.20 1sx4 h THR 101 N -0.49 0.00 -0.66 -0.27 2.02 -1.16 -0.74 112.91 111.59 1sx4 h THR 101 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1sx4 h THR 101 Cb 0.44 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.76 1sx4 h THR 101 CO -0.02 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.71 1sx4 h GLU 102 N -0.21 0.28 -0.19 6.66 4.39 -1.43 -2.54 114.58 121.54 1sx4 h GLU 102 Ca 0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1sx4 h GLU 102 Cb 0.26 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1sx4 h GLU 102 CO -0.18 0.19 0.05 0.78 -1.16 0.00 0.00 179.01 178.69 1sx4 h GLY 103 N 0.29 0.22 1.96 -3.84 0.00 -0.13 -1.61 103.07 99.96 1sx4 h GLY 103 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1sx4 h GLY 103 CO -0.43 0.01 -0.13 1.41 0.00 0.00 0.00 176.54 177.40 1sx4 h LEU 104 N 0.13 0.05 -1.05 3.11 3.38 -1.05 0.04 115.31 119.92 1sx4 h LEU 104 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1sx4 h LEU 104 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sx4 h LEU 104 CO -0.10 0.18 -0.43 0.50 0.09 0.00 0.00 178.44 178.69 1sx4 h LYS 105 N 0.05 0.00 0.00 1.13 3.64 -0.88 -0.46 116.57 120.05 1sx4 h LYS 105 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1sx4 h LYS 105 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1sx4 h LYS 105 CO 0.02 0.43 -0.52 0.00 -2.27 0.00 0.00 179.45 177.11 1sx4 h ALA 106 N 1.57 0.70 -0.06 5.00 0.00 -0.47 -2.00 119.26 124.00 1sx4 h ALA 106 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1sx4 h ALA 106 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1sx4 h ALA 106 CO 0.06 0.00 -0.78 0.28 0.00 0.00 0.00 179.25 178.81 1sx4 h VAL 107 N 0.00 1.39 0.00 0.00 2.07 0.43 -2.69 116.25 117.45 1sx4 h VAL 107 Ca 0.00 -2.23 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 1sx4 h VAL 107 Cb 0.85 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1sx4 h VAL 107 CO 0.00 0.67 -0.31 0.00 0.02 0.00 0.00 177.57 177.95 1sx4 h ALA 108 N 0.90 1.11 0.00 1.67 0.00 -1.03 0.77 119.26 122.68 1sx4 h ALA 108 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sx4 h ALA 108 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sx4 h ALA 108 CO 0.13 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1sx4 h ALA 109 N 1.69 1.00 0.00 0.00 0.00 -1.17 -3.46 119.26 117.32 1sx4 h ALA 109 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 109 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sx4 h ALA 109 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1sx4 n GLY 110 N -0.45 1.01 3.77 0.00 0.00 0.26 -5.08 105.19 104.70 1sx4 n GLY 110 Ca 0.01 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1sx4 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 111 N -1.88 2.87 -0.58 1.61 -1.94 -1.03 -5.02 119.30 113.34 1sx4 s MET 111 Ca 0.00 1.48 -0.27 0.00 -1.71 0.00 0.00 55.69 55.19 1sx4 s MET 111 Cb 0.00 -1.95 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 1sx4 s MET 111 CO 0.00 -1.21 1.65 1.21 -0.01 0.00 0.00 175.02 176.66 1sx4 s ASN 112 N -2.34 5.71 0.33 3.03 2.47 -1.26 -4.67 114.94 118.21 1sx4 s ASN 112 Ca 0.69 0.34 0.01 0.00 0.42 0.00 0.00 52.86 54.32 1sx4 s ASN 112 Cb -0.22 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.61 1sx4 s ASN 112 CO 0.38 -2.03 1.98 -0.65 -3.72 0.00 0.00 177.10 173.06 1sx4 h PRO 113 N 12.96 0.94 -0.90 0.43 0.11 -1.95 0.43 132.00 144.01 1sx4 h PRO 113 Ca -0.27 -0.06 0.20 0.00 0.11 0.00 0.00 66.00 65.98 1sx4 h PRO 113 Cb 1.13 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 31.96 1sx4 h PRO 113 CO 1.19 0.62 0.59 0.52 -0.21 0.00 0.00 178.00 180.71 1sx4 h MET 114 N 0.96 0.41 0.00 1.05 2.86 -1.92 0.17 114.93 118.46 1sx4 h MET 114 Ca 0.28 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1sx4 h MET 114 Cb -0.04 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1sx4 h MET 114 CO -0.07 0.27 -0.66 -0.44 1.06 0.00 0.00 176.91 177.07 1sx4 h ASP 115 N 0.42 0.00 -0.21 1.22 3.32 -0.55 -2.66 116.42 117.95 1sx4 h ASP 115 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1sx4 h ASP 115 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1sx4 h ASP 115 CO -0.18 0.66 0.09 -0.07 -1.72 0.00 0.00 179.24 178.02 1sx4 h LEU 116 N 0.00 0.29 0.04 1.55 3.38 -0.60 -0.89 115.31 119.08 1sx4 h LEU 116 Ca -0.01 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1sx4 h LEU 116 Cb 1.24 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1sx4 h LEU 116 CO 0.09 0.37 -0.35 0.50 0.09 0.00 0.00 178.44 179.13 1sx4 h LYS 117 N 0.19 -0.51 -0.68 1.13 3.64 -0.70 -0.26 116.57 119.39 1sx4 h LYS 117 Ca 0.07 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1sx4 h LYS 117 Cb 0.16 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 1sx4 h LYS 117 CO -0.01 -0.34 0.20 0.00 -2.27 0.00 0.00 179.45 177.03 1sx4 h ARG 118 N -0.53 0.32 0.54 1.90 3.08 -1.05 0.71 114.38 119.35 1sx4 h ARG 118 Ca 0.05 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1sx4 h ARG 118 Cb 0.59 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1sx4 h ARG 118 CO -0.26 0.21 -0.26 0.78 -1.07 0.00 0.00 179.97 179.38 1sx4 h GLY 119 N 0.33 -0.75 -0.77 0.04 0.00 -0.79 0.57 103.07 101.70 1sx4 h GLY 119 Ca 0.37 0.28 0.13 0.00 0.00 0.00 0.00 47.33 48.10 1sx4 h GLY 119 CO -0.42 -0.27 -0.39 -2.22 0.00 0.00 0.00 176.54 173.24 1sx4 h ILE 120 N -0.76 0.06 0.32 2.60 2.04 -0.37 0.25 117.51 121.65 1sx4 h ILE 120 Ca -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1sx4 h ILE 120 Cb 0.57 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1sx4 h ILE 120 CO 0.12 0.00 -0.15 0.44 0.00 0.00 0.00 178.15 178.56 1sx4 h ASP 121 N -0.07 -0.36 0.05 1.72 3.32 0.88 -1.10 116.42 120.86 1sx4 h ASP 121 Ca 0.28 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1sx4 h ASP 121 Cb 0.57 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1sx4 h ASP 121 CO -0.86 -0.18 -0.44 0.50 -1.72 0.00 0.00 179.24 176.53 1sx4 h LYS 122 N -0.52 -0.61 -0.40 3.56 3.64 0.96 0.97 116.57 124.17 1sx4 h LYS 122 Ca -0.04 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1sx4 h LYS 122 Cb 0.39 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1sx4 h LYS 122 CO 0.07 -0.41 -0.16 0.00 -2.27 0.00 0.00 179.45 176.68 1sx4 n ALA 123 N -2.88 -0.06 -0.07 5.00 0.00 0.81 -1.59 120.51 121.71 1sx4 n ALA 123 Ca -0.07 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1sx4 n ALA 123 Cb 0.38 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 1sx4 n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sx4 h VAL 124 N 0.00 1.32 0.00 0.00 2.07 0.23 -1.09 116.25 118.77 1sx4 h VAL 124 Ca 0.13 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1sx4 h VAL 124 Cb 0.23 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1sx4 h VAL 124 CO -0.40 0.48 -0.01 0.74 0.02 0.00 0.00 177.57 178.41 1sx4 h THR 125 N 0.33 0.46 0.16 2.57 2.02 -0.24 0.16 112.91 118.37 1sx4 h THR 125 Ca 0.02 -0.03 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 1sx4 h THR 125 Cb 0.92 1.02 0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1sx4 h THR 125 CO 0.08 0.01 -1.21 0.00 0.37 0.00 0.00 175.52 174.76 1sx4 h ALA 126 N 1.99 0.01 -0.31 6.16 0.00 -0.93 -3.11 119.26 123.07 1sx4 h ALA 126 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1sx4 h ALA 126 Cb 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sx4 h ALA 126 CO 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 1sx4 h ALA 127 N 0.05 1.31 -0.28 0.00 0.00 0.49 -1.74 119.26 119.08 1sx4 h ALA 127 Ca -0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1sx4 h ALA 127 Cb 1.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1sx4 h ALA 127 CO 0.14 0.47 0.03 0.28 0.00 0.00 0.00 179.25 180.17 1sx4 h VAL 128 N 0.47 1.24 -0.41 0.00 2.07 -0.89 -0.99 116.25 117.74 1sx4 h VAL 128 Ca 0.09 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1sx4 h VAL 128 Cb 0.42 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1sx4 h VAL 128 CO 0.02 0.27 0.02 -0.33 0.02 0.00 0.00 177.57 177.57 1sx4 h GLU 129 N 0.29 0.13 -0.36 1.57 3.07 -1.41 0.13 114.58 117.99 1sx4 h GLU 129 Ca 0.08 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1sx4 h GLU 129 Cb 0.37 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 1sx4 h GLU 129 CO 0.01 0.08 -0.18 0.93 -1.40 0.00 0.00 179.01 178.45 1sx4 h GLU 130 N 0.13 -0.12 -0.34 2.33 4.39 -0.90 0.18 114.58 120.26 1sx4 h GLU 130 Ca 0.20 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1sx4 h GLU 130 Cb 0.28 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1sx4 h GLU 130 CO -0.32 -0.08 0.05 -0.07 -1.16 0.00 0.00 179.01 177.43 1sx4 h LEU 131 N -0.12 -0.02 -1.97 1.33 3.38 -0.85 -0.88 115.31 116.17 1sx4 h LEU 131 Ca 0.18 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1sx4 h LEU 131 Cb 0.40 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sx4 h LEU 131 CO -0.44 0.02 0.00 0.11 0.09 0.00 0.00 178.44 178.23 1sx4 h LYS 132 N 0.16 0.00 0.08 1.13 1.57 0.95 -0.40 116.57 120.06 1sx4 h LYS 132 Ca 0.16 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.67 1sx4 h LYS 132 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sx4 h LYS 132 CO -0.23 0.00 -1.36 0.00 -0.57 0.00 0.00 179.45 177.30 1sx4 h ALA 133 N 2.03 0.30 0.00 3.86 0.00 0.14 -3.31 119.26 122.29 1sx4 h ALA 133 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 54.91 53.74 1sx4 h ALA 133 Cb 0.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1sx4 h ALA 133 CO 0.00 1.18 -0.59 -0.07 0.00 0.00 0.00 179.25 179.76 1sx4 h LEU 134 N 0.05 0.00 -9.72 0.00 4.07 -0.21 -3.46 115.31 106.04 1sx4 h LEU 134 Ca -0.17 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.23 1sx4 h LEU 134 Cb 1.95 0.00 0.10 0.00 1.08 0.00 0.00 40.66 43.79 1sx4 h LEU 134 CO 0.16 0.59 0.61 -0.24 -1.08 0.00 0.00 178.44 178.48 1sx4 n SER 135 N -3.42 2.98 -4.13 -0.43 2.88 -0.77 -4.86 113.62 105.87 1sx4 n SER 135 Ca 0.00 1.18 -0.21 0.00 -1.33 0.00 0.00 58.87 58.52 1sx4 n SER 135 Cb 0.70 -1.49 -0.14 0.00 -0.75 0.00 0.00 64.21 62.53 1sx4 n SER 135 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1sx4 s VAL 136 N -0.64 1.11 0.44 2.46 -7.23 -1.06 -4.91 120.40 110.55 1sx4 s VAL 136 Ca 0.60 -0.89 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1sx4 s VAL 136 Cb -0.58 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 1sx4 s VAL 136 CO 0.57 0.09 1.28 -2.84 -0.31 0.00 0.00 175.10 173.89 1sx4 s PRO 137 N -0.91 3.80 -0.38 4.82 0.02 -1.26 -1.51 135.00 139.58 1sx4 s PRO 137 Ca 0.03 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.08 1sx4 s PRO 137 Cb -0.07 -2.60 0.08 0.00 0.02 0.00 0.00 34.50 31.92 1sx4 s PRO 137 CO 0.01 -0.61 0.16 0.00 -0.33 0.00 0.00 177.00 176.22 1sx4 n SER 139 N 4.72 0.01 -4.90 0.00 3.41 -1.26 -4.45 113.62 111.16 1sx4 n SER 139 Ca -0.08 -0.34 -0.29 0.00 -0.26 0.00 0.00 58.87 57.90 1sx4 n SER 139 Cb 0.43 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1sx4 s ASP 140 N -0.02 5.63 0.35 4.04 1.47 -1.26 -4.99 116.67 121.89 1sx4 s ASP 140 Ca 0.00 0.99 0.07 0.00 1.18 0.00 0.00 52.55 54.79 1sx4 s ASP 140 Cb 0.00 -1.92 0.65 0.00 -0.34 0.00 0.00 42.92 41.31 1sx4 s ASP 140 CO 0.00 -1.14 1.85 0.28 0.68 0.00 0.00 175.17 176.84 1sx4 h SER 141 N -0.39 0.33 -0.28 2.11 0.02 -1.98 -3.05 113.55 110.32 1sx4 h SER 141 Ca -0.45 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1sx4 h SER 141 Cb 1.24 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1sx4 h SER 141 CO 0.62 0.50 0.14 0.50 -1.14 0.00 0.00 176.83 177.46 1sx4 h LYS 142 N 0.32 0.40 0.32 3.45 3.64 -1.99 -1.39 116.57 121.33 1sx4 h LYS 142 Ca 0.06 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1sx4 h LYS 142 Cb 0.45 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sx4 h LYS 142 CO 0.03 0.37 -0.15 0.00 -2.27 0.00 0.00 179.45 177.42 1sx4 h ALA 143 N 1.01 -0.43 -0.99 5.00 0.00 -1.96 -1.60 119.26 120.29 1sx4 h ALA 143 Ca 0.10 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.04 1sx4 h ALA 143 Cb 0.10 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 1sx4 h ALA 143 CO -0.01 -0.63 -0.26 -0.89 0.00 0.00 0.00 179.25 177.45 1sx4 n ILE 144 N -5.19 -0.43 0.05 0.00 5.41 -1.16 0.14 119.36 118.20 1sx4 n ILE 144 Ca -0.10 2.27 0.04 0.00 1.00 0.00 0.00 62.75 65.96 1sx4 n ILE 144 Cb 0.24 -3.12 0.45 0.00 -0.71 0.00 0.00 39.64 36.51 1sx4 n ILE 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sx4 h ALA 145 N 1.91 1.73 -0.10 -1.39 0.00 -0.77 -1.05 119.26 119.58 1sx4 h ALA 145 Ca 0.46 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 1sx4 h ALA 145 Cb 0.71 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sx4 h ALA 145 CO -1.01 0.24 -0.72 1.96 0.00 0.00 0.00 179.25 179.72 1sx4 h GLN 146 N 0.44 0.47 -0.14 0.00 4.20 0.67 0.11 115.11 120.86 1sx4 h GLN 146 Ca 0.12 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 1sx4 h GLN 146 Cb -0.01 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1sx4 h GLN 146 CO -0.02 1.01 -0.16 -0.39 -0.67 0.00 0.00 178.83 178.60 1sx4 h VAL 147 N 0.33 1.35 -0.70 -0.54 -1.51 0.28 -2.32 116.25 113.13 1sx4 h VAL 147 Ca -0.03 -1.33 0.09 0.00 -1.23 0.00 0.00 66.70 64.20 1sx4 h VAL 147 Cb 1.29 1.90 -0.11 0.00 -2.13 0.00 0.00 31.29 32.25 1sx4 h VAL 147 CO 0.13 0.39 -0.48 1.23 -1.23 0.00 0.00 177.57 177.61 1sx4 h GLY 148 N -0.03 -0.55 1.05 5.19 0.00 -1.17 -0.93 103.07 106.63 1sx4 h GLY 148 Ca 0.02 0.63 0.06 0.00 0.00 0.00 0.00 47.33 48.05 1sx4 h GLY 148 CO 0.04 -0.11 0.48 -0.84 0.00 0.00 0.00 176.54 176.10 1sx4 h THR 149 N -0.17 1.03 0.21 4.70 2.02 -0.67 0.16 112.91 120.19 1sx4 h THR 149 Ca 0.18 -0.27 -0.32 0.00 0.77 0.00 0.00 66.41 66.78 1sx4 h THR 149 Cb 0.54 0.19 0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1sx4 h THR 149 CO -0.77 0.14 -1.39 -0.29 0.37 0.00 0.00 175.52 173.58 1sx4 h ILE 150 N 0.77 1.32 -0.73 3.11 6.09 -0.66 -0.13 117.51 127.28 1sx4 h ILE 150 Ca 0.31 -2.72 -0.00 0.00 -1.37 0.00 0.00 64.86 61.09 1sx4 h ILE 150 Cb 0.24 2.95 -0.04 0.00 0.47 0.00 0.00 36.82 40.44 1sx4 h ILE 150 CO -0.10 0.81 0.46 -1.28 -3.07 0.00 0.00 178.15 174.96 1sx4 h SER 151 N 0.16 0.86 -0.20 2.19 0.87 -0.78 -3.05 113.55 113.61 1sx4 h SER 151 Ca -0.22 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.15 1sx4 h SER 151 Cb 2.08 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.77 1sx4 h SER 151 CO 0.26 0.65 0.08 0.00 -0.53 0.00 0.00 176.83 177.29 1sx4 n ALA 152 N -2.43 4.81 -4.42 6.23 0.00 0.00 -4.73 120.51 119.98 1sx4 n ALA 152 Ca 0.08 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.21 1sx4 n ALA 152 Cb 0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1sx4 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sx4 n ASN 153 N 1.30 -1.94 -0.74 0.00 4.05 -1.15 -2.42 115.26 114.36 1sx4 n ASN 153 Ca 0.18 -1.18 -0.03 0.00 0.45 0.00 0.00 54.58 54.00 1sx4 n ASN 153 Cb 0.59 -1.96 0.01 0.00 1.23 0.00 0.00 39.78 39.64 1sx4 n ASN 153 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1sx4 n SER 154 N -2.57 -2.31 -4.27 1.20 7.64 -0.08 -4.95 113.62 108.28 1sx4 n SER 154 Ca 0.05 -0.05 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1sx4 n SER 154 Cb 0.49 -1.03 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 1sx4 n SER 154 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sx4 s ASP 155 N -3.01 6.30 0.55 6.43 -1.08 -1.02 -4.91 116.67 119.94 1sx4 s ASP 155 Ca 0.05 -2.59 0.35 0.00 -0.52 0.00 0.00 52.55 49.84 1sx4 s ASP 155 Cb -0.02 -2.12 1.50 0.00 -1.46 0.00 0.00 42.92 40.82 1sx4 s ASP 155 CO 0.07 -0.56 1.80 -0.33 0.52 0.00 0.00 175.17 176.66 1sx4 h GLU 156 N 7.76 0.00 -0.12 4.34 5.08 -1.91 -2.04 114.58 127.69 1sx4 h GLU 156 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1sx4 h GLU 156 Cb 1.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1sx4 h GLU 156 CO 0.78 0.00 -0.79 1.15 -1.00 0.00 0.00 179.01 179.15 1sx4 h THR 157 N 0.00 1.30 -0.08 1.13 2.02 -1.97 -1.87 112.91 113.45 1sx4 h THR 157 Ca 0.50 -2.04 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 1sx4 h THR 157 Cb 2.11 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 70.56 1sx4 h THR 157 CO -0.01 0.64 -0.02 0.58 0.37 0.00 0.00 175.52 177.09 1sx4 h VAL 158 N 0.46 1.29 -0.64 3.16 2.07 -1.77 -1.11 116.25 119.71 1sx4 h VAL 158 Ca -0.05 -0.92 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1sx4 h VAL 158 Cb 1.41 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 1sx4 h VAL 158 CO 0.15 0.26 0.10 1.23 0.02 0.00 0.00 177.57 179.33 1sx4 h GLY 159 N -0.19 0.81 1.01 2.17 0.00 -1.34 -0.08 103.07 105.44 1sx4 h GLY 159 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1sx4 h GLY 159 CO 0.01 -0.17 0.02 1.70 0.00 0.00 0.00 176.54 178.10 1sx4 h LYS 160 N 0.22 0.87 -0.15 4.80 3.64 -1.20 -0.98 116.57 123.77 1sx4 h LYS 160 Ca 0.35 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1sx4 h LYS 160 Cb 0.56 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sx4 h LYS 160 CO -0.47 0.90 -0.21 1.25 -2.27 0.00 0.00 179.45 178.65 1sx4 h LEU 161 N 0.74 0.44 0.31 5.20 5.85 -0.32 0.29 115.31 127.82 1sx4 h LEU 161 Ca 0.14 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1sx4 h LEU 161 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1sx4 h LEU 161 CO 0.02 0.87 -0.52 0.40 -0.34 0.00 0.00 178.44 178.87 1sx4 h ILE 162 N 0.03 0.00 -0.59 4.05 2.04 -1.05 0.76 117.51 122.76 1sx4 h ILE 162 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1sx4 h ILE 162 Cb 0.77 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 1sx4 h ILE 162 CO 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.91 1sx4 h ALA 163 N -0.73 0.06 -0.71 1.87 0.00 -1.02 0.52 119.26 119.25 1sx4 h ALA 163 Ca -0.03 0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1sx4 h ALA 163 Cb 0.82 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 1sx4 h ALA 163 CO -0.18 -0.62 0.26 0.93 0.00 0.00 0.00 179.25 179.64 1sx4 h GLU 164 N -0.13 0.40 0.26 0.00 5.08 -0.24 -1.99 114.58 117.95 1sx4 h GLU 164 Ca 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1sx4 h GLU 164 Cb 0.54 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sx4 h GLU 164 CO -0.67 0.26 -0.12 0.00 -1.00 0.00 0.00 179.01 177.48 1sx4 h ALA 165 N 1.52 -0.35 -1.34 3.43 0.00 0.12 -2.70 119.26 119.94 1sx4 h ALA 165 Ca 0.38 -0.18 0.39 0.00 0.00 0.00 0.00 54.91 55.50 1sx4 h ALA 165 Cb 0.56 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1sx4 h ALA 165 CO -0.39 -0.51 0.93 0.52 0.00 0.00 0.00 179.25 179.80 1sx4 h MET 166 N -0.71 0.09 -0.05 0.00 2.86 -0.87 0.76 114.93 117.01 1sx4 h MET 166 Ca -0.04 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.35 1sx4 h MET 166 Cb 0.48 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.14 1sx4 h MET 166 CO 0.06 0.06 -0.94 0.22 1.06 0.00 0.00 176.91 177.36 1sx4 h ASP 167 N 0.09 0.88 0.02 1.22 3.58 -1.10 -3.13 116.42 117.97 1sx4 h ASP 167 Ca 0.69 -0.66 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 1sx4 h ASP 167 Cb 2.48 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 43.25 1sx4 h ASP 167 CO -0.14 1.46 -0.76 0.11 -2.88 0.00 0.00 179.24 177.03 1sx4 h LYS 168 N 0.42 0.05 0.00 0.28 1.57 0.84 -3.33 116.57 116.40 1sx4 h LYS 168 Ca -0.10 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1sx4 h LYS 168 Cb 1.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.93 1sx4 h LYS 168 CO 0.19 1.04 0.00 1.33 -0.57 0.00 0.00 179.45 181.44 1sx4 n VAL 169 N -4.41 0.89 -2.69 0.50 0.24 -0.85 -4.59 118.33 107.43 1sx4 n VAL 169 Ca -0.21 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1sx4 n VAL 169 Cb 0.64 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1sx4 n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sx4 n GLY 170 N 0.04 -0.91 0.10 7.63 0.00 -1.18 -2.71 105.19 108.15 1sx4 n GLY 170 Ca 0.03 -1.44 0.01 0.00 0.00 0.00 0.00 46.02 44.62 1sx4 n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sx4 n LYS 171 N 0.00 0.62 -0.52 1.61 5.02 -1.26 -4.20 118.16 119.43 1sx4 n LYS 171 Ca 0.00 0.21 0.06 0.00 -2.02 0.00 0.00 58.31 56.56 1sx4 n LYS 171 Cb 0.00 -1.81 0.25 0.00 -0.02 0.00 0.00 35.03 33.45 1sx4 n LYS 171 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sx4 n GLU 172 N -2.86 2.76 -3.95 1.97 1.02 -1.26 -4.99 120.64 113.33 1sx4 n GLU 172 Ca -0.09 -2.90 -0.33 0.00 -0.02 0.00 0.00 57.16 53.82 1sx4 n GLU 172 Cb 0.80 -1.85 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1sx4 n GLU 172 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sx4 s GLY 173 N -2.01 2.14 0.30 0.62 0.00 -1.16 -3.34 107.32 103.86 1sx4 s GLY 173 Ca 0.43 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 44.19 1sx4 s GLY 173 CO 0.08 -0.66 0.76 0.14 0.00 0.00 0.00 173.10 173.41 1sx4 s VAL 174 N -1.28 4.60 -0.09 1.40 1.01 -1.23 -4.90 120.40 119.91 1sx4 s VAL 174 Ca 0.26 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1sx4 s VAL 174 Cb -0.12 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1sx4 s VAL 174 CO 0.17 -0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.46 1sx4 s ILE 175 N -1.84 1.26 0.07 2.22 1.01 -1.26 -0.80 121.20 121.87 1sx4 s ILE 175 Ca 0.51 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1sx4 s ILE 175 Cb -0.12 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1sx4 s ILE 175 CO 0.18 0.39 -0.17 0.42 0.00 0.00 0.00 174.94 175.76 1sx4 s THR 176 N 1.02 1.41 -0.09 2.92 -4.23 -0.87 -5.01 115.64 110.78 1sx4 s THR 176 Ca -0.07 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1sx4 s THR 176 Cb -0.15 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1sx4 s THR 176 CO -0.01 -0.04 -0.08 0.68 -0.54 0.00 0.00 174.62 174.64 1sx4 s VAL 177 N -1.05 3.62 0.14 2.29 -7.23 -1.26 0.07 120.40 116.98 1sx4 s VAL 177 Ca 0.03 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 1sx4 s VAL 177 Cb -0.09 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1sx4 s VAL 177 CO 0.03 0.57 0.32 -1.83 -0.31 0.00 0.00 175.10 173.88 1sx4 s GLU 178 N -0.49 1.08 0.49 4.82 -1.05 -0.53 -4.96 118.70 118.06 1sx4 s GLU 178 Ca 0.07 -0.96 -0.24 0.00 -0.15 0.00 0.00 54.97 53.70 1sx4 s GLU 178 Cb -0.12 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1sx4 s GLU 178 CO 0.02 -0.40 1.36 -0.25 0.95 0.00 0.00 175.26 176.94 1sx4 n ASP 179 N -0.19 2.87 -4.97 0.83 8.00 -1.26 -3.24 116.55 118.59 1sx4 n ASP 179 Ca -0.12 1.06 -0.19 0.00 0.71 0.00 0.00 54.79 56.24 1sx4 n ASP 179 Cb 0.63 -1.57 0.03 0.00 -0.02 0.00 0.00 41.12 40.20 1sx4 n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1sx4 s GLY 180 N -0.67 1.86 -0.17 0.44 0.00 -0.50 -4.76 107.32 103.53 1sx4 s GLY 180 Ca 0.65 -1.61 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 1sx4 s GLY 180 CO 0.54 -1.32 0.33 -0.91 0.00 0.00 0.00 173.10 171.74 1sx4 h THR 181 N 0.27 1.03 -0.51 0.90 1.35 -1.91 -3.48 112.91 110.56 1sx4 h THR 181 Ca -0.39 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1sx4 h THR 181 Cb 1.29 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1sx4 h THR 181 CO 0.47 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1sx4 n GLY 182 N 1.54 1.60 0.08 5.82 0.00 -1.26 -4.98 105.19 107.98 1sx4 n GLY 182 Ca -0.19 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 1sx4 n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sx4 n LEU 183 N 0.00 0.18 -4.87 0.99 4.77 -1.26 -3.44 117.00 113.37 1sx4 n LEU 183 Ca 0.00 0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 1sx4 n LEU 183 Cb 0.00 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1sx4 n LEU 183 CO 0.00 0.31 0.05 -1.10 -1.33 0.00 0.00 177.39 175.32 1sx4 s GLN 184 N -2.83 3.72 0.46 3.23 1.11 -1.26 -3.54 119.66 120.54 1sx4 s GLN 184 Ca -0.08 0.11 -0.23 0.00 0.01 0.00 0.00 55.36 55.16 1sx4 s GLN 184 Cb 0.09 -3.00 -0.07 0.00 -1.01 0.00 0.00 33.01 29.01 1sx4 s GLN 184 CO 0.85 0.57 1.21 -0.51 0.01 0.00 0.00 175.29 177.42 1sx4 s ASP 185 N -1.81 6.07 -0.02 5.90 1.01 -1.26 -4.04 116.67 122.52 1sx4 s ASP 185 Ca 0.33 2.42 -0.01 0.00 0.71 0.00 0.00 52.55 56.00 1sx4 s ASP 185 Cb -0.14 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.20 1sx4 s ASP 185 CO 0.18 -0.99 0.05 -0.70 0.21 0.00 0.00 175.17 173.91 1sx4 s GLU 186 N -2.64 0.01 -0.25 8.23 2.12 0.50 -4.96 118.70 121.71 1sx4 s GLU 186 Ca 0.64 0.15 -0.05 0.00 0.36 0.00 0.00 54.97 56.07 1sx4 s GLU 186 Cb -0.32 -0.13 -0.00 0.00 0.26 0.00 0.00 34.13 33.94 1sx4 s GLU 186 CO 0.39 -0.10 0.01 -1.17 -0.54 0.00 0.00 175.26 173.85 1sx4 s LEU 187 N 0.65 3.31 -0.12 2.70 2.96 -1.26 -0.31 118.68 126.60 1sx4 s LEU 187 Ca -0.05 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1sx4 s LEU 187 Cb -0.07 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1sx4 s LEU 187 CO -0.02 -0.08 0.13 -1.81 -1.32 0.00 0.00 176.35 173.24 1sx4 s ASP 188 N 1.50 6.28 -0.17 3.68 1.01 -0.60 -5.00 116.67 123.37 1sx4 s ASP 188 Ca 0.04 0.44 -0.04 0.00 0.71 0.00 0.00 52.55 53.71 1sx4 s ASP 188 Cb -0.15 -2.02 0.06 0.00 1.01 0.00 0.00 42.92 41.82 1sx4 s ASP 188 CO -0.00 0.40 0.06 -0.69 0.21 0.00 0.00 175.17 175.15 1sx4 s VAL 189 N -1.00 0.22 0.02 -1.27 1.01 -1.26 -1.00 120.40 117.11 1sx4 s VAL 189 Ca 0.15 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1sx4 s VAL 189 Cb -0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1sx4 s VAL 189 CO 0.04 -0.20 0.72 -0.69 0.00 0.00 0.00 175.10 174.97 1sx4 s VAL 190 N 2.00 4.81 -0.21 2.92 1.01 -0.38 -5.00 120.40 125.56 1sx4 s VAL 190 Ca 0.01 1.52 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 1sx4 s VAL 190 Cb -0.16 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1sx4 s VAL 190 CO -0.08 0.36 0.55 -1.61 0.00 0.00 0.00 175.10 174.32 1sx4 s GLU 191 N 0.03 4.18 5.45 2.72 0.41 -1.26 -3.21 118.70 127.01 1sx4 s GLU 191 Ca 0.37 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1sx4 s GLU 191 Cb -0.20 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.57 1sx4 s GLU 191 CO 0.21 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 1sx4 n GLY 192 N 3.93 1.89 3.75 -1.39 0.00 -1.26 -4.83 105.19 107.30 1sx4 n GLY 192 Ca -0.04 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1sx4 n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sx4 s MET 193 N 0.00 4.09 -0.28 1.61 -2.45 -1.23 -4.65 119.30 116.40 1sx4 s MET 193 Ca 0.00 -0.08 -0.25 0.00 -1.25 0.00 0.00 55.69 54.11 1sx4 s MET 193 Cb 0.00 -3.38 0.11 0.00 1.25 0.00 0.00 34.83 32.81 1sx4 s MET 193 CO 0.00 0.36 0.96 -1.14 1.05 0.00 0.00 175.02 176.25 1sx4 s GLN 194 N 0.14 0.57 0.40 4.11 0.74 -1.26 -2.21 119.66 122.16 1sx4 s GLN 194 Ca 0.12 0.69 0.05 0.00 0.05 0.00 0.00 55.36 56.28 1sx4 s GLN 194 Cb -0.12 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 1sx4 s GLN 194 CO 0.01 -0.07 0.18 -0.59 -0.55 0.00 0.00 175.29 174.28 1sx4 s PHE 195 N 0.31 1.78 -0.31 1.67 -0.71 -0.60 -5.01 117.98 115.11 1sx4 s PHE 195 Ca 0.02 -1.44 -0.01 0.00 -1.04 0.00 0.00 56.93 54.46 1sx4 s PHE 195 Cb -0.05 -1.03 0.19 0.00 -1.21 0.00 0.00 43.02 40.92 1sx4 s PHE 195 CO -0.05 -0.50 2.08 -0.25 -1.34 0.00 0.00 175.22 175.16 1sx4 n ASP 196 N -1.49 6.43 -4.05 1.98 8.00 -1.26 -2.39 116.55 123.77 1sx4 n ASP 196 Ca -0.03 -3.05 -0.28 0.00 0.71 0.00 0.00 54.79 52.14 1sx4 n ASP 196 Cb 0.64 -1.07 -0.17 0.00 -0.02 0.00 0.00 41.12 40.50 1sx4 n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sx4 s ARG 197 N -1.74 2.14 0.51 -1.24 1.81 -1.14 -4.62 118.95 114.68 1sx4 s ARG 197 Ca 0.32 -0.54 0.02 0.00 -1.72 0.00 0.00 55.73 53.81 1sx4 s ARG 197 Cb 0.24 -1.82 0.02 0.00 -0.45 0.00 0.00 34.95 32.95 1sx4 s ARG 197 CO -0.02 -0.05 0.73 0.20 -0.68 0.00 0.00 175.30 175.48 1sx4 s GLY 198 N 0.94 1.77 0.60 -3.53 0.00 -1.24 -0.37 107.32 105.48 1sx4 s GLY 198 Ca -0.08 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.17 1sx4 s GLY 198 CO -0.01 -1.05 0.85 1.58 0.00 0.00 0.00 173.10 174.47 1sx4 n TYR 199 N -2.23 0.42 0.39 1.90 0.18 -1.12 -4.22 117.16 112.48 1sx4 n TYR 199 Ca 0.06 0.44 0.12 0.00 1.88 0.00 0.00 57.90 60.40 1sx4 n TYR 199 Cb 0.59 -2.09 0.15 0.00 -0.38 0.00 0.00 39.34 37.62 1sx4 n TYR 199 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1sx4 h LEU 200 N 0.40 0.00 -7.52 -3.48 3.38 -1.59 -3.44 115.31 103.07 1sx4 h LEU 200 Ca -0.48 -0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.14 1sx4 h LEU 200 Cb 1.37 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.80 1sx4 h LEU 200 CO 0.50 0.04 -0.67 -0.94 0.09 0.00 0.00 178.44 177.46 1sx4 s SER 201 N -4.92 -0.02 0.00 -0.43 1.04 -1.26 -5.02 113.70 103.10 1sx4 s SER 201 Ca 0.05 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.65 1sx4 s SER 201 Cb 0.11 0.05 0.17 0.00 0.10 0.00 0.00 66.02 66.45 1sx4 s SER 201 CO 0.72 -0.11 0.63 -2.65 0.98 0.00 0.00 173.24 172.80 1sx4 n PRO 202 N 3.97 0.10 0.11 4.02 -0.02 -1.26 -2.36 135.00 139.55 1sx4 n PRO 202 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1sx4 n PRO 202 Cb 0.52 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 1sx4 n PRO 202 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1sx4 h TYR 203 N 0.00 0.00 -0.11 6.00 0.05 -1.98 -3.26 116.97 117.67 1sx4 h TYR 203 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1sx4 h TYR 203 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1sx4 h TYR 203 CO 0.00 0.61 0.09 0.74 -1.05 0.00 0.00 178.16 178.55 1sx4 h PHE 204 N 0.00 0.00 -1.31 4.88 0.04 -1.80 -3.44 116.94 115.30 1sx4 h PHE 204 Ca -0.04 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.13 1sx4 h PHE 204 Cb 1.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.63 1sx4 h PHE 204 CO 0.00 0.00 1.49 -0.89 -0.60 0.00 0.00 178.31 178.31 1sx4 n ILE 205 N -4.26 0.17 1.28 -0.55 5.41 -1.23 -4.84 119.36 115.34 1sx4 n ILE 205 Ca -0.00 -0.37 0.13 0.00 1.00 0.00 0.00 62.75 63.50 1sx4 n ILE 205 Cb 0.20 -1.97 0.34 0.00 -0.71 0.00 0.00 39.64 37.51 1sx4 n ILE 205 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1sx4 n ASN 206 N 11.28 1.79 -3.54 4.38 0.23 -1.26 -4.61 115.26 123.52 1sx4 n ASN 206 Ca 0.39 -1.48 -0.29 0.00 -0.53 0.00 0.00 54.58 52.68 1sx4 n ASN 206 Cb 0.32 0.08 -0.12 0.00 -2.08 0.00 0.00 39.78 37.98 1sx4 n ASN 206 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sx4 s LYS 207 N -2.16 0.97 0.53 -3.83 1.02 -1.21 -4.99 119.74 110.08 1sx4 s LYS 207 Ca 0.31 -1.86 0.28 0.00 0.02 0.00 0.00 55.97 54.72 1sx4 s LYS 207 Cb 0.20 -1.75 1.52 0.00 -0.52 0.00 0.00 37.83 37.27 1sx4 s LYS 207 CO 0.39 -1.25 2.10 -1.00 -0.92 0.00 0.00 175.35 174.67 1sx4 h PRO 208 N 6.45 0.00 -0.90 -1.68 0.13 -1.82 -2.65 132.00 131.53 1sx4 h PRO 208 Ca 0.10 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1sx4 h PRO 208 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1sx4 h PRO 208 CO 0.38 0.10 0.59 0.93 -0.23 0.00 0.00 178.00 179.77 1sx4 h GLU 209 N 0.00 1.19 0.00 0.86 3.07 -1.95 -1.74 114.58 116.01 1sx4 h GLU 209 Ca -0.00 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.61 1sx4 h GLU 209 Cb 0.30 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 1sx4 h GLU 209 CO 0.01 0.79 -0.97 1.15 -1.40 0.00 0.00 179.01 178.59 1sx4 h THR 210 N 1.22 1.19 -0.12 1.13 2.02 -2.00 -3.47 112.91 112.88 1sx4 h THR 210 Ca 0.33 -2.78 -0.02 0.00 0.77 0.00 0.00 66.41 64.71 1sx4 h THR 210 Cb -0.14 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1sx4 h THR 210 CO -0.07 0.68 -0.03 0.61 0.37 0.00 0.00 175.52 177.08 1sx4 n GLY 211 N 1.34 0.38 3.07 2.16 0.00 -0.66 -5.04 105.19 106.44 1sx4 n GLY 211 Ca -0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1sx4 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 s ALA 212 N -2.05 0.35 -0.01 4.61 0.00 -1.05 -4.48 121.76 119.12 1sx4 s ALA 212 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1sx4 s ALA 212 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1sx4 s ALA 212 CO 0.00 -0.32 0.30 0.08 0.00 0.00 0.00 175.76 175.81 1sx4 s VAL 213 N -3.24 5.24 -0.09 0.00 1.01 0.94 -3.34 120.40 120.92 1sx4 s VAL 213 Ca 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1sx4 s VAL 213 Cb 0.03 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1sx4 s VAL 213 CO -0.08 0.47 0.18 -0.70 0.00 0.00 0.00 175.10 174.98 1sx4 s GLU 214 N -1.42 0.07 0.04 2.72 2.12 -1.26 -0.83 118.70 120.14 1sx4 s GLU 214 Ca 0.24 0.57 0.05 0.00 0.36 0.00 0.00 54.97 56.19 1sx4 s GLU 214 Cb -0.14 -0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.01 1sx4 s GLU 214 CO 0.13 -0.28 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.92 1sx4 s LEU 215 N 2.12 2.18 -0.04 2.70 1.43 -0.83 -4.93 118.68 121.32 1sx4 s LEU 215 Ca 0.01 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1sx4 s LEU 215 Cb -0.12 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1sx4 s LEU 215 CO -0.06 0.03 -0.25 -1.61 0.23 0.00 0.00 176.35 174.68 1sx4 s GLU 216 N -1.19 2.32 -1.57 1.70 2.02 -1.26 -0.68 118.70 120.02 1sx4 s GLU 216 Ca 0.01 -0.91 -0.14 0.00 0.02 0.00 0.00 54.97 53.95 1sx4 s GLU 216 Cb -0.08 -2.08 0.10 0.00 0.10 0.00 0.00 34.13 32.17 1sx4 s GLU 216 CO 0.01 0.46 0.90 0.43 0.02 0.00 0.00 175.26 177.08 1sx4 n SER 217 N 2.72 -4.08 -4.81 -0.19 7.64 -0.17 -4.63 113.62 110.11 1sx4 n SER 217 Ca -0.17 -0.86 -0.36 0.00 1.01 0.00 0.00 58.87 58.50 1sx4 n SER 217 Cb 0.52 -3.52 -0.06 0.00 -1.01 0.00 0.00 64.21 60.13 1sx4 n SER 217 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sx4 s PRO 218 N -6.69 4.29 0.58 1.43 0.04 -1.18 -4.61 135.00 128.86 1sx4 s PRO 218 Ca 0.64 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1sx4 s PRO 218 Cb -0.33 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1sx4 s PRO 218 CO 0.86 0.33 1.05 -0.06 0.04 0.00 0.00 177.00 179.21 1sx4 s PHE 219 N -1.62 3.06 -0.13 0.56 0.08 -0.45 -2.52 117.98 116.95 1sx4 s PHE 219 Ca 0.47 1.51 0.01 0.00 0.12 0.00 0.00 56.93 59.03 1sx4 s PHE 219 Cb -0.16 -2.98 0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1sx4 s PHE 219 CO 0.21 -0.99 -0.14 0.42 -0.10 0.00 0.00 175.22 174.62 1sx4 s ILE 220 N -2.45 1.48 -0.34 0.64 1.01 0.21 -0.52 121.20 121.22 1sx4 s ILE 220 Ca 0.63 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 1sx4 s ILE 220 Cb -0.15 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1sx4 s ILE 220 CO 0.35 0.44 0.29 -0.22 0.00 0.00 0.00 174.94 175.80 1sx4 s LEU 221 N 1.39 4.51 -0.37 2.97 2.96 0.13 -0.44 118.68 129.82 1sx4 s LEU 221 Ca 0.02 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1sx4 s LEU 221 Cb -0.13 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.38 1sx4 s LEU 221 CO -0.08 -0.28 0.19 -0.76 -1.32 0.00 0.00 176.35 174.10 1sx4 s LEU 222 N 1.83 4.68 -0.24 -0.68 1.43 -1.26 -0.55 118.68 123.89 1sx4 s LEU 222 Ca 0.08 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1sx4 s LEU 222 Cb -0.17 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1sx4 s LEU 222 CO 0.11 -0.39 -0.13 0.00 0.23 0.00 0.00 176.35 176.17 1sx4 s ALA 223 N 1.52 2.52 -1.37 4.21 0.00 -0.59 -1.59 121.76 126.45 1sx4 s ALA 223 Ca 0.01 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 1sx4 s ALA 223 Cb -0.19 -1.49 0.10 0.00 0.00 0.00 0.00 23.12 21.54 1sx4 s ALA 223 CO 0.06 -0.93 2.12 -3.47 0.00 0.00 0.00 175.76 173.54 1sx4 n ASP 224 N 4.51 5.26 0.00 0.00 2.03 -0.92 -2.24 116.55 125.18 1sx4 n ASP 224 Ca -0.16 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.16 1sx4 n ASP 224 Cb 0.45 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1sx4 n ASP 224 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1sx4 n LYS 225 N 4.34 0.00 -1.80 -0.67 2.85 -1.26 -4.37 118.16 117.24 1sx4 n LYS 225 Ca 0.49 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.37 1sx4 n LYS 225 Cb 0.35 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.78 1sx4 n LYS 225 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1sx4 s LYS 226 N -2.00 2.97 -0.28 -1.58 1.02 -1.26 -3.08 119.74 115.53 1sx4 s LYS 226 Ca 0.00 2.14 0.03 0.00 0.02 0.00 0.00 55.97 58.15 1sx4 s LYS 226 Cb 0.00 -2.11 0.07 0.00 -0.52 0.00 0.00 37.83 35.27 1sx4 s LYS 226 CO 0.00 -1.30 -0.05 0.42 -0.92 0.00 0.00 175.35 173.51 1sx4 s ILE 227 N -1.36 2.01 -0.16 2.17 1.01 -0.53 -4.92 121.20 119.41 1sx4 s ILE 227 Ca 0.75 -1.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1sx4 s ILE 227 Cb -0.38 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 1sx4 s ILE 227 CO 0.44 -0.22 -0.19 -1.20 0.00 0.00 0.00 174.94 173.77 1sx4 n SER 228 N 4.45 1.75 -4.69 3.58 7.64 -1.26 -2.88 113.62 122.21 1sx4 n SER 228 Ca -0.08 0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.51 1sx4 n SER 228 Cb 0.42 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 1sx4 n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1sx4 s ASN 229 N -6.13 6.71 0.46 6.43 0.01 -1.26 -0.13 114.94 121.03 1sx4 s ASN 229 Ca -0.22 0.86 0.26 0.00 -0.71 0.00 0.00 52.86 53.04 1sx4 s ASN 229 Cb 0.08 -2.32 1.03 0.00 0.41 0.00 0.00 41.25 40.44 1sx4 s ASN 229 CO 0.31 -0.13 1.87 -0.29 -1.51 0.00 0.00 177.10 177.36 1sx4 h ILE 230 N 4.93 0.47 -0.74 0.60 2.10 -1.90 -3.09 117.51 119.87 1sx4 h ILE 230 Ca -0.37 -0.98 0.17 0.00 1.08 0.00 0.00 64.86 64.76 1sx4 h ILE 230 Cb 1.17 1.70 -0.12 0.00 -1.09 0.00 0.00 36.82 38.47 1sx4 h ILE 230 CO 0.76 0.18 0.10 0.03 -1.08 0.00 0.00 178.15 178.13 1sx4 h ARG 231 N 0.00 0.18 -0.02 2.19 3.08 -2.00 0.20 114.38 118.00 1sx4 h ARG 231 Ca -0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sx4 h ARG 231 Cb 0.68 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1sx4 h ARG 231 CO 0.02 0.12 0.20 0.93 -1.07 0.00 0.00 179.97 180.17 1sx4 h GLU 232 N 0.18 0.00 0.06 0.04 5.08 -1.97 -2.91 114.58 115.06 1sx4 h GLU 232 Ca 0.42 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.41 1sx4 h GLU 232 Cb 0.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1sx4 h GLU 232 CO -0.59 0.00 -2.14 -1.33 -1.00 0.00 0.00 179.01 173.95 1sx4 n MET 233 N -3.03 0.68 -0.35 2.33 2.81 0.66 -2.68 117.12 117.55 1sx4 n MET 233 Ca -0.02 0.26 -0.03 0.00 -1.81 0.00 0.00 57.70 56.10 1sx4 n MET 233 Cb 0.26 -1.63 0.01 0.00 -0.71 0.00 0.00 33.22 31.15 1sx4 n MET 233 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1sx4 n LEU 234 N -3.58 -0.66 -0.19 4.03 4.77 -1.05 0.31 117.00 120.64 1sx4 n LEU 234 Ca -0.39 1.55 0.27 0.00 -0.03 0.00 0.00 56.01 57.41 1sx4 n LEU 234 Cb 0.97 -0.32 0.69 0.00 -2.33 0.00 0.00 43.42 42.43 1sx4 n LEU 234 CO 0.31 -1.36 1.25 1.55 -1.33 0.00 0.00 177.39 177.81 1sx4 h PRO 235 N 0.00 0.07 0.00 3.23 0.13 -1.84 -2.43 132.00 131.16 1sx4 h PRO 235 Ca 0.27 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.35 1sx4 h PRO 235 Cb 0.49 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1sx4 h PRO 235 CO -0.87 0.05 -0.51 0.28 -0.23 0.00 0.00 178.00 176.72 1sx4 h VAL 236 N 0.07 0.29 -1.04 1.56 2.07 -0.38 -3.17 116.25 115.64 1sx4 h VAL 236 Ca 0.43 -1.31 0.30 0.00 0.82 0.00 0.00 66.70 66.95 1sx4 h VAL 236 Cb 1.61 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1sx4 h VAL 236 CO -0.04 0.10 0.88 -0.07 0.02 0.00 0.00 177.57 178.46 1sx4 h LEU 237 N -1.00 0.00 0.04 2.57 3.38 -1.05 0.84 115.31 120.09 1sx4 h LEU 237 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.59 1sx4 h LEU 237 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1sx4 h LEU 237 CO -0.04 0.00 -1.81 -0.62 0.09 0.00 0.00 178.44 176.06 1sx4 n GLU 238 N -3.86 0.67 0.17 1.13 1.02 -0.94 -1.99 120.64 116.85 1sx4 n GLU 238 Ca 0.22 0.28 0.05 0.00 -0.02 0.00 0.00 57.16 57.70 1sx4 n GLU 238 Cb 1.22 -1.76 0.50 0.00 -0.02 0.00 0.00 31.44 31.37 1sx4 n GLU 238 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 239 N 0.72 1.73 0.10 0.62 0.00 -0.84 -2.64 119.26 118.96 1sx4 h ALA 239 Ca -0.33 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 1sx4 h ALA 239 Cb 2.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.77 1sx4 h ALA 239 CO 0.08 0.21 -1.18 0.28 0.00 0.00 0.00 179.25 178.64 1sx4 h VAL 240 N 0.14 1.41 0.00 0.00 2.07 -1.34 -3.11 116.25 115.42 1sx4 h VAL 240 Ca 0.03 -2.73 -0.02 0.00 0.82 0.00 0.00 66.70 64.81 1sx4 h VAL 240 Cb 0.19 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1sx4 h VAL 240 CO 0.01 0.81 -0.10 0.00 0.02 0.00 0.00 177.57 178.31 1sx4 h ALA 241 N 0.53 1.54 0.08 1.67 0.00 -1.21 -2.08 119.26 119.78 1sx4 h ALA 241 Ca -0.14 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 1sx4 h ALA 241 Cb 1.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1sx4 h ALA 241 CO 0.21 0.12 -1.12 0.87 0.00 0.00 0.00 179.25 179.32 1sx4 h LYS 242 N 0.00 0.24 0.00 0.00 1.57 -1.50 -3.24 116.57 113.64 1sx4 h LYS 242 Ca -0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1sx4 h LYS 242 Cb 0.21 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1sx4 h LYS 242 CO 0.01 1.14 -0.10 0.00 -0.57 0.00 0.00 179.45 179.93 1sx4 n ALA 243 N -2.50 2.48 -1.55 3.86 0.00 -1.00 -4.95 120.51 116.84 1sx4 n ALA 243 Ca -0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1sx4 n ALA 243 Cb 0.96 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1sx4 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 244 N 1.42 0.89 3.64 0.00 0.00 -0.81 -5.02 105.19 105.31 1sx4 n GLY 244 Ca 0.06 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1sx4 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx4 s LYS 245 N -3.36 2.37 1.00 1.61 1.02 -1.24 -5.07 119.74 116.06 1sx4 s LYS 245 Ca 0.00 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.88 1sx4 s LYS 245 Cb 0.00 -2.41 0.19 0.00 -0.52 0.00 0.00 37.83 35.09 1sx4 s LYS 245 CO 0.00 0.50 1.12 -1.25 -0.92 0.00 0.00 175.35 174.80 1sx4 s PRO 246 N -2.47 0.44 -0.04 -1.68 0.04 -1.26 -4.75 135.00 125.29 1sx4 s PRO 246 Ca 0.25 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 1sx4 s PRO 246 Cb -0.11 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1sx4 s PRO 246 CO 0.17 -2.68 0.08 -1.17 0.04 0.00 0.00 177.00 173.43 1sx4 s LEU 247 N -6.37 1.03 -0.07 -3.56 2.96 0.18 -1.34 118.68 111.51 1sx4 s LEU 247 Ca 0.66 0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.61 1sx4 s LEU 247 Cb -0.16 0.13 -0.05 0.00 0.50 0.00 0.00 46.19 46.61 1sx4 s LEU 247 CO 0.56 -0.12 0.26 -0.22 -1.32 0.00 0.00 176.35 175.51 1sx4 s LEU 248 N 0.98 4.42 -0.28 -0.68 2.96 0.32 -1.42 118.68 124.97 1sx4 s LEU 248 Ca -0.08 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1sx4 s LEU 248 Cb -0.11 -2.30 0.06 0.00 0.50 0.00 0.00 46.19 44.34 1sx4 s LEU 248 CO -0.04 0.36 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.67 1sx4 s ILE 249 N -0.98 2.55 -0.42 6.68 -1.09 0.42 0.19 121.20 128.54 1sx4 s ILE 249 Ca 0.19 -1.56 -0.05 0.00 -2.23 0.00 0.00 60.65 56.99 1sx4 s ILE 249 Cb -0.14 -2.50 0.11 0.00 -1.58 0.00 0.00 42.46 38.35 1sx4 s ILE 249 CO 0.08 -0.10 0.24 -0.63 -1.23 0.00 0.00 174.94 173.30 1sx4 s ILE 250 N 1.16 3.59 0.45 2.92 1.01 0.29 -1.95 121.20 128.66 1sx4 s ILE 250 Ca -0.06 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 58.72 1sx4 s ILE 250 Cb -0.20 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1sx4 s ILE 250 CO -0.03 -0.69 0.05 0.00 0.00 0.00 0.00 174.94 174.27 1sx4 s ALA 251 N 1.22 3.59 0.53 9.38 0.00 -1.23 -1.55 121.76 133.70 1sx4 s ALA 251 Ca 0.07 -1.62 0.23 0.00 0.00 0.00 0.00 51.96 50.64 1sx4 s ALA 251 Cb -0.24 0.01 1.37 0.00 0.00 0.00 0.00 23.12 24.26 1sx4 s ALA 251 CO -0.03 -0.11 2.03 1.49 0.00 0.00 0.00 175.76 179.14 1sx4 h GLU 252 N 1.54 0.00 -1.01 0.00 4.81 -1.37 0.53 114.58 119.08 1sx4 h GLU 252 Ca -0.43 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.11 1sx4 h GLU 252 Cb 1.27 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 1sx4 h GLU 252 CO 0.76 0.00 1.00 0.34 -0.73 0.00 0.00 179.01 180.38 1sx4 s ASP 253 N -6.41 -0.00 -0.24 1.04 2.15 -1.26 -4.26 116.67 107.69 1sx4 s ASP 253 Ca -0.05 0.00 0.01 0.00 0.43 0.00 0.00 52.55 52.94 1sx4 s ASP 253 Cb 0.19 0.00 0.06 0.00 -0.30 0.00 0.00 42.92 42.88 1sx4 s ASP 253 CO 0.72 -0.00 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.98 1sx4 s VAL 254 N -1.75 1.49 0.13 1.11 1.01 -1.26 -1.45 120.40 119.68 1sx4 s VAL 254 Ca 0.11 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1sx4 s VAL 254 Cb -0.01 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.61 1sx4 s VAL 254 CO -0.04 -0.14 0.18 -0.62 0.00 0.00 0.00 175.10 174.48 1sx4 n GLU 255 N 4.68 0.46 0.00 2.72 1.02 -1.14 -4.74 120.64 123.64 1sx4 n GLU 255 Ca -0.11 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1sx4 n GLU 255 Cb 0.44 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1sx4 n GLU 255 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx4 n GLY 256 N 3.62 -1.83 0.40 0.62 0.00 -1.26 -1.34 105.19 105.39 1sx4 n GLY 256 Ca 0.03 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1sx4 n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sx4 h GLU 257 N 0.00 -0.31 0.80 1.61 4.22 -1.92 0.20 114.58 119.17 1sx4 h GLU 257 Ca 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1sx4 h GLU 257 Cb 0.00 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sx4 h GLU 257 CO 0.00 -0.21 -0.39 0.00 -2.18 0.00 0.00 179.01 176.23 1sx4 h ALA 258 N 0.40 -1.28 -0.22 2.92 0.00 -0.63 -3.02 119.26 117.42 1sx4 h ALA 258 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 258 Cb 0.58 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1sx4 h ALA 258 CO -0.59 -1.21 -0.47 1.25 0.00 0.00 0.00 179.25 178.24 1sx4 h LEU 259 N -1.08 -1.52 -0.87 0.00 5.85 -0.91 -0.11 115.31 116.67 1sx4 h LEU 259 Ca -0.11 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1sx4 h LEU 259 Cb 0.84 0.61 -0.12 0.00 0.37 0.00 0.00 40.66 42.35 1sx4 h LEU 259 CO 0.17 -0.38 -0.45 0.00 -0.34 0.00 0.00 178.44 177.44 1sx4 n ALA 260 N -2.98 -0.39 -0.25 1.25 0.00 0.68 0.21 120.51 119.03 1sx4 n ALA 260 Ca -0.04 0.78 -0.06 0.00 0.00 0.00 0.00 53.44 54.13 1sx4 n ALA 260 Cb 0.30 -0.22 0.05 0.00 0.00 0.00 0.00 19.45 19.59 1sx4 n ALA 260 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sx4 h THR 261 N 0.00 1.20 -0.50 0.00 2.02 -1.15 0.86 112.91 115.33 1sx4 h THR 261 Ca 0.20 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 66.98 1sx4 h THR 261 Cb 0.41 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1sx4 h THR 261 CO -0.83 0.21 0.20 -0.07 0.37 0.00 0.00 175.52 175.40 1sx4 h LEU 262 N 0.94 0.24 -0.55 2.58 3.38 0.10 0.12 115.31 122.13 1sx4 h LEU 262 Ca 0.25 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1sx4 h LEU 262 Cb -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1sx4 h LEU 262 CO -0.04 0.17 0.35 0.58 0.09 0.00 0.00 178.44 179.58 1sx4 h VAL 263 N 0.40 1.11 -0.42 1.22 2.07 0.74 0.31 116.25 121.68 1sx4 h VAL 263 Ca 0.24 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1sx4 h VAL 263 Cb 0.22 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1sx4 h VAL 263 CO -0.22 0.13 0.10 0.58 0.02 0.00 0.00 177.57 178.18 1sx4 h VAL 264 N 0.71 1.19 0.06 2.57 2.07 -0.06 -2.30 116.25 120.49 1sx4 h VAL 264 Ca 0.21 -0.67 -0.28 0.00 0.82 0.00 0.00 66.70 66.77 1sx4 h VAL 264 Cb -0.05 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1sx4 h VAL 264 CO -0.06 0.25 -1.14 0.78 0.02 0.00 0.00 177.57 177.41 1sx4 h ASN 265 N 0.60 0.85 -0.18 0.57 -0.26 0.23 -3.07 115.58 114.33 1sx4 h ASN 265 Ca 0.14 -0.74 -0.18 0.00 -0.56 0.00 0.00 56.30 54.96 1sx4 h ASN 265 Cb 0.24 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1sx4 h ASN 265 CO -0.00 1.54 -0.56 0.71 -1.06 0.00 0.00 177.43 178.06 1sx4 h THR 266 N 0.32 1.29 0.10 2.81 1.35 -0.99 -2.82 112.91 114.97 1sx4 h THR 266 Ca -0.15 -1.77 0.02 0.00 -0.55 0.00 0.00 66.41 63.96 1sx4 h THR 266 Cb 1.80 1.69 -0.05 0.00 -1.73 0.00 0.00 68.15 69.87 1sx4 h THR 266 CO 0.22 0.57 -0.38 -0.03 -0.25 0.00 0.00 175.52 175.64 1sx4 h MET 267 N 0.59 -0.58 0.00 4.72 -1.53 -1.45 -2.78 114.93 113.90 1sx4 h MET 267 Ca 0.01 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1sx4 h MET 267 Cb 1.15 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 32.34 1sx4 h MET 267 CO 0.12 -0.39 0.00 0.54 0.14 0.00 0.00 176.91 177.32 1sx4 n ARG 268 N -5.45 0.52 -1.95 0.39 1.74 -1.16 -4.79 116.66 105.96 1sx4 n ARG 268 Ca -0.07 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.95 1sx4 n ARG 268 Cb 0.36 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.63 1sx4 n ARG 268 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sx4 n GLY 269 N 0.03 0.24 0.03 -0.13 0.00 -1.05 -4.98 105.19 99.33 1sx4 n GLY 269 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1sx4 n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sx4 h ILE 270 N 0.00 0.00 -3.54 -0.61 2.04 -1.68 -3.47 117.51 110.26 1sx4 h ILE 270 Ca -0.16 -0.14 -0.32 0.00 1.00 0.00 0.00 64.86 65.24 1sx4 h ILE 270 Cb 0.99 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.74 1sx4 h ILE 270 CO 0.19 0.00 -0.74 -0.69 0.00 0.00 0.00 178.15 176.91 1sx4 s VAL 271 N -1.68 0.11 -0.36 1.67 1.01 -1.24 -5.02 120.40 114.90 1sx4 s VAL 271 Ca -0.01 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1sx4 s VAL 271 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1sx4 s VAL 271 CO 0.03 0.12 1.52 -0.54 0.00 0.00 0.00 175.10 176.23 1sx4 s LYS 272 N 0.90 3.58 0.05 2.72 3.01 -1.26 -3.99 119.74 124.75 1sx4 s LYS 272 Ca -0.09 1.18 -0.00 0.00 -1.01 0.00 0.00 55.97 56.06 1sx4 s LYS 272 Cb -0.12 -4.05 -0.04 0.00 -1.01 0.00 0.00 37.83 32.61 1sx4 s LYS 272 CO -0.02 -1.56 -0.04 0.08 0.51 0.00 0.00 175.35 174.33 1sx4 s VAL 273 N 5.65 0.28 0.06 3.17 1.01 -1.26 -0.65 120.40 128.66 1sx4 s VAL 273 Ca 0.67 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1sx4 s VAL 273 Cb -0.18 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1sx4 s VAL 273 CO 0.31 -0.88 0.25 0.00 0.00 0.00 0.00 175.10 174.79 1sx4 s ALA 274 N -3.39 -0.51 -0.01 5.51 0.00 -0.51 -4.87 121.76 117.98 1sx4 s ALA 274 Ca 0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1sx4 s ALA 274 Cb 0.04 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1sx4 s ALA 274 CO -0.07 -0.43 0.13 0.00 0.00 0.00 0.00 175.76 175.39 1sx4 s ALA 275 N -2.88 -0.31 -0.23 0.00 0.00 -1.26 -0.44 121.76 116.64 1sx4 s ALA 275 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 1sx4 s ALA 275 Cb 0.00 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1sx4 s ALA 275 CO -0.05 -0.17 0.65 0.14 0.00 0.00 0.00 175.76 176.32 1sx4 s VAL 276 N -1.06 0.00 0.94 0.00 -7.23 -0.82 -1.29 120.40 110.95 1sx4 s VAL 276 Ca -0.11 -0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.94 1sx4 s VAL 276 Cb -0.06 -0.91 0.13 0.00 0.56 0.00 0.00 36.38 36.09 1sx4 s VAL 276 CO 0.01 -0.00 0.95 0.29 -0.31 0.00 0.00 175.10 176.04 1sx4 n LYS 277 N 2.62 -0.56 -2.09 4.82 5.02 -1.26 -3.56 118.16 123.15 1sx4 n LYS 277 Ca -0.14 -0.10 -0.33 0.00 -2.02 0.00 0.00 58.31 55.72 1sx4 n LYS 277 Cb 0.56 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1sx4 n LYS 277 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sx4 s ALA 278 N -2.56 2.79 0.25 7.82 0.00 0.18 -4.75 121.76 125.49 1sx4 s ALA 278 Ca 0.65 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1sx4 s ALA 278 Cb -0.23 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1sx4 s ALA 278 CO 0.61 -0.73 1.12 -1.25 0.00 0.00 0.00 175.76 175.51 1sx4 s PRO 279 N -4.11 4.60 2.11 0.00 0.04 -1.26 -4.86 135.00 131.52 1sx4 s PRO 279 Ca 0.63 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1sx4 s PRO 279 Cb -0.15 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1sx4 s PRO 279 CO 0.37 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.95 1sx4 n GLY 280 N 1.45 -0.15 0.00 0.56 0.00 -1.26 -4.24 105.19 101.54 1sx4 n GLY 280 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1sx4 n GLY 280 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sx4 n PHE 281 N -1.09 0.00 -0.52 1.61 -1.74 -1.26 -4.81 117.46 109.66 1sx4 n PHE 281 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1sx4 n PHE 281 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1sx4 n PHE 281 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sx4 n GLY 282 N 1.00 3.36 0.13 4.97 0.00 -1.26 -3.14 105.19 110.25 1sx4 n GLY 282 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1sx4 n GLY 282 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sx4 h ASP 283 N 1.04 0.56 -0.07 1.61 3.32 -2.00 -3.34 116.42 117.53 1sx4 h ASP 283 Ca 0.00 -0.79 -0.02 0.00 0.02 0.00 0.00 57.03 56.24 1sx4 h ASP 283 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1sx4 h ASP 283 CO 0.00 1.66 -0.01 0.08 -1.72 0.00 0.00 179.24 179.25 1sx4 h ARG 284 N 0.10 0.23 -0.49 3.56 0.11 -1.96 -3.13 114.38 112.80 1sx4 h ARG 284 Ca -0.30 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 59.80 1sx4 h ARG 284 Cb 2.08 -0.04 -0.08 0.00 1.11 0.00 0.00 29.97 33.03 1sx4 h ARG 284 CO 0.18 0.26 -0.52 -0.09 0.10 0.00 0.00 179.97 179.90 1sx4 h ARG 285 N 0.23 -0.28 -0.59 0.08 2.43 -1.67 1.33 114.38 115.92 1sx4 h ARG 285 Ca 0.06 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1sx4 h ARG 285 Cb 0.17 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1sx4 h ARG 285 CO 0.00 -0.18 0.36 0.87 -1.51 0.00 0.00 179.97 179.51 1sx4 h LYS 286 N -0.29 0.69 -0.50 0.20 1.57 -1.76 1.09 116.57 117.59 1sx4 h LYS 286 Ca 0.08 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1sx4 h LYS 286 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1sx4 h LYS 286 CO -0.62 0.46 0.16 0.00 -0.57 0.00 0.00 179.45 178.88 1sx4 h ALA 287 N 1.26 0.65 -0.14 3.86 0.00 -1.39 -1.87 119.26 121.62 1sx4 h ALA 287 Ca 0.24 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 287 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sx4 h ALA 287 CO -0.10 0.30 -0.68 1.98 0.00 0.00 0.00 179.25 180.75 1sx4 h MET 288 N 0.67 0.58 -0.57 0.00 4.05 0.26 -2.27 114.93 117.65 1sx4 h MET 288 Ca 0.16 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 1sx4 h MET 288 Cb 0.26 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1sx4 h MET 288 CO -0.01 1.05 0.33 1.25 0.23 0.00 0.00 176.91 179.77 1sx4 h LEU 289 N 0.42 0.68 -1.05 3.39 6.46 0.12 -1.56 115.31 123.77 1sx4 h LEU 289 Ca -0.02 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1sx4 h LEU 289 Cb 1.26 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 1sx4 h LEU 289 CO 0.13 0.53 0.64 -0.61 -0.62 0.00 0.00 178.44 178.51 1sx4 h GLN 290 N 0.79 1.20 -0.34 1.25 5.75 -0.91 -1.31 115.11 121.54 1sx4 h GLN 290 Ca 0.20 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.71 1sx4 h GLN 290 Cb -0.01 -0.27 -0.07 0.00 1.07 0.00 0.00 27.48 28.19 1sx4 h GLN 290 CO -0.04 0.79 -0.15 -0.44 -2.65 0.00 0.00 178.83 176.34 1sx4 h ASP 291 N 1.23 -0.53 -0.93 -0.69 3.32 -0.73 -1.49 116.42 116.60 1sx4 h ASP 291 Ca 0.39 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.59 1sx4 h ASP 291 Cb 0.01 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1sx4 h ASP 291 CO -0.12 -0.19 0.61 0.40 -1.72 0.00 0.00 179.24 178.22 1sx4 h ILE 292 N -0.10 1.20 0.28 0.35 2.04 -1.04 -1.25 117.51 119.00 1sx4 h ILE 292 Ca 0.17 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1sx4 h ILE 292 Cb 0.36 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1sx4 h ILE 292 CO -0.41 0.22 -0.50 0.00 0.00 0.00 0.00 178.15 177.47 1sx4 h ALA 293 N 1.36 -1.00 -0.25 1.87 0.00 -0.65 -2.74 119.26 117.84 1sx4 h ALA 293 Ca 0.35 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1sx4 h ALA 293 Cb -0.08 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1sx4 h ALA 293 CO -0.09 -1.12 -0.16 1.15 0.00 0.00 0.00 179.25 179.03 1sx4 h THR 294 N -0.84 0.54 -0.42 0.00 2.02 -0.71 0.45 112.91 113.95 1sx4 h THR 294 Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1sx4 h THR 294 Cb 0.79 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1sx4 h THR 294 CO -0.19 0.00 0.28 0.25 0.37 0.00 0.00 175.52 176.23 1sx4 h LEU 295 N -0.14 0.33 -2.08 2.58 7.12 -1.20 -2.36 115.31 119.55 1sx4 h LEU 295 Ca 0.14 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1sx4 h LEU 295 Cb 0.35 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1sx4 h LEU 295 CO -0.34 0.22 0.00 0.35 -0.13 0.00 0.00 178.44 178.54 1sx4 n THR 296 N -4.48 0.45 -3.46 1.05 -2.24 -0.95 -2.32 114.28 102.33 1sx4 n THR 296 Ca 0.05 -0.72 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 1sx4 n THR 296 Cb 0.21 0.90 0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1sx4 n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx4 n GLY 297 N 0.58 -0.39 3.71 3.38 0.00 0.14 -0.78 105.19 111.83 1sx4 n GLY 297 Ca 0.09 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1sx4 n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sx4 s GLY 298 N -4.15 2.84 -0.16 -0.02 0.00 -0.06 -4.48 107.32 101.30 1sx4 s GLY 298 Ca 0.12 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1sx4 s GLY 298 CO 0.73 -2.16 -0.20 -1.59 0.00 0.00 0.00 173.10 169.87 1sx4 s THR 299 N -2.82 2.14 0.23 0.90 2.01 0.26 -4.42 115.64 113.94 1sx4 s THR 299 Ca 0.16 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 1sx4 s THR 299 Cb 0.05 -1.88 -0.11 0.00 0.01 0.00 0.00 72.50 70.57 1sx4 s THR 299 CO 0.08 0.54 1.56 -0.69 -0.69 0.00 0.00 174.62 175.43 1sx4 s VAL 300 N 0.97 2.38 -0.62 3.82 1.01 -1.26 -4.69 120.40 122.01 1sx4 s VAL 300 Ca -0.03 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1sx4 s VAL 300 Cb -0.15 -3.19 0.16 0.00 0.00 0.00 0.00 36.38 33.20 1sx4 s VAL 300 CO -0.05 0.04 0.44 -0.63 0.00 0.00 0.00 175.10 174.89 1sx4 s ILE 301 N 0.52 3.72 0.03 2.22 1.01 -0.62 -4.99 121.20 123.09 1sx4 s ILE 301 Ca 0.66 -2.93 0.05 0.00 0.00 0.00 0.00 60.65 58.43 1sx4 s ILE 301 Cb -0.45 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1sx4 s ILE 301 CO 0.39 -0.87 -0.11 -0.94 0.00 0.00 0.00 174.94 173.41 1sx4 s SER 302 N 0.74 4.33 0.00 3.58 1.04 -1.26 -2.17 113.70 119.96 1sx4 s SER 302 Ca 0.17 -0.26 0.16 0.00 0.48 0.00 0.00 55.95 56.50 1sx4 s SER 302 Cb -0.20 -0.90 0.95 0.00 0.10 0.00 0.00 66.02 65.97 1sx4 s SER 302 CO -0.03 0.26 1.37 -0.62 0.98 0.00 0.00 173.24 175.20 1sx4 n GLU 303 N 1.48 0.56 0.12 4.02 1.02 -1.26 -2.99 120.64 123.59 1sx4 n GLU 303 Ca -0.15 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.75 1sx4 n GLU 303 Cb 0.52 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1sx4 n GLU 303 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sx4 h GLU 304 N 0.00 0.54 -0.38 3.49 5.08 -1.90 -3.02 114.58 118.39 1sx4 h GLU 304 Ca 0.00 -0.85 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 1sx4 h GLU 304 Cb 0.00 0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1sx4 h GLU 304 CO 0.00 1.40 0.00 -0.89 -1.00 0.00 0.00 179.01 178.52 1sx4 n ILE 305 N -3.80 0.26 -2.99 3.13 5.41 -1.18 -4.90 119.36 115.29 1sx4 n ILE 305 Ca -0.16 -0.18 -0.01 0.00 1.00 0.00 0.00 62.75 63.40 1sx4 n ILE 305 Cb 1.03 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 1sx4 n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sx4 n GLY 306 N 0.50 -1.19 3.26 7.39 0.00 -1.14 -5.06 105.19 108.96 1sx4 n GLY 306 Ca 0.04 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 1sx4 n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 307 N -3.06 1.07 0.02 1.61 -1.94 -1.16 -5.01 119.30 110.83 1sx4 s MET 307 Ca 0.02 -1.23 0.07 0.00 -1.71 0.00 0.00 55.69 52.84 1sx4 s MET 307 Cb -0.00 -1.07 -0.02 0.00 2.01 0.00 0.00 34.83 35.74 1sx4 s MET 307 CO 0.71 0.22 -0.20 -1.21 -0.01 0.00 0.00 175.02 174.54 1sx4 s GLU 308 N -2.46 1.42 0.19 2.03 2.02 -1.26 -4.21 118.70 116.43 1sx4 s GLU 308 Ca 0.09 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 1sx4 s GLU 308 Cb -0.07 -1.46 0.17 0.00 0.10 0.00 0.00 34.13 32.87 1sx4 s GLU 308 CO 0.04 0.38 1.77 -0.07 0.02 0.00 0.00 175.26 177.40 1sx4 h LEU 309 N 5.18 0.29 -0.85 1.80 3.38 -1.93 -2.69 115.31 120.49 1sx4 h LEU 309 Ca -0.40 0.05 0.19 0.00 0.09 0.00 0.00 57.88 57.80 1sx4 h LEU 309 Cb 1.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 1sx4 h LEU 309 CO 0.45 0.20 0.37 -0.33 0.09 0.00 0.00 178.44 179.22 1sx4 h GLU 310 N 0.44 0.43 -3.40 1.13 3.07 -1.85 -2.48 114.58 111.93 1sx4 h GLU 310 Ca 0.24 -0.03 -0.75 0.00 -0.50 0.00 0.00 59.36 58.33 1sx4 h GLU 310 Cb 0.21 -0.10 -0.14 0.00 -0.84 0.00 0.00 28.75 27.89 1sx4 h GLU 310 CO -0.21 0.29 2.21 1.63 -1.40 0.00 0.00 179.01 181.53 1sx4 n LYS 311 N -5.01 3.70 -3.53 2.33 5.02 -1.01 -4.74 118.16 114.91 1sx4 n LYS 311 Ca 0.19 -3.42 -0.19 0.00 -2.02 0.00 0.00 58.31 52.88 1sx4 n LYS 311 Cb 0.55 -2.91 -0.14 0.00 -0.02 0.00 0.00 35.03 32.52 1sx4 n LYS 311 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sx4 s ALA 312 N 0.42 -0.19 0.83 7.82 0.00 -0.94 -4.71 121.76 124.99 1sx4 s ALA 312 Ca 0.43 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1sx4 s ALA 312 Cb 0.11 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 22.11 1sx4 s ALA 312 CO -0.02 -1.11 1.18 0.95 0.00 0.00 0.00 175.76 176.76 1sx4 s THR 313 N 2.31 2.00 0.38 0.00 -4.23 -1.26 -4.56 115.64 110.27 1sx4 s THR 313 Ca 0.06 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.75 1sx4 s THR 313 Cb -0.15 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.11 1sx4 s THR 313 CO -0.11 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.60 1sx4 h LEU 314 N -1.16 0.45 -0.97 4.79 3.38 -1.93 -2.39 115.31 117.48 1sx4 h LEU 314 Ca -0.47 0.14 0.15 0.00 0.09 0.00 0.00 57.88 57.79 1sx4 h LEU 314 Cb 1.33 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 1sx4 h LEU 314 CO 0.64 -0.04 0.58 -0.08 0.09 0.00 0.00 178.44 179.63 1sx4 h GLU 315 N 0.33 0.80 0.00 1.13 4.81 -2.00 -0.74 114.58 118.91 1sx4 h GLU 315 Ca 0.70 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 1sx4 h GLU 315 Cb 1.76 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.95 1sx4 h GLU 315 CO -0.45 0.53 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.77 1sx4 h ASP 316 N 0.83 0.00 -3.73 1.04 3.32 -1.80 -3.44 116.42 112.64 1sx4 h ASP 316 Ca 0.52 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 57.05 1sx4 h ASP 316 Cb 0.68 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.29 1sx4 h ASP 316 CO -0.33 0.15 0.66 -0.76 -1.72 0.00 0.00 179.24 177.24 1sx4 s LEU 317 N -8.05 4.42 1.01 1.55 1.02 -0.29 0.89 118.68 119.23 1sx4 s LEU 317 Ca -0.04 2.64 -0.14 0.00 0.02 0.00 0.00 54.13 56.62 1sx4 s LEU 317 Cb 0.15 -3.64 0.19 0.00 0.02 0.00 0.00 46.19 42.91 1sx4 s LEU 317 CO 0.65 -0.56 1.12 -0.83 0.02 0.00 0.00 176.35 176.75 1sx4 s GLY 318 N -0.24 1.58 -0.01 -3.19 0.00 0.41 -4.39 107.32 101.47 1sx4 s GLY 318 Ca 0.52 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 1sx4 s GLY 318 CO 0.49 0.08 0.32 1.62 0.00 0.00 0.00 173.10 175.61 1sx4 s GLN 319 N -5.19 0.68 0.32 2.90 0.74 0.04 0.64 119.66 119.79 1sx4 s GLN 319 Ca 0.66 -0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.91 1sx4 s GLN 319 Cb -0.15 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 1sx4 s GLN 319 CO 0.56 -0.19 0.34 0.00 -0.55 0.00 0.00 175.29 175.45 1sx4 s ALA 320 N -1.33 1.35 -0.16 1.58 0.00 -1.05 -2.11 121.76 120.04 1sx4 s ALA 320 Ca -0.14 -1.81 0.18 0.00 0.00 0.00 0.00 51.96 50.19 1sx4 s ALA 320 Cb -0.05 1.35 -0.07 0.00 0.00 0.00 0.00 23.12 24.35 1sx4 s ALA 320 CO 0.04 -0.71 0.97 0.87 0.00 0.00 0.00 175.76 176.94 1sx4 h LYS 321 N 2.18 0.00 -1.64 0.00 1.57 -1.31 -3.13 116.57 114.25 1sx4 h LYS 321 Ca -0.27 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1sx4 h LYS 321 Cb 1.24 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 1sx4 h LYS 321 CO 0.39 0.24 0.46 1.03 -0.57 0.00 0.00 179.45 181.00 1sx4 s ARG 322 N -3.04 0.62 0.04 3.15 0.52 -1.19 -1.00 118.95 118.05 1sx4 s ARG 322 Ca -0.01 0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.59 1sx4 s ARG 322 Cb 0.09 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.83 1sx4 s ARG 322 CO 0.79 -0.15 -0.10 0.14 0.02 0.00 0.00 175.30 176.00 1sx4 s VAL 323 N -0.57 0.76 -0.13 3.52 -7.23 0.14 -0.76 120.40 116.13 1sx4 s VAL 323 Ca -0.01 -0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1sx4 s VAL 323 Cb -0.02 -0.75 0.04 0.00 0.56 0.00 0.00 36.38 36.21 1sx4 s VAL 323 CO -0.00 -0.18 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.91 1sx4 s VAL 324 N -1.04 0.64 -0.07 1.32 1.01 -0.24 -1.97 120.40 120.05 1sx4 s VAL 324 Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1sx4 s VAL 324 Cb -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1sx4 s VAL 324 CO 0.01 0.11 -0.11 0.27 0.00 0.00 0.00 175.10 175.38 1sx4 s ILE 325 N 1.84 1.09 0.00 2.22 -4.36 -0.01 -0.87 121.20 121.11 1sx4 s ILE 325 Ca 0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 1sx4 s ILE 325 Cb -0.14 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.56 1sx4 s ILE 325 CO -0.07 0.35 0.00 0.59 0.24 0.00 0.00 174.94 176.05 1sx4 n ASN 326 N 3.91 0.39 -0.09 4.36 3.02 0.00 -0.04 115.26 126.81 1sx4 n ASN 326 Ca -0.22 -0.59 0.10 0.00 -0.03 0.00 0.00 54.58 53.84 1sx4 n ASN 326 Cb 0.51 0.00 0.46 0.00 -0.61 0.00 0.00 39.78 40.15 1sx4 n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sx4 h LYS 327 N 0.00 0.47 -0.05 3.52 3.64 -1.93 -2.97 116.57 119.25 1sx4 h LYS 327 Ca 0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1sx4 h LYS 327 Cb 0.00 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 31.43 1sx4 h LYS 327 CO 0.00 0.31 -0.74 -0.40 -2.27 0.00 0.00 179.45 176.36 1sx4 n ASP 328 N -4.48 0.20 -3.31 4.20 5.68 -1.26 -3.70 116.55 113.88 1sx4 n ASP 328 Ca 0.09 -2.02 -0.08 0.00 -0.50 0.00 0.00 54.79 52.28 1sx4 n ASP 328 Cb 0.30 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.18 1sx4 n ASP 328 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sx4 s THR 329 N -0.47 -0.64 0.18 2.12 2.01 -1.11 -2.86 115.64 114.86 1sx4 s THR 329 Ca 0.20 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1sx4 s THR 329 Cb 0.26 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.77 1sx4 s THR 329 CO -0.09 -0.21 0.62 -0.89 -0.69 0.00 0.00 174.62 173.36 1sx4 s THR 330 N 2.56 4.75 -0.14 -0.82 2.01 0.50 -0.82 115.64 123.68 1sx4 s THR 330 Ca 0.11 0.97 -0.07 0.00 0.31 0.00 0.00 61.69 63.02 1sx4 s THR 330 Cb -0.14 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.67 1sx4 s THR 330 CO -0.24 0.20 0.32 0.28 -0.69 0.00 0.00 174.62 174.49 1sx4 s THR 331 N -1.52 -0.20 -0.22 -0.82 -1.32 -0.04 -1.55 115.64 109.96 1sx4 s THR 331 Ca 0.41 0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.92 1sx4 s THR 331 Cb -0.15 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.29 1sx4 s THR 331 CO 0.20 0.07 0.26 -0.63 -2.21 0.00 0.00 174.62 172.31 1sx4 s ILE 332 N 1.74 5.29 -0.30 5.08 1.01 -0.94 -1.08 121.20 132.01 1sx4 s ILE 332 Ca -0.06 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 1sx4 s ILE 332 Cb -0.10 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1sx4 s ILE 332 CO -0.10 0.31 0.17 -0.63 0.00 0.00 0.00 174.94 174.69 1sx4 s ILE 333 N 1.11 4.91 -0.28 2.92 1.01 0.06 -4.12 121.20 126.80 1sx4 s ILE 333 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1sx4 s ILE 333 Cb -0.14 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1sx4 s ILE 333 CO 0.06 0.15 0.03 -0.67 0.00 0.00 0.00 174.94 174.50 1sx4 n ASP 334 N 5.02 -6.94 -4.87 3.58 2.03 -1.26 -2.95 116.55 111.17 1sx4 n ASP 334 Ca -0.14 1.38 -0.31 0.00 0.52 0.00 0.00 54.79 56.24 1sx4 n ASP 334 Cb 0.50 -5.17 -0.04 0.00 -0.72 0.00 0.00 41.12 35.69 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sx4 s GLY 335 N -1.46 2.06 0.49 0.27 0.00 -1.26 -2.11 107.32 105.31 1sx4 s GLY 335 Ca -0.03 -0.14 0.29 0.00 0.00 0.00 0.00 44.72 44.83 1sx4 s GLY 335 CO 0.76 0.05 1.89 -2.08 0.00 0.00 0.00 173.10 173.72 1sx4 h VAL 336 N 1.36 0.27 -1.65 1.40 2.07 -1.44 -3.46 116.25 114.80 1sx4 h VAL 336 Ca -0.47 -0.82 -0.71 0.00 0.82 0.00 0.00 66.70 65.52 1sx4 h VAL 336 Cb 1.18 1.65 0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1sx4 h VAL 336 CO 0.64 0.10 0.80 0.61 0.02 0.00 0.00 177.57 179.75 1sx4 n GLY 337 N 0.13 0.83 3.77 2.17 0.00 -0.98 -4.84 105.19 106.27 1sx4 n GLY 337 Ca 0.01 0.86 -0.40 0.00 0.00 0.00 0.00 46.02 46.48 1sx4 n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sx4 s GLU 338 N 2.72 3.90 0.03 1.61 2.02 -1.26 -4.80 118.70 122.92 1sx4 s GLU 338 Ca 0.94 2.34 0.11 0.00 0.02 0.00 0.00 54.97 58.37 1sx4 s GLU 338 Cb -0.99 -2.77 0.46 0.00 0.10 0.00 0.00 34.13 30.93 1sx4 s GLU 338 CO 0.58 -0.61 1.34 0.39 0.02 0.00 0.00 175.26 176.98 1sx4 n GLU 339 N 0.10 0.02 0.23 1.61 1.02 -1.26 -1.25 120.64 121.11 1sx4 n GLU 339 Ca 0.03 0.35 -0.15 0.00 -0.02 0.00 0.00 57.16 57.37 1sx4 n GLU 339 Cb 0.42 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1sx4 n GLU 339 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 340 N 2.31 -0.54 -0.07 0.62 0.00 -1.99 -0.91 119.26 118.68 1sx4 h ALA 340 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1sx4 h ALA 340 Cb 0.17 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sx4 h ALA 340 CO 0.00 -0.81 -0.80 0.00 0.00 0.00 0.00 179.25 177.64 1sx4 h ALA 341 N 0.07 0.47 0.73 0.00 0.00 -1.55 -2.83 119.26 116.15 1sx4 h ALA 341 Ca -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1sx4 h ALA 341 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sx4 h ALA 341 CO 0.08 0.76 -0.39 0.82 0.00 0.00 0.00 179.25 180.53 1sx4 h ILE 342 N 0.32 0.21 -0.79 0.00 2.04 -1.38 -1.76 117.51 116.16 1sx4 h ILE 342 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1sx4 h ILE 342 Cb 1.41 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1sx4 h ILE 342 CO 0.14 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.20 1sx4 h GLN 343 N -1.03 0.59 0.38 2.37 5.75 -1.26 -1.76 115.11 120.15 1sx4 h GLN 343 Ca -0.10 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1sx4 h GLN 343 Cb 0.81 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1sx4 h GLN 343 CO 0.14 0.39 -0.18 0.78 -2.65 0.00 0.00 178.83 177.31 1sx4 h GLY 344 N 0.61 -0.53 1.59 2.39 0.00 -1.34 -0.89 103.07 104.90 1sx4 h GLY 344 Ca 0.38 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.96 1sx4 h GLY 344 CO -0.14 -0.19 0.15 -0.09 0.00 0.00 0.00 176.54 176.26 1sx4 h ARG 345 N -0.85 0.00 -0.09 4.80 9.65 -1.05 0.58 114.38 127.42 1sx4 h ARG 345 Ca -0.05 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.64 1sx4 h ARG 345 Cb 0.54 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1sx4 h ARG 345 CO 0.09 0.00 -0.74 0.28 2.80 0.00 0.00 179.97 182.40 1sx4 h VAL 346 N 0.00 1.36 0.00 0.20 2.07 -1.25 -2.77 116.25 115.86 1sx4 h VAL 346 Ca 0.09 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1sx4 h VAL 346 Cb 0.39 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1sx4 h VAL 346 CO -0.00 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.23 1sx4 n ALA 347 N -2.53 1.74 -0.08 1.67 0.00 0.13 -1.48 120.51 119.97 1sx4 n ALA 347 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1sx4 n ALA 347 Cb 0.71 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 1sx4 n ALA 347 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sx4 h GLN 348 N 0.00 0.00 0.00 0.00 4.20 -1.30 -3.35 115.11 114.66 1sx4 h GLN 348 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sx4 h GLN 348 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1sx4 h GLN 348 CO 0.00 0.75 0.00 -0.89 -0.67 0.00 0.00 178.83 178.02 1sx4 n ILE 349 N -4.56 0.70 -0.07 2.54 5.41 -1.05 -1.75 119.36 120.58 1sx4 n ILE 349 Ca -0.17 0.18 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1sx4 n ILE 349 Cb 0.47 -0.93 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 1sx4 n ILE 349 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1sx4 h ARG 350 N 0.00 0.36 -0.01 0.38 9.65 -1.39 -3.23 114.38 120.14 1sx4 h ARG 350 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1sx4 h ARG 350 Cb 0.18 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1sx4 h ARG 350 CO 0.00 0.39 -0.24 1.04 2.80 0.00 0.00 179.97 183.96 1sx4 n GLN 351 N -4.80 1.05 -0.25 0.20 6.02 -0.72 -3.78 117.38 115.11 1sx4 n GLN 351 Ca -0.03 -0.66 -0.07 0.00 -0.01 0.00 0.00 57.00 56.23 1sx4 n GLN 351 Cb 0.12 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.96 1sx4 n GLN 351 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1sx4 h GLN 352 N 1.62 1.12 -0.10 -1.09 1.08 -1.51 -2.79 115.11 113.44 1sx4 h GLN 352 Ca 0.00 -0.26 -0.19 0.00 -1.45 0.00 0.00 58.65 56.75 1sx4 h GLN 352 Cb 0.55 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1sx4 h GLN 352 CO 0.00 0.98 -0.72 0.82 -0.95 0.00 0.00 178.83 178.96 1sx4 h ILE 353 N 1.06 1.36 -0.98 2.54 2.04 -1.66 -1.09 117.51 120.78 1sx4 h ILE 353 Ca 0.22 -2.09 0.01 0.00 1.00 0.00 0.00 64.86 64.00 1sx4 h ILE 353 Cb 0.36 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 1sx4 h ILE 353 CO 0.00 0.63 0.64 -0.33 0.00 0.00 0.00 178.15 179.10 1sx4 h GLU 354 N 0.32 1.30 -0.48 2.37 4.39 -1.63 -2.93 114.58 117.92 1sx4 h GLU 354 Ca -0.03 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1sx4 h GLU 354 Cb 1.30 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1sx4 h GLU 354 CO 0.13 0.87 0.00 0.39 -1.16 0.00 0.00 179.01 179.23 1sx4 n GLU 355 N -4.39 3.05 -2.20 2.33 1.02 -1.07 -4.86 120.64 114.52 1sx4 n GLU 355 Ca 0.11 -2.48 -0.35 0.00 -0.02 0.00 0.00 57.16 54.43 1sx4 n GLU 355 Cb 0.02 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 1sx4 n GLU 355 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 s ALA 356 N -1.45 2.16 -2.00 0.62 0.00 -0.41 -4.83 121.76 115.85 1sx4 s ALA 356 Ca 0.37 -1.33 0.13 0.00 0.00 0.00 0.00 51.96 51.13 1sx4 s ALA 356 Cb 0.23 -4.43 0.80 0.00 0.00 0.00 0.00 23.12 19.72 1sx4 s ALA 356 CO 0.20 -4.10 1.31 0.25 0.00 0.00 0.00 175.76 173.43 1sx4 n THR 357 N 7.28 0.00 -4.64 0.00 -2.24 -1.26 -4.80 114.28 108.62 1sx4 n THR 357 Ca 0.27 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.75 1sx4 n THR 357 Cb 0.50 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 1sx4 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sx4 s SER 358 N -1.70 4.07 -0.17 3.42 0.15 -1.26 -5.08 113.70 113.12 1sx4 s SER 358 Ca 0.20 -1.50 0.01 0.00 0.70 0.00 0.00 55.95 55.37 1sx4 s SER 358 Cb 0.09 0.10 -0.22 0.00 -1.71 0.00 0.00 66.02 64.28 1sx4 s SER 358 CO 0.15 -0.69 0.13 0.47 1.20 0.00 0.00 173.24 174.51 1sx4 n ASP 359 N -1.17 1.73 0.08 5.45 8.00 -1.26 -4.30 116.55 125.08 1sx4 n ASP 359 Ca -0.12 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 1sx4 n ASP 359 Cb 0.67 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1sx4 n ASP 359 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1sx4 h TYR 360 N 0.03 0.47 0.00 1.24 3.20 -1.98 -3.22 116.97 116.72 1sx4 h TYR 360 Ca -0.48 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.11 1sx4 h TYR 360 Cb 2.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1sx4 h TYR 360 CO 0.04 1.11 0.00 -0.25 -1.64 0.00 0.00 178.16 177.42 1sx4 n ASP 361 N -3.68 0.00 -0.09 -2.11 9.92 -1.26 -3.30 116.55 116.03 1sx4 n ASP 361 Ca -0.06 -0.51 -0.13 0.00 -0.53 0.00 0.00 54.79 53.56 1sx4 n ASP 361 Cb 0.86 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.26 1sx4 n ASP 361 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1sx4 n ARG 362 N -0.96 0.44 0.25 -1.24 0.63 -1.22 -4.40 116.66 110.17 1sx4 n ARG 362 Ca 0.10 0.10 -0.16 0.00 -0.92 0.00 0.00 57.85 56.98 1sx4 n ARG 362 Cb 0.05 -1.35 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 1sx4 n ARG 362 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sx4 h GLU 363 N -0.02 -0.76 -0.67 -0.14 4.39 -1.56 -2.66 114.58 113.16 1sx4 h GLU 363 Ca -0.40 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.40 1sx4 h GLU 363 Cb 1.61 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 30.38 1sx4 h GLU 363 CO -0.07 -0.51 0.39 0.87 -1.16 0.00 0.00 179.01 178.53 1sx4 h LYS 364 N -0.79 0.70 -0.40 2.33 1.79 -1.84 -1.18 116.57 117.18 1sx4 h LYS 364 Ca -0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1sx4 h LYS 364 Cb 0.70 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1sx4 h LYS 364 CO -0.05 0.47 0.21 -0.07 -1.08 0.00 0.00 179.45 178.93 1sx4 h LEU 365 N 0.73 0.51 -1.18 2.94 3.38 -1.76 -1.04 115.31 118.89 1sx4 h LEU 365 Ca 0.29 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1sx4 h LEU 365 Cb 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1sx4 h LEU 365 CO -0.16 0.47 -0.04 1.56 0.09 0.00 0.00 178.44 180.36 1sx4 h GLN 366 N 0.51 0.53 0.76 1.13 4.20 -1.18 -0.64 115.11 120.42 1sx4 h GLN 366 Ca 0.14 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1sx4 h GLN 366 Cb 0.08 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1sx4 h GLN 366 CO -0.02 0.58 -0.48 0.93 -0.67 0.00 0.00 178.83 179.17 1sx4 h GLU 367 N 0.50 -1.12 -0.70 1.46 5.08 -0.83 -2.80 114.58 116.17 1sx4 h GLU 367 Ca 0.10 0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 1sx4 h GLU 367 Cb 0.38 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.78 1sx4 h GLU 367 CO 0.02 -0.75 0.18 0.00 -1.00 0.00 0.00 179.01 177.46 1sx4 h ARG 368 N -1.16 0.29 -0.98 2.33 3.08 -0.95 0.11 114.38 117.10 1sx4 h ARG 368 Ca -0.10 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.08 1sx4 h ARG 368 Cb 0.93 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.83 1sx4 h ARG 368 CO 0.10 0.19 0.59 -0.39 -1.07 0.00 0.00 179.97 179.39 1sx4 h VAL 369 N 0.29 0.82 -0.16 2.04 -1.51 -1.07 -1.10 116.25 115.56 1sx4 h VAL 369 Ca 0.39 -0.29 -0.19 0.00 -1.23 0.00 0.00 66.70 65.37 1sx4 h VAL 369 Cb 0.63 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1sx4 h VAL 369 CO -0.47 0.16 -0.67 0.00 -1.23 0.00 0.00 177.57 175.36 1sx4 h ALA 370 N 1.58 0.50 0.00 5.19 0.00 -0.56 0.54 119.26 126.51 1sx4 h ALA 370 Ca 0.52 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 370 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sx4 h ALA 370 CO -0.32 0.71 -0.10 0.87 0.00 0.00 0.00 179.25 180.40 1sx4 h LYS 371 N 0.47 0.00 0.00 0.00 1.57 -0.23 -2.89 116.57 115.49 1sx4 h LYS 371 Ca -0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 1sx4 h LYS 371 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 1sx4 h LYS 371 CO 0.13 0.10 -2.22 1.28 -0.57 0.00 0.00 179.45 178.18 1sx4 n LEU 372 N -3.32 0.00 0.00 2.94 4.77 -0.57 -3.53 117.00 117.28 1sx4 n LEU 372 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sx4 n LEU 372 Cb 0.31 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1sx4 n LEU 372 CO 0.29 0.43 0.00 0.00 -1.33 0.00 0.00 177.39 176.78 1sx4 n ALA 373 N -2.65 0.14 -1.27 -1.18 0.00 0.19 -5.02 120.51 110.72 1sx4 n ALA 373 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1sx4 n ALA 373 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1sx4 n ALA 373 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 374 N 2.91 0.81 3.41 0.00 0.00 -1.10 -4.97 105.19 106.26 1sx4 n GLY 374 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1sx4 n GLY 374 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sx4 s GLY 375 N 0.00 2.10 -0.12 -0.02 0.00 -1.10 -4.17 107.32 104.01 1sx4 s GLY 375 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 42.94 1sx4 s GLY 375 CO 0.00 -1.72 -0.08 0.14 0.00 0.00 0.00 173.10 171.43 1sx4 s VAL 376 N -3.45 3.51 0.05 1.40 1.01 -1.20 -3.57 120.40 118.16 1sx4 s VAL 376 Ca 0.34 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1sx4 s VAL 376 Cb 0.07 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1sx4 s VAL 376 CO 0.15 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.57 1sx4 s ALA 377 N 0.00 1.83 -0.07 5.51 0.00 0.02 -1.25 121.76 127.81 1sx4 s ALA 377 Ca -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1sx4 s ALA 377 Cb -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1sx4 s ALA 377 CO 0.03 0.41 -0.18 0.08 0.00 0.00 0.00 175.76 176.10 1sx4 s VAL 378 N -0.86 1.60 -0.14 0.00 1.01 -0.17 -2.06 120.40 119.77 1sx4 s VAL 378 Ca 0.08 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1sx4 s VAL 378 Cb -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1sx4 s VAL 378 CO 0.02 0.46 0.07 -0.63 0.00 0.00 0.00 175.10 175.02 1sx4 s ILE 379 N 0.32 4.91 -0.27 2.22 1.01 0.11 -1.56 121.20 127.94 1sx4 s ILE 379 Ca -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1sx4 s ILE 379 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1sx4 s ILE 379 CO 0.05 0.54 0.04 -0.54 0.00 0.00 0.00 174.94 175.03 1sx4 s LYS 380 N -0.34 3.15 -0.04 2.79 1.02 0.57 -1.45 119.74 125.44 1sx4 s LYS 380 Ca 0.09 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1sx4 s LYS 380 Cb -0.12 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1sx4 s LYS 380 CO 0.02 -0.38 1.04 0.08 -0.92 0.00 0.00 175.35 175.19 1sx4 s VAL 381 N 1.48 4.69 0.00 3.17 1.01 -1.20 -0.37 120.40 129.19 1sx4 s VAL 381 Ca 0.03 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 1sx4 s VAL 381 Cb -0.16 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1sx4 s VAL 381 CO 0.01 0.08 0.34 -0.83 0.00 0.00 0.00 175.10 174.69 1sx4 s GLY 382 N 1.10 2.35 -0.06 4.51 0.00 -1.26 -1.42 107.32 112.54 1sx4 s GLY 382 Ca 0.52 -0.39 -0.25 0.00 0.00 0.00 0.00 44.72 44.59 1sx4 s GLY 382 CO 0.24 -0.12 0.57 0.00 0.00 0.00 0.00 173.10 173.79 1sx4 s ALA 383 N -1.20 -1.48 0.06 3.20 0.00 -1.22 -4.79 121.76 116.33 1sx4 s ALA 383 Ca 0.25 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 1sx4 s ALA 383 Cb -0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.75 1sx4 s ALA 383 CO 0.14 -0.33 1.46 0.00 0.00 0.00 0.00 175.76 177.02 1sx4 h ALA 384 N 3.51 0.23 -4.78 0.00 0.00 -1.86 -3.42 119.26 112.93 1sx4 h ALA 384 Ca -0.28 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1sx4 h ALA 384 Cb 1.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1sx4 h ALA 384 CO 0.36 -0.02 -0.12 0.25 0.00 0.00 0.00 179.25 179.72 1sx4 n THR 385 N -4.69 0.00 -0.05 0.00 -2.24 -1.26 -5.05 114.28 101.00 1sx4 n THR 385 Ca -0.05 -0.94 -0.14 0.00 -2.27 0.00 0.00 64.05 60.65 1sx4 n THR 385 Cb 0.25 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 1sx4 n THR 385 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sx4 n GLU 386 N -1.03 0.68 0.04 -0.78 2.13 -1.26 -2.87 120.64 117.55 1sx4 n GLU 386 Ca -0.01 0.20 0.11 0.00 0.66 0.00 0.00 57.16 58.12 1sx4 n GLU 386 Cb 0.27 -1.67 0.56 0.00 0.27 0.00 0.00 31.44 30.86 1sx4 n GLU 386 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1sx4 h VAL 387 N 0.02 0.93 0.10 6.31 -1.51 -1.97 -2.56 116.25 117.57 1sx4 h VAL 387 Ca -0.42 -0.09 -0.23 0.00 -1.23 0.00 0.00 66.70 64.73 1sx4 h VAL 387 Cb 2.05 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 1sx4 h VAL 387 CO 0.05 0.05 -1.14 -0.08 -1.23 0.00 0.00 177.57 175.22 1sx4 h GLU 388 N 0.25 0.22 0.02 5.19 4.81 -1.97 -3.31 114.58 119.79 1sx4 h GLU 388 Ca 0.17 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1sx4 h GLU 388 Cb 0.37 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 1sx4 h GLU 388 CO -0.03 1.18 -0.35 1.98 -0.73 0.00 0.00 179.01 181.06 1sx4 h MET 389 N -0.44 -0.49 -0.55 1.92 4.05 -1.42 -0.42 114.93 117.59 1sx4 h MET 389 Ca -0.24 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.28 1sx4 h MET 389 Cb 1.63 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 32.44 1sx4 h MET 389 CO 0.05 -0.33 -0.50 0.87 0.23 0.00 0.00 176.91 177.24 1sx4 h LYS 390 N -0.51 -0.27 -0.14 0.39 1.57 -1.62 0.37 116.57 116.35 1sx4 h LYS 390 Ca 0.05 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1sx4 h LYS 390 Cb 0.59 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1sx4 h LYS 390 CO -0.27 -0.18 0.03 1.49 -0.57 0.00 0.00 179.45 179.95 1sx4 h GLU 391 N -0.28 0.24 -0.74 3.15 4.57 -1.61 -2.61 114.58 117.29 1sx4 h GLU 391 Ca 0.14 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1sx4 h GLU 391 Cb 0.56 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1sx4 h GLU 391 CO -0.67 0.41 0.44 -0.22 -1.18 0.00 0.00 179.01 177.79 1sx4 h LYS 392 N 0.03 1.01 -0.19 1.92 1.63 -0.79 -1.84 116.57 118.34 1sx4 h LYS 392 Ca 0.04 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1sx4 h LYS 392 Cb 0.28 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1sx4 h LYS 392 CO 0.00 0.72 0.10 -0.22 -3.45 0.00 0.00 179.45 176.60 1sx4 h LYS 393 N 1.02 0.27 -0.41 1.90 3.64 -0.25 -2.19 116.57 120.54 1sx4 h LYS 393 Ca 0.27 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1sx4 h LYS 393 Cb -0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1sx4 h LYS 393 CO -0.05 0.27 0.12 0.00 -2.27 0.00 0.00 179.45 177.53 1sx4 h ALA 394 N 0.98 0.48 0.88 5.00 0.00 -1.33 0.13 119.26 125.40 1sx4 h ALA 394 Ca 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sx4 h ALA 394 Cb 0.09 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sx4 h ALA 394 CO -0.01 -0.27 -0.44 0.00 0.00 0.00 0.00 179.25 178.53 1sx4 h ARG 395 N 0.27 -1.16 -0.78 0.00 3.08 -1.10 -0.10 114.38 114.59 1sx4 h ARG 395 Ca 0.20 0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.50 1sx4 h ARG 395 Cb 0.21 0.26 -0.14 0.00 0.08 0.00 0.00 29.97 30.38 1sx4 h ARG 395 CO -0.22 -0.77 -0.02 0.28 -1.07 0.00 0.00 179.97 178.16 1sx4 h VAL 396 N -1.21 0.29 -0.50 2.04 2.07 -0.96 0.48 116.25 118.46 1sx4 h VAL 396 Ca -0.12 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.47 1sx4 h VAL 396 Cb 0.93 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1sx4 h VAL 396 CO 0.19 0.01 -0.24 -0.33 0.02 0.00 0.00 177.57 177.22 1sx4 h GLU 397 N 0.08 -0.13 -0.66 1.57 4.39 -0.59 0.13 114.58 119.37 1sx4 h GLU 397 Ca 0.42 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.25 1sx4 h GLU 397 Cb 0.75 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.34 1sx4 h GLU 397 CO -0.71 -0.08 0.20 0.22 -1.16 0.00 0.00 179.01 177.48 1sx4 h ASP 398 N -0.13 0.13 0.45 1.42 3.58 0.18 -2.26 116.42 119.80 1sx4 h ASP 398 Ca 0.23 0.11 -0.30 0.00 0.42 0.00 0.00 57.03 57.48 1sx4 h ASP 398 Cb 0.49 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1sx4 h ASP 398 CO -0.58 0.06 -1.61 0.00 -2.88 0.00 0.00 179.24 174.23 1sx4 h ALA 399 N 1.50 0.44 -0.98 -0.78 0.00 -0.59 -2.25 119.26 116.59 1sx4 h ALA 399 Ca 0.35 -1.23 0.31 0.00 0.00 0.00 0.00 54.91 54.34 1sx4 h ALA 399 Cb 0.52 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 1sx4 h ALA 399 CO -0.39 1.30 0.51 1.25 0.00 0.00 0.00 179.25 181.92 1sx4 h LEU 400 N 0.05 0.42 -0.05 0.00 7.12 -0.47 -0.83 115.31 121.55 1sx4 h LEU 400 Ca -0.26 0.19 -0.10 0.00 0.13 0.00 0.00 57.88 57.84 1sx4 h LEU 400 Cb 2.00 0.16 0.01 0.00 -0.53 0.00 0.00 40.66 42.30 1sx4 h LEU 400 CO 0.13 -0.15 -0.34 0.45 -0.13 0.00 0.00 178.44 178.40 1sx4 h HIS 401 N 0.30 0.44 -0.25 1.25 3.86 -1.17 -2.88 115.15 116.69 1sx4 h HIS 401 Ca 0.71 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.71 1sx4 h HIS 401 Cb 1.60 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.99 1sx4 h HIS 401 CO -0.05 0.96 0.13 0.00 0.86 0.00 0.00 177.93 179.83 1sx4 h ALA 402 N 0.39 0.32 0.00 2.45 0.00 -0.70 -2.08 119.26 119.64 1sx4 h ALA 402 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 402 Cb 1.02 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 402 CO 0.07 -0.14 -0.50 1.79 0.00 0.00 0.00 179.25 180.47 1sx4 h THR 403 N 0.29 0.04 -1.66 0.00 1.35 -1.28 0.30 112.91 111.95 1sx4 h THR 403 Ca 0.09 0.00 0.48 0.00 -0.55 0.00 0.00 66.41 66.43 1sx4 h THR 403 Cb 0.09 0.04 -0.07 0.00 -1.73 0.00 0.00 68.15 66.48 1sx4 h THR 403 CO -0.01 0.00 1.23 0.03 -0.25 0.00 0.00 175.52 176.52 1sx4 h ARG 404 N -0.65 0.00 0.15 4.72 2.47 -1.31 0.74 114.38 120.49 1sx4 h ARG 404 Ca 0.02 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.43 1sx4 h ARG 404 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1sx4 h ARG 404 CO -0.35 0.00 -1.58 0.00 0.56 0.00 0.00 179.97 178.60 1sx4 h ALA 405 N 1.10 0.17 -0.69 0.04 0.00 0.09 -3.14 119.26 116.83 1sx4 h ALA 405 Ca 0.79 -1.12 0.15 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 405 Cb 3.24 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 21.40 1sx4 h ALA 405 CO -0.01 0.92 0.10 0.00 0.00 0.00 0.00 179.25 180.27 1sx4 h ALA 406 N 0.03 0.81 -0.34 0.00 0.00 0.17 0.82 119.26 120.75 1sx4 h ALA 406 Ca -0.33 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1sx4 h ALA 406 Cb 1.92 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1sx4 h ALA 406 CO 0.11 -0.36 -0.30 0.28 0.00 0.00 0.00 179.25 178.98 1sx4 h VAL 407 N 0.21 1.28 0.00 0.00 2.07 -1.28 0.16 116.25 118.68 1sx4 h VAL 407 Ca 0.38 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1sx4 h VAL 407 Cb 0.63 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1sx4 h VAL 407 CO -0.52 0.47 -0.49 1.05 0.02 0.00 0.00 177.57 178.11 1sx4 h GLU 408 N 0.62 0.00 0.00 1.57 4.11 -1.44 -3.43 114.58 116.02 1sx4 h GLU 408 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1sx4 h GLU 408 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1sx4 h GLU 408 CO 0.07 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.24 1sx4 n GLU 409 N -2.70 1.06 0.00 1.06 2.13 0.26 -5.08 120.64 117.36 1sx4 n GLU 409 Ca 0.02 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1sx4 n GLU 409 Cb 0.51 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.78 1sx4 n GLU 409 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sx4 n GLY 410 N 0.18 -2.29 3.11 8.31 0.00 0.53 -4.44 105.19 110.60 1sx4 n GLY 410 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1sx4 n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sx4 s VAL 411 N -0.26 0.62 0.28 1.61 -7.23 -0.57 0.14 120.40 114.99 1sx4 s VAL 411 Ca 0.00 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1sx4 s VAL 411 Cb 0.00 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1sx4 s VAL 411 CO 0.00 -0.59 0.19 0.68 -0.31 0.00 0.00 175.10 175.07 1sx4 s VAL 412 N -2.34 0.11 -0.10 1.32 -7.23 -0.66 -2.58 120.40 108.93 1sx4 s VAL 412 Ca -0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1sx4 s VAL 412 Cb -0.03 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1sx4 s VAL 412 CO -0.02 0.00 1.36 0.00 -0.31 0.00 0.00 175.10 176.13 1sx4 s ALA 413 N -3.71 3.61 1.05 1.32 0.00 -1.26 -1.67 121.76 121.10 1sx4 s ALA 413 Ca 0.38 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 1sx4 s ALA 413 Cb 0.05 -3.62 0.09 0.00 0.00 0.00 0.00 23.12 19.64 1sx4 s ALA 413 CO 0.20 -1.11 0.43 0.41 0.00 0.00 0.00 175.76 175.69 1sx4 n GLY 414 N 3.68 -1.95 2.20 0.00 0.00 -0.82 -0.94 105.19 107.36 1sx4 n GLY 414 Ca 0.14 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 1sx4 n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 415 N 0.86 0.79 2.40 -0.02 0.00 -1.26 -1.14 105.19 106.82 1sx4 n GLY 415 Ca 0.06 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 1sx4 n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 416 N -1.89 0.27 0.17 -0.02 0.00 -1.26 -4.07 105.19 98.40 1sx4 n GLY 416 Ca -0.08 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1sx4 n GLY 416 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1sx4 h VAL 417 N 0.00 1.33 -0.33 1.61 3.04 -0.95 -2.77 116.25 118.19 1sx4 h VAL 417 Ca -0.41 -2.27 0.07 0.00 -1.01 0.00 0.00 66.70 63.08 1sx4 h VAL 417 Cb 1.27 2.55 -0.08 0.00 -2.01 0.00 0.00 31.29 33.02 1sx4 h VAL 417 CO 0.51 0.69 -0.33 0.00 -1.01 0.00 0.00 177.57 177.43 1sx4 h ALA 418 N 0.33 -0.26 -0.82 3.17 0.00 -1.26 0.11 119.26 120.54 1sx4 h ALA 418 Ca -0.13 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 418 Cb 1.65 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 1sx4 h ALA 418 CO 0.19 -0.76 0.41 -0.07 0.00 0.00 0.00 179.25 179.02 1sx4 h LEU 419 N -0.30 1.05 -1.43 0.00 4.07 -1.84 -0.37 115.31 116.50 1sx4 h LEU 419 Ca 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1sx4 h LEU 419 Cb 0.54 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1sx4 h LEU 419 CO -0.49 0.88 -0.20 -0.29 -1.08 0.00 0.00 178.44 177.26 1sx4 h ILE 420 N 1.15 1.18 -0.03 1.22 2.10 -0.87 -1.84 117.51 120.43 1sx4 h ILE 420 Ca 0.28 -0.85 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 1sx4 h ILE 420 Cb 0.09 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1sx4 h ILE 420 CO -0.04 0.25 -0.06 0.03 -1.08 0.00 0.00 178.15 177.26 1sx4 h ARG 421 N 0.11 0.09 -0.12 2.19 2.47 0.11 -2.99 114.38 116.25 1sx4 h ARG 421 Ca 0.02 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1sx4 h ARG 421 Cb 0.43 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1sx4 h ARG 421 CO 0.03 0.63 0.04 -0.39 0.56 0.00 0.00 179.97 180.84 1sx4 h VAL 422 N -0.44 1.06 -0.10 2.04 -1.51 -0.91 0.24 116.25 116.62 1sx4 h VAL 422 Ca 0.00 -0.19 0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1sx4 h VAL 422 Cb 0.63 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1sx4 h VAL 422 CO 0.01 0.07 0.07 0.00 -1.23 0.00 0.00 177.57 176.49 1sx4 h ALA 423 N 1.88 1.99 0.00 5.19 0.00 -1.31 -1.59 119.26 125.43 1sx4 h ALA 423 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 423 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sx4 h ALA 423 CO -0.00 -0.01 -0.58 0.66 0.00 0.00 0.00 179.25 179.32 1sx4 h SER 424 N 0.09 0.00 0.41 0.00 4.64 -0.41 -3.15 113.55 115.12 1sx4 h SER 424 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1sx4 h SER 424 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1sx4 h SER 424 CO -0.01 0.23 -0.19 0.11 -0.87 0.00 0.00 176.83 176.10 1sx4 h LYS 425 N 0.00 0.00 -0.53 4.77 1.57 -0.43 -2.95 116.57 118.99 1sx4 h LYS 425 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1sx4 h LYS 425 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1sx4 h LYS 425 CO 0.03 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 1sx4 n LEU 426 N -3.77 3.59 0.27 2.94 4.77 -0.86 -4.44 117.00 119.49 1sx4 n LEU 426 Ca -0.02 -1.77 0.07 0.00 -0.03 0.00 0.00 56.01 54.26 1sx4 n LEU 426 Cb 0.29 -0.35 0.37 0.00 -2.33 0.00 0.00 43.42 41.40 1sx4 n LEU 426 CO 0.33 0.84 0.96 0.00 -1.33 0.00 0.00 177.39 178.20 1sx4 h ALA 427 N 4.04 1.51 -0.07 -1.18 0.00 -1.50 0.15 119.26 122.22 1sx4 h ALA 427 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 427 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 427 CO 0.00 -0.51 0.00 -0.25 0.00 0.00 0.00 179.25 178.49 1sx4 n ASP 428 N -2.43 2.16 -4.77 0.00 8.00 -1.26 -5.01 116.55 113.23 1sx4 n ASP 428 Ca -0.01 -1.58 -0.41 0.00 0.71 0.00 0.00 54.79 53.50 1sx4 n ASP 428 Cb 0.59 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sx4 s LEU 429 N -1.01 4.33 0.06 0.64 2.96 0.53 -5.03 118.68 121.17 1sx4 s LEU 429 Ca 0.16 2.99 -0.00 0.00 -0.22 0.00 0.00 54.13 57.05 1sx4 s LEU 429 Cb 0.11 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1sx4 s LEU 429 CO 0.15 -0.86 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.15 1sx4 s ARG 430 N -1.53 0.65 0.25 1.98 1.81 -1.26 -5.01 118.95 115.84 1sx4 s ARG 430 Ca 0.56 -1.22 0.02 0.00 -1.72 0.00 0.00 55.73 53.37 1sx4 s ARG 430 Cb -0.46 0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.16 1sx4 s ARG 430 CO 0.57 -0.08 0.17 0.41 -0.68 0.00 0.00 175.30 175.69 1sx4 n GLY 431 N 0.14 3.00 0.16 -3.53 0.00 -1.26 -5.00 105.19 98.69 1sx4 n GLY 431 Ca -0.14 -2.23 0.10 0.00 0.00 0.00 0.00 46.02 43.75 1sx4 n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sx4 n GLN 432 N -1.04 0.13 -3.59 1.61 6.02 -1.26 -4.84 117.38 114.40 1sx4 n GLN 432 Ca -0.02 0.63 -0.07 0.00 -0.01 0.00 0.00 57.00 57.53 1sx4 n GLN 432 Cb 0.29 -1.96 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 1sx4 n GLN 432 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sx4 s ASN 433 N -3.94 -0.32 0.30 1.08 4.22 -1.26 -5.04 114.94 109.98 1sx4 s ASN 433 Ca -0.02 -0.16 0.03 0.00 -2.14 0.00 0.00 52.86 50.57 1sx4 s ASN 433 Cb 0.06 0.45 0.48 0.00 1.28 0.00 0.00 41.25 43.52 1sx4 s ASN 433 CO 0.18 -0.78 1.77 -0.08 -2.04 0.00 0.00 177.10 176.16 1sx4 h GLU 434 N 2.00 0.48 -0.22 3.55 4.57 -2.00 -1.00 114.58 121.96 1sx4 h GLU 434 Ca -0.24 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 57.81 1sx4 h GLU 434 Cb 1.25 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1sx4 h GLU 434 CO 0.29 0.64 0.06 -0.44 -1.18 0.00 0.00 179.01 178.39 1sx4 h ASP 435 N 0.44 0.05 -0.32 1.04 3.32 -1.97 -0.28 116.42 118.71 1sx4 h ASP 435 Ca 0.08 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.24 1sx4 h ASP 435 Cb 0.56 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1sx4 h ASP 435 CO 0.04 0.06 0.23 1.56 -1.72 0.00 0.00 179.24 179.41 1sx4 h GLN 436 N 0.15 0.00 -0.29 3.56 4.20 -1.36 0.10 115.11 121.48 1sx4 h GLN 436 Ca 0.10 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1sx4 h GLN 436 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1sx4 h GLN 436 CO -0.12 0.00 -0.23 -0.91 -0.67 0.00 0.00 178.83 176.90 1sx4 h ASN 437 N 0.00 0.71 -0.58 1.46 2.35 -0.71 0.34 115.58 119.16 1sx4 h ASN 437 Ca 0.15 -0.45 0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1sx4 h ASN 437 Cb 0.62 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1sx4 h ASN 437 CO -0.00 1.01 0.38 0.58 -1.65 0.00 0.00 177.43 177.75 1sx4 h VAL 438 N 0.41 1.15 -0.16 2.81 2.07 0.02 -1.30 116.25 121.25 1sx4 h VAL 438 Ca 0.05 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1sx4 h VAL 438 Cb 0.79 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1sx4 h VAL 438 CO 0.06 0.14 -0.02 1.23 0.02 0.00 0.00 177.57 179.00 1sx4 h GLY 439 N 0.78 0.13 0.11 2.17 0.00 -0.26 1.28 103.07 107.30 1sx4 h GLY 439 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1sx4 h GLY 439 CO -0.05 -0.05 -0.25 -2.22 0.00 0.00 0.00 176.54 173.98 1sx4 h ILE 440 N 0.02 0.37 -0.06 2.60 2.04 -0.22 -2.58 117.51 119.68 1sx4 h ILE 440 Ca 0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1sx4 h ILE 440 Cb 0.11 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1sx4 h ILE 440 CO -0.15 0.00 -0.15 0.50 0.00 0.00 0.00 178.15 178.35 1sx4 h LYS 441 N -0.25 0.10 -0.44 2.37 1.63 0.20 0.29 116.57 120.47 1sx4 h LYS 441 Ca 0.14 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1sx4 h LYS 441 Cb 0.47 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.00 1sx4 h LYS 441 CO -0.40 0.25 -0.07 0.28 -3.45 0.00 0.00 179.45 176.06 1sx4 h VAL 442 N 0.09 0.59 -0.01 2.00 2.07 0.19 -2.33 116.25 118.86 1sx4 h VAL 442 Ca 0.02 -0.01 -0.26 0.00 0.82 0.00 0.00 66.70 67.27 1sx4 h VAL 442 Cb 0.33 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1sx4 h VAL 442 CO 0.02 0.01 -1.01 0.00 0.02 0.00 0.00 177.57 176.61 1sx4 h ALA 443 N 1.42 0.19 -0.63 1.67 0.00 -0.29 -2.61 119.26 119.01 1sx4 h ALA 443 Ca 0.22 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1sx4 h ALA 443 Cb 0.33 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1sx4 h ALA 443 CO -0.42 0.71 0.26 -0.07 0.00 0.00 0.00 179.25 179.73 1sx4 h LEU 444 N 0.38 0.30 -0.14 0.00 3.38 -1.29 0.18 115.31 118.12 1sx4 h LEU 444 Ca -0.11 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1sx4 h LEU 444 Cb 1.65 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1sx4 h LEU 444 CO 0.19 0.17 0.04 -0.09 0.09 0.00 0.00 178.44 178.84 1sx4 h ARG 445 N 0.46 0.10 -0.96 1.13 2.43 -1.25 -1.35 114.38 114.94 1sx4 h ARG 445 Ca 0.32 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.53 1sx4 h ARG 445 Cb 0.37 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1sx4 h ARG 445 CO -0.29 0.06 0.63 0.00 -1.51 0.00 0.00 179.97 178.86 1sx4 h ALA 446 N 1.09 1.40 0.00 2.80 0.00 -1.03 -0.69 119.26 122.84 1sx4 h ALA 446 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 446 Cb 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1sx4 h ALA 446 CO -0.07 0.49 0.51 0.52 0.00 0.00 0.00 179.25 180.70 1sx4 h MET 447 N 1.18 0.00 -0.01 0.00 2.86 0.54 0.51 114.93 120.01 1sx4 h MET 447 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1sx4 h MET 447 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1sx4 h MET 447 CO -0.13 0.00 -0.08 0.39 1.06 0.00 0.00 176.91 178.15 1sx4 n GLU 448 N -1.95 1.20 0.30 1.72 1.02 -0.26 -4.04 120.64 118.63 1sx4 n GLU 448 Ca -0.00 -0.58 -0.16 0.00 -0.02 0.00 0.00 57.16 56.39 1sx4 n GLU 448 Cb 0.53 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 1sx4 n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 449 N 4.01 -0.75 -0.64 0.62 0.00 -0.12 -1.09 119.26 121.29 1sx4 h ALA 449 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 449 Cb 0.40 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 449 CO 0.00 -0.86 0.41 -1.35 0.00 0.00 0.00 179.25 177.46 1sx4 h PRO 450 N -0.89 0.81 -0.51 0.00 0.11 -1.80 1.01 132.00 130.73 1sx4 h PRO 450 Ca -0.08 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.02 1sx4 h PRO 450 Cb 0.63 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 1sx4 h PRO 450 CO 0.13 0.54 0.28 1.25 -0.21 0.00 0.00 178.00 179.98 1sx4 h LEU 451 N 0.83 0.42 -1.59 2.35 6.46 -1.70 -0.61 115.31 121.47 1sx4 h LEU 451 Ca 0.24 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1sx4 h LEU 451 Cb -0.06 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1sx4 h LEU 451 CO -0.07 0.29 -0.18 0.03 -0.62 0.00 0.00 178.44 177.89 1sx4 h ARG 452 N 0.54 0.00 0.05 1.25 3.08 0.23 -1.36 114.38 118.17 1sx4 h ARG 452 Ca 0.22 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.98 1sx4 h ARG 452 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1sx4 h ARG 452 CO -0.14 0.18 -1.54 1.96 -1.07 0.00 0.00 179.97 179.36 1sx4 h GLN 453 N 0.00 0.10 -0.79 0.04 1.08 -0.45 -2.95 115.11 112.14 1sx4 h GLN 453 Ca -0.00 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1sx4 h GLN 453 Cb 0.50 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 1sx4 h GLN 453 CO 0.02 0.85 0.49 0.82 -0.95 0.00 0.00 178.83 180.06 1sx4 h ILE 454 N 0.03 1.08 -0.07 2.54 2.04 -0.07 -1.09 117.51 121.97 1sx4 h ILE 454 Ca -0.23 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 1sx4 h ILE 454 Cb 1.97 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1sx4 h ILE 454 CO 0.11 0.17 -0.61 0.58 0.00 0.00 0.00 178.15 178.40 1sx4 h VAL 455 N 0.94 1.39 -0.07 1.67 2.07 -1.36 -2.95 116.25 117.94 1sx4 h VAL 455 Ca 0.33 -2.00 -0.14 0.00 0.82 0.00 0.00 66.70 65.71 1sx4 h VAL 455 Cb 0.07 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sx4 h VAL 455 CO -0.13 0.59 -0.60 0.25 0.02 0.00 0.00 177.57 177.70 1sx4 h LEU 456 N 0.19 0.27 -0.89 2.57 5.85 -1.21 -2.56 115.31 119.54 1sx4 h LEU 456 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sx4 h LEU 456 Cb 1.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1sx4 h LEU 456 CO 0.10 0.81 0.00 0.78 -0.34 0.00 0.00 178.44 179.78 1sx4 h ASN 457 N 0.18 0.00 -0.11 1.25 -0.26 -1.05 0.69 115.58 116.29 1sx4 h ASN 457 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1sx4 h ASN 457 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1sx4 h ASN 457 CO 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.46 1sx4 n GLY 459 N 1.30 -0.35 2.74 0.00 0.00 0.24 -5.02 105.19 104.10 1sx4 n GLY 459 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1sx4 n GLY 459 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sx4 n GLU 460 N -2.95 0.93 -3.15 1.61 1.02 -1.08 -5.04 120.64 111.97 1sx4 n GLU 460 Ca -0.24 -2.52 -0.43 0.00 -0.02 0.00 0.00 57.16 53.95 1sx4 n GLU 460 Cb 0.69 0.32 -0.07 0.00 -0.02 0.00 0.00 31.44 32.36 1sx4 n GLU 460 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sx4 s GLU 461 N -3.60 3.18 0.51 3.49 2.02 -1.26 -4.03 118.70 119.01 1sx4 s GLU 461 Ca 0.20 -0.67 0.32 0.00 0.02 0.00 0.00 54.97 54.84 1sx4 s GLU 461 Cb -0.02 -4.03 1.44 0.00 0.10 0.00 0.00 34.13 31.63 1sx4 s GLU 461 CO 0.13 -1.10 1.80 -1.35 0.02 0.00 0.00 175.26 174.75 1sx4 h PRO 462 N 8.93 0.09 0.00 0.39 0.11 -1.85 -1.43 132.00 138.24 1sx4 h PRO 462 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sx4 h PRO 462 Cb 1.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sx4 h PRO 462 CO 0.92 0.06 -0.82 -1.13 -0.21 0.00 0.00 178.00 176.82 1sx4 n SER 463 N -4.30 0.63 -0.06 -2.05 3.41 -1.26 -1.14 113.62 108.85 1sx4 n SER 463 Ca 0.25 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1sx4 n SER 463 Cb 1.14 0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 65.53 1sx4 n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sx4 h VAL 464 N 0.00 1.70 0.91 -3.33 2.07 -1.70 -2.40 116.25 113.50 1sx4 h VAL 464 Ca 0.00 -2.36 -0.04 0.00 0.82 0.00 0.00 66.70 65.11 1sx4 h VAL 464 Cb 0.64 3.29 0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1sx4 h VAL 464 CO 0.00 0.60 -0.44 0.58 0.02 0.00 0.00 177.57 178.33 1sx4 h VAL 465 N -0.92 0.10 -0.85 2.57 2.07 -1.46 -1.93 116.25 115.82 1sx4 h VAL 465 Ca -0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.67 1sx4 h VAL 465 Cb 1.11 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 1sx4 h VAL 465 CO 0.01 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.93 1sx4 h ALA 466 N -1.13 1.30 -0.26 1.67 0.00 -1.28 -1.41 119.26 118.14 1sx4 h ALA 466 Ca -0.12 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 466 Cb 0.94 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1sx4 h ALA 466 CO 0.20 -0.32 0.05 -0.91 0.00 0.00 0.00 179.25 178.27 1sx4 h ASN 467 N 0.39 0.00 0.13 0.00 4.21 -1.16 0.30 115.58 119.46 1sx4 h ASN 467 Ca 0.51 0.04 -0.11 0.00 1.21 0.00 0.00 56.30 57.95 1sx4 h ASN 467 Cb 0.93 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 1sx4 h ASN 467 CO -0.51 0.04 -0.39 0.71 -1.29 0.00 0.00 177.43 175.99 1sx4 h THR 468 N 0.14 1.30 -0.62 2.81 1.35 -0.54 -0.33 112.91 117.04 1sx4 h THR 468 Ca 0.12 -1.49 -0.08 0.00 -0.55 0.00 0.00 66.41 64.40 1sx4 h THR 468 Cb 0.12 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1sx4 h THR 468 CO -0.16 0.45 0.06 0.58 -0.25 0.00 0.00 175.52 176.20 1sx4 h VAL 469 N 0.29 1.26 -0.64 6.82 2.07 -1.10 -2.45 116.25 122.49 1sx4 h VAL 469 Ca 0.03 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1sx4 h VAL 469 Cb 0.81 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1sx4 h VAL 469 CO 0.06 0.39 0.11 0.11 0.02 0.00 0.00 177.57 178.27 1sx4 h LYS 470 N 0.96 1.05 0.00 1.57 1.57 0.20 -2.49 116.57 119.44 1sx4 h LYS 470 Ca 0.18 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sx4 h LYS 470 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1sx4 h LYS 470 CO 0.02 0.97 0.02 0.41 -0.57 0.00 0.00 179.45 180.30 1sx4 n GLY 471 N -0.58 -0.34 0.00 3.86 0.00 -0.19 -4.70 105.19 103.25 1sx4 n GLY 471 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sx4 n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 472 N -1.33 3.14 3.13 -0.02 0.00 -0.94 -5.08 105.19 104.10 1sx4 n GLY 472 Ca 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1sx4 n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 473 N -0.36 0.17 0.57 1.61 -0.00 -1.26 -5.00 116.67 112.40 1sx4 s ASP 473 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 52.55 52.01 1sx4 s ASP 473 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 42.92 43.16 1sx4 s ASP 473 CO 0.00 -0.53 0.00 0.61 -0.00 0.00 0.00 175.17 175.25 1sx4 n GLY 474 N 0.69 2.51 1.87 0.21 0.00 -1.26 -0.85 105.19 108.36 1sx4 n GLY 474 Ca -0.19 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1sx4 n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sx4 n ASN 475 N 4.54 4.89 -4.73 1.61 5.03 -1.26 -4.93 115.26 120.41 1sx4 n ASN 475 Ca 0.00 -3.17 -0.42 0.00 0.87 0.00 0.00 54.58 51.86 1sx4 n ASN 475 Cb 0.00 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 38.01 1sx4 n ASN 475 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1sx4 s TYR 476 N -2.95 3.30 0.19 3.10 5.04 -0.03 -0.83 117.35 125.16 1sx4 s TYR 476 Ca 0.54 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 56.28 1sx4 s TYR 476 Cb 0.43 -3.58 0.03 0.00 0.35 0.00 0.00 41.96 39.19 1sx4 s TYR 476 CO 0.13 -1.84 0.43 0.41 -1.34 0.00 0.00 175.55 173.34 1sx4 n GLY 477 N 2.71 1.38 3.52 8.97 0.00 0.55 -4.78 105.19 117.54 1sx4 n GLY 477 Ca 0.07 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1sx4 n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sx4 s TYR 478 N -5.21 3.11 -0.60 1.61 5.04 -1.26 -1.13 117.35 118.90 1sx4 s TYR 478 Ca 0.09 -0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.26 1sx4 s TYR 478 Cb -0.02 -2.09 0.08 0.00 0.35 0.00 0.00 41.96 40.28 1sx4 s TYR 478 CO 0.06 -0.10 0.81 1.21 -1.34 0.00 0.00 175.55 176.18 1sx4 s ASN 479 N 0.80 6.20 0.25 4.32 3.84 0.11 -4.89 114.94 125.57 1sx4 s ASN 479 Ca 0.02 -1.12 -0.06 0.00 0.21 0.00 0.00 52.86 51.90 1sx4 s ASN 479 Cb -0.14 -2.35 0.27 0.00 -0.55 0.00 0.00 41.25 38.48 1sx4 s ASN 479 CO 0.02 -1.21 1.91 0.00 -2.79 0.00 0.00 177.10 175.03 1sx4 h ALA 480 N 9.31 1.25 -0.71 1.71 0.00 -1.95 0.17 119.26 129.03 1sx4 h ALA 480 Ca -0.29 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1sx4 h ALA 480 Cb 1.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 480 CO 1.11 0.57 0.21 0.00 0.00 0.00 0.00 179.25 181.14 1sx4 h ALA 481 N 1.37 0.94 -0.57 0.00 0.00 -1.95 -2.86 119.26 116.19 1sx4 h ALA 481 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 481 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1sx4 h ALA 481 CO -0.10 0.63 0.00 0.25 0.00 0.00 0.00 179.25 180.03 1sx4 n THR 482 N -4.27 0.96 -3.71 0.00 -2.24 -0.86 -4.91 114.28 99.23 1sx4 n THR 482 Ca 0.05 -0.98 -0.28 0.00 -2.27 0.00 0.00 64.05 60.58 1sx4 n THR 482 Cb 0.23 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1sx4 n THR 482 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sx4 n GLU 483 N 1.22 -0.85 -4.12 -0.78 0.28 0.55 -4.97 120.64 111.96 1sx4 n GLU 483 Ca 0.19 0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 57.16 1sx4 n GLU 483 Cb 0.55 -3.07 -0.11 0.00 1.43 0.00 0.00 31.44 30.24 1sx4 n GLU 483 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1sx4 s GLU 484 N -5.68 0.69 0.53 3.44 -1.05 -0.89 -4.94 118.70 110.81 1sx4 s GLU 484 Ca 0.39 -1.05 -0.14 0.00 -0.15 0.00 0.00 54.97 54.02 1sx4 s GLU 484 Cb -0.23 -0.29 -0.07 0.00 -0.44 0.00 0.00 34.13 33.11 1sx4 s GLU 484 CO 0.72 0.03 0.97 0.71 0.95 0.00 0.00 175.26 178.64 1sx4 s TYR 485 N -2.43 3.50 -2.69 4.83 1.51 -1.26 0.09 117.35 120.89 1sx4 s TYR 485 Ca 0.01 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.43 1sx4 s TYR 485 Cb -0.03 -2.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 1sx4 s TYR 485 CO -0.02 -0.41 0.00 0.41 -1.11 0.00 0.00 175.55 174.42 1sx4 n GLY 486 N -1.85 -1.04 3.66 0.71 0.00 -0.28 -4.87 105.19 101.52 1sx4 n GLY 486 Ca 0.06 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1sx4 n GLY 486 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sx4 s ASN 487 N -4.00 7.09 0.37 1.61 3.84 -1.26 -0.33 114.94 122.26 1sx4 s ASN 487 Ca 0.00 1.36 0.16 0.00 0.21 0.00 0.00 52.86 54.58 1sx4 s ASN 487 Cb 0.00 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.88 1sx4 s ASN 487 CO 0.00 -0.68 1.79 0.24 -2.79 0.00 0.00 177.10 175.66 1sx4 h MET 488 N 7.49 0.00 -0.35 0.43 2.86 -1.30 -1.99 114.93 122.07 1sx4 h MET 488 Ca -0.19 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 1sx4 h MET 488 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1sx4 h MET 488 CO 0.98 0.39 -0.14 0.82 1.06 0.00 0.00 176.91 180.03 1sx4 h ILE 489 N 0.00 1.28 -0.02 -1.22 1.08 -1.83 -2.10 117.51 114.70 1sx4 h ILE 489 Ca -0.00 -1.24 -0.06 0.00 -0.39 0.00 0.00 64.86 63.17 1sx4 h ILE 489 Cb 0.77 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1sx4 h ILE 489 CO 0.05 0.40 -0.28 0.44 -0.69 0.00 0.00 178.15 178.07 1sx4 h ASP 490 N 0.49 0.03 0.78 1.72 3.32 -1.89 -0.89 116.42 119.97 1sx4 h ASP 490 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1sx4 h ASP 490 Cb 0.66 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1sx4 h ASP 490 CO 0.04 0.32 -0.06 0.23 -1.72 0.00 0.00 179.24 178.05 1sx4 n MET 491 N -4.19 0.18 -2.28 3.56 2.81 -0.77 -4.91 117.12 111.51 1sx4 n MET 491 Ca -0.02 -0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.77 1sx4 n MET 491 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1sx4 n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sx4 n GLY 492 N 1.42 0.09 3.25 3.03 0.00 -0.34 -4.95 105.19 107.70 1sx4 n GLY 492 Ca 0.09 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1sx4 n GLY 492 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sx4 n ILE 493 N -3.92 4.32 -3.83 -0.61 5.41 -0.83 -4.84 119.36 115.06 1sx4 n ILE 493 Ca -0.08 -5.39 -0.35 0.00 1.00 0.00 0.00 62.75 57.93 1sx4 n ILE 493 Cb 0.56 -2.49 -0.10 0.00 -0.71 0.00 0.00 39.64 36.91 1sx4 n ILE 493 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sx4 s LEU 494 N -1.48 3.93 0.01 1.39 1.43 -1.26 -1.94 118.68 120.75 1sx4 s LEU 494 Ca 0.30 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.42 1sx4 s LEU 494 Cb -0.08 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1sx4 s LEU 494 CO -0.07 0.12 0.27 -1.81 0.23 0.00 0.00 176.35 175.09 1sx4 s ASP 495 N 0.72 6.49 0.06 2.29 1.01 -0.67 -4.65 116.67 121.92 1sx4 s ASP 495 Ca 0.05 0.55 -0.31 0.00 0.71 0.00 0.00 52.55 53.56 1sx4 s ASP 495 Cb -0.13 -2.09 -0.06 0.00 1.01 0.00 0.00 42.92 41.66 1sx4 s ASP 495 CO 0.02 0.25 1.21 -2.84 0.21 0.00 0.00 175.17 174.01 1sx4 s PRO 496 N -1.78 4.43 0.14 8.23 0.02 -1.26 -1.65 135.00 143.13 1sx4 s PRO 496 Ca 0.28 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 62.83 1sx4 s PRO 496 Cb -0.13 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1sx4 s PRO 496 CO 0.16 -0.27 1.61 1.15 -0.33 0.00 0.00 177.00 179.32 1sx4 h THR 497 N 4.50 0.27 -1.36 0.99 2.02 -0.54 0.19 112.91 118.98 1sx4 h THR 497 Ca -0.42 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.16 1sx4 h THR 497 Cb 1.21 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1sx4 h THR 497 CO 0.81 0.00 1.11 0.50 0.37 0.00 0.00 175.52 178.31 1sx4 h LYS 498 N -0.35 0.00 0.06 6.66 3.64 -1.78 0.20 116.57 125.00 1sx4 h LYS 498 Ca 0.12 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1sx4 h LYS 498 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1sx4 h LYS 498 CO -0.41 0.00 -0.64 -0.39 -2.27 0.00 0.00 179.45 175.74 1sx4 h VAL 499 N 0.00 1.47 -0.93 2.00 -1.51 -0.99 -2.66 116.25 113.63 1sx4 h VAL 499 Ca 0.65 -2.40 0.18 0.00 -1.23 0.00 0.00 66.70 63.90 1sx4 h VAL 499 Cb 2.86 3.08 -0.08 0.00 -2.13 0.00 0.00 31.29 35.02 1sx4 h VAL 499 CO -0.01 0.62 0.60 0.74 -1.23 0.00 0.00 177.57 178.29 1sx4 h THR 500 N -0.69 0.73 0.08 7.19 2.02 -0.74 -0.83 112.91 120.66 1sx4 h THR 500 Ca -0.14 -0.20 -0.28 0.00 0.77 0.00 0.00 66.41 66.57 1sx4 h THR 500 Cb 1.37 0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1sx4 h THR 500 CO 0.03 0.10 -1.16 -0.09 0.37 0.00 0.00 175.52 174.78 1sx4 h ARG 501 N 0.57 0.55 -0.34 6.66 1.12 -0.76 -2.83 114.38 119.35 1sx4 h ARG 501 Ca 0.49 -0.70 -0.15 0.00 -1.11 0.00 0.00 59.98 58.51 1sx4 h ARG 501 Cb 0.99 0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 31.17 1sx4 h ARG 501 CO -0.23 1.30 -0.37 0.77 -3.11 0.00 0.00 179.97 178.32 1sx4 h SER 502 N 0.26 0.92 -0.70 -3.80 0.02 -0.83 -1.34 113.55 108.08 1sx4 h SER 502 Ca -0.15 -0.48 0.14 0.00 -0.84 0.00 0.00 61.79 60.46 1sx4 h SER 502 Cb 1.83 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 64.01 1sx4 h SER 502 CO 0.21 1.21 0.19 0.00 -1.14 0.00 0.00 176.83 177.31 1sx4 h ALA 503 N 0.74 0.91 -0.29 3.77 0.00 -1.30 0.14 119.26 123.22 1sx4 h ALA 503 Ca 0.05 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 503 Cb 0.96 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1sx4 h ALA 503 CO 0.09 -0.29 -0.30 1.25 0.00 0.00 0.00 179.25 179.99 1sx4 h LEU 504 N 0.31 0.77 0.11 0.00 6.46 -1.12 -2.81 115.31 119.03 1sx4 h LEU 504 Ca 0.38 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1sx4 h LEU 504 Cb 0.61 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1sx4 h LEU 504 CO -0.45 1.09 -0.05 1.56 -0.62 0.00 0.00 178.44 179.97 1sx4 h GLN 505 N 0.46 -0.14 -0.36 1.25 4.20 -0.63 0.13 115.11 120.02 1sx4 h GLN 505 Ca 0.04 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1sx4 h GLN 505 Cb 0.88 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1sx4 h GLN 505 CO 0.07 0.03 -0.36 1.88 -0.67 0.00 0.00 178.83 179.79 1sx4 h TYR 506 N -0.29 0.99 0.38 2.96 0.05 -0.84 -0.46 116.97 119.76 1sx4 h TYR 506 Ca -0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 1sx4 h TYR 506 Cb 0.24 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1sx4 h TYR 506 CO -0.03 1.06 -0.18 0.00 -1.05 0.00 0.00 178.16 177.97 1sx4 h ALA 507 N 0.90 -0.51 -0.74 3.88 0.00 -1.47 -2.74 119.26 118.57 1sx4 h ALA 507 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 507 Cb 0.92 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1sx4 h ALA 507 CO 0.08 -0.68 0.44 0.00 0.00 0.00 0.00 179.25 179.09 1sx4 h ALA 508 N -0.19 1.00 -0.23 0.00 0.00 -0.88 -0.68 119.26 118.28 1sx4 h ALA 508 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 508 Cb 0.50 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1sx4 h ALA 508 CO 0.09 0.15 -0.12 1.03 0.00 0.00 0.00 179.25 180.39 1sx4 h SER 509 N 0.80 -0.39 0.08 0.00 0.87 -0.83 0.53 113.55 114.61 1sx4 h SER 509 Ca 0.33 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1sx4 h SER 509 Cb 0.17 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1sx4 h SER 509 CO -0.17 -0.15 -0.04 1.62 -0.53 0.00 0.00 176.83 177.56 1sx4 h VAL 510 N -0.09 0.95 -0.96 2.23 3.04 -1.46 -3.29 116.25 116.66 1sx4 h VAL 510 Ca 0.12 -1.44 0.30 0.00 -1.01 0.00 0.00 66.70 64.67 1sx4 h VAL 510 Cb 0.28 1.70 -0.17 0.00 -2.01 0.00 0.00 31.29 31.09 1sx4 h VAL 510 CO -0.29 0.28 0.21 0.00 -1.01 0.00 0.00 177.57 176.77 1sx4 h ALA 511 N -0.34 1.44 -0.17 3.17 0.00 -0.98 0.24 119.26 122.62 1sx4 h ALA 511 Ca -0.01 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1sx4 h ALA 511 Cb 0.55 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1sx4 h ALA 511 CO 0.02 -0.63 -0.32 0.78 0.00 0.00 0.00 179.25 179.10 1sx4 h GLY 512 N 0.07 -0.42 0.93 0.00 0.00 -0.05 -1.88 103.07 101.72 1sx4 h GLY 512 Ca 0.65 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 48.37 1sx4 h GLY 512 CO -0.81 -0.22 -0.01 1.41 0.00 0.00 0.00 176.54 176.92 1sx4 h LEU 513 N -0.38 -0.02 -1.97 3.11 3.38 -0.69 -2.36 115.31 116.38 1sx4 h LEU 513 Ca 0.11 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1sx4 h LEU 513 Cb 0.54 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1sx4 h LEU 513 CO -0.38 0.06 0.67 0.24 0.09 0.00 0.00 178.44 179.12 1sx4 h MET 514 N -0.10 0.00 -0.14 1.13 2.86 -0.63 0.35 114.93 118.39 1sx4 h MET 514 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sx4 h MET 514 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1sx4 h MET 514 CO 0.00 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.41 1sx4 n ILE 515 N -4.15 0.17 -0.76 -1.22 -5.35 -0.75 -2.74 119.36 104.58 1sx4 n ILE 515 Ca 0.18 -0.37 0.08 0.00 -0.27 0.00 0.00 62.75 62.38 1sx4 n ILE 515 Cb 0.98 0.51 0.32 0.00 -1.74 0.00 0.00 39.64 39.72 1sx4 n ILE 515 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1sx4 n THR 516 N 0.44 2.11 -1.97 7.28 -2.24 0.12 -4.83 114.28 115.20 1sx4 n THR 516 Ca 0.17 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 1sx4 n THR 516 Cb 0.37 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 1sx4 n THR 516 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sx4 s THR 517 N -2.28 2.92 -0.00 4.28 2.01 -1.11 -4.91 115.64 116.56 1sx4 s THR 517 Ca 0.46 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.00 1sx4 s THR 517 Cb 0.33 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 1sx4 s THR 517 CO 0.17 0.02 0.00 1.21 -0.69 0.00 0.00 174.62 175.33 1sx4 n GLU 518 N 4.75 1.57 -4.25 4.92 4.07 -1.26 -4.87 120.64 125.56 1sx4 n GLU 518 Ca 0.14 -0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.10 1sx4 n GLU 518 Cb 0.40 -1.00 -0.10 0.00 -0.06 0.00 0.00 31.44 30.68 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sx4 s MET 520 N -3.75 0.20 -0.08 0.00 -1.94 0.38 -4.96 119.30 109.15 1sx4 s MET 520 Ca 0.17 0.61 0.02 0.00 -1.71 0.00 0.00 55.69 54.78 1sx4 s MET 520 Cb 0.03 -0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.75 1sx4 s MET 520 CO 0.01 -0.19 -0.12 0.08 -0.01 0.00 0.00 175.02 174.78 1sx4 s VAL 521 N 1.58 3.18 0.04 -6.03 1.01 -1.26 0.50 120.40 119.42 1sx4 s VAL 521 Ca -0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1sx4 s VAL 521 Cb -0.11 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1sx4 s VAL 521 CO -0.09 0.57 0.17 1.07 0.00 0.00 0.00 175.10 176.82 1sx4 n THR 522 N 2.72 0.00 -3.39 3.92 5.66 -1.19 -5.00 114.28 117.00 1sx4 n THR 522 Ca -0.18 -0.12 -0.25 0.00 -3.05 0.00 0.00 64.05 60.45 1sx4 n THR 522 Cb 0.52 0.15 -0.02 0.00 -1.55 0.00 0.00 70.33 69.44 1sx4 n THR 522 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1sx4 s ASP 523 N -1.42 6.33 0.39 1.09 1.11 -1.26 -0.53 116.67 122.38 1sx4 s ASP 523 Ca 0.04 0.50 -0.27 0.00 0.18 0.00 0.00 52.55 53.00 1sx4 s ASP 523 Cb -0.01 -2.05 -0.09 0.00 1.07 0.00 0.00 42.92 41.84 1sx4 s ASP 523 CO 0.01 -0.26 1.33 -0.76 1.18 0.00 0.00 175.17 176.67 1sx4 s LEU 524 N -4.09 4.26 0.00 1.23 1.43 -1.18 -4.45 118.68 115.88 1sx4 s LEU 524 Ca 0.41 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 1sx4 s LEU 524 Cb -0.10 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1sx4 s LEU 524 CO 0.34 -0.81 0.46 -0.81 0.23 0.00 0.00 176.35 175.76