#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx4 s ALA 3 N 0.00 3.60 0.36 0.00 0.00 -1.26 -5.00 121.76 119.46 1sx4 s ALA 3 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.35 1sx4 s ALA 3 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1sx4 s ALA 3 CO 0.00 -0.74 0.50 0.15 0.00 0.00 0.00 175.76 175.68 1sx4 s LYS 4 N -0.66 3.06 -0.18 0.00 -0.14 -1.26 -3.24 119.74 117.31 1sx4 s LYS 4 Ca 0.57 -1.01 -0.01 0.00 -1.36 0.00 0.00 55.97 54.17 1sx4 s LYS 4 Cb -0.42 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1sx4 s LYS 4 CO 0.46 -0.02 -0.13 0.34 -0.76 0.00 0.00 175.35 175.23 1sx4 s ASP 5 N -4.21 3.71 -0.14 2.83 -1.08 -0.35 -4.83 116.67 112.60 1sx4 s ASP 5 Ca 0.47 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1sx4 s ASP 5 Cb -0.10 -1.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.76 1sx4 s ASP 5 CO 0.32 0.03 -0.15 -0.69 0.52 0.00 0.00 175.17 175.19 1sx4 s VAL 6 N 1.17 2.79 0.02 1.11 1.01 -1.26 -3.11 120.40 122.12 1sx4 s VAL 6 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1sx4 s VAL 6 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1sx4 s VAL 6 CO -0.05 0.52 -0.20 -0.54 0.00 0.00 0.00 175.10 174.83 1sx4 s LYS 7 N 0.56 1.48 0.07 2.72 1.02 -0.58 -4.99 119.74 120.02 1sx4 s LYS 7 Ca -0.09 -0.84 0.08 0.00 0.02 0.00 0.00 55.97 55.14 1sx4 s LYS 7 Cb -0.16 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 1sx4 s LYS 7 CO 0.04 0.40 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.60 1sx4 s PHE 8 N -0.66 2.48 0.00 3.18 0.40 -1.26 -1.50 117.98 120.62 1sx4 s PHE 8 Ca 0.07 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1sx4 s PHE 8 Cb -0.08 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1sx4 s PHE 8 CO 0.01 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1sx4 n GLY 9 N 1.37 1.09 0.42 4.36 0.00 0.11 -1.83 105.19 110.71 1sx4 n GLY 9 Ca -0.16 0.61 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.88 -0.19 1.61 -1.24 -1.93 0.28 115.58 113.24 1sx4 h ASN 10 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.05 1sx4 h ASN 10 Cb 0.00 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.25 1sx4 h ASN 10 CO 0.00 -0.61 -0.19 0.44 -1.29 0.00 0.00 177.43 175.77 1sx4 h ASP 11 N -1.06 -0.67 -0.49 1.15 3.32 -1.76 0.16 116.42 117.07 1sx4 h ASP 11 Ca -0.11 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1sx4 h ASP 11 Cb 0.80 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 1sx4 h ASP 11 CO 0.17 -0.12 -0.29 0.00 -1.72 0.00 0.00 179.24 177.28 1sx4 n ALA 12 N -2.90 -0.31 -0.19 3.45 0.00 -1.10 -1.23 120.51 118.23 1sx4 n ALA 12 Ca -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1sx4 n ALA 12 Cb 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.55 1sx4 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 h ARG 13 N 0.00 0.84 0.08 0.00 3.08 0.13 -0.08 114.38 118.44 1sx4 h ARG 13 Ca 0.08 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1sx4 h ARG 13 Cb 0.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1sx4 h ARG 13 CO -0.46 0.77 -0.38 0.28 -1.07 0.00 0.00 179.97 179.10 1sx4 h VAL 14 N 0.75 0.21 -0.78 2.04 2.07 0.64 0.13 116.25 121.30 1sx4 h VAL 14 Ca 0.18 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.86 1sx4 h VAL 14 Cb 0.27 0.21 -0.15 0.00 -1.52 0.00 0.00 31.29 30.11 1sx4 h VAL 14 CO -0.01 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.53 1sx4 h LYS 15 N -0.59 0.01 -0.72 1.57 1.79 -1.09 0.66 116.57 118.21 1sx4 h LYS 15 Ca 0.03 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1sx4 h LYS 15 Cb 0.64 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1sx4 h LYS 15 CO -0.25 0.01 0.46 0.52 -1.08 0.00 0.00 179.45 179.11 1sx4 h MET 16 N 0.01 0.87 0.70 3.15 2.86 0.42 -2.39 114.93 120.56 1sx4 h MET 16 Ca 0.39 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1sx4 h MET 16 Cb 0.61 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1sx4 h MET 16 CO -0.79 0.58 -0.48 1.25 1.06 0.00 0.00 176.91 178.53 1sx4 h LEU 17 N 0.90 -1.23 -0.50 1.22 5.85 0.15 0.55 115.31 122.26 1sx4 h LEU 17 Ca 0.28 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.18 1sx4 h LEU 17 Cb -0.01 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 1sx4 h LEU 17 CO -0.10 -0.71 -0.11 0.03 -0.34 0.00 0.00 178.44 177.21 1sx4 h ARG 18 N -1.11 0.01 -0.34 1.25 3.08 -1.30 0.31 114.38 116.28 1sx4 h ARG 18 Ca -0.09 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1sx4 h ARG 18 Cb 0.91 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 1sx4 h ARG 18 CO 0.06 0.01 -0.50 0.78 -1.07 0.00 0.00 179.97 179.25 1sx4 h GLY 19 N 0.01 -1.12 1.03 0.04 0.00 -0.93 -0.76 103.07 101.33 1sx4 h GLY 19 Ca 0.24 0.73 -0.02 0.00 0.00 0.00 0.00 47.33 48.28 1sx4 h GLY 19 CO -0.51 -0.19 0.47 -0.24 0.00 0.00 0.00 176.54 176.07 1sx4 h VAL 20 N -0.37 1.26 -0.62 4.60 3.04 0.17 -2.91 116.25 121.42 1sx4 h VAL 20 Ca 0.06 -0.65 0.11 0.00 -1.01 0.00 0.00 66.70 65.21 1sx4 h VAL 20 Cb 0.54 0.09 -0.08 0.00 -2.01 0.00 0.00 31.29 29.83 1sx4 h VAL 20 CO -0.52 0.29 0.21 0.78 -1.01 0.00 0.00 177.57 177.32 1sx4 h ASN 21 N 1.22 0.17 -0.12 3.17 -0.26 0.41 -1.13 115.58 119.04 1sx4 h ASN 21 Ca 0.30 0.09 0.03 0.00 -0.56 0.00 0.00 56.30 56.17 1sx4 h ASN 21 Cb 0.05 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1sx4 h ASN 21 CO -0.05 0.10 -0.08 0.58 -1.06 0.00 0.00 177.43 176.92 1sx4 h VAL 22 N 0.37 0.77 -0.24 2.81 2.07 -0.97 1.85 116.25 122.92 1sx4 h VAL 22 Ca 0.32 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.87 1sx4 h VAL 22 Cb 0.44 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1sx4 h VAL 22 CO -0.34 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.10 1sx4 h LEU 23 N -0.08 -1.30 -1.21 2.57 6.46 -1.42 -2.54 115.31 117.79 1sx4 h LEU 23 Ca 0.07 0.17 0.10 0.00 -0.12 0.00 0.00 57.88 58.09 1sx4 h LEU 23 Cb 0.18 0.53 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 1sx4 h LEU 23 CO -0.17 -0.30 0.57 0.00 -0.62 0.00 0.00 178.44 177.92 1sx4 h ALA 24 N -0.47 1.64 0.00 1.25 0.00 -0.04 -0.99 119.26 120.65 1sx4 h ALA 24 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 24 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sx4 h ALA 24 CO -0.39 0.18 -0.28 -0.44 0.00 0.00 0.00 179.25 178.32 1sx4 h ASP 25 N 0.88 0.00 0.67 0.00 3.32 0.32 0.23 116.42 121.84 1sx4 h ASP 25 Ca 0.41 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.20 1sx4 h ASP 25 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1sx4 h ASP 25 CO -0.17 0.28 -1.15 0.00 -1.72 0.00 0.00 179.24 176.47 1sx4 h ALA 26 N 1.72 0.19 0.00 3.45 0.00 -1.38 -3.36 119.26 119.88 1sx4 h ALA 26 Ca -0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 54.91 53.88 1sx4 h ALA 26 Cb 1.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 26 CO 0.04 1.00 -1.38 -0.24 0.00 0.00 0.00 179.25 178.67 1sx4 h VAL 27 N 0.07 0.51 0.00 0.00 3.04 -0.84 -3.36 116.25 115.67 1sx4 h VAL 27 Ca -0.10 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.59 1sx4 h VAL 27 Cb 1.87 2.04 0.00 0.00 -2.01 0.00 0.00 31.29 33.20 1sx4 h VAL 27 CO 0.18 0.29 -0.41 0.07 -1.01 0.00 0.00 177.57 176.69 1sx4 h LYS 28 N 0.00 0.00 0.00 4.17 2.10 -1.10 -2.98 116.57 118.76 1sx4 h LYS 28 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1sx4 h LYS 28 Cb 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 1sx4 h LYS 28 CO 0.05 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.83 1sx4 n VAL 29 N -2.25 0.43 -0.63 0.07 0.24 -1.26 -2.72 118.33 112.21 1sx4 n VAL 29 Ca 0.04 0.11 0.10 0.00 -2.04 0.00 0.00 64.34 62.54 1sx4 n VAL 29 Cb 0.45 -0.78 0.37 0.00 -1.47 0.00 0.00 33.84 32.40 1sx4 n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sx4 n THR 30 N -1.31 1.85 0.08 3.34 -2.24 -1.13 -1.21 114.28 113.67 1sx4 n THR 30 Ca 0.09 -1.20 -0.07 0.00 -2.27 0.00 0.00 64.05 60.60 1sx4 n THR 30 Cb 0.17 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1sx4 n THR 30 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sx4 h LEU 31 N 4.17 -0.26 0.00 3.22 5.85 -1.73 -3.42 115.31 123.14 1sx4 h LEU 31 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1sx4 h LEU 31 Cb 1.47 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1sx4 h LEU 31 CO 0.24 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.18 1sx4 n GLY 32 N 0.87 0.00 0.00 3.75 0.00 -1.26 -4.80 105.19 103.75 1sx4 n GLY 32 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1sx4 n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sx4 n PRO 33 N 2.32 0.42 -2.57 1.61 -0.04 -1.26 -4.21 135.00 131.26 1sx4 n PRO 33 Ca 0.00 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1sx4 n PRO 33 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1sx4 n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sx4 n LYS 34 N -1.17 2.20 -1.92 0.54 5.02 -1.26 -4.99 118.16 116.58 1sx4 n LYS 34 Ca 0.12 -3.82 -0.30 0.00 -2.02 0.00 0.00 58.31 52.29 1sx4 n LYS 34 Cb 0.12 -1.71 0.18 0.00 -0.02 0.00 0.00 35.03 33.60 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 -3.33 1.76 0.36 0.72 0.00 -1.26 -3.83 107.32 101.73 1sx4 s GLY 35 Ca 0.37 -1.14 0.08 0.00 0.00 0.00 0.00 44.72 44.03 1sx4 s GLY 35 CO -0.06 -0.40 0.22 0.50 0.00 0.00 0.00 173.10 173.36 1sx4 s ARG 36 N -5.85 2.45 0.17 2.90 1.81 -0.35 -4.98 118.95 115.10 1sx4 s ARG 36 Ca 0.73 -1.54 -0.10 0.00 -1.72 0.00 0.00 55.73 53.10 1sx4 s ARG 36 Cb -0.05 -2.24 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 1sx4 s ARG 36 CO 0.53 0.03 0.49 -0.80 -0.68 0.00 0.00 175.30 174.86 1sx4 s ASN 37 N -3.93 6.64 -0.01 0.23 0.01 -1.26 -4.42 114.94 112.20 1sx4 s ASN 37 Ca 0.40 0.86 0.05 0.00 -0.71 0.00 0.00 52.86 53.47 1sx4 s ASN 37 Cb -0.02 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 1sx4 s ASN 37 CO 0.24 0.03 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.01 1sx4 s VAL 38 N -1.64 2.85 -0.20 1.60 1.01 0.19 -4.95 120.40 119.26 1sx4 s VAL 38 Ca 0.41 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1sx4 s VAL 38 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1sx4 s VAL 38 CO 0.21 0.50 0.07 -0.69 0.00 0.00 0.00 175.10 175.18 1sx4 s VAL 39 N -0.79 4.71 -0.32 2.92 1.01 -1.26 -1.99 120.40 124.67 1sx4 s VAL 39 Ca 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1sx4 s VAL 39 Cb -0.10 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.21 1sx4 s VAL 39 CO 0.02 0.43 0.03 -0.76 0.00 0.00 0.00 175.10 174.81 1sx4 s LEU 40 N 0.67 4.27 0.66 3.92 1.02 0.63 -4.95 118.68 124.89 1sx4 s LEU 40 Ca 0.03 -1.68 -0.17 0.00 0.02 0.00 0.00 54.13 52.33 1sx4 s LEU 40 Cb -0.13 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.40 1sx4 s LEU 40 CO 0.02 -0.33 1.25 -0.62 0.02 0.00 0.00 176.35 176.69 1sx4 s ASP 41 N 1.24 4.61 -0.02 2.29 2.15 -1.26 -0.57 116.67 125.10 1sx4 s ASP 41 Ca 0.01 2.51 0.00 0.00 0.43 0.00 0.00 52.55 55.50 1sx4 s ASP 41 Cb -0.20 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.84 1sx4 s ASP 41 CO -0.04 -1.99 0.02 -0.75 -0.17 0.00 0.00 175.17 172.24 1sx4 s LYS 42 N -3.50 0.03 0.00 4.34 2.20 -1.26 -4.82 119.74 116.73 1sx4 s LYS 42 Ca 0.79 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1sx4 s LYS 42 Cb -0.34 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 1sx4 s LYS 42 CO 0.40 -0.17 0.35 0.43 -0.36 0.00 0.00 175.35 176.00 1sx4 n SER 43 N 4.21 0.00 -4.85 1.43 7.64 -1.26 -4.43 113.62 116.36 1sx4 n SER 43 Ca -0.27 0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 1sx4 n SER 43 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1sx4 n SER 43 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sx4 s PHE 44 N -0.82 3.46 0.00 1.43 0.40 -1.26 -4.94 117.98 116.24 1sx4 s PHE 44 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 1sx4 s PHE 44 Cb 0.00 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 41.09 1sx4 s PHE 44 CO 0.00 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.55 1sx4 n GLY 45 N 0.01 -1.98 3.84 4.36 0.00 -1.26 -4.97 105.19 105.18 1sx4 n GLY 45 Ca 0.01 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 s ALA 46 N -1.02 3.28 1.24 4.61 0.00 -1.26 -4.79 121.76 123.82 1sx4 s ALA 46 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 1sx4 s ALA 46 Cb 0.00 -2.83 0.30 0.00 0.00 0.00 0.00 23.12 20.59 1sx4 s ALA 46 CO 0.00 0.30 1.03 -1.25 0.00 0.00 0.00 175.76 175.84 1sx4 s PRO 47 N -2.96 -1.47 -0.18 0.00 0.04 -1.26 -4.72 135.00 124.44 1sx4 s PRO 47 Ca 0.55 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 1sx4 s PRO 47 Cb -0.10 -1.54 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 1sx4 s PRO 47 CO 0.17 -3.95 -0.09 0.99 0.04 0.00 0.00 177.00 174.16 1sx4 s THR 48 N -2.65 3.13 -0.19 1.26 2.01 0.26 -4.94 115.64 114.52 1sx4 s THR 48 Ca 0.69 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1sx4 s THR 48 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1sx4 s THR 48 CO 0.59 0.48 0.08 -0.63 -0.69 0.00 0.00 174.62 174.45 1sx4 s ILE 49 N 1.00 4.98 0.03 1.82 1.01 -1.26 -0.27 121.20 128.51 1sx4 s ILE 49 Ca -0.01 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1sx4 s ILE 49 Cb -0.15 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1sx4 s ILE 49 CO -0.01 0.45 0.40 0.28 0.00 0.00 0.00 174.94 176.06 1sx4 s THR 50 N 0.39 0.06 -0.13 2.92 -1.32 -0.84 -4.99 115.64 111.72 1sx4 s THR 50 Ca 0.05 -0.47 0.18 0.00 -1.21 0.00 0.00 61.69 60.24 1sx4 s THR 50 Cb -0.12 -0.91 0.29 0.00 -1.51 0.00 0.00 72.50 70.25 1sx4 s THR 50 CO -0.00 -0.26 1.15 0.29 -2.21 0.00 0.00 174.62 173.59 1sx4 n LYS 51 N 0.62 1.28 -3.82 7.08 5.02 -1.26 -0.64 118.16 126.44 1sx4 n LYS 51 Ca -0.19 -2.61 -0.36 0.00 -2.02 0.00 0.00 58.31 53.13 1sx4 n LYS 51 Cb 0.59 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.99 1sx4 n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sx4 s ASP 52 N -2.87 5.13 0.55 4.39 2.15 -1.26 -4.72 116.67 120.04 1sx4 s ASP 52 Ca 0.32 -1.49 0.24 0.00 0.43 0.00 0.00 52.55 52.05 1sx4 s ASP 52 Cb 0.28 -1.79 1.50 0.00 -0.30 0.00 0.00 42.92 42.60 1sx4 s ASP 52 CO 0.02 -0.38 2.10 1.23 -0.17 0.00 0.00 175.17 177.98 1sx4 h GLY 53 N 8.08 0.00 0.90 2.66 0.00 -1.84 -2.18 103.07 110.68 1sx4 h GLY 53 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1sx4 h GLY 53 CO 0.61 0.00 -0.29 -2.08 0.00 0.00 0.00 176.54 174.78 1sx4 h VAL 54 N 0.00 1.33 -0.01 4.60 2.07 -1.94 0.17 116.25 122.46 1sx4 h VAL 54 Ca 0.10 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1sx4 h VAL 54 Cb 0.44 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1sx4 h VAL 54 CO -0.00 0.46 -0.22 0.28 0.02 0.00 0.00 177.57 178.11 1sx4 h SER 55 N 0.27 -0.66 0.28 0.57 0.02 -1.91 -2.36 113.55 109.75 1sx4 h SER 55 Ca 0.02 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1sx4 h SER 55 Cb 0.87 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1sx4 h SER 55 CO 0.07 -0.29 -0.25 0.58 -1.14 0.00 0.00 176.83 175.80 1sx4 h VAL 56 N -0.35 0.47 -0.89 2.27 2.07 -1.25 -2.63 116.25 115.94 1sx4 h VAL 56 Ca 0.06 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.82 1sx4 h VAL 56 Cb 0.43 0.47 -0.15 0.00 -1.52 0.00 0.00 31.29 30.52 1sx4 h VAL 56 CO -0.21 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.53 1sx4 h ALA 57 N 0.10 1.19 -0.05 1.67 0.00 -0.69 0.06 119.26 121.54 1sx4 h ALA 57 Ca -0.01 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sx4 h ALA 57 Cb 0.49 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sx4 h ALA 57 CO -0.04 -0.51 0.03 -0.09 0.00 0.00 0.00 179.25 178.64 1sx4 h ARG 58 N 0.13 0.07 0.00 0.00 2.43 -1.04 0.46 114.38 116.43 1sx4 h ARG 58 Ca 0.55 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1sx4 h ARG 58 Cb 1.12 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1sx4 h ARG 58 CO -0.73 0.06 -0.56 0.93 -1.51 0.00 0.00 179.97 178.15 1sx4 h GLU 59 N 0.07 0.00 -6.18 0.20 3.07 -0.95 -3.45 114.58 107.34 1sx4 h GLU 59 Ca 0.02 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.31 1sx4 h GLU 59 Cb 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1sx4 h GLU 59 CO -0.00 0.00 0.92 0.42 -1.40 0.00 0.00 179.01 178.95 1sx4 s ILE 60 N -3.21 4.23 -0.15 3.13 -1.09 0.16 -4.97 121.20 119.30 1sx4 s ILE 60 Ca 0.05 1.48 -0.05 0.00 -2.23 0.00 0.00 60.65 59.89 1sx4 s ILE 60 Cb 0.11 -4.00 0.07 0.00 -1.58 0.00 0.00 42.46 37.06 1sx4 s ILE 60 CO 0.71 -0.18 0.31 -0.70 -1.23 0.00 0.00 174.94 173.85 1sx4 s GLU 61 N 3.63 0.20 0.44 2.79 2.12 -1.26 -4.93 118.70 121.69 1sx4 s GLU 61 Ca 0.56 0.82 0.02 0.00 0.36 0.00 0.00 54.97 56.73 1sx4 s GLU 61 Cb -0.21 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.24 1sx4 s GLU 61 CO 0.16 -0.27 0.63 -0.51 -0.54 0.00 0.00 175.26 174.74 1sx4 s LEU 62 N 2.40 3.67 -0.09 2.70 1.43 -1.26 -5.03 118.68 122.49 1sx4 s LEU 62 Ca -0.00 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1sx4 s LEU 62 Cb -0.12 -2.99 -0.25 0.00 0.03 0.00 0.00 46.19 42.86 1sx4 s LEU 62 CO -0.10 -0.71 0.93 -0.08 0.23 0.00 0.00 176.35 176.62 1sx4 h GLU 63 N 0.48 0.09 -6.12 1.70 4.81 -2.00 -3.42 114.58 110.12 1sx4 h GLU 63 Ca -0.45 -0.12 -0.58 0.00 -0.13 0.00 0.00 59.36 58.08 1sx4 h GLU 63 Cb 1.26 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1sx4 h GLU 63 CO 0.55 0.94 1.39 0.34 -0.73 0.00 0.00 179.01 181.50 1sx4 s ASP 64 N -6.27 5.69 1.19 1.04 -1.08 -1.26 -4.95 116.67 111.03 1sx4 s ASP 64 Ca -0.17 1.70 -0.14 0.00 -0.52 0.00 0.00 52.55 53.43 1sx4 s ASP 64 Cb -0.01 -2.52 0.29 0.00 -1.46 0.00 0.00 42.92 39.23 1sx4 s ASP 64 CO 0.72 -1.80 1.02 -0.54 0.52 0.00 0.00 175.17 175.09 1sx4 s LYS 65 N 5.95 -1.11 0.84 4.34 1.02 -1.26 -0.35 119.74 129.18 1sx4 s LYS 65 Ca 0.91 0.69 0.00 0.00 0.02 0.00 0.00 55.97 57.59 1sx4 s LYS 65 Cb -0.29 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1sx4 s LYS 65 CO 0.35 -3.81 0.00 1.19 -0.92 0.00 0.00 175.35 172.16 1sx4 n PHE 66 N -4.96 0.00 -0.33 3.18 3.72 -1.26 -4.02 117.46 113.79 1sx4 n PHE 66 Ca 0.04 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.48 1sx4 n PHE 66 Cb 0.55 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.21 1sx4 n PHE 66 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sx4 h GLU 67 N 0.00 -0.00 -0.33 -1.08 5.08 -1.59 0.64 114.58 117.30 1sx4 h GLU 67 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sx4 h GLU 67 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sx4 h GLU 67 CO 0.00 -0.00 0.19 -0.97 -1.00 0.00 0.00 179.01 177.23 1sx4 h ASN 68 N -0.00 0.41 -0.74 1.42 -1.24 -0.83 -2.12 115.58 112.48 1sx4 h ASN 68 Ca 0.44 -0.07 0.16 0.00 0.71 0.00 0.00 56.30 57.54 1sx4 h ASN 68 Cb 0.67 -0.10 -0.12 0.00 0.73 0.00 0.00 38.32 39.50 1sx4 h ASN 68 CO -0.96 0.36 0.13 0.24 -1.29 0.00 0.00 177.43 175.91 1sx4 h MET 69 N 0.42 0.21 -0.05 6.67 2.86 -1.26 0.36 114.93 124.14 1sx4 h MET 69 Ca 0.12 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1sx4 h MET 69 Cb 0.03 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 1sx4 h MET 69 CO -0.02 0.14 -0.52 0.78 1.06 0.00 0.00 176.91 178.34 1sx4 h GLY 70 N 0.22 -1.06 1.35 8.32 0.00 0.83 0.14 103.07 112.87 1sx4 h GLY 70 Ca 0.42 0.65 -0.07 0.00 0.00 0.00 0.00 47.33 48.33 1sx4 h GLY 70 CO -0.55 -0.22 0.03 0.00 0.00 0.00 0.00 176.54 175.79 1sx4 h ALA 71 N -0.32 1.13 -0.17 3.60 0.00 -0.80 -2.40 119.26 120.31 1sx4 h ALA 71 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1sx4 h ALA 71 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sx4 h ALA 71 CO -0.38 0.57 -0.35 1.96 0.00 0.00 0.00 179.25 181.04 1sx4 h GLN 72 N 0.75 0.35 -0.32 0.00 1.08 0.68 -1.94 115.11 115.70 1sx4 h GLN 72 Ca 0.15 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1sx4 h GLN 72 Cb 0.42 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1sx4 h GLN 72 CO 0.01 0.66 -0.22 0.52 -0.95 0.00 0.00 178.83 178.85 1sx4 h MET 73 N 0.30 0.62 0.01 1.46 2.86 -0.25 -1.25 114.93 118.68 1sx4 h MET 73 Ca 0.03 -0.23 -0.22 0.00 -2.06 0.00 0.00 59.70 57.22 1sx4 h MET 73 Cb 0.76 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.40 1sx4 h MET 73 CO 0.06 0.80 -0.85 0.28 1.06 0.00 0.00 176.91 178.25 1sx4 h VAL 74 N 0.55 1.35 -0.96 -2.22 2.07 -1.25 -2.65 116.25 113.15 1sx4 h VAL 74 Ca 0.08 -2.19 0.12 0.00 0.82 0.00 0.00 66.70 65.53 1sx4 h VAL 74 Cb 0.68 2.53 -0.09 0.00 -1.52 0.00 0.00 31.29 32.89 1sx4 h VAL 74 CO 0.05 0.66 0.58 0.11 0.02 0.00 0.00 177.57 178.99 1sx4 h LYS 75 N 0.14 0.88 -0.36 1.57 1.57 -1.26 -1.45 116.57 117.65 1sx4 h LYS 75 Ca -0.11 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1sx4 h LYS 75 Cb 1.54 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 1sx4 h LYS 75 CO 0.17 0.58 0.20 1.49 -0.57 0.00 0.00 179.45 181.32 1sx4 h GLU 76 N 0.90 0.40 0.18 3.15 4.81 -0.86 -0.22 114.58 122.93 1sx4 h GLU 76 Ca 0.48 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 59.40 1sx4 h GLU 76 Cb 0.52 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.82 1sx4 h GLU 76 CO -0.28 0.26 -1.39 -0.24 -0.73 0.00 0.00 179.01 176.63 1sx4 h VAL 77 N 0.41 1.18 -0.70 0.32 3.04 -1.34 -2.60 116.25 116.56 1sx4 h VAL 77 Ca 0.15 -2.54 0.07 0.00 -1.01 0.00 0.00 66.70 63.37 1sx4 h VAL 77 Cb 0.02 2.93 -0.04 0.00 -2.01 0.00 0.00 31.29 32.18 1sx4 h VAL 77 CO -0.08 0.78 0.46 0.00 -1.01 0.00 0.00 177.57 177.71 1sx4 h ALA 78 N 0.07 1.78 -0.21 3.17 0.00 -1.14 -0.57 119.26 122.36 1sx4 h ALA 78 Ca -0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1sx4 h ALA 78 Cb 1.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1sx4 h ALA 78 CO 0.17 0.10 -0.35 1.03 0.00 0.00 0.00 179.25 180.20 1sx4 h SER 79 N 0.67 0.47 -0.42 0.00 0.87 -0.80 -2.16 113.55 112.17 1sx4 h SER 79 Ca 0.31 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1sx4 h SER 79 Cb 0.34 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1sx4 h SER 79 CO -0.10 0.79 0.08 0.11 -0.53 0.00 0.00 176.83 177.17 1sx4 h LYS 80 N 0.38 0.77 0.25 2.24 1.57 -0.79 0.25 116.57 121.24 1sx4 h LYS 80 Ca 0.04 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1sx4 h LYS 80 Cb 0.79 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1sx4 h LYS 80 CO 0.06 0.72 -0.50 0.00 -0.57 0.00 0.00 179.45 179.16 1sx4 h ALA 81 N 1.35 -1.00 -0.86 3.86 0.00 -0.52 0.12 119.26 122.22 1sx4 h ALA 81 Ca 0.16 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1sx4 h ALA 81 Cb 0.33 0.81 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1sx4 h ALA 81 CO 0.00 -1.12 0.28 -0.97 0.00 0.00 0.00 179.25 177.45 1sx4 h ASN 82 N -0.82 0.13 -0.82 0.00 -0.73 -1.28 0.29 115.58 112.34 1sx4 h ASN 82 Ca -0.02 0.17 0.12 0.00 1.87 0.00 0.00 56.30 58.44 1sx4 h ASN 82 Cb 0.79 0.20 -0.08 0.00 0.27 0.00 0.00 38.32 39.50 1sx4 h ASN 82 CO -0.21 -0.08 0.44 0.44 -0.37 0.00 0.00 177.43 177.66 1sx4 h ASP 83 N 0.29 0.58 0.71 1.15 3.32 0.18 -0.09 116.42 122.57 1sx4 h ASP 83 Ca 0.53 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1sx4 h ASP 83 Cb 1.02 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1sx4 h ASP 83 CO -0.58 0.29 -1.09 0.00 -1.72 0.00 0.00 179.24 176.15 1sx4 n ALA 84 N -2.40 2.83 -0.00 3.45 0.00 0.83 -4.61 120.51 120.61 1sx4 n ALA 84 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 1sx4 n ALA 84 Cb 0.35 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1sx4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 85 N -2.06 2.00 0.00 0.00 0.00 -0.07 -5.02 120.51 115.36 1sx4 n ALA 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sx4 n ALA 85 Cb 0.51 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 2.96 1.10 0.00 0.00 0.00 -0.06 -4.70 105.19 104.48 1sx4 n GLY 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sx4 n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sx4 n ASP 87 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.92 116.55 114.01 1sx4 n ASP 87 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sx4 n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1sx4 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sx4 n GLY 88 N -0.14 2.52 0.01 0.27 0.00 -1.26 -3.93 105.19 102.66 1sx4 n GLY 88 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sx4 n GLY 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sx4 n THR 89 N -0.77 -0.02 -0.02 2.61 -1.04 -1.26 0.14 114.28 113.92 1sx4 n THR 89 Ca 0.00 0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 1sx4 n THR 89 Cb 0.00 -0.09 -0.11 0.00 -1.82 0.00 0.00 70.33 68.31 1sx4 n THR 89 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1sx4 h THR 90 N 0.00 1.47 -0.31 12.58 2.02 -1.92 -2.58 112.91 124.17 1sx4 h THR 90 Ca 0.01 -1.44 0.07 0.00 0.77 0.00 0.00 66.41 65.81 1sx4 h THR 90 Cb 0.02 2.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.79 1sx4 h THR 90 CO -0.03 0.37 -0.22 0.74 0.37 0.00 0.00 175.52 176.76 1sx4 h THR 91 N -0.63 0.41 -0.44 3.16 2.02 -0.77 -0.08 112.91 116.58 1sx4 h THR 91 Ca -0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1sx4 h THR 91 Cb 0.62 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 1sx4 h THR 91 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.75 1sx4 h ALA 92 N 0.95 0.23 -0.35 6.16 0.00 0.12 -0.75 119.26 125.62 1sx4 h ALA 92 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1sx4 h ALA 92 Cb 0.44 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1sx4 h ALA 92 CO -0.42 -0.49 -0.13 1.15 0.00 0.00 0.00 179.25 179.36 1sx4 h THR 93 N -0.05 0.55 -0.60 0.00 2.02 -0.73 0.13 112.91 114.24 1sx4 h THR 93 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1sx4 h THR 93 Cb 0.37 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1sx4 h THR 93 CO -0.48 0.00 0.32 0.58 0.37 0.00 0.00 175.52 176.31 1sx4 h VAL 94 N -0.06 0.96 -0.22 3.16 2.07 -0.19 -0.95 116.25 121.02 1sx4 h VAL 94 Ca 0.18 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1sx4 h VAL 94 Cb 0.33 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1sx4 h VAL 94 CO -0.40 0.11 -0.34 -0.07 0.02 0.00 0.00 177.57 176.89 1sx4 h LEU 95 N 0.60 0.48 -0.69 2.57 3.38 -0.96 -2.30 115.31 118.39 1sx4 h LEU 95 Ca 0.27 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1sx4 h LEU 95 Cb 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1sx4 h LEU 95 CO -0.17 0.80 0.39 0.00 0.09 0.00 0.00 178.44 179.55 1sx4 h ALA 96 N 1.23 0.93 -0.24 1.53 0.00 0.43 -1.36 119.26 121.78 1sx4 h ALA 96 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 96 Cb 0.79 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1sx4 h ALA 96 CO 0.06 0.08 0.02 0.37 0.00 0.00 0.00 179.25 179.78 1sx4 h GLN 97 N 0.72 0.42 -0.38 0.00 4.15 -1.17 -1.04 115.11 117.81 1sx4 h GLN 97 Ca 0.31 -0.12 0.07 0.00 0.77 0.00 0.00 58.65 59.67 1sx4 h GLN 97 Cb 0.18 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 1sx4 h GLN 97 CO -0.18 0.58 0.01 0.00 -1.93 0.00 0.00 178.83 177.30 1sx4 h ALA 98 N 0.82 0.35 0.31 3.38 0.00 -0.69 0.28 119.26 123.73 1sx4 h ALA 98 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 98 Cb 0.38 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sx4 h ALA 98 CO 0.01 -0.39 -0.15 0.82 0.00 0.00 0.00 179.25 179.54 1sx4 h ILE 99 N 0.11 0.67 -0.95 0.00 2.04 -1.29 -3.23 117.51 114.85 1sx4 h ILE 99 Ca 0.19 -0.62 0.17 0.00 1.00 0.00 0.00 64.86 65.60 1sx4 h ILE 99 Cb 0.26 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.21 1sx4 h ILE 99 CO -0.31 0.11 0.55 0.40 0.00 0.00 0.00 178.15 178.91 1sx4 h ILE 100 N -0.79 0.71 -0.30 -0.67 2.04 -0.31 0.11 117.51 118.31 1sx4 h ILE 100 Ca -0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1sx4 h ILE 100 Cb 0.51 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1sx4 h ILE 100 CO 0.07 0.13 0.19 0.74 0.00 0.00 0.00 178.15 179.28 1sx4 h THR 101 N 0.72 1.09 0.08 -0.27 2.02 -0.52 -2.07 112.91 113.96 1sx4 h THR 101 Ca 0.54 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 67.31 1sx4 h THR 101 Cb 0.81 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1sx4 h THR 101 CO -0.38 0.09 -1.03 -0.33 0.37 0.00 0.00 175.52 174.24 1sx4 h GLU 102 N 0.40 0.17 -0.32 6.66 4.39 -1.06 -2.16 114.58 122.65 1sx4 h GLU 102 Ca 0.11 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1sx4 h GLU 102 Cb -0.01 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1sx4 h GLU 102 CO -0.02 1.14 0.11 0.78 -1.16 0.00 0.00 179.01 179.85 1sx4 h GLY 103 N -0.37 0.49 1.99 -3.84 0.00 -0.96 -1.23 103.07 99.15 1sx4 h GLY 103 Ca -0.23 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 1sx4 h GLY 103 CO 0.02 0.22 -0.81 -2.00 0.00 0.00 0.00 176.54 173.97 1sx4 h LEU 104 N 0.45 0.00 -0.35 3.11 5.85 -1.41 -1.90 115.31 121.06 1sx4 h LEU 104 Ca 0.11 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1sx4 h LEU 104 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1sx4 h LEU 104 CO -0.01 0.81 0.01 0.11 -0.34 0.00 0.00 178.44 179.02 1sx4 h LYS 105 N 0.00 0.61 -0.13 1.25 1.57 -0.86 -3.07 116.57 115.95 1sx4 h LYS 105 Ca -0.01 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1sx4 h LYS 105 Cb 1.62 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 1sx4 h LYS 105 CO 0.10 0.72 -0.20 0.00 -0.57 0.00 0.00 179.45 179.51 1sx4 h ALA 106 N 0.87 -0.15 -0.81 3.86 0.00 -0.92 -0.95 119.26 121.17 1sx4 h ALA 106 Ca 0.10 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1sx4 h ALA 106 Cb 0.43 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1sx4 h ALA 106 CO 0.02 -0.65 0.53 -0.39 0.00 0.00 0.00 179.25 178.75 1sx4 h VAL 107 N -0.25 0.99 0.00 0.00 -1.51 -1.38 0.33 116.25 114.42 1sx4 h VAL 107 Ca 0.10 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1sx4 h VAL 107 Cb 0.40 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1sx4 h VAL 107 CO -0.28 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.21 1sx4 n ALA 108 N -2.43 2.23 0.76 5.19 0.00 -0.71 -1.38 120.51 124.17 1sx4 n ALA 108 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1sx4 n ALA 108 Cb 0.27 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.55 1sx4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 109 N -1.78 2.91 0.00 0.00 0.00 0.11 -4.93 120.51 116.82 1sx4 n ALA 109 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1sx4 n ALA 109 Cb 0.41 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1sx4 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 110 N 1.40 1.59 3.98 0.00 0.00 -0.48 -5.09 105.19 106.60 1sx4 n GLY 110 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.53 2.41 -0.39 1.61 -1.94 -1.09 -5.05 119.30 114.34 1sx4 s MET 111 Ca 0.00 -0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 52.87 1sx4 s MET 111 Cb 0.00 -2.48 0.01 0.00 2.01 0.00 0.00 34.83 34.37 1sx4 s MET 111 CO 0.00 -0.81 0.77 1.21 -0.01 0.00 0.00 175.02 176.18 1sx4 s ASN 112 N -4.48 6.50 0.33 3.03 3.84 -1.26 -4.52 114.94 118.38 1sx4 s ASN 112 Ca 0.59 0.20 0.11 0.00 0.21 0.00 0.00 52.86 53.96 1sx4 s ASN 112 Cb -0.09 -2.39 0.92 0.00 -0.55 0.00 0.00 41.25 39.13 1sx4 s ASN 112 CO 0.39 -0.78 1.74 -0.65 -2.79 0.00 0.00 177.10 175.01 1sx4 h PRO 113 N 8.64 0.54 -0.05 0.43 0.11 -1.93 -1.91 132.00 137.82 1sx4 h PRO 113 Ca -0.25 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.61 1sx4 h PRO 113 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1sx4 h PRO 113 CO 0.92 0.36 -0.85 1.98 -0.21 0.00 0.00 178.00 180.20 1sx4 h MET 114 N 0.56 0.51 -0.46 1.05 4.05 -1.92 -1.77 114.93 116.95 1sx4 h MET 114 Ca 0.64 -0.48 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 1sx4 h MET 114 Cb 1.26 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.17 1sx4 h MET 114 CO -0.45 1.11 -0.21 -0.44 0.23 0.00 0.00 176.91 177.16 1sx4 h ASP 115 N 0.32 0.95 -0.50 1.39 3.32 -1.80 -2.09 116.42 118.02 1sx4 h ASP 115 Ca -0.06 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1sx4 h ASP 115 Cb 1.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1sx4 h ASP 115 CO 0.15 1.12 0.18 -0.07 -1.72 0.00 0.00 179.24 178.91 1sx4 h LEU 116 N 0.81 0.70 0.17 1.55 3.38 -0.77 -0.82 115.31 120.34 1sx4 h LEU 116 Ca 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sx4 h LEU 116 Cb 0.77 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1sx4 h LEU 116 CO 0.06 0.70 -0.15 0.50 0.09 0.00 0.00 178.44 179.64 1sx4 h LYS 117 N 0.66 -0.33 -0.49 1.13 3.64 -1.30 -2.21 116.57 117.68 1sx4 h LYS 117 Ca 0.16 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1sx4 h LYS 117 Cb 0.23 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1sx4 h LYS 117 CO -0.01 -0.22 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.51 1sx4 h ARG 118 N -0.34 -0.08 0.00 1.90 2.43 -0.54 0.10 114.38 117.85 1sx4 h ARG 118 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sx4 h ARG 118 Cb 0.32 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1sx4 h ARG 118 CO -0.03 -0.05 0.00 0.41 -1.51 0.00 0.00 179.97 178.79 1sx4 n GLY 119 N -1.18 -2.59 0.40 2.80 0.00 -0.42 -0.87 105.19 103.33 1sx4 n GLY 119 Ca 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 1sx4 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sx4 n ILE 120 N -2.78 -0.63 0.02 -0.61 5.41 -0.84 -1.50 119.36 118.42 1sx4 n ILE 120 Ca 0.00 2.36 0.10 0.00 1.00 0.00 0.00 62.75 66.21 1sx4 n ILE 120 Cb 0.00 -2.95 0.53 0.00 -0.71 0.00 0.00 39.64 36.51 1sx4 n ILE 120 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1sx4 h ASP 121 N 0.00 0.28 0.22 4.38 3.32 -0.18 0.14 116.42 124.57 1sx4 h ASP 121 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1sx4 h ASP 121 Cb 0.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1sx4 h ASP 121 CO -0.93 0.18 -0.10 0.50 -1.72 0.00 0.00 179.24 177.17 1sx4 h LYS 122 N 0.32 -0.28 -0.66 3.56 3.64 0.11 -0.39 116.57 122.86 1sx4 h LYS 122 Ca 0.18 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 1sx4 h LYS 122 Cb 0.33 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1sx4 h LYS 122 CO -0.04 0.06 0.09 0.00 -2.27 0.00 0.00 179.45 177.29 1sx4 h ALA 123 N -0.02 0.76 0.50 5.00 0.00 -0.30 0.42 119.26 125.62 1sx4 h ALA 123 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1sx4 h ALA 123 Cb 0.48 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sx4 h ALA 123 CO 0.05 -0.36 -0.24 0.28 0.00 0.00 0.00 179.25 178.98 1sx4 h VAL 124 N 0.20 0.49 -0.92 0.00 2.07 -0.73 -0.84 116.25 116.51 1sx4 h VAL 124 Ca 0.36 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.97 1sx4 h VAL 124 Cb 0.59 0.56 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1sx4 h VAL 124 CO -0.50 0.03 0.39 0.74 0.02 0.00 0.00 177.57 178.25 1sx4 h THR 125 N -0.77 0.39 -0.11 2.57 2.02 0.34 0.76 112.91 118.10 1sx4 h THR 125 Ca -0.07 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1sx4 h THR 125 Cb 0.56 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1sx4 h THR 125 CO 0.11 0.06 -0.38 0.00 0.37 0.00 0.00 175.52 175.68 1sx4 h ALA 126 N 1.77 0.19 -0.18 6.16 0.00 0.06 -2.86 119.26 124.41 1sx4 h ALA 126 Ca 0.60 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 126 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sx4 h ALA 126 CO -0.58 0.29 -0.63 0.00 0.00 0.00 0.00 179.25 178.32 1sx4 h ALA 127 N 0.49 0.56 -0.50 0.00 0.00 0.41 -1.75 119.26 118.46 1sx4 h ALA 127 Ca -0.02 -0.55 0.10 0.00 0.00 0.00 0.00 54.91 54.44 1sx4 h ALA 127 Cb 1.02 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1sx4 h ALA 127 CO 0.08 0.70 -0.14 0.28 0.00 0.00 0.00 179.25 180.18 1sx4 h VAL 128 N 0.46 0.48 0.00 0.00 2.07 0.53 0.20 116.25 119.99 1sx4 h VAL 128 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1sx4 h VAL 128 Cb 1.21 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1sx4 h VAL 128 CO 0.12 0.00 -0.53 -0.08 0.02 0.00 0.00 177.57 177.10 1sx4 h GLU 129 N -0.01 -0.65 -0.72 1.57 4.57 -1.41 -1.82 114.58 116.11 1sx4 h GLU 129 Ca 0.24 0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.61 1sx4 h GLU 129 Cb 0.38 0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 28.98 1sx4 h GLU 129 CO -0.52 -0.43 -0.15 0.93 -1.18 0.00 0.00 179.01 177.66 1sx4 h GLU 130 N -0.67 0.01 -0.83 1.92 4.39 -0.31 1.16 114.58 120.26 1sx4 h GLU 130 Ca 0.01 -0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.91 1sx4 h GLU 130 Cb 0.72 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 1sx4 h GLU 130 CO -0.35 0.01 0.28 -0.07 -1.16 0.00 0.00 179.01 177.71 1sx4 h LEU 131 N 0.01 0.15 -1.97 1.33 4.07 -0.50 -0.21 115.31 118.19 1sx4 h LEU 131 Ca 0.35 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.45 1sx4 h LEU 131 Cb 0.55 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 1sx4 h LEU 131 CO -0.72 -0.04 -0.08 0.11 -1.08 0.00 0.00 178.44 176.64 1sx4 h LYS 132 N 0.32 0.00 0.15 1.13 1.57 0.22 -1.20 116.57 118.76 1sx4 h LYS 132 Ca 0.50 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.99 1sx4 h LYS 132 Cb 0.91 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.24 1sx4 h LYS 132 CO -0.54 0.08 -1.28 0.00 -0.57 0.00 0.00 179.45 177.14 1sx4 h ALA 133 N 1.92 0.04 -0.01 3.86 0.00 -0.50 -3.26 119.26 121.31 1sx4 h ALA 133 Ca -0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 54.91 53.87 1sx4 h ALA 133 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sx4 h ALA 133 CO 0.01 0.84 -0.85 1.25 0.00 0.00 0.00 179.25 180.50 1sx4 h LEU 134 N 0.14 0.34 -9.13 0.00 5.85 -0.64 -3.45 115.31 108.41 1sx4 h LEU 134 Ca -0.17 -0.26 -0.75 0.00 0.84 0.00 0.00 57.88 57.54 1sx4 h LEU 134 Cb 1.98 -0.10 0.04 0.00 0.37 0.00 0.00 40.66 42.95 1sx4 h LEU 134 CO 0.22 1.04 0.46 -0.24 -0.34 0.00 0.00 178.44 179.58 1sx4 n SER 135 N -3.71 1.24 -4.68 1.25 2.88 -0.50 -4.92 113.62 105.18 1sx4 n SER 135 Ca -0.04 1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 58.28 1sx4 n SER 135 Cb 0.78 -1.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.10 1sx4 n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sx4 s VAL 136 N 1.29 5.23 0.77 2.46 1.01 -0.78 -4.93 120.40 125.46 1sx4 s VAL 136 Ca 0.92 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 1sx4 s VAL 136 Cb -1.15 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 31.90 1sx4 s VAL 136 CO 0.58 0.42 1.18 -2.84 0.00 0.00 0.00 175.10 174.44 1sx4 s PRO 137 N 0.59 1.92 -0.26 2.72 0.02 -1.26 -2.09 135.00 136.63 1sx4 s PRO 137 Ca 0.07 1.64 -0.00 0.00 0.02 0.00 0.00 61.00 62.72 1sx4 s PRO 137 Cb -0.12 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.66 1sx4 s PRO 137 CO 0.00 -1.98 0.02 0.00 -0.33 0.00 0.00 177.00 174.72 1sx4 n SER 139 N 4.75 0.27 -4.80 0.00 2.88 -1.26 -4.31 113.62 111.14 1sx4 n SER 139 Ca -0.07 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.17 1sx4 n SER 139 Cb 0.44 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.99 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1sx4 s ASP 140 N -4.88 4.44 0.36 -3.46 1.47 -1.26 -4.78 116.67 108.56 1sx4 s ASP 140 Ca 0.00 1.31 0.08 0.00 1.18 0.00 0.00 52.55 55.12 1sx4 s ASP 140 Cb 0.00 -2.04 0.80 0.00 -0.34 0.00 0.00 42.92 41.34 1sx4 s ASP 140 CO 0.00 -2.00 1.90 0.28 0.68 0.00 0.00 175.17 176.03 1sx4 h SER 141 N -1.11 0.65 0.18 2.11 0.02 -1.99 -0.86 113.55 112.56 1sx4 h SER 141 Ca -0.47 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1sx4 h SER 141 Cb 1.27 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1sx4 h SER 141 CO 0.59 0.36 -0.19 0.50 -1.14 0.00 0.00 176.83 176.96 1sx4 h LYS 142 N 0.71 -0.39 -0.37 3.45 3.64 -1.99 -2.28 116.57 119.35 1sx4 h LYS 142 Ca 0.41 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.74 1sx4 h LYS 142 Cb 0.59 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1sx4 h LYS 142 CO -0.17 -0.26 -0.09 0.00 -2.27 0.00 0.00 179.45 176.66 1sx4 h ALA 143 N 0.36 1.16 -0.20 5.00 0.00 -1.55 -0.92 119.26 123.11 1sx4 h ALA 143 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sx4 h ALA 143 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sx4 h ALA 143 CO -0.05 0.54 0.13 0.82 0.00 0.00 0.00 179.25 180.68 1sx4 h ILE 144 N 0.58 1.08 -0.17 0.00 1.08 -1.22 -0.79 117.51 118.06 1sx4 h ILE 144 Ca 0.11 -0.19 -0.19 0.00 -0.39 0.00 0.00 64.86 64.20 1sx4 h ILE 144 Cb 0.50 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1sx4 h ILE 144 CO 0.03 0.08 -0.65 0.00 -0.69 0.00 0.00 178.15 176.92 1sx4 h ALA 145 N 1.04 0.53 -0.40 1.87 0.00 -0.96 -1.85 119.26 119.49 1sx4 h ALA 145 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sx4 h ALA 145 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sx4 h ALA 145 CO -0.01 0.70 0.00 0.94 0.00 0.00 0.00 179.25 180.88 1sx4 n GLN 146 N -3.93 0.00 -0.02 0.00 -0.06 -0.39 0.84 117.38 113.81 1sx4 n GLN 146 Ca -0.05 0.86 0.00 0.00 -2.00 0.00 0.00 57.00 55.82 1sx4 n GLN 146 Cb 0.67 -1.43 0.30 0.00 -4.06 0.00 0.00 30.24 25.71 1sx4 n GLN 146 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 1sx4 h VAL 147 N 0.00 1.19 0.53 1.69 -1.51 -1.00 -1.19 116.25 115.95 1sx4 h VAL 147 Ca 0.00 -0.70 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 1sx4 h VAL 147 Cb 0.00 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1sx4 h VAL 147 CO 0.00 0.25 -0.40 1.23 -1.23 0.00 0.00 177.57 177.42 1sx4 h GLY 148 N 0.82 -1.03 0.80 5.19 0.00 -1.22 0.63 103.07 108.26 1sx4 h GLY 148 Ca 0.12 0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1sx4 h GLY 148 CO 0.00 -0.35 0.38 -0.91 0.00 0.00 0.00 176.54 175.66 1sx4 h THR 149 N -0.91 1.03 -0.92 4.70 1.35 0.10 0.59 112.91 118.84 1sx4 h THR 149 Ca -0.06 -0.25 0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1sx4 h THR 149 Cb 0.77 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 1sx4 h THR 149 CO 0.01 0.13 0.60 0.40 -0.25 0.00 0.00 175.52 176.41 1sx4 h ILE 150 N 0.73 1.24 0.00 6.82 2.04 -1.13 -1.66 117.51 125.55 1sx4 h ILE 150 Ca 0.27 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1sx4 h ILE 150 Cb 0.09 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1sx4 h ILE 150 CO -0.13 0.24 0.00 -1.28 0.00 0.00 0.00 178.15 176.98 1sx4 h SER 151 N 1.26 0.00 -0.42 1.72 0.87 0.38 -1.51 113.55 115.85 1sx4 h SER 151 Ca 0.34 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1sx4 h SER 151 Cb -0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1sx4 h SER 151 CO -0.07 0.00 0.03 0.00 -0.53 0.00 0.00 176.83 176.26 1sx4 n ALA 152 N -1.86 3.53 -2.18 6.23 0.00 0.08 -4.47 120.51 121.84 1sx4 n ALA 152 Ca 0.04 -2.25 -0.02 0.00 0.00 0.00 0.00 53.44 51.21 1sx4 n ALA 152 Cb 0.38 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.16 -4.31 -0.11 0.00 4.05 -0.57 -3.86 115.26 110.30 1sx4 n ASN 153 Ca 0.26 -0.11 -0.01 0.00 0.45 0.00 0.00 54.58 55.17 1sx4 n ASN 153 Cb 1.06 -2.73 -0.01 0.00 1.23 0.00 0.00 39.78 39.33 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 -1.58 -5.40 -4.44 1.20 7.64 -0.68 -4.91 113.62 105.45 1sx4 n SER 154 Ca -0.01 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 1sx4 n SER 154 Cb 0.51 -3.30 -0.04 0.00 -1.01 0.00 0.00 64.21 60.37 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 -1.87 6.22 0.54 6.43 -1.08 -1.23 -4.92 116.67 120.76 1sx4 s ASP 155 Ca 0.00 -1.16 0.21 0.00 -0.52 0.00 0.00 52.55 51.08 1sx4 s ASP 155 Cb 0.00 -2.40 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1sx4 s ASP 155 CO 0.00 -1.36 2.15 -0.33 0.52 0.00 0.00 175.17 176.15 1sx4 h GLU 156 N 9.44 0.00 -0.11 4.34 5.08 -1.91 -2.10 114.58 129.33 1sx4 h GLU 156 Ca -0.25 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1sx4 h GLU 156 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sx4 h GLU 156 CO 1.16 0.00 -0.35 1.79 -1.00 0.00 0.00 179.01 180.62 1sx4 h THR 157 N 0.00 1.28 -0.30 1.13 1.35 -1.98 -2.19 112.91 112.20 1sx4 h THR 157 Ca 0.04 -1.34 -0.13 0.00 -0.55 0.00 0.00 66.41 64.43 1sx4 h THR 157 Cb 0.16 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1sx4 h THR 157 CO -0.00 0.40 -0.30 0.58 -0.25 0.00 0.00 175.52 175.95 1sx4 h VAL 158 N 0.18 1.30 -0.44 6.82 2.07 -1.76 -1.96 116.25 122.46 1sx4 h VAL 158 Ca 0.02 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.15 1sx4 h VAL 158 Cb 0.71 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1sx4 h VAL 158 CO 0.05 0.47 0.03 1.23 0.02 0.00 0.00 177.57 179.38 1sx4 h GLY 159 N 0.49 0.47 0.34 2.17 0.00 -1.47 -2.54 103.07 102.54 1sx4 h GLY 159 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1sx4 h GLY 159 CO 0.08 -0.09 -0.41 1.70 0.00 0.00 0.00 176.54 177.81 1sx4 h LYS 160 N 0.15 -0.66 -0.99 4.80 3.64 -1.24 -1.41 116.57 120.85 1sx4 h LYS 160 Ca 0.22 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1sx4 h LYS 160 Cb 0.31 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1sx4 h LYS 160 CO -0.34 -0.44 0.64 -0.07 -2.27 0.00 0.00 179.45 176.97 1sx4 h LEU 161 N -0.69 1.00 0.33 5.20 4.07 -1.15 0.44 115.31 124.52 1sx4 h LEU 161 Ca 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1sx4 h LEU 161 Cb 0.69 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1sx4 h LEU 161 CO -0.21 0.62 -0.16 0.40 -1.08 0.00 0.00 178.44 178.02 1sx4 h ILE 162 N 1.13 0.66 -0.87 1.22 2.04 -1.39 -1.35 117.51 118.94 1sx4 h ILE 162 Ca 0.44 -0.55 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1sx4 h ILE 162 Cb 0.22 0.93 -0.14 0.00 -0.74 0.00 0.00 36.82 37.08 1sx4 h ILE 162 CO -0.19 0.10 0.19 0.00 0.00 0.00 0.00 178.15 178.26 1sx4 h ALA 163 N -0.25 1.22 -0.35 1.87 0.00 -0.50 -1.35 119.26 119.91 1sx4 h ALA 163 Ca -0.05 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 163 Cb 0.51 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sx4 h ALA 163 CO 0.07 -0.48 -0.15 0.93 0.00 0.00 0.00 179.25 179.63 1sx4 h GLU 164 N 0.18 0.71 0.58 0.00 5.08 0.10 -2.08 114.58 119.14 1sx4 h GLU 164 Ca 0.54 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1sx4 h GLU 164 Cb 1.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1sx4 h GLU 164 CO -0.68 0.90 -0.33 0.00 -1.00 0.00 0.00 179.01 177.91 1sx4 h ALA 165 N 0.79 -1.18 -0.98 3.43 0.00 -0.33 -2.13 119.26 118.85 1sx4 h ALA 165 Ca 0.08 -0.18 0.34 0.00 0.00 0.00 0.00 54.91 55.15 1sx4 h ALA 165 Cb 0.68 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1sx4 h ALA 165 CO 0.05 -1.14 0.45 0.52 0.00 0.00 0.00 179.25 179.13 1sx4 h MET 166 N -0.84 0.15 0.00 0.00 2.86 -1.34 1.04 114.93 116.80 1sx4 h MET 166 Ca -0.08 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1sx4 h MET 166 Cb 0.66 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1sx4 h MET 166 CO 0.10 0.10 -0.02 0.22 1.06 0.00 0.00 176.91 178.36 1sx4 h ASP 167 N 0.15 0.00 0.00 1.22 3.58 -1.05 0.48 116.42 120.79 1sx4 h ASP 167 Ca 0.74 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.80 1sx4 h ASP 167 Cb 1.77 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.75 1sx4 h ASP 167 CO -0.71 0.02 -2.44 0.29 -2.88 0.00 0.00 179.24 173.52 1sx4 n LYS 168 N -3.74 0.62 0.00 0.28 5.02 0.35 -4.66 118.16 116.04 1sx4 n LYS 168 Ca -0.03 0.16 0.04 0.00 -2.02 0.00 0.00 58.31 56.46 1sx4 n LYS 168 Cb 0.11 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1sx4 n LYS 168 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1sx4 n VAL 169 N -3.35 0.00 0.00 -0.18 3.14 -0.74 -5.11 118.33 112.10 1sx4 n VAL 169 Ca -0.46 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.43 1sx4 n VAL 169 Cb 0.96 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.92 1sx4 n VAL 169 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sx4 n GLY 170 N 0.52 2.22 0.00 7.55 0.00 0.17 -2.84 105.19 112.80 1sx4 n GLY 170 Ca 0.05 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 1.84 0.02 -0.06 1.61 5.02 -1.25 -2.99 118.16 122.35 1sx4 n LYS 171 Ca 0.00 0.33 -0.04 0.00 -2.02 0.00 0.00 58.31 56.58 1sx4 n LYS 171 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.47 0.37 0.00 1.97 4.71 -1.26 -5.03 120.64 119.93 1sx4 n GLU 172 Ca 0.02 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1sx4 n GLU 172 Cb 0.10 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1sx4 n GLU 172 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sx4 n GLY 173 N 1.63 0.00 3.64 0.62 0.00 -1.13 -4.71 105.19 105.24 1sx4 n GLY 173 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1sx4 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx4 s VAL 174 N 0.00 3.77 -0.22 1.61 1.01 -1.26 -4.88 120.40 120.44 1sx4 s VAL 174 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1sx4 s VAL 174 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1sx4 s VAL 174 CO 0.00 -0.21 -0.11 -0.63 0.00 0.00 0.00 175.10 174.16 1sx4 s ILE 175 N 4.55 2.68 0.40 2.22 1.01 -1.26 -0.43 121.20 130.37 1sx4 s ILE 175 Ca 0.69 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1sx4 s ILE 175 Cb -0.27 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 1sx4 s ILE 175 CO 0.27 0.36 0.06 0.42 0.00 0.00 0.00 174.94 176.05 1sx4 s THR 176 N 1.34 2.14 -0.07 2.92 -4.23 -0.56 -4.98 115.64 112.19 1sx4 s THR 176 Ca 0.03 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1sx4 s THR 176 Cb -0.15 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.72 1sx4 s THR 176 CO -0.07 -0.02 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.09 1sx4 s VAL 177 N -2.66 1.78 0.32 2.29 1.01 -1.26 -0.49 120.40 121.39 1sx4 s VAL 177 Ca 0.37 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1sx4 s VAL 177 Cb 0.07 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 1sx4 s VAL 177 CO 0.20 0.50 -0.13 -1.61 0.00 0.00 0.00 175.10 174.05 1sx4 s GLU 178 N 0.23 1.78 0.28 2.72 2.02 0.25 -4.94 118.70 121.04 1sx4 s GLU 178 Ca -0.12 -1.86 -0.30 0.00 0.02 0.00 0.00 54.97 52.71 1sx4 s GLU 178 Cb -0.15 -1.75 -0.11 0.00 0.10 0.00 0.00 34.13 32.22 1sx4 s GLU 178 CO 0.06 0.22 1.52 -0.51 0.02 0.00 0.00 175.26 176.57 1sx4 s ASP 179 N -3.58 6.48 0.35 -0.19 1.11 -1.26 -2.38 116.67 117.21 1sx4 s ASP 179 Ca 0.32 2.85 -0.17 0.00 0.18 0.00 0.00 52.55 55.73 1sx4 s ASP 179 Cb -0.01 -2.63 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 1sx4 s ASP 179 CO 0.16 -0.82 0.79 -0.83 1.18 0.00 0.00 175.17 175.65 1sx4 s GLY 180 N 0.37 2.35 -0.01 0.21 0.00 -0.47 -4.65 107.32 105.12 1sx4 s GLY 180 Ca 0.61 0.14 0.12 0.00 0.00 0.00 0.00 44.72 45.59 1sx4 s GLY 180 CO 0.47 0.36 0.42 -1.30 0.00 0.00 0.00 173.10 173.06 1sx4 n THR 181 N -0.43 0.00 -2.11 0.90 -2.24 -1.26 -4.86 114.28 104.28 1sx4 n THR 181 Ca 0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1sx4 n THR 181 Cb 0.53 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1sx4 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx4 n GLY 182 N 1.49 5.03 0.03 3.38 0.00 -1.26 -5.01 105.19 108.85 1sx4 n GLY 182 Ca 0.00 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.23 1sx4 n GLY 182 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sx4 n LEU 183 N 0.00 0.52 -4.76 0.99 7.94 -1.26 -3.68 117.00 116.75 1sx4 n LEU 183 Ca 0.00 -0.04 -0.40 0.00 -1.11 0.00 0.00 56.01 54.46 1sx4 n LEU 183 Cb 0.00 -0.05 -0.05 0.00 0.53 0.00 0.00 43.42 43.84 1sx4 n LEU 183 CO 0.00 0.03 0.47 -1.10 -1.11 0.00 0.00 177.39 175.68 1sx4 s GLN 184 N -3.28 4.51 0.54 1.96 -1.52 -1.26 -3.45 119.66 117.15 1sx4 s GLN 184 Ca 0.00 1.09 -0.20 0.00 -1.95 0.00 0.00 55.36 54.30 1sx4 s GLN 184 Cb 0.14 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.55 1sx4 s GLN 184 CO 0.84 0.39 1.16 -0.51 -0.25 0.00 0.00 175.29 176.92 1sx4 s ASP 185 N -0.45 5.69 0.04 5.90 1.01 -1.26 -3.65 116.67 123.94 1sx4 s ASP 185 Ca 0.37 2.26 0.03 0.00 0.71 0.00 0.00 52.55 55.93 1sx4 s ASP 185 Cb -0.21 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.11 1sx4 s ASP 185 CO 0.24 -1.25 -0.09 -1.61 0.21 0.00 0.00 175.17 172.67 1sx4 s GLU 186 N -3.17 0.63 -0.16 8.23 2.02 -0.89 -4.92 118.70 120.44 1sx4 s GLU 186 Ca 0.72 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1sx4 s GLU 186 Cb -0.27 -0.51 0.03 0.00 0.10 0.00 0.00 34.13 33.49 1sx4 s GLU 186 CO 0.30 0.11 -0.12 -1.17 0.02 0.00 0.00 175.26 174.41 1sx4 s LEU 187 N -1.26 1.77 -0.02 1.80 0.20 -1.26 -0.66 118.68 119.26 1sx4 s LEU 187 Ca -0.05 -0.59 0.05 0.00 0.69 0.00 0.00 54.13 54.24 1sx4 s LEU 187 Cb -0.08 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.54 1sx4 s LEU 187 CO 0.01 -0.10 -0.16 -1.81 -0.29 0.00 0.00 176.35 174.00 1sx4 s ASP 188 N 1.50 1.91 0.07 3.68 1.01 -0.48 -5.00 116.67 119.37 1sx4 s ASP 188 Ca 0.03 -0.30 -0.11 0.00 0.71 0.00 0.00 52.55 52.88 1sx4 s ASP 188 Cb -0.14 -0.29 -0.06 0.00 1.01 0.00 0.00 42.92 43.44 1sx4 s ASP 188 CO -0.10 0.18 0.42 0.68 0.21 0.00 0.00 175.17 176.56 1sx4 s VAL 189 N -0.27 5.06 -0.06 -1.27 -7.23 -1.26 0.21 120.40 115.58 1sx4 s VAL 189 Ca 0.04 0.55 -0.21 0.00 -1.81 0.00 0.00 61.98 60.55 1sx4 s VAL 189 Cb -0.07 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.25 1sx4 s VAL 189 CO -0.00 0.33 0.48 0.54 -0.31 0.00 0.00 175.10 176.14 1sx4 s VAL 190 N -1.35 0.03 0.15 1.32 0.11 -0.60 -4.96 120.40 115.10 1sx4 s VAL 190 Ca 0.32 -0.22 -0.34 0.00 -2.93 0.00 0.00 61.98 58.81 1sx4 s VAL 190 Cb -0.14 -0.77 -0.15 0.00 -1.53 0.00 0.00 36.38 33.79 1sx4 s VAL 190 CO 0.17 -0.12 1.38 -0.62 -3.33 0.00 0.00 175.10 172.58 1sx4 n GLU 191 N 1.43 1.58 -0.61 1.54 -0.58 -1.26 -1.31 120.64 121.43 1sx4 n GLU 191 Ca -0.19 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1sx4 n GLU 191 Cb 0.56 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1sx4 n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sx4 n GLY 192 N 2.60 -0.69 0.00 0.62 0.00 -1.26 -1.55 105.19 104.90 1sx4 n GLY 192 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1sx4 n GLY 192 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sx4 n MET 193 N 0.00 0.00 -3.78 1.61 1.56 -1.03 -4.49 117.12 110.98 1sx4 n MET 193 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 1sx4 n MET 193 Cb 0.00 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.25 1sx4 n MET 193 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1sx4 s GLN 194 N -2.00 0.24 0.03 2.12 0.74 -1.26 -1.20 119.66 118.33 1sx4 s GLN 194 Ca 0.00 0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.77 1sx4 s GLN 194 Cb 0.00 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 1sx4 s GLN 194 CO 0.00 -0.06 -0.06 -0.59 -0.55 0.00 0.00 175.29 174.03 1sx4 s PHE 195 N 0.34 0.53 -0.90 1.67 -0.71 0.24 -5.00 117.98 114.15 1sx4 s PHE 195 Ca -0.02 -0.39 -0.06 0.00 -1.04 0.00 0.00 56.93 55.43 1sx4 s PHE 195 Cb -0.03 -0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.40 1sx4 s PHE 195 CO -0.01 -0.08 2.09 -0.25 -1.34 0.00 0.00 175.22 175.63 1sx4 n ASP 196 N 1.89 4.84 -4.00 1.98 8.00 -1.26 -1.60 116.55 126.40 1sx4 n ASP 196 Ca -0.20 -2.32 -0.16 0.00 0.71 0.00 0.00 54.79 52.82 1sx4 n ASP 196 Cb 0.56 -1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 40.43 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 3.45 0.52 0.40 -1.24 1.81 -1.20 -4.89 118.95 117.80 1sx4 s ARG 197 Ca 0.39 -0.36 0.08 0.00 -1.72 0.00 0.00 55.73 54.11 1sx4 s ARG 197 Cb 0.10 -0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 1sx4 s ARG 197 CO -0.03 0.12 0.21 0.20 -0.68 0.00 0.00 175.30 175.12 1sx4 s GLY 198 N -0.50 2.21 0.50 -3.53 0.00 -1.26 -1.36 107.32 103.38 1sx4 s GLY 198 Ca -0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 44.72 42.51 1sx4 s GLY 198 CO -0.00 -1.83 0.84 1.58 0.00 0.00 0.00 173.10 173.69 1sx4 n TYR 199 N -1.28 0.50 1.27 1.90 0.18 -0.83 -4.33 117.16 114.56 1sx4 n TYR 199 Ca -0.01 0.50 0.13 0.00 1.88 0.00 0.00 57.90 60.41 1sx4 n TYR 199 Cb 0.63 -2.12 0.43 0.00 -0.38 0.00 0.00 39.34 37.90 1sx4 n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1sx4 n LEU 200 N 0.23 0.87 -3.64 -3.48 4.77 -0.89 -4.84 117.00 110.03 1sx4 n LEU 200 Ca 0.11 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1sx4 n LEU 200 Cb 0.43 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1sx4 n LEU 200 CO 0.53 0.17 0.41 -0.55 -1.33 0.00 0.00 177.39 176.62 1sx4 s SER 201 N -2.52 -0.85 0.65 -1.43 0.15 -1.26 -5.04 113.70 103.40 1sx4 s SER 201 Ca 0.25 1.40 0.42 0.00 0.70 0.00 0.00 55.95 58.72 1sx4 s SER 201 Cb 0.19 1.36 2.32 0.00 -1.71 0.00 0.00 66.02 68.18 1sx4 s SER 201 CO 0.52 -0.22 2.35 -0.65 1.20 0.00 0.00 173.24 176.43 1sx4 h PRO 202 N 6.49 0.00 0.00 5.44 0.11 -2.01 -2.00 132.00 140.03 1sx4 h PRO 202 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sx4 h PRO 202 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sx4 h PRO 202 CO 0.15 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.60 1sx4 n TYR 203 N -3.22 0.00 0.15 0.65 4.01 -1.26 -2.24 117.16 115.25 1sx4 n TYR 203 Ca -0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.73 1sx4 n TYR 203 Cb 0.08 -0.36 0.20 0.00 -0.31 0.00 0.00 39.34 38.95 1sx4 n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1sx4 h PHE 204 N 0.00 0.00 -1.60 -0.72 0.04 -1.70 -3.45 116.94 109.50 1sx4 h PHE 204 Ca 0.00 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.05 1sx4 h PHE 204 Cb 0.23 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.41 1sx4 h PHE 204 CO 0.00 0.53 0.74 -0.89 -0.60 0.00 0.00 178.31 178.09 1sx4 n ILE 205 N -3.56 0.20 0.48 -0.55 5.41 -0.95 -4.77 119.36 115.62 1sx4 n ILE 205 Ca -0.00 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1sx4 n ILE 205 Cb 0.61 -1.09 0.05 0.00 -0.71 0.00 0.00 39.64 38.50 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 4.35 1.94 -3.30 4.38 0.23 -1.20 -4.81 115.26 116.85 1sx4 n ASN 206 Ca 0.23 -1.47 -0.25 0.00 -0.53 0.00 0.00 54.58 52.56 1sx4 n ASN 206 Cb 0.15 0.02 -0.08 0.00 -2.08 0.00 0.00 39.78 37.79 1sx4 n ASN 206 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sx4 n LYS 207 N 0.62 0.77 0.11 -3.83 5.02 -1.08 -5.00 118.16 114.76 1sx4 n LYS 207 Ca 0.07 -3.39 0.05 0.00 -2.02 0.00 0.00 58.31 53.01 1sx4 n LYS 207 Cb 0.29 -1.49 0.25 0.00 -0.02 0.00 0.00 35.03 34.06 1sx4 n LYS 207 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1sx4 n PRO 208 N 1.81 0.06 0.16 1.97 -0.04 -1.26 -1.44 135.00 136.26 1sx4 n PRO 208 Ca 0.24 0.49 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 1sx4 n PRO 208 Cb 0.50 -1.94 0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1sx4 n PRO 208 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1sx4 h GLU 209 N 0.00 0.00 -0.01 0.54 3.07 -1.95 -2.52 114.58 113.71 1sx4 h GLU 209 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sx4 h GLU 209 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1sx4 h GLU 209 CO 0.00 0.13 -0.41 2.41 -1.40 0.00 0.00 179.01 179.74 1sx4 n THR 210 N -3.02 0.00 -3.99 1.13 -1.04 -0.52 -4.97 114.28 101.87 1sx4 n THR 210 Ca 0.02 -0.21 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 1sx4 n THR 210 Cb 0.60 0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 70.02 1sx4 n THR 210 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sx4 n GLY 211 N 1.39 -0.25 3.22 3.41 0.00 -0.95 -4.96 105.19 107.06 1sx4 n GLY 211 Ca 0.10 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.99 -0.42 -0.16 4.61 0.00 -1.24 -4.44 121.76 116.12 1sx4 s ALA 212 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 1sx4 s ALA 212 Cb -0.01 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1sx4 s ALA 212 CO 0.90 -0.47 0.05 0.08 0.00 0.00 0.00 175.76 176.32 1sx4 s VAL 213 N -3.33 4.68 -0.28 0.00 1.01 -0.57 -2.64 120.40 119.27 1sx4 s VAL 213 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1sx4 s VAL 213 Cb 0.02 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1sx4 s VAL 213 CO -0.08 0.49 0.08 -0.70 0.00 0.00 0.00 175.10 174.89 1sx4 s GLU 214 N 0.14 0.69 -0.10 2.72 2.12 -1.26 -0.59 118.70 122.42 1sx4 s GLU 214 Ca 0.04 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.46 1sx4 s GLU 214 Cb -0.12 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 1sx4 s GLU 214 CO 0.01 -0.90 0.01 -0.51 -0.54 0.00 0.00 175.26 173.32 1sx4 s LEU 215 N 1.70 3.60 -0.25 2.70 1.43 -0.72 -4.98 118.68 122.16 1sx4 s LEU 215 Ca 0.07 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1sx4 s LEU 215 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1sx4 s LEU 215 CO -0.22 0.35 -0.00 -1.61 0.23 0.00 0.00 176.35 175.09 1sx4 s GLU 216 N -0.68 3.18 -1.27 1.70 2.02 -1.26 -2.27 118.70 120.12 1sx4 s GLU 216 Ca 0.11 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1sx4 s GLU 216 Cb -0.12 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1sx4 s GLU 216 CO 0.02 -0.32 0.39 0.43 0.02 0.00 0.00 175.26 175.80 1sx4 n SER 217 N 4.80 -5.14 -4.78 -0.19 7.64 -1.09 -4.62 113.62 110.23 1sx4 n SER 217 Ca -0.16 -0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.19 1sx4 n SER 217 Cb 0.49 -4.04 -0.00 0.00 -1.01 0.00 0.00 64.21 59.65 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 -5.34 3.40 0.50 1.43 0.04 -1.20 -4.77 135.00 129.06 1sx4 s PRO 218 Ca 0.20 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 1sx4 s PRO 218 Cb -0.09 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1sx4 s PRO 218 CO 0.24 -0.78 0.99 -0.06 0.04 0.00 0.00 177.00 177.43 1sx4 s PHE 219 N -2.00 3.34 -0.20 0.56 0.08 -0.87 -3.11 117.98 115.78 1sx4 s PHE 219 Ca 0.69 1.52 0.01 0.00 0.12 0.00 0.00 56.93 59.27 1sx4 s PHE 219 Cb -0.20 -2.85 0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1sx4 s PHE 219 CO 0.28 -0.39 -0.11 0.42 -0.10 0.00 0.00 175.22 175.32 1sx4 s ILE 220 N -2.44 1.73 -0.14 0.64 1.01 0.28 -1.25 121.20 121.04 1sx4 s ILE 220 Ca 0.61 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1sx4 s ILE 220 Cb -0.11 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1sx4 s ILE 220 CO 0.26 0.17 0.98 -0.22 0.00 0.00 0.00 174.94 176.13 1sx4 s LEU 221 N 1.35 4.21 -0.76 2.97 2.96 0.58 0.18 118.68 130.17 1sx4 s LEU 221 Ca -0.02 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 1sx4 s LEU 221 Cb -0.16 -3.50 0.31 0.00 0.50 0.00 0.00 46.19 43.34 1sx4 s LEU 221 CO -0.08 -0.48 1.15 0.18 -1.32 0.00 0.00 176.35 175.80 1sx4 n LEU 222 N 5.27 5.17 -4.73 -0.68 4.77 -1.26 -0.96 117.00 124.58 1sx4 n LEU 222 Ca 0.09 -5.49 -0.40 0.00 -0.03 0.00 0.00 56.01 50.17 1sx4 n LEU 222 Cb 0.48 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1sx4 n LEU 222 CO 0.51 2.12 0.51 0.00 -1.33 0.00 0.00 177.39 179.20 1sx4 s ALA 223 N -3.29 3.30 -1.06 -1.18 0.00 -1.16 -2.48 121.76 115.90 1sx4 s ALA 223 Ca 0.42 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1sx4 s ALA 223 Cb 0.19 -3.08 0.29 0.00 0.00 0.00 0.00 23.12 20.52 1sx4 s ALA 223 CO -0.07 -0.05 1.28 -3.47 0.00 0.00 0.00 175.76 173.45 1sx4 n ASP 224 N 3.31 5.84 -3.68 0.00 2.03 -0.51 -3.26 116.55 120.29 1sx4 n ASP 224 Ca 0.00 -3.27 0.01 0.00 0.52 0.00 0.00 54.79 52.05 1sx4 n ASP 224 Cb 0.51 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1sx4 n ASP 224 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1sx4 s LYS 225 N -2.18 0.51 -0.17 -0.67 -2.85 -1.26 -3.90 119.74 109.22 1sx4 s LYS 225 Ca 0.31 -0.31 -0.22 0.00 -1.00 0.00 0.00 55.97 54.76 1sx4 s LYS 225 Cb -0.00 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1sx4 s LYS 225 CO 0.02 -0.24 0.66 0.15 0.10 0.00 0.00 175.35 176.05 1sx4 s LYS 226 N -2.28 4.27 -0.40 1.78 1.02 -1.26 -1.00 119.74 121.87 1sx4 s LYS 226 Ca 0.21 0.71 -0.17 0.00 0.02 0.00 0.00 55.97 56.74 1sx4 s LYS 226 Cb 0.02 -3.55 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1sx4 s LYS 226 CO -0.02 -0.18 0.42 0.42 -0.92 0.00 0.00 175.35 175.08 1sx4 s ILE 227 N 1.67 5.10 -0.16 2.17 1.01 -0.26 -4.90 121.20 125.84 1sx4 s ILE 227 Ca 0.31 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1sx4 s ILE 227 Cb -0.16 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1sx4 s ILE 227 CO 0.12 -0.34 -0.19 -1.20 0.00 0.00 0.00 174.94 173.33 1sx4 n SER 228 N 5.55 1.45 -4.85 3.58 7.64 -1.26 -0.50 113.62 125.23 1sx4 n SER 228 Ca -0.08 0.14 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 1sx4 n SER 228 Cb 0.48 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 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 -6.26 6.30 0.01 6.43 0.01 -1.26 -1.37 114.94 118.80 1sx4 s ASN 229 Ca -0.22 0.42 0.22 0.00 -0.71 0.00 0.00 52.86 52.58 1sx4 s ASN 229 Cb 0.08 -2.04 0.95 0.00 0.41 0.00 0.00 41.25 40.65 1sx4 s ASN 229 CO 0.30 0.38 1.72 0.00 -1.51 0.00 0.00 177.10 177.98 1sx4 n ILE 230 N 2.16 0.47 -0.09 0.60 3.06 -1.26 -3.46 119.36 120.84 1sx4 n ILE 230 Ca -0.19 0.11 -0.08 0.00 -2.50 0.00 0.00 62.75 60.08 1sx4 n ILE 230 Cb 0.55 -0.74 -0.01 0.00 0.54 0.00 0.00 39.64 39.98 1sx4 n ILE 230 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1sx4 h ARG 231 N 0.00 0.34 -0.06 9.51 3.08 -2.02 -2.00 114.38 123.23 1sx4 h ARG 231 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1sx4 h ARG 231 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1sx4 h ARG 231 CO 0.00 0.22 0.08 0.93 -1.07 0.00 0.00 179.97 180.13 1sx4 h GLU 232 N 0.35 0.00 0.23 0.04 5.08 -1.95 -3.17 114.58 115.16 1sx4 h GLU 232 Ca 0.13 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.16 1sx4 h GLU 232 Cb 0.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.30 1sx4 h GLU 232 CO -0.07 0.00 -1.47 0.52 -1.00 0.00 0.00 179.01 176.98 1sx4 h MET 233 N 0.00 0.48 -0.68 2.33 2.86 -1.55 -3.14 114.93 115.23 1sx4 h MET 233 Ca 0.03 -0.82 0.20 0.00 -2.06 0.00 0.00 59.70 57.05 1sx4 h MET 233 Cb 0.19 0.31 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1sx4 h MET 233 CO -0.00 1.39 0.60 -0.07 1.06 0.00 0.00 176.91 179.89 1sx4 h LEU 234 N 0.07 0.00 -0.43 1.22 3.38 -1.48 0.25 115.31 118.31 1sx4 h LEU 234 Ca -0.27 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1sx4 h LEU 234 Cb 2.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 1sx4 h LEU 234 CO 0.24 0.00 -0.23 1.55 0.09 0.00 0.00 178.44 180.09 1sx4 h PRO 235 N 0.00 0.92 0.02 1.13 0.13 -1.84 -3.13 132.00 129.24 1sx4 h PRO 235 Ca 0.32 -0.41 -0.27 0.00 -0.87 0.00 0.00 66.00 64.77 1sx4 h PRO 235 Cb 1.52 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.65 1sx4 h PRO 235 CO -0.00 1.07 -1.07 0.28 -0.23 0.00 0.00 178.00 178.05 1sx4 h VAL 236 N 0.75 1.29 0.00 1.56 2.07 -0.70 -2.91 116.25 118.31 1sx4 h VAL 236 Ca 0.09 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1sx4 h VAL 236 Cb 0.81 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1sx4 h VAL 236 CO 0.07 0.71 0.00 -0.07 0.02 0.00 0.00 177.57 178.30 1sx4 h LEU 237 N 0.36 0.00 0.12 2.57 3.38 -1.57 -2.12 115.31 118.04 1sx4 h LEU 237 Ca -0.13 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.55 1sx4 h LEU 237 Cb 1.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1sx4 h LEU 237 CO 0.21 0.00 -1.41 -0.33 0.09 0.00 0.00 178.44 177.00 1sx4 h GLU 238 N 0.00 0.25 -0.10 1.13 5.08 -1.50 -2.18 114.58 117.26 1sx4 h GLU 238 Ca 0.00 -0.43 -0.22 0.00 -1.00 0.00 0.00 59.36 57.71 1sx4 h GLU 238 Cb 0.35 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sx4 h GLU 238 CO 0.00 1.14 -0.83 0.00 -1.00 0.00 0.00 179.01 178.32 1sx4 h ALA 239 N 0.55 0.35 -0.16 3.43 0.00 -1.31 -2.91 119.26 119.22 1sx4 h ALA 239 Ca -0.19 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1sx4 h ALA 239 Cb 1.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1sx4 h ALA 239 CO 0.18 0.72 -0.02 0.28 0.00 0.00 0.00 179.25 180.40 1sx4 h VAL 240 N 0.43 1.27 -0.07 0.00 2.07 -1.51 -2.41 116.25 116.04 1sx4 h VAL 240 Ca -0.06 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1sx4 h VAL 240 Cb 1.45 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1sx4 h VAL 240 CO 0.16 0.27 0.05 0.00 0.02 0.00 0.00 177.57 178.07 1sx4 h ALA 241 N 0.74 2.00 0.11 1.67 0.00 -1.44 -2.71 119.26 119.61 1sx4 h ALA 241 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1sx4 h ALA 241 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sx4 h ALA 241 CO 0.01 -0.08 -1.32 0.87 0.00 0.00 0.00 179.25 178.73 1sx4 h LYS 242 N 0.00 0.22 0.00 0.00 1.57 -1.40 -3.03 116.57 113.93 1sx4 h LYS 242 Ca 0.03 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1sx4 h LYS 242 Cb 0.13 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1sx4 h LYS 242 CO -0.00 1.14 0.00 0.00 -0.57 0.00 0.00 179.45 180.02 1sx4 n ALA 243 N -2.55 2.46 -3.98 3.86 0.00 -0.92 -4.90 120.51 114.48 1sx4 n ALA 243 Ca -0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1sx4 n ALA 243 Cb 1.02 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 0.61 -0.47 3.26 0.00 0.00 -1.04 -4.98 105.19 102.57 1sx4 n GLY 244 Ca 0.18 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.68 1.08 0.98 1.61 1.02 -1.18 -5.08 119.74 111.51 1sx4 s LYS 245 Ca 0.65 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 1sx4 s LYS 245 Cb -0.33 -1.05 0.18 0.00 -0.52 0.00 0.00 37.83 36.10 1sx4 s LYS 245 CO 0.85 0.21 1.16 -1.25 -0.92 0.00 0.00 175.35 175.40 1sx4 s PRO 246 N -2.56 0.54 -0.05 -1.68 0.04 -1.26 -4.60 135.00 125.43 1sx4 s PRO 246 Ca 0.10 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.25 1sx4 s PRO 246 Cb -0.06 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1sx4 s PRO 246 CO 0.04 -2.57 0.11 -1.17 0.04 0.00 0.00 177.00 173.44 1sx4 s LEU 247 N -6.23 1.09 -0.21 -3.56 2.96 -1.14 -2.04 118.68 109.55 1sx4 s LEU 247 Ca 0.67 0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.73 1sx4 s LEU 247 Cb -0.13 0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.80 1sx4 s LEU 247 CO 0.54 -0.11 0.03 -0.22 -1.32 0.00 0.00 176.35 175.28 1sx4 s LEU 248 N 0.80 3.42 -0.21 -0.68 2.96 -0.38 -1.68 118.68 122.91 1sx4 s LEU 248 Ca -0.06 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.56 1sx4 s LEU 248 Cb -0.08 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1sx4 s LEU 248 CO -0.03 0.06 0.34 -0.63 -1.32 0.00 0.00 176.35 174.76 1sx4 s ILE 249 N 1.05 5.24 -0.61 6.68 -1.09 -0.04 -0.31 121.20 132.11 1sx4 s ILE 249 Ca 0.03 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 59.07 1sx4 s ILE 249 Cb -0.14 -3.67 0.16 0.00 -1.58 0.00 0.00 42.46 37.23 1sx4 s ILE 249 CO 0.02 0.27 0.41 -0.63 -1.23 0.00 0.00 174.94 173.79 1sx4 s ILE 250 N 1.25 2.38 0.53 2.92 1.01 -0.14 -1.26 121.20 127.89 1sx4 s ILE 250 Ca 0.16 -3.75 0.05 0.00 0.00 0.00 0.00 60.65 57.11 1sx4 s ILE 250 Cb -0.14 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1sx4 s ILE 250 CO 0.07 -0.99 0.34 0.00 0.00 0.00 0.00 174.94 174.36 1sx4 s ALA 251 N -0.90 4.33 0.24 9.38 0.00 -1.23 -2.98 121.76 130.60 1sx4 s ALA 251 Ca 0.24 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1sx4 s ALA 251 Cb -0.09 -0.63 0.43 0.00 0.00 0.00 0.00 23.12 22.83 1sx4 s ALA 251 CO -0.13 -0.37 1.76 1.49 0.00 0.00 0.00 175.76 178.52 1sx4 h GLU 252 N 0.87 0.57 -2.40 0.00 4.81 -1.05 0.10 114.58 117.49 1sx4 h GLU 252 Ca -0.38 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1sx4 h GLU 252 Cb 1.30 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 1sx4 h GLU 252 CO 0.60 0.38 0.50 0.34 -0.73 0.00 0.00 179.01 180.10 1sx4 s ASP 253 N -5.45 -0.13 -0.05 1.04 -1.08 -1.22 -3.89 116.67 105.89 1sx4 s ASP 253 Ca -0.12 -0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 51.41 1sx4 s ASP 253 Cb 0.20 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.19 1sx4 s ASP 253 CO 0.77 -0.95 0.02 -0.69 0.52 0.00 0.00 175.17 174.84 1sx4 s VAL 254 N -3.02 0.13 0.07 1.11 1.01 -1.26 -1.10 120.40 117.33 1sx4 s VAL 254 Ca 0.14 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1sx4 s VAL 254 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1sx4 s VAL 254 CO 0.03 0.19 -0.17 -1.61 0.00 0.00 0.00 175.10 173.55 1sx4 s GLU 255 N 1.76 2.00 0.00 2.72 2.02 0.34 -4.69 118.70 122.86 1sx4 s GLU 255 Ca 0.01 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1sx4 s GLU 255 Cb -0.13 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1sx4 s GLU 255 CO -0.03 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1sx4 n GLY 256 N 1.22 0.13 0.00 -1.39 0.00 -1.26 -2.24 105.19 101.66 1sx4 n GLY 256 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sx4 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sx4 n GLU 257 N 0.00 0.00 -0.05 1.61 0.00 -1.26 -0.49 120.64 120.45 1sx4 n GLU 257 Ca 0.00 0.63 0.17 0.00 0.00 0.00 0.00 57.16 57.96 1sx4 n GLU 257 Cb 0.00 -1.19 0.60 0.00 0.00 0.00 0.00 31.44 30.85 1sx4 n GLU 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sx4 h ALA 258 N -1.66 2.29 0.52 4.31 0.00 -0.76 -1.24 119.26 122.72 1sx4 h ALA 258 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 258 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sx4 h ALA 258 CO 0.00 -0.45 -0.25 1.25 0.00 0.00 0.00 179.25 179.80 1sx4 h LEU 259 N 0.19 -0.59 -2.44 0.00 5.85 -1.25 -1.35 115.31 115.72 1sx4 h LEU 259 Ca 0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1sx4 h LEU 259 Cb 0.85 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1sx4 h LEU 259 CO -0.05 -0.29 0.09 0.00 -0.34 0.00 0.00 178.44 177.86 1sx4 h ALA 260 N -1.42 1.09 0.24 1.25 0.00 -0.51 -0.95 119.26 118.96 1sx4 h ALA 260 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 260 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sx4 h ALA 260 CO 0.12 -0.09 -0.12 1.15 0.00 0.00 0.00 179.25 180.31 1sx4 h THR 261 N 0.00 0.23 -0.10 0.00 2.02 -1.14 -2.80 112.91 111.13 1sx4 h THR 261 Ca 0.00 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.33 1sx4 h THR 261 Cb 0.19 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1sx4 h THR 261 CO 0.00 0.07 0.07 -0.07 0.37 0.00 0.00 175.52 175.95 1sx4 h LEU 262 N -1.05 0.04 0.81 2.58 3.38 -0.79 0.05 115.31 120.33 1sx4 h LEU 262 Ca -0.03 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1sx4 h LEU 262 Cb 0.36 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1sx4 h LEU 262 CO 0.06 0.03 -0.39 0.58 0.09 0.00 0.00 178.44 178.80 1sx4 h VAL 263 N 0.05 0.20 0.00 1.22 2.07 -1.27 -1.90 116.25 116.61 1sx4 h VAL 263 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1sx4 h VAL 263 Cb 0.11 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1sx4 h VAL 263 CO -0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 1sx4 n VAL 264 N -5.56 0.82 0.12 2.57 0.31 -0.96 -1.63 118.33 113.98 1sx4 n VAL 264 Ca -0.15 0.20 0.02 0.00 -0.01 0.00 0.00 64.34 64.41 1sx4 n VAL 264 Cb 0.44 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1sx4 n VAL 264 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sx4 h ASN 265 N 0.00 0.00 0.00 4.52 -0.26 -0.56 -3.24 115.58 116.04 1sx4 h ASN 265 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1sx4 h ASN 265 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1sx4 h ASN 265 CO 0.00 0.49 -1.13 0.35 -1.06 0.00 0.00 177.43 176.08 1sx4 n THR 266 N -3.13 0.00 0.16 2.81 -2.24 -0.75 -1.69 114.28 109.44 1sx4 n THR 266 Ca -0.01 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1sx4 n THR 266 Cb 0.75 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.70 1sx4 n THR 266 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1sx4 h MET 267 N 0.00 -0.37 -0.08 -0.78 -1.53 -1.36 -2.97 114.93 107.84 1sx4 h MET 267 Ca 0.00 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1sx4 h MET 267 Cb 0.56 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.69 1sx4 h MET 267 CO 0.00 -0.14 0.00 0.54 0.14 0.00 0.00 176.91 177.45 1sx4 n ARG 268 N -5.19 1.46 -3.43 0.39 1.74 -1.22 -4.97 116.66 105.44 1sx4 n ARG 268 Ca -0.10 -0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 56.12 1sx4 n ARG 268 Cb 0.22 -1.39 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.03 -0.38 0.07 -0.13 0.00 -1.12 -4.97 105.19 99.70 1sx4 n GLY 269 Ca 0.17 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.09 1.46 -3.31 -0.61 2.04 -1.63 -3.44 117.51 109.92 1sx4 h ILE 270 Ca -0.55 -2.18 -0.45 0.00 1.00 0.00 0.00 64.86 62.67 1sx4 h ILE 270 Cb 1.33 2.84 -0.36 0.00 -0.74 0.00 0.00 36.82 39.89 1sx4 h ILE 270 CO 0.50 0.49 -0.78 -0.69 0.00 0.00 0.00 178.15 177.67 1sx4 s VAL 271 N -2.19 0.58 -0.06 1.67 1.01 -1.16 -5.03 120.40 115.21 1sx4 s VAL 271 Ca -0.19 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1sx4 s VAL 271 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1sx4 s VAL 271 CO 0.61 0.27 1.38 -0.54 0.00 0.00 0.00 175.10 176.82 1sx4 s LYS 272 N 1.53 4.26 0.05 2.72 3.01 -1.26 -3.95 119.74 126.10 1sx4 s LYS 272 Ca -0.01 1.89 -0.05 0.00 -1.01 0.00 0.00 55.97 56.79 1sx4 s LYS 272 Cb -0.13 -3.69 -0.02 0.00 -1.01 0.00 0.00 37.83 32.98 1sx4 s LYS 272 CO -0.04 -0.64 0.09 0.08 0.51 0.00 0.00 175.35 175.35 1sx4 s VAL 273 N 2.93 0.15 -0.03 3.17 1.01 -1.26 -2.86 120.40 123.51 1sx4 s VAL 273 Ca 0.62 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1sx4 s VAL 273 Cb -0.28 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1sx4 s VAL 273 CO 0.23 -0.68 0.36 0.00 0.00 0.00 0.00 175.10 175.01 1sx4 s ALA 274 N -3.06 -0.90 0.00 5.51 0.00 -0.68 -4.89 121.76 117.74 1sx4 s ALA 274 Ca -0.01 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1sx4 s ALA 274 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1sx4 s ALA 274 CO -0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 175.76 175.35 1sx4 s ALA 275 N -1.15 0.69 -0.01 0.00 0.00 -1.26 -0.86 121.76 119.16 1sx4 s ALA 275 Ca -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1sx4 s ALA 275 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1sx4 s ALA 275 CO 0.04 0.15 0.06 0.14 0.00 0.00 0.00 175.76 176.15 1sx4 s VAL 276 N -0.32 0.03 0.74 0.00 -7.23 -0.39 -2.10 120.40 111.13 1sx4 s VAL 276 Ca 0.02 -0.25 -0.16 0.00 -1.81 0.00 0.00 61.98 59.78 1sx4 s VAL 276 Cb -0.04 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1sx4 s VAL 276 CO -0.00 -0.14 0.95 0.29 -0.31 0.00 0.00 175.10 175.89 1sx4 n LYS 277 N 2.58 0.44 -1.88 4.82 5.02 -1.26 -3.55 118.16 124.33 1sx4 n LYS 277 Ca -0.16 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1sx4 n LYS 277 Cb 0.58 -2.21 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.87 2.83 0.42 7.82 0.00 0.02 -4.81 121.76 126.16 1sx4 s ALA 278 Ca 0.72 0.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 1sx4 s ALA 278 Cb -0.34 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1sx4 s ALA 278 CO 0.51 -0.86 1.16 -1.25 0.00 0.00 0.00 175.76 175.32 1sx4 s PRO 279 N -4.66 3.97 0.36 0.00 0.04 -1.26 -4.88 135.00 128.57 1sx4 s PRO 279 Ca 0.59 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1sx4 s PRO 279 Cb -0.13 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1sx4 s PRO 279 CO 0.46 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1sx4 n GLY 280 N 0.56 -2.25 3.08 0.56 0.00 -1.26 -4.62 105.19 101.26 1sx4 n GLY 280 Ca 0.05 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1sx4 n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sx4 s PHE 281 N -2.65 0.83 0.00 1.61 -0.71 -1.26 -4.70 117.98 111.09 1sx4 s PHE 281 Ca 0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1sx4 s PHE 281 Cb 0.00 -0.49 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1sx4 s PHE 281 CO 0.00 -0.03 0.00 0.41 -1.34 0.00 0.00 175.22 174.26 1sx4 n GLY 282 N 1.69 1.99 0.14 1.99 0.00 -1.26 -3.83 105.19 105.90 1sx4 n GLY 282 Ca -0.20 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.21 0.18 1.61 3.32 -2.02 -3.15 116.42 116.14 1sx4 h ASP 283 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1sx4 h ASP 283 Cb 0.00 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1sx4 h ASP 283 CO 0.00 0.13 0.00 -2.11 -1.72 0.00 0.00 179.24 175.54 1sx4 n ARG 284 N -5.06 0.45 -0.04 3.56 1.85 -1.25 -3.20 116.66 112.98 1sx4 n ARG 284 Ca -0.09 0.05 -0.13 0.00 -1.00 0.00 0.00 57.85 56.68 1sx4 n ARG 284 Cb 0.23 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.06 1sx4 n ARG 284 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1sx4 h ARG 285 N 0.00 0.20 -0.60 2.89 2.43 -1.66 -2.60 114.38 115.04 1sx4 h ARG 285 Ca 0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1sx4 h ARG 285 Cb 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1sx4 h ARG 285 CO 0.00 0.61 0.02 0.87 -1.51 0.00 0.00 179.97 179.96 1sx4 h LYS 286 N -0.20 1.03 -0.29 0.20 1.57 -1.69 0.21 116.57 117.39 1sx4 h LYS 286 Ca 0.02 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1sx4 h LYS 286 Cb 0.56 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1sx4 h LYS 286 CO 0.02 0.99 0.19 0.00 -0.57 0.00 0.00 179.45 180.08 1sx4 h ALA 287 N 1.06 0.37 -0.17 3.86 0.00 -1.69 -2.00 119.26 120.69 1sx4 h ALA 287 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1sx4 h ALA 287 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sx4 h ALA 287 CO 0.03 -0.18 -0.32 0.52 0.00 0.00 0.00 179.25 179.30 1sx4 h MET 288 N 0.38 0.33 -0.31 0.00 2.86 -0.91 -2.21 114.93 115.07 1sx4 h MET 288 Ca 0.11 -0.13 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 1sx4 h MET 288 Cb -0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1sx4 h MET 288 CO -0.04 0.62 -0.41 1.25 1.06 0.00 0.00 176.91 179.39 1sx4 h LEU 289 N 0.29 0.90 -1.69 1.22 6.46 -0.57 -2.78 115.31 119.14 1sx4 h LEU 289 Ca 0.04 -0.50 0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1sx4 h LEU 289 Cb 0.71 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1sx4 h LEU 289 CO 0.05 1.22 0.35 -0.61 -0.62 0.00 0.00 178.44 178.83 1sx4 h GLN 290 N 0.60 0.36 -0.32 1.25 5.75 -1.00 -2.02 115.11 119.73 1sx4 h GLN 290 Ca 0.04 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1sx4 h GLN 290 Cb 1.01 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 1sx4 h GLN 290 CO 0.10 0.24 -0.24 -0.44 -2.65 0.00 0.00 178.83 175.83 1sx4 h ASP 291 N 0.37 0.64 0.30 -0.69 5.19 -1.12 -1.27 116.42 119.84 1sx4 h ASP 291 Ca 0.23 -0.23 -0.18 0.00 -0.62 0.00 0.00 57.03 56.24 1sx4 h ASP 291 Cb 0.44 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1sx4 h ASP 291 CO -0.06 0.87 -0.72 0.40 -3.12 0.00 0.00 179.24 176.61 1sx4 h ILE 292 N 0.55 1.39 0.41 0.35 2.04 -1.32 -2.19 117.51 118.74 1sx4 h ILE 292 Ca 0.08 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 1sx4 h ILE 292 Cb 0.71 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1sx4 h ILE 292 CO 0.05 0.64 -0.41 0.00 0.00 0.00 0.00 178.15 178.44 1sx4 h ALA 293 N 0.98 -1.08 -1.03 1.87 0.00 -0.96 -1.30 119.26 117.74 1sx4 h ALA 293 Ca -0.03 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 293 Cb 1.29 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 1sx4 h ALA 293 CO 0.12 -1.10 0.62 1.15 0.00 0.00 0.00 179.25 180.04 1sx4 h THR 294 N -0.81 0.42 -0.31 0.00 2.02 -1.21 0.22 112.91 113.24 1sx4 h THR 294 Ca -0.05 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.83 1sx4 h THR 294 Cb 0.70 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1sx4 h THR 294 CO -0.05 0.08 -0.42 0.25 0.37 0.00 0.00 175.52 175.75 1sx4 h LEU 295 N 0.42 0.81 -2.83 2.58 7.12 -0.83 -3.19 115.31 119.41 1sx4 h LEU 295 Ca 0.68 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 58.31 1sx4 h LEU 295 Cb 1.53 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1sx4 h LEU 295 CO -0.48 1.12 0.00 0.35 -0.13 0.00 0.00 178.44 179.30 1sx4 n THR 296 N -4.03 0.99 -4.00 1.05 -2.24 -0.54 -2.42 114.28 103.09 1sx4 n THR 296 Ca -0.02 -1.00 -0.32 0.00 -2.27 0.00 0.00 64.05 60.44 1sx4 n THR 296 Cb 0.55 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.96 -0.48 3.97 3.38 0.00 0.61 -1.74 105.19 111.90 1sx4 n GLY 297 Ca 0.17 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.23 1.71 -0.16 -0.02 0.00 -0.26 -4.63 107.32 100.73 1sx4 s GLY 298 Ca 0.68 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 1sx4 s GLY 298 CO 0.84 -1.06 0.03 -1.59 0.00 0.00 0.00 173.10 171.32 1sx4 s THR 299 N -2.58 4.51 -0.05 0.90 2.01 0.24 -4.48 115.64 116.20 1sx4 s THR 299 Ca 0.52 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.11 1sx4 s THR 299 Cb -0.10 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1sx4 s THR 299 CO 0.37 0.50 0.84 -0.69 -0.69 0.00 0.00 174.62 174.95 1sx4 s VAL 300 N 0.12 4.95 -0.95 3.82 1.01 -1.26 -4.47 120.40 123.61 1sx4 s VAL 300 Ca 0.03 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 1sx4 s VAL 300 Cb -0.13 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.28 1sx4 s VAL 300 CO 0.01 0.18 0.99 -0.63 0.00 0.00 0.00 175.10 175.66 1sx4 s ILE 301 N 1.04 5.45 -0.30 2.22 1.01 -1.03 -4.96 121.20 124.63 1sx4 s ILE 301 Ca 0.44 -2.50 -0.16 0.00 0.00 0.00 0.00 60.65 58.43 1sx4 s ILE 301 Cb -0.19 -4.61 -0.02 0.00 0.01 0.00 0.00 42.46 37.64 1sx4 s ILE 301 CO 0.22 -1.23 0.43 -0.94 0.00 0.00 0.00 174.94 173.42 1sx4 s SER 302 N 2.37 6.29 0.65 3.58 1.04 -1.26 -1.42 113.70 124.95 1sx4 s SER 302 Ca 0.26 0.17 0.29 0.00 0.48 0.00 0.00 55.95 57.16 1sx4 s SER 302 Cb -0.08 -2.23 1.59 0.00 0.10 0.00 0.00 66.02 65.39 1sx4 s SER 302 CO -0.08 -0.30 1.91 -0.33 0.98 0.00 0.00 173.24 175.42 1sx4 h GLU 303 N 8.26 0.00 0.00 4.02 5.08 -1.75 -2.05 114.58 128.15 1sx4 h GLU 303 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1sx4 h GLU 303 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sx4 h GLU 303 CO 0.70 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.10 1sx4 n GLU 304 N -3.05 0.99 0.00 2.33 1.02 -1.26 -2.51 120.64 118.15 1sx4 n GLU 304 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sx4 n GLU 304 Cb 0.43 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1sx4 n GLU 304 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sx4 n ILE 305 N -0.59 0.00 -0.15 -3.67 5.41 -0.77 -5.05 119.36 114.54 1sx4 n ILE 305 Ca 0.04 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1sx4 n ILE 305 Cb 0.02 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.03 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 0.51 1.54 3.18 7.39 0.00 -1.05 -5.09 105.19 111.67 1sx4 n GLY 306 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.86 3.09 0.59 1.61 -1.94 -1.25 -5.06 119.30 115.47 1sx4 s MET 307 Ca 0.00 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1sx4 s MET 307 Cb 0.00 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 34.14 1sx4 s MET 307 CO 0.00 -0.22 0.90 -1.21 -0.01 0.00 0.00 175.02 174.48 1sx4 s GLU 308 N 1.34 2.85 0.05 2.03 2.02 -1.26 -4.28 118.70 121.45 1sx4 s GLU 308 Ca 0.05 -0.07 0.25 0.00 0.02 0.00 0.00 54.97 55.22 1sx4 s GLU 308 Cb -0.14 -2.28 1.02 0.00 0.10 0.00 0.00 34.13 32.83 1sx4 s GLU 308 CO -0.10 -0.73 1.79 1.28 0.02 0.00 0.00 175.26 177.52 1sx4 n LEU 309 N -2.58 0.17 0.20 1.80 4.77 -1.26 -2.70 117.00 117.39 1sx4 n LEU 309 Ca 0.05 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.60 1sx4 n LEU 309 Cb 0.58 -0.48 0.42 0.00 -2.33 0.00 0.00 43.42 41.61 1sx4 n LEU 309 CO 0.52 -0.12 0.75 -0.33 -1.33 0.00 0.00 177.39 176.88 1sx4 h GLU 310 N 0.00 0.00 -2.84 3.23 3.07 -1.90 -3.27 114.58 112.88 1sx4 h GLU 310 Ca 0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.13 1sx4 h GLU 310 Cb 0.47 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.05 1sx4 h GLU 310 CO 0.00 0.33 0.21 1.63 -1.40 0.00 0.00 179.01 179.79 1sx4 n LYS 311 N -3.82 3.53 -3.41 2.33 5.02 -1.10 -4.90 118.16 115.81 1sx4 n LYS 311 Ca -0.01 -4.57 -0.09 0.00 -2.02 0.00 0.00 58.31 51.62 1sx4 n LYS 311 Cb 0.41 -2.42 -0.08 0.00 -0.02 0.00 0.00 35.03 32.92 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 -2.34 -1.12 0.52 7.82 0.00 -1.23 -4.69 121.76 120.72 1sx4 s ALA 312 Ca 0.33 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1sx4 s ALA 312 Cb 0.04 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1sx4 s ALA 312 CO 0.02 -1.15 0.71 0.95 0.00 0.00 0.00 175.76 176.29 1sx4 s THR 313 N 2.56 2.53 0.28 0.00 -4.23 -1.26 -4.31 115.64 111.22 1sx4 s THR 313 Ca 0.10 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1sx4 s THR 313 Cb -0.15 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.43 1sx4 s THR 313 CO -0.15 0.00 1.65 -0.07 -0.54 0.00 0.00 174.62 175.51 1sx4 h LEU 314 N 0.32 -0.00 -0.70 4.79 3.38 -1.95 0.64 115.31 121.79 1sx4 h LEU 314 Ca -0.35 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sx4 h LEU 314 Cb 1.28 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1sx4 h LEU 314 CO 0.43 -0.14 0.67 -0.08 0.09 0.00 0.00 178.44 179.42 1sx4 h GLU 315 N 0.22 0.00 0.11 1.13 4.81 -2.00 0.13 114.58 118.97 1sx4 h GLU 315 Ca 0.53 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.42 1sx4 h GLU 315 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1sx4 h GLU 315 CO -0.64 0.00 -1.85 -0.44 -0.73 0.00 0.00 179.01 175.35 1sx4 h ASP 316 N 0.00 0.35 -3.64 1.04 3.32 -1.24 -3.44 116.42 112.82 1sx4 h ASP 316 Ca 0.00 -0.71 -0.53 0.00 0.02 0.00 0.00 57.03 55.81 1sx4 h ASP 316 Cb 1.35 -0.11 0.07 0.00 0.22 0.00 0.00 39.33 40.86 1sx4 h ASP 316 CO 0.00 1.63 0.75 -0.76 -1.72 0.00 0.00 179.24 179.13 1sx4 s LEU 317 N -6.87 4.38 0.00 1.55 1.02 0.45 0.83 118.68 120.04 1sx4 s LEU 317 Ca -0.16 2.79 -0.16 0.00 0.02 0.00 0.00 54.13 56.62 1sx4 s LEU 317 Cb 0.07 -3.64 0.23 0.00 0.02 0.00 0.00 46.19 42.87 1sx4 s LEU 317 CO 0.80 -0.72 0.94 0.61 0.02 0.00 0.00 176.35 178.00 1sx4 n GLY 318 N 1.42 -2.41 3.60 -3.19 0.00 0.48 -4.54 105.19 100.55 1sx4 n GLY 318 Ca 0.04 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1sx4 n GLY 318 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sx4 s GLN 319 N -5.11 0.71 0.05 1.61 0.74 -0.71 0.10 119.66 117.05 1sx4 s GLN 319 Ca 0.59 1.13 -0.03 0.00 0.05 0.00 0.00 55.36 57.10 1sx4 s GLN 319 Cb -0.05 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 1sx4 s GLN 319 CO 0.44 -0.14 0.03 0.00 -0.55 0.00 0.00 175.29 175.08 1sx4 s ALA 320 N 1.31 0.20 -0.79 1.58 0.00 -1.18 -1.66 121.76 121.23 1sx4 s ALA 320 Ca -0.08 -0.87 0.26 0.00 0.00 0.00 0.00 51.96 51.27 1sx4 s ALA 320 Cb -0.05 0.28 0.94 0.00 0.00 0.00 0.00 23.12 24.28 1sx4 s ALA 320 CO -0.14 -0.35 1.79 1.63 0.00 0.00 0.00 175.76 178.69 1sx4 n LYS 321 N 0.46 0.17 -3.54 0.00 5.02 0.26 -3.25 118.16 117.28 1sx4 n LYS 321 Ca -0.17 0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1sx4 n LYS 321 Cb 0.60 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1sx4 n LYS 321 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1sx4 s ARG 322 N -3.10 0.80 -0.07 1.97 3.52 -0.97 -2.68 118.95 118.43 1sx4 s ARG 322 Ca 0.10 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 1sx4 s ARG 322 Cb 0.13 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1sx4 s ARG 322 CO 0.53 -0.28 0.23 0.14 -0.81 0.00 0.00 175.30 175.10 1sx4 s VAL 323 N -1.74 0.02 -0.07 7.11 -7.23 -0.96 -0.66 120.40 116.87 1sx4 s VAL 323 Ca -0.02 -0.16 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1sx4 s VAL 323 Cb -0.00 -0.38 0.02 0.00 0.56 0.00 0.00 36.38 36.58 1sx4 s VAL 323 CO 0.00 -0.09 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.97 1sx4 s VAL 324 N -0.26 0.67 0.09 1.32 1.01 -0.60 -1.76 120.40 120.88 1sx4 s VAL 324 Ca -0.04 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1sx4 s VAL 324 Cb -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1sx4 s VAL 324 CO 0.01 0.29 -0.26 0.27 0.00 0.00 0.00 175.10 175.41 1sx4 s ILE 325 N 1.45 2.11 0.46 2.22 -0.00 0.24 -1.81 121.20 125.88 1sx4 s ILE 325 Ca -0.02 -1.58 0.03 0.00 -0.00 0.00 0.00 60.65 59.08 1sx4 s ILE 325 Cb -0.13 -1.85 0.03 0.00 -0.00 0.00 0.00 42.46 40.50 1sx4 s ILE 325 CO -0.04 0.17 0.22 0.59 -0.00 0.00 0.00 174.94 175.88 1sx4 n ASN 326 N 1.27 2.76 -0.30 4.36 3.02 0.17 -1.52 115.26 125.02 1sx4 n ASN 326 Ca -0.18 -2.72 0.14 0.00 -0.03 0.00 0.00 54.58 51.79 1sx4 n ASN 326 Cb 0.53 0.09 0.27 0.00 -0.61 0.00 0.00 39.78 40.06 1sx4 n ASN 326 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1sx4 n LYS 327 N -1.41 -0.07 -0.35 3.52 4.81 -1.26 -1.97 118.16 121.43 1sx4 n LYS 327 Ca -0.08 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.67 1sx4 n LYS 327 Cb 0.54 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1sx4 n LYS 327 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1sx4 n ASP 328 N -5.26 0.00 -3.95 3.14 5.68 -1.26 -4.10 116.55 110.79 1sx4 n ASP 328 Ca 0.21 -1.47 -0.17 0.00 -0.50 0.00 0.00 54.79 52.86 1sx4 n ASP 328 Cb 0.69 -0.09 -0.15 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.00 0.50 -0.15 2.12 2.01 -1.20 -3.21 115.64 115.70 1sx4 s THR 329 Ca 0.00 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1sx4 s THR 329 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1sx4 s THR 329 CO 0.00 0.16 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.08 1sx4 s THR 330 N 0.11 2.99 -0.07 -0.82 2.01 -0.47 -0.66 115.64 118.74 1sx4 s THR 330 Ca -0.01 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 1sx4 s THR 330 Cb -0.05 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1sx4 s THR 330 CO -0.00 0.50 -0.02 0.28 -0.69 0.00 0.00 174.62 174.69 1sx4 s THR 331 N 0.69 0.50 -0.31 -0.82 -1.32 -0.75 -0.59 115.64 113.04 1sx4 s THR 331 Ca -0.06 -0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.33 1sx4 s THR 331 Cb -0.15 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1sx4 s THR 331 CO 0.02 0.26 0.13 -0.63 -2.21 0.00 0.00 174.62 172.19 1sx4 s ILE 332 N 1.58 4.39 -0.23 5.08 1.01 -0.34 -1.56 121.20 131.13 1sx4 s ILE 332 Ca -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1sx4 s ILE 332 Cb -0.13 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1sx4 s ILE 332 CO -0.04 0.05 0.01 -0.63 0.00 0.00 0.00 174.94 174.33 1sx4 s ILE 333 N 1.57 3.81 -0.32 2.92 1.01 0.17 -2.46 121.20 127.89 1sx4 s ILE 333 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1sx4 s ILE 333 Cb -0.17 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1sx4 s ILE 333 CO 0.05 0.39 0.23 -0.67 0.00 0.00 0.00 174.94 174.94 1sx4 n ASP 334 N 4.80 -7.31 -4.78 3.58 2.03 -0.60 -1.56 116.55 112.71 1sx4 n ASP 334 Ca -0.17 0.93 -0.38 0.00 0.52 0.00 0.00 54.79 55.68 1sx4 n ASP 334 Cb 0.51 -4.87 -0.06 0.00 -0.72 0.00 0.00 41.12 35.99 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 -1.87 2.55 0.51 0.27 0.00 -0.83 -0.57 107.32 107.38 1sx4 s GLY 335 Ca 0.10 -0.07 0.30 0.00 0.00 0.00 0.00 44.72 45.05 1sx4 s GLY 335 CO 0.69 0.58 1.95 -2.08 0.00 0.00 0.00 173.10 174.24 1sx4 h VAL 336 N 4.07 0.27 -1.46 1.40 2.07 -1.43 -3.45 116.25 117.71 1sx4 h VAL 336 Ca -0.46 -0.72 -0.72 0.00 0.82 0.00 0.00 66.70 65.61 1sx4 h VAL 336 Cb 1.20 1.57 0.05 0.00 -1.52 0.00 0.00 31.29 32.59 1sx4 h VAL 336 CO 0.68 0.10 0.37 0.61 0.02 0.00 0.00 177.57 179.35 1sx4 n GLY 337 N -0.04 0.26 3.84 2.17 0.00 -1.02 -4.81 105.19 105.60 1sx4 n GLY 337 Ca 0.00 0.74 -0.32 0.00 0.00 0.00 0.00 46.02 46.44 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 0.57 3.65 0.40 1.61 2.02 -1.26 -4.78 118.70 120.91 1sx4 s GLU 338 Ca 0.88 0.95 0.19 0.00 0.02 0.00 0.00 54.97 57.00 1sx4 s GLU 338 Cb -1.07 -2.09 0.81 0.00 0.10 0.00 0.00 34.13 31.89 1sx4 s GLU 338 CO 0.52 -0.52 1.81 0.93 0.02 0.00 0.00 175.26 178.02 1sx4 h GLU 339 N 0.37 0.00 -0.56 1.61 4.39 -1.96 -0.10 114.58 118.34 1sx4 h GLU 339 Ca -0.46 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.35 1sx4 h GLU 339 Cb 1.19 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.74 1sx4 h GLU 339 CO 0.60 0.34 -0.15 0.00 -1.16 0.00 0.00 179.01 178.65 1sx4 h ALA 340 N 1.66 0.36 -0.00 3.43 0.00 -2.00 -2.24 119.26 120.47 1sx4 h ALA 340 Ca -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1sx4 h ALA 340 Cb 0.75 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sx4 h ALA 340 CO 0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 179.25 178.78 1sx4 h ALA 341 N 1.54 0.01 -0.53 0.00 0.00 -1.77 -3.06 119.26 115.46 1sx4 h ALA 341 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sx4 h ALA 341 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1sx4 h ALA 341 CO -0.58 -0.06 0.31 0.82 0.00 0.00 0.00 179.25 179.74 1sx4 h ILE 342 N -0.67 1.17 -0.28 0.00 2.04 -1.03 0.13 117.51 118.87 1sx4 h ILE 342 Ca -0.01 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1sx4 h ILE 342 Cb 0.82 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1sx4 h ILE 342 CO 0.01 0.17 0.03 -0.61 0.00 0.00 0.00 178.15 177.76 1sx4 h GLN 343 N 0.71 0.47 -1.00 2.37 5.75 -1.57 -2.76 115.11 119.07 1sx4 h GLN 343 Ca 0.19 -0.14 0.16 0.00 -0.15 0.00 0.00 58.65 58.72 1sx4 h GLN 343 Cb 0.00 -0.05 -0.10 0.00 1.07 0.00 0.00 27.48 28.40 1sx4 h GLN 343 CO -0.03 0.60 0.62 0.78 -2.65 0.00 0.00 178.83 178.15 1sx4 h GLY 344 N 0.28 1.74 1.37 2.39 0.00 -1.28 -1.02 103.07 106.55 1sx4 h GLY 344 Ca 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1sx4 h GLY 344 CO 0.01 0.02 -0.22 -0.09 0.00 0.00 0.00 176.54 176.26 1sx4 h ARG 345 N 0.85 0.73 -0.67 4.80 9.65 -0.84 -1.62 114.38 127.28 1sx4 h ARG 345 Ca 0.55 -0.29 -0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1sx4 h ARG 345 Cb 0.75 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 1sx4 h ARG 345 CO -0.34 0.89 0.18 0.28 2.80 0.00 0.00 179.97 183.77 1sx4 h VAL 346 N 0.64 1.26 -0.47 0.20 2.07 -1.02 -0.66 116.25 118.27 1sx4 h VAL 346 Ca 0.09 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1sx4 h VAL 346 Cb 0.71 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1sx4 h VAL 346 CO 0.05 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.13 1sx4 h ALA 347 N 1.07 1.35 0.69 1.67 0.00 -0.97 0.44 119.26 123.50 1sx4 h ALA 347 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 347 Cb 0.35 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sx4 h ALA 347 CO -0.00 0.47 -0.33 1.96 0.00 0.00 0.00 179.25 181.35 1sx4 h GLN 348 N 0.68 -0.89 -0.91 0.00 4.20 -0.98 -3.07 115.11 114.14 1sx4 h GLN 348 Ca 0.16 0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1sx4 h GLN 348 Cb 0.23 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1sx4 h GLN 348 CO -0.01 -0.57 0.61 0.82 -0.67 0.00 0.00 178.83 179.01 1sx4 h ILE 349 N -1.15 1.23 -0.48 2.54 2.04 -1.03 -2.27 117.51 118.40 1sx4 h ILE 349 Ca -0.09 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1sx4 h ILE 349 Cb 0.74 -0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 1sx4 h ILE 349 CO 0.16 0.22 -0.54 -0.09 0.00 0.00 0.00 178.15 177.90 1sx4 h ARG 350 N 1.23 -0.33 -0.54 2.37 9.65 -0.19 -1.50 114.38 125.07 1sx4 h ARG 350 Ca 0.34 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.31 1sx4 h ARG 350 Cb -0.14 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1sx4 h ARG 350 CO -0.07 -0.22 0.36 1.96 2.80 0.00 0.00 179.97 184.80 1sx4 h GLN 351 N -0.34 0.44 0.00 0.20 4.20 -1.32 -1.56 115.11 116.72 1sx4 h GLN 351 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1sx4 h GLN 351 Cb 0.58 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sx4 h GLN 351 CO -0.63 0.29 -0.03 1.96 -0.67 0.00 0.00 178.83 179.75 1sx4 h GLN 352 N 0.45 0.00 0.00 1.46 4.20 -0.98 -0.77 115.11 119.47 1sx4 h GLN 352 Ca 0.24 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1sx4 h GLN 352 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1sx4 h GLN 352 CO -0.06 0.03 -0.29 0.82 -0.67 0.00 0.00 178.83 178.65 1sx4 h ILE 353 N 0.00 1.00 -0.24 2.54 2.04 -1.09 -2.97 117.51 118.80 1sx4 h ILE 353 Ca -0.00 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.64 1sx4 h ILE 353 Cb 0.05 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1sx4 h ILE 353 CO 0.00 0.28 -0.44 -0.33 0.00 0.00 0.00 178.15 177.67 1sx4 h GLU 354 N 0.00 0.72 -1.32 2.37 4.39 -1.23 -3.01 114.58 116.50 1sx4 h GLU 354 Ca -0.00 -0.45 -0.24 0.00 0.34 0.00 0.00 59.36 59.00 1sx4 h GLU 354 Cb 0.59 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 1sx4 h GLU 354 CO 0.04 1.07 0.31 0.39 -1.16 0.00 0.00 179.01 179.66 1sx4 n GLU 355 N -4.17 1.59 -3.58 2.33 1.02 -1.12 -4.83 120.64 111.88 1sx4 n GLU 355 Ca -0.05 -1.25 -0.36 0.00 -0.02 0.00 0.00 57.16 55.47 1sx4 n GLU 355 Cb 0.56 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.42 3.61 -0.45 0.62 0.00 -1.14 -4.96 121.76 118.03 1sx4 s ALA 356 Ca 0.24 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.80 1sx4 s ALA 356 Cb 0.20 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1sx4 s ALA 356 CO 0.02 0.12 0.39 0.25 0.00 0.00 0.00 175.76 176.54 1sx4 n THR 357 N 3.52 0.00 -4.42 0.00 -2.24 -1.26 -5.02 114.28 104.85 1sx4 n THR 357 Ca -0.13 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.14 1sx4 n THR 357 Cb 0.52 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.82 3.23 0.03 3.42 0.15 -1.26 -5.07 113.70 112.37 1sx4 s SER 358 Ca 0.04 -1.01 -0.16 0.00 0.70 0.00 0.00 55.95 55.51 1sx4 s SER 358 Cb 0.07 -0.24 -0.35 0.00 -1.71 0.00 0.00 66.02 63.79 1sx4 s SER 358 CO 0.36 -0.02 1.00 0.44 1.20 0.00 0.00 173.24 176.22 1sx4 h ASP 359 N 2.45 0.83 -0.06 5.45 3.32 -1.99 -2.94 116.42 123.47 1sx4 h ASP 359 Ca -0.40 -0.91 -0.04 0.00 0.02 0.00 0.00 57.03 55.70 1sx4 h ASP 359 Cb 1.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1sx4 h ASP 359 CO 0.60 1.68 -0.05 0.22 -1.72 0.00 0.00 179.24 179.97 1sx4 h TYR 360 N 0.12 0.28 0.00 4.55 3.20 -2.01 -1.03 116.97 122.07 1sx4 h TYR 360 Ca -0.24 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1sx4 h TYR 360 Cb 2.11 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.30 1sx4 h TYR 360 CO 0.13 0.33 0.00 -0.44 -1.64 0.00 0.00 178.16 176.55 1sx4 h ASP 361 N 0.27 0.00 0.00 -2.11 5.19 -1.99 -3.17 116.42 114.61 1sx4 h ASP 361 Ca 0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1sx4 h ASP 361 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1sx4 h ASP 361 CO 0.01 0.00 -0.00 -0.09 -3.12 0.00 0.00 179.24 176.04 1sx4 h ARG 362 N 0.00 -0.01 -1.05 3.56 2.43 -1.02 -3.27 114.38 115.03 1sx4 h ARG 362 Ca 0.00 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.45 1sx4 h ARG 362 Cb 0.58 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.02 1sx4 h ARG 362 CO 0.00 -0.00 0.65 1.05 -1.51 0.00 0.00 179.97 180.16 1sx4 h GLU 363 N -0.08 0.41 0.00 0.20 9.09 -1.56 0.29 114.58 122.93 1sx4 h GLU 363 Ca -0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.35 1sx4 h GLU 363 Cb 0.00 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.01 1sx4 h GLU 363 CO 0.00 0.27 -0.16 0.87 0.05 0.00 0.00 179.01 180.04 1sx4 h LYS 364 N 0.42 0.00 0.08 1.06 1.79 -1.73 0.14 116.57 118.33 1sx4 h LYS 364 Ca 0.64 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.82 1sx4 h LYS 364 Cb 1.52 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.15 1sx4 h LYS 364 CO -0.39 0.16 -1.53 -0.07 -1.08 0.00 0.00 179.45 176.55 1sx4 h LEU 365 N 0.00 0.25 -0.25 2.94 3.38 -0.50 -3.28 115.31 117.85 1sx4 h LEU 365 Ca -0.00 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1sx4 h LEU 365 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sx4 h LEU 365 CO 0.02 1.32 -0.35 1.56 0.09 0.00 0.00 178.44 181.08 1sx4 h GLN 366 N 0.04 0.00 0.00 1.13 4.20 -0.96 -0.49 115.11 119.04 1sx4 h GLN 366 Ca -0.23 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1sx4 h GLN 366 Cb 1.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1sx4 h GLN 366 CO 0.13 0.35 -0.27 0.93 -0.67 0.00 0.00 178.83 179.30 1sx4 h GLU 367 N 0.00 0.00 0.15 1.46 5.08 -0.88 -1.64 114.58 118.75 1sx4 h GLU 367 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1sx4 h GLU 367 Cb 1.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1sx4 h GLU 367 CO 0.05 0.27 -1.00 0.00 -1.00 0.00 0.00 179.01 177.33 1sx4 h ARG 368 N 0.00 0.32 -0.73 2.33 3.08 -1.51 -2.03 114.38 115.84 1sx4 h ARG 368 Ca -0.00 -0.54 0.03 0.00 0.07 0.00 0.00 59.98 59.53 1sx4 h ARG 368 Cb 0.67 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1sx4 h ARG 368 CO 0.04 1.26 0.48 -0.39 -1.07 0.00 0.00 179.97 180.29 1sx4 h VAL 369 N -0.30 1.12 0.00 2.04 -1.51 -1.13 -2.95 116.25 113.52 1sx4 h VAL 369 Ca -0.18 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1sx4 h VAL 369 Cb 1.72 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1sx4 h VAL 369 CO 0.15 0.16 0.00 0.00 -1.23 0.00 0.00 177.57 176.65 1sx4 n ALA 370 N -2.43 -0.36 -0.32 5.19 0.00 -0.62 -1.42 120.51 120.55 1sx4 n ALA 370 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.85 1sx4 n ALA 370 Cb 0.11 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.14 1sx4 n ALA 370 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sx4 n LYS 371 N -1.87 -0.06 -0.07 0.00 5.02 -0.76 -0.19 118.16 120.23 1sx4 n LYS 371 Ca 0.00 1.35 -0.10 0.00 -2.02 0.00 0.00 58.31 57.54 1sx4 n LYS 371 Cb 0.00 -2.44 -0.06 0.00 -0.02 0.00 0.00 35.03 32.51 1sx4 n LYS 371 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sx4 h LEU 372 N 0.00 0.00 0.00 -0.35 5.85 -1.46 -3.21 115.31 116.14 1sx4 h LEU 372 Ca 0.84 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1sx4 h LEU 372 Cb 2.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.27 1sx4 h LEU 372 CO -0.74 0.94 -0.28 0.00 -0.34 0.00 0.00 178.44 178.01 1sx4 h ALA 373 N -0.65 0.85 -0.06 1.25 0.00 -1.14 -3.36 119.26 116.15 1sx4 h ALA 373 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 373 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sx4 h ALA 373 CO -0.06 0.00 -0.79 0.78 0.00 0.00 0.00 179.25 179.19 1sx4 h GLY 374 N 4.04 0.47 -0.05 0.00 0.00 -0.70 -3.49 103.07 103.34 1sx4 h GLY 374 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.63 1sx4 h GLY 374 CO 0.00 0.62 -0.01 0.61 0.00 0.00 0.00 176.54 177.77 1sx4 n GLY 375 N 0.67 -2.20 3.06 4.60 0.00 -1.21 -4.89 105.19 105.22 1sx4 n GLY 375 Ca -0.05 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1sx4 n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx4 s VAL 376 N -0.66 1.27 -0.33 1.61 1.01 -0.43 -4.23 120.40 118.65 1sx4 s VAL 376 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1sx4 s VAL 376 Cb 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1sx4 s VAL 376 CO 0.00 0.38 0.25 0.00 0.00 0.00 0.00 175.10 175.73 1sx4 s ALA 377 N 0.53 3.51 -0.18 5.51 0.00 0.42 -1.55 121.76 130.00 1sx4 s ALA 377 Ca -0.13 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1sx4 s ALA 377 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1sx4 s ALA 377 CO 0.04 -0.91 0.10 0.14 0.00 0.00 0.00 175.76 175.13 1sx4 s VAL 378 N 1.76 5.11 -0.21 0.00 -7.23 0.13 -1.50 120.40 118.46 1sx4 s VAL 378 Ca 0.07 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.22 1sx4 s VAL 378 Cb -0.17 -3.31 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 1sx4 s VAL 378 CO 0.11 0.47 0.14 -0.63 -0.31 0.00 0.00 175.10 174.87 1sx4 s ILE 379 N 0.22 5.39 -0.23 -0.62 1.01 0.36 -1.38 121.20 125.95 1sx4 s ILE 379 Ca 0.06 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1sx4 s ILE 379 Cb -0.12 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1sx4 s ILE 379 CO -0.01 0.42 0.10 -0.54 0.00 0.00 0.00 174.94 174.91 1sx4 s LYS 380 N 0.53 3.84 -0.37 2.79 1.02 0.17 -0.58 119.74 127.14 1sx4 s LYS 380 Ca 0.08 -0.39 -0.22 0.00 0.02 0.00 0.00 55.97 55.46 1sx4 s LYS 380 Cb -0.12 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1sx4 s LYS 380 CO -0.00 -0.02 0.71 0.08 -0.92 0.00 0.00 175.35 175.19 1sx4 s VAL 381 N 1.20 4.80 0.32 3.17 1.01 -1.00 -2.09 120.40 127.80 1sx4 s VAL 381 Ca 0.05 0.66 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 1sx4 s VAL 381 Cb -0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1sx4 s VAL 381 CO 0.04 -0.41 0.60 -0.83 0.00 0.00 0.00 175.10 174.50 1sx4 s GLY 382 N 1.85 1.85 0.16 4.51 0.00 -1.24 -1.37 107.32 113.08 1sx4 s GLY 382 Ca 0.27 -0.50 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 1sx4 s GLY 382 CO 0.17 -0.38 1.05 0.00 0.00 0.00 0.00 173.10 173.93 1sx4 s ALA 383 N -2.17 -1.68 -0.11 3.20 0.00 -1.22 -4.71 121.76 115.07 1sx4 s ALA 383 Ca 0.45 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 1sx4 s ALA 383 Cb -0.11 0.71 -0.17 0.00 0.00 0.00 0.00 23.12 23.56 1sx4 s ALA 383 CO 0.31 -1.06 0.58 0.00 0.00 0.00 0.00 175.76 175.58 1sx4 h ALA 384 N 2.00 -0.03 -2.32 0.00 0.00 -1.88 -3.38 119.26 113.65 1sx4 h ALA 384 Ca -0.27 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 1sx4 h ALA 384 Cb 1.22 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1sx4 h ALA 384 CO 0.33 -0.05 -0.69 -0.08 0.00 0.00 0.00 179.25 178.76 1sx4 s THR 385 N -2.24 3.11 0.23 0.00 -1.32 -1.26 -5.04 115.64 109.12 1sx4 s THR 385 Ca -0.13 -2.03 -0.06 0.00 -1.21 0.00 0.00 61.69 58.26 1sx4 s THR 385 Cb -0.02 -2.64 0.19 0.00 -1.51 0.00 0.00 72.50 68.52 1sx4 s THR 385 CO 0.47 -0.34 1.77 -0.08 -2.21 0.00 0.00 174.62 174.22 1sx4 h GLU 386 N 2.15 0.54 0.83 7.08 4.81 -1.99 -1.02 114.58 126.99 1sx4 h GLU 386 Ca -0.43 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1sx4 h GLU 386 Cb 1.25 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.51 1sx4 h GLU 386 CO 0.59 0.36 -0.40 0.28 -0.73 0.00 0.00 179.01 179.11 1sx4 h VAL 387 N 0.56 0.14 -0.82 0.32 2.07 -1.98 -1.76 116.25 114.79 1sx4 h VAL 387 Ca 0.37 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.98 1sx4 h VAL 387 Cb 0.43 0.16 -0.15 0.00 -1.52 0.00 0.00 31.29 30.21 1sx4 h VAL 387 CO -0.30 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 176.94 1sx4 h GLU 388 N -1.17 -0.03 0.84 1.57 4.81 -1.95 -0.59 114.58 118.05 1sx4 h GLU 388 Ca -0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1sx4 h GLU 388 Cb 0.86 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1sx4 h GLU 388 CO 0.19 -0.02 -0.43 1.98 -0.73 0.00 0.00 179.01 180.00 1sx4 h MET 389 N -0.03 -1.12 0.00 1.92 4.05 -1.03 1.20 114.93 119.92 1sx4 h MET 389 Ca 0.36 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1sx4 h MET 389 Cb 0.60 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1sx4 h MET 389 CO -0.86 -0.75 0.00 1.63 0.23 0.00 0.00 176.91 177.17 1sx4 n LYS 390 N -5.59 0.49 -0.10 0.39 5.02 -0.67 0.55 118.16 118.25 1sx4 n LYS 390 Ca -0.15 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 1sx4 n LYS 390 Cb 0.47 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 1sx4 n LYS 390 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sx4 h GLU 391 N 0.00 0.00 -0.24 1.97 4.22 -0.41 -3.29 114.58 116.84 1sx4 h GLU 391 Ca 0.00 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.48 1sx4 h GLU 391 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1sx4 h GLU 391 CO 0.00 1.00 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.54 1sx4 h LYS 392 N -0.98 -0.02 -1.00 1.92 3.64 0.18 -1.52 116.57 118.78 1sx4 h LYS 392 Ca -0.32 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.31 1sx4 h LYS 392 Cb 1.29 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.99 1sx4 h LYS 392 CO -0.19 -0.02 0.60 -0.22 -2.27 0.00 0.00 179.45 177.36 1sx4 h LYS 393 N -0.02 0.58 -0.42 1.90 3.64 -0.10 -1.01 116.57 121.13 1sx4 h LYS 393 Ca 0.12 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1sx4 h LYS 393 Cb 0.20 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1sx4 h LYS 393 CO -0.26 0.38 0.08 0.00 -2.27 0.00 0.00 179.45 177.39 1sx4 h ALA 394 N 1.73 0.56 -0.03 5.00 0.00 -1.36 -2.79 119.26 122.36 1sx4 h ALA 394 Ca 0.64 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1sx4 h ALA 394 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1sx4 h ALA 394 CO -0.47 0.26 -0.48 0.00 0.00 0.00 0.00 179.25 178.56 1sx4 h ARG 395 N 0.55 0.08 -0.33 0.00 3.08 -0.66 -1.96 114.38 115.14 1sx4 h ARG 395 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1sx4 h ARG 395 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1sx4 h ARG 395 CO 0.01 0.55 0.15 0.28 -1.07 0.00 0.00 179.97 179.89 1sx4 h VAL 396 N 0.06 1.17 -0.15 2.04 2.07 -1.17 0.06 116.25 120.34 1sx4 h VAL 396 Ca 0.00 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1sx4 h VAL 396 Cb 0.88 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1sx4 h VAL 396 CO 0.07 0.18 -0.08 -0.33 0.02 0.00 0.00 177.57 177.42 1sx4 h GLU 397 N 0.40 0.22 -0.06 1.57 5.08 -1.39 -0.82 114.58 119.57 1sx4 h GLU 397 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sx4 h GLU 397 Cb 0.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1sx4 h GLU 397 CO -0.01 0.31 0.02 -0.44 -1.00 0.00 0.00 179.01 177.90 1sx4 h ASP 398 N 0.21 0.09 -0.05 1.42 3.32 -0.68 -2.45 116.42 118.28 1sx4 h ASP 398 Ca 0.05 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1sx4 h ASP 398 Cb 0.28 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1sx4 h ASP 398 CO 0.01 0.24 -0.01 0.00 -1.72 0.00 0.00 179.24 177.76 1sx4 h ALA 399 N 0.85 0.07 -0.73 3.45 0.00 -0.92 -1.86 119.26 120.12 1sx4 h ALA 399 Ca 0.02 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 399 Cb 0.18 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 1sx4 h ALA 399 CO -0.00 -0.22 -0.25 1.25 0.00 0.00 0.00 179.25 180.03 1sx4 h LEU 400 N -0.24 -0.91 0.00 0.00 5.85 -1.18 0.13 115.31 118.97 1sx4 h LEU 400 Ca 0.01 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1sx4 h LEU 400 Cb 0.40 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1sx4 h LEU 400 CO 0.00 -0.27 -0.46 0.45 -0.34 0.00 0.00 178.44 177.82 1sx4 h HIS 401 N -0.05 -1.35 -0.09 1.25 3.86 -1.21 -1.34 115.15 116.22 1sx4 h HIS 401 Ca 0.33 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.61 1sx4 h HIS 401 Cb 0.56 0.59 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 1sx4 h HIS 401 CO -0.64 -0.49 0.09 0.00 0.86 0.00 0.00 177.93 177.75 1sx4 h ALA 402 N -0.59 1.73 0.14 2.45 0.00 -0.22 -1.96 119.26 120.81 1sx4 h ALA 402 Ca 0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 402 Cb 0.62 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sx4 h ALA 402 CO -0.30 -0.14 -0.85 1.15 0.00 0.00 0.00 179.25 179.10 1sx4 h THR 403 N 0.00 1.48 -0.91 0.00 2.02 -0.39 0.23 112.91 115.35 1sx4 h THR 403 Ca 0.04 -2.52 0.02 0.00 0.77 0.00 0.00 66.41 64.72 1sx4 h THR 403 Cb 0.23 3.17 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 1sx4 h THR 403 CO -0.00 0.71 0.60 0.03 0.37 0.00 0.00 175.52 177.23 1sx4 h ARG 404 N -0.38 1.15 -0.34 6.66 3.08 -1.01 0.21 114.38 123.75 1sx4 h ARG 404 Ca -0.15 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 1sx4 h ARG 404 Cb 1.64 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1sx4 h ARG 404 CO 0.14 0.76 -0.34 0.00 -1.07 0.00 0.00 179.97 179.46 1sx4 h ALA 405 N 1.45 0.49 -0.60 0.04 0.00 -1.24 -3.03 119.26 116.37 1sx4 h ALA 405 Ca 0.35 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1sx4 h ALA 405 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sx4 h ALA 405 CO -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1sx4 h ALA 406 N 0.74 0.81 0.21 0.00 0.00 0.82 -2.75 119.26 119.09 1sx4 h ALA 406 Ca 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sx4 h ALA 406 Cb 0.92 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 406 CO 0.08 0.66 -0.50 0.28 0.00 0.00 0.00 179.25 179.78 1sx4 h VAL 407 N 0.97 0.05 -0.65 0.00 2.07 -0.59 1.08 116.25 119.17 1sx4 h VAL 407 Ca 0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.78 1sx4 h VAL 407 Cb 0.58 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1sx4 h VAL 407 CO 0.03 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.60 1sx4 h GLU 408 N -0.79 0.51 0.00 1.57 5.08 -1.40 -3.34 114.58 116.22 1sx4 h GLU 408 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sx4 h GLU 408 Cb 0.77 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1sx4 h GLU 408 CO -0.22 0.34 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 1sx4 n GLU 409 N -4.91 0.13 0.00 2.33 1.02 -1.03 -5.06 120.64 113.11 1sx4 n GLU 409 Ca 0.09 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1sx4 n GLU 409 Cb 0.26 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1sx4 n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx4 n GLY 410 N -0.05 -2.61 3.58 0.62 0.00 0.37 -4.52 105.19 102.57 1sx4 n GLY 410 Ca 0.00 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.58 2.41 0.34 1.61 -7.23 -0.89 0.12 120.40 116.19 1sx4 s VAL 411 Ca 0.00 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.00 1sx4 s VAL 411 Cb 0.00 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1sx4 s VAL 411 CO 0.00 -0.20 0.57 0.68 -0.31 0.00 0.00 175.10 175.84 1sx4 s VAL 412 N -2.57 0.00 -0.15 1.32 -7.23 -0.39 -1.87 120.40 109.50 1sx4 s VAL 412 Ca 0.34 -1.40 -0.34 0.00 -1.81 0.00 0.00 61.98 58.76 1sx4 s VAL 412 Cb 0.01 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 1sx4 s VAL 412 CO 0.18 0.00 1.94 0.00 -0.31 0.00 0.00 175.10 176.91 1sx4 n ALA 413 N -0.53 0.88 1.85 1.32 0.00 -1.26 -1.02 120.51 121.75 1sx4 n ALA 413 Ca -0.02 0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.78 1sx4 n ALA 413 Cb 0.61 -2.52 0.90 0.00 0.00 0.00 0.00 19.45 18.44 1sx4 n ALA 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 414 N 4.79 -1.07 1.08 0.00 0.00 0.15 -2.56 105.19 107.58 1sx4 n GLY 414 Ca 0.26 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 1.07 1.74 0.45 -0.02 0.00 -1.26 -4.67 105.19 102.50 1sx4 n GLY 415 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.44 3.05 0.36 -0.02 0.00 -1.26 -4.40 105.19 104.36 1sx4 n GLY 416 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1sx4 n GLY 416 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sx4 n VAL 417 N -0.42 -0.44 -0.24 1.61 0.31 -1.26 -1.00 118.33 116.90 1sx4 n VAL 417 Ca 0.00 2.27 -0.04 0.00 -0.01 0.00 0.00 64.34 66.56 1sx4 n VAL 417 Cb 0.00 -3.11 0.06 0.00 -0.91 0.00 0.00 33.84 29.88 1sx4 n VAL 417 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sx4 h ALA 418 N 1.83 0.87 -0.42 3.52 0.00 -1.87 0.18 119.26 123.36 1sx4 h ALA 418 Ca 0.44 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1sx4 h ALA 418 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sx4 h ALA 418 CO -1.01 0.21 -0.11 -0.07 0.00 0.00 0.00 179.25 178.27 1sx4 h LEU 419 N 0.84 0.83 -1.52 0.00 -0.00 -1.36 -1.67 115.31 112.44 1sx4 h LEU 419 Ca 0.26 -0.36 0.06 0.00 -0.00 0.00 0.00 57.88 57.84 1sx4 h LEU 419 Cb -0.02 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.38 1sx4 h LEU 419 CO -0.09 1.00 0.41 0.40 -0.00 0.00 0.00 178.44 180.16 1sx4 h ILE 420 N 0.65 0.99 0.08 1.22 1.08 0.06 -1.62 117.51 119.96 1sx4 h ILE 420 Ca 0.11 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1sx4 h ILE 420 Cb 0.64 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1sx4 h ILE 420 CO 0.04 0.11 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.48 1sx4 h ARG 421 N 0.59 -0.11 -0.24 2.37 9.65 -0.49 -2.88 114.38 123.28 1sx4 h ARG 421 Ca 0.27 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1sx4 h ARG 421 Cb 0.29 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1sx4 h ARG 421 CO -0.08 0.44 0.12 -0.39 2.80 0.00 0.00 179.97 182.86 1sx4 h VAL 422 N -0.79 1.08 -0.47 0.20 -1.51 -0.88 -1.15 116.25 112.73 1sx4 h VAL 422 Ca -0.01 -0.22 -0.09 0.00 -1.23 0.00 0.00 66.70 65.16 1sx4 h VAL 422 Cb 0.59 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 1sx4 h VAL 422 CO 0.02 0.09 -0.05 0.00 -1.23 0.00 0.00 177.57 176.40 1sx4 h ALA 423 N 1.81 0.64 0.00 5.19 0.00 -1.32 -2.43 119.26 123.15 1sx4 h ALA 423 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sx4 h ALA 423 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sx4 h ALA 423 CO -0.01 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.38 1sx4 h SER 424 N 0.71 0.00 0.23 0.00 4.64 -1.00 -2.99 113.55 115.14 1sx4 h SER 424 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1sx4 h SER 424 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1sx4 h SER 424 CO 0.03 0.00 -0.11 0.11 -0.87 0.00 0.00 176.83 175.99 1sx4 h LYS 425 N 0.00 -0.29 -2.23 4.77 1.57 -0.92 -3.35 116.57 116.11 1sx4 h LYS 425 Ca 0.00 0.02 -0.71 0.00 -1.87 0.00 0.00 60.65 58.09 1sx4 h LYS 425 Cb 0.43 0.07 -0.21 0.00 0.08 0.00 0.00 32.23 32.60 1sx4 h LYS 425 CO 0.00 0.07 1.25 1.47 -0.57 0.00 0.00 179.45 181.67 1sx4 n LEU 426 N -4.99 7.37 -1.70 2.94 -0.00 -1.03 -4.43 117.00 115.16 1sx4 n LEU 426 Ca -0.08 -4.81 0.07 0.00 -0.00 0.00 0.00 56.01 51.19 1sx4 n LEU 426 Cb 0.25 -1.21 0.36 0.00 -0.00 0.00 0.00 43.42 42.82 1sx4 n LEU 426 CO 0.24 1.91 0.81 0.00 -0.00 0.00 0.00 177.39 180.35 1sx4 n ALA 427 N 0.52 3.58 0.57 1.47 0.00 -1.23 -3.40 120.51 122.02 1sx4 n ALA 427 Ca 0.53 -1.66 0.09 0.00 0.00 0.00 0.00 53.44 52.40 1sx4 n ALA 427 Cb 0.32 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 1sx4 n ALA 427 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sx4 n ASP 428 N 0.69 0.75 -4.55 0.00 8.00 -1.26 -5.06 116.55 115.12 1sx4 n ASP 428 Ca 0.25 -0.61 -0.50 0.00 0.71 0.00 0.00 54.79 54.64 1sx4 n ASP 428 Cb 1.04 1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 43.42 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sx4 n LEU 429 N -1.72 1.02 -4.47 0.64 7.94 -1.22 -4.97 117.00 114.22 1sx4 n LEU 429 Ca 0.01 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.82 1sx4 n LEU 429 Cb 0.38 -1.15 -0.10 0.00 0.53 0.00 0.00 43.42 43.07 1sx4 n LEU 429 CO 0.40 -1.59 -0.36 -0.13 -1.11 0.00 0.00 177.39 174.60 1sx4 s ARG 430 N -0.48 1.66 0.00 1.96 1.81 -1.26 -4.98 118.95 117.66 1sx4 s ARG 430 Ca 0.73 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1sx4 s ARG 430 Cb -0.90 -1.33 0.00 0.00 -0.45 0.00 0.00 34.95 32.26 1sx4 s ARG 430 CO 0.54 0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.62 1sx4 n GLY 431 N -0.67 5.24 0.52 -3.53 0.00 -1.26 -5.00 105.19 100.48 1sx4 n GLY 431 Ca -0.05 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.30 -1.70 1.61 3.00 -1.26 -4.88 117.38 114.45 1sx4 n GLN 432 Ca 0.00 0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1sx4 n GLN 432 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 30.24 29.20 1sx4 n GLN 432 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1sx4 n ASN 433 N -3.97 2.91 0.28 1.08 4.05 -1.26 -4.79 115.26 113.56 1sx4 n ASN 433 Ca -0.12 1.18 0.15 0.00 0.45 0.00 0.00 54.58 56.24 1sx4 n ASN 433 Cb 0.36 -1.48 0.80 0.00 1.23 0.00 0.00 39.78 40.69 1sx4 n ASN 433 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1sx4 h GLU 434 N 3.44 0.00 -0.58 1.20 4.11 -2.00 0.12 114.58 120.87 1sx4 h GLU 434 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.92 1sx4 h GLU 434 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1sx4 h GLU 434 CO 0.69 0.00 0.17 -0.44 0.07 0.00 0.00 179.01 179.51 1sx4 h ASP 435 N 0.00 0.82 1.10 3.06 3.32 -1.96 -2.72 116.42 120.04 1sx4 h ASP 435 Ca 0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 1sx4 h ASP 435 Cb 0.41 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1sx4 h ASP 435 CO 0.00 0.78 -0.55 1.56 -1.72 0.00 0.00 179.24 179.31 1sx4 h GLN 436 N 0.86 0.00 -0.36 3.56 4.20 -0.99 -1.80 115.11 120.59 1sx4 h GLN 436 Ca 0.19 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1sx4 h GLN 436 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1sx4 h GLN 436 CO -0.01 0.55 0.22 -0.91 -0.67 0.00 0.00 178.83 178.01 1sx4 h ASN 437 N 0.00 0.36 -0.66 1.46 2.35 -1.36 0.54 115.58 118.27 1sx4 h ASN 437 Ca -0.01 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1sx4 h ASN 437 Cb 1.25 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 1sx4 h ASN 437 CO 0.07 0.26 0.34 0.58 -1.65 0.00 0.00 177.43 177.03 1sx4 h VAL 438 N 0.44 1.22 0.11 2.81 2.07 -1.15 0.68 116.25 122.42 1sx4 h VAL 438 Ca 0.14 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1sx4 h VAL 438 Cb -0.02 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1sx4 h VAL 438 CO -0.05 0.24 -0.48 1.23 0.02 0.00 0.00 177.57 178.53 1sx4 h GLY 439 N 0.91 -1.01 0.63 2.17 0.00 -0.51 0.96 103.07 106.22 1sx4 h GLY 439 Ca 0.23 0.58 0.06 0.00 0.00 0.00 0.00 47.33 48.20 1sx4 h GLY 439 CO -0.03 -0.27 0.26 -2.22 0.00 0.00 0.00 176.54 174.27 1sx4 h ILE 440 N -0.71 0.91 0.78 2.60 2.04 0.70 -2.21 117.51 121.63 1sx4 h ILE 440 Ca 0.01 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1sx4 h ILE 440 Cb 0.73 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1sx4 h ILE 440 CO -0.28 0.09 -0.46 0.11 0.00 0.00 0.00 178.15 177.61 1sx4 h LYS 441 N 0.49 -1.12 -0.80 2.37 1.57 -0.49 -0.02 116.57 118.57 1sx4 h LYS 441 Ca 0.25 0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.21 1sx4 h LYS 441 Cb 0.20 0.25 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 1sx4 h LYS 441 CO -0.20 -0.74 -0.37 0.28 -0.57 0.00 0.00 179.45 177.85 1sx4 n VAL 442 N -5.38 -0.47 0.21 0.50 0.31 0.30 -0.10 118.33 113.70 1sx4 n VAL 442 Ca -0.14 1.90 -0.15 0.00 -0.01 0.00 0.00 64.34 65.94 1sx4 n VAL 442 Cb 0.48 -2.45 -0.07 0.00 -0.91 0.00 0.00 33.84 30.89 1sx4 n VAL 442 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sx4 h ALA 443 N 0.84 -0.62 -0.27 3.52 0.00 -1.14 -0.28 119.26 121.31 1sx4 h ALA 443 Ca 0.22 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 443 Cb 0.42 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1sx4 h ALA 443 CO -0.78 -0.88 -0.06 -0.07 0.00 0.00 0.00 179.25 177.47 1sx4 h LEU 444 N -0.63 -0.23 -1.30 0.00 3.38 0.12 -1.88 115.31 114.78 1sx4 h LEU 444 Ca -0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1sx4 h LEU 444 Cb 0.56 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sx4 h LEU 444 CO -0.03 -0.08 -0.12 -0.09 0.09 0.00 0.00 178.44 178.21 1sx4 h ARG 445 N 0.01 0.00 -0.17 1.13 2.43 -0.29 0.11 114.38 117.60 1sx4 h ARG 445 Ca 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sx4 h ARG 445 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1sx4 h ARG 445 CO -0.27 0.12 0.08 0.00 -1.51 0.00 0.00 179.97 178.39 1sx4 h ALA 446 N 1.88 1.81 0.00 2.80 0.00 -0.21 -2.94 119.26 122.60 1sx4 h ALA 446 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 446 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sx4 h ALA 446 CO 0.02 0.16 0.00 0.52 0.00 0.00 0.00 179.25 179.94 1sx4 h MET 447 N 0.24 0.00 0.00 0.00 2.86 -0.58 -0.75 114.93 116.71 1sx4 h MET 447 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1sx4 h MET 447 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1sx4 h MET 447 CO -0.01 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.89 1sx4 h GLU 448 N 0.00 0.00 0.18 1.72 5.08 -1.62 -3.35 114.58 116.58 1sx4 h GLU 448 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1sx4 h GLU 448 Cb 0.63 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1sx4 h GLU 448 CO 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.51 1sx4 h ALA 449 N 2.25 -0.95 -0.26 3.43 0.00 -1.28 0.20 119.26 122.64 1sx4 h ALA 449 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1sx4 h ALA 449 Cb 0.65 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1sx4 h ALA 449 CO 0.00 -1.10 -0.12 -1.35 0.00 0.00 0.00 179.25 176.68 1sx4 h PRO 450 N -0.77 -0.08 0.21 0.00 0.11 -1.80 0.23 132.00 129.90 1sx4 h PRO 450 Ca -0.01 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sx4 h PRO 450 Cb 0.76 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1sx4 h PRO 450 CO -0.24 -0.06 -0.21 1.25 -0.21 0.00 0.00 178.00 178.53 1sx4 h LEU 451 N -0.09 -0.55 -0.51 2.35 5.85 -1.55 0.22 115.31 121.03 1sx4 h LEU 451 Ca 0.14 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1sx4 h LEU 451 Cb 0.29 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1sx4 h LEU 451 CO -0.32 -0.31 -0.02 0.03 -0.34 0.00 0.00 178.44 177.48 1sx4 h ARG 452 N -0.45 0.09 -0.19 1.25 3.08 0.11 -1.99 114.38 116.29 1sx4 h ARG 452 Ca -0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1sx4 h ARG 452 Cb 0.42 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1sx4 h ARG 452 CO -0.05 0.06 0.02 0.37 -1.07 0.00 0.00 179.97 179.30 1sx4 h GLN 453 N 0.09 0.09 -0.20 0.04 5.75 0.14 0.07 115.11 121.09 1sx4 h GLN 453 Ca 0.26 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.81 1sx4 h GLN 453 Cb 0.39 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.85 1sx4 h GLN 453 CO -0.44 0.06 -0.25 0.82 -2.65 0.00 0.00 178.83 176.37 1sx4 h ILE 454 N 0.09 0.39 -0.90 2.39 1.08 0.13 -1.18 117.51 119.51 1sx4 h ILE 454 Ca 0.09 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.73 1sx4 h ILE 454 Cb 0.09 0.39 -0.10 0.00 -3.07 0.00 0.00 36.82 34.13 1sx4 h ILE 454 CO -0.13 0.00 0.48 0.58 -0.69 0.00 0.00 178.15 178.39 1sx4 h VAL 455 N -0.28 0.67 -0.17 1.67 2.07 -1.22 -1.74 116.25 117.24 1sx4 h VAL 455 Ca 0.12 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1sx4 h VAL 455 Cb 0.47 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 455 CO -0.36 0.11 -0.16 0.25 0.02 0.00 0.00 177.57 177.43 1sx4 h LEU 456 N 0.62 0.44 -0.86 2.57 5.85 0.17 -1.90 115.31 122.20 1sx4 h LEU 456 Ca 0.52 -0.47 0.18 0.00 0.84 0.00 0.00 57.88 58.95 1sx4 h LEU 456 Cb 0.81 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.61 1sx4 h LEU 456 CO -0.40 0.83 0.39 0.78 -0.34 0.00 0.00 178.44 179.69 1sx4 h ASN 457 N 0.07 0.38 0.59 1.25 2.35 -1.06 0.45 115.58 119.61 1sx4 h ASN 457 Ca 0.03 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1sx4 h ASN 457 Cb 0.70 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 1sx4 h ASN 457 CO 0.04 0.09 -0.04 0.00 -1.65 0.00 0.00 177.43 175.87 1sx4 n GLY 459 N -0.42 0.72 3.97 0.00 0.00 0.15 -5.05 105.19 104.56 1sx4 n GLY 459 Ca -0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1sx4 n GLY 459 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sx4 s GLU 460 N -0.67 2.49 -0.11 1.61 0.41 -0.78 -5.04 118.70 116.62 1sx4 s GLU 460 Ca 0.00 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 53.50 1sx4 s GLU 460 Cb 0.00 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 29.86 1sx4 s GLU 460 CO 0.00 -0.77 1.18 -1.21 -0.49 0.00 0.00 175.26 173.97 1sx4 s GLU 461 N -4.80 4.31 0.00 1.61 0.41 -1.26 -3.98 118.70 114.99 1sx4 s GLU 461 Ca 0.58 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.74 1sx4 s GLU 461 Cb -0.10 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1sx4 s GLU 461 CO 0.39 -0.53 0.22 -2.30 -0.49 0.00 0.00 175.26 172.55 1sx4 n PRO 462 N 5.72 0.00 0.00 0.39 -0.02 -1.26 -2.80 135.00 137.04 1sx4 n PRO 462 Ca 0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1sx4 n PRO 462 Cb 0.46 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 1sx4 n PRO 462 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sx4 n SER 463 N -1.41 0.00 0.17 2.55 3.41 -1.26 -0.46 113.62 116.62 1sx4 n SER 463 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sx4 n SER 463 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.56 -0.84 -3.33 2.07 -2.00 0.20 116.25 112.91 1sx4 h VAL 464 Ca 0.00 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1sx4 h VAL 464 Cb 0.00 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1sx4 h VAL 464 CO 0.00 0.11 0.55 0.58 0.02 0.00 0.00 177.57 178.83 1sx4 h VAL 465 N -0.88 1.12 0.88 2.57 2.07 -0.79 -1.83 116.25 119.39 1sx4 h VAL 465 Ca -0.05 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1sx4 h VAL 465 Cb 0.53 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1sx4 h VAL 465 CO 0.08 0.19 -0.44 0.00 0.02 0.00 0.00 177.57 177.41 1sx4 h ALA 466 N 1.52 -1.21 -0.61 1.67 0.00 -0.66 0.12 119.26 120.08 1sx4 h ALA 466 Ca 0.34 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1sx4 h ALA 466 Cb 0.08 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1sx4 h ALA 466 CO -0.11 -1.19 -0.01 -0.97 0.00 0.00 0.00 179.25 176.97 1sx4 h ASN 467 N -1.21 -0.30 -0.60 0.00 -1.24 -0.39 -0.37 115.58 111.47 1sx4 h ASN 467 Ca -0.12 0.16 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 1sx4 h ASN 467 Cb 0.93 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 1sx4 h ASN 467 CO 0.19 -0.12 -0.01 0.71 -1.29 0.00 0.00 177.43 176.90 1sx4 h THR 468 N 0.10 1.27 -0.70 -3.57 1.35 -1.09 -1.85 112.91 108.42 1sx4 h THR 468 Ca 0.32 -1.17 0.11 0.00 -0.55 0.00 0.00 66.41 65.12 1sx4 h THR 468 Cb 0.51 0.81 -0.08 0.00 -1.73 0.00 0.00 68.15 67.67 1sx4 h THR 468 CO -0.54 0.43 0.30 0.58 -0.25 0.00 0.00 175.52 176.04 1sx4 h VAL 469 N 0.98 0.75 -0.24 6.82 2.07 0.84 -1.90 116.25 125.57 1sx4 h VAL 469 Ca 0.17 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sx4 h VAL 469 Cb 0.58 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1sx4 h VAL 469 CO 0.03 0.09 0.16 0.11 0.02 0.00 0.00 177.57 177.98 1sx4 h LYS 470 N 0.48 0.29 0.00 1.57 1.57 -0.93 -2.14 116.57 117.42 1sx4 h LYS 470 Ca 0.36 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1sx4 h LYS 470 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1sx4 h LYS 470 CO -0.33 0.19 0.00 0.78 -0.57 0.00 0.00 179.45 179.52 1sx4 h GLY 471 N 0.30 0.00 0.00 3.86 0.00 -0.50 -3.45 103.07 103.28 1sx4 h GLY 471 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sx4 h GLY 471 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1sx4 n GLY 472 N 0.03 0.75 3.38 4.60 0.00 -0.80 -5.12 105.19 108.02 1sx4 n GLY 472 Ca 0.02 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.00 0.04 0.81 1.61 1.01 -1.26 -5.04 116.67 112.85 1sx4 s ASP 473 Ca 0.00 -1.13 0.00 0.00 0.71 0.00 0.00 52.55 52.13 1sx4 s ASP 473 Cb 0.00 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.40 1sx4 s ASP 473 CO 0.00 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.02 1sx4 n GLY 474 N -0.30 2.99 2.07 0.21 0.00 -1.26 -1.37 105.19 107.53 1sx4 n GLY 474 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 2.79 3.74 -4.74 1.61 3.02 -1.26 -4.92 115.26 115.50 1sx4 n ASN 475 Ca 0.00 -3.58 -0.41 0.00 -0.03 0.00 0.00 54.58 50.56 1sx4 n ASN 475 Cb 0.00 -0.80 -0.04 0.00 -0.61 0.00 0.00 39.78 38.33 1sx4 n ASN 475 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sx4 s TYR 476 N -3.25 3.58 0.00 3.10 5.04 -0.47 -0.20 117.35 125.15 1sx4 s TYR 476 Ca 0.55 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 1sx4 s TYR 476 Cb 0.47 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.49 1sx4 s TYR 476 CO 0.10 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1sx4 n GLY 477 N 1.92 2.18 3.10 8.97 0.00 0.54 -4.72 105.19 117.18 1sx4 n GLY 477 Ca 0.02 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -5.25 1.96 -0.72 1.61 5.04 -1.26 -1.73 117.35 116.99 1sx4 s TYR 478 Ca 0.00 -0.80 -0.12 0.00 -2.44 0.00 0.00 57.07 53.71 1sx4 s TYR 478 Cb 0.00 -1.37 0.19 0.00 0.35 0.00 0.00 41.96 41.13 1sx4 s TYR 478 CO 0.00 -0.37 0.64 1.21 -1.34 0.00 0.00 175.55 175.70 1sx4 s ASN 479 N 0.61 6.35 0.42 4.32 2.47 -0.96 -4.84 114.94 123.33 1sx4 s ASN 479 Ca -0.15 -2.52 0.34 0.00 0.42 0.00 0.00 52.86 50.95 1sx4 s ASN 479 Cb -0.16 -2.14 1.40 0.00 -1.45 0.00 0.00 41.25 38.89 1sx4 s ASN 479 CO 0.05 -0.59 1.38 0.00 -3.72 0.00 0.00 177.10 174.21 1sx4 n ALA 480 N 4.16 1.37 0.01 1.71 0.00 -1.26 -0.71 120.51 125.79 1sx4 n ALA 480 Ca 0.07 0.70 -0.06 0.00 0.00 0.00 0.00 53.44 54.15 1sx4 n ALA 480 Cb 0.44 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 19.05 1sx4 n ALA 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 h ALA 481 N 1.23 0.90 -0.12 0.00 0.00 -1.94 -3.26 119.26 116.06 1sx4 h ALA 481 Ca 0.80 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1sx4 h ALA 481 Cb 2.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.49 1sx4 h ALA 481 CO -0.27 0.64 0.00 0.25 0.00 0.00 0.00 179.25 179.86 1sx4 n THR 482 N -4.03 1.00 -4.53 0.00 -2.24 -0.65 -5.01 114.28 98.83 1sx4 n THR 482 Ca -0.02 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 1sx4 n THR 482 Cb 0.51 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 1sx4 n THR 482 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sx4 n GLU 483 N -0.15 -0.79 -5.16 -0.78 1.02 0.11 -4.98 120.64 109.92 1sx4 n GLU 483 Ca 0.04 0.14 -0.32 0.00 -0.02 0.00 0.00 57.16 57.01 1sx4 n GLU 483 Cb 0.31 -4.69 -0.16 0.00 -0.02 0.00 0.00 31.44 26.88 1sx4 n GLU 483 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sx4 s GLU 484 N -7.25 2.77 0.61 3.49 2.02 -1.19 -4.94 118.70 114.21 1sx4 s GLU 484 Ca 0.81 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 1sx4 s GLU 484 Cb -0.47 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1sx4 s GLU 484 CO 1.03 0.34 1.03 0.71 0.02 0.00 0.00 175.26 178.38 1sx4 s TYR 485 N -0.03 3.41 -2.12 1.61 1.51 -1.26 -2.25 117.35 118.22 1sx4 s TYR 485 Ca -0.07 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.38 1sx4 s TYR 485 Cb -0.15 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 1sx4 s TYR 485 CO 0.05 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.13 1sx4 n GLY 486 N -2.11 -0.55 3.37 0.71 0.00 -0.70 -4.93 105.19 100.99 1sx4 n GLY 486 Ca 0.07 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 6.01 0.42 1.61 3.84 -1.26 -0.34 114.94 121.22 1sx4 s ASN 487 Ca 0.00 -1.28 0.26 0.00 0.21 0.00 0.00 52.86 52.05 1sx4 s ASN 487 Cb 0.00 -2.13 1.33 0.00 -0.55 0.00 0.00 41.25 39.90 1sx4 s ASN 487 CO 0.00 -0.58 1.66 0.24 -2.79 0.00 0.00 177.10 175.63 1sx4 h MET 488 N 8.65 0.17 0.06 0.43 2.86 -0.88 0.13 114.93 126.34 1sx4 h MET 488 Ca -0.27 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1sx4 h MET 488 Cb 1.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1sx4 h MET 488 CO 0.82 0.11 -0.03 0.82 1.06 0.00 0.00 176.91 179.69 1sx4 h ILE 489 N 0.17 0.79 -0.75 -1.22 2.04 -1.75 -0.64 117.51 116.16 1sx4 h ILE 489 Ca 0.76 -1.46 0.16 0.00 1.00 0.00 0.00 64.86 65.32 1sx4 h ILE 489 Cb 2.25 1.45 -0.14 0.00 -0.74 0.00 0.00 36.82 39.65 1sx4 h ILE 489 CO -0.41 0.25 -0.10 0.44 0.00 0.00 0.00 178.15 178.34 1sx4 h ASP 490 N -0.97 -0.54 0.00 1.72 5.19 -1.72 0.14 116.42 120.23 1sx4 h ASP 490 Ca -0.01 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1sx4 h ASP 490 Cb 0.47 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1sx4 h ASP 490 CO 0.01 -0.22 0.00 0.23 -3.12 0.00 0.00 179.24 176.14 1sx4 n MET 491 N -5.43 0.49 -1.55 3.56 2.81 0.39 -4.86 117.12 112.53 1sx4 n MET 491 Ca 0.12 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.00 1sx4 n MET 491 Cb 0.42 -1.40 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 -0.01 0.38 2.93 3.03 0.00 0.47 -5.00 105.19 107.00 1sx4 n GLY 492 Ca 0.09 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 1sx4 n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sx4 s ILE 493 N -2.03 2.85 0.17 -0.61 -1.09 -0.28 -4.96 121.20 115.25 1sx4 s ILE 493 Ca 0.00 -3.88 0.07 0.00 -2.23 0.00 0.00 60.65 54.61 1sx4 s ILE 493 Cb 0.00 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1sx4 s ILE 493 CO 0.00 -0.93 -0.15 -1.48 -1.23 0.00 0.00 174.94 171.15 1sx4 s LEU 494 N -0.99 2.48 -0.03 2.97 2.34 -1.26 0.30 118.68 124.50 1sx4 s LEU 494 Ca 0.22 -0.92 0.05 0.00 0.06 0.00 0.00 54.13 53.53 1sx4 s LEU 494 Cb -0.13 -0.68 -0.01 0.00 -0.56 0.00 0.00 46.19 44.82 1sx4 s LEU 494 CO -0.10 -0.13 -0.16 -1.81 -1.06 0.00 0.00 176.35 173.09 1sx4 s ASP 495 N -2.91 2.01 0.53 1.48 1.01 -0.19 -4.58 116.67 114.03 1sx4 s ASP 495 Ca 0.17 -0.32 -0.20 0.00 0.71 0.00 0.00 52.55 52.90 1sx4 s ASP 495 Cb -0.03 -0.42 -0.07 0.00 1.01 0.00 0.00 42.92 43.41 1sx4 s ASP 495 CO 0.06 0.17 0.94 -2.65 0.21 0.00 0.00 175.17 173.89 1sx4 n PRO 496 N 2.95 1.04 -0.15 8.23 -0.02 -1.26 -1.26 135.00 144.53 1sx4 n PRO 496 Ca -0.17 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1sx4 n PRO 496 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1sx4 n PRO 496 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1sx4 h THR 497 N 0.86 1.19 -0.63 3.45 2.02 0.75 -1.52 112.91 119.03 1sx4 h THR 497 Ca -0.47 -0.58 0.13 0.00 0.77 0.00 0.00 66.41 66.26 1sx4 h THR 497 Cb 1.36 0.76 -0.11 0.00 -1.74 0.00 0.00 68.15 68.41 1sx4 h THR 497 CO 0.53 0.22 -0.09 0.50 0.37 0.00 0.00 175.52 177.04 1sx4 h LYS 498 N 0.57 0.04 -0.15 6.66 3.64 -1.81 -1.67 116.57 123.85 1sx4 h LYS 498 Ca 0.15 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1sx4 h LYS 498 Cb 0.16 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1sx4 h LYS 498 CO -0.02 0.03 -0.13 -0.24 -2.27 0.00 0.00 179.45 176.82 1sx4 h VAL 499 N 0.05 1.34 -0.69 2.00 3.04 -1.57 0.59 116.25 121.01 1sx4 h VAL 499 Ca 0.32 -1.27 0.04 0.00 -1.01 0.00 0.00 66.70 64.78 1sx4 h VAL 499 Cb 0.50 1.83 -0.05 0.00 -2.01 0.00 0.00 31.29 31.57 1sx4 h VAL 499 CO -0.60 0.37 0.42 0.74 -1.01 0.00 0.00 177.57 177.49 1sx4 h THR 500 N 0.00 1.07 0.91 3.17 2.02 -1.21 -1.74 112.91 117.12 1sx4 h THR 500 Ca 0.03 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1sx4 h THR 500 Cb 0.65 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1sx4 h THR 500 CO 0.03 0.15 -0.44 -0.09 0.37 0.00 0.00 175.52 175.54 1sx4 h ARG 501 N 0.81 -1.18 -0.88 6.66 2.43 -1.05 -2.42 114.38 118.75 1sx4 h ARG 501 Ca 0.28 0.08 0.20 0.00 -0.81 0.00 0.00 59.98 59.73 1sx4 h ARG 501 Cb 0.06 0.27 -0.16 0.00 -0.42 0.00 0.00 29.97 29.71 1sx4 h ARG 501 CO -0.12 -0.79 -0.11 0.77 -1.51 0.00 0.00 179.97 178.21 1sx4 h SER 502 N -1.31 -0.63 -0.70 -3.80 0.02 -0.86 0.58 113.55 106.85 1sx4 h SER 502 Ca -0.13 0.25 0.11 0.00 -0.84 0.00 0.00 61.79 61.19 1sx4 h SER 502 Cb 0.94 0.49 -0.08 0.00 0.14 0.00 0.00 62.40 63.88 1sx4 h SER 502 CO 0.21 -0.28 0.31 0.00 -1.14 0.00 0.00 176.83 175.92 1sx4 h ALA 503 N 1.87 0.96 -0.10 3.77 0.00 -1.21 0.60 119.26 125.14 1sx4 h ALA 503 Ca 0.46 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 1sx4 h ALA 503 Cb 0.80 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sx4 h ALA 503 CO -0.86 -0.14 -0.50 1.25 0.00 0.00 0.00 179.25 179.01 1sx4 h LEU 504 N 0.50 0.62 -0.58 0.00 6.46 0.51 -1.28 115.31 121.53 1sx4 h LEU 504 Ca 0.36 -0.64 -0.12 0.00 -0.12 0.00 0.00 57.88 57.36 1sx4 h LEU 504 Cb 0.46 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1sx4 h LEU 504 CO -0.32 1.16 -0.16 1.56 -0.62 0.00 0.00 178.44 180.05 1sx4 h GLN 505 N 0.12 0.96 -0.02 1.25 4.20 -0.12 0.36 115.11 121.86 1sx4 h GLN 505 Ca -0.03 -0.38 -0.17 0.00 0.06 0.00 0.00 58.65 58.13 1sx4 h GLN 505 Cb 1.14 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1sx4 h GLN 505 CO 0.10 1.05 -0.74 1.88 -0.67 0.00 0.00 178.83 180.44 1sx4 h TYR 506 N 0.85 0.24 0.00 2.96 0.05 -0.90 0.55 116.97 120.71 1sx4 h TYR 506 Ca 0.12 -0.11 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 1sx4 h TYR 506 Cb 0.72 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1sx4 h TYR 506 CO 0.05 0.85 -0.59 0.00 -1.05 0.00 0.00 178.16 177.41 1sx4 h ALA 507 N 1.12 1.00 0.00 3.88 0.00 -0.63 -2.92 119.26 121.70 1sx4 h ALA 507 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1sx4 h ALA 507 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1sx4 h ALA 507 CO 0.11 0.74 -0.54 0.00 0.00 0.00 0.00 179.25 179.56 1sx4 h ALA 508 N 1.41 0.84 0.11 0.00 0.00 -0.01 -2.27 119.26 119.34 1sx4 h ALA 508 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1sx4 h ALA 508 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1sx4 h ALA 508 CO 0.08 0.67 -0.05 1.03 0.00 0.00 0.00 179.25 180.98 1sx4 h SER 509 N 0.00 -0.13 0.42 0.00 0.87 -0.73 -1.14 113.55 112.85 1sx4 h SER 509 Ca -0.01 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.13 1sx4 h SER 509 Cb 1.15 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1sx4 h SER 509 CO 0.07 0.25 -0.52 1.62 -0.53 0.00 0.00 176.83 177.72 1sx4 h VAL 510 N -0.53 1.37 -0.04 2.23 3.04 -1.52 0.16 116.25 120.96 1sx4 h VAL 510 Ca -0.02 -1.80 -0.00 0.00 -1.01 0.00 0.00 66.70 63.87 1sx4 h VAL 510 Cb 0.43 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1sx4 h VAL 510 CO 0.03 0.52 0.01 0.00 -1.01 0.00 0.00 177.57 177.11 1sx4 h ALA 511 N 1.38 0.05 -0.35 3.17 0.00 -1.18 -1.74 119.26 120.59 1sx4 h ALA 511 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 511 Cb 0.96 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 511 CO 0.07 -0.31 -0.51 0.78 0.00 0.00 0.00 179.25 179.29 1sx4 h GLY 512 N -0.19 -0.88 -0.93 0.00 0.00 -0.40 0.20 103.07 100.86 1sx4 h GLY 512 Ca 0.01 0.65 0.18 0.00 0.00 0.00 0.00 47.33 48.17 1sx4 h GLY 512 CO 0.00 -0.16 -0.30 1.41 0.00 0.00 0.00 176.54 177.50 1sx4 h LEU 513 N -0.42 -1.10 0.06 3.11 4.07 -0.49 -0.37 115.31 120.17 1sx4 h LEU 513 Ca 0.09 0.30 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 1sx4 h LEU 513 Cb 0.61 0.65 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1sx4 h LEU 513 CO -0.55 -0.31 -0.03 0.24 -1.08 0.00 0.00 178.44 176.71 1sx4 h MET 514 N -0.01 -0.07 0.00 1.13 2.86 -0.58 -2.65 114.93 115.61 1sx4 h MET 514 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1sx4 h MET 514 Cb 0.66 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1sx4 h MET 514 CO -0.98 0.15 0.09 0.82 1.06 0.00 0.00 176.91 178.05 1sx4 h ILE 515 N -0.29 0.00 -0.22 -1.22 2.04 0.59 -0.51 117.51 117.91 1sx4 h ILE 515 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1sx4 h ILE 515 Cb 0.26 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1sx4 h ILE 515 CO 0.01 0.00 -0.03 0.35 0.00 0.00 0.00 178.15 178.48 1sx4 n THR 516 N -2.72 2.26 -3.59 -0.27 -2.24 -0.39 -4.80 114.28 102.53 1sx4 n THR 516 Ca -0.02 -2.18 -0.37 0.00 -2.27 0.00 0.00 64.05 59.21 1sx4 n THR 516 Cb 0.14 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.94 5.27 -0.02 4.28 2.01 -0.20 -4.95 115.64 119.09 1sx4 s THR 517 Ca 0.40 0.56 0.06 0.00 0.31 0.00 0.00 61.69 63.02 1sx4 s THR 517 Cb 0.34 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 1sx4 s THR 517 CO 0.05 0.48 0.10 -0.62 -0.69 0.00 0.00 174.62 173.95 1sx4 n GLU 518 N 2.80 0.93 -4.09 4.92 -0.58 -1.26 -4.71 120.64 118.66 1sx4 n GLU 518 Ca -0.14 -0.04 -0.07 0.00 -0.42 0.00 0.00 57.16 56.49 1sx4 n GLU 518 Cb 0.53 -1.14 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sx4 s MET 520 N -3.86 0.29 0.07 0.00 -1.94 -0.57 -4.99 119.30 108.31 1sx4 s MET 520 Ca 0.06 0.71 0.06 0.00 -1.71 0.00 0.00 55.69 54.81 1sx4 s MET 520 Cb 0.08 -0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.68 1sx4 s MET 520 CO -0.10 -0.46 -0.07 0.08 -0.01 0.00 0.00 175.02 174.47 1sx4 s VAL 521 N 2.53 3.59 -0.04 -6.03 1.01 -1.26 -1.53 120.40 118.67 1sx4 s VAL 521 Ca 0.06 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 1sx4 s VAL 521 Cb -0.14 -2.66 0.13 0.00 0.00 0.00 0.00 36.38 33.72 1sx4 s VAL 521 CO -0.13 0.19 1.34 0.28 0.00 0.00 0.00 175.10 176.77 1sx4 s THR 522 N -1.18 0.00 0.62 3.92 -1.32 -1.18 -5.00 115.64 111.49 1sx4 s THR 522 Ca 0.21 -0.15 -0.10 0.00 -1.21 0.00 0.00 61.69 60.44 1sx4 s THR 522 Cb -0.11 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 68.83 1sx4 s THR 522 CO 0.13 0.00 1.00 -1.81 -2.21 0.00 0.00 174.62 171.73 1sx4 s ASP 523 N -3.01 6.06 0.34 8.08 1.01 -1.26 -1.22 116.67 126.68 1sx4 s ASP 523 Ca 0.15 1.27 -0.28 0.00 0.71 0.00 0.00 52.55 54.39 1sx4 s ASP 523 Cb 0.06 -2.31 -0.10 0.00 1.01 0.00 0.00 42.92 41.58 1sx4 s ASP 523 CO -0.05 -0.93 1.25 -0.76 0.21 0.00 0.00 175.17 174.90 1sx4 s LEU 524 N -5.14 4.39 0.00 1.23 1.43 -1.20 -4.59 118.68 114.80 1sx4 s LEU 524 Ca 0.54 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 1sx4 s LEU 524 Cb -0.11 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1sx4 s LEU 524 CO 0.52 -0.52 0.18 -2.65 0.23 0.00 0.00 176.35 174.11