#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 3.59 0.44 0.00 0.00 -1.26 -5.00 121.76 119.54 1sx4 s ALA 3 Ca 0.00 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.27 1sx4 s ALA 3 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1sx4 s ALA 3 CO 0.00 -0.65 0.58 0.15 0.00 0.00 0.00 175.76 175.84 1sx4 s LYS 4 N -0.07 2.73 -0.18 0.00 -0.14 -1.26 -3.26 119.74 117.56 1sx4 s LYS 4 Ca 0.59 -1.32 0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1sx4 s LYS 4 Cb -0.39 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1sx4 s LYS 4 CO 0.39 -0.35 -0.15 0.34 -0.76 0.00 0.00 175.35 174.83 1sx4 s ASP 5 N -4.38 3.08 -0.14 2.83 2.15 0.59 -4.77 116.67 116.03 1sx4 s ASP 5 Ca 0.55 -0.68 -0.02 0.00 0.43 0.00 0.00 52.55 52.83 1sx4 s ASP 5 Cb -0.09 -1.30 -0.02 0.00 -0.30 0.00 0.00 42.92 41.22 1sx4 s ASP 5 CO 0.33 -0.07 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.49 1sx4 s VAL 6 N 1.39 3.48 0.10 1.11 1.01 -1.26 -2.72 120.40 123.50 1sx4 s VAL 6 Ca 0.03 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1sx4 s VAL 6 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1sx4 s VAL 6 CO -0.10 0.51 -0.22 -0.75 0.00 0.00 0.00 175.10 174.53 1sx4 s LYS 7 N 0.34 1.21 0.09 2.72 2.20 -0.43 -4.98 119.74 120.89 1sx4 s LYS 7 Ca -0.08 -1.18 0.08 0.00 -0.36 0.00 0.00 55.97 54.44 1sx4 s LYS 7 Cb -0.15 -1.51 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 1sx4 s LYS 7 CO 0.04 0.36 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.13 1sx4 s PHE 8 N -1.10 1.73 0.00 4.03 0.40 -1.26 -1.46 117.98 120.32 1sx4 s PHE 8 Ca 0.08 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1sx4 s PHE 8 Cb -0.10 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1sx4 s PHE 8 CO 0.04 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.55 1sx4 n GLY 9 N 1.17 1.78 0.16 4.36 0.00 0.14 -2.01 105.19 110.79 1sx4 n GLY 9 Ca -0.19 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1sx4 n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1sx4 h ASN 10 N 0.00 -0.27 -0.26 1.61 -1.24 -1.93 -1.59 115.58 111.90 1sx4 h ASN 10 Ca 0.00 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 56.86 1sx4 h ASN 10 Cb 0.00 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1sx4 h ASN 10 CO 0.00 0.04 -0.22 0.44 -1.29 0.00 0.00 177.43 176.40 1sx4 h ASP 11 N -0.59 -0.76 -0.88 1.15 3.32 -1.80 0.82 116.42 117.69 1sx4 h ASP 11 Ca -0.03 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.25 1sx4 h ASP 11 Cb 0.43 0.32 -0.14 0.00 0.22 0.00 0.00 39.33 40.16 1sx4 h ASP 11 CO 0.05 -0.12 -0.36 0.00 -1.72 0.00 0.00 179.24 177.09 1sx4 n ALA 12 N -2.97 -0.15 -0.03 3.45 0.00 -1.04 -0.61 120.51 119.15 1sx4 n ALA 12 Ca -0.00 0.86 -0.09 0.00 0.00 0.00 0.00 53.44 54.21 1sx4 n ALA 12 Cb 0.11 -0.36 0.07 0.00 0.00 0.00 0.00 19.45 19.27 1sx4 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 h ARG 13 N 0.00 0.65 0.34 0.00 3.08 -0.12 -0.50 114.38 117.82 1sx4 h ARG 13 Ca 0.29 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1sx4 h ARG 13 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1sx4 h ARG 13 CO -0.86 0.95 -0.30 0.28 -1.07 0.00 0.00 179.97 178.97 1sx4 h VAL 14 N 0.53 0.38 -0.57 2.04 2.07 0.14 0.63 116.25 121.47 1sx4 h VAL 14 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 1sx4 h VAL 14 Cb 0.95 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 1sx4 h VAL 14 CO 0.09 0.00 -0.19 0.11 0.02 0.00 0.00 177.57 177.60 1sx4 h LYS 15 N -0.65 -0.05 -0.87 1.57 1.79 -1.27 0.20 116.57 117.29 1sx4 h LYS 15 Ca -0.02 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.60 1sx4 h LYS 15 Cb 0.58 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.17 1sx4 h LYS 15 CO -0.03 -0.03 0.56 0.52 -1.08 0.00 0.00 179.45 179.39 1sx4 h MET 16 N -0.05 0.62 0.05 3.15 2.86 -0.30 -2.38 114.93 118.89 1sx4 h MET 16 Ca 0.27 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1sx4 h MET 16 Cb 0.46 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1sx4 h MET 16 CO -0.61 0.41 -0.02 1.25 1.06 0.00 0.00 176.91 179.00 1sx4 h LEU 17 N 0.64 -0.05 0.09 1.22 5.85 0.17 -0.88 115.31 122.35 1sx4 h LEU 17 Ca 0.44 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sx4 h LEU 17 Cb 0.75 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1sx4 h LEU 17 CO -0.19 0.47 -0.04 0.03 -0.34 0.00 0.00 178.44 178.37 1sx4 h ARG 18 N -0.60 -0.12 -0.77 1.25 3.08 -1.10 0.37 114.38 116.50 1sx4 h ARG 18 Ca -0.01 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1sx4 h ARG 18 Cb 0.53 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.50 1sx4 h ARG 18 CO 0.01 -0.03 -0.56 0.78 -1.07 0.00 0.00 179.97 179.10 1sx4 h GLY 19 N -0.17 -0.82 0.79 0.04 0.00 -1.46 -0.92 103.07 100.54 1sx4 h GLY 19 Ca -0.01 0.74 0.03 0.00 0.00 0.00 0.00 47.33 48.09 1sx4 h GLY 19 CO 0.02 -0.04 0.22 -0.24 0.00 0.00 0.00 176.54 176.51 1sx4 h VAL 20 N -0.15 0.98 -0.41 4.60 3.04 0.10 -2.79 116.25 121.62 1sx4 h VAL 20 Ca 0.14 -0.15 0.08 0.00 -1.01 0.00 0.00 66.70 65.76 1sx4 h VAL 20 Cb 0.49 0.49 -0.08 0.00 -2.01 0.00 0.00 31.29 30.19 1sx4 h VAL 20 CO -0.81 0.08 -0.08 0.78 -1.01 0.00 0.00 177.57 176.53 1sx4 h ASN 21 N 0.45 -0.34 -0.55 3.17 -0.26 0.72 -0.31 115.58 118.47 1sx4 h ASN 21 Ca 0.19 0.12 0.08 0.00 -0.56 0.00 0.00 56.30 56.13 1sx4 h ASN 21 Cb 0.08 0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 37.51 1sx4 h ASN 21 CO -0.12 -0.12 0.19 0.58 -1.06 0.00 0.00 177.43 176.90 1sx4 h VAL 22 N 0.02 0.79 0.01 2.81 2.07 -1.04 1.30 116.25 122.20 1sx4 h VAL 22 Ca 0.20 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1sx4 h VAL 22 Cb 0.30 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1sx4 h VAL 22 CO -0.41 0.07 -0.35 0.25 0.02 0.00 0.00 177.57 177.16 1sx4 h LEU 23 N 0.37 -1.06 -0.67 2.57 6.46 -1.04 -2.34 115.31 119.59 1sx4 h LEU 23 Ca 0.27 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 58.24 1sx4 h LEU 23 Cb 0.32 0.40 -0.07 0.00 -0.73 0.00 0.00 40.66 40.58 1sx4 h LEU 23 CO -0.28 -0.34 0.32 0.00 -0.62 0.00 0.00 178.44 177.52 1sx4 h ALA 24 N -0.82 0.91 0.00 1.25 0.00 -0.71 -0.25 119.26 119.64 1sx4 h ALA 24 Ca 0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sx4 h ALA 24 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1sx4 h ALA 24 CO -0.23 -0.07 -0.35 -0.44 0.00 0.00 0.00 179.25 178.15 1sx4 h ASP 25 N 0.56 0.00 0.55 0.00 3.32 0.18 0.24 116.42 121.27 1sx4 h ASP 25 Ca 0.33 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.12 1sx4 h ASP 25 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1sx4 h ASP 25 CO -0.26 0.35 -1.12 0.00 -1.72 0.00 0.00 179.24 176.49 1sx4 h ALA 26 N 1.65 0.21 0.00 3.45 0.00 -1.28 -3.36 119.26 119.92 1sx4 h ALA 26 Ca -0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 54.91 53.83 1sx4 h ALA 26 Cb 0.66 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1sx4 h ALA 26 CO 0.05 0.93 -1.72 1.55 0.00 0.00 0.00 179.25 180.05 1sx4 n VAL 27 N -3.60 1.41 0.24 0.00 3.14 -0.12 -4.13 118.33 115.26 1sx4 n VAL 27 Ca -0.07 -0.77 0.12 0.00 -2.96 0.00 0.00 64.34 60.66 1sx4 n VAL 27 Cb 0.95 -0.84 0.56 0.00 -1.06 0.00 0.00 33.84 33.45 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 -0.72 -3.17 116.57 116.23 1sx4 h LYS 28 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1sx4 h LYS 28 Cb 1.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 1sx4 h LYS 28 CO 0.06 0.15 0.00 1.33 -2.00 0.00 0.00 179.45 178.99 1sx4 n VAL 29 N -3.34 0.22 -1.06 0.07 0.24 -1.26 -2.31 118.33 110.89 1sx4 n VAL 29 Ca -0.00 0.06 0.06 0.00 -2.04 0.00 0.00 64.34 62.41 1sx4 n VAL 29 Cb 0.37 -0.74 0.26 0.00 -1.47 0.00 0.00 33.84 32.26 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 -1.15 2.37 -0.03 3.34 -2.24 -1.20 -1.04 114.28 114.32 1sx4 n THR 30 Ca 0.12 -1.99 -0.17 0.00 -2.27 0.00 0.00 64.05 59.74 1sx4 n THR 30 Cb 0.11 -0.27 -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 1.74 0.18 0.00 3.22 5.85 -1.70 -3.42 115.31 121.18 1sx4 h LEU 31 Ca 0.05 -0.93 -0.16 0.00 0.84 0.00 0.00 57.88 57.68 1sx4 h LEU 31 Cb 1.53 -0.06 0.09 0.00 0.37 0.00 0.00 40.66 42.60 1sx4 h LEU 31 CO 0.28 1.22 -0.08 0.61 -0.34 0.00 0.00 178.44 180.13 1sx4 n GLY 32 N 1.62 -1.83 0.00 3.75 0.00 -1.26 -4.82 105.19 102.65 1sx4 n GLY 32 Ca -0.15 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.09 0.31 -2.58 1.61 -0.04 -1.26 -4.03 135.00 127.92 1sx4 n PRO 33 Ca 0.06 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1sx4 n PRO 33 Cb 0.26 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.18 2.08 -1.57 0.54 5.02 -1.26 -5.01 118.16 116.78 1sx4 n LYS 34 Ca 0.09 -3.72 -0.29 0.00 -2.02 0.00 0.00 58.31 52.37 1sx4 n LYS 34 Cb 0.09 -1.67 0.15 0.00 -0.02 0.00 0.00 35.03 33.59 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 -3.38 1.61 0.54 0.72 0.00 -1.26 -3.79 107.32 101.76 1sx4 s GLY 35 Ca 0.35 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.47 1sx4 s GLY 35 CO -0.04 -0.06 0.67 0.50 0.00 0.00 0.00 173.10 174.17 1sx4 s ARG 36 N -5.41 2.39 0.08 2.90 1.81 -0.21 -4.96 118.95 115.56 1sx4 s ARG 36 Ca 0.66 -1.64 -0.06 0.00 -1.72 0.00 0.00 55.73 52.97 1sx4 s ARG 36 Cb -0.12 -2.56 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 1sx4 s ARG 36 CO 0.53 -0.69 0.34 -0.80 -0.68 0.00 0.00 175.30 174.00 1sx4 s ASN 37 N -4.52 6.52 -0.06 0.23 0.01 -1.26 -4.55 114.94 111.31 1sx4 s ASN 37 Ca 0.55 0.60 0.05 0.00 -0.71 0.00 0.00 52.86 53.35 1sx4 s ASN 37 Cb -0.06 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1sx4 s ASN 37 CO 0.34 0.15 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.19 1sx4 s VAL 38 N -1.48 2.48 -0.20 1.60 1.01 0.64 -4.96 120.40 119.49 1sx4 s VAL 38 Ca 0.35 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1sx4 s VAL 38 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1sx4 s VAL 38 CO 0.21 0.57 0.10 -0.69 0.00 0.00 0.00 175.10 175.28 1sx4 s VAL 39 N -0.30 5.03 -0.32 2.92 1.01 -1.26 -1.42 120.40 126.07 1sx4 s VAL 39 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1sx4 s VAL 39 Cb -0.13 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.06 1sx4 s VAL 39 CO 0.03 0.43 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 1sx4 s LEU 40 N 0.51 3.86 0.68 3.92 1.02 0.87 -4.95 118.68 124.60 1sx4 s LEU 40 Ca 0.05 -1.89 -0.17 0.00 0.02 0.00 0.00 54.13 52.14 1sx4 s LEU 40 Cb -0.12 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.70 1sx4 s LEU 40 CO 0.00 -0.36 1.28 -0.62 0.02 0.00 0.00 176.35 176.67 1sx4 s ASP 41 N 1.13 4.36 -0.08 2.29 2.15 -1.26 -1.14 116.67 124.11 1sx4 s ASP 41 Ca 0.08 2.57 -0.04 0.00 0.43 0.00 0.00 52.55 55.59 1sx4 s ASP 41 Cb -0.19 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.87 1sx4 s ASP 41 CO -0.12 -2.17 0.18 -0.75 -0.17 0.00 0.00 175.17 172.14 1sx4 s LYS 42 N -3.55 0.09 0.00 4.34 2.20 -1.26 -4.82 119.74 116.74 1sx4 s LYS 42 Ca 0.81 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1sx4 s LYS 42 Cb -0.36 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1sx4 s LYS 42 CO 0.42 -0.23 0.57 0.43 -0.36 0.00 0.00 175.35 176.18 1sx4 n SER 43 N 4.71 0.00 -4.89 1.43 7.64 -1.26 -4.37 113.62 116.88 1sx4 n SER 43 Ca -0.17 0.57 -0.32 0.00 1.01 0.00 0.00 58.87 59.95 1sx4 n SER 43 Cb 0.51 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.84 3.49 0.00 1.43 0.40 -1.26 -4.97 117.98 115.23 1sx4 s PHE 44 Ca 0.00 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1sx4 s PHE 44 Cb 0.00 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.45 1sx4 s PHE 44 CO 0.00 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.76 1sx4 n GLY 45 N 0.26 -1.89 3.87 4.36 0.00 -1.26 -4.97 105.19 105.55 1sx4 n GLY 45 Ca -0.03 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.24 3.51 1.24 4.61 0.00 -1.26 -4.83 121.76 123.80 1sx4 s ALA 46 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1sx4 s ALA 46 Cb 0.00 -2.50 0.31 0.00 0.00 0.00 0.00 23.12 20.93 1sx4 s ALA 46 CO 0.00 0.43 1.00 -1.25 0.00 0.00 0.00 175.76 175.94 1sx4 s PRO 47 N -2.96 -1.52 -0.18 0.00 0.04 -1.26 -4.73 135.00 124.39 1sx4 s PRO 47 Ca 0.49 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 1sx4 s PRO 47 Cb -0.11 -1.50 -0.02 0.00 0.04 0.00 0.00 34.50 32.91 1sx4 s PRO 47 CO 0.22 -4.06 -0.02 0.99 0.04 0.00 0.00 177.00 174.16 1sx4 s THR 48 N -2.43 3.86 -0.20 1.26 2.01 -0.30 -4.94 115.64 114.91 1sx4 s THR 48 Ca 0.69 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 1sx4 s THR 48 Cb -0.22 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1sx4 s THR 48 CO 0.63 0.45 0.22 -0.63 -0.69 0.00 0.00 174.62 174.60 1sx4 s ILE 49 N 0.80 5.34 0.07 1.82 1.01 -1.26 -0.09 121.20 128.89 1sx4 s ILE 49 Ca -0.00 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1sx4 s ILE 49 Cb -0.14 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1sx4 s ILE 49 CO 0.02 0.37 0.25 0.28 0.00 0.00 0.00 174.94 175.86 1sx4 s THR 50 N 0.70 0.11 -0.03 2.92 -1.32 -0.50 -4.97 115.64 112.54 1sx4 s THR 50 Ca 0.12 -0.91 0.05 0.00 -1.21 0.00 0.00 61.69 59.74 1sx4 s THR 50 Cb -0.13 -1.13 0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1sx4 s THR 50 CO 0.03 -0.50 0.99 0.29 -2.21 0.00 0.00 174.62 173.21 1sx4 n LYS 51 N 0.22 2.09 -3.56 7.08 5.02 -1.26 -0.26 118.16 127.48 1sx4 n LYS 51 Ca -0.17 -1.65 -0.41 0.00 -2.02 0.00 0.00 58.31 54.06 1sx4 n LYS 51 Cb 0.61 -1.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.47 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 -1.39 5.74 0.60 4.39 2.15 -1.26 -4.75 116.67 122.14 1sx4 s ASP 52 Ca 0.08 -1.44 0.28 0.00 0.43 0.00 0.00 52.55 51.91 1sx4 s ASP 52 Cb 0.07 -2.03 1.39 0.00 -0.30 0.00 0.00 42.92 42.06 1sx4 s ASP 52 CO 0.01 -0.55 1.79 1.23 -0.17 0.00 0.00 175.17 177.48 1sx4 h GLY 53 N 8.47 0.00 0.78 2.66 0.00 -1.83 -2.68 103.07 110.48 1sx4 h GLY 53 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1sx4 h GLY 53 CO 0.77 0.00 -0.36 -2.08 0.00 0.00 0.00 176.54 174.87 1sx4 h VAL 54 N 0.00 1.39 0.02 4.60 2.07 -1.93 -0.09 116.25 122.31 1sx4 h VAL 54 Ca 0.25 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1sx4 h VAL 54 Cb 1.45 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 1sx4 h VAL 54 CO -0.00 0.50 -0.34 0.28 0.02 0.00 0.00 177.57 178.02 1sx4 h SER 55 N 0.00 -1.02 0.10 0.57 0.02 -1.92 -2.03 113.55 109.27 1sx4 h SER 55 Ca -0.02 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1sx4 h SER 55 Cb 0.99 0.40 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1sx4 h SER 55 CO 0.08 -0.41 -0.30 0.58 -1.14 0.00 0.00 176.83 175.64 1sx4 h VAL 56 N -0.51 0.00 -0.85 2.27 2.07 -1.39 -2.94 116.25 114.90 1sx4 h VAL 56 Ca 0.05 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.78 1sx4 h VAL 56 Cb 0.59 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.20 1sx4 h VAL 56 CO -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.31 1sx4 h ALA 57 N -1.01 0.88 -0.90 1.67 0.00 -1.06 -0.23 119.26 118.61 1sx4 h ALA 57 Ca -0.01 0.29 0.26 0.00 0.00 0.00 0.00 54.91 55.45 1sx4 h ALA 57 Cb 0.45 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1sx4 h ALA 57 CO -0.15 -0.46 0.64 -0.09 0.00 0.00 0.00 179.25 179.19 1sx4 h ARG 58 N 0.06 0.02 0.00 0.00 2.43 -1.17 0.32 114.38 116.04 1sx4 h ARG 58 Ca 0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1sx4 h ARG 58 Cb 0.87 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1sx4 h ARG 58 CO -0.79 0.01 -0.73 0.93 -1.51 0.00 0.00 179.97 177.89 1sx4 h GLU 59 N 0.02 0.00 -6.31 0.20 3.07 -1.06 -3.46 114.58 107.05 1sx4 h GLU 59 Ca 0.43 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.72 1sx4 h GLU 59 Cb 1.69 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.55 1sx4 h GLU 59 CO -0.01 0.00 0.97 0.42 -1.40 0.00 0.00 179.01 178.98 1sx4 s ILE 60 N -3.31 4.14 -0.06 3.13 -1.09 0.11 -4.97 121.20 119.16 1sx4 s ILE 60 Ca 0.02 1.31 -0.03 0.00 -2.23 0.00 0.00 60.65 59.72 1sx4 s ILE 60 Cb 0.09 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1sx4 s ILE 60 CO 0.75 -0.40 0.14 -0.70 -1.23 0.00 0.00 174.94 173.51 1sx4 s GLU 61 N 4.07 0.09 0.39 2.79 2.12 -1.26 -4.91 118.70 121.99 1sx4 s GLU 61 Ca 0.57 0.35 0.08 0.00 0.36 0.00 0.00 54.97 56.33 1sx4 s GLU 61 Cb -0.18 -0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 1sx4 s GLU 61 CO 0.22 -0.16 0.45 -0.51 -0.54 0.00 0.00 175.26 174.72 1sx4 s LEU 62 N 1.11 3.61 -0.04 2.70 1.43 -1.26 -5.02 118.68 121.20 1sx4 s LEU 62 Ca -0.09 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1sx4 s LEU 62 Cb -0.11 -2.41 -0.29 0.00 0.03 0.00 0.00 46.19 43.41 1sx4 s LEU 62 CO -0.05 -0.62 0.94 -0.08 0.23 0.00 0.00 176.35 176.77 1sx4 h GLU 63 N 0.89 0.31 -6.16 1.70 4.81 -2.00 -3.43 114.58 110.71 1sx4 h GLU 63 Ca -0.42 -0.47 -0.57 0.00 -0.13 0.00 0.00 59.36 57.77 1sx4 h GLU 63 Cb 1.27 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1sx4 h GLU 63 CO 0.52 1.20 1.34 0.34 -0.73 0.00 0.00 179.01 181.68 1sx4 s ASP 64 N -6.88 5.88 1.32 1.04 -1.08 -1.26 -4.94 116.67 110.75 1sx4 s ASP 64 Ca -0.14 1.88 -0.19 0.00 -0.52 0.00 0.00 52.55 53.59 1sx4 s ASP 64 Cb 0.01 -2.52 0.29 0.00 -1.46 0.00 0.00 42.92 39.24 1sx4 s ASP 64 CO 0.82 -1.62 0.79 0.29 0.52 0.00 0.00 175.17 175.97 1sx4 n LYS 65 N 8.27 -3.68 0.00 4.34 5.02 -1.26 -0.47 118.16 130.38 1sx4 n LYS 65 Ca 0.25 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 1sx4 n LYS 65 Cb 0.45 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1sx4 n LYS 65 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1sx4 n PHE 66 N -4.94 0.00 -0.24 2.13 3.72 -1.26 -3.75 117.46 113.12 1sx4 n PHE 66 Ca 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1sx4 n PHE 66 Cb 0.48 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.03 -0.36 -1.08 5.08 -1.63 0.41 114.58 117.02 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 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sx4 h GLU 67 CO 0.00 0.02 0.18 -0.97 -1.00 0.00 0.00 179.01 177.24 1sx4 h ASN 68 N 0.03 0.47 -0.80 1.42 -1.24 -0.86 -1.88 115.58 112.72 1sx4 h ASN 68 Ca 0.35 -0.12 0.10 0.00 0.71 0.00 0.00 56.30 57.35 1sx4 h ASN 68 Cb 0.57 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.44 1sx4 h ASN 68 CO -0.70 0.45 0.52 0.24 -1.29 0.00 0.00 177.43 176.65 1sx4 h MET 69 N 0.45 0.70 0.71 6.67 2.86 -1.34 0.28 114.93 125.26 1sx4 h MET 69 Ca 0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1sx4 h MET 69 Cb 0.10 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1sx4 h MET 69 CO -0.02 0.46 -0.45 0.78 1.06 0.00 0.00 176.91 178.75 1sx4 h GLY 70 N 0.72 -1.25 0.42 8.32 0.00 0.36 -1.14 103.07 110.50 1sx4 h GLY 70 Ca 0.37 0.51 0.08 0.00 0.00 0.00 0.00 47.33 48.30 1sx4 h GLY 70 CO -0.14 -0.42 0.18 0.00 0.00 0.00 0.00 176.54 176.16 1sx4 h ALA 71 N -1.24 0.68 -0.39 3.60 0.00 -0.39 -2.07 119.26 119.44 1sx4 h ALA 71 Ca -0.10 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 71 Cb 0.88 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1sx4 h ALA 71 CO 0.09 -0.23 0.03 1.96 0.00 0.00 0.00 179.25 181.10 1sx4 h GLN 72 N 0.35 0.60 -0.19 0.00 1.08 -0.20 -2.03 115.11 114.73 1sx4 h GLN 72 Ca 0.27 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1sx4 h GLN 72 Cb 0.33 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1sx4 h GLN 72 CO -0.29 0.61 0.04 0.52 -0.95 0.00 0.00 178.83 178.75 1sx4 h MET 73 N 0.58 0.32 0.29 1.46 2.86 -0.49 0.22 114.93 120.16 1sx4 h MET 73 Ca 0.13 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1sx4 h MET 73 Cb 0.33 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1sx4 h MET 73 CO 0.01 0.46 -0.16 0.28 1.06 0.00 0.00 176.91 178.56 1sx4 h VAL 74 N 0.12 0.66 -0.89 -2.22 2.07 -1.27 -1.47 116.25 113.24 1sx4 h VAL 74 Ca 0.06 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.82 1sx4 h VAL 74 Cb 0.30 0.66 -0.15 0.00 -1.52 0.00 0.00 31.29 30.58 1sx4 h VAL 74 CO 0.00 0.00 0.21 0.11 0.02 0.00 0.00 177.57 177.91 1sx4 h LYS 75 N -0.43 0.16 -0.36 1.57 1.57 -1.30 -0.86 116.57 116.93 1sx4 h LYS 75 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1sx4 h LYS 75 Cb 0.35 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1sx4 h LYS 75 CO 0.04 0.11 0.16 1.49 -0.57 0.00 0.00 179.45 180.68 1sx4 h GLU 76 N 0.17 0.53 0.15 3.15 4.81 0.10 -1.62 114.58 121.86 1sx4 h GLU 76 Ca 0.56 -0.09 -0.29 0.00 -0.13 0.00 0.00 59.36 59.42 1sx4 h GLU 76 Cb 1.15 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.45 1sx4 h GLU 76 CO -0.69 0.49 -1.30 -0.24 -0.73 0.00 0.00 179.01 176.54 1sx4 h VAL 77 N 0.44 1.44 -0.42 0.32 3.04 -0.85 -2.61 116.25 117.61 1sx4 h VAL 77 Ca 0.12 -3.00 -0.05 0.00 -1.01 0.00 0.00 66.70 62.76 1sx4 h VAL 77 Cb 0.15 2.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 1sx4 h VAL 77 CO -0.01 0.88 0.03 0.00 -1.01 0.00 0.00 177.57 177.45 1sx4 h ALA 78 N 0.51 1.28 -0.20 3.17 0.00 -1.10 -1.29 119.26 121.62 1sx4 h ALA 78 Ca -0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1sx4 h ALA 78 Cb 2.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1sx4 h ALA 78 CO 0.21 0.49 -0.30 1.03 0.00 0.00 0.00 179.25 180.68 1sx4 h SER 79 N 0.62 0.41 -0.83 0.00 0.87 -1.04 -2.10 113.55 111.48 1sx4 h SER 79 Ca 0.13 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1sx4 h SER 79 Cb 0.35 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1sx4 h SER 79 CO 0.01 0.70 0.36 0.11 -0.53 0.00 0.00 176.83 177.47 1sx4 h LYS 80 N 0.35 1.22 -0.05 2.24 1.57 -1.06 0.59 116.57 121.43 1sx4 h LYS 80 Ca 0.05 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1sx4 h LYS 80 Cb 0.71 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1sx4 h LYS 80 CO 0.05 0.96 -0.43 0.00 -0.57 0.00 0.00 179.45 179.47 1sx4 h ALA 81 N 1.19 -0.66 -0.85 3.86 0.00 -0.58 0.22 119.26 122.43 1sx4 h ALA 81 Ca 0.28 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1sx4 h ALA 81 Cb 0.18 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1sx4 h ALA 81 CO -0.03 -0.96 0.47 -0.97 0.00 0.00 0.00 179.25 177.76 1sx4 h ASN 82 N -0.55 0.62 -0.51 0.00 -0.73 -1.31 0.43 115.58 113.53 1sx4 h ASN 82 Ca 0.05 0.07 0.10 0.00 1.87 0.00 0.00 56.30 58.40 1sx4 h ASN 82 Cb 0.65 -0.04 -0.09 0.00 0.27 0.00 0.00 38.32 39.11 1sx4 h ASN 82 CO -0.35 0.31 -0.02 0.44 -0.37 0.00 0.00 177.43 177.44 1sx4 h ASP 83 N 0.72 -0.26 0.78 1.15 3.32 0.29 -1.79 116.42 120.64 1sx4 h ASP 83 Ca 0.44 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1sx4 h ASP 83 Cb 0.52 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1sx4 h ASP 83 CO -0.31 -0.09 -0.53 0.00 -1.72 0.00 0.00 179.24 176.59 1sx4 n ALA 84 N -2.71 3.05 0.00 3.45 0.00 0.47 -4.54 120.51 120.23 1sx4 n ALA 84 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1sx4 n ALA 84 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.71 1.92 0.00 0.00 0.00 -0.21 -5.00 120.51 115.51 1sx4 n ALA 85 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sx4 n ALA 85 Cb 0.40 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1sx4 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 86 N 2.87 0.99 3.57 0.00 0.00 -0.69 -4.70 105.19 107.23 1sx4 n GLY 86 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1sx4 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sx4 s ASP 87 N -1.61 -0.01 0.00 1.61 -1.08 -1.26 -4.92 116.67 109.39 1sx4 s ASP 87 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1sx4 s ASP 87 Cb 0.00 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.49 1sx4 s ASP 87 CO 0.00 -0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.25 1sx4 n GLY 88 N -0.42 1.56 0.19 2.66 0.00 -1.26 -3.88 105.19 104.04 1sx4 n GLY 88 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.72 -0.24 -0.05 2.61 -1.04 -1.26 0.19 114.28 113.76 1sx4 n THR 89 Ca 0.00 1.20 -0.14 0.00 -2.04 0.00 0.00 64.05 63.07 1sx4 n THR 89 Cb 0.00 -1.63 -0.07 0.00 -1.82 0.00 0.00 70.33 66.81 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 -0.11 12.58 2.02 -1.91 -2.94 112.91 123.91 1sx4 h THR 90 Ca 0.22 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1sx4 h THR 90 Cb 0.35 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1sx4 h THR 90 CO -0.53 0.44 0.05 0.74 0.37 0.00 0.00 175.52 176.60 1sx4 h THR 91 N 0.04 1.12 -0.76 3.16 2.02 0.16 -0.54 112.91 118.11 1sx4 h THR 91 Ca 0.01 -0.35 0.17 0.00 0.77 0.00 0.00 66.41 67.01 1sx4 h THR 91 Cb 0.81 1.15 -0.14 0.00 -1.74 0.00 0.00 68.15 68.23 1sx4 h THR 91 CO 0.05 0.11 -0.07 0.00 0.37 0.00 0.00 175.52 175.99 1sx4 h ALA 92 N 0.92 0.69 -0.51 6.16 0.00 0.95 -1.30 119.26 126.16 1sx4 h ALA 92 Ca 0.04 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1sx4 h ALA 92 Cb 0.13 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1sx4 h ALA 92 CO -0.00 -0.43 0.33 1.15 0.00 0.00 0.00 179.25 180.30 1sx4 h THR 93 N 0.06 1.12 -0.82 0.00 2.02 -1.01 0.19 112.91 114.47 1sx4 h THR 93 Ca 0.40 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 1sx4 h THR 93 Cb 0.68 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1sx4 h THR 93 CO -0.72 0.12 0.37 0.58 0.37 0.00 0.00 175.52 176.25 1sx4 h VAL 94 N 0.68 1.26 -0.06 3.16 2.07 -0.09 -1.37 116.25 121.90 1sx4 h VAL 94 Ca 0.19 -0.76 -0.22 0.00 0.82 0.00 0.00 66.70 66.73 1sx4 h VAL 94 Cb -0.06 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1sx4 h VAL 94 CO -0.05 0.32 -0.83 -0.07 0.02 0.00 0.00 177.57 176.96 1sx4 h LEU 95 N 1.17 0.83 -0.52 2.57 3.38 -1.10 -2.69 115.31 118.96 1sx4 h LEU 95 Ca 0.28 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.65 1sx4 h LEU 95 Cb 0.15 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1sx4 h LEU 95 CO -0.03 1.41 -0.13 0.00 0.09 0.00 0.00 178.44 179.78 1sx4 h ALA 96 N 0.44 0.34 -0.30 1.53 0.00 -0.40 0.04 119.26 120.91 1sx4 h ALA 96 Ca -0.09 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sx4 h ALA 96 Cb 1.48 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1sx4 h ALA 96 CO 0.17 -0.44 0.10 0.37 0.00 0.00 0.00 179.25 179.45 1sx4 h GLN 97 N -0.00 0.23 -0.34 0.00 4.15 -1.23 -0.70 115.11 117.22 1sx4 h GLN 97 Ca 0.25 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.72 1sx4 h GLN 97 Cb 0.38 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 1sx4 h GLN 97 CO -0.54 0.15 0.01 0.00 -1.93 0.00 0.00 178.83 176.53 1sx4 h ALA 98 N 1.19 0.32 0.29 3.38 0.00 -0.69 0.43 119.26 124.18 1sx4 h ALA 98 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sx4 h ALA 98 Cb 0.10 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sx4 h ALA 98 CO -0.14 -0.39 -0.14 0.82 0.00 0.00 0.00 179.25 179.40 1sx4 h ILE 99 N 0.11 0.74 -0.87 0.00 2.04 -1.02 -3.00 117.51 115.51 1sx4 h ILE 99 Ca 0.17 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1sx4 h ILE 99 Cb 0.22 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1sx4 h ILE 99 CO -0.27 0.10 0.57 0.40 0.00 0.00 0.00 178.15 178.94 1sx4 h ILE 100 N -0.65 1.04 0.27 -0.67 2.04 -0.21 0.29 117.51 119.62 1sx4 h ILE 100 Ca -0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1sx4 h ILE 100 Cb 0.46 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1sx4 h ILE 100 CO 0.07 0.17 -0.13 0.74 0.00 0.00 0.00 178.15 179.00 1sx4 h THR 101 N 0.95 0.77 0.18 -0.27 2.02 -0.11 -1.85 112.91 114.59 1sx4 h THR 101 Ca 0.38 -0.26 -0.31 0.00 0.77 0.00 0.00 66.41 66.99 1sx4 h THR 101 Cb 0.25 0.91 0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1sx4 h THR 101 CO -0.14 0.06 -1.35 -0.33 0.37 0.00 0.00 175.52 174.12 1sx4 h GLU 102 N -0.50 0.49 -0.59 6.66 4.39 -1.18 -2.10 114.58 121.76 1sx4 h GLU 102 Ca -0.04 -0.77 -0.04 0.00 0.34 0.00 0.00 59.36 58.85 1sx4 h GLU 102 Cb 0.37 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1sx4 h GLU 102 CO 0.06 1.36 0.21 0.78 -1.16 0.00 0.00 179.01 180.26 1sx4 h GLY 103 N 0.60 0.94 1.89 -3.84 0.00 -0.50 -2.15 103.07 100.00 1sx4 h GLY 103 Ca -0.20 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 1sx4 h GLY 103 CO 0.25 0.47 -0.54 -2.00 0.00 0.00 0.00 176.54 174.72 1sx4 h LEU 104 N 0.85 0.00 0.04 3.11 5.85 -1.28 -1.95 115.31 121.93 1sx4 h LEU 104 Ca 0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1sx4 h LEU 104 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1sx4 h LEU 104 CO -0.01 0.44 -0.02 0.11 -0.34 0.00 0.00 178.44 178.62 1sx4 h LYS 105 N 0.00 -0.05 -0.58 1.25 1.57 -1.18 -3.06 116.57 114.52 1sx4 h LYS 105 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1sx4 h LYS 105 Cb 1.35 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 1sx4 h LYS 105 CO 0.05 0.27 -0.07 0.00 -0.57 0.00 0.00 179.45 179.13 1sx4 h ALA 106 N 0.57 0.47 -0.59 3.86 0.00 -0.89 -0.79 119.26 121.88 1sx4 h ALA 106 Ca -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 106 Cb 0.34 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1sx4 h ALA 106 CO 0.01 -0.42 0.26 -0.39 0.00 0.00 0.00 179.25 178.72 1sx4 h VAL 107 N 0.05 1.20 0.00 0.00 -1.51 -1.42 0.17 116.25 114.74 1sx4 h VAL 107 Ca 0.29 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1sx4 h VAL 107 Cb 0.45 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1sx4 h VAL 107 CO -0.55 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 176.04 1sx4 h ALA 108 N 1.45 1.00 0.00 5.19 0.00 -1.09 0.13 119.26 125.94 1sx4 h ALA 108 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sx4 h ALA 108 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sx4 h ALA 108 CO -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 179.25 178.88 1sx4 n ALA 109 N -1.95 2.78 -0.59 0.00 0.00 0.54 -4.92 120.51 116.37 1sx4 n ALA 109 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sx4 n ALA 109 Cb 0.39 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.39 1.36 3.98 0.00 0.00 0.44 -5.09 105.19 107.26 1sx4 n GLY 110 Ca 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.65 2.24 -0.40 1.61 -1.94 -0.98 -5.04 119.30 113.14 1sx4 s MET 111 Ca 0.00 -0.89 -0.23 0.00 -1.71 0.00 0.00 55.69 52.86 1sx4 s MET 111 Cb 0.00 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.43 1sx4 s MET 111 CO 0.00 -0.98 0.77 1.21 -0.01 0.00 0.00 175.02 176.01 1sx4 s ASN 112 N -4.54 6.48 0.39 3.03 3.84 -1.26 -4.55 114.94 118.33 1sx4 s ASN 112 Ca 0.60 0.13 0.16 0.00 0.21 0.00 0.00 52.86 53.97 1sx4 s ASN 112 Cb -0.09 -2.39 1.04 0.00 -0.55 0.00 0.00 41.25 39.27 1sx4 s ASN 112 CO 0.41 -0.80 1.80 -0.65 -2.79 0.00 0.00 177.10 175.06 1sx4 h PRO 113 N 8.70 0.44 0.01 0.43 0.11 -1.93 -2.19 132.00 137.58 1sx4 h PRO 113 Ca -0.25 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.63 1sx4 h PRO 113 Cb 1.09 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1sx4 h PRO 113 CO 0.93 0.29 -0.92 1.98 -0.21 0.00 0.00 178.00 180.07 1sx4 h MET 114 N 0.46 0.22 -0.19 1.05 4.05 -1.92 -1.74 114.93 116.84 1sx4 h MET 114 Ca 0.55 -0.25 -0.12 0.00 -0.28 0.00 0.00 59.70 59.60 1sx4 h MET 114 Cb 1.29 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1sx4 h MET 114 CO -0.26 0.99 -0.39 -0.44 0.23 0.00 0.00 176.91 177.04 1sx4 h ASP 115 N 0.11 0.46 -0.17 1.39 3.32 -1.86 -2.47 116.42 117.21 1sx4 h ASP 115 Ca -0.05 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1sx4 h ASP 115 Cb 1.56 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1sx4 h ASP 115 CO 0.14 0.81 0.02 -0.07 -1.72 0.00 0.00 179.24 178.42 1sx4 h LEU 116 N 0.37 0.27 -0.11 1.55 3.38 -0.89 -0.61 115.31 119.27 1sx4 h LEU 116 Ca 0.03 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1sx4 h LEU 116 Cb 0.85 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1sx4 h LEU 116 CO 0.07 0.48 -0.16 0.50 0.09 0.00 0.00 178.44 179.42 1sx4 h LYS 117 N 0.06 -0.20 -0.43 1.13 3.64 -1.38 -2.14 116.57 117.25 1sx4 h LYS 117 Ca 0.05 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1sx4 h LYS 117 Cb 0.33 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1sx4 h LYS 117 CO 0.00 -0.13 -0.50 -0.09 -2.27 0.00 0.00 179.45 176.46 1sx4 h ARG 118 N -0.20 -0.34 -0.26 1.90 2.43 -0.85 0.12 114.38 117.18 1sx4 h ARG 118 Ca 0.09 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1sx4 h ARG 118 Cb 0.33 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1sx4 h ARG 118 CO -0.23 -0.23 -0.20 0.78 -1.51 0.00 0.00 179.97 178.58 1sx4 h GLY 119 N -0.36 -0.05 0.07 2.80 0.00 -1.00 0.67 103.07 105.21 1sx4 h GLY 119 Ca 0.11 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.76 1sx4 h GLY 119 CO -0.60 -0.18 -0.19 -2.22 0.00 0.00 0.00 176.54 173.35 1sx4 h ILE 120 N -0.19 0.44 0.00 2.60 2.04 -0.94 -1.84 117.51 119.62 1sx4 h ILE 120 Ca 0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1sx4 h ILE 120 Cb 0.41 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1sx4 h ILE 120 CO -0.37 0.00 -0.24 0.44 0.00 0.00 0.00 178.15 177.98 1sx4 h ASP 121 N -0.13 0.00 0.54 1.72 3.32 0.29 -0.76 116.42 121.41 1sx4 h ASP 121 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1sx4 h ASP 121 Cb 0.41 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1sx4 h ASP 121 CO -0.45 0.24 -0.26 0.50 -1.72 0.00 0.00 179.24 177.56 1sx4 h LYS 122 N 0.00 -0.70 -0.99 3.56 3.64 -0.60 -1.67 116.57 119.81 1sx4 h LYS 122 Ca -0.00 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.65 1sx4 h LYS 122 Cb 0.44 0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.23 1sx4 h LYS 122 CO 0.03 -0.42 -0.13 0.00 -2.27 0.00 0.00 179.45 176.66 1sx4 h ALA 123 N -1.01 0.87 0.21 5.00 0.00 -1.14 0.97 119.26 124.16 1sx4 h ALA 123 Ca -0.07 0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sx4 h ALA 123 Cb 0.60 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sx4 h ALA 123 CO 0.12 -0.46 -0.10 0.28 0.00 0.00 0.00 179.25 179.09 1sx4 h VAL 124 N 0.00 0.83 -0.78 0.00 2.07 -1.15 0.59 116.25 117.81 1sx4 h VAL 124 Ca 0.53 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 68.00 1sx4 h VAL 124 Cb 0.94 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 31.56 1sx4 h VAL 124 CO -0.98 0.05 0.21 0.74 0.02 0.00 0.00 177.57 177.62 1sx4 h THR 125 N -0.39 0.49 -0.11 2.57 2.02 -0.20 0.35 112.91 117.63 1sx4 h THR 125 Ca -0.03 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1sx4 h THR 125 Cb 0.30 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1sx4 h THR 125 CO 0.05 0.05 -0.24 0.00 0.37 0.00 0.00 175.52 175.75 1sx4 h ALA 126 N 1.64 0.18 -0.21 6.16 0.00 -0.70 -2.71 119.26 123.63 1sx4 h ALA 126 Ca 0.45 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 126 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sx4 h ALA 126 CO -0.53 0.16 -0.42 0.00 0.00 0.00 0.00 179.25 178.46 1sx4 h ALA 127 N 0.52 0.88 -0.39 0.00 0.00 -0.24 -1.75 119.26 118.28 1sx4 h ALA 127 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1sx4 h ALA 127 Cb 0.84 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 127 CO 0.05 0.64 0.10 0.28 0.00 0.00 0.00 179.25 180.32 1sx4 h VAL 128 N 0.41 0.83 -0.21 0.00 2.07 -0.27 0.65 116.25 119.74 1sx4 h VAL 128 Ca 0.03 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1sx4 h VAL 128 Cb 0.91 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1sx4 h VAL 128 CO 0.08 0.04 -0.23 -0.08 0.02 0.00 0.00 177.57 177.40 1sx4 h GLU 129 N 0.23 -0.25 -0.64 1.57 4.57 -1.31 -2.28 114.58 116.48 1sx4 h GLU 129 Ca 0.18 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.50 1sx4 h GLU 129 Cb 0.20 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.76 1sx4 h GLU 129 CO -0.22 -0.17 0.17 0.93 -1.18 0.00 0.00 179.01 178.54 1sx4 h GLU 130 N -0.26 0.29 -0.87 1.92 4.39 -0.33 0.32 114.58 120.04 1sx4 h GLU 130 Ca 0.12 -0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.95 1sx4 h GLU 130 Cb 0.45 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 1sx4 h GLU 130 CO -0.36 0.19 0.46 -0.07 -1.16 0.00 0.00 179.01 178.08 1sx4 h LEU 131 N 0.30 0.58 -1.39 1.33 4.07 -0.68 0.11 115.31 119.64 1sx4 h LEU 131 Ca 0.34 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1sx4 h LEU 131 Cb 0.50 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1sx4 h LEU 131 CO -0.40 0.24 0.38 0.11 -1.08 0.00 0.00 178.44 177.69 1sx4 h LYS 132 N 0.66 0.79 -0.16 1.13 1.57 0.18 0.93 116.57 121.68 1sx4 h LYS 132 Ca 0.47 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 59.00 1sx4 h LYS 132 Cb 0.66 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1sx4 h LYS 132 CO -0.36 0.54 -0.67 0.00 -0.57 0.00 0.00 179.45 178.39 1sx4 h ALA 133 N 1.61 0.30 -0.30 3.86 0.00 -0.62 -3.26 119.26 120.85 1sx4 h ALA 133 Ca 0.22 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1sx4 h ALA 133 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sx4 h ALA 133 CO -0.04 0.60 -0.31 1.25 0.00 0.00 0.00 179.25 180.75 1sx4 h LEU 134 N 0.46 0.66 -9.11 0.00 5.85 -0.63 -3.45 115.31 109.08 1sx4 h LEU 134 Ca -0.04 -0.26 -0.75 0.00 0.84 0.00 0.00 57.88 57.67 1sx4 h LEU 134 Cb 1.30 -0.18 0.05 0.00 0.37 0.00 0.00 40.66 42.19 1sx4 h LEU 134 CO 0.14 0.93 0.29 -0.24 -0.34 0.00 0.00 178.44 179.22 1sx4 n SER 135 N -4.08 0.83 -4.61 1.25 2.88 0.29 -4.93 113.62 105.26 1sx4 n SER 135 Ca -0.01 1.14 -0.35 0.00 -1.33 0.00 0.00 58.87 58.32 1sx4 n SER 135 Cb 0.47 -1.03 -0.10 0.00 -0.75 0.00 0.00 64.21 62.79 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 0.54 4.84 0.78 2.46 1.01 -0.60 -4.92 120.40 124.52 1sx4 s VAL 136 Ca 0.90 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.74 1sx4 s VAL 136 Cb -1.15 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1sx4 s VAL 136 CO 0.55 0.41 1.17 -2.84 0.00 0.00 0.00 175.10 174.39 1sx4 s PRO 137 N 0.74 1.87 -0.25 2.72 0.02 -1.26 -1.22 135.00 137.63 1sx4 s PRO 137 Ca 0.04 1.61 -0.02 0.00 0.02 0.00 0.00 61.00 62.65 1sx4 s PRO 137 Cb -0.13 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1sx4 s PRO 137 CO 0.02 -2.01 0.06 0.00 -0.33 0.00 0.00 177.00 174.75 1sx4 n SER 139 N 4.98 1.03 -4.85 0.00 2.88 -1.26 -4.29 113.62 112.12 1sx4 n SER 139 Ca -0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.17 1sx4 n SER 139 Cb 0.45 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1sx4 s ASP 140 N -4.51 5.24 0.28 -3.46 1.47 -1.26 -4.79 116.67 109.64 1sx4 s ASP 140 Ca 0.00 1.30 0.02 0.00 1.18 0.00 0.00 52.55 55.06 1sx4 s ASP 140 Cb 0.00 -2.13 0.67 0.00 -0.34 0.00 0.00 42.92 41.12 1sx4 s ASP 140 CO 0.00 -1.49 1.73 0.28 0.68 0.00 0.00 175.17 176.36 1sx4 h SER 141 N -0.76 0.45 -0.01 2.11 0.02 -1.99 -0.92 113.55 112.46 1sx4 h SER 141 Ca -0.45 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1sx4 h SER 141 Cb 1.24 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 1sx4 h SER 141 CO 0.61 0.10 -0.30 0.50 -1.14 0.00 0.00 176.83 176.60 1sx4 h LYS 142 N 0.51 -0.43 -0.75 3.45 3.64 -1.99 -2.15 116.57 118.84 1sx4 h LYS 142 Ca 0.53 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.92 1sx4 h LYS 142 Cb 0.91 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1sx4 h LYS 142 CO -0.46 -0.29 0.41 0.00 -2.27 0.00 0.00 179.45 176.84 1sx4 h ALA 143 N 0.31 1.30 0.54 5.00 0.00 -1.65 -0.51 119.26 124.25 1sx4 h ALA 143 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 143 Cb 0.54 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sx4 h ALA 143 CO -0.26 0.57 -0.26 0.82 0.00 0.00 0.00 179.25 180.12 1sx4 h ILE 144 N 1.05 0.47 -0.59 0.00 1.08 -1.10 -1.76 117.51 116.66 1sx4 h ILE 144 Ca 0.27 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.67 1sx4 h ILE 144 Cb 0.03 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1sx4 h ILE 144 CO -0.04 0.00 0.13 0.00 -0.69 0.00 0.00 178.15 177.55 1sx4 h ALA 145 N -0.27 1.11 -0.63 1.87 0.00 -1.20 -1.47 119.26 118.68 1sx4 h ALA 145 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 145 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sx4 h ALA 145 CO 0.12 0.59 0.00 0.94 0.00 0.00 0.00 179.25 180.91 1sx4 n GLN 146 N -4.25 0.00 -0.04 0.00 -0.06 -0.21 -0.30 117.38 112.52 1sx4 n GLN 146 Ca 0.04 0.81 0.00 0.00 -2.00 0.00 0.00 57.00 55.86 1sx4 n GLN 146 Cb 0.25 -1.40 0.31 0.00 -4.06 0.00 0.00 30.24 25.34 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 1.18 0.52 1.69 -1.51 -0.97 -1.47 116.25 115.69 1sx4 h VAL 147 Ca 0.00 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1sx4 h VAL 147 Cb 0.00 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 1sx4 h VAL 147 CO 0.00 0.23 -0.44 1.23 -1.23 0.00 0.00 177.57 177.36 1sx4 h GLY 148 N 0.81 -1.09 0.55 5.19 0.00 -1.23 0.21 103.07 107.50 1sx4 h GLY 148 Ca 0.14 0.50 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1sx4 h GLY 148 CO -0.01 -0.36 0.18 -0.91 0.00 0.00 0.00 176.54 175.44 1sx4 h THR 149 N -0.94 0.84 -0.68 4.70 1.35 0.03 0.11 112.91 118.32 1sx4 h THR 149 Ca -0.06 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1sx4 h THR 149 Cb 0.81 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 1sx4 h THR 149 CO -0.02 0.07 0.38 0.40 -0.25 0.00 0.00 175.52 176.09 1sx4 h ILE 150 N 0.36 1.21 0.00 6.82 2.04 -1.21 -1.69 117.51 125.04 1sx4 h ILE 150 Ca 0.23 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1sx4 h ILE 150 Cb 0.24 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1sx4 h ILE 150 CO -0.23 0.23 0.00 -1.28 0.00 0.00 0.00 178.15 176.87 1sx4 h SER 151 N 0.93 0.00 -0.32 1.72 0.87 0.78 -0.75 113.55 116.78 1sx4 h SER 151 Ca 0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1sx4 h SER 151 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1sx4 h SER 151 CO -0.04 0.00 0.01 0.00 -0.53 0.00 0.00 176.83 176.27 1sx4 n ALA 152 N -1.82 3.28 -2.21 6.23 0.00 0.27 -4.39 120.51 121.86 1sx4 n ALA 152 Ca 0.02 -2.38 -0.01 0.00 0.00 0.00 0.00 53.44 51.07 1sx4 n ALA 152 Cb 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1sx4 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sx4 n ASN 153 N -0.49 -4.57 0.00 0.00 4.05 -0.29 -3.89 115.26 110.07 1sx4 n ASN 153 Ca 0.24 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.21 1sx4 n ASN 153 Cb 0.96 -2.92 0.00 0.00 1.23 0.00 0.00 39.78 39.05 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 -1.43 -4.50 -4.49 1.20 7.64 -0.70 -4.91 113.62 106.42 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 -2.87 -0.05 0.00 -1.01 0.00 0.00 64.21 60.79 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 -1.63 6.29 0.46 6.43 -1.08 -1.22 -4.93 116.67 120.99 1sx4 s ASP 155 Ca 0.00 -0.59 0.20 0.00 -0.52 0.00 0.00 52.55 51.64 1sx4 s ASP 155 Cb 0.00 -2.38 1.10 0.00 -1.46 0.00 0.00 42.92 40.17 1sx4 s ASP 155 CO 0.00 -1.12 1.97 -0.33 0.52 0.00 0.00 175.17 176.21 1sx4 h GLU 156 N 9.21 0.00 -0.15 4.34 5.08 -1.91 -2.86 114.58 128.30 1sx4 h GLU 156 Ca -0.27 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1sx4 h GLU 156 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1sx4 h GLU 156 CO 1.05 0.21 -0.33 1.79 -1.00 0.00 0.00 179.01 180.73 1sx4 h THR 157 N 0.00 1.28 -0.23 1.13 1.35 -1.98 -2.11 112.91 112.35 1sx4 h THR 157 Ca -0.00 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.44 1sx4 h THR 157 Cb 0.45 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1sx4 h THR 157 CO 0.03 0.41 -0.15 0.58 -0.25 0.00 0.00 175.52 176.14 1sx4 h VAL 158 N 0.25 1.31 -0.63 6.82 2.07 -1.89 -1.83 116.25 122.36 1sx4 h VAL 158 Ca 0.03 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.39 1sx4 h VAL 158 Cb 0.71 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 1sx4 h VAL 158 CO 0.05 0.39 0.25 1.23 0.02 0.00 0.00 177.57 179.51 1sx4 h GLY 159 N 0.20 0.90 0.61 2.17 0.00 -1.51 -2.67 103.07 102.77 1sx4 h GLY 159 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1sx4 h GLY 159 CO 0.04 -0.01 -0.50 1.70 0.00 0.00 0.00 176.54 177.77 1sx4 h LYS 160 N 0.44 -1.02 -0.84 4.80 3.64 -1.22 -2.13 116.57 120.24 1sx4 h LYS 160 Ca 0.32 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.86 1sx4 h LYS 160 Cb 0.39 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1sx4 h LYS 160 CO -0.30 -0.68 0.55 -0.07 -2.27 0.00 0.00 179.45 176.67 1sx4 h LEU 161 N -1.06 0.75 0.44 5.20 4.07 -1.00 0.35 115.31 124.06 1sx4 h LEU 161 Ca -0.07 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1sx4 h LEU 161 Cb 0.90 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1sx4 h LEU 161 CO -0.01 0.46 -0.21 0.40 -1.08 0.00 0.00 178.44 177.99 1sx4 h ILE 162 N 0.84 0.45 -0.95 1.22 2.04 -1.51 -1.05 117.51 118.55 1sx4 h ILE 162 Ca 0.38 -0.49 0.29 0.00 1.00 0.00 0.00 64.86 66.03 1sx4 h ILE 162 Cb 0.37 0.64 -0.15 0.00 -0.74 0.00 0.00 36.82 36.94 1sx4 h ILE 162 CO -0.15 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.49 1sx4 h ALA 163 N -0.56 1.65 -0.23 1.87 0.00 -0.37 0.77 119.26 122.40 1sx4 h ALA 163 Ca -0.06 0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 163 Cb 0.57 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sx4 h ALA 163 CO 0.10 -0.53 -0.61 0.93 0.00 0.00 0.00 179.25 179.14 1sx4 h GLU 164 N 0.26 0.76 0.49 0.00 5.08 -0.15 -1.81 114.58 119.21 1sx4 h GLU 164 Ca 0.66 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1sx4 h GLU 164 Cb 1.43 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1sx4 h GLU 164 CO -0.64 1.14 -0.23 0.00 -1.00 0.00 0.00 179.01 178.28 1sx4 h ALA 165 N 0.74 -0.65 -1.00 3.43 0.00 0.45 -2.35 119.26 119.87 1sx4 h ALA 165 Ca -0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 165 Cb 1.20 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1sx4 h ALA 165 CO 0.13 -0.73 0.61 0.52 0.00 0.00 0.00 179.25 179.77 1sx4 h MET 166 N -0.92 0.68 -0.12 0.00 2.86 -1.24 0.37 114.93 116.55 1sx4 h MET 166 Ca -0.07 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1sx4 h MET 166 Cb 0.59 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1sx4 h MET 166 CO 0.11 0.45 0.13 0.22 1.06 0.00 0.00 176.91 178.88 1sx4 h ASP 167 N 0.70 0.00 0.00 1.22 3.58 -1.15 0.40 116.42 121.16 1sx4 h ASP 167 Ca 0.59 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.64 1sx4 h ASP 167 Cb 1.01 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 1sx4 h ASP 167 CO -0.40 0.00 -2.50 0.29 -2.88 0.00 0.00 179.24 173.76 1sx4 n LYS 168 N -3.90 0.63 0.00 0.28 5.02 0.12 -4.68 118.16 115.63 1sx4 n LYS 168 Ca -0.00 0.18 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1sx4 n LYS 168 Cb 0.24 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.51 0.00 0.00 -0.18 3.14 -0.58 -5.11 118.33 112.09 1sx4 n VAL 169 Ca -0.48 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.46 1sx4 n VAL 169 Cb 0.96 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.91 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 0.77 1.75 0.09 7.55 0.00 0.14 -2.99 105.19 112.49 1sx4 n GLY 170 Ca 0.05 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 1.68 0.12 -0.04 1.61 5.02 -1.25 -3.28 118.16 122.02 1sx4 n LYS 171 Ca 0.00 0.40 -0.02 0.00 -2.02 0.00 0.00 58.31 56.67 1sx4 n LYS 171 Cb 0.00 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 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 -3.50 114.58 114.21 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 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 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 1.74 0.00 3.66 -3.84 0.00 -1.16 -4.74 105.19 100.85 1sx4 n GLY 173 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1sx4 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx4 s VAL 174 N 0.00 3.93 -0.21 1.61 1.01 -1.26 -4.87 120.40 120.60 1sx4 s VAL 174 Ca 0.00 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.12 1sx4 s VAL 174 Cb 0.00 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1sx4 s VAL 174 CO 0.00 -0.11 -0.16 -0.63 0.00 0.00 0.00 175.10 174.20 1sx4 s ILE 175 N 3.81 2.04 0.40 2.22 1.01 -1.26 -0.61 121.20 128.82 1sx4 s ILE 175 Ca 0.64 -1.18 0.07 0.00 0.00 0.00 0.00 60.65 60.18 1sx4 s ILE 175 Cb -0.27 -1.98 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 1sx4 s ILE 175 CO 0.22 0.30 0.12 0.42 0.00 0.00 0.00 174.94 176.00 1sx4 s THR 176 N 1.24 2.30 -0.08 2.92 -4.23 -0.46 -4.98 115.64 112.35 1sx4 s THR 176 Ca -0.01 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 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 -0.10 -0.03 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.06 1sx4 s VAL 177 N -2.61 1.72 0.27 2.29 1.01 -1.26 -0.24 120.40 121.58 1sx4 s VAL 177 Ca 0.39 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1sx4 s VAL 177 Cb 0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1sx4 s VAL 177 CO 0.21 0.48 -0.19 -1.61 0.00 0.00 0.00 175.10 174.00 1sx4 s GLU 178 N 0.35 1.63 0.30 2.72 2.02 0.03 -4.94 118.70 120.82 1sx4 s GLU 178 Ca -0.15 -1.75 -0.30 0.00 0.02 0.00 0.00 54.97 52.80 1sx4 s GLU 178 Cb -0.16 -1.67 -0.11 0.00 0.10 0.00 0.00 34.13 32.28 1sx4 s GLU 178 CO 0.06 0.30 1.51 -0.51 0.02 0.00 0.00 175.26 176.65 1sx4 s ASP 179 N -3.49 6.47 0.35 -0.19 1.11 -1.26 -2.41 116.67 117.25 1sx4 s ASP 179 Ca 0.29 2.88 -0.11 0.00 0.18 0.00 0.00 52.55 55.79 1sx4 s ASP 179 Cb -0.04 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.24 1sx4 s ASP 179 CO 0.14 -0.82 0.71 -0.83 1.18 0.00 0.00 175.17 175.54 1sx4 s GLY 180 N 0.28 2.07 -0.01 0.21 0.00 -0.69 -4.67 107.32 104.51 1sx4 s GLY 180 Ca 0.59 -0.19 0.13 0.00 0.00 0.00 0.00 44.72 45.25 1sx4 s GLY 180 CO 0.50 -0.02 0.42 -1.30 0.00 0.00 0.00 173.10 172.70 1sx4 n THR 181 N -0.88 0.00 -1.98 0.90 -2.24 -1.26 -4.86 114.28 103.96 1sx4 n THR 181 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1sx4 n THR 181 Cb 0.54 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.52 4.96 0.02 3.38 0.00 -1.26 -5.02 105.19 108.79 1sx4 n GLY 182 Ca 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 0.48 -4.76 0.99 7.94 -1.26 -3.61 117.00 116.77 1sx4 n LEU 183 Ca 0.00 -0.12 -0.39 0.00 -1.11 0.00 0.00 56.01 54.38 1sx4 n LEU 183 Cb 0.00 -0.03 -0.05 0.00 0.53 0.00 0.00 43.42 43.87 1sx4 n LEU 183 CO 0.00 0.07 0.41 -1.10 -1.11 0.00 0.00 177.39 175.66 1sx4 s GLN 184 N -3.28 4.44 0.54 1.96 -1.52 -1.26 -3.48 119.66 117.05 1sx4 s GLN 184 Ca -0.00 0.98 -0.20 0.00 -1.95 0.00 0.00 55.36 54.19 1sx4 s GLN 184 Cb 0.14 -3.32 -0.06 0.00 -0.22 0.00 0.00 33.01 29.56 1sx4 s GLN 184 CO 0.86 0.41 1.16 -0.51 -0.25 0.00 0.00 175.29 176.96 1sx4 s ASP 185 N -0.47 5.67 0.05 5.90 1.01 -1.26 -3.80 116.67 123.77 1sx4 s ASP 185 Ca 0.35 2.25 0.04 0.00 0.71 0.00 0.00 52.55 55.90 1sx4 s ASP 185 Cb -0.20 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.11 1sx4 s ASP 185 CO 0.22 -1.26 -0.11 -1.61 0.21 0.00 0.00 175.17 172.63 1sx4 s GLU 186 N -3.20 0.68 -0.14 8.23 2.02 -0.87 -4.94 118.70 120.48 1sx4 s GLU 186 Ca 0.72 -0.80 -0.00 0.00 0.02 0.00 0.00 54.97 54.92 1sx4 s GLU 186 Cb -0.26 -0.58 0.03 0.00 0.10 0.00 0.00 34.13 33.42 1sx4 s GLU 186 CO 0.30 0.13 -0.10 -1.17 0.02 0.00 0.00 175.26 174.43 1sx4 s LEU 187 N -1.49 1.52 -0.03 1.80 0.20 -1.26 -1.01 118.68 118.41 1sx4 s LEU 187 Ca -0.05 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.33 1sx4 s LEU 187 Cb -0.09 -1.01 -0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1sx4 s LEU 187 CO 0.01 -0.11 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.03 1sx4 s ASP 188 N 1.59 1.61 0.17 3.68 1.01 -0.75 -5.01 116.67 118.97 1sx4 s ASP 188 Ca 0.04 -0.25 -0.13 0.00 0.71 0.00 0.00 52.55 52.92 1sx4 s ASP 188 Cb -0.13 -0.37 -0.07 0.00 1.01 0.00 0.00 42.92 43.36 1sx4 s ASP 188 CO -0.09 0.12 0.54 0.68 0.21 0.00 0.00 175.17 176.63 1sx4 s VAL 189 N 0.01 4.89 -0.02 -1.27 -7.23 -1.26 -0.47 120.40 115.04 1sx4 s VAL 189 Ca -0.01 0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 60.59 1sx4 s VAL 189 Cb -0.09 -3.69 0.06 0.00 0.56 0.00 0.00 36.38 33.22 1sx4 s VAL 189 CO 0.01 0.14 0.61 0.54 -0.31 0.00 0.00 175.10 176.09 1sx4 s VAL 190 N -1.58 0.01 0.23 1.32 0.11 -0.90 -4.97 120.40 114.62 1sx4 s VAL 190 Ca 0.41 -0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 59.05 1sx4 s VAL 190 Cb -0.14 -0.94 -0.13 0.00 -1.53 0.00 0.00 36.38 33.64 1sx4 s VAL 190 CO 0.20 -0.05 1.56 -0.62 -3.33 0.00 0.00 175.10 172.86 1sx4 n GLU 191 N 0.84 2.39 -1.33 1.54 -0.58 -1.26 -1.59 120.64 120.65 1sx4 n GLU 191 Ca -0.19 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1sx4 n GLU 191 Cb 0.58 -2.61 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 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 2.83 -0.67 0.00 0.62 0.00 -1.26 -1.60 105.19 105.10 1sx4 n GLY 192 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.85 1.61 1.56 -0.95 -4.57 117.12 110.93 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 0.01 0.02 2.12 0.74 -1.26 -0.50 119.66 118.79 1sx4 s GLN 194 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.48 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 -0.03 -0.05 -0.59 -0.55 0.00 0.00 175.29 174.07 1sx4 s PHE 195 N 0.22 0.43 -0.89 1.67 -0.71 0.49 -5.00 117.98 114.19 1sx4 s PHE 195 Ca -0.02 -0.39 -0.20 0.00 -1.04 0.00 0.00 56.93 55.29 1sx4 s PHE 195 Cb -0.03 -0.27 -0.12 0.00 -1.21 0.00 0.00 43.02 41.39 1sx4 s PHE 195 CO -0.01 -0.10 1.98 -0.25 -1.34 0.00 0.00 175.22 175.51 1sx4 n ASP 196 N 1.93 2.84 -3.87 1.98 8.00 -1.26 -1.58 116.55 124.58 1sx4 n ASP 196 Ca -0.20 -2.69 -0.12 0.00 0.71 0.00 0.00 54.79 52.49 1sx4 n ASP 196 Cb 0.56 -1.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 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 4.65 0.17 0.35 -1.24 1.81 -1.21 -4.92 118.95 118.55 1sx4 s ARG 197 Ca 0.55 -0.07 0.08 0.00 -1.72 0.00 0.00 55.73 54.58 1sx4 s ARG 197 Cb 0.14 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 1sx4 s ARG 197 CO 0.08 -0.03 0.13 0.20 -0.68 0.00 0.00 175.30 175.00 1sx4 s GLY 198 N -0.37 1.99 0.57 -3.53 0.00 -1.26 -1.42 107.32 103.29 1sx4 s GLY 198 Ca -0.04 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.64 1sx4 s GLY 198 CO 0.00 -1.78 0.39 1.58 0.00 0.00 0.00 173.10 173.29 1sx4 n TYR 199 N -1.14 -1.14 1.06 1.90 0.18 -0.85 -4.39 117.16 112.78 1sx4 n TYR 199 Ca -0.03 0.44 0.12 0.00 1.88 0.00 0.00 57.90 60.31 1sx4 n TYR 199 Cb 0.62 -1.90 0.22 0.00 -0.38 0.00 0.00 39.34 37.89 1sx4 n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1sx4 n LEU 200 N 0.86 0.79 -3.64 -3.48 4.77 -0.95 -4.85 117.00 110.51 1sx4 n LEU 200 Ca 0.11 -0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1sx4 n LEU 200 Cb 0.48 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1sx4 n LEU 200 CO 0.51 0.17 0.36 -0.55 -1.33 0.00 0.00 177.39 176.55 1sx4 s SER 201 N -2.84 -0.94 0.67 -1.43 0.15 -1.26 -5.03 113.70 103.01 1sx4 s SER 201 Ca 0.14 1.51 0.40 0.00 0.70 0.00 0.00 55.95 58.71 1sx4 s SER 201 Cb 0.18 1.39 2.19 0.00 -1.71 0.00 0.00 66.02 68.07 1sx4 s SER 201 CO 0.67 -0.24 2.23 -0.65 1.20 0.00 0.00 173.24 176.45 1sx4 h PRO 202 N 6.94 0.00 0.00 5.44 0.11 -2.01 -0.54 132.00 141.95 1sx4 h PRO 202 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sx4 h PRO 202 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1sx4 h PRO 202 CO 0.16 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.61 1sx4 n TYR 203 N -3.01 0.00 0.20 0.65 4.01 -1.26 -1.91 117.16 115.84 1sx4 n TYR 203 Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 1sx4 n TYR 203 Cb 0.16 -0.29 0.35 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.96 -0.72 0.04 -1.43 -3.45 116.94 109.41 1sx4 h PHE 204 Ca 0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 1sx4 h PHE 204 Cb 0.21 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.39 1sx4 h PHE 204 CO 0.00 0.27 0.97 -0.89 -0.60 0.00 0.00 178.31 178.06 1sx4 n ILE 205 N -3.34 0.39 0.59 -0.55 5.41 -0.81 -4.75 119.36 116.30 1sx4 n ILE 205 Ca 0.01 -0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.76 1sx4 n ILE 205 Cb 0.50 -1.62 0.05 0.00 -0.71 0.00 0.00 39.64 37.86 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 5.57 2.13 -3.33 4.38 0.23 -1.21 -4.78 115.26 118.24 1sx4 n ASN 206 Ca 0.22 -1.56 -0.26 0.00 -0.53 0.00 0.00 54.58 52.45 1sx4 n ASN 206 Cb 0.26 0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.73 0.56 0.07 -3.83 5.02 -1.10 -5.00 118.16 114.60 1sx4 n LYS 207 Ca 0.08 -3.31 0.03 0.00 -2.02 0.00 0.00 58.31 53.09 1sx4 n LYS 207 Cb 0.35 -1.54 0.17 0.00 -0.02 0.00 0.00 35.03 33.99 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 2.15 0.04 0.15 1.97 -0.04 -1.26 -1.87 135.00 136.14 1sx4 n PRO 208 Ca 0.26 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 64.23 1sx4 n PRO 208 Cb 0.49 -1.82 0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.81 114.58 113.42 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 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1sx4 h GLU 209 CO 0.00 0.21 -0.47 2.41 -1.40 0.00 0.00 179.01 179.77 1sx4 n THR 210 N -3.06 0.00 -3.96 1.13 -1.04 -0.78 -4.98 114.28 101.58 1sx4 n THR 210 Ca 0.01 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.05 61.58 1sx4 n THR 210 Cb 0.64 0.93 -0.02 0.00 -1.82 0.00 0.00 70.33 70.06 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 1.41 -0.23 3.23 3.41 0.00 -1.06 -4.96 105.19 106.99 1sx4 n GLY 211 Ca 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.94 -0.48 -0.17 4.61 0.00 -1.23 -4.44 121.76 116.11 1sx4 s ALA 212 Ca 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 1sx4 s ALA 212 Cb -0.02 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1sx4 s ALA 212 CO 0.89 -0.47 0.08 0.08 0.00 0.00 0.00 175.76 176.33 1sx4 s VAL 213 N -3.22 4.92 -0.28 0.00 1.01 -0.62 -2.72 120.40 119.48 1sx4 s VAL 213 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1sx4 s VAL 213 Cb 0.02 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.28 1sx4 s VAL 213 CO -0.08 0.48 0.08 -0.70 0.00 0.00 0.00 175.10 174.88 1sx4 s GLU 214 N 0.17 0.76 -0.10 2.72 2.12 -1.26 -0.83 118.70 122.29 1sx4 s GLU 214 Ca 0.05 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 1sx4 s GLU 214 Cb -0.12 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1sx4 s GLU 214 CO 0.00 -0.90 0.01 -0.51 -0.54 0.00 0.00 175.26 173.32 1sx4 s LEU 215 N 1.65 3.61 -0.26 2.70 1.43 -0.71 -4.99 118.68 122.10 1sx4 s LEU 215 Ca 0.07 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1sx4 s LEU 215 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1sx4 s LEU 215 CO -0.21 0.35 0.02 -1.61 0.23 0.00 0.00 176.35 175.13 1sx4 s GLU 216 N -0.71 3.17 -1.35 1.70 2.02 -1.26 -2.49 118.70 119.78 1sx4 s GLU 216 Ca 0.11 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 1sx4 s GLU 216 Cb -0.12 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1sx4 s GLU 216 CO 0.02 -0.35 0.52 0.43 0.02 0.00 0.00 175.26 175.91 1sx4 n SER 217 N 4.81 -5.53 -4.79 -0.19 7.64 -0.97 -4.62 113.62 109.98 1sx4 n SER 217 Ca -0.16 -0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.13 1sx4 n SER 217 Cb 0.49 -4.36 -0.03 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 -5.53 3.84 0.56 1.43 0.04 -1.20 -4.78 135.00 129.36 1sx4 s PRO 218 Ca 0.26 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 1sx4 s PRO 218 Cb -0.11 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1sx4 s PRO 218 CO 0.32 -0.41 1.06 -0.06 0.04 0.00 0.00 177.00 177.95 1sx4 s PHE 219 N -1.87 2.95 -0.20 0.56 0.08 -0.91 -3.04 117.98 115.55 1sx4 s PHE 219 Ca 0.66 1.53 0.01 0.00 0.12 0.00 0.00 56.93 59.24 1sx4 s PHE 219 Cb -0.19 -3.05 0.05 0.00 -0.57 0.00 0.00 43.02 39.25 1sx4 s PHE 219 CO 0.23 -1.09 -0.08 0.42 -0.10 0.00 0.00 175.22 174.60 1sx4 s ILE 220 N -2.26 1.51 -0.14 0.64 1.01 0.13 -0.44 121.20 121.64 1sx4 s ILE 220 Ca 0.65 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1sx4 s ILE 220 Cb -0.17 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1sx4 s ILE 220 CO 0.32 0.09 1.01 -0.22 0.00 0.00 0.00 174.94 176.14 1sx4 s LEU 221 N 1.44 4.20 -0.73 2.97 2.96 0.11 0.19 118.68 129.83 1sx4 s LEU 221 Ca -0.02 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.40 1sx4 s LEU 221 Cb -0.17 -3.54 0.31 0.00 0.50 0.00 0.00 46.19 43.29 1sx4 s LEU 221 CO -0.08 -0.51 1.12 0.18 -1.32 0.00 0.00 176.35 175.74 1sx4 n LEU 222 N 5.40 5.06 -4.71 -0.68 4.77 -1.26 -0.50 117.00 125.07 1sx4 n LEU 222 Ca 0.10 -5.53 -0.40 0.00 -0.03 0.00 0.00 56.01 50.15 1sx4 n LEU 222 Cb 0.48 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1sx4 n LEU 222 CO 0.52 2.16 0.42 0.00 -1.33 0.00 0.00 177.39 179.16 1sx4 s ALA 223 N -3.33 3.34 -1.12 -1.18 0.00 -1.20 -2.13 121.76 116.14 1sx4 s ALA 223 Ca 0.43 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1sx4 s ALA 223 Cb 0.21 -2.99 0.27 0.00 0.00 0.00 0.00 23.12 20.61 1sx4 s ALA 223 CO -0.08 -0.16 1.32 -3.47 0.00 0.00 0.00 175.76 173.37 1sx4 n ASP 224 N 3.92 5.80 -3.58 0.00 2.03 -0.50 -3.24 116.55 120.98 1sx4 n ASP 224 Ca -0.01 -3.17 0.03 0.00 0.52 0.00 0.00 54.79 52.17 1sx4 n ASP 224 Cb 0.51 -1.36 -0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 -1.48 0.12 -0.15 -0.67 -2.85 -1.26 -3.98 119.74 109.46 1sx4 s LYS 225 Ca 0.33 -0.07 -0.23 0.00 -1.00 0.00 0.00 55.97 55.00 1sx4 s LYS 225 Cb -0.03 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 1sx4 s LYS 225 CO -0.00 -0.06 0.70 0.15 0.10 0.00 0.00 175.35 176.24 1sx4 s LYS 226 N -2.13 4.30 -0.40 1.78 1.02 -1.26 -1.64 119.74 121.42 1sx4 s LYS 226 Ca 0.15 0.79 -0.17 0.00 0.02 0.00 0.00 55.97 56.76 1sx4 s LYS 226 Cb 0.07 -3.54 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1sx4 s LYS 226 CO -0.06 -0.17 0.45 0.42 -0.92 0.00 0.00 175.35 175.07 1sx4 s ILE 227 N 1.64 5.07 -0.15 2.17 1.01 0.29 -4.91 121.20 126.33 1sx4 s ILE 227 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1sx4 s ILE 227 Cb -0.16 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 1sx4 s ILE 227 CO 0.13 -0.34 -0.17 -1.20 0.00 0.00 0.00 174.94 173.36 1sx4 n SER 228 N 5.62 1.87 -4.76 3.58 7.64 -1.26 -0.20 113.62 126.11 1sx4 n SER 228 Ca -0.07 0.07 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1sx4 n SER 228 Cb 0.48 -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 -5.97 5.72 0.04 6.43 0.01 -1.26 -1.46 114.94 118.45 1sx4 s ASN 229 Ca -0.21 0.27 0.24 0.00 -0.71 0.00 0.00 52.86 52.45 1sx4 s ASN 229 Cb 0.07 -1.75 0.99 0.00 0.41 0.00 0.00 41.25 40.97 1sx4 s ASN 229 CO 0.30 0.37 1.76 0.00 -1.51 0.00 0.00 177.10 178.03 1sx4 n ILE 230 N 2.19 0.41 -0.13 0.60 3.06 -1.26 -3.54 119.36 120.70 1sx4 n ILE 230 Ca -0.19 0.05 -0.06 0.00 -2.50 0.00 0.00 62.75 60.06 1sx4 n ILE 230 Cb 0.54 -0.70 0.03 0.00 0.54 0.00 0.00 39.64 40.05 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 0.36 -0.13 9.51 3.08 -2.02 -1.66 114.38 123.53 1sx4 h ARG 231 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1sx4 h ARG 231 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1sx4 h ARG 231 CO 0.00 0.24 0.13 0.93 -1.07 0.00 0.00 179.97 180.20 1sx4 h GLU 232 N 0.37 0.00 0.25 0.04 5.08 -1.95 -3.16 114.58 115.21 1sx4 h GLU 232 Ca 0.18 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.21 1sx4 h GLU 232 Cb 0.13 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.41 1sx4 h GLU 232 CO -0.15 0.00 -1.47 0.52 -1.00 0.00 0.00 179.01 176.91 1sx4 h MET 233 N 0.00 0.53 -0.46 2.33 2.86 -1.49 -3.14 114.93 115.56 1sx4 h MET 233 Ca 0.06 -0.91 0.13 0.00 -2.06 0.00 0.00 59.70 56.93 1sx4 h MET 233 Cb 0.32 0.34 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1sx4 h MET 233 CO -0.00 1.43 0.44 -0.07 1.06 0.00 0.00 176.91 179.77 1sx4 h LEU 234 N 0.12 0.00 -0.63 1.22 3.38 -1.48 0.19 115.31 118.11 1sx4 h LEU 234 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1sx4 h LEU 234 Cb 2.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.89 1sx4 h LEU 234 CO 0.27 0.00 -0.34 1.55 0.09 0.00 0.00 178.44 180.01 1sx4 h PRO 235 N 0.00 0.70 0.18 1.13 0.13 -1.83 -3.16 132.00 129.15 1sx4 h PRO 235 Ca 0.22 -0.33 -0.31 0.00 -0.87 0.00 0.00 66.00 64.71 1sx4 h PRO 235 Cb 1.09 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.25 1sx4 h PRO 235 CO -0.00 0.94 -1.35 0.28 -0.23 0.00 0.00 178.00 177.64 1sx4 h VAL 236 N 0.59 1.33 0.00 1.56 2.07 -0.84 -3.01 116.25 117.94 1sx4 h VAL 236 Ca 0.06 -2.69 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 1sx4 h VAL 236 Cb 0.86 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1sx4 h VAL 236 CO 0.07 0.81 -0.02 -0.07 0.02 0.00 0.00 177.57 178.38 1sx4 h LEU 237 N 0.18 0.00 0.15 2.57 3.38 -1.55 -1.71 115.31 118.32 1sx4 h LEU 237 Ca -0.21 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.44 1sx4 h LEU 237 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1sx4 h LEU 237 CO 0.25 0.02 -1.57 -0.33 0.09 0.00 0.00 178.44 176.91 1sx4 h GLU 238 N 0.00 0.33 -0.25 1.13 5.08 -1.56 -2.07 114.58 117.25 1sx4 h GLU 238 Ca -0.00 -0.56 -0.17 0.00 -1.00 0.00 0.00 59.36 57.63 1sx4 h GLU 238 Cb 0.39 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sx4 h GLU 238 CO 0.00 1.22 -0.55 0.00 -1.00 0.00 0.00 179.01 178.69 1sx4 h ALA 239 N 0.36 0.57 -0.26 3.43 0.00 -1.38 -2.80 119.26 119.17 1sx4 h ALA 239 Ca -0.27 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1sx4 h ALA 239 Cb 2.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1sx4 h ALA 239 CO 0.18 0.68 -0.13 0.28 0.00 0.00 0.00 179.25 180.27 1sx4 h VAL 240 N 0.56 1.30 0.00 0.00 2.07 -1.42 -2.41 116.25 116.35 1sx4 h VAL 240 Ca 0.01 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1sx4 h VAL 240 Cb 1.12 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1sx4 h VAL 240 CO 0.11 0.38 -0.09 0.00 0.02 0.00 0.00 177.57 177.99 1sx4 h ALA 241 N 0.73 1.55 0.05 1.67 0.00 -1.41 -2.76 119.26 119.09 1sx4 h ALA 241 Ca 0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1sx4 h ALA 241 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1sx4 h ALA 241 CO 0.04 0.12 -1.18 0.87 0.00 0.00 0.00 179.25 179.09 1sx4 h LYS 242 N 0.00 0.10 0.00 0.00 1.57 -1.37 -3.06 116.57 113.81 1sx4 h LYS 242 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1sx4 h LYS 242 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1sx4 h LYS 242 CO 0.01 1.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.93 1sx4 n ALA 243 N -2.45 2.55 -4.07 3.86 0.00 -0.92 -4.90 120.51 114.58 1sx4 n ALA 243 Ca -0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1sx4 n ALA 243 Cb 0.98 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 0.73 -0.37 3.20 0.00 0.00 -1.10 -4.96 105.19 102.69 1sx4 n GLY 244 Ca 0.16 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.73 0.91 1.08 1.61 1.02 -1.19 -5.08 119.74 111.36 1sx4 s LYS 245 Ca 0.45 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 55.15 1sx4 s LYS 245 Cb -0.24 -0.78 0.23 0.00 -0.52 0.00 0.00 37.83 36.52 1sx4 s LYS 245 CO 0.90 0.15 1.15 -1.25 -0.92 0.00 0.00 175.35 175.38 1sx4 s PRO 246 N -2.39 -0.21 -0.10 -1.68 0.04 -1.26 -4.61 135.00 124.78 1sx4 s PRO 246 Ca 0.04 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.05 1sx4 s PRO 246 Cb -0.06 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.81 1sx4 s PRO 246 CO 0.02 -3.06 0.24 -1.17 0.04 0.00 0.00 177.00 173.08 1sx4 s LEU 247 N -6.52 0.55 -0.22 -3.56 2.96 -1.17 -2.14 118.68 108.58 1sx4 s LEU 247 Ca 0.69 0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 55.04 1sx4 s LEU 247 Cb -0.11 0.75 -0.04 0.00 0.50 0.00 0.00 46.19 47.29 1sx4 s LEU 247 CO 0.55 -0.15 0.07 -0.22 -1.32 0.00 0.00 176.35 175.29 1sx4 s LEU 248 N 1.04 3.63 -0.23 -0.68 2.96 0.41 -2.17 118.68 123.64 1sx4 s LEU 248 Ca -0.07 -0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1sx4 s LEU 248 Cb -0.09 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1sx4 s LEU 248 CO -0.07 0.05 0.29 -0.63 -1.32 0.00 0.00 176.35 174.67 1sx4 s ILE 249 N 1.11 5.26 -0.67 6.68 -1.09 -0.38 0.08 121.20 132.20 1sx4 s ILE 249 Ca 0.04 0.46 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1sx4 s ILE 249 Cb -0.14 -3.63 0.16 0.00 -1.58 0.00 0.00 42.46 37.28 1sx4 s ILE 249 CO 0.03 0.27 0.45 -0.63 -1.23 0.00 0.00 174.94 173.84 1sx4 s ILE 250 N 1.35 2.76 0.54 2.92 1.01 0.34 -1.16 121.20 128.95 1sx4 s ILE 250 Ca 0.13 -4.08 0.05 0.00 0.00 0.00 0.00 60.65 56.75 1sx4 s ILE 250 Cb -0.14 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.55 1sx4 s ILE 250 CO 0.07 -0.98 0.39 0.00 0.00 0.00 0.00 174.94 174.42 1sx4 n ALA 251 N 2.17 0.82 -0.25 9.38 0.00 -1.23 -3.26 120.51 128.14 1sx4 n ALA 251 Ca 0.18 -2.16 0.03 0.00 0.00 0.00 0.00 53.44 51.48 1sx4 n ALA 251 Cb 0.35 0.90 0.16 0.00 0.00 0.00 0.00 19.45 20.86 1sx4 n ALA 251 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sx4 h GLU 252 N 0.00 0.55 -2.30 0.00 4.81 -1.28 0.11 114.58 116.48 1sx4 h GLU 252 Ca -0.34 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1sx4 h GLU 252 Cb 1.25 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 1sx4 h GLU 252 CO 0.54 0.37 0.50 0.34 -0.73 0.00 0.00 179.01 180.03 1sx4 s ASP 253 N -5.46 -0.17 -0.07 1.04 -1.08 -1.24 -3.96 116.67 105.74 1sx4 s ASP 253 Ca -0.12 -0.39 -0.01 0.00 -0.52 0.00 0.00 52.55 51.50 1sx4 s ASP 253 Cb 0.19 0.47 0.03 0.00 -1.46 0.00 0.00 42.92 42.15 1sx4 s ASP 253 CO 0.76 -0.88 -0.00 -0.69 0.52 0.00 0.00 175.17 174.88 1sx4 s VAL 254 N -3.25 0.38 0.09 1.11 1.01 -1.26 -0.54 120.40 117.94 1sx4 s VAL 254 Ca 0.12 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1sx4 s VAL 254 Cb -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1sx4 s VAL 254 CO 0.02 0.25 -0.15 -1.61 0.00 0.00 0.00 175.10 173.61 1sx4 s GLU 255 N 1.80 2.01 0.00 2.72 2.02 0.72 -4.67 118.70 123.30 1sx4 s GLU 255 Ca 0.02 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1sx4 s GLU 255 Cb -0.13 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1sx4 s GLU 255 CO -0.04 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1sx4 n GLY 256 N 1.02 0.12 0.00 -1.39 0.00 -1.26 -2.27 105.19 101.41 1sx4 n GLY 256 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.12 1.61 0.00 -1.26 -0.03 120.64 121.08 1sx4 n GLU 257 Ca 0.00 0.62 0.15 0.00 0.00 0.00 0.00 57.16 57.93 1sx4 n GLU 257 Cb 0.00 -1.14 0.67 0.00 0.00 0.00 0.00 31.44 30.97 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 -1.73 2.27 0.45 4.31 0.00 -0.81 -0.98 119.26 122.77 1sx4 h ALA 258 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 258 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sx4 h ALA 258 CO 0.00 -0.36 -0.22 1.25 0.00 0.00 0.00 179.25 179.93 1sx4 h LEU 259 N 0.00 -0.51 -2.25 0.00 5.85 -1.08 -1.15 115.31 116.17 1sx4 h LEU 259 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1sx4 h LEU 259 Cb 0.55 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1sx4 h LEU 259 CO -0.00 -0.27 0.20 0.00 -0.34 0.00 0.00 178.44 178.03 1sx4 h ALA 260 N -1.52 1.19 0.18 1.25 0.00 -0.15 -0.96 119.26 119.25 1sx4 h ALA 260 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 260 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sx4 h ALA 260 CO 0.10 -0.19 -0.09 1.15 0.00 0.00 0.00 179.25 180.22 1sx4 h THR 261 N 0.00 0.45 -0.16 0.00 2.02 -1.06 -2.83 112.91 111.34 1sx4 h THR 261 Ca 0.00 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.17 1sx4 h THR 261 Cb 0.40 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1sx4 h THR 261 CO 0.00 0.13 0.11 -0.07 0.37 0.00 0.00 175.52 176.06 1sx4 h LEU 262 N -1.00 0.11 0.63 2.58 3.38 -0.50 -0.33 115.31 120.19 1sx4 h LEU 262 Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sx4 h LEU 262 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sx4 h LEU 262 CO 0.04 0.08 -0.34 0.58 0.09 0.00 0.00 178.44 178.89 1sx4 h VAL 263 N 0.13 0.31 0.00 1.22 2.07 -1.28 -2.00 116.25 116.69 1sx4 h VAL 263 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1sx4 h VAL 263 Cb 0.11 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1sx4 h VAL 263 CO -0.01 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.10 1sx4 n VAL 264 N -5.48 0.69 0.11 2.57 0.31 -0.97 -1.50 118.33 114.05 1sx4 n VAL 264 Ca -0.13 0.16 0.02 0.00 -0.01 0.00 0.00 64.34 64.38 1sx4 n VAL 264 Cb 0.37 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.45 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 -0.71 -3.24 115.58 115.89 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 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1sx4 h ASN 265 CO 0.00 0.51 -1.02 0.35 -1.06 0.00 0.00 177.43 176.21 1sx4 n THR 266 N -3.12 0.00 0.19 2.81 -2.24 -0.78 -1.70 114.28 109.43 1sx4 n THR 266 Ca -0.01 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1sx4 n THR 266 Cb 0.76 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.42 -0.08 -0.78 -1.53 -1.33 -3.04 114.93 107.74 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 0.51 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 1sx4 h MET 267 CO 0.00 -0.21 0.00 0.54 0.14 0.00 0.00 176.91 177.38 1sx4 n ARG 268 N -5.23 1.56 -3.27 0.39 1.74 -1.22 -4.96 116.66 105.67 1sx4 n ARG 268 Ca -0.10 -0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 55.98 1sx4 n ARG 268 Cb 0.23 -1.43 0.06 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.10 -0.17 0.07 -0.13 0.00 -1.15 -4.97 105.19 99.94 1sx4 n GLY 269 Ca 0.18 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.90 1.57 -3.29 -0.61 2.04 -1.63 -3.44 117.51 110.24 1sx4 h ILE 270 Ca -0.43 -2.16 -0.45 0.00 1.00 0.00 0.00 64.86 62.82 1sx4 h ILE 270 Cb 1.27 2.95 -0.37 0.00 -0.74 0.00 0.00 36.82 39.94 1sx4 h ILE 270 CO 0.41 0.53 -0.78 -0.69 0.00 0.00 0.00 178.15 177.62 1sx4 s VAL 271 N -2.18 0.59 -0.00 1.67 1.01 -1.18 -5.04 120.40 115.28 1sx4 s VAL 271 Ca -0.17 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 271 Cb -0.03 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1sx4 s VAL 271 CO 0.60 0.28 1.40 -0.54 0.00 0.00 0.00 175.10 176.85 1sx4 s LYS 272 N 1.60 4.28 0.03 2.72 3.01 -1.26 -4.00 119.74 126.12 1sx4 s LYS 272 Ca 0.00 1.97 -0.09 0.00 -1.01 0.00 0.00 55.97 56.84 1sx4 s LYS 272 Cb -0.13 -3.58 0.00 0.00 -1.01 0.00 0.00 37.83 33.11 1sx4 s LYS 272 CO -0.04 -0.58 0.17 0.08 0.51 0.00 0.00 175.35 175.49 1sx4 s VAL 273 N 2.43 0.11 -0.14 3.17 1.01 -1.26 -3.04 120.40 122.68 1sx4 s VAL 273 Ca 0.64 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1sx4 s VAL 273 Cb -0.31 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1sx4 s VAL 273 CO 0.26 -0.48 0.38 0.00 0.00 0.00 0.00 175.10 175.26 1sx4 s ALA 274 N -2.30 -0.94 -0.00 5.51 0.00 -0.92 -4.89 121.76 118.21 1sx4 s ALA 274 Ca -0.07 1.04 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1sx4 s ALA 274 Cb -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1sx4 s ALA 274 CO -0.03 -0.18 -0.16 0.00 0.00 0.00 0.00 175.76 175.39 1sx4 s ALA 275 N 0.12 1.36 0.01 0.00 0.00 -1.26 -1.25 121.76 120.75 1sx4 s ALA 275 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1sx4 s ALA 275 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1sx4 s ALA 275 CO 0.01 0.32 -0.03 0.14 0.00 0.00 0.00 175.76 176.20 1sx4 s VAL 276 N -0.46 0.16 0.82 0.00 -7.23 -0.31 -2.24 120.40 111.14 1sx4 s VAL 276 Ca 0.06 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.56 1sx4 s VAL 276 Cb -0.07 -0.22 0.07 0.00 0.56 0.00 0.00 36.38 36.72 1sx4 s VAL 276 CO -0.00 -0.24 1.09 0.29 -0.31 0.00 0.00 175.10 175.92 1sx4 n LYS 277 N 2.25 0.12 -2.10 4.82 5.02 -1.26 -3.48 118.16 123.52 1sx4 n LYS 277 Ca -0.18 0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1sx4 n LYS 277 Cb 0.57 -2.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.23 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 -2.16 3.00 0.39 7.82 0.00 0.39 -4.80 121.76 126.40 1sx4 s ALA 278 Ca 0.71 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1sx4 s ALA 278 Cb -0.29 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1sx4 s ALA 278 CO 0.53 -0.55 1.16 -1.25 0.00 0.00 0.00 175.76 175.65 1sx4 s PRO 279 N -4.52 4.12 0.25 0.00 0.04 -1.26 -4.87 135.00 128.76 1sx4 s PRO 279 Ca 0.58 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1sx4 s PRO 279 Cb -0.11 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1sx4 s PRO 279 CO 0.42 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1sx4 n GLY 280 N 0.65 -1.98 3.05 0.56 0.00 -1.26 -4.61 105.19 101.60 1sx4 n GLY 280 Ca 0.04 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.21 0.65 0.00 1.61 -0.71 -1.26 -4.73 117.98 111.33 1sx4 s PHE 281 Ca 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1sx4 s PHE 281 Cb 0.00 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 1sx4 s PHE 281 CO 0.00 -0.07 0.00 0.41 -1.34 0.00 0.00 175.22 174.22 1sx4 n GLY 282 N 1.71 2.26 0.10 1.99 0.00 -1.26 -3.77 105.19 106.22 1sx4 n GLY 282 Ca -0.21 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.12 0.15 1.61 3.32 -2.02 -3.11 116.42 116.25 1sx4 h ASP 283 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1sx4 h ASP 283 Cb 0.00 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1sx4 h ASP 283 CO 0.00 0.25 0.00 -2.11 -1.72 0.00 0.00 179.24 175.66 1sx4 n ARG 284 N -4.99 0.49 -0.03 3.56 1.85 -1.25 -3.14 116.66 113.16 1sx4 n ARG 284 Ca -0.09 0.04 -0.13 0.00 -1.00 0.00 0.00 57.85 56.68 1sx4 n ARG 284 Cb 0.22 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.04 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 0.11 -0.59 2.89 2.43 -1.64 -2.77 114.38 114.81 1sx4 h ARG 285 Ca 0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1sx4 h ARG 285 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1sx4 h ARG 285 CO 0.00 0.58 0.07 0.87 -1.51 0.00 0.00 179.97 179.98 1sx4 h LYS 286 N -0.34 0.99 -0.24 0.20 1.57 -1.68 0.32 116.57 117.39 1sx4 h LYS 286 Ca 0.01 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1sx4 h LYS 286 Cb 0.56 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1sx4 h LYS 286 CO 0.01 0.95 -0.01 0.00 -0.57 0.00 0.00 179.45 179.83 1sx4 h ALA 287 N 1.00 0.20 -0.25 3.86 0.00 -1.69 -1.45 119.26 120.93 1sx4 h ALA 287 Ca 0.18 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1sx4 h ALA 287 Cb 0.46 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1sx4 h ALA 287 CO 0.02 -0.43 -0.31 0.52 0.00 0.00 0.00 179.25 179.05 1sx4 h MET 288 N 0.06 0.51 -0.39 0.00 2.86 -0.96 -1.83 114.93 115.18 1sx4 h MET 288 Ca 0.11 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1sx4 h MET 288 Cb 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1sx4 h MET 288 CO -0.20 0.76 -0.18 1.25 1.06 0.00 0.00 176.91 179.60 1sx4 h LEU 289 N 0.44 0.82 -1.69 1.22 6.46 -0.38 -2.93 115.31 119.25 1sx4 h LEU 289 Ca 0.06 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 57.51 1sx4 h LEU 289 Cb 0.76 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1sx4 h LEU 289 CO 0.06 1.04 0.37 -0.61 -0.62 0.00 0.00 178.44 178.68 1sx4 h GLN 290 N 0.60 0.34 -0.68 1.25 5.75 -0.66 -1.93 115.11 119.78 1sx4 h GLN 290 Ca 0.09 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1sx4 h GLN 290 Cb 0.73 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1sx4 h GLN 290 CO 0.05 0.23 0.22 -0.44 -2.65 0.00 0.00 178.83 176.24 1sx4 h ASP 291 N 0.35 0.99 0.34 -0.69 5.19 -1.17 -1.48 116.42 119.96 1sx4 h ASP 291 Ca 0.25 -0.21 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1sx4 h ASP 291 Cb 0.52 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1sx4 h ASP 291 CO -0.06 0.93 -0.54 0.40 -3.12 0.00 0.00 179.24 176.85 1sx4 h ILE 292 N 1.00 1.36 0.40 0.35 2.04 -1.33 -1.73 117.51 119.60 1sx4 h ILE 292 Ca 0.22 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1sx4 h ILE 292 Cb 0.30 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1sx4 h ILE 292 CO -0.01 0.54 -0.39 0.00 0.00 0.00 0.00 178.15 178.29 1sx4 h ALA 293 N 1.27 -1.07 -1.00 1.87 0.00 -1.02 -1.09 119.26 118.22 1sx4 h ALA 293 Ca 0.00 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.02 1sx4 h ALA 293 Cb 1.01 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1sx4 h ALA 293 CO 0.08 -1.09 0.58 1.15 0.00 0.00 0.00 179.25 179.97 1sx4 h THR 294 N -0.79 0.49 -0.53 0.00 2.02 -1.07 0.52 112.91 113.56 1sx4 h THR 294 Ca -0.05 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 1sx4 h THR 294 Cb 0.68 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1sx4 h THR 294 CO -0.04 0.10 -0.13 0.25 0.37 0.00 0.00 175.52 176.07 1sx4 h LEU 295 N 0.53 1.02 -2.44 2.58 7.12 -0.94 -3.16 115.31 120.02 1sx4 h LEU 295 Ca 0.65 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1sx4 h LEU 295 Cb 1.28 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1sx4 h LEU 295 CO -0.50 1.14 0.00 0.35 -0.13 0.00 0.00 178.44 179.30 1sx4 n THR 296 N -4.14 0.67 -3.59 1.05 -2.24 -0.38 -2.44 114.28 103.22 1sx4 n THR 296 Ca 0.01 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.70 1sx4 n THR 296 Cb 0.41 0.77 0.04 0.00 -2.10 0.00 0.00 70.33 69.46 1sx4 n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx4 n GLY 297 N 0.96 -0.52 3.94 3.38 0.00 0.17 -1.94 105.19 111.18 1sx4 n GLY 297 Ca 0.15 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.14 1.70 -0.17 -0.02 0.00 -0.55 -4.65 107.32 100.49 1sx4 s GLY 298 Ca 0.55 -1.55 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 1sx4 s GLY 298 CO 0.68 -1.46 0.04 -1.59 0.00 0.00 0.00 173.10 170.77 1sx4 s THR 299 N -2.24 4.62 0.00 0.90 2.01 0.16 -4.47 115.64 116.62 1sx4 s THR 299 Ca 0.44 -0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.08 1sx4 s THR 299 Cb -0.08 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1sx4 s THR 299 CO 0.30 0.48 0.86 -0.69 -0.69 0.00 0.00 174.62 174.87 1sx4 s VAL 300 N 0.27 4.85 -0.91 3.82 1.01 -1.26 -4.52 120.40 123.66 1sx4 s VAL 300 Ca 0.02 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.67 1sx4 s VAL 300 Cb -0.13 -4.20 0.21 0.00 0.00 0.00 0.00 36.38 32.26 1sx4 s VAL 300 CO 0.01 0.24 0.92 -0.63 0.00 0.00 0.00 175.10 175.64 1sx4 s ILE 301 N 0.63 5.49 -0.33 2.22 1.01 -0.90 -4.96 121.20 124.34 1sx4 s ILE 301 Ca 0.45 -2.47 -0.15 0.00 0.00 0.00 0.00 60.65 58.48 1sx4 s ILE 301 Cb -0.20 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.68 1sx4 s ILE 301 CO 0.25 -1.17 0.35 -0.94 0.00 0.00 0.00 174.94 173.42 1sx4 s SER 302 N 2.33 6.17 0.65 3.58 1.04 -1.26 -1.41 113.70 124.79 1sx4 s SER 302 Ca 0.24 -0.20 0.29 0.00 0.48 0.00 0.00 55.95 56.76 1sx4 s SER 302 Cb -0.09 -2.19 1.60 0.00 0.10 0.00 0.00 66.02 65.44 1sx4 s SER 302 CO -0.09 -0.31 1.89 -0.33 0.98 0.00 0.00 173.24 175.39 1sx4 h GLU 303 N 8.44 0.00 0.00 4.02 5.08 -1.74 -1.52 114.58 128.87 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 0.68 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.08 1sx4 n GLU 304 N -2.85 0.94 0.00 2.33 1.02 -1.26 -2.55 120.64 118.26 1sx4 n GLU 304 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1sx4 n GLU 304 Cb 0.37 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.57 0.00 -0.42 -3.67 5.41 -0.57 -5.04 119.36 114.49 1sx4 n ILE 305 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1sx4 n ILE 305 Cb 0.01 1.19 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 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 0.30 1.38 3.19 7.39 0.00 -1.06 -5.09 105.19 111.31 1sx4 n GLY 306 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.30 3.11 0.56 1.61 -1.94 -1.26 -5.07 119.30 115.02 1sx4 s MET 307 Ca 0.00 -0.77 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 1sx4 s MET 307 Cb 0.00 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 34.10 1sx4 s MET 307 CO 0.00 -0.22 0.82 -1.21 -0.01 0.00 0.00 175.02 174.40 1sx4 s GLU 308 N 1.36 2.73 0.03 2.03 2.02 -1.26 -4.24 118.70 121.36 1sx4 s GLU 308 Ca 0.05 -0.39 0.29 0.00 0.02 0.00 0.00 54.97 54.93 1sx4 s GLU 308 Cb -0.14 -2.39 1.18 0.00 0.10 0.00 0.00 34.13 32.88 1sx4 s GLU 308 CO -0.09 -0.68 1.91 1.28 0.02 0.00 0.00 175.26 177.70 1sx4 n LEU 309 N -2.44 0.11 0.19 1.80 4.77 -1.26 -2.77 117.00 117.40 1sx4 n LEU 309 Ca 0.05 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 1sx4 n LEU 309 Cb 0.59 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.57 1sx4 n LEU 309 CO 0.49 -0.03 0.71 -0.33 -1.33 0.00 0.00 177.39 176.91 1sx4 h GLU 310 N 0.00 0.00 -3.03 3.23 3.07 -1.90 -3.25 114.58 112.71 1sx4 h GLU 310 Ca 0.00 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.12 1sx4 h GLU 310 Cb 0.53 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.12 1sx4 h GLU 310 CO 0.00 0.38 0.24 1.63 -1.40 0.00 0.00 179.01 179.85 1sx4 n LYS 311 N -3.97 3.44 -3.46 2.33 5.02 -1.11 -4.89 118.16 115.52 1sx4 n LYS 311 Ca -0.02 -4.54 -0.09 0.00 -2.02 0.00 0.00 58.31 51.65 1sx4 n LYS 311 Cb 0.43 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 32.91 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 -2.06 -1.12 0.51 7.82 0.00 -1.23 -4.67 121.76 121.01 1sx4 s ALA 312 Ca 0.32 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.49 1sx4 s ALA 312 Cb 0.00 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1sx4 s ALA 312 CO -0.02 -1.08 0.66 0.95 0.00 0.00 0.00 175.76 176.28 1sx4 s THR 313 N 2.57 2.40 0.27 0.00 -4.23 -1.26 -4.33 115.64 111.06 1sx4 s THR 313 Ca 0.08 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1sx4 s THR 313 Cb -0.14 -2.47 0.27 0.00 1.34 0.00 0.00 72.50 71.50 1sx4 s THR 313 CO -0.15 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 175.55 1sx4 h LEU 314 N 0.43 0.15 -0.90 4.79 3.38 -1.95 0.59 115.31 121.81 1sx4 h LEU 314 Ca -0.34 0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1sx4 h LEU 314 Cb 1.29 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1sx4 h LEU 314 CO 0.45 -0.03 0.89 -0.08 0.09 0.00 0.00 178.44 179.76 1sx4 h GLU 315 N 0.33 0.00 0.11 1.13 4.81 -2.00 0.31 114.58 119.27 1sx4 h GLU 315 Ca 0.49 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.40 1sx4 h GLU 315 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1sx4 h GLU 315 CO -0.53 0.00 -1.68 -0.44 -0.73 0.00 0.00 179.01 175.62 1sx4 h ASP 316 N 0.00 0.36 -3.64 1.04 3.32 -1.25 -3.44 116.42 112.82 1sx4 h ASP 316 Ca 0.18 -0.59 -0.53 0.00 0.02 0.00 0.00 57.03 56.11 1sx4 h ASP 316 Cb 1.96 -0.12 0.07 0.00 0.22 0.00 0.00 39.33 41.47 1sx4 h ASP 316 CO -0.00 1.50 0.74 -0.76 -1.72 0.00 0.00 179.24 179.01 1sx4 s LEU 317 N -6.89 4.38 0.00 1.55 1.02 0.11 0.37 118.68 119.22 1sx4 s LEU 317 Ca -0.12 2.79 -0.18 0.00 0.02 0.00 0.00 54.13 56.64 1sx4 s LEU 317 Cb 0.07 -3.64 0.26 0.00 0.02 0.00 0.00 46.19 42.90 1sx4 s LEU 317 CO 0.83 -0.71 0.98 0.61 0.02 0.00 0.00 176.35 178.07 1sx4 n GLY 318 N 1.43 -2.65 3.63 -3.19 0.00 0.51 -4.56 105.19 100.36 1sx4 n GLY 318 Ca 0.04 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1sx4 n GLY 318 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sx4 s GLN 319 N -5.21 0.75 0.04 1.61 0.74 -0.82 0.17 119.66 116.93 1sx4 s GLN 319 Ca 0.63 1.15 -0.03 0.00 0.05 0.00 0.00 55.36 57.16 1sx4 s GLN 319 Cb -0.06 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.25 1sx4 s GLN 319 CO 0.48 -0.13 0.03 0.00 -0.55 0.00 0.00 175.29 175.11 1sx4 s ALA 320 N 1.24 0.18 -0.36 1.58 0.00 -1.17 -1.68 121.76 121.56 1sx4 s ALA 320 Ca -0.07 -0.81 0.27 0.00 0.00 0.00 0.00 51.96 51.35 1sx4 s ALA 320 Cb -0.05 0.25 0.92 0.00 0.00 0.00 0.00 23.12 24.24 1sx4 s ALA 320 CO -0.13 -0.32 1.78 0.87 0.00 0.00 0.00 175.76 177.96 1sx4 h LYS 321 N 3.60 0.00 -1.93 0.00 1.57 0.25 -3.18 116.57 116.88 1sx4 h LYS 321 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1sx4 h LYS 321 Cb 1.17 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1sx4 h LYS 321 CO 0.55 0.00 0.33 0.50 -0.57 0.00 0.00 179.45 180.26 1sx4 s ARG 322 N -3.35 0.90 -0.08 3.15 3.52 -0.88 -2.28 118.95 119.93 1sx4 s ARG 322 Ca 0.05 0.14 -0.09 0.00 -0.13 0.00 0.00 55.73 55.70 1sx4 s ARG 322 Cb 0.09 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1sx4 s ARG 322 CO 0.54 -0.30 0.25 0.14 -0.81 0.00 0.00 175.30 175.12 1sx4 s VAL 323 N -1.45 0.01 -0.09 7.11 -7.23 -1.04 -0.26 120.40 117.46 1sx4 s VAL 323 Ca -0.06 -0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1sx4 s VAL 323 Cb -0.00 -0.39 0.03 0.00 0.56 0.00 0.00 36.38 36.57 1sx4 s VAL 323 CO 0.04 -0.06 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.06 1sx4 s VAL 324 N -0.15 0.62 0.07 1.32 1.01 -0.62 -1.74 120.40 120.90 1sx4 s VAL 324 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1sx4 s VAL 324 Cb -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1sx4 s VAL 324 CO 0.01 0.28 -0.22 0.27 0.00 0.00 0.00 175.10 175.45 1sx4 s ILE 325 N 1.87 2.55 0.47 2.22 -4.36 -0.01 -1.83 121.20 122.12 1sx4 s ILE 325 Ca 0.05 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.07 1sx4 s ILE 325 Cb -0.13 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.53 1sx4 s ILE 325 CO -0.06 0.25 0.27 0.59 0.24 0.00 0.00 174.94 176.23 1sx4 n ASN 326 N 1.34 2.71 -0.31 4.36 3.02 0.29 -1.59 115.26 125.09 1sx4 n ASN 326 Ca -0.17 -2.73 0.21 0.00 -0.03 0.00 0.00 54.58 51.86 1sx4 n ASN 326 Cb 0.52 0.05 0.39 0.00 -0.61 0.00 0.00 39.78 40.13 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 -1.51 -0.06 -0.52 3.52 4.81 -1.26 -2.02 118.16 121.11 1sx4 n LYS 327 Ca -0.06 1.32 -0.00 0.00 -0.87 0.00 0.00 58.31 58.70 1sx4 n LYS 327 Cb 0.55 -2.22 -0.00 0.00 0.02 0.00 0.00 35.03 33.38 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 -5.22 0.00 -3.96 3.14 5.68 -1.26 -4.16 116.55 110.78 1sx4 n ASP 328 Ca 0.28 -1.55 -0.18 0.00 -0.50 0.00 0.00 54.79 52.83 1sx4 n ASP 328 Cb 0.92 -0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.14 2.12 2.01 -1.20 -3.36 115.64 115.63 1sx4 s THR 329 Ca 0.01 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1sx4 s THR 329 Cb 0.01 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 1sx4 s THR 329 CO -0.00 0.18 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.07 1sx4 s THR 330 N 0.21 2.75 -0.08 -0.82 2.01 -0.51 -0.55 115.64 118.65 1sx4 s THR 330 Ca -0.03 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 1sx4 s THR 330 Cb -0.07 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1sx4 s THR 330 CO -0.00 0.53 -0.05 0.28 -0.69 0.00 0.00 174.62 174.69 1sx4 s THR 331 N 0.53 0.72 -0.26 -0.82 -1.32 -0.76 -0.38 115.64 113.34 1sx4 s THR 331 Ca -0.10 -0.14 -0.08 0.00 -1.21 0.00 0.00 61.69 60.16 1sx4 s THR 331 Cb -0.16 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1sx4 s THR 331 CO 0.04 0.30 0.11 -0.63 -2.21 0.00 0.00 174.62 172.23 1sx4 s ILE 332 N 1.51 4.59 -0.22 5.08 1.01 0.35 -1.60 121.20 131.92 1sx4 s ILE 332 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1sx4 s ILE 332 Cb -0.13 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1sx4 s ILE 332 CO -0.04 0.30 -0.02 -0.63 0.00 0.00 0.00 174.94 174.54 1sx4 s ILE 333 N 1.65 3.54 -0.31 2.92 1.01 0.64 -2.23 121.20 128.42 1sx4 s ILE 333 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 1sx4 s ILE 333 Cb -0.15 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1sx4 s ILE 333 CO 0.06 0.41 0.13 -0.67 0.00 0.00 0.00 174.94 174.87 1sx4 n ASP 334 N 4.79 -7.62 -4.75 3.58 2.03 -0.63 -1.80 116.55 112.16 1sx4 n ASP 334 Ca -0.18 1.14 -0.39 0.00 0.52 0.00 0.00 54.79 55.89 1sx4 n ASP 334 Cb 0.51 -5.07 -0.05 0.00 -0.72 0.00 0.00 41.12 35.79 1sx4 n ASP 334 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sx4 s GLY 335 N -1.76 2.62 0.54 0.27 0.00 -0.83 -0.17 107.32 107.99 1sx4 s GLY 335 Ca 0.06 0.06 0.32 0.00 0.00 0.00 0.00 44.72 45.16 1sx4 s GLY 335 CO 0.73 0.87 1.96 -2.08 0.00 0.00 0.00 173.10 174.58 1sx4 h VAL 336 N 4.29 0.09 -1.47 1.40 2.07 -1.45 -3.46 116.25 117.72 1sx4 h VAL 336 Ca -0.44 -0.60 -0.72 0.00 0.82 0.00 0.00 66.70 65.76 1sx4 h VAL 336 Cb 1.20 1.54 0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1sx4 h VAL 336 CO 0.71 0.03 0.42 0.61 0.02 0.00 0.00 177.57 179.36 1sx4 n GLY 337 N 0.04 0.32 3.85 2.17 0.00 -1.02 -4.83 105.19 105.72 1sx4 n GLY 337 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 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 0.80 3.56 0.40 1.61 2.02 -1.26 -4.79 118.70 121.04 1sx4 s GLU 338 Ca 0.88 0.89 0.21 0.00 0.02 0.00 0.00 54.97 56.97 1sx4 s GLU 338 Cb -1.06 -2.08 0.73 0.00 0.10 0.00 0.00 34.13 31.82 1sx4 s GLU 338 CO 0.53 -0.60 1.75 0.93 0.02 0.00 0.00 175.26 177.88 1sx4 h GLU 339 N 0.04 0.00 -0.58 1.61 4.39 -1.96 -0.29 114.58 117.80 1sx4 h GLU 339 Ca -0.45 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.35 1sx4 h GLU 339 Cb 1.19 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 1sx4 h GLU 339 CO 0.60 0.30 0.15 0.00 -1.16 0.00 0.00 179.01 178.91 1sx4 h ALA 340 N 1.70 0.70 0.03 3.43 0.00 -2.00 -2.18 119.26 120.93 1sx4 h ALA 340 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sx4 h ALA 340 Cb 0.87 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sx4 h ALA 340 CO 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.01 1sx4 h ALA 341 N 1.43 -0.03 -0.89 0.00 0.00 -1.65 -3.09 119.26 115.03 1sx4 h ALA 341 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 341 Cb 0.40 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 341 CO -0.35 -0.12 0.59 0.82 0.00 0.00 0.00 179.25 180.19 1sx4 h ILE 342 N -0.83 1.20 -0.21 0.00 2.04 -1.07 0.29 117.51 118.93 1sx4 h ILE 342 Ca -0.00 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1sx4 h ILE 342 Cb 0.73 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1sx4 h ILE 342 CO 0.01 0.22 -0.14 -0.61 0.00 0.00 0.00 178.15 177.62 1sx4 h GLN 343 N 1.18 0.47 -0.91 2.37 5.75 -1.57 -2.84 115.11 119.56 1sx4 h GLN 343 Ca 0.34 -0.22 0.16 0.00 -0.15 0.00 0.00 58.65 58.77 1sx4 h GLN 343 Cb -0.09 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.36 1sx4 h GLN 343 CO -0.09 0.78 0.51 0.78 -2.65 0.00 0.00 178.83 178.16 1sx4 h GLY 344 N 0.17 1.53 1.00 2.39 0.00 -1.20 -1.00 103.07 105.96 1sx4 h GLY 344 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1sx4 h GLY 344 CO 0.04 -0.02 0.13 -0.09 0.00 0.00 0.00 176.54 176.60 1sx4 h ARG 345 N 0.71 0.89 -0.79 4.80 9.65 -0.98 -1.84 114.38 126.82 1sx4 h ARG 345 Ca 0.50 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1sx4 h ARG 345 Cb 0.70 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1sx4 h ARG 345 CO -0.36 0.84 0.47 0.28 2.80 0.00 0.00 179.97 184.00 1sx4 h VAL 346 N 0.79 1.22 -0.27 0.20 2.07 -1.01 -0.03 116.25 119.22 1sx4 h VAL 346 Ca 0.17 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1sx4 h VAL 346 Cb 0.36 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 346 CO 0.00 0.24 -0.16 0.00 0.02 0.00 0.00 177.57 177.67 1sx4 h ALA 347 N 1.42 1.23 0.68 1.67 0.00 -0.98 0.45 119.26 123.73 1sx4 h ALA 347 Ca 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 347 Cb -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sx4 h ALA 347 CO -0.05 0.50 -0.33 1.96 0.00 0.00 0.00 179.25 181.33 1sx4 h GLN 348 N 0.42 -0.88 -0.95 0.00 4.20 -0.48 -3.08 115.11 114.33 1sx4 h GLN 348 Ca 0.07 0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1sx4 h GLN 348 Cb 0.53 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 1sx4 h GLN 348 CO 0.03 -0.57 0.62 0.82 -0.67 0.00 0.00 178.83 179.07 1sx4 h ILE 349 N -1.18 1.21 -0.62 2.54 2.04 -0.96 -2.11 117.51 118.42 1sx4 h ILE 349 Ca -0.09 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.43 1sx4 h ILE 349 Cb 0.73 -0.15 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 1sx4 h ILE 349 CO 0.15 0.23 -0.44 -0.09 0.00 0.00 0.00 178.15 178.00 1sx4 h ARG 350 N 1.25 -0.20 -0.50 2.37 9.65 -0.16 -1.35 114.38 125.43 1sx4 h ARG 350 Ca 0.36 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.28 1sx4 h ARG 350 Cb -0.08 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 1sx4 h ARG 350 CO -0.10 -0.13 0.33 1.96 2.80 0.00 0.00 179.97 184.84 1sx4 h GLN 351 N -0.21 0.60 -0.01 0.20 4.20 -1.30 -1.89 115.11 116.71 1sx4 h GLN 351 Ca 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1sx4 h GLN 351 Cb 0.56 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1sx4 h GLN 351 CO -0.71 0.40 0.01 1.96 -0.67 0.00 0.00 178.83 179.81 1sx4 h GLN 352 N 0.62 0.00 0.00 1.46 4.20 -0.94 -0.67 115.11 119.78 1sx4 h GLN 352 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1sx4 h GLN 352 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1sx4 h GLN 352 CO -0.05 0.00 -0.35 0.82 -0.67 0.00 0.00 178.83 178.58 1sx4 h ILE 353 N 0.00 1.01 -0.18 2.54 2.04 -1.15 -3.02 117.51 118.74 1sx4 h ILE 353 Ca 0.00 -1.32 -0.12 0.00 1.00 0.00 0.00 64.86 64.42 1sx4 h ILE 353 Cb 0.02 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1sx4 h ILE 353 CO -0.00 0.35 -0.35 -0.33 0.00 0.00 0.00 178.15 177.82 1sx4 h GLU 354 N 0.00 0.56 -1.41 2.37 4.39 -1.21 -3.02 114.58 116.27 1sx4 h GLU 354 Ca -0.00 -0.36 -0.20 0.00 0.34 0.00 0.00 59.36 59.14 1sx4 h GLU 354 Cb 0.74 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.33 1sx4 h GLU 354 CO 0.05 0.97 0.26 0.39 -1.16 0.00 0.00 179.01 179.51 1sx4 n GLU 355 N -4.31 1.50 -3.57 2.33 1.02 -1.12 -4.82 120.64 111.68 1sx4 n GLU 355 Ca -0.06 -1.04 -0.36 0.00 -0.02 0.00 0.00 57.16 55.68 1sx4 n GLU 355 Cb 0.50 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.18 3.61 -0.43 0.62 0.00 -1.14 -4.96 121.76 118.26 1sx4 s ALA 356 Ca 0.20 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.69 1sx4 s ALA 356 Cb 0.16 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 1sx4 s ALA 356 CO 0.01 0.00 0.39 0.25 0.00 0.00 0.00 175.76 176.42 1sx4 n THR 357 N 3.78 0.00 -4.44 0.00 -2.24 -1.26 -5.02 114.28 105.10 1sx4 n THR 357 Ca -0.12 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 1sx4 n THR 357 Cb 0.52 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1sx4 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sx4 s SER 358 N -1.86 3.30 0.04 3.42 0.15 -1.26 -5.07 113.70 112.42 1sx4 s SER 358 Ca 0.03 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 55.53 1sx4 s SER 358 Cb 0.07 -0.25 -0.33 0.00 -1.71 0.00 0.00 66.02 63.80 1sx4 s SER 358 CO 0.37 -0.03 1.01 0.44 1.20 0.00 0.00 173.24 176.24 1sx4 h ASP 359 N 2.34 0.69 -0.07 5.45 3.32 -2.00 -3.04 116.42 123.11 1sx4 h ASP 359 Ca -0.40 -0.76 -0.06 0.00 0.02 0.00 0.00 57.03 55.83 1sx4 h ASP 359 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1sx4 h ASP 359 CO 0.61 1.60 -0.11 0.22 -1.72 0.00 0.00 179.24 179.84 1sx4 h TYR 360 N 0.12 0.40 0.00 4.55 3.20 -2.01 -1.72 116.97 121.52 1sx4 h TYR 360 Ca -0.23 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1sx4 h TYR 360 Cb 2.10 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.26 1sx4 h TYR 360 CO 0.10 0.49 0.00 -0.44 -1.64 0.00 0.00 178.16 176.68 1sx4 h ASP 361 N 0.36 0.00 0.01 -2.11 5.19 -1.99 -3.12 116.42 114.76 1sx4 h ASP 361 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1sx4 h ASP 361 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1sx4 h ASP 361 CO 0.02 0.00 -0.00 -0.09 -3.12 0.00 0.00 179.24 176.05 1sx4 h ARG 362 N 0.00 -0.01 -1.01 3.56 2.43 -1.20 -3.27 114.38 114.88 1sx4 h ARG 362 Ca 0.00 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 1sx4 h ARG 362 Cb 0.51 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 1sx4 h ARG 362 CO 0.00 -0.01 0.63 1.05 -1.51 0.00 0.00 179.97 180.13 1sx4 h GLU 363 N -0.23 0.51 0.00 0.20 9.09 -1.56 0.40 114.58 122.98 1sx4 h GLU 363 Ca -0.00 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 1sx4 h GLU 363 Cb 0.01 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 26.99 1sx4 h GLU 363 CO 0.00 0.34 -0.17 0.87 0.05 0.00 0.00 179.01 180.10 1sx4 h LYS 364 N 0.52 0.00 0.01 1.06 1.79 -1.72 0.74 116.57 118.97 1sx4 h LYS 364 Ca 0.58 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.80 1sx4 h LYS 364 Cb 1.25 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1sx4 h LYS 364 CO -0.33 0.17 -1.35 -0.07 -1.08 0.00 0.00 179.45 176.79 1sx4 h LEU 365 N 0.00 0.02 0.00 2.94 3.38 -0.30 -3.26 115.31 118.09 1sx4 h LEU 365 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sx4 h LEU 365 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1sx4 h LEU 365 CO 0.02 1.03 -0.42 1.56 0.09 0.00 0.00 178.44 180.72 1sx4 h GLN 366 N 0.00 0.00 0.00 1.13 4.20 -0.94 -0.61 115.11 118.89 1sx4 h GLN 366 Ca -0.15 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1sx4 h GLN 366 Cb 1.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1sx4 h GLN 366 CO 0.11 0.36 -0.35 0.93 -0.67 0.00 0.00 178.83 179.20 1sx4 h GLU 367 N 0.00 0.00 0.07 1.46 5.08 -1.00 -1.74 114.58 118.46 1sx4 h GLU 367 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1sx4 h GLU 367 Cb 1.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 1sx4 h GLU 367 CO 0.05 0.35 -0.44 0.00 -1.00 0.00 0.00 179.01 177.97 1sx4 h ARG 368 N 0.00 0.15 -0.71 2.33 3.08 -1.55 -2.12 114.38 115.56 1sx4 h ARG 368 Ca -0.00 -0.26 0.10 0.00 0.07 0.00 0.00 59.98 59.88 1sx4 h ARG 368 Cb 0.92 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 1sx4 h ARG 368 CO 0.05 1.13 0.47 -0.39 -1.07 0.00 0.00 179.97 180.15 1sx4 h VAL 369 N -0.68 0.93 0.25 2.04 -1.51 -1.14 -2.84 116.25 113.31 1sx4 h VAL 369 Ca -0.08 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1sx4 h VAL 369 Cb 1.34 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1sx4 h VAL 369 CO 0.07 0.11 -0.12 0.00 -1.23 0.00 0.00 177.57 176.40 1sx4 h ALA 370 N 1.64 -0.82 -0.97 5.19 0.00 -1.33 -1.93 119.26 121.03 1sx4 h ALA 370 Ca 0.32 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.47 1sx4 h ALA 370 Cb 0.48 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.24 1sx4 h ALA 370 CO -0.11 -0.80 0.26 0.87 0.00 0.00 0.00 179.25 179.47 1sx4 h LYS 371 N -0.43 0.07 0.00 0.00 1.57 -1.35 0.76 116.57 117.19 1sx4 h LYS 371 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1sx4 h LYS 371 Cb 0.26 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1sx4 h LYS 371 CO 0.06 0.05 -0.15 1.25 -0.57 0.00 0.00 179.45 180.08 1sx4 h LEU 372 N 0.07 0.00 0.00 2.94 5.85 -1.48 -3.28 115.31 119.41 1sx4 h LEU 372 Ca 0.67 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1sx4 h LEU 372 Cb 1.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1sx4 h LEU 372 CO -0.80 0.80 -0.12 0.00 -0.34 0.00 0.00 178.44 177.98 1sx4 h ALA 373 N -0.57 0.94 -0.18 1.25 0.00 -1.36 -3.37 119.26 115.96 1sx4 h ALA 373 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1sx4 h ALA 373 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sx4 h ALA 373 CO -0.02 0.00 -0.44 0.78 0.00 0.00 0.00 179.25 179.57 1sx4 h GLY 374 N 4.02 0.49 -0.30 0.00 0.00 -0.97 -3.49 103.07 102.81 1sx4 h GLY 374 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.87 1sx4 h GLY 374 CO 0.00 0.45 -0.06 0.61 0.00 0.00 0.00 176.54 177.54 1sx4 n GLY 375 N 0.00 -1.54 2.98 4.60 0.00 -1.24 -4.93 105.19 105.07 1sx4 n GLY 375 Ca -0.02 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.43 1.00 -0.30 1.61 1.01 -0.62 -4.21 120.40 117.46 1sx4 s VAL 376 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1sx4 s VAL 376 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1sx4 s VAL 376 CO 0.00 0.33 0.34 0.00 0.00 0.00 0.00 175.10 175.77 1sx4 s ALA 377 N 0.90 3.53 -0.18 5.51 0.00 0.22 -2.12 121.76 129.62 1sx4 s ALA 377 Ca -0.10 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1sx4 s ALA 377 Cb -0.15 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1sx4 s ALA 377 CO 0.01 -0.81 0.07 0.14 0.00 0.00 0.00 175.76 175.16 1sx4 s VAL 378 N 1.99 4.86 -0.25 0.00 -7.23 0.38 -1.36 120.40 118.79 1sx4 s VAL 378 Ca 0.12 -0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.18 1sx4 s VAL 378 Cb -0.16 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 1sx4 s VAL 378 CO 0.11 0.46 0.16 -0.63 -0.31 0.00 0.00 175.10 174.89 1sx4 s ILE 379 N 0.32 5.23 -0.27 -0.62 1.01 0.67 -1.81 121.20 125.74 1sx4 s ILE 379 Ca 0.04 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 1sx4 s ILE 379 Cb -0.12 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1sx4 s ILE 379 CO -0.00 0.31 0.22 -0.54 0.00 0.00 0.00 174.94 174.93 1sx4 s LYS 380 N 1.35 3.99 -0.38 2.79 1.02 -0.18 -0.79 119.74 127.55 1sx4 s LYS 380 Ca 0.07 -0.25 -0.24 0.00 0.02 0.00 0.00 55.97 55.57 1sx4 s LYS 380 Cb -0.15 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1sx4 s LYS 380 CO 0.07 -0.15 0.85 0.08 -0.92 0.00 0.00 175.35 175.28 1sx4 s VAL 381 N 1.66 4.65 0.22 3.17 1.01 -1.01 -2.06 120.40 128.04 1sx4 s VAL 381 Ca 0.08 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1sx4 s VAL 381 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1sx4 s VAL 381 CO 0.10 -0.52 0.42 -0.83 0.00 0.00 0.00 175.10 174.27 1sx4 s GLY 382 N 1.90 1.79 0.18 4.51 0.00 -1.25 -1.71 107.32 112.75 1sx4 s GLY 382 Ca 0.34 -0.79 -0.23 0.00 0.00 0.00 0.00 44.72 44.05 1sx4 s GLY 382 CO 0.19 -0.73 1.01 0.00 0.00 0.00 0.00 173.10 173.56 1sx4 s ALA 383 N -1.91 -1.58 -0.12 3.20 0.00 -1.23 -4.72 121.76 115.41 1sx4 s ALA 383 Ca 0.39 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1sx4 s ALA 383 Cb -0.11 0.71 -0.16 0.00 0.00 0.00 0.00 23.12 23.56 1sx4 s ALA 383 CO 0.29 -1.05 0.53 0.00 0.00 0.00 0.00 175.76 175.53 1sx4 h ALA 384 N 2.00 -0.02 -2.47 0.00 0.00 -1.87 -3.37 119.26 113.53 1sx4 h ALA 384 Ca -0.27 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 1sx4 h ALA 384 Cb 1.22 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 384 CO 0.33 -0.03 -0.67 -0.08 0.00 0.00 0.00 179.25 178.79 1sx4 s THR 385 N -2.14 3.34 0.23 0.00 -1.32 -1.26 -5.03 115.64 109.45 1sx4 s THR 385 Ca -0.12 -1.84 -0.07 0.00 -1.21 0.00 0.00 61.69 58.46 1sx4 s THR 385 Cb -0.02 -2.74 0.18 0.00 -1.51 0.00 0.00 72.50 68.42 1sx4 s THR 385 CO 0.44 -0.29 1.74 -0.08 -2.21 0.00 0.00 174.62 174.22 1sx4 h GLU 386 N 2.25 0.42 0.74 7.08 4.81 -1.99 -0.39 114.58 127.49 1sx4 h GLU 386 Ca -0.45 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1sx4 h GLU 386 Cb 1.23 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.53 1sx4 h GLU 386 CO 0.58 0.28 -0.36 0.28 -0.73 0.00 0.00 179.01 179.07 1sx4 h VAL 387 N 0.43 0.26 -0.76 0.32 2.07 -1.98 -2.01 116.25 114.58 1sx4 h VAL 387 Ca 0.36 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.99 1sx4 h VAL 387 Cb 0.50 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 30.40 1sx4 h VAL 387 CO -0.36 0.00 -0.19 -0.08 0.02 0.00 0.00 177.57 176.97 1sx4 h GLU 388 N -1.03 0.00 0.88 1.57 4.81 -1.95 -1.13 114.58 117.74 1sx4 h GLU 388 Ca -0.10 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1sx4 h GLU 388 Cb 0.77 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1sx4 h GLU 388 CO 0.17 0.00 -0.48 1.98 -0.73 0.00 0.00 179.01 179.95 1sx4 h MET 389 N 0.00 -1.21 0.00 1.92 4.05 -0.84 0.96 114.93 119.81 1sx4 h MET 389 Ca 0.37 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 1sx4 h MET 389 Cb 0.56 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1sx4 h MET 389 CO -0.78 -0.81 0.00 1.63 0.23 0.00 0.00 176.91 177.18 1sx4 n LYS 390 N -5.55 0.78 -0.09 0.39 5.02 -0.78 0.76 118.16 118.69 1sx4 n LYS 390 Ca -0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.97 1sx4 n LYS 390 Cb 0.51 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.47 1.97 4.22 -0.44 -3.28 114.58 116.58 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 0.75 0.13 -0.22 -2.18 0.00 0.00 179.01 177.49 1sx4 h LYS 392 N -1.00 0.27 -0.99 1.92 3.64 0.15 -0.45 116.57 120.11 1sx4 h LYS 392 Ca -0.22 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.33 1sx4 h LYS 392 Cb 1.05 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.70 1sx4 h LYS 392 CO -0.13 0.18 0.61 -0.22 -2.27 0.00 0.00 179.45 177.62 1sx4 h LYS 393 N 0.28 0.70 -0.37 1.90 3.64 0.14 -1.02 116.57 121.84 1sx4 h LYS 393 Ca 0.23 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1sx4 h LYS 393 Cb 0.27 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1sx4 h LYS 393 CO -0.27 0.46 0.05 0.00 -2.27 0.00 0.00 179.45 177.43 1sx4 h ALA 394 N 1.63 0.50 0.00 5.00 0.00 -1.16 -2.83 119.26 122.40 1sx4 h ALA 394 Ca 0.56 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1sx4 h ALA 394 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1sx4 h ALA 394 CO -0.34 0.22 -0.40 0.00 0.00 0.00 0.00 179.25 178.73 1sx4 h ARG 395 N 0.47 0.00 -0.33 0.00 3.08 -0.66 -1.88 114.38 115.05 1sx4 h ARG 395 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1sx4 h ARG 395 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1sx4 h ARG 395 CO 0.01 0.40 0.05 0.28 -1.07 0.00 0.00 179.97 179.64 1sx4 h VAL 396 N 0.00 1.24 -0.27 2.04 2.07 -1.17 0.85 116.25 121.00 1sx4 h VAL 396 Ca -0.00 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1sx4 h VAL 396 Cb 0.89 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1sx4 h VAL 396 CO 0.05 0.27 -0.10 -0.33 0.02 0.00 0.00 177.57 177.49 1sx4 h GLU 397 N 0.37 0.44 -0.00 1.57 5.08 -1.26 -0.41 114.58 120.38 1sx4 h GLU 397 Ca 0.10 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sx4 h GLU 397 Cb 0.35 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1sx4 h GLU 397 CO 0.01 0.55 0.00 -0.44 -1.00 0.00 0.00 179.01 178.12 1sx4 h ASP 398 N 0.42 0.00 0.12 1.42 3.32 -0.88 -2.01 116.42 118.81 1sx4 h ASP 398 Ca 0.08 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sx4 h ASP 398 Cb 0.43 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1sx4 h ASP 398 CO 0.02 0.10 -0.06 0.00 -1.72 0.00 0.00 179.24 177.59 1sx4 h ALA 399 N 0.90 -0.15 -0.84 3.45 0.00 -0.69 -1.90 119.26 120.02 1sx4 h ALA 399 Ca 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1sx4 h ALA 399 Cb 0.10 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 1sx4 h ALA 399 CO -0.00 -0.46 -0.19 1.25 0.00 0.00 0.00 179.25 179.85 1sx4 h LEU 400 N -0.41 -0.75 -0.15 0.00 5.85 -1.09 0.36 115.31 119.12 1sx4 h LEU 400 Ca -0.02 0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1sx4 h LEU 400 Cb 0.33 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1sx4 h LEU 400 CO 0.03 -0.28 -0.19 0.45 -0.34 0.00 0.00 178.44 178.12 1sx4 h HIS 401 N 0.01 -0.48 0.00 1.25 3.86 -0.92 -0.97 115.15 117.89 1sx4 h HIS 401 Ca 0.41 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.62 1sx4 h HIS 401 Cb 0.64 0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1sx4 h HIS 401 CO -0.64 -0.26 -0.13 0.00 0.86 0.00 0.00 177.93 177.75 1sx4 h ALA 402 N 0.82 1.02 0.14 2.45 0.00 0.34 -2.56 119.26 121.47 1sx4 h ALA 402 Ca 0.11 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1sx4 h ALA 402 Cb 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 402 CO -0.29 0.17 -1.02 1.15 0.00 0.00 0.00 179.25 179.27 1sx4 h THR 403 N 0.00 1.37 -0.44 0.00 2.02 -0.32 0.16 112.91 115.69 1sx4 h THR 403 Ca -0.00 -2.51 0.06 0.00 0.77 0.00 0.00 66.41 64.73 1sx4 h THR 403 Cb 0.66 3.06 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1sx4 h THR 403 CO 0.02 0.72 0.30 0.03 0.37 0.00 0.00 175.52 176.95 1sx4 h ARG 404 N -0.33 0.34 0.02 6.66 3.08 -1.09 0.86 114.38 123.92 1sx4 h ARG 404 Ca -0.19 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 1sx4 h ARG 404 Cb 1.70 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.69 1sx4 h ARG 404 CO 0.13 0.22 -0.47 0.00 -1.07 0.00 0.00 179.97 178.78 1sx4 h ALA 405 N 1.76 0.03 -0.88 0.04 0.00 -1.41 -3.12 119.26 115.68 1sx4 h ALA 405 Ca 0.19 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 405 Cb 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 405 CO -0.04 0.24 0.56 0.00 0.00 0.00 0.00 179.25 180.00 1sx4 h ALA 406 N 0.24 1.20 0.27 0.00 0.00 0.24 -2.48 119.26 118.72 1sx4 h ALA 406 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 406 Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1sx4 h ALA 406 CO 0.09 0.36 -0.38 0.28 0.00 0.00 0.00 179.25 179.60 1sx4 h VAL 407 N 1.06 0.22 -0.39 0.00 2.07 -0.90 0.80 116.25 119.10 1sx4 h VAL 407 Ca 0.37 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.94 1sx4 h VAL 407 Cb 0.09 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 1sx4 h VAL 407 CO -0.15 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.23 1sx4 h GLU 408 N -0.71 0.26 0.00 1.57 5.08 -1.39 -3.33 114.58 116.06 1sx4 h GLU 408 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sx4 h GLU 408 Cb 0.68 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1sx4 h GLU 408 CO -0.13 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 1sx4 n GLU 409 N -5.04 0.77 0.00 2.33 1.02 -1.00 -5.04 120.64 113.68 1sx4 n GLU 409 Ca 0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1sx4 n GLU 409 Cb 0.15 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.16 -2.37 3.51 0.62 0.00 0.28 -4.40 105.19 102.67 1sx4 n GLY 410 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.46 2.51 0.29 1.61 -7.23 -0.36 0.16 120.40 116.94 1sx4 s VAL 411 Ca 0.00 -2.29 -0.04 0.00 -1.81 0.00 0.00 61.98 57.85 1sx4 s VAL 411 Cb 0.00 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1sx4 s VAL 411 CO 0.00 -0.34 0.39 0.68 -0.31 0.00 0.00 175.10 175.52 1sx4 s VAL 412 N -2.52 0.00 -0.14 1.32 -7.23 -0.26 -1.55 120.40 110.01 1sx4 s VAL 412 Ca 0.31 -1.67 -0.33 0.00 -1.81 0.00 0.00 61.98 58.47 1sx4 s VAL 412 Cb -0.03 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.31 1sx4 s VAL 412 CO 0.16 0.00 1.98 0.00 -0.31 0.00 0.00 175.10 176.93 1sx4 n ALA 413 N -0.47 1.04 1.31 1.32 0.00 -1.26 -1.43 120.51 121.03 1sx4 n ALA 413 Ca 0.01 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.75 1sx4 n ALA 413 Cb 0.63 -2.57 0.52 0.00 0.00 0.00 0.00 19.45 18.03 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 4.90 -0.88 1.20 0.00 0.00 0.10 -1.72 105.19 108.78 1sx4 n GLY 414 Ca 0.26 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.32 2.20 0.82 -0.02 0.00 -1.26 -4.69 105.19 103.56 1sx4 n GLY 415 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.36 2.73 0.09 -0.02 0.00 -1.26 -4.34 105.19 102.75 1sx4 n GLY 416 Ca 0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.15 -0.26 1.61 0.31 -1.26 -0.20 118.33 118.38 1sx4 n VAL 417 Ca 0.00 0.54 -0.03 0.00 -0.01 0.00 0.00 64.34 64.85 1sx4 n VAL 417 Cb 0.00 -0.67 0.03 0.00 -0.91 0.00 0.00 33.84 32.29 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 0.10 0.13 -0.62 3.52 0.00 -1.70 0.17 119.26 120.86 1sx4 h ALA 418 Ca 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1sx4 h ALA 418 Cb 0.09 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1sx4 h ALA 418 CO -0.20 -0.60 0.33 -0.07 0.00 0.00 0.00 179.25 178.70 1sx4 h LEU 419 N -0.09 0.79 -1.55 0.00 -0.00 -0.87 -1.07 115.31 112.51 1sx4 h LEU 419 Ca 0.29 -0.10 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1sx4 h LEU 419 Cb 0.57 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1sx4 h LEU 419 CO -0.78 0.67 0.31 0.40 -0.00 0.00 0.00 178.44 179.03 1sx4 h ILE 420 N 0.85 1.10 0.22 1.22 1.08 -0.63 -2.24 117.51 119.11 1sx4 h ILE 420 Ca 0.22 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1sx4 h ILE 420 Cb 0.06 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1sx4 h ILE 420 CO -0.03 0.11 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.34 1sx4 h ARG 421 N 0.61 -0.28 -0.67 2.37 9.65 0.41 -2.74 114.38 123.73 1sx4 h ARG 421 Ca 0.17 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.15 1sx4 h ARG 421 Cb -0.04 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1sx4 h ARG 421 CO -0.04 0.09 0.44 -0.39 2.80 0.00 0.00 179.97 182.87 1sx4 h VAL 422 N -0.91 0.98 -0.20 0.20 -1.51 -1.09 -1.58 116.25 112.13 1sx4 h VAL 422 Ca -0.03 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1sx4 h VAL 422 Cb 0.50 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1sx4 h VAL 422 CO 0.05 0.11 0.04 0.00 -1.23 0.00 0.00 177.57 176.54 1sx4 h ALA 423 N 1.65 0.27 0.00 5.19 0.00 -1.40 -2.55 119.26 122.42 1sx4 h ALA 423 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sx4 h ALA 423 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sx4 h ALA 423 CO -0.10 -0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.75 1sx4 h SER 424 N 0.14 0.00 0.43 0.00 4.64 -1.05 -3.09 113.55 114.62 1sx4 h SER 424 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1sx4 h SER 424 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1sx4 h SER 424 CO 0.00 0.00 -0.21 0.11 -0.87 0.00 0.00 176.83 175.87 1sx4 h LYS 425 N 0.00 -0.55 -2.38 4.77 1.57 -0.91 -3.35 116.57 115.71 1sx4 h LYS 425 Ca 0.00 0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 58.22 1sx4 h LYS 425 Cb 0.32 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.63 1sx4 h LYS 425 CO 0.00 -0.37 1.60 1.47 -0.57 0.00 0.00 179.45 181.58 1sx4 n LEU 426 N -4.71 7.31 -1.91 2.94 -0.00 -1.06 -4.42 117.00 115.15 1sx4 n LEU 426 Ca -0.07 -4.39 0.06 0.00 -0.00 0.00 0.00 56.01 51.62 1sx4 n LEU 426 Cb 0.23 -1.34 0.40 0.00 -0.00 0.00 0.00 43.42 42.71 1sx4 n LEU 426 CO 0.17 1.92 0.89 0.00 -0.00 0.00 0.00 177.39 180.37 1sx4 n ALA 427 N 1.70 3.94 -0.03 1.47 0.00 -1.24 -3.23 120.51 123.12 1sx4 n ALA 427 Ca 0.58 -1.95 0.05 0.00 0.00 0.00 0.00 53.44 52.11 1sx4 n ALA 427 Cb 0.42 -1.13 -0.14 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 0.59 0.81 -4.32 0.00 8.00 -1.26 -5.06 116.55 115.31 1sx4 n ASP 428 Ca 0.29 0.00 -0.53 0.00 0.71 0.00 0.00 54.79 55.26 1sx4 n ASP 428 Cb 1.22 1.60 -0.06 0.00 -0.02 0.00 0.00 41.12 43.86 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sx4 n LEU 429 N -2.26 -0.47 -4.51 0.64 7.94 -1.20 -4.96 117.00 112.17 1sx4 n LEU 429 Ca -0.10 1.11 -0.24 0.00 -1.11 0.00 0.00 56.01 55.67 1sx4 n LEU 429 Cb 0.62 -0.90 -0.11 0.00 0.53 0.00 0.00 43.42 43.57 1sx4 n LEU 429 CO 0.38 -2.25 -0.35 -0.13 -1.11 0.00 0.00 177.39 173.93 1sx4 s ARG 430 N -0.37 1.74 0.00 1.96 1.81 -1.26 -4.99 118.95 117.84 1sx4 s ARG 430 Ca 0.78 -1.92 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 1sx4 s ARG 430 Cb -1.10 -1.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 1sx4 s ARG 430 CO 0.55 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.62 1sx4 n GLY 431 N -0.75 5.38 0.60 -3.53 0.00 -1.26 -4.99 105.19 100.64 1sx4 n GLY 431 Ca -0.05 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 0.27 -1.88 1.61 3.00 -1.26 -4.89 117.38 114.22 1sx4 n GLN 432 Ca 0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1sx4 n GLN 432 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 30.24 29.27 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 -6.10 6.50 0.13 1.08 3.04 -1.26 -4.81 114.94 113.53 1sx4 s ASN 433 Ca -0.17 2.81 0.07 0.00 0.04 0.00 0.00 52.86 55.61 1sx4 s ASN 433 Cb 0.05 -2.62 0.38 0.00 -1.54 0.00 0.00 41.25 37.52 1sx4 s ASN 433 CO 0.22 -0.83 1.13 -1.84 -3.04 0.00 0.00 177.10 172.74 1sx4 n GLU 434 N 2.50 0.05 0.10 0.43 0.28 -1.26 0.44 120.64 123.18 1sx4 n GLU 434 Ca 0.09 0.48 -0.04 0.00 -0.16 0.00 0.00 57.16 57.52 1sx4 n GLU 434 Cb 0.38 -1.78 0.11 0.00 1.43 0.00 0.00 31.44 31.58 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 0.15 0.74 -1.84 3.32 -1.95 -2.90 116.42 113.94 1sx4 h ASP 435 Ca 0.00 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 1sx4 h ASP 435 Cb 0.25 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1sx4 h ASP 435 CO 0.00 0.78 -0.94 1.56 -1.72 0.00 0.00 179.24 178.92 1sx4 h GLN 436 N 0.09 0.11 -0.05 3.56 4.20 -0.21 -2.47 115.11 120.35 1sx4 h GLN 436 Ca -0.01 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.59 1sx4 h GLN 436 Cb 1.20 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1sx4 h GLN 436 CO 0.10 0.97 -0.26 -0.91 -0.67 0.00 0.00 178.83 178.05 1sx4 h ASN 437 N 0.05 -0.78 -0.88 1.46 2.35 -1.51 0.36 115.58 116.63 1sx4 h ASN 437 Ca -0.04 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.97 1sx4 h ASN 437 Cb 1.62 0.33 -0.09 0.00 0.05 0.00 0.00 38.32 40.22 1sx4 h ASN 437 CO 0.14 -0.32 0.47 0.58 -1.65 0.00 0.00 177.43 176.65 1sx4 h VAL 438 N -0.37 0.74 0.27 2.81 2.07 -1.45 0.25 116.25 120.56 1sx4 h VAL 438 Ca 0.08 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sx4 h VAL 438 Cb 0.48 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1sx4 h VAL 438 CO -0.26 0.12 -0.28 1.23 0.02 0.00 0.00 177.57 178.40 1sx4 h GLY 439 N 0.67 -0.63 0.78 2.17 0.00 -0.66 0.39 103.07 105.79 1sx4 h GLY 439 Ca 0.48 0.32 0.04 0.00 0.00 0.00 0.00 47.33 48.17 1sx4 h GLY 439 CO -0.36 -0.25 0.32 -2.22 0.00 0.00 0.00 176.54 174.03 1sx4 h ILE 440 N -0.59 1.01 0.90 2.60 2.04 0.81 -2.28 117.51 121.98 1sx4 h ILE 440 Ca -0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1sx4 h ILE 440 Cb 0.55 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1sx4 h ILE 440 CO -0.07 0.11 -0.43 0.11 0.00 0.00 0.00 178.15 177.88 1sx4 h LYS 441 N 0.62 -1.16 -0.56 2.37 1.57 0.18 0.16 116.57 119.74 1sx4 h LYS 441 Ca 0.24 0.08 0.08 0.00 -1.87 0.00 0.00 60.65 59.18 1sx4 h LYS 441 Cb 0.10 0.26 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 1sx4 h LYS 441 CO -0.14 -0.77 -0.24 0.28 -0.57 0.00 0.00 179.45 178.01 1sx4 n VAL 442 N -5.58 -0.31 -0.05 0.50 0.31 0.13 -0.85 118.33 112.48 1sx4 n VAL 442 Ca -0.15 1.33 -0.12 0.00 -0.01 0.00 0.00 64.34 65.39 1sx4 n VAL 442 Cb 0.48 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 1sx4 n VAL 442 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sx4 h ALA 443 N 0.70 0.21 -0.18 3.52 0.00 -1.11 -2.30 119.26 120.10 1sx4 h ALA 443 Ca 0.18 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1sx4 h ALA 443 Cb 0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1sx4 h ALA 443 CO -0.56 -0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.46 1sx4 h LEU 444 N 0.00 -0.41 -1.10 0.00 3.38 0.86 -1.76 115.31 116.28 1sx4 h LEU 444 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1sx4 h LEU 444 Cb 0.45 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sx4 h LEU 444 CO 0.01 -0.17 0.00 -0.09 0.09 0.00 0.00 178.44 178.29 1sx4 h ARG 445 N -0.13 0.00 0.00 1.13 2.43 -0.97 -0.57 114.38 116.28 1sx4 h ARG 445 Ca 0.11 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1sx4 h ARG 445 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1sx4 h ARG 445 CO -0.26 0.00 -0.30 0.00 -1.51 0.00 0.00 179.97 177.90 1sx4 h ALA 446 N 2.11 0.86 0.00 2.80 0.00 -0.73 -3.08 119.26 121.22 1sx4 h ALA 446 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sx4 h ALA 446 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sx4 h ALA 446 CO 0.00 0.37 0.00 0.52 0.00 0.00 0.00 179.25 180.14 1sx4 h MET 447 N 0.00 0.00 -0.00 0.00 2.86 -0.72 -2.57 114.93 114.50 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 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1sx4 h MET 447 CO 0.04 0.00 -0.01 0.39 1.06 0.00 0.00 176.91 178.39 1sx4 n GLU 448 N -2.90 0.32 0.03 1.72 1.02 -1.16 -4.01 120.64 115.66 1sx4 n GLU 448 Ca 0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1sx4 n GLU 448 Cb 0.32 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 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 3.32 0.03 0.33 0.62 0.00 -1.61 0.10 119.26 122.04 1sx4 h ALA 449 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sx4 h ALA 449 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sx4 h ALA 449 CO 0.00 -0.48 -0.17 -1.35 0.00 0.00 0.00 179.25 177.25 1sx4 h PRO 450 N 0.03 -0.45 0.22 0.00 0.11 -1.80 -0.69 132.00 129.43 1sx4 h PRO 450 Ca 0.01 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.16 1sx4 h PRO 450 Cb -0.00 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 1sx4 h PRO 450 CO -0.00 -0.30 -0.44 1.25 -0.21 0.00 0.00 178.00 178.30 1sx4 h LEU 451 N -0.46 -1.28 -0.95 2.35 5.85 -1.70 0.28 115.31 119.40 1sx4 h LEU 451 Ca -0.04 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.09 1sx4 h LEU 451 Cb 0.37 0.46 -0.17 0.00 0.37 0.00 0.00 40.66 41.69 1sx4 h LEU 451 CO 0.06 -0.54 0.20 0.03 -0.34 0.00 0.00 178.44 177.85 1sx4 h ARG 452 N -0.75 0.08 0.13 1.25 3.08 -0.62 0.43 114.38 117.99 1sx4 h ARG 452 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1sx4 h ARG 452 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1sx4 h ARG 452 CO -0.19 0.06 -0.06 0.37 -1.07 0.00 0.00 179.97 179.07 1sx4 h GLN 453 N 0.09 -0.17 -0.25 0.04 5.75 -0.07 -1.75 115.11 118.74 1sx4 h GLN 453 Ca 0.62 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 59.20 1sx4 h GLN 453 Cb 1.36 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.87 1sx4 h GLN 453 CO -0.79 0.19 -0.33 0.82 -2.65 0.00 0.00 178.83 176.08 1sx4 h ILE 454 N -0.58 0.26 -0.84 2.39 1.08 0.16 0.10 117.51 120.08 1sx4 h ILE 454 Ca -0.02 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.67 1sx4 h ILE 454 Cb 0.45 0.26 -0.14 0.00 -3.07 0.00 0.00 36.82 34.32 1sx4 h ILE 454 CO 0.03 0.00 0.18 0.58 -0.69 0.00 0.00 178.15 178.25 1sx4 h VAL 455 N -0.33 0.34 -0.07 1.67 2.07 -1.18 -1.69 116.25 117.05 1sx4 h VAL 455 Ca 0.13 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1sx4 h VAL 455 Cb 0.54 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1sx4 h VAL 455 CO -0.43 0.04 -0.03 0.25 0.02 0.00 0.00 177.57 177.41 1sx4 h LEU 456 N 0.20 0.14 -1.45 2.57 5.85 0.11 -2.48 115.31 120.25 1sx4 h LEU 456 Ca 0.51 -0.41 0.18 0.00 0.84 0.00 0.00 57.88 59.00 1sx4 h LEU 456 Cb 0.99 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1sx4 h LEU 456 CO -0.64 0.52 0.57 0.78 -0.34 0.00 0.00 178.44 179.33 1sx4 h ASN 457 N -0.23 0.48 0.69 1.25 2.35 -1.01 0.42 115.58 119.52 1sx4 h ASN 457 Ca 0.02 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1sx4 h ASN 457 Cb 0.46 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1sx4 h ASN 457 CO 0.01 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1sx4 n GLY 459 N -0.30 0.81 3.91 0.00 0.00 0.15 -5.05 105.19 104.70 1sx4 n GLY 459 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.28 1.21 -0.04 1.61 0.41 -0.97 -5.01 118.70 115.62 1sx4 s GLU 460 Ca 0.00 -0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 54.14 1sx4 s GLU 460 Cb 0.00 -1.89 -0.03 0.00 -1.78 0.00 0.00 34.13 30.43 1sx4 s GLU 460 CO 0.00 -2.07 0.84 -1.21 -0.49 0.00 0.00 175.26 172.33 1sx4 s GLU 461 N -5.73 4.49 0.00 1.61 0.41 -1.26 -4.08 118.70 114.14 1sx4 s GLU 461 Ca 0.68 1.14 0.00 0.00 -0.41 0.00 0.00 54.97 56.39 1sx4 s GLU 461 Cb -0.07 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1sx4 s GLU 461 CO 0.51 -0.01 0.03 -2.30 -0.49 0.00 0.00 175.26 173.00 1sx4 n PRO 462 N 3.93 0.00 0.00 0.39 -0.02 -1.26 -2.96 135.00 135.08 1sx4 n PRO 462 Ca 0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1sx4 n PRO 462 Cb 0.51 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 1sx4 n PRO 462 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sx4 n SER 463 N -1.39 0.00 0.27 2.55 3.41 -1.26 -0.69 113.62 116.50 1sx4 n SER 463 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1sx4 n SER 463 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.48 -0.92 -3.33 2.07 -2.00 0.32 116.25 112.87 1sx4 h VAL 464 Ca 0.00 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1sx4 h VAL 464 Cb 0.00 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 1sx4 h VAL 464 CO 0.00 0.04 0.56 0.58 0.02 0.00 0.00 177.57 178.77 1sx4 h VAL 465 N -0.81 0.93 0.58 2.57 2.07 -0.97 -1.97 116.25 118.66 1sx4 h VAL 465 Ca -0.07 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1sx4 h VAL 465 Cb 0.57 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1sx4 h VAL 465 CO 0.11 0.17 -0.29 0.00 0.02 0.00 0.00 177.57 177.58 1sx4 h ALA 466 N 1.49 -0.80 -0.46 1.67 0.00 -0.62 0.16 119.26 120.70 1sx4 h ALA 466 Ca 0.45 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1sx4 h ALA 466 Cb 0.41 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1sx4 h ALA 466 CO -0.25 -0.95 -0.04 -0.97 0.00 0.00 0.00 179.25 177.04 1sx4 h ASN 467 N -0.80 -0.27 -0.56 0.00 -1.24 -0.80 0.03 115.58 111.94 1sx4 h ASN 467 Ca -0.08 0.12 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1sx4 h ASN 467 Cb 0.62 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.88 1sx4 h ASN 467 CO 0.12 -0.09 -0.09 0.71 -1.29 0.00 0.00 177.43 176.79 1sx4 h THR 468 N 0.07 1.27 -0.60 -3.57 1.35 -1.21 -1.54 112.91 108.68 1sx4 h THR 468 Ca 0.23 -1.25 0.06 0.00 -0.55 0.00 0.00 66.41 64.90 1sx4 h THR 468 Cb 0.34 0.92 -0.05 0.00 -1.73 0.00 0.00 68.15 67.63 1sx4 h THR 468 CO -0.42 0.45 0.30 0.58 -0.25 0.00 0.00 175.52 176.18 1sx4 h VAL 469 N 0.94 0.92 -0.94 6.82 2.07 -0.39 -1.75 116.25 123.92 1sx4 h VAL 469 Ca 0.15 -0.19 0.17 0.00 0.82 0.00 0.00 66.70 67.65 1sx4 h VAL 469 Cb 0.66 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1sx4 h VAL 469 CO 0.05 0.10 0.60 0.11 0.02 0.00 0.00 177.57 178.45 1sx4 h LYS 470 N 0.56 0.62 0.00 1.57 1.57 -0.72 -2.65 116.57 117.53 1sx4 h LYS 470 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1sx4 h LYS 470 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1sx4 h LYS 470 CO -0.20 0.41 -0.03 0.78 -0.57 0.00 0.00 179.45 179.84 1sx4 h GLY 471 N 0.64 0.00 0.00 3.86 0.00 -0.34 -3.44 103.07 103.79 1sx4 h GLY 471 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1sx4 h GLY 471 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.90 1sx4 n GLY 472 N -0.64 0.94 3.22 4.60 0.00 -1.00 -5.12 105.19 107.19 1sx4 n GLY 472 Ca -0.02 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 0.20 0.90 1.61 1.01 -1.26 -5.03 116.67 113.10 1sx4 s ASP 473 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.28 1sx4 s ASP 473 Cb 0.00 0.34 0.00 0.00 1.01 0.00 0.00 42.92 44.27 1sx4 s ASP 473 CO 0.00 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.21 1sx4 n GLY 474 N -0.11 3.10 1.82 0.21 0.00 -1.26 -1.53 105.19 107.42 1sx4 n GLY 474 Ca -0.08 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1sx4 n GLY 474 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sx4 n ASN 475 N 4.28 3.84 -4.73 1.61 3.02 -1.26 -4.91 115.26 117.11 1sx4 n ASN 475 Ca 0.00 -3.72 -0.41 0.00 -0.03 0.00 0.00 54.58 50.42 1sx4 n ASN 475 Cb 0.00 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.38 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 -3.37 3.61 0.00 3.10 5.04 -0.58 0.14 117.35 125.29 1sx4 s TYR 476 Ca 0.53 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 1sx4 s TYR 476 Cb 0.45 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1sx4 s TYR 476 CO 0.04 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 1sx4 n GLY 477 N 2.50 2.26 3.19 8.97 0.00 0.18 -4.75 105.19 117.54 1sx4 n GLY 477 Ca 0.05 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -6.68 2.45 -0.52 1.61 5.04 -1.26 -1.80 117.35 116.20 1sx4 s TYR 478 Ca 0.00 -1.02 -0.15 0.00 -2.44 0.00 0.00 57.07 53.46 1sx4 s TYR 478 Cb 0.00 -1.65 0.12 0.00 0.35 0.00 0.00 41.96 40.78 1sx4 s TYR 478 CO 0.00 -0.42 0.46 1.21 -1.34 0.00 0.00 175.55 175.46 1sx4 s ASN 479 N 0.42 6.09 0.61 4.32 2.47 -0.36 -4.79 114.94 123.70 1sx4 s ASN 479 Ca -0.17 -1.78 0.32 0.00 0.42 0.00 0.00 52.86 51.65 1sx4 s ASN 479 Cb -0.18 -2.17 1.80 0.00 -1.45 0.00 0.00 41.25 39.25 1sx4 s ASN 479 CO 0.07 -0.81 2.13 0.00 -3.72 0.00 0.00 177.10 174.78 1sx4 h ALA 480 N 8.79 1.59 -0.29 1.71 0.00 -1.95 0.13 119.26 129.25 1sx4 h ALA 480 Ca -0.28 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1sx4 h ALA 480 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sx4 h ALA 480 CO 0.99 -0.23 -0.51 0.00 0.00 0.00 0.00 179.25 179.50 1sx4 h ALA 481 N 1.76 0.45 -0.11 0.00 0.00 -1.95 -3.31 119.26 116.11 1sx4 h ALA 481 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sx4 h ALA 481 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 -4.05 0.42 -3.97 0.00 -2.24 -0.92 -4.99 114.28 98.54 1sx4 n THR 482 Ca -0.04 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 60.70 1sx4 n THR 482 Cb 0.61 0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.35 -4.11 -4.93 -0.78 1.02 0.40 -5.01 120.64 107.59 1sx4 n GLU 483 Ca 0.06 0.48 -0.30 0.00 -0.02 0.00 0.00 57.16 57.38 1sx4 n GLU 483 Cb 0.27 -5.27 -0.15 0.00 -0.02 0.00 0.00 31.44 26.27 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 -6.67 1.81 0.55 3.49 2.02 -1.14 -4.93 118.70 113.84 1sx4 s GLU 484 Ca 0.67 -1.10 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 1sx4 s GLU 484 Cb -0.35 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1sx4 s GLU 484 CO 0.82 0.51 0.84 0.71 0.02 0.00 0.00 175.26 178.16 1sx4 s TYR 485 N -0.80 3.27 -4.64 1.61 1.51 -1.26 -1.22 117.35 115.83 1sx4 s TYR 485 Ca 0.12 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1sx4 s TYR 485 Cb -0.10 -2.60 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1sx4 s TYR 485 CO 0.02 -0.66 0.00 0.41 -1.11 0.00 0.00 175.55 174.20 1sx4 n GLY 486 N -2.43 -0.71 3.48 0.71 0.00 -0.74 -4.93 105.19 100.56 1sx4 n GLY 486 Ca 0.03 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 6.24 0.44 1.61 3.84 -1.26 0.49 114.94 122.31 1sx4 s ASN 487 Ca 0.00 -0.73 0.27 0.00 0.21 0.00 0.00 52.86 52.61 1sx4 s ASN 487 Cb 0.00 -2.41 1.32 0.00 -0.55 0.00 0.00 41.25 39.61 1sx4 s ASN 487 CO 0.00 -1.30 1.70 0.24 -2.79 0.00 0.00 177.10 174.96 1sx4 h MET 488 N 9.40 0.19 -0.01 0.43 2.86 0.97 0.50 114.93 129.28 1sx4 h MET 488 Ca -0.28 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1sx4 h MET 488 Cb 1.07 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1sx4 h MET 488 CO 1.12 0.13 -0.08 0.82 1.06 0.00 0.00 176.91 179.95 1sx4 h ILE 489 N 0.20 1.56 -0.24 -1.22 2.04 -1.74 -0.02 117.51 118.09 1sx4 h ILE 489 Ca 0.70 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.86 1sx4 h ILE 489 Cb 2.15 2.71 -0.07 0.00 -0.74 0.00 0.00 36.82 40.87 1sx4 h ILE 489 CO -0.30 0.47 -0.27 0.44 0.00 0.00 0.00 178.15 178.49 1sx4 h ASP 490 N -0.63 -0.85 0.00 1.72 5.19 -1.61 -1.24 116.42 119.01 1sx4 h ASP 490 Ca -0.01 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1sx4 h ASP 490 Cb 0.81 0.39 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1sx4 h ASP 490 CO 0.02 -0.30 0.00 0.23 -3.12 0.00 0.00 179.24 176.07 1sx4 n MET 491 N -5.39 0.49 -1.60 3.56 2.81 0.05 -4.83 117.12 112.22 1sx4 n MET 491 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1sx4 n MET 491 Cb 0.30 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1sx4 n MET 491 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sx4 n GLY 492 N -0.01 0.43 3.05 3.03 0.00 -0.47 -5.00 105.19 106.22 1sx4 n GLY 492 Ca 0.08 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 3.15 0.05 -0.61 -1.09 -0.09 -4.96 121.20 115.65 1sx4 s ILE 493 Ca 0.00 -2.85 0.02 0.00 -2.23 0.00 0.00 60.65 55.58 1sx4 s ILE 493 Cb 0.00 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1sx4 s ILE 493 CO 0.00 -0.79 -0.07 -1.48 -1.23 0.00 0.00 174.94 171.37 1sx4 s LEU 494 N 0.17 2.31 -0.04 2.97 2.34 -1.26 -0.72 118.68 124.44 1sx4 s LEU 494 Ca 0.15 -0.64 0.07 0.00 0.06 0.00 0.00 54.13 53.77 1sx4 s LEU 494 Cb -0.22 -0.10 -0.02 0.00 -0.56 0.00 0.00 46.19 45.29 1sx4 s LEU 494 CO -0.03 -0.28 -0.24 -1.81 -1.06 0.00 0.00 176.35 172.93 1sx4 s ASP 495 N -1.87 3.15 0.50 1.48 1.01 -0.51 -4.65 116.67 115.77 1sx4 s ASP 495 Ca -0.06 -0.46 -0.22 0.00 0.71 0.00 0.00 52.55 52.51 1sx4 s ASP 495 Cb -0.07 -0.59 -0.08 0.00 1.01 0.00 0.00 42.92 43.19 1sx4 s ASP 495 CO -0.01 0.29 1.11 -2.65 0.21 0.00 0.00 175.17 174.12 1sx4 n PRO 496 N 2.64 1.41 -0.04 8.23 -0.02 -1.26 -1.11 135.00 144.86 1sx4 n PRO 496 Ca -0.17 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.73 1sx4 n PRO 496 Cb 0.51 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.34 0.98 -0.94 3.45 2.02 0.14 -1.44 112.91 118.47 1sx4 h THR 497 Ca -0.48 -0.07 0.18 0.00 0.77 0.00 0.00 66.41 66.82 1sx4 h THR 497 Cb 1.33 0.78 -0.18 0.00 -1.74 0.00 0.00 68.15 68.34 1sx4 h THR 497 CO 0.56 0.03 -0.25 0.50 0.37 0.00 0.00 175.52 176.73 1sx4 h LYS 498 N 0.19 -0.00 -0.13 6.66 3.64 -1.81 -1.86 116.57 123.26 1sx4 h LYS 498 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1sx4 h LYS 498 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1sx4 h LYS 498 CO -0.06 -0.00 -0.16 -0.39 -2.27 0.00 0.00 179.45 176.56 1sx4 h VAL 499 N -0.00 1.36 -0.77 2.00 -1.51 -1.55 0.86 116.25 116.63 1sx4 h VAL 499 Ca 0.44 -1.36 0.07 0.00 -1.23 0.00 0.00 66.70 64.61 1sx4 h VAL 499 Cb 0.68 1.94 -0.06 0.00 -2.13 0.00 0.00 31.29 31.72 1sx4 h VAL 499 CO -0.97 0.40 0.46 0.74 -1.23 0.00 0.00 177.57 176.97 1sx4 h THR 500 N -0.04 0.99 0.66 7.19 2.02 -1.24 -1.55 112.91 120.94 1sx4 h THR 500 Ca 0.02 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1sx4 h THR 500 Cb 0.71 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1sx4 h THR 500 CO 0.04 0.15 -0.32 -0.09 0.37 0.00 0.00 175.52 175.67 1sx4 h ARG 501 N 0.82 -0.85 -0.96 6.66 2.43 -1.18 -2.48 114.38 118.82 1sx4 h ARG 501 Ca 0.35 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 1sx4 h ARG 501 Cb 0.21 0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 1sx4 h ARG 501 CO -0.19 -0.57 -0.58 0.77 -1.51 0.00 0.00 179.97 177.89 1sx4 h SER 502 N -0.94 -2.13 -0.86 -3.80 0.02 -0.73 1.06 113.55 106.17 1sx4 h SER 502 Ca -0.09 0.32 0.16 0.00 -0.84 0.00 0.00 61.79 61.34 1sx4 h SER 502 Cb 0.68 0.94 -0.16 0.00 0.14 0.00 0.00 62.40 64.00 1sx4 h SER 502 CO 0.15 -0.23 -0.27 0.00 -1.14 0.00 0.00 176.83 175.34 1sx4 h ALA 503 N 0.46 0.42 -0.16 3.77 0.00 -1.34 0.33 119.26 122.74 1sx4 h ALA 503 Ca 0.15 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1sx4 h ALA 503 Cb 0.41 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1sx4 h ALA 503 CO -0.91 -0.47 0.01 1.25 0.00 0.00 0.00 179.25 179.12 1sx4 h LEU 504 N -0.02 0.27 -0.74 0.00 6.46 0.14 -0.81 115.31 120.60 1sx4 h LEU 504 Ca 0.38 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 1sx4 h LEU 504 Cb 0.62 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1sx4 h LEU 504 CO -0.89 0.49 -0.03 1.56 -0.62 0.00 0.00 178.44 178.96 1sx4 h GLN 505 N 0.04 0.93 -0.17 1.25 4.20 0.93 -0.17 115.11 122.11 1sx4 h GLN 505 Ca 0.05 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 1sx4 h GLN 505 Cb 0.35 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1sx4 h GLN 505 CO 0.01 0.94 -0.54 1.88 -0.67 0.00 0.00 178.83 180.44 1sx4 h TYR 506 N 0.85 0.62 -0.16 2.96 0.05 -0.27 -0.77 116.97 120.24 1sx4 h TYR 506 Ca 0.15 -0.22 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 1sx4 h TYR 506 Cb 0.54 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 1sx4 h TYR 506 CO 0.03 0.92 -0.51 0.00 -1.05 0.00 0.00 178.16 177.56 1sx4 h ALA 507 N 1.03 0.82 -0.05 3.88 0.00 -0.52 -2.84 119.26 121.58 1sx4 h ALA 507 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1sx4 h ALA 507 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1sx4 h ALA 507 CO 0.10 0.67 -0.30 0.00 0.00 0.00 0.00 179.25 179.72 1sx4 h ALA 508 N 1.10 1.40 0.08 0.00 0.00 -0.07 -1.88 119.26 119.89 1sx4 h ALA 508 Ca 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 508 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sx4 h ALA 508 CO 0.09 0.43 -0.04 1.03 0.00 0.00 0.00 179.25 180.77 1sx4 h SER 509 N 0.08 -0.09 0.92 0.00 0.87 -0.93 -2.06 113.55 112.34 1sx4 h SER 509 Ca 0.01 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.18 1sx4 h SER 509 Cb 0.58 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1sx4 h SER 509 CO 0.04 0.21 -0.65 1.62 -0.53 0.00 0.00 176.83 177.52 1sx4 h VAL 510 N -0.39 1.30 -0.35 2.23 3.04 -1.49 0.12 116.25 120.72 1sx4 h VAL 510 Ca -0.01 -2.37 -0.09 0.00 -1.01 0.00 0.00 66.70 63.22 1sx4 h VAL 510 Cb 0.34 2.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 1sx4 h VAL 510 CO 0.02 0.64 -0.12 0.00 -1.01 0.00 0.00 177.57 177.10 1sx4 h ALA 511 N 1.35 0.48 -0.24 3.17 0.00 -1.13 -1.56 119.26 121.33 1sx4 h ALA 511 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1sx4 h ALA 511 Cb 1.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1sx4 h ALA 511 CO 0.08 0.36 0.09 0.78 0.00 0.00 0.00 179.25 180.56 1sx4 h GLY 512 N 0.48 0.40 -0.20 0.00 0.00 -1.03 0.55 103.07 103.27 1sx4 h GLY 512 Ca 0.08 -0.22 0.21 0.00 0.00 0.00 0.00 47.33 47.40 1sx4 h GLY 512 CO 0.04 0.21 0.35 1.41 0.00 0.00 0.00 176.54 178.55 1sx4 h LEU 513 N 0.23 0.26 -0.06 3.11 4.07 -0.47 -0.77 115.31 121.68 1sx4 h LEU 513 Ca 0.08 0.16 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 1sx4 h LEU 513 Cb 0.20 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1sx4 h LEU 513 CO -0.00 -0.02 -0.30 0.24 -1.08 0.00 0.00 178.44 177.28 1sx4 h MET 514 N 0.37 0.32 0.00 1.13 2.86 -0.99 -2.87 114.93 115.74 1sx4 h MET 514 Ca 0.54 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1sx4 h MET 514 Cb 1.01 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1sx4 h MET 514 CO -0.54 0.89 0.00 0.82 1.06 0.00 0.00 176.91 179.15 1sx4 h ILE 515 N -0.19 0.00 -0.29 -1.22 2.04 -0.05 -0.90 117.51 116.90 1sx4 h ILE 515 Ca -0.02 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1sx4 h ILE 515 Cb 0.95 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1sx4 h ILE 515 CO 0.06 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.56 1sx4 n THR 516 N -2.47 2.34 -3.47 -0.27 -2.24 -0.37 -4.78 114.28 103.01 1sx4 n THR 516 Ca -0.02 -1.91 -0.38 0.00 -2.27 0.00 0.00 64.05 59.48 1sx4 n THR 516 Cb 0.05 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.94 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 5.25 -0.03 4.28 2.01 -0.35 -4.96 115.64 118.98 1sx4 s THR 517 Ca 0.43 0.56 0.14 0.00 0.31 0.00 0.00 61.69 63.14 1sx4 s THR 517 Cb 0.35 -3.66 -0.22 0.00 0.01 0.00 0.00 72.50 68.98 1sx4 s THR 517 CO 0.09 0.29 0.28 -0.62 -0.69 0.00 0.00 174.62 173.97 1sx4 n GLU 518 N 4.35 0.61 -3.98 4.92 -0.58 -1.26 -4.71 120.64 119.98 1sx4 n GLU 518 Ca -0.10 -0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.44 1sx4 n GLU 518 Cb 0.51 -1.34 -0.09 0.00 -0.57 0.00 0.00 31.44 29.95 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sx4 s MET 520 N -3.17 0.14 -0.07 0.00 -1.94 -0.53 -4.99 119.30 108.74 1sx4 s MET 520 Ca -0.00 0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 54.59 1sx4 s MET 520 Cb 0.02 -0.29 -0.03 0.00 2.01 0.00 0.00 34.83 36.54 1sx4 s MET 520 CO -0.07 -0.37 -0.01 0.08 -0.01 0.00 0.00 175.02 174.64 1sx4 s VAL 521 N 2.39 4.21 0.20 -6.03 1.01 -1.26 -1.32 120.40 119.60 1sx4 s VAL 521 Ca 0.03 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 1sx4 s VAL 521 Cb -0.13 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.52 1sx4 s VAL 521 CO -0.09 0.58 0.88 0.28 0.00 0.00 0.00 175.10 176.74 1sx4 s THR 522 N -0.90 0.00 0.60 3.92 -1.32 -1.10 -4.99 115.64 111.85 1sx4 s THR 522 Ca 0.14 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.70 1sx4 s THR 522 Cb -0.11 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1sx4 s THR 522 CO 0.03 0.00 1.02 -1.81 -2.21 0.00 0.00 174.62 171.66 1sx4 s ASP 523 N -2.95 6.15 0.26 8.08 1.01 -1.26 -0.30 116.67 127.66 1sx4 s ASP 523 Ca 0.12 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 54.64 1sx4 s ASP 523 Cb -0.03 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 1sx4 s ASP 523 CO 0.04 -0.92 1.41 -0.76 0.21 0.00 0.00 175.17 175.15 1sx4 s LEU 524 N -4.79 4.39 0.00 1.23 1.43 -1.20 -4.55 118.68 115.19 1sx4 s LEU 524 Ca 0.58 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 1sx4 s LEU 524 Cb -0.12 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1sx4 s LEU 524 CO 0.45 -0.66 0.24 -0.81 0.23 0.00 0.00 176.35 175.80