#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 3.61 0.49 0.00 0.00 -1.26 -4.99 121.76 119.61 1sx4 s ALA 3 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1sx4 s ALA 3 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1sx4 s ALA 3 CO 0.00 -0.65 0.69 0.15 0.00 0.00 0.00 175.76 175.95 1sx4 s LYS 4 N 0.42 2.73 -0.20 0.00 -0.14 -1.26 -3.32 119.74 117.96 1sx4 s LYS 4 Ca 0.62 -0.88 -0.02 0.00 -1.36 0.00 0.00 55.97 54.33 1sx4 s LYS 4 Cb -0.39 -2.59 -0.00 0.00 -1.68 0.00 0.00 37.83 33.17 1sx4 s LYS 4 CO 0.36 -0.48 -0.09 0.34 -0.76 0.00 0.00 175.35 174.71 1sx4 s ASP 5 N -4.36 3.97 -0.18 2.83 -1.08 0.34 -4.80 116.67 113.40 1sx4 s ASP 5 Ca 0.55 -0.45 -0.02 0.00 -0.52 0.00 0.00 52.55 52.10 1sx4 s ASP 5 Cb -0.10 -1.66 -0.01 0.00 -1.46 0.00 0.00 42.92 39.69 1sx4 s ASP 5 CO 0.36 -0.00 -0.08 -0.69 0.52 0.00 0.00 175.17 175.28 1sx4 s VAL 6 N 1.35 3.19 0.06 1.11 1.01 -1.26 -2.48 120.40 123.38 1sx4 s VAL 6 Ca 0.04 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1sx4 s VAL 6 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1sx4 s VAL 6 CO -0.05 0.47 -0.20 -0.75 0.00 0.00 0.00 175.10 174.56 1sx4 s LYS 7 N 1.03 1.93 0.18 2.72 2.20 -0.69 -5.00 119.74 122.12 1sx4 s LYS 7 Ca -0.00 -1.06 0.11 0.00 -0.36 0.00 0.00 55.97 54.66 1sx4 s LYS 7 Cb -0.15 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 1sx4 s LYS 7 CO -0.01 0.52 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.20 1sx4 s PHE 8 N -0.94 2.27 0.00 4.03 0.40 -1.26 -1.55 117.98 120.93 1sx4 s PHE 8 Ca 0.14 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1sx4 s PHE 8 Cb -0.10 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1sx4 s PHE 8 CO 0.05 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1sx4 n GLY 9 N 0.34 1.33 0.33 4.36 0.00 0.36 -1.59 105.19 110.31 1sx4 n GLY 9 Ca -0.13 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1sx4 n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sx4 h ASN 10 N 0.00 -0.67 -0.62 1.61 4.21 -1.93 -1.04 115.58 117.14 1sx4 h ASN 10 Ca 0.00 0.03 0.06 0.00 1.21 0.00 0.00 56.30 57.60 1sx4 h ASN 10 Cb 0.00 0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.29 1sx4 h ASN 10 CO 0.00 -0.47 -0.50 0.44 -1.29 0.00 0.00 177.43 175.61 1sx4 h ASP 11 N -0.77 -1.75 -0.86 5.81 3.32 -1.70 0.37 116.42 120.84 1sx4 h ASP 11 Ca -0.08 0.25 0.22 0.00 0.02 0.00 0.00 57.03 57.44 1sx4 h ASP 11 Cb 0.60 0.75 -0.14 0.00 0.22 0.00 0.00 39.33 40.76 1sx4 h ASP 11 CO 0.12 -0.27 0.21 0.00 -1.72 0.00 0.00 179.24 177.58 1sx4 h ALA 12 N 0.05 1.20 -0.01 3.45 0.00 -0.91 -0.20 119.26 122.84 1sx4 h ALA 12 Ca 0.10 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 12 Cb 0.43 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1sx4 h ALA 12 CO -0.67 -0.45 -0.82 0.00 0.00 0.00 0.00 179.25 177.31 1sx4 h ARG 13 N 0.21 0.20 0.55 0.00 3.08 0.90 -0.53 114.38 118.79 1sx4 h ARG 13 Ca 0.53 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 1sx4 h ARG 13 Cb 1.03 0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.14 1sx4 h ARG 13 CO -0.64 0.91 -0.26 0.28 -1.07 0.00 0.00 179.97 179.19 1sx4 h VAL 14 N 0.12 0.44 -0.79 2.04 2.07 0.11 -0.84 116.25 119.40 1sx4 h VAL 14 Ca -0.04 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1sx4 h VAL 14 Cb 1.43 0.50 -0.15 0.00 -1.52 0.00 0.00 31.29 31.54 1sx4 h VAL 14 CO 0.13 0.02 -0.18 0.11 0.02 0.00 0.00 177.57 177.67 1sx4 h LYS 15 N -0.81 0.01 -0.90 1.57 1.79 -1.39 0.12 116.57 116.96 1sx4 h LYS 15 Ca -0.08 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1sx4 h LYS 15 Cb 0.60 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.18 1sx4 h LYS 15 CO 0.12 0.00 0.55 0.52 -1.08 0.00 0.00 179.45 179.57 1sx4 h MET 16 N 0.01 0.94 -0.10 3.15 2.86 -0.71 -1.77 114.93 119.30 1sx4 h MET 16 Ca 0.38 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 1sx4 h MET 16 Cb 0.60 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1sx4 h MET 16 CO -0.80 0.62 -0.02 1.25 1.06 0.00 0.00 176.91 179.02 1sx4 h LEU 17 N 0.97 0.19 -0.15 1.22 5.85 0.66 0.40 115.31 124.45 1sx4 h LEU 17 Ca 0.41 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sx4 h LEU 17 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sx4 h LEU 17 CO -0.20 0.50 0.08 0.03 -0.34 0.00 0.00 178.44 178.51 1sx4 h ARG 18 N -0.13 0.21 -0.83 1.25 3.08 -1.12 0.53 114.38 117.38 1sx4 h ARG 18 Ca 0.03 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1sx4 h ARG 18 Cb 0.42 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.33 1sx4 h ARG 18 CO 0.01 0.24 -0.53 0.78 -1.07 0.00 0.00 179.97 179.40 1sx4 h GLY 19 N 0.13 -1.02 0.50 0.04 0.00 -1.19 -1.98 103.07 99.54 1sx4 h GLY 19 Ca 0.05 0.82 0.04 0.00 0.00 0.00 0.00 47.33 48.24 1sx4 h GLY 19 CO -0.01 -0.07 -0.12 -0.24 0.00 0.00 0.00 176.54 176.11 1sx4 h VAL 20 N -0.06 0.65 -0.77 4.60 3.04 -0.36 -2.95 116.25 120.40 1sx4 h VAL 20 Ca 0.13 0.00 0.18 0.00 -1.01 0.00 0.00 66.70 66.00 1sx4 h VAL 20 Cb 0.40 0.65 -0.12 0.00 -2.01 0.00 0.00 31.29 30.22 1sx4 h VAL 20 CO -0.81 0.00 0.20 0.78 -1.01 0.00 0.00 177.57 176.74 1sx4 h ASN 21 N -0.13 0.04 -0.43 3.17 -0.26 0.66 -0.46 115.58 118.17 1sx4 h ASN 21 Ca 0.10 0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1sx4 h ASN 21 Cb 0.27 0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 1sx4 h ASN 21 CO -0.24 -0.05 0.17 0.58 -1.06 0.00 0.00 177.43 176.83 1sx4 h VAL 22 N 0.27 1.20 0.06 2.81 2.07 -1.22 3.04 116.25 124.49 1sx4 h VAL 22 Ca 0.45 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1sx4 h VAL 22 Cb 0.79 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1sx4 h VAL 22 CO -0.54 0.23 -0.39 0.25 0.02 0.00 0.00 177.57 177.14 1sx4 h LEU 23 N 0.55 -1.16 -1.62 2.57 6.46 -1.25 -1.98 115.31 118.88 1sx4 h LEU 23 Ca 0.14 0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 58.00 1sx4 h LEU 23 Cb 0.20 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1sx4 h LEU 23 CO -0.01 -0.45 -0.19 0.00 -0.62 0.00 0.00 178.44 177.16 1sx4 h ALA 24 N -0.02 1.67 0.00 1.25 0.00 0.16 0.17 119.26 122.49 1sx4 h ALA 24 Ca 0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1sx4 h ALA 24 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1sx4 h ALA 24 CO -0.27 0.24 -0.61 -0.44 0.00 0.00 0.00 179.25 178.18 1sx4 h ASP 25 N 0.00 0.00 0.86 0.00 3.32 0.59 -1.62 116.42 119.57 1sx4 h ASP 25 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1sx4 h ASP 25 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1sx4 h ASP 25 CO 0.03 0.51 -0.94 0.00 -1.72 0.00 0.00 179.24 177.12 1sx4 h ALA 26 N 1.49 0.46 0.00 3.45 0.00 -1.15 -3.36 119.26 120.14 1sx4 h ALA 26 Ca -0.02 -0.83 -0.26 0.00 0.00 0.00 0.00 54.91 53.81 1sx4 h ALA 26 Cb 1.41 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1sx4 h ALA 26 CO 0.06 1.11 -1.94 1.55 0.00 0.00 0.00 179.25 180.03 1sx4 n VAL 27 N -3.48 1.22 0.39 0.00 3.14 0.03 -4.26 118.33 115.36 1sx4 n VAL 27 Ca -0.01 -0.76 0.14 0.00 -2.96 0.00 0.00 64.34 60.75 1sx4 n VAL 27 Cb 0.87 -0.60 0.50 0.00 -1.06 0.00 0.00 33.84 33.55 1sx4 n VAL 27 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1sx4 h LYS 28 N 0.00 0.00 0.00 1.45 2.10 -1.45 -3.19 116.57 115.48 1sx4 h LYS 28 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1sx4 h LYS 28 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 1sx4 h LYS 28 CO 0.04 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.82 1sx4 n VAL 29 N -2.58 0.02 -1.12 0.07 0.24 -1.26 -2.58 118.33 111.11 1sx4 n VAL 29 Ca 0.03 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.36 1sx4 n VAL 29 Cb 0.32 -0.55 0.25 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.06 2.45 -0.07 3.34 -2.24 -1.21 -0.63 114.28 114.86 1sx4 n THR 30 Ca 0.20 -2.07 -0.17 0.00 -2.27 0.00 0.00 64.05 59.74 1sx4 n THR 30 Cb 0.12 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 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 1.69 0.04 -8.57 3.22 5.85 -1.73 -3.42 115.31 112.38 1sx4 h LEU 31 Ca 0.10 -0.85 -0.15 0.00 0.84 0.00 0.00 57.88 57.81 1sx4 h LEU 31 Cb 1.62 -0.01 0.09 0.00 0.37 0.00 0.00 40.66 42.73 1sx4 h LEU 31 CO 0.34 1.18 -0.45 0.61 -0.34 0.00 0.00 178.44 179.78 1sx4 n GLY 32 N 1.57 -1.86 0.00 3.75 0.00 -1.26 -4.78 105.19 102.61 1sx4 n GLY 32 Ca -0.17 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 0.46 0.12 -2.65 1.61 -0.04 -1.26 -3.94 135.00 129.30 1sx4 n PRO 33 Ca 0.02 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 1sx4 n PRO 33 Cb 0.24 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.27 2.10 -1.75 0.54 5.02 -1.26 -5.01 118.16 116.53 1sx4 n LYS 34 Ca 0.04 -3.82 -0.29 0.00 -2.02 0.00 0.00 58.31 52.21 1sx4 n LYS 34 Cb 0.06 -1.71 0.15 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.24 1.65 0.44 0.72 0.00 -1.25 -3.66 107.32 101.97 1sx4 s GLY 35 Ca 0.37 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 44.33 1sx4 s GLY 35 CO -0.07 -0.20 0.56 0.50 0.00 0.00 0.00 173.10 173.90 1sx4 s ARG 36 N -5.60 2.71 0.04 2.90 1.81 0.19 -4.96 118.95 116.05 1sx4 s ARG 36 Ca 0.67 -1.35 -0.10 0.00 -1.72 0.00 0.00 55.73 53.24 1sx4 s ARG 36 Cb -0.09 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.68 1sx4 s ARG 36 CO 0.52 -0.33 0.37 -0.80 -0.68 0.00 0.00 175.30 174.38 1sx4 s ASN 37 N -4.35 6.63 -0.04 0.23 0.01 -1.26 -4.53 114.94 111.64 1sx4 s ASN 37 Ca 0.54 0.77 0.03 0.00 -0.71 0.00 0.00 52.86 53.49 1sx4 s ASN 37 Cb -0.08 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1sx4 s ASN 37 CO 0.33 0.22 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.34 1sx4 s VAL 38 N -1.31 3.31 -0.17 1.60 1.01 -0.04 -4.97 120.40 119.83 1sx4 s VAL 38 Ca 0.30 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1sx4 s VAL 38 Cb -0.14 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1sx4 s VAL 38 CO 0.16 0.53 0.00 -0.69 0.00 0.00 0.00 175.10 175.11 1sx4 s VAL 39 N -0.82 4.18 -0.26 2.92 1.01 -1.26 -1.50 120.40 124.67 1sx4 s VAL 39 Ca 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1sx4 s VAL 39 Cb -0.11 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.48 1sx4 s VAL 39 CO 0.02 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.81 1sx4 s LEU 40 N 0.53 2.96 0.63 3.92 1.02 0.90 -4.95 118.68 123.69 1sx4 s LEU 40 Ca -0.01 -1.42 -0.18 0.00 0.02 0.00 0.00 54.13 52.55 1sx4 s LEU 40 Cb -0.14 -1.24 -0.01 0.00 0.02 0.00 0.00 46.19 44.81 1sx4 s LEU 40 CO 0.02 -0.28 1.21 -0.62 0.02 0.00 0.00 176.35 176.70 1sx4 s ASP 41 N 1.32 4.89 -0.06 2.29 2.15 -1.26 -0.80 116.67 125.20 1sx4 s ASP 41 Ca -0.01 2.39 -0.02 0.00 0.43 0.00 0.00 52.55 55.33 1sx4 s ASP 41 Cb -0.19 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 39.87 1sx4 s ASP 41 CO -0.09 -1.80 0.11 -0.75 -0.17 0.00 0.00 175.17 172.48 1sx4 s LYS 42 N -3.51 0.02 0.00 4.34 2.20 -1.26 -4.84 119.74 116.69 1sx4 s LYS 42 Ca 0.77 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1sx4 s LYS 42 Cb -0.30 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 35.74 1sx4 s LYS 42 CO 0.37 -0.24 0.42 0.43 -0.36 0.00 0.00 175.35 175.98 1sx4 n SER 43 N 4.72 0.00 -4.88 1.43 7.64 -1.26 -4.37 113.62 116.90 1sx4 n SER 43 Ca -0.16 0.42 -0.31 0.00 1.01 0.00 0.00 58.87 59.83 1sx4 n SER 43 Cb 0.50 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.23 3.44 0.00 1.43 0.40 -1.26 -4.93 117.98 115.83 1sx4 s PHE 44 Ca 0.00 0.83 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 1sx4 s PHE 44 Cb 0.00 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1sx4 s PHE 44 CO 0.00 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1sx4 n GLY 45 N -0.46 -1.71 3.83 4.36 0.00 -1.26 -4.97 105.19 104.98 1sx4 n GLY 45 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.17 3.12 1.08 4.61 0.00 -1.26 -4.79 121.76 123.35 1sx4 s ALA 46 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1sx4 s ALA 46 Cb 0.00 -3.04 0.24 0.00 0.00 0.00 0.00 23.12 20.32 1sx4 s ALA 46 CO 0.00 0.10 1.06 -1.25 0.00 0.00 0.00 175.76 175.67 1sx4 s PRO 47 N -3.33 -0.27 -0.20 0.00 0.04 -1.26 -4.69 135.00 125.30 1sx4 s PRO 47 Ca 0.59 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 1sx4 s PRO 47 Cb -0.09 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1sx4 s PRO 47 CO 0.18 -3.24 0.01 0.99 0.04 0.00 0.00 177.00 174.97 1sx4 s THR 48 N -2.71 4.05 -0.20 1.26 2.01 0.02 -4.94 115.64 115.12 1sx4 s THR 48 Ca 0.67 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 1sx4 s THR 48 Cb -0.22 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1sx4 s THR 48 CO 0.61 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 174.45 1sx4 s ILE 49 N 0.92 5.18 0.02 1.82 1.01 -1.26 -0.07 121.20 128.81 1sx4 s ILE 49 Ca 0.01 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1sx4 s ILE 49 Cb -0.14 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1sx4 s ILE 49 CO 0.02 0.43 0.26 0.28 0.00 0.00 0.00 174.94 175.92 1sx4 s THR 50 N 0.51 0.08 -0.20 2.92 -1.32 -0.56 -4.99 115.64 112.08 1sx4 s THR 50 Ca 0.06 -0.66 0.13 0.00 -1.21 0.00 0.00 61.69 60.01 1sx4 s THR 50 Cb -0.12 -0.74 0.27 0.00 -1.51 0.00 0.00 72.50 70.40 1sx4 s THR 50 CO -0.00 -0.36 1.18 0.29 -2.21 0.00 0.00 174.62 173.52 1sx4 n LYS 51 N 0.98 2.22 -3.54 7.08 5.02 -1.26 -0.86 118.16 127.80 1sx4 n LYS 51 Ca -0.20 -2.31 -0.41 0.00 -2.02 0.00 0.00 58.31 53.36 1sx4 n LYS 51 Cb 0.57 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.01 5.74 0.67 4.39 2.15 -1.26 -4.76 116.67 121.58 1sx4 s ASP 52 Ca 0.25 -1.94 0.33 0.00 0.43 0.00 0.00 52.55 51.63 1sx4 s ASP 52 Cb 0.21 -2.02 1.81 0.00 -0.30 0.00 0.00 42.92 42.62 1sx4 s ASP 52 CO 0.05 -0.70 2.02 1.23 -0.17 0.00 0.00 175.17 177.61 1sx4 h GLY 53 N 8.44 0.00 0.55 2.66 0.00 -1.83 -2.23 103.07 110.65 1sx4 h GLY 53 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1sx4 h GLY 53 CO 0.87 0.00 -0.26 -2.08 0.00 0.00 0.00 176.54 175.07 1sx4 h VAL 54 N 0.00 1.49 -0.21 4.60 2.07 -1.94 -0.14 116.25 122.12 1sx4 h VAL 54 Ca 0.00 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.78 1sx4 h VAL 54 Cb 0.52 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1sx4 h VAL 54 CO -0.00 0.50 -0.16 0.28 0.02 0.00 0.00 177.57 178.21 1sx4 h SER 55 N -0.36 -0.51 0.42 0.57 0.02 -1.85 -1.75 113.55 110.09 1sx4 h SER 55 Ca -0.02 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1sx4 h SER 55 Cb 0.95 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1sx4 h SER 55 CO 0.05 -0.20 -0.27 0.58 -1.14 0.00 0.00 176.83 175.85 1sx4 h VAL 56 N -0.16 0.43 -0.62 2.27 2.07 -1.37 -3.01 116.25 115.87 1sx4 h VAL 56 Ca 0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1sx4 h VAL 56 Cb 0.34 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 1sx4 h VAL 56 CO -0.31 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.15 1sx4 h ALA 57 N -0.14 0.44 -0.94 1.67 0.00 -1.01 0.07 119.26 119.34 1sx4 h ALA 57 Ca -0.04 0.23 0.25 0.00 0.00 0.00 0.00 54.91 55.35 1sx4 h ALA 57 Cb 0.56 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1sx4 h ALA 57 CO 0.03 -0.42 0.65 -0.09 0.00 0.00 0.00 179.25 179.42 1sx4 h ARG 58 N 0.02 0.17 0.00 0.00 2.43 -1.17 0.58 114.38 116.41 1sx4 h ARG 58 Ca 0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1sx4 h ARG 58 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1sx4 h ARG 58 CO -0.62 0.11 -0.43 1.49 -1.51 0.00 0.00 179.97 179.01 1sx4 h GLU 59 N 0.18 0.00 -6.27 0.20 4.57 -0.96 -3.45 114.58 108.84 1sx4 h GLU 59 Ca 0.48 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 58.09 1sx4 h GLU 59 Cb 1.57 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.11 1sx4 h GLU 59 CO -0.10 0.00 0.92 0.42 -1.18 0.00 0.00 179.01 179.07 1sx4 s ILE 60 N -3.23 4.28 -0.09 2.32 -1.09 0.20 -4.97 121.20 118.63 1sx4 s ILE 60 Ca 0.05 1.49 -0.04 0.00 -2.23 0.00 0.00 60.65 59.92 1sx4 s ILE 60 Cb 0.09 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1sx4 s ILE 60 CO 0.71 -0.37 0.19 -0.70 -1.23 0.00 0.00 174.94 173.54 1sx4 s GLU 61 N 3.83 0.12 0.40 2.79 2.12 -1.26 -4.89 118.70 121.81 1sx4 s GLU 61 Ca 0.53 0.50 0.08 0.00 0.36 0.00 0.00 54.97 56.43 1sx4 s GLU 61 Cb -0.17 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 1sx4 s GLU 61 CO 0.18 -0.20 0.44 -0.51 -0.54 0.00 0.00 175.26 174.63 1sx4 s LEU 62 N 1.54 3.57 -0.03 2.70 1.43 -1.26 -5.02 118.68 121.61 1sx4 s LEU 62 Ca -0.06 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 1sx4 s LEU 62 Cb -0.11 -2.36 -0.31 0.00 0.03 0.00 0.00 46.19 43.44 1sx4 s LEU 62 CO -0.07 -0.63 0.93 -0.08 0.23 0.00 0.00 176.35 176.73 1sx4 h GLU 63 N 0.91 0.34 -6.24 1.70 4.81 -2.00 -3.43 114.58 110.67 1sx4 h GLU 63 Ca -0.42 -0.54 -0.56 0.00 -0.13 0.00 0.00 59.36 57.72 1sx4 h GLU 63 Cb 1.27 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 1sx4 h GLU 63 CO 0.53 1.25 1.06 0.34 -0.73 0.00 0.00 179.01 181.46 1sx4 s ASP 64 N -7.00 6.65 1.20 1.04 -1.08 -1.26 -4.95 116.67 111.27 1sx4 s ASP 64 Ca -0.13 1.99 -0.16 0.00 -0.52 0.00 0.00 52.55 53.72 1sx4 s ASP 64 Cb 0.01 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.23 1sx4 s ASP 64 CO 0.84 -0.98 1.03 -0.54 0.52 0.00 0.00 175.17 176.05 1sx4 s LYS 65 N 4.09 -1.22 0.63 4.34 1.02 -1.26 -1.26 119.74 126.08 1sx4 s LYS 65 Ca 0.69 0.41 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1sx4 s LYS 65 Cb -0.29 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1sx4 s LYS 65 CO 0.27 -3.81 0.00 1.19 -0.92 0.00 0.00 175.35 172.07 1sx4 n PHE 66 N -4.92 0.00 -0.33 3.18 3.72 -1.26 -3.97 117.46 113.88 1sx4 n PHE 66 Ca 0.07 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.51 1sx4 n PHE 66 Cb 0.57 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.22 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 -0.01 -0.70 -1.08 5.08 -1.61 0.30 114.58 116.56 1sx4 h GLU 67 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sx4 h GLU 67 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1sx4 h GLU 67 CO 0.00 -0.01 0.38 -0.97 -1.00 0.00 0.00 179.01 177.42 1sx4 h ASN 68 N -0.01 0.88 -0.72 1.42 -1.24 -1.31 -1.74 115.58 112.86 1sx4 h ASN 68 Ca 0.42 -0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.35 1sx4 h ASN 68 Cb 0.66 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 1sx4 h ASN 68 CO -0.95 0.72 0.47 0.24 -1.29 0.00 0.00 177.43 176.62 1sx4 h MET 69 N 0.96 0.91 0.21 6.67 2.86 -1.00 0.63 114.93 126.18 1sx4 h MET 69 Ca 0.25 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1sx4 h MET 69 Cb 0.04 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1sx4 h MET 69 CO -0.04 0.60 -0.11 0.78 1.06 0.00 0.00 176.91 179.20 1sx4 h GLY 70 N 0.94 -0.31 0.98 8.32 0.00 0.09 -0.77 103.07 112.32 1sx4 h GLY 70 Ca 0.27 0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.61 1sx4 h GLY 70 CO -0.06 -0.12 -0.25 0.00 0.00 0.00 0.00 176.54 176.11 1sx4 h ALA 71 N 0.49 0.45 -0.27 3.60 0.00 -0.22 -2.60 119.26 120.71 1sx4 h ALA 71 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1sx4 h ALA 71 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sx4 h ALA 71 CO 0.04 0.44 0.18 1.96 0.00 0.00 0.00 179.25 181.87 1sx4 h GLN 72 N 0.48 0.18 -0.39 0.00 1.08 0.47 -2.06 115.11 114.88 1sx4 h GLN 72 Ca 0.06 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.09 1sx4 h GLN 72 Cb 0.81 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1sx4 h GLN 72 CO 0.06 0.12 -0.38 0.52 -0.95 0.00 0.00 178.83 178.20 1sx4 h MET 73 N 0.19 0.95 -0.24 1.46 2.86 -0.76 -0.62 114.93 118.77 1sx4 h MET 73 Ca 0.12 -0.50 -0.18 0.00 -2.06 0.00 0.00 59.70 57.08 1sx4 h MET 73 Cb 0.23 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1sx4 h MET 73 CO -0.02 1.16 -0.56 0.28 1.06 0.00 0.00 176.91 178.83 1sx4 h VAL 74 N 0.77 1.29 -0.85 -2.22 2.07 -1.19 -2.38 116.25 113.74 1sx4 h VAL 74 Ca 0.06 -1.76 0.06 0.00 0.82 0.00 0.00 66.70 65.88 1sx4 h VAL 74 Cb 0.98 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1sx4 h VAL 74 CO 0.10 0.56 0.55 0.11 0.02 0.00 0.00 177.57 178.91 1sx4 h LYS 75 N 0.55 0.92 -0.04 1.57 1.57 -1.29 -1.08 116.57 118.76 1sx4 h LYS 75 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1sx4 h LYS 75 Cb 1.18 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1sx4 h LYS 75 CO 0.12 0.61 0.01 1.49 -0.57 0.00 0.00 179.45 181.11 1sx4 h GLU 76 N 0.94 0.07 0.02 3.15 4.81 -0.59 -0.61 114.58 122.37 1sx4 h GLU 76 Ca 0.36 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.34 1sx4 h GLU 76 Cb 0.21 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1sx4 h GLU 76 CO -0.13 0.25 -1.00 -0.24 -0.73 0.00 0.00 179.01 177.16 1sx4 h VAL 77 N -0.13 1.39 -0.28 0.32 3.04 -1.13 -2.49 116.25 116.98 1sx4 h VAL 77 Ca 0.01 -2.48 -0.09 0.00 -1.01 0.00 0.00 66.70 63.13 1sx4 h VAL 77 Cb 0.21 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.95 1sx4 h VAL 77 CO -0.00 0.74 -0.22 0.00 -1.01 0.00 0.00 177.57 177.08 1sx4 h ALA 78 N 0.67 1.10 -0.49 3.17 0.00 -1.17 -1.22 119.26 121.32 1sx4 h ALA 78 Ca -0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1sx4 h ALA 78 Cb 1.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1sx4 h ALA 78 CO 0.18 0.56 -0.08 1.03 0.00 0.00 0.00 179.25 180.93 1sx4 h SER 79 N 0.46 0.88 -0.67 0.00 0.87 -0.67 -1.52 113.55 112.90 1sx4 h SER 79 Ca 0.07 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1sx4 h SER 79 Cb 0.64 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1sx4 h SER 79 CO 0.05 0.99 0.44 0.11 -0.53 0.00 0.00 176.83 177.88 1sx4 h LYS 80 N 0.80 0.69 -0.16 2.24 1.57 -1.15 0.30 116.57 120.86 1sx4 h LYS 80 Ca 0.14 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1sx4 h LYS 80 Cb 0.59 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 1sx4 h LYS 80 CO 0.04 0.46 -0.25 0.00 -0.57 0.00 0.00 179.45 179.13 1sx4 h ALA 81 N 1.63 -0.21 -0.57 3.86 0.00 -0.18 0.65 119.26 124.45 1sx4 h ALA 81 Ca 0.28 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sx4 h ALA 81 Cb 0.21 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 81 CO -0.09 -0.70 0.35 -0.97 0.00 0.00 0.00 179.25 177.84 1sx4 h ASN 82 N -0.30 0.66 -0.84 0.00 -0.73 -1.14 0.26 115.58 113.49 1sx4 h ASN 82 Ca 0.11 -0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.29 1sx4 h ASN 82 Cb 0.47 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.84 1sx4 h ASN 82 CO -0.33 0.50 0.54 0.44 -0.37 0.00 0.00 177.43 178.21 1sx4 h ASP 83 N 0.78 0.89 -0.08 1.15 3.32 0.17 -1.14 116.42 121.51 1sx4 h ASP 83 Ca 0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1sx4 h ASP 83 Cb -0.05 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1sx4 h ASP 83 CO -0.04 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1sx4 n ALA 84 N -2.34 2.49 0.00 3.45 0.00 -0.03 -4.58 120.51 119.50 1sx4 n ALA 84 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1sx4 n ALA 84 Cb 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.97 1.49 0.00 0.00 0.00 -0.58 -4.98 120.51 117.41 1sx4 n ALA 85 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sx4 n ALA 85 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.49 1.05 0.00 0.00 0.00 -0.45 -4.73 105.19 102.55 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 -4.90 116.55 114.03 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 -0.02 2.19 0.10 0.27 0.00 -1.26 -4.01 105.19 102.45 1sx4 n GLY 88 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.41 -0.14 -0.05 2.61 -1.04 -1.26 0.24 114.28 114.22 1sx4 n THR 89 Ca 0.00 0.60 -0.13 0.00 -2.04 0.00 0.00 64.05 62.47 1sx4 n THR 89 Cb 0.00 -0.77 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 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 1.36 -0.16 12.58 2.02 -1.91 -2.64 112.91 124.16 1sx4 h THR 90 Ca 0.07 -1.38 0.03 0.00 0.77 0.00 0.00 66.41 65.90 1sx4 h THR 90 Cb 0.14 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1sx4 h THR 90 CO -0.25 0.40 -0.00 0.74 0.37 0.00 0.00 175.52 176.78 1sx4 h THR 91 N -0.05 0.88 -0.66 3.16 2.02 0.35 0.13 112.91 118.73 1sx4 h THR 91 Ca 0.01 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1sx4 h THR 91 Cb 0.73 0.83 -0.11 0.00 -1.74 0.00 0.00 68.15 67.86 1sx4 h THR 91 CO 0.04 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1sx4 h ALA 92 N 1.14 0.66 -0.21 6.16 0.00 0.31 0.11 119.26 127.43 1sx4 h ALA 92 Ca 0.07 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1sx4 h ALA 92 Cb 0.09 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1sx4 h ALA 92 CO -0.13 -0.40 0.08 1.15 0.00 0.00 0.00 179.25 179.95 1sx4 h THR 93 N 0.11 1.17 -0.97 0.00 2.02 -0.86 -0.13 112.91 114.25 1sx4 h THR 93 Ca 0.35 -0.52 0.08 0.00 0.77 0.00 0.00 66.41 67.10 1sx4 h THR 93 Cb 0.58 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1sx4 h THR 93 CO -0.58 0.17 0.61 0.58 0.37 0.00 0.00 175.52 176.68 1sx4 h VAL 94 N 0.18 1.02 0.02 3.16 2.07 -0.02 -0.31 116.25 122.36 1sx4 h VAL 94 Ca 0.07 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 67.02 1sx4 h VAL 94 Cb 0.19 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1sx4 h VAL 94 CO -0.00 0.19 -0.92 -0.07 0.02 0.00 0.00 177.57 176.79 1sx4 h LEU 95 N 1.06 0.17 -0.77 2.57 3.38 -0.47 -2.87 115.31 118.38 1sx4 h LEU 95 Ca 0.44 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1sx4 h LEU 95 Cb 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sx4 h LEU 95 CO -0.21 1.00 -0.15 0.00 0.09 0.00 0.00 178.44 179.17 1sx4 h ALA 96 N 0.99 0.96 -0.59 1.53 0.00 -0.20 -0.97 119.26 120.97 1sx4 h ALA 96 Ca -0.04 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1sx4 h ALA 96 Cb 1.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1sx4 h ALA 96 CO 0.13 0.61 -0.01 0.37 0.00 0.00 0.00 179.25 180.35 1sx4 h GLN 97 N 0.68 1.04 -0.39 0.00 4.15 -1.07 -0.40 115.11 119.12 1sx4 h GLN 97 Ca 0.11 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1sx4 h GLN 97 Cb 0.64 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1sx4 h GLN 97 CO 0.04 1.03 0.23 0.00 -1.93 0.00 0.00 178.83 178.20 1sx4 h ALA 98 N 1.02 0.50 -0.05 3.38 0.00 -0.98 0.31 119.26 123.44 1sx4 h ALA 98 Ca 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sx4 h ALA 98 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sx4 h ALA 98 CO 0.03 0.01 -0.12 0.82 0.00 0.00 0.00 179.25 180.00 1sx4 h ILE 99 N 0.51 1.43 -0.71 0.00 2.04 -1.26 -3.20 117.51 116.31 1sx4 h ILE 99 Ca 0.14 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 1sx4 h ILE 99 Cb 0.03 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1sx4 h ILE 99 CO -0.02 0.40 0.30 0.40 0.00 0.00 0.00 178.15 179.22 1sx4 h ILE 100 N -0.34 1.24 -0.23 -0.67 2.04 -0.58 0.22 117.51 119.19 1sx4 h ILE 100 Ca 0.00 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1sx4 h ILE 100 Cb 0.70 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1sx4 h ILE 100 CO 0.03 0.30 0.01 0.74 0.00 0.00 0.00 178.15 179.22 1sx4 h THR 101 N 1.03 0.84 0.09 -0.27 2.02 -0.48 -2.16 112.91 113.99 1sx4 h THR 101 Ca 0.24 -0.03 -0.32 0.00 0.77 0.00 0.00 66.41 67.08 1sx4 h THR 101 Cb 0.18 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1sx4 h THR 101 CO -0.02 0.01 -1.68 -0.33 0.37 0.00 0.00 175.52 173.87 1sx4 h GLU 102 N 0.08 0.19 -0.41 6.66 4.39 -1.22 -1.86 114.58 122.41 1sx4 h GLU 102 Ca 0.11 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1sx4 h GLU 102 Cb 0.13 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1sx4 h GLU 102 CO -0.18 0.98 -0.08 0.78 -1.16 0.00 0.00 179.01 179.36 1sx4 h GLY 103 N 2.01 0.77 2.00 -3.84 0.00 -0.67 -2.09 103.07 101.25 1sx4 h GLY 103 Ca -0.30 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.33 1sx4 h GLY 103 CO 0.12 0.51 -0.72 -2.00 0.00 0.00 0.00 176.54 174.44 1sx4 h LEU 104 N 0.66 0.00 -0.35 3.11 5.85 -1.39 -2.15 115.31 121.04 1sx4 h LEU 104 Ca 0.12 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1sx4 h LEU 104 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1sx4 h LEU 104 CO 0.03 0.72 -0.15 0.11 -0.34 0.00 0.00 178.44 178.81 1sx4 h LYS 105 N 0.00 0.72 -0.38 1.25 1.57 -1.15 -2.99 116.57 115.59 1sx4 h LYS 105 Ca -0.01 -0.31 0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1sx4 h LYS 105 Cb 1.52 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 1sx4 h LYS 105 CO 0.09 0.91 -0.01 0.00 -0.57 0.00 0.00 179.45 179.88 1sx4 h ALA 106 N 0.79 0.34 -0.36 3.86 0.00 -1.21 -1.30 119.26 121.39 1sx4 h ALA 106 Ca 0.08 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1sx4 h ALA 106 Cb 0.69 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1sx4 h ALA 106 CO 0.05 -0.40 -0.04 -0.39 0.00 0.00 0.00 179.25 178.46 1sx4 h VAL 107 N 0.09 1.22 0.00 0.00 -1.51 -1.42 0.19 116.25 114.83 1sx4 h VAL 107 Ca 0.19 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1sx4 h VAL 107 Cb 0.27 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1sx4 h VAL 107 CO -0.32 0.31 0.00 0.00 -1.23 0.00 0.00 177.57 176.33 1sx4 h ALA 108 N 1.41 1.00 0.00 5.19 0.00 -1.28 -2.30 119.26 123.28 1sx4 h ALA 108 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 108 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sx4 h ALA 108 CO 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.90 1sx4 n ALA 109 N -1.91 3.06 -0.72 0.00 0.00 0.65 -4.93 120.51 116.66 1sx4 n ALA 109 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1sx4 n ALA 109 Cb 0.33 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.46 1.14 4.00 0.00 0.00 -0.86 -5.09 105.19 105.85 1sx4 n GLY 110 Ca 0.06 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 1sx4 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 111 N -1.66 2.91 -0.46 1.61 -1.94 -1.09 -5.05 119.30 113.62 1sx4 s MET 111 Ca 0.00 -1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 52.53 1sx4 s MET 111 Cb 0.00 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 34.09 1sx4 s MET 111 CO 0.00 -0.18 1.17 1.21 -0.01 0.00 0.00 175.02 177.20 1sx4 s ASN 112 N -4.30 6.62 0.34 3.03 3.84 -1.26 -4.53 114.94 118.69 1sx4 s ASN 112 Ca 0.52 0.54 0.12 0.00 0.21 0.00 0.00 52.86 54.25 1sx4 s ASN 112 Cb -0.10 -2.55 0.93 0.00 -0.55 0.00 0.00 41.25 38.98 1sx4 s ASN 112 CO 0.33 -1.25 1.76 -0.65 -2.79 0.00 0.00 177.10 174.49 1sx4 h PRO 113 N 9.32 0.54 -0.05 0.43 0.11 -1.92 -2.05 132.00 138.38 1sx4 h PRO 113 Ca -0.23 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 1sx4 h PRO 113 Cb 1.06 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.06 1sx4 h PRO 113 CO 1.12 0.36 -0.87 1.98 -0.21 0.00 0.00 178.00 180.38 1sx4 h MET 114 N 0.56 0.54 -0.43 1.05 4.05 -1.93 -1.71 114.93 117.06 1sx4 h MET 114 Ca 0.60 -0.51 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 1sx4 h MET 114 Cb 1.23 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1sx4 h MET 114 CO -0.38 1.14 -0.12 -0.44 0.23 0.00 0.00 176.91 177.34 1sx4 h ASP 115 N 0.34 0.78 -0.39 1.39 3.32 -1.83 -2.21 116.42 117.82 1sx4 h ASP 115 Ca -0.07 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 1sx4 h ASP 115 Cb 1.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1sx4 h ASP 115 CO 0.16 0.92 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.44 1sx4 h LEU 116 N 0.71 0.76 -0.02 1.55 3.38 -0.82 -0.74 115.31 120.13 1sx4 h LEU 116 Ca 0.12 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1sx4 h LEU 116 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1sx4 h LEU 116 CO 0.04 0.94 -0.11 0.50 0.09 0.00 0.00 178.44 179.90 1sx4 h LYS 117 N 0.56 -0.17 -0.22 1.13 3.64 -1.34 -1.77 116.57 118.40 1sx4 h LYS 117 Ca 0.10 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1sx4 h LYS 117 Cb 0.61 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1sx4 h LYS 117 CO 0.04 -0.12 -0.24 -0.09 -2.27 0.00 0.00 179.45 176.78 1sx4 h ARG 118 N -0.18 -0.13 -0.22 1.90 2.43 -0.56 0.49 114.38 118.11 1sx4 h ARG 118 Ca 0.05 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1sx4 h ARG 118 Cb 0.24 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1sx4 h ARG 118 CO -0.12 -0.09 -0.13 0.41 -1.51 0.00 0.00 179.97 178.53 1sx4 n GLY 119 N -1.15 -2.22 0.35 2.80 0.00 -0.41 -0.51 105.19 104.06 1sx4 n GLY 119 Ca -0.01 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.59 1sx4 n GLY 119 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sx4 h ILE 120 N 0.00 0.06 0.00 -0.61 2.04 -1.08 -1.49 117.51 116.42 1sx4 h ILE 120 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1sx4 h ILE 120 Cb 0.09 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1sx4 h ILE 120 CO -0.20 0.00 -0.15 0.44 0.00 0.00 0.00 178.15 178.24 1sx4 h ASP 121 N -0.02 0.00 0.19 1.72 3.32 0.15 0.01 116.42 121.79 1sx4 h ASP 121 Ca 0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1sx4 h ASP 121 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1sx4 h ASP 121 CO -0.94 0.15 -0.09 0.50 -1.72 0.00 0.00 179.24 177.14 1sx4 h LYS 122 N 0.00 -0.25 -0.78 3.56 3.64 -0.02 -1.71 116.57 121.02 1sx4 h LYS 122 Ca -0.00 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 1sx4 h LYS 122 Cb 0.62 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.37 1sx4 h LYS 122 CO 0.02 0.12 0.09 0.00 -2.27 0.00 0.00 179.45 177.42 1sx4 h ALA 123 N -0.49 0.93 0.55 5.00 0.00 -0.93 0.13 119.26 124.44 1sx4 h ALA 123 Ca -0.03 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 123 Cb 0.49 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sx4 h ALA 123 CO 0.04 -0.41 -0.26 0.28 0.00 0.00 0.00 179.25 178.90 1sx4 h VAL 124 N 0.16 0.45 -0.92 0.00 2.07 -1.07 -1.19 116.25 115.75 1sx4 h VAL 124 Ca 0.44 -0.07 0.26 0.00 0.82 0.00 0.00 66.70 68.15 1sx4 h VAL 124 Cb 0.80 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.91 1sx4 h VAL 124 CO -0.63 0.01 0.37 0.74 0.02 0.00 0.00 177.57 178.08 1sx4 h THR 125 N -0.79 0.33 -0.05 2.57 2.02 -0.14 0.24 112.91 117.10 1sx4 h THR 125 Ca -0.08 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.81 1sx4 h THR 125 Cb 0.59 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1sx4 h THR 125 CO 0.12 0.05 -0.75 0.00 0.37 0.00 0.00 175.52 175.32 1sx4 h ALA 126 N 1.80 0.16 -0.03 6.16 0.00 -0.70 -2.54 119.26 124.10 1sx4 h ALA 126 Ca 0.61 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1sx4 h ALA 126 Cb 1.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1sx4 h ALA 126 CO -0.62 0.52 -0.74 0.00 0.00 0.00 0.00 179.25 178.41 1sx4 h ALA 127 N 0.42 0.70 0.16 0.00 0.00 0.13 -1.48 119.26 119.18 1sx4 h ALA 127 Ca -0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1sx4 h ALA 127 Cb 1.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1sx4 h ALA 127 CO 0.15 0.83 -0.09 0.28 0.00 0.00 0.00 179.25 180.42 1sx4 h VAL 128 N 0.13 0.80 -0.26 0.00 2.07 -0.52 -0.22 116.25 118.25 1sx4 h VAL 128 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1sx4 h VAL 128 Cb 1.30 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1sx4 h VAL 128 CO 0.11 0.00 -0.54 -0.08 0.02 0.00 0.00 177.57 177.08 1sx4 h GLU 129 N -0.24 -0.47 -0.91 1.57 4.57 -1.32 -1.77 114.58 116.00 1sx4 h GLU 129 Ca -0.02 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.44 1sx4 h GLU 129 Cb 0.20 0.11 -0.16 0.00 -0.16 0.00 0.00 28.75 28.73 1sx4 h GLU 129 CO 0.02 -0.31 0.05 0.93 -1.18 0.00 0.00 179.01 178.52 1sx4 h GLU 130 N -0.49 0.06 -0.91 1.92 4.39 -0.84 1.16 114.58 119.88 1sx4 h GLU 130 Ca 0.05 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.87 1sx4 h GLU 130 Cb 0.63 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 1sx4 h GLU 130 CO -0.51 0.04 0.54 -0.07 -1.16 0.00 0.00 179.01 177.85 1sx4 h LEU 131 N 0.06 0.75 -1.56 1.33 4.07 -0.61 0.51 115.31 119.87 1sx4 h LEU 131 Ca 0.54 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.54 1sx4 h LEU 131 Cb 1.08 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1sx4 h LEU 131 CO -0.82 0.39 0.02 0.11 -1.08 0.00 0.00 178.44 177.06 1sx4 h LYS 132 N 0.84 0.30 -0.04 1.13 1.57 0.22 -0.75 116.57 119.85 1sx4 h LYS 132 Ca 0.46 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 59.05 1sx4 h LYS 132 Cb 0.50 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1sx4 h LYS 132 CO -0.28 0.31 -0.55 0.00 -0.57 0.00 0.00 179.45 178.36 1sx4 h ALA 133 N 1.73 0.12 -0.53 3.86 0.00 -0.68 -3.29 119.26 120.47 1sx4 h ALA 133 Ca 0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1sx4 h ALA 133 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1sx4 h ALA 133 CO 0.00 0.35 0.13 1.25 0.00 0.00 0.00 179.25 180.98 1sx4 h LEU 134 N -0.04 0.76 -9.33 0.00 5.85 -0.68 -3.45 115.31 108.42 1sx4 h LEU 134 Ca -0.06 -0.13 -0.65 0.00 0.84 0.00 0.00 57.88 57.88 1sx4 h LEU 134 Cb 1.23 -0.20 0.07 0.00 0.37 0.00 0.00 40.66 42.13 1sx4 h LEU 134 CO 0.11 0.74 0.36 -0.24 -0.34 0.00 0.00 178.44 179.07 1sx4 n SER 135 N -4.28 1.55 -4.51 1.25 2.88 -0.31 -4.94 113.62 105.27 1sx4 n SER 135 Ca 0.04 1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 58.37 1sx4 n SER 135 Cb 0.22 -1.22 -0.12 0.00 -0.75 0.00 0.00 64.21 62.34 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 0.06 4.04 0.89 2.46 1.01 -0.92 -4.91 120.40 123.03 1sx4 s VAL 136 Ca 0.77 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 1sx4 s VAL 136 Cb -0.87 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 32.85 1sx4 s VAL 136 CO 0.50 0.47 1.15 -2.84 0.00 0.00 0.00 175.10 174.38 1sx4 s PRO 137 N 0.51 1.22 -0.22 2.72 0.02 -1.26 -1.60 135.00 136.38 1sx4 s PRO 137 Ca -0.02 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.51 1sx4 s PRO 137 Cb -0.14 -1.75 0.07 0.00 0.02 0.00 0.00 34.50 32.70 1sx4 s PRO 137 CO 0.02 -2.48 0.07 0.00 -0.33 0.00 0.00 177.00 174.28 1sx4 n SER 139 N 5.08 1.77 -4.87 0.00 2.88 -1.26 -4.27 113.62 112.95 1sx4 n SER 139 Ca -0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.16 1sx4 n SER 139 Cb 0.46 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 -3.94 5.71 0.29 -3.46 1.47 -1.26 -4.82 116.67 110.66 1sx4 s ASP 140 Ca 0.00 1.30 0.03 0.00 1.18 0.00 0.00 52.55 55.06 1sx4 s ASP 140 Cb 0.00 -2.20 0.69 0.00 -0.34 0.00 0.00 42.92 41.07 1sx4 s ASP 140 CO 0.00 -1.19 1.74 0.28 0.68 0.00 0.00 175.17 176.68 1sx4 h SER 141 N -0.55 0.54 0.15 2.11 0.02 -1.99 -0.76 113.55 113.08 1sx4 h SER 141 Ca -0.45 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1sx4 h SER 141 Cb 1.22 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1sx4 h SER 141 CO 0.62 0.15 -0.40 0.50 -1.14 0.00 0.00 176.83 176.56 1sx4 h LYS 142 N 0.58 -0.63 -0.78 3.45 3.64 -1.99 -1.99 116.57 118.85 1sx4 h LYS 142 Ca 0.54 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.95 1sx4 h LYS 142 Cb 0.92 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1sx4 h LYS 142 CO -0.44 -0.42 0.41 0.00 -2.27 0.00 0.00 179.45 176.74 1sx4 h ALA 143 N -0.15 1.26 0.39 5.00 0.00 -1.58 0.07 119.26 124.25 1sx4 h ALA 143 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sx4 h ALA 143 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1sx4 h ALA 143 CO -0.21 0.59 -0.32 0.82 0.00 0.00 0.00 179.25 180.13 1sx4 h ILE 144 N 1.09 0.34 -0.39 0.00 1.08 -1.06 -0.66 117.51 117.90 1sx4 h ILE 144 Ca 0.27 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.68 1sx4 h ILE 144 Cb 0.04 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1sx4 h ILE 144 CO -0.04 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.39 1sx4 h ALA 145 N -0.22 1.23 -0.21 1.87 0.00 -1.03 -1.28 119.26 119.63 1sx4 h ALA 145 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sx4 h ALA 145 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sx4 h ALA 145 CO -0.02 0.51 0.00 0.94 0.00 0.00 0.00 179.25 180.68 1sx4 n GLN 146 N -4.23 0.00 -0.06 0.00 -0.06 -0.02 -0.19 117.38 112.82 1sx4 n GLN 146 Ca 0.02 0.84 -0.03 0.00 -2.00 0.00 0.00 57.00 55.83 1sx4 n GLN 146 Cb 0.29 -1.47 0.20 0.00 -4.06 0.00 0.00 30.24 25.20 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 1.23 0.09 1.69 -1.51 -0.62 -1.41 116.25 115.72 1sx4 h VAL 147 Ca 0.00 -0.98 0.01 0.00 -1.23 0.00 0.00 66.70 64.51 1sx4 h VAL 147 Cb 0.00 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 30.06 1sx4 h VAL 147 CO 0.00 0.34 -0.54 1.23 -1.23 0.00 0.00 177.57 177.37 1sx4 h GLY 148 N 0.94 -1.16 0.86 5.19 0.00 -1.25 0.19 103.07 107.84 1sx4 h GLY 148 Ca 0.12 0.65 0.03 0.00 0.00 0.00 0.00 47.33 48.14 1sx4 h GLY 148 CO 0.02 -0.26 0.45 -0.91 0.00 0.00 0.00 176.54 175.84 1sx4 h THR 149 N -0.74 1.09 -0.51 4.70 1.35 0.15 0.22 112.91 119.18 1sx4 h THR 149 Ca -0.00 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 1sx4 h THR 149 Cb 0.76 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 1sx4 h THR 149 CO -0.31 0.16 0.20 0.40 -0.25 0.00 0.00 175.52 175.72 1sx4 h ILE 150 N 0.87 1.22 0.00 6.82 2.04 -1.10 -1.73 117.51 125.63 1sx4 h ILE 150 Ca 0.29 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1sx4 h ILE 150 Cb 0.03 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1sx4 h ILE 150 CO -0.11 0.26 -0.02 -1.28 0.00 0.00 0.00 178.15 177.00 1sx4 h SER 151 N 0.68 0.00 -0.51 1.72 0.87 0.10 -0.52 113.55 115.89 1sx4 h SER 151 Ca 0.17 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1sx4 h SER 151 Cb 0.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1sx4 h SER 151 CO -0.01 0.02 0.09 0.00 -0.53 0.00 0.00 176.83 176.40 1sx4 n ALA 152 N -2.10 3.91 -2.28 6.23 0.00 -0.00 -4.46 120.51 121.80 1sx4 n ALA 152 Ca -0.00 -2.34 -0.01 0.00 0.00 0.00 0.00 53.44 51.09 1sx4 n ALA 152 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.23 -4.85 0.00 0.00 4.05 -0.20 -3.79 115.26 110.24 1sx4 n ASN 153 Ca 0.31 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.29 1sx4 n ASN 153 Cb 1.16 -3.13 0.00 0.00 1.23 0.00 0.00 39.78 39.04 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 -1.45 -3.78 -4.50 1.20 7.64 -0.70 -4.89 113.62 107.14 1sx4 n SER 154 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1sx4 n SER 154 Cb 0.50 -2.81 -0.04 0.00 -1.01 0.00 0.00 64.21 60.85 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 -1.70 6.26 0.52 6.43 -1.08 -1.23 -4.93 116.67 120.95 1sx4 s ASP 155 Ca 0.00 -0.61 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 1sx4 s ASP 155 Cb 0.00 -2.43 1.43 0.00 -1.46 0.00 0.00 42.92 40.46 1sx4 s ASP 155 CO 0.00 -1.33 2.10 -0.33 0.52 0.00 0.00 175.17 176.14 1sx4 h GLU 156 N 9.43 0.00 -0.16 4.34 5.08 -1.90 -2.91 114.58 128.47 1sx4 h GLU 156 Ca -0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 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 1.13 0.10 -0.41 1.79 -1.00 0.00 0.00 179.01 180.62 1sx4 h THR 157 N 0.00 1.31 -0.29 1.13 1.35 -1.98 -2.33 112.91 112.10 1sx4 h THR 157 Ca -0.00 -1.56 -0.09 0.00 -0.55 0.00 0.00 66.41 64.21 1sx4 h THR 157 Cb 0.24 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1sx4 h THR 157 CO 0.01 0.47 -0.17 0.58 -0.25 0.00 0.00 175.52 176.16 1sx4 h VAL 158 N 0.30 1.30 -0.53 6.82 2.07 -1.89 -2.19 116.25 122.13 1sx4 h VAL 158 Ca 0.03 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.34 1sx4 h VAL 158 Cb 0.86 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1sx4 h VAL 158 CO 0.07 0.41 0.13 1.23 0.02 0.00 0.00 177.57 179.43 1sx4 h GLY 159 N 0.39 0.67 0.60 2.17 0.00 -1.53 -2.81 103.07 102.55 1sx4 h GLY 159 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1sx4 h GLY 159 CO 0.05 -0.06 -0.40 1.70 0.00 0.00 0.00 176.54 177.83 1sx4 h LYS 160 N 0.27 -0.79 -0.99 4.80 3.64 -1.31 -2.30 116.57 119.89 1sx4 h LYS 160 Ca 0.27 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.80 1sx4 h LYS 160 Cb 0.35 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1sx4 h LYS 160 CO -0.33 -0.53 0.63 -0.07 -2.27 0.00 0.00 179.45 176.88 1sx4 h LEU 161 N -0.82 0.95 0.53 5.20 4.07 -1.24 0.29 115.31 124.29 1sx4 h LEU 161 Ca -0.04 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1sx4 h LEU 161 Cb 0.73 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.32 1sx4 h LEU 161 CO -0.06 0.54 -0.25 0.40 -1.08 0.00 0.00 178.44 177.99 1sx4 h ILE 162 N 1.05 0.41 -0.91 1.22 2.04 -1.54 -0.75 117.51 119.03 1sx4 h ILE 162 Ca 0.47 -0.29 0.25 0.00 1.00 0.00 0.00 64.86 66.29 1sx4 h ILE 162 Cb 0.37 0.52 -0.14 0.00 -0.74 0.00 0.00 36.82 36.83 1sx4 h ILE 162 CO -0.23 0.04 0.34 0.00 0.00 0.00 0.00 178.15 178.30 1sx4 h ALA 163 N -0.55 1.45 -0.21 1.87 0.00 -0.62 0.26 119.26 121.46 1sx4 h ALA 163 Ca -0.07 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 163 Cb 0.61 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 163 CO 0.12 -0.46 -0.33 0.93 0.00 0.00 0.00 179.25 179.51 1sx4 h GLU 164 N 0.28 0.60 0.71 0.00 5.08 -0.28 -1.86 114.58 119.11 1sx4 h GLU 164 Ca 0.59 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1sx4 h GLU 164 Cb 1.22 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sx4 h GLU 164 CO -0.62 0.97 -0.36 0.00 -1.00 0.00 0.00 179.01 178.00 1sx4 h ALA 165 N 0.63 -0.98 -0.99 3.43 0.00 0.53 -1.77 119.26 120.10 1sx4 h ALA 165 Ca 0.02 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.94 1sx4 h ALA 165 Cb 0.91 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1sx4 h ALA 165 CO 0.08 -1.06 0.63 0.52 0.00 0.00 0.00 179.25 179.42 1sx4 h MET 166 N -0.98 0.53 0.00 0.00 2.86 -1.14 0.90 114.93 117.11 1sx4 h MET 166 Ca -0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1sx4 h MET 166 Cb 0.76 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1sx4 h MET 166 CO 0.15 0.35 -0.06 0.22 1.06 0.00 0.00 176.91 178.63 1sx4 h ASP 167 N 0.55 0.00 0.00 1.22 3.58 -0.71 0.36 116.42 121.42 1sx4 h ASP 167 Ca 0.57 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.69 1sx4 h ASP 167 Cb 1.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1sx4 h ASP 167 CO -0.32 0.06 -2.25 0.29 -2.88 0.00 0.00 179.24 174.14 1sx4 n LYS 168 N -3.51 0.55 0.00 0.28 5.02 0.31 -4.67 118.16 116.12 1sx4 n LYS 168 Ca -0.02 0.13 0.05 0.00 -2.02 0.00 0.00 58.31 56.45 1sx4 n LYS 168 Cb 0.18 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.17 0.00 0.00 -0.18 3.14 -0.67 -5.12 118.33 112.33 1sx4 n VAL 169 Ca -0.39 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.57 1sx4 n VAL 169 Cb 0.91 1.15 0.00 0.00 -1.06 0.00 0.00 33.84 34.84 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 0.84 1.65 0.00 7.55 0.00 0.13 -2.90 105.19 112.46 1sx4 n GLY 170 Ca 0.05 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 1.52 0.02 -0.04 1.61 5.02 -1.25 -3.18 118.16 121.85 1sx4 n LYS 171 Ca 0.00 0.21 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 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 0.93 -0.52 0.00 0.00 177.40 177.81 1sx4 h GLU 172 N 0.00 0.00 0.00 1.97 3.07 -1.92 -3.50 114.58 114.20 1sx4 h GLU 172 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sx4 h GLU 172 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1sx4 h GLU 172 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1sx4 n GLY 173 N 1.71 0.00 3.64 -3.84 0.00 -1.14 -4.72 105.19 100.84 1sx4 n GLY 173 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 4.00 -0.24 1.61 1.01 -1.26 -4.87 120.40 120.64 1sx4 s VAL 174 Ca 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1sx4 s VAL 174 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1sx4 s VAL 174 CO 0.00 -0.25 -0.05 -0.63 0.00 0.00 0.00 175.10 174.16 1sx4 s ILE 175 N 4.23 2.99 0.40 2.22 1.01 -1.26 -0.36 121.20 130.43 1sx4 s ILE 175 Ca 0.62 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1sx4 s ILE 175 Cb -0.23 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 1sx4 s ILE 175 CO 0.23 0.24 0.09 0.42 0.00 0.00 0.00 174.94 175.91 1sx4 s THR 176 N 1.36 2.22 -0.09 2.92 -4.23 -0.15 -4.97 115.64 112.70 1sx4 s THR 176 Ca 0.01 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1sx4 s THR 176 Cb -0.16 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.71 1sx4 s THR 176 CO -0.04 -0.03 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.08 1sx4 s VAL 177 N -2.64 2.01 0.30 2.29 1.01 -1.26 0.02 120.40 122.14 1sx4 s VAL 177 Ca 0.38 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 177 Cb 0.06 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 1sx4 s VAL 177 CO 0.20 0.55 -0.15 -1.61 0.00 0.00 0.00 175.10 174.09 1sx4 s GLU 178 N 0.21 1.75 0.26 2.72 2.02 -0.07 -4.94 118.70 120.65 1sx4 s GLU 178 Ca -0.14 -1.82 -0.30 0.00 0.02 0.00 0.00 54.97 52.72 1sx4 s GLU 178 Cb -0.17 -1.76 -0.11 0.00 0.10 0.00 0.00 34.13 32.20 1sx4 s GLU 178 CO 0.07 0.26 1.52 -0.51 0.02 0.00 0.00 175.26 176.62 1sx4 s ASP 179 N -3.55 6.53 0.43 -0.19 1.11 -1.26 -2.44 116.67 117.30 1sx4 s ASP 179 Ca 0.31 2.78 -0.12 0.00 0.18 0.00 0.00 52.55 55.70 1sx4 s ASP 179 Cb -0.02 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.27 1sx4 s ASP 179 CO 0.16 -0.80 0.83 -0.83 1.18 0.00 0.00 175.17 175.70 1sx4 s GLY 180 N 0.50 1.98 -0.01 0.21 0.00 -0.44 -4.66 107.32 104.90 1sx4 s GLY 180 Ca 0.62 -0.10 0.13 0.00 0.00 0.00 0.00 44.72 45.37 1sx4 s GLY 180 CO 0.44 0.11 0.37 -1.30 0.00 0.00 0.00 173.10 172.72 1sx4 n THR 181 N -1.37 0.00 -2.00 0.90 -2.24 -1.26 -4.85 114.28 103.46 1sx4 n THR 181 Ca 0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1sx4 n THR 181 Cb 0.54 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.60 4.96 0.03 3.38 0.00 -1.26 -5.02 105.19 108.88 1sx4 n GLY 182 Ca -0.01 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.53 -4.77 0.99 7.94 -1.26 -3.46 117.00 116.97 1sx4 n LEU 183 Ca 0.00 -0.07 -0.39 0.00 -1.11 0.00 0.00 56.01 54.44 1sx4 n LEU 183 Cb 0.00 -0.05 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 1sx4 n LEU 183 CO 0.00 0.05 0.36 -1.10 -1.11 0.00 0.00 177.39 175.59 1sx4 s GLN 184 N -3.26 4.38 0.54 1.96 -1.52 -1.26 -3.46 119.66 117.03 1sx4 s GLN 184 Ca 0.01 0.89 -0.20 0.00 -1.95 0.00 0.00 55.36 54.11 1sx4 s GLN 184 Cb 0.14 -3.30 -0.05 0.00 -0.22 0.00 0.00 33.01 29.57 1sx4 s GLN 184 CO 0.84 0.46 1.17 -0.51 -0.25 0.00 0.00 175.29 177.01 1sx4 s ASP 185 N -0.60 5.65 0.07 5.90 1.01 -1.26 -3.84 116.67 123.59 1sx4 s ASP 185 Ca 0.33 2.30 0.04 0.00 0.71 0.00 0.00 52.55 55.94 1sx4 s ASP 185 Cb -0.20 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1sx4 s ASP 185 CO 0.21 -1.28 -0.12 -1.61 0.21 0.00 0.00 175.17 172.58 1sx4 s GLU 186 N -3.14 0.79 -0.13 8.23 2.02 -0.94 -4.94 118.70 120.59 1sx4 s GLU 186 Ca 0.72 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1sx4 s GLU 186 Cb -0.28 -0.70 0.03 0.00 0.10 0.00 0.00 34.13 33.29 1sx4 s GLU 186 CO 0.32 0.14 -0.05 -1.17 0.02 0.00 0.00 175.26 174.52 1sx4 s LEU 187 N -1.87 1.24 -0.02 1.80 0.20 -1.26 -1.13 118.68 117.63 1sx4 s LEU 187 Ca -0.01 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.44 1sx4 s LEU 187 Cb -0.09 -0.80 -0.01 0.00 -0.43 0.00 0.00 46.19 44.87 1sx4 s LEU 187 CO 0.02 -0.16 -0.13 -1.81 -0.29 0.00 0.00 176.35 173.98 1sx4 s ASP 188 N 1.73 1.64 0.18 3.68 1.01 -0.64 -5.01 116.67 119.26 1sx4 s ASP 188 Ca 0.03 -0.26 -0.10 0.00 0.71 0.00 0.00 52.55 52.94 1sx4 s ASP 188 Cb -0.14 -0.31 -0.07 0.00 1.01 0.00 0.00 42.92 43.42 1sx4 s ASP 188 CO -0.08 0.14 0.51 0.68 0.21 0.00 0.00 175.17 176.63 1sx4 s VAL 189 N -0.12 4.97 0.00 -1.27 -7.23 -1.26 -0.60 120.40 114.90 1sx4 s VAL 189 Ca 0.01 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.44 1sx4 s VAL 189 Cb -0.07 -3.65 0.05 0.00 0.56 0.00 0.00 36.38 33.27 1sx4 s VAL 189 CO 0.00 0.06 0.52 0.54 -0.31 0.00 0.00 175.10 175.91 1sx4 s VAL 190 N -1.67 0.03 0.20 1.32 0.11 -0.64 -4.96 120.40 114.79 1sx4 s VAL 190 Ca 0.43 -0.23 -0.32 0.00 -2.93 0.00 0.00 61.98 58.92 1sx4 s VAL 190 Cb -0.12 -0.90 -0.13 0.00 -1.53 0.00 0.00 36.38 33.69 1sx4 s VAL 190 CO 0.21 -0.13 1.53 -0.62 -3.33 0.00 0.00 175.10 172.76 1sx4 n GLU 191 N 0.75 2.20 -1.36 1.54 -0.58 -1.26 -1.48 120.64 120.45 1sx4 n GLU 191 Ca -0.19 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1sx4 n GLU 191 Cb 0.58 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 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 2.90 -0.64 0.00 0.62 0.00 -1.26 -1.65 105.19 105.16 1sx4 n GLY 192 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.81 1.61 1.56 -0.99 -4.52 117.12 110.97 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 -0.14 0.00 2.15 0.00 0.00 33.22 35.23 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 0.08 0.03 2.12 0.74 -1.26 -0.88 119.66 118.49 1sx4 s GLN 194 Ca 0.00 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.61 1sx4 s GLN 194 Cb 0.00 -0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 1sx4 s GLN 194 CO 0.00 -0.07 -0.06 -0.59 -0.55 0.00 0.00 175.29 174.02 1sx4 s PHE 195 N 0.44 0.52 -1.15 1.67 -0.71 0.99 -4.99 117.98 114.75 1sx4 s PHE 195 Ca -0.03 -0.49 -0.13 0.00 -1.04 0.00 0.00 56.93 55.24 1sx4 s PHE 195 Cb -0.05 -0.32 -0.07 0.00 -1.21 0.00 0.00 43.02 41.37 1sx4 s PHE 195 CO -0.02 -0.12 2.27 -0.25 -1.34 0.00 0.00 175.22 175.76 1sx4 n ASP 196 N 1.57 4.87 -3.93 1.98 8.00 -1.26 -1.39 116.55 126.39 1sx4 n ASP 196 Ca -0.23 -2.58 -0.11 0.00 0.71 0.00 0.00 54.79 52.58 1sx4 n ASP 196 Cb 0.55 -1.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.20 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 3.52 0.18 0.42 -1.24 1.81 -1.19 -4.90 118.95 117.56 1sx4 s ARG 197 Ca 0.52 -0.29 0.07 0.00 -1.72 0.00 0.00 55.73 54.32 1sx4 s ARG 197 Cb 0.14 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1sx4 s ARG 197 CO -0.01 -0.01 0.24 0.20 -0.68 0.00 0.00 175.30 175.04 1sx4 s GLY 198 N -0.65 2.29 0.62 -3.53 0.00 -1.26 -1.55 107.32 103.25 1sx4 s GLY 198 Ca -0.06 -2.01 -0.18 0.00 0.00 0.00 0.00 44.72 42.46 1sx4 s GLY 198 CO -0.00 -1.86 1.04 1.58 0.00 0.00 0.00 173.10 173.87 1sx4 n TYR 199 N -1.34 1.08 1.21 1.90 0.18 -0.76 -4.36 117.16 115.07 1sx4 n TYR 199 Ca 0.00 0.43 0.13 0.00 1.88 0.00 0.00 57.90 60.34 1sx4 n TYR 199 Cb 0.64 -2.17 0.38 0.00 -0.38 0.00 0.00 39.34 37.81 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 -1.12 0.87 -3.64 -3.48 4.77 -1.05 -4.83 117.00 108.52 1sx4 n LEU 200 Ca 0.15 -0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1sx4 n LEU 200 Cb 0.48 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1sx4 n LEU 200 CO 0.48 0.17 0.43 -0.55 -1.33 0.00 0.00 177.39 176.59 1sx4 s SER 201 N -2.60 -0.85 0.62 -1.43 0.15 -1.26 -5.04 113.70 103.30 1sx4 s SER 201 Ca 0.22 1.34 0.34 0.00 0.70 0.00 0.00 55.95 58.56 1sx4 s SER 201 Cb 0.19 1.39 1.97 0.00 -1.71 0.00 0.00 66.02 67.86 1sx4 s SER 201 CO 0.55 -0.21 2.23 -0.65 1.20 0.00 0.00 173.24 176.36 1sx4 h PRO 202 N 6.82 0.00 0.00 5.44 0.11 -2.01 -1.10 132.00 141.26 1sx4 h PRO 202 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 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 0.17 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.62 1sx4 n TYR 203 N -3.51 0.00 0.16 0.65 4.01 -1.26 -1.96 117.16 115.25 1sx4 n TYR 203 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1sx4 n TYR 203 Cb 0.16 -0.39 0.22 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.65 -0.72 0.04 -1.54 -3.46 116.94 109.61 1sx4 h PHE 204 Ca 0.00 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.07 1sx4 h PHE 204 Cb 0.18 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.36 1sx4 h PHE 204 CO 0.00 0.50 0.75 -0.89 -0.60 0.00 0.00 178.31 178.06 1sx4 n ILE 205 N -3.53 0.20 0.46 -0.55 5.41 -0.83 -4.78 119.36 115.74 1sx4 n ILE 205 Ca -0.00 -0.04 0.05 0.00 1.00 0.00 0.00 62.75 63.77 1sx4 n ILE 205 Cb 0.60 -1.13 0.04 0.00 -0.71 0.00 0.00 39.64 38.44 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 1.86 -3.38 4.38 0.23 -1.19 -4.80 115.26 116.72 1sx4 n ASN 206 Ca 0.23 -1.43 -0.26 0.00 -0.53 0.00 0.00 54.58 52.59 1sx4 n ASN 206 Cb 0.17 0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.55 0.64 0.12 -3.83 5.02 -1.03 -4.99 118.16 114.64 1sx4 n LYS 207 Ca 0.06 -3.39 0.06 0.00 -2.02 0.00 0.00 58.31 53.02 1sx4 n LYS 207 Cb 0.27 -1.61 0.33 0.00 -0.02 0.00 0.00 35.03 34.00 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 2.19 0.08 0.16 1.97 -0.04 -1.26 -1.74 135.00 136.36 1sx4 n PRO 208 Ca 0.26 0.54 0.05 0.00 -0.04 0.00 0.00 63.50 64.31 1sx4 n PRO 208 Cb 0.48 -1.95 0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.55 114.58 113.68 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 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1sx4 h GLU 209 CO 0.00 0.36 -0.39 2.41 -1.40 0.00 0.00 179.01 180.00 1sx4 n THR 210 N -3.19 0.00 -3.94 1.13 -1.04 -0.71 -4.97 114.28 101.56 1sx4 n THR 210 Ca 0.02 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 1sx4 n THR 210 Cb 0.68 0.93 -0.01 0.00 -1.82 0.00 0.00 70.33 70.11 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 -0.38 3.25 3.41 0.00 -0.96 -4.96 105.19 106.93 1sx4 n GLY 211 Ca 0.11 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.88 -0.50 -0.15 4.61 0.00 -1.22 -4.45 121.76 116.16 1sx4 s ALA 212 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1sx4 s ALA 212 Cb -0.05 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1sx4 s ALA 212 CO 0.90 -0.54 -0.00 0.08 0.00 0.00 0.00 175.76 176.19 1sx4 s VAL 213 N -3.71 4.24 -0.27 0.00 1.01 -0.40 -2.46 120.40 118.81 1sx4 s VAL 213 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1sx4 s VAL 213 Cb 0.03 -2.86 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1sx4 s VAL 213 CO -0.11 0.50 0.08 -0.70 0.00 0.00 0.00 175.10 174.88 1sx4 s GLU 214 N 0.15 0.60 -0.12 2.72 2.12 -1.26 -0.72 118.70 122.19 1sx4 s GLU 214 Ca 0.01 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 1sx4 s GLU 214 Cb -0.13 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 1sx4 s GLU 214 CO 0.02 -0.88 0.04 -0.51 -0.54 0.00 0.00 175.26 173.39 1sx4 s LEU 215 N 1.79 3.75 -0.25 2.70 1.43 -0.82 -4.97 118.68 122.31 1sx4 s LEU 215 Ca 0.06 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1sx4 s LEU 215 Cb -0.17 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1sx4 s LEU 215 CO -0.22 0.31 0.03 -1.61 0.23 0.00 0.00 176.35 175.09 1sx4 s GLU 216 N -0.46 3.43 -1.41 1.70 2.02 -1.26 -2.61 118.70 120.11 1sx4 s GLU 216 Ca 0.09 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 1sx4 s GLU 216 Cb -0.12 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1sx4 s GLU 216 CO 0.02 -0.24 0.40 0.43 0.02 0.00 0.00 175.26 175.89 1sx4 n SER 217 N 4.86 -5.50 -4.78 -0.19 7.64 -0.99 -4.62 113.62 110.04 1sx4 n SER 217 Ca -0.17 -0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.15 1sx4 n SER 217 Cb 0.50 -4.39 -0.02 0.00 -1.01 0.00 0.00 64.21 59.29 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 -5.39 3.98 0.60 1.43 0.04 -1.19 -4.79 135.00 129.68 1sx4 s PRO 218 Ca 0.20 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 1sx4 s PRO 218 Cb -0.09 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1sx4 s PRO 218 CO 0.25 -0.34 1.15 -0.06 0.04 0.00 0.00 177.00 178.04 1sx4 s PHE 219 N -1.58 2.52 -0.20 0.56 0.08 -0.93 -2.87 117.98 115.56 1sx4 s PHE 219 Ca 0.60 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.20 1sx4 s PHE 219 Cb -0.26 -3.33 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1sx4 s PHE 219 CO 0.32 -1.87 -0.08 0.42 -0.10 0.00 0.00 175.22 173.91 1sx4 s ILE 220 N -1.87 1.46 -0.04 0.64 1.01 0.22 -0.75 121.20 121.88 1sx4 s ILE 220 Ca 0.73 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1sx4 s ILE 220 Cb -0.25 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1sx4 s ILE 220 CO 0.33 0.10 0.96 -0.22 0.00 0.00 0.00 174.94 176.11 1sx4 s LEU 221 N 1.47 4.33 -0.66 2.97 2.96 0.14 0.96 118.68 130.85 1sx4 s LEU 221 Ca -0.02 1.57 0.05 0.00 -0.22 0.00 0.00 54.13 55.51 1sx4 s LEU 221 Cb -0.17 -3.51 0.29 0.00 0.50 0.00 0.00 46.19 43.30 1sx4 s LEU 221 CO -0.08 -0.30 0.90 0.18 -1.32 0.00 0.00 176.35 175.73 1sx4 n LEU 222 N 4.22 4.30 -4.73 -0.68 4.77 -1.26 -0.75 117.00 122.88 1sx4 n LEU 222 Ca 0.06 -5.52 -0.40 0.00 -0.03 0.00 0.00 56.01 50.12 1sx4 n LEU 222 Cb 0.50 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1sx4 n LEU 222 CO 0.51 2.15 0.45 0.00 -1.33 0.00 0.00 177.39 179.17 1sx4 s ALA 223 N -2.92 3.33 -1.09 -1.18 0.00 -1.17 -2.06 121.76 116.65 1sx4 s ALA 223 Ca 0.43 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 1sx4 s ALA 223 Cb 0.19 -3.01 0.29 0.00 0.00 0.00 0.00 23.12 20.60 1sx4 s ALA 223 CO -0.05 -0.06 1.24 -3.47 0.00 0.00 0.00 175.76 173.42 1sx4 n ASP 224 N 3.49 5.81 -3.60 0.00 2.03 -0.74 -3.32 116.55 120.22 1sx4 n ASP 224 Ca -0.01 -3.19 0.03 0.00 0.52 0.00 0.00 54.79 52.14 1sx4 n ASP 224 Cb 0.51 -1.32 -0.00 0.00 -0.72 0.00 0.00 41.12 39.59 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 -1.87 0.20 -0.13 -0.67 -2.85 -1.26 -3.93 119.74 109.22 1sx4 s LYS 225 Ca 0.31 -0.11 -0.22 0.00 -1.00 0.00 0.00 55.97 54.94 1sx4 s LYS 225 Cb -0.04 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1sx4 s LYS 225 CO -0.01 -0.09 0.68 0.15 0.10 0.00 0.00 175.35 176.17 1sx4 s LYS 226 N -2.20 4.33 -0.37 1.78 1.02 -1.26 -1.33 119.74 121.70 1sx4 s LYS 226 Ca 0.15 0.77 -0.16 0.00 0.02 0.00 0.00 55.97 56.76 1sx4 s LYS 226 Cb 0.06 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1sx4 s LYS 226 CO -0.05 -0.10 0.37 0.42 -0.92 0.00 0.00 175.35 175.07 1sx4 s ILE 227 N 1.39 5.16 -0.15 2.17 1.01 0.11 -4.90 121.20 126.00 1sx4 s ILE 227 Ca 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 1sx4 s ILE 227 Cb -0.17 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 1sx4 s ILE 227 CO 0.14 -0.20 -0.17 -1.20 0.00 0.00 0.00 174.94 173.51 1sx4 n SER 228 N 5.40 1.68 -4.76 3.58 7.64 -1.26 -0.41 113.62 125.49 1sx4 n SER 228 Ca -0.09 0.09 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1sx4 n SER 228 Cb 0.49 -0.36 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 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 -6.00 5.84 0.06 6.43 0.01 -1.26 -1.52 114.94 118.50 1sx4 s ASN 229 Ca -0.20 0.28 0.22 0.00 -0.71 0.00 0.00 52.86 52.45 1sx4 s ASN 229 Cb 0.07 -1.84 0.91 0.00 0.41 0.00 0.00 41.25 40.80 1sx4 s ASN 229 CO 0.28 0.35 1.70 0.00 -1.51 0.00 0.00 177.10 177.92 1sx4 n ILE 230 N 2.34 0.57 -0.01 0.60 3.06 -1.26 -3.42 119.36 121.24 1sx4 n ILE 230 Ca -0.19 0.10 -0.09 0.00 -2.50 0.00 0.00 62.75 60.07 1sx4 n ILE 230 Cb 0.54 -0.79 -0.03 0.00 0.54 0.00 0.00 39.64 39.89 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 -0.07 -0.32 9.51 3.08 -2.01 -1.59 114.38 122.97 1sx4 h ARG 231 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1sx4 h ARG 231 Cb 0.41 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1sx4 h ARG 231 CO 0.00 -0.05 0.28 0.93 -1.07 0.00 0.00 179.97 180.06 1sx4 h GLU 232 N -0.07 0.00 0.12 0.04 5.08 -1.95 -3.07 114.58 114.73 1sx4 h GLU 232 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.20 1sx4 h GLU 232 Cb 0.19 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.47 1sx4 h GLU 232 CO -0.18 0.00 -1.03 0.52 -1.00 0.00 0.00 179.01 177.32 1sx4 h MET 233 N 0.00 0.48 -0.67 2.33 2.86 -1.47 -3.07 114.93 115.39 1sx4 h MET 233 Ca 0.15 -0.68 0.19 0.00 -2.06 0.00 0.00 59.70 57.30 1sx4 h MET 233 Cb 0.71 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1sx4 h MET 233 CO -0.00 1.30 0.58 -0.07 1.06 0.00 0.00 176.91 179.78 1sx4 h LEU 234 N 0.00 0.00 -0.54 1.22 3.38 -1.40 0.19 115.31 118.16 1sx4 h LEU 234 Ca -0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1sx4 h LEU 234 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1sx4 h LEU 234 CO 0.20 0.00 -0.28 1.55 0.09 0.00 0.00 178.44 180.00 1sx4 h PRO 235 N 0.00 0.88 0.05 1.13 0.13 -1.83 -3.07 132.00 129.30 1sx4 h PRO 235 Ca 0.32 -0.40 -0.20 0.00 -0.87 0.00 0.00 66.00 64.84 1sx4 h PRO 235 Cb 1.47 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.60 1sx4 h PRO 235 CO -0.00 1.05 -0.82 0.28 -0.23 0.00 0.00 178.00 178.27 1sx4 h VAL 236 N 0.75 1.39 0.00 1.56 2.07 -0.82 -2.95 116.25 118.25 1sx4 h VAL 236 Ca 0.09 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 1sx4 h VAL 236 Cb 0.84 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1sx4 h VAL 236 CO 0.07 0.66 -0.02 -0.07 0.02 0.00 0.00 177.57 178.24 1sx4 h LEU 237 N -0.01 0.00 0.15 2.57 3.38 -1.59 -1.56 115.31 118.25 1sx4 h LEU 237 Ca -0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.56 1sx4 h LEU 237 Cb 1.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.30 1sx4 h LEU 237 CO 0.16 0.02 -1.38 -0.33 0.09 0.00 0.00 178.44 177.00 1sx4 h GLU 238 N 0.00 0.32 -0.17 1.13 5.08 -1.54 -2.02 114.58 117.38 1sx4 h GLU 238 Ca -0.00 -0.55 -0.20 0.00 -1.00 0.00 0.00 59.36 57.61 1sx4 h GLU 238 Cb 0.27 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1sx4 h GLU 238 CO 0.00 1.24 -0.68 0.00 -1.00 0.00 0.00 179.01 178.57 1sx4 h ALA 239 N 0.46 0.47 -0.16 3.43 0.00 -1.30 -2.90 119.26 119.27 1sx4 h ALA 239 Ca -0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 1sx4 h ALA 239 Cb 2.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1sx4 h ALA 239 CO 0.21 0.70 -0.07 0.28 0.00 0.00 0.00 179.25 180.36 1sx4 h VAL 240 N 0.50 1.31 -0.29 0.00 2.07 -1.40 -2.58 116.25 115.86 1sx4 h VAL 240 Ca -0.02 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1sx4 h VAL 240 Cb 1.28 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1sx4 h VAL 240 CO 0.14 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.26 1sx4 h ALA 241 N 0.68 2.11 0.00 1.67 0.00 -1.41 -2.47 119.26 119.84 1sx4 h ALA 241 Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1sx4 h ALA 241 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1sx4 h ALA 241 CO 0.02 -0.18 -0.95 0.87 0.00 0.00 0.00 179.25 179.02 1sx4 h LYS 242 N 0.13 0.00 -0.01 0.00 1.57 -1.37 -2.78 116.57 114.11 1sx4 h LYS 242 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1sx4 h LYS 242 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sx4 h LYS 242 CO -0.02 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 1sx4 n ALA 243 N -2.35 2.64 -4.08 3.86 0.00 -0.96 -4.91 120.51 114.71 1sx4 n ALA 243 Ca -0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1sx4 n ALA 243 Cb 0.90 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 0.93 -0.33 3.19 0.00 0.00 -1.05 -4.97 105.19 102.97 1sx4 n GLY 244 Ca 0.19 0.15 -0.17 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 -6.76 0.89 0.96 1.61 1.02 -1.20 -5.08 119.74 111.19 1sx4 s LYS 245 Ca 0.35 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.09 1sx4 s LYS 245 Cb -0.19 -0.74 0.17 0.00 -0.52 0.00 0.00 37.83 36.55 1sx4 s LYS 245 CO 0.91 0.14 1.17 -1.25 -0.92 0.00 0.00 175.35 175.40 1sx4 s PRO 246 N -2.39 0.71 -0.05 -1.68 0.04 -1.26 -4.59 135.00 125.78 1sx4 s PRO 246 Ca 0.04 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.16 1sx4 s PRO 246 Cb -0.06 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1sx4 s PRO 246 CO 0.02 -2.45 0.11 -1.17 0.04 0.00 0.00 177.00 173.55 1sx4 s LEU 247 N -6.14 1.14 -0.20 -3.56 2.96 -1.15 -2.19 118.68 109.54 1sx4 s LEU 247 Ca 0.67 0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1sx4 s LEU 247 Cb -0.12 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 1sx4 s LEU 247 CO 0.54 -0.10 0.03 -0.22 -1.32 0.00 0.00 176.35 175.28 1sx4 s LEU 248 N 0.69 3.48 -0.23 -0.68 2.96 0.07 -2.00 118.68 122.98 1sx4 s LEU 248 Ca -0.05 -0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 1sx4 s LEU 248 Cb -0.07 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1sx4 s LEU 248 CO -0.03 0.08 0.29 -0.63 -1.32 0.00 0.00 176.35 174.74 1sx4 s ILE 249 N 0.89 5.27 -0.55 6.68 -1.09 -0.45 0.27 121.20 132.23 1sx4 s ILE 249 Ca 0.02 0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.93 1sx4 s ILE 249 Cb -0.14 -3.62 0.14 0.00 -1.58 0.00 0.00 42.46 37.26 1sx4 s ILE 249 CO 0.02 0.28 0.31 -0.63 -1.23 0.00 0.00 174.94 173.70 1sx4 s ILE 250 N 1.30 2.40 0.50 2.92 1.01 0.07 -1.17 121.20 128.24 1sx4 s ILE 250 Ca 0.13 -3.40 0.03 0.00 0.00 0.00 0.00 60.65 57.41 1sx4 s ILE 250 Cb -0.14 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 1sx4 s ILE 250 CO 0.07 -0.87 0.11 0.00 0.00 0.00 0.00 174.94 174.24 1sx4 s ALA 251 N -0.45 4.09 0.24 9.38 0.00 -1.20 -3.07 121.76 130.75 1sx4 s ALA 251 Ca 0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1sx4 s ALA 251 Cb -0.20 -0.17 0.45 0.00 0.00 0.00 0.00 23.12 23.20 1sx4 s ALA 251 CO -0.04 -0.14 1.71 1.49 0.00 0.00 0.00 175.76 178.78 1sx4 h GLU 252 N 1.25 0.34 -2.21 0.00 4.81 -1.20 -0.70 114.58 116.87 1sx4 h GLU 252 Ca -0.42 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1sx4 h GLU 252 Cb 1.30 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1sx4 h GLU 252 CO 0.70 0.22 0.53 0.34 -0.73 0.00 0.00 179.01 180.08 1sx4 s ASP 253 N -5.29 -0.17 -0.07 1.04 -1.08 -1.23 -4.02 116.67 105.86 1sx4 s ASP 253 Ca -0.13 -0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1sx4 s ASP 253 Cb 0.21 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 42.13 1sx4 s ASP 253 CO 0.76 -0.80 -0.02 -0.69 0.52 0.00 0.00 175.17 174.93 1sx4 s VAL 254 N -3.15 0.50 0.13 1.11 1.01 -1.26 -0.71 120.40 118.03 1sx4 s VAL 254 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1sx4 s VAL 254 Cb -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1sx4 s VAL 254 CO 0.01 0.26 -0.12 -1.61 0.00 0.00 0.00 175.10 173.64 1sx4 s GLU 255 N 1.61 2.00 0.00 2.72 2.02 0.45 -4.68 118.70 122.82 1sx4 s GLU 255 Ca -0.00 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1sx4 s GLU 255 Cb -0.13 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1sx4 s GLU 255 CO -0.04 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1sx4 n GLY 256 N 0.51 0.00 0.00 -1.39 0.00 -1.26 -2.12 105.19 100.94 1sx4 n GLY 256 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 1.61 0.00 -1.26 0.01 120.64 121.21 1sx4 n GLU 257 Ca 0.00 0.54 0.12 0.00 0.00 0.00 0.00 57.16 57.82 1sx4 n GLU 257 Cb 0.00 -0.95 0.72 0.00 0.00 0.00 0.00 31.44 31.21 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 -1.40 1.98 0.51 4.31 0.00 -0.73 -0.75 119.26 123.20 1sx4 h ALA 258 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 258 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sx4 h ALA 258 CO 0.00 -0.15 -0.25 1.25 0.00 0.00 0.00 179.25 180.10 1sx4 h LEU 259 N 0.00 -0.59 -2.38 0.00 5.85 -0.78 -1.30 115.31 116.11 1sx4 h LEU 259 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sx4 h LEU 259 Cb 0.23 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sx4 h LEU 259 CO -0.00 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 177.93 1sx4 h ALA 260 N -1.11 1.00 0.14 1.25 0.00 -0.03 -1.06 119.26 119.46 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 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sx4 h ALA 260 CO 0.12 0.00 -0.07 1.15 0.00 0.00 0.00 179.25 180.45 1sx4 h THR 261 N 0.00 0.51 -0.22 0.00 2.02 -1.05 -2.79 112.91 111.37 1sx4 h THR 261 Ca 0.00 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.10 1sx4 h THR 261 Cb 0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1sx4 h THR 261 CO 0.00 0.15 0.16 -0.07 0.37 0.00 0.00 175.52 176.13 1sx4 h LEU 262 N -0.99 0.07 0.58 2.58 3.38 -0.78 -0.23 115.31 119.92 1sx4 h LEU 262 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1sx4 h LEU 262 Cb 0.39 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1sx4 h LEU 262 CO 0.03 0.05 -0.28 0.58 0.09 0.00 0.00 178.44 178.91 1sx4 h VAL 263 N 0.08 0.42 0.00 1.22 2.07 -1.29 -2.38 116.25 116.36 1sx4 h VAL 263 Ca 0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1sx4 h VAL 263 Cb 0.31 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1sx4 h VAL 263 CO -0.01 0.01 0.00 0.52 0.02 0.00 0.00 177.57 178.11 1sx4 n VAL 264 N -5.40 0.72 0.14 2.57 0.31 -1.03 -1.82 118.33 113.82 1sx4 n VAL 264 Ca -0.13 0.15 0.05 0.00 -0.01 0.00 0.00 64.34 64.41 1sx4 n VAL 264 Cb 0.33 -0.89 0.04 0.00 -0.91 0.00 0.00 33.84 32.41 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 -0.80 -3.27 115.58 115.77 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 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1sx4 h ASN 265 CO 0.00 0.36 -0.89 0.35 -1.06 0.00 0.00 177.43 176.19 1sx4 n THR 266 N -3.11 0.00 0.17 2.81 -2.24 -0.92 -1.73 114.28 109.25 1sx4 n THR 266 Ca 0.01 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1sx4 n THR 266 Cb 0.69 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.39 -0.03 -0.78 -1.53 -1.44 -3.00 114.93 107.77 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 0.44 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1sx4 h MET 267 CO 0.00 -0.15 0.00 0.54 0.14 0.00 0.00 176.91 177.44 1sx4 n ARG 268 N -5.19 1.44 -3.31 0.39 1.74 -1.23 -4.97 116.66 105.52 1sx4 n ARG 268 Ca -0.10 -0.64 -0.17 0.00 -0.77 0.00 0.00 57.85 56.17 1sx4 n ARG 268 Cb 0.22 -1.46 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 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 1.09 -0.27 0.08 -0.13 0.00 -1.13 -4.98 105.19 99.85 1sx4 n GLY 269 Ca 0.20 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.92 1.61 -3.29 -0.61 2.04 -1.64 -3.44 117.51 110.26 1sx4 h ILE 270 Ca -0.49 -2.31 -0.45 0.00 1.00 0.00 0.00 64.86 62.62 1sx4 h ILE 270 Cb 1.30 3.14 -0.37 0.00 -0.74 0.00 0.00 36.82 40.15 1sx4 h ILE 270 CO 0.44 0.55 -0.77 -0.69 0.00 0.00 0.00 178.15 177.68 1sx4 s VAL 271 N -2.24 0.52 0.02 1.67 1.01 -1.15 -5.03 120.40 115.19 1sx4 s VAL 271 Ca -0.21 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1sx4 s VAL 271 Cb -0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1sx4 s VAL 271 CO 0.67 0.27 1.40 -0.54 0.00 0.00 0.00 175.10 176.90 1sx4 s LYS 272 N 1.69 4.29 0.03 2.72 3.01 -1.26 -3.97 119.74 126.25 1sx4 s LYS 272 Ca 0.01 1.98 -0.10 0.00 -1.01 0.00 0.00 55.97 56.86 1sx4 s LYS 272 Cb -0.13 -3.53 0.00 0.00 -1.01 0.00 0.00 37.83 33.17 1sx4 s LYS 272 CO -0.04 -0.55 0.20 0.08 0.51 0.00 0.00 175.35 175.54 1sx4 s VAL 273 N 2.22 0.10 -0.08 3.17 1.01 -1.26 -2.94 120.40 122.62 1sx4 s VAL 273 Ca 0.64 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1sx4 s VAL 273 Cb -0.32 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1sx4 s VAL 273 CO 0.27 -0.47 0.41 0.00 0.00 0.00 0.00 175.10 175.31 1sx4 s ALA 274 N -2.42 -1.02 0.02 5.51 0.00 -0.85 -4.90 121.76 118.10 1sx4 s ALA 274 Ca -0.06 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1sx4 s ALA 274 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1sx4 s ALA 274 CO -0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 175.76 175.36 1sx4 s ALA 275 N -0.61 0.99 0.01 0.00 0.00 -1.26 -1.33 121.76 119.55 1sx4 s ALA 275 Ca -0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1sx4 s ALA 275 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1sx4 s ALA 275 CO 0.03 0.20 0.02 0.14 0.00 0.00 0.00 175.76 176.15 1sx4 s VAL 276 N -0.62 0.07 0.82 0.00 -7.23 -0.32 -2.53 120.40 110.59 1sx4 s VAL 276 Ca 0.02 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.49 1sx4 s VAL 276 Cb -0.06 -0.22 0.07 0.00 0.56 0.00 0.00 36.38 36.72 1sx4 s VAL 276 CO 0.00 -0.31 1.05 0.29 -0.31 0.00 0.00 175.10 175.82 1sx4 n LYS 277 N 2.07 0.13 -2.37 4.82 5.02 -1.26 -3.28 118.16 123.29 1sx4 n LYS 277 Ca -0.20 0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1sx4 n LYS 277 Cb 0.57 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 1sx4 n LYS 277 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sx4 s ALA 278 N -2.14 3.10 0.48 7.82 0.00 -0.27 -4.78 121.76 125.97 1sx4 s ALA 278 Ca 0.71 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 1sx4 s ALA 278 Cb -0.29 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1sx4 s ALA 278 CO 0.53 -0.27 1.17 -1.25 0.00 0.00 0.00 175.76 175.94 1sx4 s PRO 279 N -4.19 3.66 0.32 0.00 0.04 -1.26 -4.87 135.00 128.70 1sx4 s PRO 279 Ca 0.58 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1sx4 s PRO 279 Cb -0.10 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1sx4 s PRO 279 CO 0.34 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1sx4 n GLY 280 N 0.43 -1.88 3.05 0.56 0.00 -1.26 -4.63 105.19 101.46 1sx4 n GLY 280 Ca 0.08 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.17 0.56 0.00 1.61 -0.71 -1.26 -4.73 117.98 111.28 1sx4 s PHE 281 Ca 0.00 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1sx4 s PHE 281 Cb 0.00 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.46 1sx4 s PHE 281 CO 0.00 -0.13 0.00 0.41 -1.34 0.00 0.00 175.22 174.16 1sx4 n GLY 282 N 1.36 2.46 0.07 1.99 0.00 -1.26 -3.59 105.19 106.21 1sx4 n GLY 282 Ca -0.22 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.04 0.02 1.61 3.32 -2.02 -3.14 116.42 116.17 1sx4 h ASP 283 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1sx4 h ASP 283 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1sx4 h ASP 283 CO 0.00 0.30 0.00 -2.11 -1.72 0.00 0.00 179.24 175.71 1sx4 n ARG 284 N -4.95 0.73 -0.03 3.56 1.85 -1.24 -3.11 116.66 113.47 1sx4 n ARG 284 Ca -0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.63 1sx4 n ARG 284 Cb 0.19 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.00 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 0.15 -0.41 2.89 2.43 -1.62 -2.89 114.38 114.93 1sx4 h ARG 285 Ca 0.00 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1sx4 h ARG 285 Cb 0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1sx4 h ARG 285 CO 0.00 0.75 -0.18 0.87 -1.51 0.00 0.00 179.97 179.90 1sx4 h LYS 286 N -0.42 0.78 -0.26 0.20 1.57 -1.68 0.12 116.57 116.88 1sx4 h LYS 286 Ca -0.01 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1sx4 h LYS 286 Cb 0.76 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1sx4 h LYS 286 CO 0.03 0.90 0.16 0.00 -0.57 0.00 0.00 179.45 179.97 1sx4 h ALA 287 N 1.11 0.32 -0.27 3.86 0.00 -1.70 -2.14 119.26 120.45 1sx4 h ALA 287 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 287 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1sx4 h ALA 287 CO 0.05 -0.22 -0.28 0.52 0.00 0.00 0.00 179.25 179.32 1sx4 h MET 288 N 0.33 0.55 -0.38 0.00 2.86 -1.08 -1.97 114.93 115.24 1sx4 h MET 288 Ca 0.10 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 1sx4 h MET 288 Cb -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1sx4 h MET 288 CO -0.03 0.78 -0.10 1.25 1.06 0.00 0.00 176.91 179.87 1sx4 h LEU 289 N 0.48 0.75 -1.58 1.22 6.46 -0.83 -2.83 115.31 118.98 1sx4 h LEU 289 Ca 0.06 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.53 1sx4 h LEU 289 Cb 0.74 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1sx4 h LEU 289 CO 0.06 0.94 0.39 -0.61 -0.62 0.00 0.00 178.44 178.59 1sx4 h GLN 290 N 0.55 0.49 -0.44 1.25 5.75 -0.96 -1.58 115.11 120.17 1sx4 h GLN 290 Ca 0.10 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1sx4 h GLN 290 Cb 0.61 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1sx4 h GLN 290 CO 0.04 0.33 -0.03 -0.44 -2.65 0.00 0.00 178.83 176.08 1sx4 h ASP 291 N 0.51 0.71 0.46 -0.69 5.19 -1.12 -1.68 116.42 119.80 1sx4 h ASP 291 Ca 0.26 -0.17 -0.20 0.00 -0.62 0.00 0.00 57.03 56.29 1sx4 h ASP 291 Cb 0.35 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1sx4 h ASP 291 CO -0.07 0.79 -0.85 0.40 -3.12 0.00 0.00 179.24 176.39 1sx4 h ILE 292 N 0.69 1.45 0.11 0.35 2.04 -1.26 -1.97 117.51 118.92 1sx4 h ILE 292 Ca 0.13 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1sx4 h ILE 292 Cb 0.46 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1sx4 h ILE 292 CO 0.02 0.72 -0.28 0.00 0.00 0.00 0.00 178.15 178.61 1sx4 h ALA 293 N 0.93 -0.83 -1.00 1.87 0.00 -1.00 -1.25 119.26 117.96 1sx4 h ALA 293 Ca -0.05 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 293 Cb 1.46 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.77 1sx4 h ALA 293 CO 0.14 -0.89 0.59 1.15 0.00 0.00 0.00 179.25 180.23 1sx4 h THR 294 N -0.44 0.44 -0.55 0.00 2.02 -1.22 0.58 112.91 113.74 1sx4 h THR 294 Ca -0.01 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1sx4 h THR 294 Cb 0.42 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1sx4 h THR 294 CO -0.13 0.09 0.09 0.25 0.37 0.00 0.00 175.52 176.19 1sx4 h LEU 295 N 0.48 0.88 -2.46 2.58 7.12 -1.02 -3.16 115.31 119.72 1sx4 h LEU 295 Ca 0.68 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.43 1sx4 h LEU 295 Cb 1.41 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1sx4 h LEU 295 CO -0.53 0.91 0.00 0.35 -0.13 0.00 0.00 178.44 179.05 1sx4 n THR 296 N -4.35 0.69 -3.60 1.05 -2.24 -0.36 -2.38 114.28 103.08 1sx4 n THR 296 Ca 0.02 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.70 1sx4 n THR 296 Cb 0.26 0.77 0.05 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.08 -0.52 3.96 3.38 0.00 0.19 -1.74 105.19 111.54 1sx4 n GLY 297 Ca 0.16 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.17 1.81 -0.17 -0.02 0.00 -0.42 -4.64 107.32 100.70 1sx4 s GLY 298 Ca 0.56 -1.61 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 1sx4 s GLY 298 CO 0.69 -1.48 0.01 -1.59 0.00 0.00 0.00 173.10 170.74 1sx4 s THR 299 N -2.29 4.33 -0.03 0.90 2.01 0.16 -4.47 115.64 116.26 1sx4 s THR 299 Ca 0.48 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 1sx4 s THR 299 Cb -0.08 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1sx4 s THR 299 CO 0.31 0.47 0.87 -0.69 -0.69 0.00 0.00 174.62 174.89 1sx4 s VAL 300 N 0.41 4.94 -0.97 3.82 1.01 -1.26 -4.50 120.40 123.85 1sx4 s VAL 300 Ca -0.00 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1sx4 s VAL 300 Cb -0.13 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.25 1sx4 s VAL 300 CO 0.02 0.19 1.01 -0.63 0.00 0.00 0.00 175.10 175.69 1sx4 s ILE 301 N 0.95 5.46 -0.30 2.22 1.01 -0.88 -4.95 121.20 124.71 1sx4 s ILE 301 Ca 0.46 -2.54 -0.16 0.00 0.00 0.00 0.00 60.65 58.40 1sx4 s ILE 301 Cb -0.20 -4.62 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 1sx4 s ILE 301 CO 0.24 -1.24 0.43 -0.94 0.00 0.00 0.00 174.94 173.43 1sx4 s SER 302 N 2.34 6.29 0.66 3.58 1.04 -1.26 -1.79 113.70 124.55 1sx4 s SER 302 Ca 0.27 0.17 0.30 0.00 0.48 0.00 0.00 55.95 57.17 1sx4 s SER 302 Cb -0.08 -2.24 1.62 0.00 0.10 0.00 0.00 66.02 65.43 1sx4 s SER 302 CO -0.08 -0.30 1.93 -0.33 0.98 0.00 0.00 173.24 175.44 1sx4 h GLU 303 N 8.26 0.00 0.00 4.02 5.08 -1.74 -2.09 114.58 128.12 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 -3.01 0.94 0.00 2.33 1.02 -1.26 -2.51 120.64 118.14 1sx4 n GLU 304 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1sx4 n GLU 304 Cb 0.41 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.53 0.00 -0.28 -3.67 5.41 -0.78 -5.05 119.36 114.46 1sx4 n ILE 305 Ca 0.01 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1sx4 n ILE 305 Cb 0.01 1.13 0.00 0.00 -0.71 0.00 0.00 39.64 40.07 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 0.40 1.49 3.20 7.39 0.00 -1.05 -5.10 105.19 111.53 1sx4 n GLY 306 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.09 3.14 0.61 1.61 -1.94 -1.25 -5.06 119.30 115.32 1sx4 s MET 307 Ca 0.00 -0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1sx4 s MET 307 Cb 0.00 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 34.16 1sx4 s MET 307 CO 0.00 -0.18 0.89 -1.21 -0.01 0.00 0.00 175.02 174.51 1sx4 s GLU 308 N 1.30 2.56 0.10 2.03 2.02 -1.26 -4.23 118.70 121.21 1sx4 s GLU 308 Ca 0.04 -0.34 0.28 0.00 0.02 0.00 0.00 54.97 54.97 1sx4 s GLU 308 Cb -0.14 -2.31 1.01 0.00 0.10 0.00 0.00 34.13 32.79 1sx4 s GLU 308 CO -0.08 -0.88 1.83 1.28 0.02 0.00 0.00 175.26 177.43 1sx4 n LEU 309 N -2.61 0.39 0.22 1.80 4.77 -1.26 -2.82 117.00 117.49 1sx4 n LEU 309 Ca 0.06 0.51 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 1sx4 n LEU 309 Cb 0.59 -0.41 0.51 0.00 -2.33 0.00 0.00 43.42 41.79 1sx4 n LEU 309 CO 0.50 -0.08 0.84 -0.33 -1.33 0.00 0.00 177.39 177.00 1sx4 h GLU 310 N 0.00 0.00 -2.93 3.23 3.07 -1.88 -3.24 114.58 112.82 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 0.61 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.19 1sx4 h GLU 310 CO 0.00 0.24 0.20 1.63 -1.40 0.00 0.00 179.01 179.68 1sx4 n LYS 311 N -3.93 3.43 -3.53 2.33 5.02 -1.13 -4.89 118.16 115.47 1sx4 n LYS 311 Ca -0.02 -4.55 -0.09 0.00 -2.02 0.00 0.00 58.31 51.63 1sx4 n LYS 311 Cb 0.33 -2.43 -0.09 0.00 -0.02 0.00 0.00 35.03 32.81 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 -2.17 -1.06 0.48 7.82 0.00 -1.22 -4.69 121.76 120.92 1sx4 s ALA 312 Ca 0.32 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.56 1sx4 s ALA 312 Cb 0.02 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1sx4 s ALA 312 CO -0.01 -0.96 0.60 0.95 0.00 0.00 0.00 175.76 176.35 1sx4 s THR 313 N 2.56 2.53 0.28 0.00 -4.23 -1.26 -4.30 115.64 111.22 1sx4 s THR 313 Ca 0.05 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1sx4 s THR 313 Cb -0.13 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.36 1sx4 s THR 313 CO -0.14 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 175.56 1sx4 h LEU 314 N 0.55 0.19 -0.76 4.79 3.38 -1.95 0.88 115.31 122.39 1sx4 h LEU 314 Ca -0.36 0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.90 1sx4 h LEU 314 Cb 1.28 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1sx4 h LEU 314 CO 0.46 -0.04 0.98 -0.08 0.09 0.00 0.00 178.44 179.85 1sx4 h GLU 315 N 0.33 0.00 0.06 1.13 4.81 -2.00 0.37 114.58 119.28 1sx4 h GLU 315 Ca 0.53 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.45 1sx4 h GLU 315 Cb 0.99 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1sx4 h GLU 315 CO -0.55 0.00 -1.70 -0.44 -0.73 0.00 0.00 179.01 175.59 1sx4 h ASP 316 N 0.00 0.19 -3.79 1.04 3.32 -1.19 -3.43 116.42 112.56 1sx4 h ASP 316 Ca 0.21 -0.36 -0.52 0.00 0.02 0.00 0.00 57.03 56.38 1sx4 h ASP 316 Cb 2.17 -0.06 0.06 0.00 0.22 0.00 0.00 39.33 41.72 1sx4 h ASP 316 CO -0.00 1.32 0.64 -0.76 -1.72 0.00 0.00 179.24 178.71 1sx4 s LEU 317 N -6.57 4.43 1.11 1.55 1.02 0.13 0.36 118.68 120.71 1sx4 s LEU 317 Ca -0.10 2.64 -0.18 0.00 0.02 0.00 0.00 54.13 56.51 1sx4 s LEU 317 Cb 0.07 -3.64 0.25 0.00 0.02 0.00 0.00 46.19 42.89 1sx4 s LEU 317 CO 0.82 -0.52 1.17 -0.83 0.02 0.00 0.00 176.35 177.01 1sx4 s GLY 318 N -0.36 1.64 -0.21 -3.19 0.00 0.27 -4.57 107.32 100.90 1sx4 s GLY 318 Ca 0.50 -0.98 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 1sx4 s GLY 318 CO 0.50 -0.16 0.51 1.62 0.00 0.00 0.00 173.10 175.58 1sx4 s GLN 319 N -5.53 0.52 0.07 2.90 0.74 -0.71 0.72 119.66 118.37 1sx4 s GLN 319 Ca 0.71 0.91 0.01 0.00 0.05 0.00 0.00 55.36 57.04 1sx4 s GLN 319 Cb -0.09 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 1sx4 s GLN 319 CO 0.55 -0.14 -0.05 0.00 -0.55 0.00 0.00 175.29 175.10 1sx4 s ALA 320 N 1.29 0.70 -0.54 1.58 0.00 -1.14 -1.74 121.76 121.90 1sx4 s ALA 320 Ca -0.08 -1.17 0.26 0.00 0.00 0.00 0.00 51.96 50.97 1sx4 s ALA 320 Cb -0.07 0.18 0.84 0.00 0.00 0.00 0.00 23.12 24.07 1sx4 s ALA 320 CO -0.13 -0.25 1.75 0.87 0.00 0.00 0.00 175.76 178.01 1sx4 h LYS 321 N 3.35 0.00 -2.10 0.00 1.57 -0.17 -3.14 116.57 116.07 1sx4 h LYS 321 Ca -0.35 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1sx4 h LYS 321 Cb 1.16 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 1sx4 h LYS 321 CO 0.60 0.00 0.34 0.50 -0.57 0.00 0.00 179.45 180.32 1sx4 s ARG 322 N -3.23 0.94 -0.08 3.15 3.52 -0.83 -2.34 118.95 120.08 1sx4 s ARG 322 Ca 0.07 0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.58 1sx4 s ARG 322 Cb 0.10 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.95 1sx4 s ARG 322 CO 0.55 -0.34 0.27 0.14 -0.81 0.00 0.00 175.30 175.11 1sx4 s VAL 323 N -1.93 0.02 -0.09 7.11 -7.23 -1.07 0.09 120.40 117.30 1sx4 s VAL 323 Ca -0.04 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 59.96 1sx4 s VAL 323 Cb -0.00 -0.44 0.03 0.00 0.56 0.00 0.00 36.38 36.52 1sx4 s VAL 323 CO 0.01 -0.09 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.99 1sx4 s VAL 324 N -0.29 0.62 0.11 1.32 1.01 -0.54 -1.94 120.40 120.69 1sx4 s VAL 324 Ca -0.04 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 61.99 1sx4 s VAL 324 Cb -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1sx4 s VAL 324 CO 0.01 0.29 -0.23 0.27 0.00 0.00 0.00 175.10 175.44 1sx4 s ILE 325 N 1.87 2.49 0.49 2.22 -0.00 0.11 -2.00 121.20 126.38 1sx4 s ILE 325 Ca 0.05 -1.58 0.03 0.00 -0.00 0.00 0.00 60.65 59.14 1sx4 s ILE 325 Cb -0.12 -2.10 0.03 0.00 -0.00 0.00 0.00 42.46 40.26 1sx4 s ILE 325 CO -0.06 0.15 0.23 0.59 -0.00 0.00 0.00 174.94 175.84 1sx4 n ASN 326 N 1.03 2.90 -0.27 4.36 3.02 0.03 -1.28 115.26 125.04 1sx4 n ASN 326 Ca -0.17 -2.88 0.13 0.00 -0.03 0.00 0.00 54.58 51.63 1sx4 n ASN 326 Cb 0.53 0.11 0.24 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.48 -0.06 -0.30 3.52 4.81 -1.26 -1.82 118.16 121.56 1sx4 n LYS 327 Ca -0.09 1.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 1sx4 n LYS 327 Cb 0.59 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 -5.09 0.00 -3.94 3.14 5.68 -1.26 -4.07 116.55 111.01 1sx4 n ASP 328 Ca 0.19 -1.37 -0.19 0.00 -0.50 0.00 0.00 54.79 52.92 1sx4 n ASP 328 Cb 0.63 -0.07 -0.16 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.56 -0.13 2.12 2.01 -1.20 -3.15 115.64 115.84 1sx4 s THR 329 Ca 0.00 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1sx4 s THR 329 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1sx4 s THR 329 CO 0.00 0.20 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.11 1sx4 s THR 330 N 0.43 3.10 -0.09 -0.82 2.01 -0.49 -0.79 115.64 118.99 1sx4 s THR 330 Ca -0.06 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1sx4 s THR 330 Cb -0.09 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.13 1sx4 s THR 330 CO 0.00 0.52 -0.04 0.28 -0.69 0.00 0.00 174.62 174.69 1sx4 s THR 331 N 0.37 0.72 -0.25 -0.82 -1.32 -0.85 -0.00 115.64 113.49 1sx4 s THR 331 Ca -0.10 -0.11 -0.09 0.00 -1.21 0.00 0.00 61.69 60.18 1sx4 s THR 331 Cb -0.16 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1sx4 s THR 331 CO 0.05 0.31 0.11 -0.63 -2.21 0.00 0.00 174.62 172.26 1sx4 s ILE 332 N 1.71 4.74 -0.22 5.08 1.01 -0.06 -1.46 121.20 131.99 1sx4 s ILE 332 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1sx4 s ILE 332 Cb -0.13 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1sx4 s ILE 332 CO -0.06 0.33 -0.05 -0.63 0.00 0.00 0.00 174.94 174.53 1sx4 s ILE 333 N 1.47 3.25 -0.29 2.92 1.01 0.11 -2.35 121.20 127.33 1sx4 s ILE 333 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1sx4 s ILE 333 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1sx4 s ILE 333 CO 0.06 0.40 0.13 -0.67 0.00 0.00 0.00 174.94 174.86 1sx4 n ASP 334 N 4.78 -7.07 -4.73 3.58 -0.08 -0.66 -1.94 116.55 110.44 1sx4 n ASP 334 Ca -0.18 1.01 -0.38 0.00 -1.51 0.00 0.00 54.79 53.73 1sx4 n ASP 334 Cb 0.50 -4.67 -0.06 0.00 2.34 0.00 0.00 41.12 39.23 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sx4 s GLY 335 N -1.63 2.46 0.57 0.27 0.00 -0.81 -0.62 107.32 107.56 1sx4 s GLY 335 Ca 0.06 -0.11 0.34 0.00 0.00 0.00 0.00 44.72 45.00 1sx4 s GLY 335 CO 0.66 0.83 2.14 -2.08 0.00 0.00 0.00 173.10 174.64 1sx4 h VAL 336 N 4.65 0.28 -1.75 1.40 2.07 -1.47 -3.45 116.25 117.98 1sx4 h VAL 336 Ca -0.42 -0.37 -0.67 0.00 0.82 0.00 0.00 66.70 66.06 1sx4 h VAL 336 Cb 1.18 1.28 0.07 0.00 -1.52 0.00 0.00 31.29 32.30 1sx4 h VAL 336 CO 0.75 0.05 0.34 0.61 0.02 0.00 0.00 177.57 179.34 1sx4 n GLY 337 N -0.64 0.23 3.86 2.17 0.00 -1.00 -4.83 105.19 104.98 1sx4 n GLY 337 Ca -0.02 0.63 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 0.07 3.83 0.41 1.61 2.02 -1.26 -4.79 118.70 120.58 1sx4 s GLU 338 Ca 0.80 0.77 0.21 0.00 0.02 0.00 0.00 54.97 56.77 1sx4 s GLU 338 Cb -0.92 -2.19 0.79 0.00 0.10 0.00 0.00 34.13 31.90 1sx4 s GLU 338 CO 0.50 -0.27 1.77 0.93 0.02 0.00 0.00 175.26 178.21 1sx4 h GLU 339 N 0.72 0.00 -0.74 1.61 5.08 -1.96 0.06 114.58 119.36 1sx4 h GLU 339 Ca -0.46 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1sx4 h GLU 339 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1sx4 h GLU 339 CO 0.62 0.30 0.27 0.00 -1.00 0.00 0.00 179.01 179.20 1sx4 h ALA 340 N 1.70 1.02 0.01 3.43 0.00 -2.00 -2.37 119.26 121.05 1sx4 h ALA 340 Ca -0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sx4 h ALA 340 Cb 0.83 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sx4 h ALA 340 CO 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1sx4 h ALA 341 N 1.55 -0.02 -0.96 0.00 0.00 -1.43 -3.15 119.26 115.24 1sx4 h ALA 341 Ca 0.40 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sx4 h ALA 341 Cb 0.62 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1sx4 h ALA 341 CO -0.41 -0.05 0.63 0.82 0.00 0.00 0.00 179.25 180.25 1sx4 h ILE 342 N -0.95 1.23 -0.17 0.00 2.04 -1.15 0.20 117.51 118.71 1sx4 h ILE 342 Ca -0.00 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 1sx4 h ILE 342 Cb 0.77 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1sx4 h ILE 342 CO 0.00 0.23 -0.27 -0.61 0.00 0.00 0.00 178.15 177.50 1sx4 h GLN 343 N 1.28 0.49 -0.89 2.37 5.75 -1.61 -2.81 115.11 119.69 1sx4 h GLN 343 Ca 0.36 -0.30 0.14 0.00 -0.15 0.00 0.00 58.65 58.70 1sx4 h GLN 343 Cb -0.11 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.38 1sx4 h GLN 343 CO -0.09 0.89 0.49 0.78 -2.65 0.00 0.00 178.83 178.26 1sx4 h GLY 344 N 0.13 1.45 1.08 2.39 0.00 -1.30 -0.39 103.07 106.43 1sx4 h GLY 344 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1sx4 h GLY 344 CO 0.06 0.02 -0.03 -0.09 0.00 0.00 0.00 176.54 176.51 1sx4 h ARG 345 N 0.73 1.05 -0.86 4.80 9.65 -0.97 -1.65 114.38 127.12 1sx4 h ARG 345 Ca 0.47 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1sx4 h ARG 345 Cb 0.60 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 1sx4 h ARG 345 CO -0.33 1.04 0.49 0.28 2.80 0.00 0.00 179.97 184.26 1sx4 h VAL 346 N 0.94 1.25 -0.28 0.20 2.07 -0.99 -0.17 116.25 119.26 1sx4 h VAL 346 Ca 0.16 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1sx4 h VAL 346 Cb 0.59 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1sx4 h VAL 346 CO 0.04 0.27 -0.07 0.00 0.02 0.00 0.00 177.57 177.83 1sx4 h ALA 347 N 1.34 1.36 0.53 1.67 0.00 -0.77 0.33 119.26 123.71 1sx4 h ALA 347 Ca 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sx4 h ALA 347 Cb -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sx4 h ALA 347 CO -0.05 0.44 -0.25 1.96 0.00 0.00 0.00 179.25 181.34 1sx4 h GLN 348 N 0.43 -0.68 -0.88 0.00 4.20 -0.58 -3.11 115.11 114.48 1sx4 h GLN 348 Ca 0.09 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1sx4 h GLN 348 Cb 0.39 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1sx4 h GLN 348 CO 0.02 -0.38 0.59 0.82 -0.67 0.00 0.00 178.83 179.20 1sx4 h ILE 349 N -1.03 1.22 -0.41 2.54 2.04 -0.94 -2.43 117.51 118.49 1sx4 h ILE 349 Ca -0.07 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.44 1sx4 h ILE 349 Cb 0.62 -0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 1sx4 h ILE 349 CO 0.12 0.22 -0.48 -0.09 0.00 0.00 0.00 178.15 177.91 1sx4 h ARG 350 N 1.19 -0.34 -0.76 2.37 9.65 -0.42 -1.65 114.38 124.42 1sx4 h ARG 350 Ca 0.33 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.31 1sx4 h ARG 350 Cb -0.13 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 1sx4 h ARG 350 CO -0.07 -0.23 0.50 1.96 2.80 0.00 0.00 179.97 184.93 1sx4 h GLN 351 N -0.36 0.73 -0.05 0.20 4.20 -1.37 -1.55 115.11 116.92 1sx4 h GLN 351 Ca 0.11 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1sx4 h GLN 351 Cb 0.59 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1sx4 h GLN 351 CO -0.59 0.48 0.04 1.96 -0.67 0.00 0.00 178.83 180.05 1sx4 h GLN 352 N 0.75 0.00 0.00 1.46 4.20 -0.99 0.20 115.11 120.72 1sx4 h GLN 352 Ca 0.34 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 1sx4 h GLN 352 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1sx4 h GLN 352 CO -0.12 0.00 -0.31 0.82 -0.67 0.00 0.00 178.83 178.55 1sx4 h ILE 353 N 0.00 1.05 -0.22 2.54 2.04 -1.07 -2.99 117.51 118.86 1sx4 h ILE 353 Ca 0.02 -1.12 -0.12 0.00 1.00 0.00 0.00 64.86 64.64 1sx4 h ILE 353 Cb 0.10 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1sx4 h ILE 353 CO -0.00 0.30 -0.32 -0.33 0.00 0.00 0.00 178.15 177.80 1sx4 h GLU 354 N 0.00 0.61 -1.34 2.37 4.39 -1.03 -3.04 114.58 116.53 1sx4 h GLU 354 Ca -0.00 -0.36 -0.24 0.00 0.34 0.00 0.00 59.36 59.10 1sx4 h GLU 354 Cb 0.61 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 1sx4 h GLU 354 CO 0.04 0.97 0.30 0.39 -1.16 0.00 0.00 179.01 179.55 1sx4 n GLU 355 N -4.30 1.58 -3.56 2.33 1.02 -1.11 -4.83 120.64 111.78 1sx4 n GLU 355 Ca -0.05 -1.23 -0.36 0.00 -0.02 0.00 0.00 57.16 55.50 1sx4 n GLU 355 Cb 0.49 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.39 3.60 -0.48 0.62 0.00 -1.14 -4.96 121.76 118.01 1sx4 s ALA 356 Ca 0.24 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.81 1sx4 s ALA 356 Cb 0.19 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1sx4 s ALA 356 CO 0.02 0.11 0.41 0.25 0.00 0.00 0.00 175.76 176.54 1sx4 n THR 357 N 3.52 0.00 -4.43 0.00 -2.24 -1.26 -5.02 114.28 104.84 1sx4 n THR 357 Ca -0.12 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.12 1sx4 n THR 357 Cb 0.52 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.74 3.21 0.03 3.42 0.15 -1.26 -5.07 113.70 112.44 1sx4 s SER 358 Ca 0.04 -1.06 -0.14 0.00 0.70 0.00 0.00 55.95 55.49 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 0.34 -0.09 0.99 0.44 1.20 0.00 0.00 173.24 176.12 1sx4 h ASP 359 N 2.34 0.80 -0.05 5.45 3.32 -1.99 -3.01 116.42 123.26 1sx4 h ASP 359 Ca -0.40 -0.87 -0.05 0.00 0.02 0.00 0.00 57.03 55.74 1sx4 h ASP 359 Cb 1.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1sx4 h ASP 359 CO 0.62 1.69 -0.08 0.22 -1.72 0.00 0.00 179.24 179.97 1sx4 h TYR 360 N 0.14 0.32 0.00 4.55 3.20 -2.01 -1.46 116.97 121.71 1sx4 h TYR 360 Ca -0.25 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1sx4 h TYR 360 Cb 2.15 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.33 1sx4 h TYR 360 CO 0.12 0.40 0.00 -0.44 -1.64 0.00 0.00 178.16 176.60 1sx4 h ASP 361 N 0.30 0.00 0.00 -2.11 5.19 -1.99 -3.12 116.42 114.69 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 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1sx4 h ASP 361 CO 0.02 0.00 0.00 -1.14 -3.12 0.00 0.00 179.24 175.00 1sx4 n ARG 362 N -3.08 0.00 -0.34 3.56 0.63 -0.60 -3.44 116.66 113.40 1sx4 n ARG 362 Ca 0.01 0.46 0.22 0.00 -0.92 0.00 0.00 57.85 57.62 1sx4 n ARG 362 Cb 0.34 -1.03 0.45 0.00 0.45 0.00 0.00 32.46 32.67 1sx4 n ARG 362 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1sx4 h GLU 363 N 0.00 0.37 0.00 -0.14 9.09 -1.55 0.56 114.58 122.91 1sx4 h GLU 363 Ca 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1sx4 h GLU 363 Cb 0.00 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.01 1sx4 h GLU 363 CO 0.00 0.24 -0.13 0.87 0.05 0.00 0.00 179.01 180.05 1sx4 h LYS 364 N 0.38 0.00 0.00 1.06 1.79 -1.71 0.17 116.57 118.26 1sx4 h LYS 364 Ca 0.71 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.92 1sx4 h LYS 364 Cb 1.55 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.16 1sx4 h LYS 364 CO -0.58 0.13 -1.44 -0.07 -1.08 0.00 0.00 179.45 176.41 1sx4 h LEU 365 N 0.00 0.00 0.00 2.94 3.38 0.06 -3.29 115.31 118.40 1sx4 h LEU 365 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1sx4 h LEU 365 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1sx4 h LEU 365 CO 0.02 1.00 -0.61 1.56 0.09 0.00 0.00 178.44 180.49 1sx4 h GLN 366 N 0.00 0.00 0.00 1.13 4.20 -0.79 -1.07 115.11 118.59 1sx4 h GLN 366 Ca -0.18 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1sx4 h GLN 366 Cb 1.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.70 1sx4 h GLN 366 CO 0.10 0.40 -0.14 0.93 -0.67 0.00 0.00 178.83 179.44 1sx4 h GLU 367 N 0.00 0.00 0.06 1.46 5.08 -0.82 -1.47 114.58 118.88 1sx4 h GLU 367 Ca -0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1sx4 h GLU 367 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1sx4 h GLU 367 CO 0.05 0.14 -0.67 0.00 -1.00 0.00 0.00 179.01 177.53 1sx4 h ARG 368 N 0.00 0.12 -0.74 2.33 3.08 -1.57 -2.45 114.38 115.15 1sx4 h ARG 368 Ca -0.00 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 59.94 1sx4 h ARG 368 Cb 0.68 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1sx4 h ARG 368 CO 0.02 1.10 0.49 -0.39 -1.07 0.00 0.00 179.97 180.11 1sx4 h VAL 369 N -0.72 0.95 0.22 2.04 -1.51 -1.23 -2.85 116.25 113.15 1sx4 h VAL 369 Ca -0.15 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 1sx4 h VAL 369 Cb 1.35 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1sx4 h VAL 369 CO 0.01 0.12 -0.11 0.00 -1.23 0.00 0.00 177.57 176.37 1sx4 h ALA 370 N 1.62 -0.89 -0.98 5.19 0.00 -1.33 -2.10 119.26 120.78 1sx4 h ALA 370 Ca 0.34 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.51 1sx4 h ALA 370 Cb 0.45 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 1sx4 h ALA 370 CO -0.12 -0.87 0.46 0.87 0.00 0.00 0.00 179.25 179.59 1sx4 h LYS 371 N -0.35 0.19 0.00 0.00 1.57 -1.40 0.53 116.57 117.11 1sx4 h LYS 371 Ca -0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1sx4 h LYS 371 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sx4 h LYS 371 CO 0.05 0.12 -0.34 1.25 -0.57 0.00 0.00 179.45 179.96 1sx4 h LEU 372 N 0.19 0.00 0.00 2.94 5.85 -1.49 -3.28 115.31 119.52 1sx4 h LEU 372 Ca 0.72 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1sx4 h LEU 372 Cb 1.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1sx4 h LEU 372 CO -0.69 0.91 -0.22 0.00 -0.34 0.00 0.00 178.44 178.11 1sx4 h ALA 373 N -0.56 0.88 -0.22 1.25 0.00 -1.36 -3.38 119.26 115.87 1sx4 h ALA 373 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1sx4 h ALA 373 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sx4 h ALA 373 CO -0.04 0.00 -0.61 0.78 0.00 0.00 0.00 179.25 179.38 1sx4 h GLY 374 N 4.17 0.88 0.00 0.00 0.00 -1.02 -3.50 103.07 103.59 1sx4 h GLY 374 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.21 1sx4 h GLY 374 CO 0.00 1.00 0.00 0.61 0.00 0.00 0.00 176.54 178.15 1sx4 n GLY 375 N 0.51 -0.50 3.04 4.60 0.00 -1.24 -4.93 105.19 106.68 1sx4 n GLY 375 Ca -0.06 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.29 1.27 -0.33 1.61 1.01 -0.55 -4.17 120.40 117.94 1sx4 s VAL 376 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1sx4 s VAL 376 Cb 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1sx4 s VAL 376 CO 0.00 0.39 0.38 0.00 0.00 0.00 0.00 175.10 175.87 1sx4 s ALA 377 N 0.75 3.50 -0.20 5.51 0.00 0.52 -1.63 121.76 130.21 1sx4 s ALA 377 Ca -0.12 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 1sx4 s ALA 377 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1sx4 s ALA 377 CO 0.03 -1.04 0.12 0.14 0.00 0.00 0.00 175.76 175.00 1sx4 s VAL 378 N 2.07 5.28 -0.25 0.00 -7.23 0.24 -0.98 120.40 119.54 1sx4 s VAL 378 Ca 0.13 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 1sx4 s VAL 378 Cb -0.16 -3.41 -0.05 0.00 0.56 0.00 0.00 36.38 33.32 1sx4 s VAL 378 CO 0.12 0.43 0.16 -0.63 -0.31 0.00 0.00 175.10 174.87 1sx4 s ILE 379 N 0.44 5.23 -0.26 -0.62 1.01 0.10 -1.62 121.20 125.47 1sx4 s ILE 379 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1sx4 s ILE 379 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1sx4 s ILE 379 CO -0.01 0.32 0.29 -0.54 0.00 0.00 0.00 174.94 175.01 1sx4 s LYS 380 N 1.27 4.02 -0.36 2.79 1.02 -0.28 -0.89 119.74 127.31 1sx4 s LYS 380 Ca 0.07 -0.09 -0.22 0.00 0.02 0.00 0.00 55.97 55.75 1sx4 s LYS 380 Cb -0.14 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1sx4 s LYS 380 CO 0.06 -0.18 0.70 0.08 -0.92 0.00 0.00 175.35 175.09 1sx4 s VAL 381 N 1.78 4.82 0.16 3.17 1.01 -1.02 -2.21 120.40 128.11 1sx4 s VAL 381 Ca 0.12 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1sx4 s VAL 381 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sx4 s VAL 381 CO 0.09 -0.36 0.36 -0.83 0.00 0.00 0.00 175.10 174.36 1sx4 s GLY 382 N 1.81 1.95 0.19 4.51 0.00 -1.25 -1.32 107.32 113.21 1sx4 s GLY 382 Ca 0.27 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 43.99 1sx4 s GLY 382 CO 0.16 -0.73 1.01 0.00 0.00 0.00 0.00 173.10 173.54 1sx4 s ALA 383 N -1.76 -1.55 -0.14 3.20 0.00 -1.22 -4.70 121.76 115.59 1sx4 s ALA 383 Ca 0.38 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 1sx4 s ALA 383 Cb -0.12 0.73 -0.18 0.00 0.00 0.00 0.00 23.12 23.55 1sx4 s ALA 383 CO 0.28 -1.06 0.49 0.00 0.00 0.00 0.00 175.76 175.48 1sx4 h ALA 384 N 2.00 0.03 -2.57 0.00 0.00 -1.87 -3.36 119.26 113.48 1sx4 h ALA 384 Ca -0.27 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 53.58 1sx4 h ALA 384 Cb 1.22 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 1sx4 h ALA 384 CO 0.35 0.10 -0.68 -0.08 0.00 0.00 0.00 179.25 178.93 1sx4 s THR 385 N -2.08 3.32 0.21 0.00 -1.32 -1.26 -5.04 115.64 109.46 1sx4 s THR 385 Ca -0.16 -1.80 -0.10 0.00 -1.21 0.00 0.00 61.69 58.42 1sx4 s THR 385 Cb -0.01 -2.71 0.15 0.00 -1.51 0.00 0.00 72.50 68.42 1sx4 s THR 385 CO 0.50 -0.25 1.71 -0.08 -2.21 0.00 0.00 174.62 174.29 1sx4 h GLU 386 N 2.38 0.26 0.66 7.08 4.81 -1.99 -0.45 114.58 127.32 1sx4 h GLU 386 Ca -0.45 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1sx4 h GLU 386 Cb 1.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1sx4 h GLU 386 CO 0.58 0.17 -0.39 0.28 -0.73 0.00 0.00 179.01 178.91 1sx4 h VAL 387 N 0.26 0.00 -0.98 0.32 2.07 -1.97 -1.63 116.25 114.33 1sx4 h VAL 387 Ca 0.31 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.98 1sx4 h VAL 387 Cb 0.44 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 1sx4 h VAL 387 CO -0.39 0.00 -0.38 1.21 0.02 0.00 0.00 177.57 178.03 1sx4 n GLU 388 N -4.89 -0.23 0.42 1.57 2.13 -1.18 -0.73 120.64 117.72 1sx4 n GLU 388 Ca -0.12 1.50 -0.20 0.00 0.66 0.00 0.00 57.16 59.01 1sx4 n GLU 388 Cb 0.41 -2.23 -0.10 0.00 0.27 0.00 0.00 31.44 29.79 1sx4 n GLU 388 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1sx4 h MET 389 N 0.00 -1.13 0.00 5.31 4.05 -0.81 1.19 114.93 123.54 1sx4 h MET 389 Ca 0.34 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1sx4 h MET 389 Cb 0.58 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1sx4 h MET 389 CO -0.97 -0.75 0.00 1.63 0.23 0.00 0.00 176.91 177.05 1sx4 n LYS 390 N -5.61 0.79 -0.09 0.39 5.02 -0.63 0.41 118.16 118.43 1sx4 n LYS 390 Ca -0.14 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.97 1sx4 n LYS 390 Cb 0.49 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.34 1.97 4.22 0.54 -3.30 114.58 117.67 1sx4 h GLU 391 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1sx4 h GLU 391 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1sx4 h GLU 391 CO 0.00 0.78 -0.08 -0.22 -2.18 0.00 0.00 179.01 177.31 1sx4 h LYS 392 N -1.00 0.01 -0.94 1.92 3.64 0.19 -0.23 116.57 120.16 1sx4 h LYS 392 Ca -0.24 -0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.39 1sx4 h LYS 392 Cb 1.08 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.77 1sx4 h LYS 392 CO -0.15 0.01 0.45 -0.22 -2.27 0.00 0.00 179.45 177.27 1sx4 h LYS 393 N 0.01 0.38 -0.15 1.90 3.64 -0.26 -0.14 116.57 121.95 1sx4 h LYS 393 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sx4 h LYS 393 Cb 0.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1sx4 h LYS 393 CO -0.34 0.25 0.09 0.00 -2.27 0.00 0.00 179.45 177.19 1sx4 h ALA 394 N 1.75 0.19 0.00 5.00 0.00 -1.14 -2.79 119.26 122.27 1sx4 h ALA 394 Ca 0.61 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 1sx4 h ALA 394 Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1sx4 h ALA 394 CO -0.55 -0.30 -0.50 0.00 0.00 0.00 0.00 179.25 177.90 1sx4 h ARG 395 N 0.17 0.00 -0.65 0.00 3.08 -0.54 -1.88 114.38 114.56 1sx4 h ARG 395 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1sx4 h ARG 395 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1sx4 h ARG 395 CO -0.01 0.50 0.35 0.28 -1.07 0.00 0.00 179.97 180.02 1sx4 h VAL 396 N 0.00 1.21 -0.02 2.04 2.07 -1.01 0.11 116.25 120.65 1sx4 h VAL 396 Ca -0.01 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1sx4 h VAL 396 Cb 0.96 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1sx4 h VAL 396 CO 0.07 0.23 -0.49 -0.33 0.02 0.00 0.00 177.57 177.07 1sx4 h GLU 397 N 0.89 0.06 -0.16 1.57 5.08 -1.19 -1.42 114.58 119.40 1sx4 h GLU 397 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1sx4 h GLU 397 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sx4 h GLU 397 CO -0.03 0.54 0.06 -0.44 -1.00 0.00 0.00 179.01 178.13 1sx4 h ASP 398 N 0.05 0.23 0.31 1.42 3.32 -0.51 -2.43 116.42 118.81 1sx4 h ASP 398 Ca -0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1sx4 h ASP 398 Cb 0.88 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1sx4 h ASP 398 CO 0.07 0.35 -0.15 0.00 -1.72 0.00 0.00 179.24 177.79 1sx4 h ALA 399 N 0.89 -0.42 -0.92 3.45 0.00 -0.72 -1.67 119.26 119.88 1sx4 h ALA 399 Ca 0.05 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 399 Cb 0.20 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 1sx4 h ALA 399 CO -0.00 -0.60 -0.04 1.25 0.00 0.00 0.00 179.25 179.86 1sx4 h LEU 400 N -0.69 -0.54 0.20 0.00 5.85 -1.30 0.23 115.31 119.06 1sx4 h LEU 400 Ca -0.04 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1sx4 h LEU 400 Cb 0.48 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1sx4 h LEU 400 CO 0.07 -0.30 -0.29 0.45 -0.34 0.00 0.00 178.44 178.03 1sx4 h HIS 401 N 0.03 -0.78 0.00 1.25 3.86 -0.98 -0.20 115.15 118.32 1sx4 h HIS 401 Ca 0.52 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.73 1sx4 h HIS 401 Cb 0.97 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.76 1sx4 h HIS 401 CO -0.54 -0.41 -0.06 0.00 0.86 0.00 0.00 177.93 177.79 1sx4 h ALA 402 N 0.08 1.14 0.07 2.45 0.00 0.25 -2.45 119.26 120.80 1sx4 h ALA 402 Ca 0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1sx4 h ALA 402 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sx4 h ALA 402 CO -0.12 0.07 -0.97 1.15 0.00 0.00 0.00 179.25 179.38 1sx4 h THR 403 N 0.00 1.25 -0.92 0.00 2.02 -0.52 0.13 112.91 114.86 1sx4 h THR 403 Ca -0.00 -2.36 0.19 0.00 0.77 0.00 0.00 66.41 65.02 1sx4 h THR 403 Cb 0.30 2.83 -0.07 0.00 -1.74 0.00 0.00 68.15 69.46 1sx4 h THR 403 CO 0.01 0.60 0.60 0.03 0.37 0.00 0.00 175.52 177.12 1sx4 h ARG 404 N -0.63 0.50 0.03 6.66 3.08 -0.97 -0.09 114.38 122.97 1sx4 h ARG 404 Ca -0.22 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.57 1sx4 h ARG 404 Cb 1.47 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.43 1sx4 h ARG 404 CO -0.00 0.33 -0.90 0.00 -1.07 0.00 0.00 179.97 178.33 1sx4 h ALA 405 N 1.61 0.06 -0.69 0.04 0.00 -1.37 -3.07 119.26 115.85 1sx4 h ALA 405 Ca 0.49 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1sx4 h ALA 405 Cb 1.06 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1sx4 h ALA 405 CO -0.22 0.53 0.24 0.00 0.00 0.00 0.00 179.25 179.81 1sx4 h ALA 406 N 0.32 0.90 0.32 0.00 0.00 0.49 -2.77 119.26 118.52 1sx4 h ALA 406 Ca -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1sx4 h ALA 406 Cb 1.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1sx4 h ALA 406 CO 0.18 0.56 -0.34 0.28 0.00 0.00 0.00 179.25 179.92 1sx4 h VAL 407 N 1.00 0.00 -0.67 0.00 2.07 -1.11 0.46 116.25 118.00 1sx4 h VAL 407 Ca 0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 1sx4 h VAL 407 Cb 0.26 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.91 1sx4 h VAL 407 CO -0.01 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 176.97 1sx4 h GLU 408 N -0.66 -0.08 0.00 1.57 5.08 -1.45 -3.36 114.58 115.68 1sx4 h GLU 408 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sx4 h GLU 408 Cb 0.58 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sx4 h GLU 408 CO -0.05 -0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.29 1sx4 n GLU 409 N -5.46 -0.23 0.00 2.33 1.02 -1.05 -5.07 120.64 112.19 1sx4 n GLU 409 Ca 0.07 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1sx4 n GLU 409 Cb 0.37 -0.76 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 -0.04 -3.06 3.51 0.62 0.00 0.16 -4.49 105.19 101.89 1sx4 n GLY 410 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.77 2.33 0.36 1.61 -7.23 -0.63 0.12 120.40 116.18 1sx4 s VAL 411 Ca 0.00 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1sx4 s VAL 411 Cb 0.00 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 1sx4 s VAL 411 CO 0.00 -0.30 0.46 0.68 -0.31 0.00 0.00 175.10 175.63 1sx4 s VAL 412 N -2.58 0.00 0.08 1.32 -7.23 0.54 -2.16 120.40 110.37 1sx4 s VAL 412 Ca 0.31 -1.67 -0.32 0.00 -1.81 0.00 0.00 61.98 58.49 1sx4 s VAL 412 Cb -0.01 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 1sx4 s VAL 412 CO 0.16 0.00 1.81 0.00 -0.31 0.00 0.00 175.10 176.76 1sx4 n ALA 413 N -0.61 1.73 1.26 1.32 0.00 -1.26 -0.91 120.51 122.04 1sx4 n ALA 413 Ca 0.02 0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1sx4 n ALA 413 Cb 0.61 -2.54 0.32 0.00 0.00 0.00 0.00 19.45 17.85 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 4.15 0.33 1.90 0.00 0.00 -0.17 -2.18 105.19 109.22 1sx4 n GLY 414 Ca 0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 1.27 3.54 1.92 -0.02 0.00 -1.26 -4.71 105.19 105.93 1sx4 n GLY 415 Ca 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.27 2.29 0.24 -0.02 0.00 -1.26 -4.35 105.19 101.82 1sx4 n GLY 416 Ca 0.39 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.28 -0.13 1.61 0.31 -1.26 0.11 118.33 118.68 1sx4 n VAL 417 Ca 0.00 1.53 -0.05 0.00 -0.01 0.00 0.00 64.34 65.81 1sx4 n VAL 417 Cb 0.00 -2.13 0.02 0.00 -0.91 0.00 0.00 33.84 30.82 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 1.34 0.17 -0.11 3.52 0.00 -1.80 -0.61 119.26 121.77 1sx4 h ALA 418 Ca 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1sx4 h ALA 418 Cb 0.56 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1sx4 h ALA 418 CO -0.68 -0.52 0.05 -0.07 0.00 0.00 0.00 179.25 178.03 1sx4 h LEU 419 N -0.08 0.15 -1.32 0.00 -0.00 0.44 -0.96 115.31 113.54 1sx4 h LEU 419 Ca 0.21 -0.15 0.27 0.00 -0.00 0.00 0.00 57.88 58.22 1sx4 h LEU 419 Cb 0.41 -0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 40.93 1sx4 h LEU 419 CO -0.50 0.26 0.67 0.40 -0.00 0.00 0.00 178.44 179.27 1sx4 h ILE 420 N 0.04 0.50 0.12 1.22 1.08 -1.23 -1.61 117.51 117.63 1sx4 h ILE 420 Ca 0.04 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1sx4 h ILE 420 Cb 0.15 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1sx4 h ILE 420 CO -0.00 0.07 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.38 1sx4 h ARG 421 N 0.40 -0.16 -0.42 2.37 9.65 0.07 -2.92 114.38 123.38 1sx4 h ARG 421 Ca 0.61 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.52 1sx4 h ARG 421 Cb 1.53 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 30.13 1sx4 h ARG 421 CO -0.32 0.29 0.28 -0.39 2.80 0.00 0.00 179.97 182.62 1sx4 h VAL 422 N -0.91 1.07 -0.27 0.20 -1.51 -0.84 -1.95 116.25 112.04 1sx4 h VAL 422 Ca -0.02 -0.18 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 1sx4 h VAL 422 Cb 0.52 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1sx4 h VAL 422 CO 0.03 0.09 0.07 0.00 -1.23 0.00 0.00 177.57 176.53 1sx4 h ALA 423 N 1.75 0.36 0.00 5.19 0.00 -1.34 -2.72 119.26 122.50 1sx4 h ALA 423 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sx4 h ALA 423 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sx4 h ALA 423 CO -0.04 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.89 1sx4 h SER 424 N 0.27 0.00 0.07 0.00 4.64 -1.16 -2.80 113.55 114.57 1sx4 h SER 424 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1sx4 h SER 424 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1sx4 h SER 424 CO 0.00 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.04 1sx4 h LYS 425 N 0.00 -0.09 -2.04 4.77 1.57 -1.24 -3.34 116.57 116.21 1sx4 h LYS 425 Ca 0.00 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.15 1sx4 h LYS 425 Cb 0.30 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 32.41 1sx4 h LYS 425 CO 0.00 0.47 0.80 1.47 -0.57 0.00 0.00 179.45 181.61 1sx4 n LEU 426 N -4.79 7.03 -1.48 2.94 -0.00 -1.04 -4.38 117.00 115.28 1sx4 n LEU 426 Ca -0.07 -4.49 -0.03 0.00 -0.00 0.00 0.00 56.01 51.42 1sx4 n LEU 426 Cb 0.29 -1.17 0.19 0.00 -0.00 0.00 0.00 43.42 42.73 1sx4 n LEU 426 CO 0.25 1.77 0.75 0.00 -0.00 0.00 0.00 177.39 180.16 1sx4 n ALA 427 N 0.27 3.70 0.32 1.47 0.00 -1.19 -3.18 120.51 121.90 1sx4 n ALA 427 Ca 0.52 -1.35 0.07 0.00 0.00 0.00 0.00 53.44 52.68 1sx4 n ALA 427 Cb 0.39 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 0.05 1.13 -4.52 0.00 9.92 -1.26 -5.07 116.55 116.80 1sx4 n ASP 428 Ca 0.24 -0.39 -0.49 0.00 -0.53 0.00 0.00 54.79 53.62 1sx4 n ASP 428 Cb 0.96 1.37 -0.04 0.00 -0.64 0.00 0.00 41.12 42.78 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sx4 n LEU 429 N -1.71 0.65 -4.45 0.64 7.94 -1.19 -4.96 117.00 113.92 1sx4 n LEU 429 Ca -0.00 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.83 1sx4 n LEU 429 Cb 0.32 -1.13 -0.11 0.00 0.53 0.00 0.00 43.42 43.04 1sx4 n LEU 429 CO 0.31 -1.87 -0.28 -0.13 -1.11 0.00 0.00 177.39 174.32 1sx4 s ARG 430 N -0.82 1.65 0.00 1.96 1.81 -1.26 -4.99 118.95 117.30 1sx4 s ARG 430 Ca 0.69 -1.91 0.00 0.00 -1.72 0.00 0.00 55.73 52.79 1sx4 s ARG 430 Cb -0.88 -0.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 1sx4 s ARG 430 CO 0.56 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.41 1sx4 n GLY 431 N -0.68 6.42 0.32 -3.53 0.00 -1.26 -4.99 105.19 101.47 1sx4 n GLY 431 Ca -0.02 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 0.45 -1.83 1.61 3.00 -1.26 -4.84 117.38 114.51 1sx4 n GLN 432 Ca 0.00 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1sx4 n GLN 432 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 30.24 28.95 1sx4 n GLN 432 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1sx4 s ASN 433 N -6.63 6.46 0.12 1.08 3.04 -1.26 -4.84 114.94 112.91 1sx4 s ASN 433 Ca -0.28 2.81 0.06 0.00 0.04 0.00 0.00 52.86 55.49 1sx4 s ASN 433 Cb 0.09 -2.61 0.32 0.00 -1.54 0.00 0.00 41.25 37.51 1sx4 s ASN 433 CO 0.37 -0.89 1.06 -1.84 -3.04 0.00 0.00 177.10 172.76 1sx4 n GLU 434 N 3.26 0.04 0.09 0.43 0.28 -1.26 0.55 120.64 124.03 1sx4 n GLU 434 Ca 0.12 0.44 -0.04 0.00 -0.16 0.00 0.00 57.16 57.52 1sx4 n GLU 434 Cb 0.37 -1.80 -0.00 0.00 1.43 0.00 0.00 31.44 31.44 1sx4 n GLU 434 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1sx4 h ASP 435 N 0.00 0.00 0.76 -1.84 3.32 -1.95 -2.90 116.42 113.81 1sx4 h ASP 435 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1sx4 h ASP 435 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1sx4 h ASP 435 CO 0.00 0.83 -0.85 1.56 -1.72 0.00 0.00 179.24 179.05 1sx4 h GLN 436 N 0.00 0.06 0.30 3.56 4.20 -0.11 -2.60 115.11 120.52 1sx4 h GLN 436 Ca -0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sx4 h GLN 436 Cb 1.49 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 1sx4 h GLN 436 CO 0.11 0.88 -0.23 -0.91 -0.67 0.00 0.00 178.83 178.00 1sx4 h ASN 437 N 0.03 -0.60 -0.73 1.46 2.35 -1.43 0.28 115.58 116.94 1sx4 h ASN 437 Ca -0.02 0.05 0.15 0.00 -0.55 0.00 0.00 56.30 55.93 1sx4 h ASN 437 Cb 1.49 0.19 -0.11 0.00 0.05 0.00 0.00 38.32 39.95 1sx4 h ASN 437 CO 0.12 -0.35 0.19 0.58 -1.65 0.00 0.00 177.43 176.32 1sx4 h VAL 438 N -0.53 0.54 -0.06 2.81 2.07 -1.44 0.34 116.25 119.98 1sx4 h VAL 438 Ca -0.02 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1sx4 h VAL 438 Cb 0.47 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1sx4 h VAL 438 CO -0.01 0.05 -0.11 1.23 0.02 0.00 0.00 177.57 178.76 1sx4 h GLY 439 N 0.29 -0.07 0.54 2.17 0.00 -1.02 0.21 103.07 105.20 1sx4 h GLY 439 Ca 0.41 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.92 1sx4 h GLY 439 CO -0.49 -0.11 0.06 -2.22 0.00 0.00 0.00 176.54 173.78 1sx4 h ILE 440 N -0.15 0.80 0.31 2.60 2.04 0.17 -1.61 117.51 121.67 1sx4 h ILE 440 Ca 0.06 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1sx4 h ILE 440 Cb 0.24 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1sx4 h ILE 440 CO -0.15 0.03 -0.15 0.11 0.00 0.00 0.00 178.15 177.99 1sx4 h LYS 441 N 0.18 -0.40 -0.92 2.37 1.57 0.32 0.23 116.57 119.92 1sx4 h LYS 441 Ca 0.17 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.17 1sx4 h LYS 441 Cb 0.21 0.09 -0.18 0.00 0.08 0.00 0.00 32.23 32.43 1sx4 h LYS 441 CO -0.24 -0.14 -0.21 0.28 -0.57 0.00 0.00 179.45 178.58 1sx4 n VAL 442 N -5.18 -0.39 -0.14 0.50 0.31 0.68 -0.49 118.33 113.63 1sx4 n VAL 442 Ca -0.10 2.11 -0.12 0.00 -0.01 0.00 0.00 64.34 66.22 1sx4 n VAL 442 Cb 0.24 -2.93 -0.01 0.00 -0.91 0.00 0.00 33.84 30.23 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 1.85 0.59 -0.22 3.52 0.00 -0.34 -1.91 119.26 122.74 1sx4 h ALA 443 Ca 0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sx4 h ALA 443 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sx4 h ALA 443 CO -0.94 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 178.81 1sx4 h LEU 444 N 0.70 0.37 -0.55 0.00 3.38 0.79 -2.43 115.31 117.56 1sx4 h LEU 444 Ca 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1sx4 h LEU 444 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1sx4 h LEU 444 CO 0.06 0.55 0.00 -0.09 0.09 0.00 0.00 178.44 179.05 1sx4 h ARG 445 N 0.17 0.00 0.00 1.13 2.43 -0.75 -1.43 114.38 115.92 1sx4 h ARG 445 Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1sx4 h ARG 445 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1sx4 h ARG 445 CO 0.01 0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.23 1sx4 h ALA 446 N 2.21 1.13 0.00 2.80 0.00 -0.85 -3.04 119.26 121.52 1sx4 h ALA 446 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sx4 h ALA 446 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sx4 h ALA 446 CO 0.00 0.29 0.00 0.52 0.00 0.00 0.00 179.25 180.06 1sx4 h MET 447 N 0.00 0.00 -0.00 0.00 2.86 -1.11 -1.95 114.93 114.73 1sx4 h MET 447 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sx4 h MET 447 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1sx4 h MET 447 CO 0.03 0.00 -0.10 0.39 1.06 0.00 0.00 176.91 178.29 1sx4 n GLU 448 N -2.98 0.05 -0.04 1.72 1.02 -1.15 -3.79 120.64 115.48 1sx4 n GLU 448 Ca 0.03 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1sx4 n GLU 448 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 1sx4 n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sx4 h ALA 449 N 3.05 0.09 -0.22 0.62 0.00 -1.50 0.26 119.26 121.55 1sx4 h ALA 449 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 449 Cb 0.48 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1sx4 h ALA 449 CO 0.00 -0.51 0.06 -1.35 0.00 0.00 0.00 179.25 177.45 1sx4 h PRO 450 N -0.06 0.15 0.08 0.00 0.11 -1.80 0.13 132.00 130.60 1sx4 h PRO 450 Ca 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1sx4 h PRO 450 Cb 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1sx4 h PRO 450 CO -0.23 0.10 -0.04 1.25 -0.21 0.00 0.00 178.00 178.87 1sx4 h LEU 451 N 0.15 -0.09 -1.00 2.35 5.85 -1.67 0.33 115.31 121.23 1sx4 h LEU 451 Ca 0.10 -0.10 0.22 0.00 0.84 0.00 0.00 57.88 58.93 1sx4 h LEU 451 Cb 0.08 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 1sx4 h LEU 451 CO -0.12 0.05 0.60 0.03 -0.34 0.00 0.00 178.44 178.67 1sx4 h ARG 452 N -0.22 0.66 -0.21 1.25 3.08 -0.60 -0.75 114.38 117.60 1sx4 h ARG 452 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1sx4 h ARG 452 Cb 0.19 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1sx4 h ARG 452 CO 0.02 0.44 -0.17 0.37 -1.07 0.00 0.00 179.97 179.55 1sx4 h GLN 453 N 0.68 0.48 -0.09 0.04 5.75 0.95 -0.86 115.11 122.06 1sx4 h GLN 453 Ca 0.61 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.89 1sx4 h GLN 453 Cb 1.05 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1sx4 h GLN 453 CO -0.43 0.81 -0.07 0.82 -2.65 0.00 0.00 178.83 177.32 1sx4 h ILE 454 N 0.16 0.80 -0.72 2.39 1.08 0.98 -1.46 117.51 120.74 1sx4 h ILE 454 Ca 0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.64 1sx4 h ILE 454 Cb 0.71 0.80 -0.09 0.00 -3.07 0.00 0.00 36.82 35.16 1sx4 h ILE 454 CO 0.04 0.00 0.26 0.58 -0.69 0.00 0.00 178.15 178.35 1sx4 h VAL 455 N -0.07 0.66 0.40 1.67 2.07 -1.21 -1.81 116.25 117.94 1sx4 h VAL 455 Ca 0.06 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1sx4 h VAL 455 Cb 0.16 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1sx4 h VAL 455 CO -0.14 0.07 -0.19 0.25 0.02 0.00 0.00 177.57 177.58 1sx4 h LEU 456 N 0.41 -0.45 -0.93 2.57 5.85 -0.33 -1.64 115.31 120.79 1sx4 h LEU 456 Ca 0.39 -0.06 0.27 0.00 0.84 0.00 0.00 57.88 59.33 1sx4 h LEU 456 Cb 0.58 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.58 1sx4 h LEU 456 CO -0.40 -0.22 0.36 0.78 -0.34 0.00 0.00 178.44 178.62 1sx4 h ASN 457 N -0.66 0.18 0.63 1.25 2.35 -0.97 1.22 115.58 119.59 1sx4 h ASN 457 Ca -0.05 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1sx4 h ASN 457 Cb 0.48 0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1sx4 h ASN 457 CO 0.09 -0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 1sx4 n GLY 459 N -0.23 0.59 3.95 0.00 0.00 0.42 -5.03 105.19 104.90 1sx4 n GLY 459 Ca 0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 2.18 0.01 1.61 0.41 -0.83 -5.02 118.70 116.80 1sx4 s GLU 460 Ca 0.00 -0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1sx4 s GLU 460 Cb 0.00 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.03 1sx4 s GLU 460 CO 0.00 -1.15 1.23 -1.21 -0.49 0.00 0.00 175.26 173.64 1sx4 s GLU 461 N -5.11 4.38 -0.00 1.61 0.41 -1.26 -3.91 118.70 114.81 1sx4 s GLU 461 Ca 0.61 1.76 -0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1sx4 s GLU 461 Cb -0.10 -3.46 -0.00 0.00 -1.78 0.00 0.00 34.13 28.80 1sx4 s GLU 461 CO 0.43 -0.37 -0.00 -1.35 -0.49 0.00 0.00 175.26 173.48 1sx4 h PRO 462 N 7.19 0.00 -0.24 0.39 0.11 -1.89 -3.10 132.00 134.46 1sx4 h PRO 462 Ca -0.38 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.76 1sx4 h PRO 462 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1sx4 h PRO 462 CO 0.85 0.00 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.41 1sx4 n SER 463 N -2.14 -0.16 0.17 -2.05 3.41 -1.26 -0.33 113.62 111.26 1sx4 n SER 463 Ca -0.00 0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.89 1sx4 n SER 463 Cb 0.00 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.68 -0.95 -3.33 2.07 -2.00 -0.35 116.25 112.36 1sx4 h VAL 464 Ca 0.08 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1sx4 h VAL 464 Cb 0.14 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1sx4 h VAL 464 CO -0.24 0.09 0.62 0.58 0.02 0.00 0.00 177.57 178.65 1sx4 h VAL 465 N -0.71 1.08 0.61 2.57 2.07 -1.08 -2.06 116.25 118.73 1sx4 h VAL 465 Ca -0.05 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1sx4 h VAL 465 Cb 0.49 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1sx4 h VAL 465 CO 0.07 0.20 -0.45 0.00 0.02 0.00 0.00 177.57 177.41 1sx4 h ALA 466 N 1.48 -1.19 -0.57 1.67 0.00 -0.55 0.11 119.26 120.22 1sx4 h ALA 466 Ca 0.41 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1sx4 h ALA 466 Cb 0.18 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1sx4 h ALA 466 CO -0.16 -1.18 0.02 -0.97 0.00 0.00 0.00 179.25 176.96 1sx4 h ASN 467 N -1.02 -0.21 0.02 0.00 -1.24 -0.96 0.01 115.58 112.18 1sx4 h ASN 467 Ca -0.08 0.13 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 1sx4 h ASN 467 Cb 0.84 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 1sx4 h ASN 467 CO 0.03 -0.08 -0.31 0.71 -1.29 0.00 0.00 177.43 176.50 1sx4 h THR 468 N 0.14 1.28 -0.65 -3.57 1.35 -1.31 -2.07 112.91 108.07 1sx4 h THR 468 Ca 0.29 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1sx4 h THR 468 Cb 0.46 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 1sx4 h THR 468 CO -0.46 0.42 0.42 0.58 -0.25 0.00 0.00 175.52 176.23 1sx4 h VAL 469 N 0.37 1.17 -0.81 6.82 2.07 1.00 -2.47 116.25 124.40 1sx4 h VAL 469 Ca 0.05 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1sx4 h VAL 469 Cb 0.73 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1sx4 h VAL 469 CO 0.06 0.17 0.53 0.11 0.02 0.00 0.00 177.57 178.46 1sx4 h LYS 470 N 0.89 0.65 0.00 1.57 1.57 -0.87 -2.61 116.57 117.77 1sx4 h LYS 470 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1sx4 h LYS 470 Cb -0.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1sx4 h LYS 470 CO -0.05 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 179.67 1sx4 n GLY 471 N -1.45 -1.11 0.00 3.86 0.00 -0.80 -4.72 105.19 100.96 1sx4 n GLY 471 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1sx4 n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 472 N -0.47 1.69 3.16 -0.02 0.00 -0.99 -5.11 105.19 103.46 1sx4 n GLY 472 Ca 0.01 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 1sx4 n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 473 N -1.00 0.31 1.71 1.61 1.01 -1.26 -5.04 116.67 114.01 1sx4 s ASP 473 Ca 0.00 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1sx4 s ASP 473 Cb 0.00 0.28 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1sx4 s ASP 473 CO 0.00 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.30 1sx4 n GLY 474 N -0.02 3.88 1.64 0.21 0.00 -1.26 -1.52 105.19 108.14 1sx4 n GLY 474 Ca -0.11 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 6.85 3.04 -4.73 1.61 3.02 -1.26 -4.94 115.26 118.85 1sx4 n ASN 475 Ca 0.00 -3.72 -0.42 0.00 -0.03 0.00 0.00 54.58 50.41 1sx4 n ASN 475 Cb 0.00 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 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 -3.28 3.34 0.00 3.10 5.04 -0.57 0.12 117.35 125.09 1sx4 s TYR 476 Ca 0.50 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1sx4 s TYR 476 Cb 0.44 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1sx4 s TYR 476 CO 0.04 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 172.97 1sx4 n GLY 477 N 2.80 2.15 3.36 8.97 0.00 0.17 -4.76 105.19 117.88 1sx4 n GLY 477 Ca 0.08 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 -8.39 2.78 -0.66 1.61 5.04 -1.26 -1.67 117.35 114.80 1sx4 s TYR 478 Ca 0.00 -0.66 -0.13 0.00 -2.44 0.00 0.00 57.07 53.84 1sx4 s TYR 478 Cb 0.00 -1.82 0.17 0.00 0.35 0.00 0.00 41.96 40.66 1sx4 s TYR 478 CO 0.00 -0.21 0.59 1.21 -1.34 0.00 0.00 175.55 175.81 1sx4 s ASN 479 N 0.28 6.32 0.57 4.32 2.47 -0.40 -4.79 114.94 123.72 1sx4 s ASN 479 Ca -0.10 -2.27 0.28 0.00 0.42 0.00 0.00 52.86 51.19 1sx4 s ASN 479 Cb -0.16 -2.16 1.48 0.00 -1.45 0.00 0.00 41.25 38.96 1sx4 s ASN 479 CO 0.06 -0.68 1.95 0.00 -3.72 0.00 0.00 177.10 174.71 1sx4 h ALA 480 N 8.23 2.29 -0.63 1.71 0.00 -1.96 0.11 119.26 129.02 1sx4 h ALA 480 Ca -0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1sx4 h ALA 480 Cb 1.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1sx4 h ALA 480 CO 0.87 -0.68 0.09 0.00 0.00 0.00 0.00 179.25 179.53 1sx4 h ALA 481 N 1.59 0.98 -0.10 0.00 0.00 -1.95 -3.27 119.26 116.52 1sx4 h ALA 481 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 481 Cb 1.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 481 CO -0.00 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.14 1sx4 n THR 482 N -4.22 0.48 -4.16 0.00 -2.24 -0.55 -4.99 114.28 98.60 1sx4 n THR 482 Ca 0.04 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 60.74 1sx4 n THR 482 Cb 0.29 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.23 -3.26 -5.15 -0.78 1.02 0.28 -5.00 120.64 107.99 1sx4 n GLU 483 Ca 0.05 0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 57.27 1sx4 n GLU 483 Cb 0.25 -4.98 -0.15 0.00 -0.02 0.00 0.00 31.44 26.54 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 -6.86 2.05 0.54 3.49 2.02 -1.21 -4.94 118.70 113.79 1sx4 s GLU 484 Ca 0.59 -0.96 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 1sx4 s GLU 484 Cb -0.32 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1sx4 s GLU 484 CO 0.92 0.55 0.87 0.71 0.02 0.00 0.00 175.26 178.33 1sx4 s TYR 485 N -0.68 3.48 -3.12 1.61 1.51 -1.26 -1.27 117.35 117.62 1sx4 s TYR 485 Ca 0.11 0.86 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 1sx4 s TYR 485 Cb -0.10 -2.52 0.00 0.00 -0.11 0.00 0.00 41.96 39.23 1sx4 s TYR 485 CO 0.00 -0.53 0.00 0.41 -1.11 0.00 0.00 175.55 174.32 1sx4 n GLY 486 N -2.46 -0.85 3.51 0.71 0.00 -0.67 -4.94 105.19 100.49 1sx4 n GLY 486 Ca 0.03 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 6.31 0.57 1.61 3.84 -1.26 0.45 114.94 122.46 1sx4 s ASN 487 Ca 0.00 -0.47 0.33 0.00 0.21 0.00 0.00 52.86 52.93 1sx4 s ASN 487 Cb 0.00 -2.43 1.45 0.00 -0.55 0.00 0.00 41.25 39.72 1sx4 s ASN 487 CO 0.00 -1.24 1.77 0.24 -2.79 0.00 0.00 177.10 175.08 1sx4 h MET 488 N 9.33 0.00 0.00 0.43 2.86 0.64 0.91 114.93 129.10 1sx4 h MET 488 Ca -0.27 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1sx4 h MET 488 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1sx4 h MET 488 CO 1.09 0.00 -0.49 0.82 1.06 0.00 0.00 176.91 179.40 1sx4 h ILE 489 N 0.00 1.47 -0.57 -1.22 2.04 -1.74 0.43 117.51 117.92 1sx4 h ILE 489 Ca 0.44 -2.29 0.12 0.00 1.00 0.00 0.00 64.86 64.13 1sx4 h ILE 489 Cb 1.99 2.96 -0.10 0.00 -0.74 0.00 0.00 36.82 40.93 1sx4 h ILE 489 CO -0.00 0.50 -0.02 0.44 0.00 0.00 0.00 178.15 179.07 1sx4 h ASP 490 N -0.98 -0.28 0.00 1.72 5.19 -1.56 -0.28 116.42 120.22 1sx4 h ASP 490 Ca -0.13 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1sx4 h ASP 490 Cb 1.13 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1sx4 h ASP 490 CO -0.07 -0.11 0.00 0.23 -3.12 0.00 0.00 179.24 176.17 1sx4 n MET 491 N -5.28 0.71 -1.41 3.56 2.81 0.18 -4.85 117.12 112.84 1sx4 n MET 491 Ca 0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.95 1sx4 n MET 491 Cb 0.32 -1.22 -0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.30 0.42 3.10 3.03 0.00 -0.12 -5.01 105.19 106.91 1sx4 n GLY 492 Ca 0.07 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.06 3.34 0.03 -0.61 -1.09 0.13 -4.96 121.20 115.98 1sx4 s ILE 493 Ca 0.00 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 56.00 1sx4 s ILE 493 Cb 0.00 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1sx4 s ILE 493 CO 0.00 -0.75 -0.03 -1.48 -1.23 0.00 0.00 174.94 171.44 1sx4 s LEU 494 N 0.68 2.30 -0.06 2.97 2.34 -1.26 -1.00 118.68 124.65 1sx4 s LEU 494 Ca 0.12 -0.62 0.05 0.00 0.06 0.00 0.00 54.13 53.73 1sx4 s LEU 494 Cb -0.22 0.09 -0.02 0.00 -0.56 0.00 0.00 46.19 45.49 1sx4 s LEU 494 CO -0.04 -0.36 -0.19 -1.81 -1.06 0.00 0.00 176.35 172.89 1sx4 s ASP 495 N -1.82 3.56 0.54 1.48 1.01 -0.08 -4.63 116.67 116.72 1sx4 s ASP 495 Ca -0.10 -0.36 -0.20 0.00 0.71 0.00 0.00 52.55 52.61 1sx4 s ASP 495 Cb -0.06 -0.85 -0.08 0.00 1.01 0.00 0.00 42.92 42.94 1sx4 s ASP 495 CO -0.03 0.29 0.76 -2.65 0.21 0.00 0.00 175.17 173.75 1sx4 n PRO 496 N 2.68 0.80 -0.12 8.23 -0.02 -1.26 -0.34 135.00 144.97 1sx4 n PRO 496 Ca -0.17 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1sx4 n PRO 496 Cb 0.52 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.63 1.25 -0.77 3.45 2.02 0.66 -2.27 112.91 117.88 1sx4 h THR 497 Ca -0.46 -0.92 0.18 0.00 0.77 0.00 0.00 66.41 65.98 1sx4 h THR 497 Cb 1.38 1.18 -0.12 0.00 -1.74 0.00 0.00 68.15 68.84 1sx4 h THR 497 CO 0.51 0.31 0.12 0.50 0.37 0.00 0.00 175.52 177.32 1sx4 h LYS 498 N 0.41 0.18 -0.08 6.66 3.64 -1.81 -1.81 116.57 123.75 1sx4 h LYS 498 Ca 0.10 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 1sx4 h LYS 498 Cb 0.42 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1sx4 h LYS 498 CO 0.01 0.12 -0.83 -0.39 -2.27 0.00 0.00 179.45 176.09 1sx4 h VAL 499 N 0.19 1.34 -0.28 2.00 -1.51 -1.71 -0.68 116.25 115.59 1sx4 h VAL 499 Ca 0.44 -2.16 -0.03 0.00 -1.23 0.00 0.00 66.70 63.72 1sx4 h VAL 499 Cb 0.79 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 1sx4 h VAL 499 CO -0.60 0.66 0.06 0.74 -1.23 0.00 0.00 177.57 177.20 1sx4 h THR 500 N 0.37 1.22 0.85 7.19 2.02 -1.04 -2.54 112.91 120.98 1sx4 h THR 500 Ca -0.06 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1sx4 h THR 500 Cb 1.45 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1sx4 h THR 500 CO 0.16 0.24 -0.48 -0.09 0.37 0.00 0.00 175.52 175.71 1sx4 h ARG 501 N 0.29 -1.19 -0.71 6.66 2.43 -1.24 -2.26 114.38 118.35 1sx4 h ARG 501 Ca 0.09 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1sx4 h ARG 501 Cb 0.30 0.27 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 1sx4 h ARG 501 CO 0.00 -0.79 -0.44 0.77 -1.51 0.00 0.00 179.97 178.00 1sx4 h SER 502 N -1.24 -1.61 -0.69 -3.80 0.02 -1.18 0.48 113.55 105.53 1sx4 h SER 502 Ca -0.12 0.24 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1sx4 h SER 502 Cb 0.98 0.71 -0.10 0.00 0.14 0.00 0.00 62.40 64.13 1sx4 h SER 502 CO 0.14 -0.19 -0.35 0.00 -1.14 0.00 0.00 176.83 175.30 1sx4 n ALA 503 N -3.17 -0.28 -0.05 3.77 0.00 -0.96 0.14 120.51 119.96 1sx4 n ALA 503 Ca 0.01 0.63 -0.12 0.00 0.00 0.00 0.00 53.44 53.96 1sx4 n ALA 503 Cb 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1sx4 n ALA 503 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sx4 h LEU 504 N 0.00 0.30 -0.46 0.00 6.46 0.21 -0.75 115.31 121.08 1sx4 h LEU 504 Ca 0.17 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1sx4 h LEU 504 Cb 0.34 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1sx4 h LEU 504 CO -0.66 0.58 0.28 1.56 -0.62 0.00 0.00 178.44 179.57 1sx4 h GLN 505 N 0.02 0.54 -0.27 1.25 4.20 0.10 0.12 115.11 121.08 1sx4 h GLN 505 Ca 0.04 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1sx4 h GLN 505 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1sx4 h GLN 505 CO 0.01 0.36 -0.34 1.88 -0.67 0.00 0.00 178.83 180.07 1sx4 h TYR 506 N 0.55 0.67 -0.44 2.96 0.05 -0.24 -0.01 116.97 120.51 1sx4 h TYR 506 Ca 0.18 -0.18 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1sx4 h TYR 506 Cb 0.00 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1sx4 h TYR 506 CO -0.07 0.85 -0.25 0.00 -1.05 0.00 0.00 178.16 177.64 1sx4 h ALA 507 N 1.14 0.71 0.00 3.88 0.00 -0.42 -2.93 119.26 121.63 1sx4 h ALA 507 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1sx4 h ALA 507 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 507 CO 0.07 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 1sx4 h ALA 508 N 0.90 1.28 -0.02 0.00 0.00 0.23 -2.46 119.26 119.18 1sx4 h ALA 508 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sx4 h ALA 508 Cb 0.82 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sx4 h ALA 508 CO 0.07 0.29 -0.02 1.03 0.00 0.00 0.00 179.25 180.62 1sx4 h SER 509 N 0.00 0.05 1.61 0.00 0.87 -0.85 -1.56 113.55 113.67 1sx4 h SER 509 Ca -0.00 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1sx4 h SER 509 Cb 0.53 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1sx4 h SER 509 CO 0.03 0.50 -0.00 1.62 -0.53 0.00 0.00 176.83 178.44 1sx4 h VAL 510 N -0.39 0.01 0.15 2.23 3.04 -1.45 -0.86 116.25 118.98 1sx4 h VAL 510 Ca 0.00 -0.81 -0.30 0.00 -1.01 0.00 0.00 66.70 64.58 1sx4 h VAL 510 Cb 0.48 1.81 0.03 0.00 -2.01 0.00 0.00 31.29 31.59 1sx4 h VAL 510 CO 0.00 0.00 -1.28 0.00 -1.01 0.00 0.00 177.57 175.28 1sx4 h ALA 511 N 2.00 0.00 0.01 3.17 0.00 -1.22 -2.06 119.26 121.16 1sx4 h ALA 511 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1sx4 h ALA 511 Cb 0.81 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sx4 h ALA 511 CO 0.00 0.76 -0.00 0.78 0.00 0.00 0.00 179.25 180.78 1sx4 h GLY 512 N 0.60 -0.01 -0.25 0.00 0.00 -0.93 1.00 103.07 103.48 1sx4 h GLY 512 Ca -0.19 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.37 1sx4 h GLY 512 CO 0.24 -0.00 0.39 1.41 0.00 0.00 0.00 176.54 178.57 1sx4 h LEU 513 N -0.08 0.30 0.00 3.11 4.07 -1.02 -0.66 115.31 121.04 1sx4 h LEU 513 Ca -0.00 0.16 -0.11 0.00 0.08 0.00 0.00 57.88 58.01 1sx4 h LEU 513 Cb 0.07 0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.97 1sx4 h LEU 513 CO 0.00 -0.03 -0.43 0.24 -1.08 0.00 0.00 178.44 177.15 1sx4 h MET 514 N 0.37 0.28 0.00 1.13 2.86 -0.96 -2.67 114.93 115.95 1sx4 h MET 514 Ca 0.57 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1sx4 h MET 514 Cb 1.10 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1sx4 h MET 514 CO -0.55 1.02 0.00 -0.89 1.06 0.00 0.00 176.91 177.55 1sx4 n ILE 515 N -4.36 1.61 -1.17 -1.22 5.41 0.31 -1.56 119.36 118.38 1sx4 n ILE 515 Ca -0.10 0.58 0.09 0.00 1.00 0.00 0.00 62.75 64.33 1sx4 n ILE 515 Cb 0.59 -1.58 0.15 0.00 -0.71 0.00 0.00 39.64 38.09 1sx4 n ILE 515 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1sx4 n THR 516 N -1.79 1.89 -3.28 1.39 -2.24 -0.40 -4.77 114.28 105.07 1sx4 n THR 516 Ca -0.00 -2.36 -0.39 0.00 -2.27 0.00 0.00 64.05 59.03 1sx4 n THR 516 Cb 0.02 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.86 5.14 -0.30 4.28 2.01 -0.60 -4.96 115.64 118.34 1sx4 s THR 517 Ca 0.32 0.92 0.15 0.00 0.31 0.00 0.00 61.69 63.39 1sx4 s THR 517 Cb 0.29 -3.82 -0.21 0.00 0.01 0.00 0.00 72.50 68.77 1sx4 s THR 517 CO 0.01 0.22 0.46 -0.62 -0.69 0.00 0.00 174.62 174.01 1sx4 n GLU 518 N 4.46 1.15 -3.75 4.92 -0.58 -1.26 -4.73 120.64 120.85 1sx4 n GLU 518 Ca -0.06 -0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.47 1sx4 n GLU 518 Cb 0.51 -1.29 -0.08 0.00 -0.57 0.00 0.00 31.44 30.00 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 -1.44 0.06 0.02 0.00 -1.94 -0.60 -5.02 119.30 110.38 1sx4 s MET 520 Ca -0.13 0.42 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 1sx4 s MET 520 Cb -0.05 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1sx4 s MET 520 CO 0.04 -0.41 0.02 0.08 -0.01 0.00 0.00 175.02 174.74 1sx4 s VAL 521 N 2.28 4.27 0.06 -6.03 1.01 -1.26 -1.70 120.40 119.03 1sx4 s VAL 521 Ca 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1sx4 s VAL 521 Cb -0.13 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1sx4 s VAL 521 CO -0.07 0.31 1.17 0.28 0.00 0.00 0.00 175.10 176.80 1sx4 s THR 522 N -1.16 0.00 0.59 3.92 -1.32 -1.03 -4.99 115.64 111.64 1sx4 s THR 522 Ca 0.22 -0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1sx4 s THR 522 Cb -0.12 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.49 1sx4 s THR 522 CO 0.13 0.00 0.92 -1.81 -2.21 0.00 0.00 174.62 171.65 1sx4 s ASP 523 N -3.23 5.80 0.22 8.08 1.01 -1.26 -0.50 116.67 126.79 1sx4 s ASP 523 Ca 0.18 0.91 -0.30 0.00 0.71 0.00 0.00 52.55 54.06 1sx4 s ASP 523 Cb 0.01 -1.96 -0.09 0.00 1.01 0.00 0.00 42.92 41.89 1sx4 s ASP 523 CO -0.00 -0.97 1.33 -0.76 0.21 0.00 0.00 175.17 174.98 1sx4 s LEU 524 N -5.01 4.41 0.00 1.23 1.43 -1.21 -4.48 118.68 115.05 1sx4 s LEU 524 Ca 0.53 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 1sx4 s LEU 524 Cb -0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1sx4 s LEU 524 CO 0.47 -0.55 0.10 -0.81 0.23 0.00 0.00 176.35 175.79