#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 3.51 0.47 0.00 0.00 -1.26 -4.98 121.76 119.49 1sx4 s ALA 3 Ca 0.00 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1sx4 s ALA 3 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1sx4 s ALA 3 CO 0.00 -0.51 0.59 0.15 0.00 0.00 0.00 175.76 175.99 1sx4 s LYS 4 N -0.54 2.62 -0.16 0.00 -0.14 -1.26 -3.27 119.74 117.00 1sx4 s LYS 4 Ca 0.54 -1.43 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1sx4 s LYS 4 Cb -0.36 -2.64 0.02 0.00 -1.68 0.00 0.00 37.83 33.17 1sx4 s LYS 4 CO 0.41 -0.43 -0.14 0.34 -0.76 0.00 0.00 175.35 174.77 1sx4 s ASP 5 N -4.40 2.80 -0.13 2.83 2.15 -0.69 -4.82 116.67 114.41 1sx4 s ASP 5 Ca 0.55 -0.55 -0.00 0.00 0.43 0.00 0.00 52.55 52.98 1sx4 s ASP 5 Cb -0.07 -1.21 -0.01 0.00 -0.30 0.00 0.00 42.92 41.32 1sx4 s ASP 5 CO 0.33 -0.06 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.45 1sx4 s VAL 6 N 1.46 3.01 0.07 1.11 1.01 -1.26 -3.15 120.40 122.66 1sx4 s VAL 6 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1sx4 s VAL 6 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1sx4 s VAL 6 CO -0.11 0.52 -0.24 -0.75 0.00 0.00 0.00 175.10 174.52 1sx4 s LYS 7 N 0.38 1.51 0.21 2.72 2.20 -0.67 -5.00 119.74 121.10 1sx4 s LYS 7 Ca -0.11 -1.13 0.11 0.00 -0.36 0.00 0.00 55.97 54.48 1sx4 s LYS 7 Cb -0.16 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.36 1sx4 s LYS 7 CO 0.05 0.44 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.21 1sx4 s PHE 8 N -0.91 2.18 0.00 4.03 0.40 -1.26 -1.73 117.98 120.69 1sx4 s PHE 8 Ca 0.10 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1sx4 s PHE 8 Cb -0.10 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1sx4 s PHE 8 CO 0.03 0.51 0.00 0.41 0.70 0.00 0.00 175.22 176.88 1sx4 n GLY 9 N 0.05 1.01 0.18 4.36 0.00 0.11 -1.95 105.19 108.96 1sx4 n GLY 9 Ca -0.11 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.30 -0.53 1.61 -1.24 -1.93 -1.43 115.58 111.76 1sx4 h ASN 10 Ca 0.00 -0.21 0.06 0.00 0.71 0.00 0.00 56.30 56.86 1sx4 h ASN 10 Cb 0.00 0.08 -0.08 0.00 0.73 0.00 0.00 38.32 39.05 1sx4 h ASN 10 CO 0.00 0.08 -0.50 0.44 -1.29 0.00 0.00 177.43 176.16 1sx4 h ASP 11 N -0.73 -1.72 -0.79 1.15 3.32 -1.84 0.15 116.42 115.95 1sx4 h ASP 11 Ca -0.04 0.24 0.12 0.00 0.02 0.00 0.00 57.03 57.38 1sx4 h ASP 11 Cb 0.49 0.73 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 1sx4 h ASP 11 CO 0.06 -0.30 -0.30 0.00 -1.72 0.00 0.00 179.24 176.98 1sx4 n ALA 12 N -3.10 -0.08 0.10 3.45 0.00 -0.82 -1.08 120.51 118.98 1sx4 n ALA 12 Ca -0.01 0.79 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 1sx4 n ALA 12 Cb 0.27 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 0.02 0.17 0.00 3.08 0.11 -0.41 114.38 117.34 1sx4 h ARG 13 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1sx4 h ARG 13 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1sx4 h ARG 13 CO -0.78 0.82 -0.08 0.28 -1.07 0.00 0.00 179.97 179.14 1sx4 h VAL 14 N 0.01 0.95 -0.72 2.04 2.07 0.85 -0.85 116.25 120.61 1sx4 h VAL 14 Ca -0.01 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 67.00 1sx4 h VAL 14 Cb 1.44 1.34 -0.14 0.00 -1.52 0.00 0.00 31.29 32.41 1sx4 h VAL 14 CO 0.11 0.15 -0.20 0.11 0.02 0.00 0.00 177.57 177.76 1sx4 h LYS 15 N -0.55 -0.02 -1.00 1.57 1.79 -1.44 0.26 116.57 117.19 1sx4 h LYS 15 Ca -0.02 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.61 1sx4 h LYS 15 Cb 0.42 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.97 1sx4 h LYS 15 CO 0.04 -0.01 0.62 0.52 -1.08 0.00 0.00 179.45 179.53 1sx4 h MET 16 N -0.02 0.82 -0.05 3.15 2.86 -0.81 -2.71 114.93 118.17 1sx4 h MET 16 Ca 0.34 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1sx4 h MET 16 Cb 0.53 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1sx4 h MET 16 CO -0.74 0.54 -0.14 1.25 1.06 0.00 0.00 176.91 178.88 1sx4 h LEU 17 N 0.84 0.21 0.25 1.22 5.85 0.96 -0.66 115.31 123.98 1sx4 h LEU 17 Ca 0.55 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sx4 h LEU 17 Cb 0.76 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1sx4 h LEU 17 CO -0.35 0.77 -0.20 0.03 -0.34 0.00 0.00 178.44 178.35 1sx4 h ARG 18 N -0.34 -0.45 -0.65 1.25 3.08 -1.19 0.24 114.38 116.33 1sx4 h ARG 18 Ca -0.00 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1sx4 h ARG 18 Cb 0.74 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 1sx4 h ARG 18 CO 0.03 -0.30 -0.38 0.41 -1.07 0.00 0.00 179.97 178.65 1sx4 n GLY 19 N -1.33 -2.72 0.37 0.04 0.00 -1.03 -1.08 105.19 99.43 1sx4 n GLY 19 Ca -0.09 0.97 0.03 0.00 0.00 0.00 0.00 46.02 46.93 1sx4 n GLY 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1sx4 h VAL 20 N 0.00 1.08 -0.56 1.61 3.04 -0.12 -2.01 116.25 119.30 1sx4 h VAL 20 Ca 0.10 -0.39 0.10 0.00 -1.01 0.00 0.00 66.70 65.50 1sx4 h VAL 20 Cb 0.27 -0.15 -0.08 0.00 -2.01 0.00 0.00 31.29 29.32 1sx4 h VAL 20 CO -0.61 0.21 0.13 0.78 -1.01 0.00 0.00 177.57 177.07 1sx4 h ASN 21 N 1.13 0.04 -0.53 3.17 -0.26 0.11 -1.07 115.58 118.18 1sx4 h ASN 21 Ca 0.42 0.10 -0.10 0.00 -0.56 0.00 0.00 56.30 56.15 1sx4 h ASN 21 Cb 0.18 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1sx4 h ASN 21 CO -0.16 0.04 -0.07 0.58 -1.06 0.00 0.00 177.43 176.76 1sx4 h VAL 22 N 0.28 1.27 0.09 2.81 2.07 -0.76 4.19 116.25 126.20 1sx4 h VAL 22 Ca 0.28 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1sx4 h VAL 22 Cb 0.39 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1sx4 h VAL 22 CO -0.35 0.43 -0.20 0.25 0.02 0.00 0.00 177.57 177.71 1sx4 h LEU 23 N 0.85 -0.59 -1.04 2.57 6.46 -0.91 -2.54 115.31 120.11 1sx4 h LEU 23 Ca 0.14 0.06 0.24 0.00 -0.12 0.00 0.00 57.88 58.20 1sx4 h LEU 23 Cb 0.63 0.21 -0.12 0.00 -0.73 0.00 0.00 40.66 40.65 1sx4 h LEU 23 CO 0.04 -0.23 0.60 0.00 -0.62 0.00 0.00 178.44 178.24 1sx4 h ALA 24 N -1.24 1.83 0.00 1.25 0.00 -0.83 -0.54 119.26 119.73 1sx4 h ALA 24 Ca -0.01 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1sx4 h ALA 24 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sx4 h ALA 24 CO -0.09 -0.29 -0.40 -0.44 0.00 0.00 0.00 179.25 178.03 1sx4 h ASP 25 N 0.58 0.00 0.92 0.00 3.32 0.83 -1.87 116.42 120.21 1sx4 h ASP 25 Ca 0.64 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.46 1sx4 h ASP 25 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1sx4 h ASP 25 CO -0.45 0.40 -1.05 0.00 -1.72 0.00 0.00 179.24 176.41 1sx4 h ALA 26 N 1.60 0.30 0.00 3.45 0.00 -1.15 -3.36 119.26 120.11 1sx4 h ALA 26 Ca -0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 54.91 53.86 1sx4 h ALA 26 Cb 1.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1sx4 h ALA 26 CO 0.05 1.20 -1.72 1.55 0.00 0.00 0.00 179.25 180.33 1sx4 n VAL 27 N -3.38 0.81 0.73 0.00 3.14 -0.24 -4.21 118.33 115.18 1sx4 n VAL 27 Ca -0.02 -0.65 0.13 0.00 -2.96 0.00 0.00 64.34 60.84 1sx4 n VAL 27 Cb 0.96 -0.42 0.45 0.00 -1.06 0.00 0.00 33.84 33.77 1sx4 n VAL 27 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1sx4 n LYS 28 N -2.65 0.19 0.00 1.45 2.85 -0.72 -3.31 118.16 115.97 1sx4 n LYS 28 Ca -0.11 0.15 0.15 0.00 -1.05 0.00 0.00 58.31 57.44 1sx4 n LYS 28 Cb 0.79 -1.72 0.72 0.00 -0.65 0.00 0.00 35.03 34.17 1sx4 n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1sx4 n VAL 29 N -2.05 0.00 -0.52 0.58 0.24 -1.26 -3.03 118.33 112.29 1sx4 n VAL 29 Ca 0.06 -0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.45 1sx4 n VAL 29 Cb 0.41 -0.45 0.32 0.00 -1.47 0.00 0.00 33.84 32.65 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 -1.28 1.52 0.10 3.34 -2.24 -1.21 -1.46 114.28 113.05 1sx4 n THR 30 Ca 0.13 -1.15 -0.20 0.00 -2.27 0.00 0.00 64.05 60.56 1sx4 n THR 30 Cb 0.26 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 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 3.80 0.56 0.00 3.22 5.85 -1.78 -3.41 115.31 123.56 1sx4 h LEU 31 Ca 0.00 -0.66 -0.21 0.00 0.84 0.00 0.00 57.88 57.85 1sx4 h LEU 31 Cb 1.24 -0.18 0.13 0.00 0.37 0.00 0.00 40.66 42.21 1sx4 h LEU 31 CO 0.14 1.53 -0.10 0.61 -0.34 0.00 0.00 178.44 180.27 1sx4 n GLY 32 N 1.66 -2.43 0.00 3.75 0.00 -1.26 -4.79 105.19 102.11 1sx4 n GLY 32 Ca -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1sx4 n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sx4 n PRO 33 N -2.37 0.10 -3.02 1.61 -0.04 -1.26 -4.17 135.00 125.85 1sx4 n PRO 33 Ca 0.08 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 1sx4 n PRO 33 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.28 2.22 -2.26 0.54 5.02 -1.26 -5.00 118.16 116.14 1sx4 n LYS 34 Ca 0.03 -4.18 -0.26 0.00 -2.02 0.00 0.00 58.31 51.89 1sx4 n LYS 34 Cb 0.06 -1.99 0.06 0.00 -0.02 0.00 0.00 35.03 33.13 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 -3.02 1.66 0.48 0.72 0.00 -1.26 -3.70 107.32 102.20 1sx4 s GLY 35 Ca 0.45 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.38 1sx4 s GLY 35 CO -0.11 -0.49 0.66 0.50 0.00 0.00 0.00 173.10 173.67 1sx4 s ARG 36 N -5.16 2.65 0.24 2.90 1.81 -0.54 -4.97 118.95 115.89 1sx4 s ARG 36 Ca 0.58 -1.17 -0.12 0.00 -1.72 0.00 0.00 55.73 53.30 1sx4 s ARG 36 Cb -0.11 -2.66 -0.08 0.00 -0.45 0.00 0.00 34.95 31.65 1sx4 s ARG 36 CO 0.45 -0.49 0.61 -0.80 -0.68 0.00 0.00 175.30 174.38 1sx4 s ASN 37 N -4.42 6.72 -0.06 0.23 0.01 -1.26 -4.50 114.94 111.67 1sx4 s ASN 37 Ca 0.57 1.07 0.04 0.00 -0.71 0.00 0.00 52.86 53.82 1sx4 s ASN 37 Cb -0.09 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1sx4 s ASN 37 CO 0.35 -0.07 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.03 1sx4 s VAL 38 N -1.78 2.95 -0.19 1.60 1.01 0.76 -4.97 120.40 119.79 1sx4 s VAL 38 Ca 0.47 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1sx4 s VAL 38 Cb -0.12 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1sx4 s VAL 38 CO 0.20 0.58 0.04 -0.69 0.00 0.00 0.00 175.10 175.23 1sx4 s VAL 39 N -0.60 4.46 -0.31 2.92 1.01 -1.26 -1.80 120.40 124.83 1sx4 s VAL 39 Ca 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1sx4 s VAL 39 Cb -0.11 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1sx4 s VAL 39 CO 0.01 0.44 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 1sx4 s LEU 40 N 0.63 3.44 0.83 3.92 1.02 0.83 -4.95 118.68 124.40 1sx4 s LEU 40 Ca 0.02 -1.76 -0.12 0.00 0.02 0.00 0.00 54.13 52.29 1sx4 s LEU 40 Cb -0.13 -1.28 0.10 0.00 0.02 0.00 0.00 46.19 44.89 1sx4 s LEU 40 CO 0.02 -0.36 1.18 -0.62 0.02 0.00 0.00 176.35 176.59 1sx4 s ASP 41 N 1.24 3.51 -0.12 2.29 2.15 -1.26 -1.34 116.67 123.14 1sx4 s ASP 41 Ca 0.06 2.27 -0.07 0.00 0.43 0.00 0.00 52.55 55.25 1sx4 s ASP 41 Cb -0.18 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1sx4 s ASP 41 CO -0.13 -2.72 0.29 -0.75 -0.17 0.00 0.00 175.17 171.70 1sx4 s LYS 42 N -4.33 0.26 0.00 4.34 2.20 -1.26 -4.78 119.74 116.17 1sx4 s LYS 42 Ca 0.70 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1sx4 s LYS 42 Cb -0.26 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1sx4 s LYS 42 CO 0.53 -0.16 0.62 0.43 -0.36 0.00 0.00 175.35 176.41 1sx4 n SER 43 N 4.19 0.00 -4.89 1.43 7.64 -1.26 -4.53 113.62 116.21 1sx4 n SER 43 Ca -0.24 0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.95 1sx4 n SER 43 Cb 0.54 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.49 3.45 0.00 1.43 0.40 -1.26 -4.93 117.98 115.58 1sx4 s PHE 44 Ca 0.00 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1sx4 s PHE 44 Cb 0.00 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1sx4 s PHE 44 CO 0.00 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.52 1sx4 n GLY 45 N -0.58 -1.60 3.86 4.36 0.00 -1.26 -4.96 105.19 105.01 1sx4 n GLY 45 Ca -0.00 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1sx4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sx4 s ALA 46 N -1.17 3.42 1.24 4.61 0.00 -1.26 -4.80 121.76 123.79 1sx4 s ALA 46 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1sx4 s ALA 46 Cb 0.00 -2.64 0.31 0.00 0.00 0.00 0.00 23.12 20.79 1sx4 s ALA 46 CO 0.00 0.37 1.00 -1.25 0.00 0.00 0.00 175.76 175.89 1sx4 s PRO 47 N -2.99 -1.52 -0.17 0.00 0.04 -1.26 -4.74 135.00 124.36 1sx4 s PRO 47 Ca 0.51 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1sx4 s PRO 47 Cb -0.11 -1.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.91 1sx4 s PRO 47 CO 0.20 -4.05 -0.06 0.99 0.04 0.00 0.00 177.00 174.12 1sx4 s THR 48 N -2.45 3.52 -0.22 1.26 2.01 -0.45 -4.94 115.64 114.37 1sx4 s THR 48 Ca 0.68 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1sx4 s THR 48 Cb -0.21 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1sx4 s THR 48 CO 0.62 0.47 0.12 -0.63 -0.69 0.00 0.00 174.62 174.52 1sx4 s ILE 49 N 0.75 5.09 0.04 1.82 1.01 -1.26 -0.12 121.20 128.53 1sx4 s ILE 49 Ca -0.03 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 1sx4 s ILE 49 Cb -0.15 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1sx4 s ILE 49 CO 0.02 0.39 0.22 0.28 0.00 0.00 0.00 174.94 175.85 1sx4 s THR 50 N 0.83 0.10 -0.25 2.92 -1.32 -0.75 -4.97 115.64 112.21 1sx4 s THR 50 Ca 0.06 -0.85 0.03 0.00 -1.21 0.00 0.00 61.69 59.72 1sx4 s THR 50 Cb -0.13 -0.93 0.09 0.00 -1.51 0.00 0.00 72.50 70.02 1sx4 s THR 50 CO 0.02 -0.47 1.07 0.29 -2.21 0.00 0.00 174.62 173.32 1sx4 n LYS 51 N 0.63 2.94 -3.36 7.08 5.02 -1.26 -0.17 118.16 129.05 1sx4 n LYS 51 Ca -0.19 -1.67 -0.46 0.00 -2.02 0.00 0.00 58.31 53.98 1sx4 n LYS 51 Cb 0.59 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.03 6.42 0.33 4.39 2.15 -1.26 -4.69 116.67 122.97 1sx4 s ASP 52 Ca 0.07 -2.34 0.27 0.00 0.43 0.00 0.00 52.55 50.98 1sx4 s ASP 52 Cb 0.04 -2.18 1.07 0.00 -0.30 0.00 0.00 42.92 41.55 1sx4 s ASP 52 CO 0.04 -0.67 1.03 0.61 -0.17 0.00 0.00 175.17 176.02 1sx4 n GLY 53 N 4.44 -0.60 0.09 2.66 0.00 -1.26 -1.42 105.19 109.09 1sx4 n GLY 53 Ca 0.02 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1sx4 n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sx4 h VAL 54 N 0.00 1.56 -0.28 1.61 2.07 -1.93 -0.38 116.25 118.90 1sx4 h VAL 54 Ca 0.60 -3.19 -0.07 0.00 0.82 0.00 0.00 66.70 64.87 1sx4 h VAL 54 Cb 2.19 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 34.84 1sx4 h VAL 54 CO -0.16 0.92 -0.10 0.28 0.02 0.00 0.00 177.57 178.53 1sx4 h SER 55 N 0.05 0.57 0.07 0.57 0.02 -1.67 -2.46 113.55 110.70 1sx4 h SER 55 Ca -0.09 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1sx4 h SER 55 Cb 1.90 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1sx4 h SER 55 CO 0.17 0.83 -0.04 0.58 -1.14 0.00 0.00 176.83 177.24 1sx4 h VAL 56 N 0.31 1.00 -0.65 2.27 2.07 -1.23 -3.08 116.25 116.95 1sx4 h VAL 56 Ca 0.07 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1sx4 h VAL 56 Cb 0.60 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 1sx4 h VAL 56 CO 0.03 0.07 0.25 0.00 0.02 0.00 0.00 177.57 177.94 1sx4 h ALA 57 N 0.70 0.86 -0.66 1.67 0.00 -1.13 -1.70 119.26 119.00 1sx4 h ALA 57 Ca -0.01 0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.18 1sx4 h ALA 57 Cb 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1sx4 h ALA 57 CO 0.02 -0.18 0.48 -0.09 0.00 0.00 0.00 179.25 179.48 1sx4 h ARG 58 N 0.44 0.00 0.00 0.00 2.43 -1.35 0.19 114.38 116.09 1sx4 h ARG 58 Ca 0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1sx4 h ARG 58 Cb 0.42 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1sx4 h ARG 58 CO -0.32 0.00 -0.76 1.49 -1.51 0.00 0.00 179.97 178.87 1sx4 h GLU 59 N 0.00 0.00 -6.35 0.20 4.57 -1.33 -3.46 114.58 108.21 1sx4 h GLU 59 Ca 0.31 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.95 1sx4 h GLU 59 Cb 1.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1sx4 h GLU 59 CO -0.00 0.08 0.84 0.42 -1.18 0.00 0.00 179.01 179.16 1sx4 s ILE 60 N -3.23 3.79 -0.25 2.32 -1.09 0.66 -4.97 121.20 118.42 1sx4 s ILE 60 Ca 0.01 1.15 -0.14 0.00 -2.23 0.00 0.00 60.65 59.45 1sx4 s ILE 60 Cb 0.08 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.30 1sx4 s ILE 60 CO 0.76 -0.01 0.61 -0.70 -1.23 0.00 0.00 174.94 174.37 1sx4 s GLU 61 N 2.52 0.61 0.31 2.79 2.12 -1.26 -4.94 118.70 120.85 1sx4 s GLU 61 Ca 0.63 1.13 0.08 0.00 0.36 0.00 0.00 54.97 57.16 1sx4 s GLU 61 Cb -0.30 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 1sx4 s GLU 61 CO 0.25 -0.16 0.23 -0.51 -0.54 0.00 0.00 175.26 174.54 1sx4 s LEU 62 N 1.68 3.60 0.02 2.70 1.43 -1.26 -5.03 118.68 121.82 1sx4 s LEU 62 Ca -0.09 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1sx4 s LEU 62 Cb -0.06 -2.17 -0.25 0.00 0.03 0.00 0.00 46.19 43.74 1sx4 s LEU 62 CO -0.18 -0.24 1.10 -0.08 0.23 0.00 0.00 176.35 177.19 1sx4 h GLU 63 N 1.39 0.50 -6.25 1.70 4.81 -2.00 -3.43 114.58 111.30 1sx4 h GLU 63 Ca -0.46 -0.57 -0.56 0.00 -0.13 0.00 0.00 59.36 57.64 1sx4 h GLU 63 Cb 1.25 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 1sx4 h GLU 63 CO 0.60 1.20 1.07 0.34 -0.73 0.00 0.00 179.01 181.49 1sx4 s ASP 64 N -6.98 6.60 1.15 1.04 -1.08 -1.26 -4.95 116.67 111.20 1sx4 s ASP 64 Ca -0.12 1.85 -0.15 0.00 -0.52 0.00 0.00 52.55 53.60 1sx4 s ASP 64 Cb 0.04 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.23 1sx4 s ASP 64 CO 0.86 -1.04 1.05 -0.54 0.52 0.00 0.00 175.17 176.03 1sx4 s LYS 65 N 4.20 -0.79 1.16 4.34 1.02 -1.26 -0.43 119.74 127.97 1sx4 s LYS 65 Ca 0.68 0.42 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1sx4 s LYS 65 Cb -0.27 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1sx4 s LYS 65 CO 0.26 -3.53 0.00 1.19 -0.92 0.00 0.00 175.35 172.35 1sx4 n PHE 66 N -4.72 0.00 -0.29 3.18 3.72 -1.26 -3.91 117.46 114.19 1sx4 n PHE 66 Ca 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 1sx4 n PHE 66 Cb 0.57 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.13 1sx4 n PHE 66 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sx4 n GLU 67 N 0.00 -0.19 -0.22 -1.08 1.02 -1.19 0.64 120.64 119.61 1sx4 n GLU 67 Ca 0.00 1.12 -0.07 0.00 -0.02 0.00 0.00 57.16 58.19 1sx4 n GLU 67 Cb 0.00 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 29.79 1sx4 n GLU 67 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1sx4 h ASN 68 N 0.00 0.85 -0.44 1.62 -1.24 -0.86 -1.03 115.58 114.48 1sx4 h ASN 68 Ca 0.23 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1sx4 h ASN 68 Cb 0.42 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1sx4 h ASN 68 CO -0.72 0.79 0.27 0.24 -1.29 0.00 0.00 177.43 176.71 1sx4 h MET 69 N 0.87 0.61 0.29 6.67 2.86 -0.73 0.45 114.93 125.95 1sx4 h MET 69 Ca 0.21 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1sx4 h MET 69 Cb 0.19 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1sx4 h MET 69 CO -0.02 0.44 -0.25 0.78 1.06 0.00 0.00 176.91 178.92 1sx4 h GLY 70 N 0.67 -0.58 0.84 8.32 0.00 0.14 -0.30 103.07 112.16 1sx4 h GLY 70 Ca 0.16 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1sx4 h GLY 70 CO -0.03 -0.23 0.04 0.00 0.00 0.00 0.00 176.54 176.32 1sx4 h ALA 71 N 0.07 0.24 0.00 3.60 0.00 -0.08 -2.53 119.26 120.56 1sx4 h ALA 71 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1sx4 h ALA 71 Cb 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sx4 h ALA 71 CO -0.03 -0.11 -0.12 1.96 0.00 0.00 0.00 179.25 180.95 1sx4 h GLN 72 N 0.10 0.00 -0.16 0.00 1.08 0.17 -1.14 115.11 115.17 1sx4 h GLN 72 Ca 0.06 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.11 1sx4 h GLN 72 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1sx4 h GLN 72 CO 0.00 0.12 -0.54 0.52 -0.95 0.00 0.00 178.83 177.98 1sx4 h MET 73 N 0.00 0.47 0.04 1.46 2.86 -0.63 -0.75 114.93 118.38 1sx4 h MET 73 Ca -0.00 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.21 1sx4 h MET 73 Cb 0.26 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.97 1sx4 h MET 73 CO 0.02 0.89 -0.56 0.28 1.06 0.00 0.00 176.91 178.59 1sx4 h VAL 74 N 0.36 1.49 -0.98 -2.22 2.07 -1.05 -2.89 116.25 113.02 1sx4 h VAL 74 Ca 0.01 -2.18 0.25 0.00 0.82 0.00 0.00 66.70 65.59 1sx4 h VAL 74 Cb 1.06 2.82 -0.13 0.00 -1.52 0.00 0.00 31.29 33.53 1sx4 h VAL 74 CO 0.10 0.62 0.56 0.11 0.02 0.00 0.00 177.57 178.97 1sx4 h LYS 75 N -0.29 0.51 -0.38 1.57 1.57 -1.27 -1.23 116.57 117.05 1sx4 h LYS 75 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1sx4 h LYS 75 Cb 1.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1sx4 h LYS 75 CO 0.11 0.34 0.20 1.49 -0.57 0.00 0.00 179.45 181.02 1sx4 h GLU 76 N 0.53 0.54 0.03 3.15 4.81 -0.92 -1.47 114.58 121.25 1sx4 h GLU 76 Ca 0.64 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.54 1sx4 h GLU 76 Cb 1.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1sx4 h GLU 76 CO -0.50 0.45 -1.36 -0.24 -0.73 0.00 0.00 179.01 176.63 1sx4 h VAL 77 N 0.49 1.30 0.00 0.32 3.04 -1.24 -2.62 116.25 117.54 1sx4 h VAL 77 Ca 0.13 -3.04 -0.15 0.00 -1.01 0.00 0.00 66.70 62.64 1sx4 h VAL 77 Cb 0.07 2.69 -0.02 0.00 -2.01 0.00 0.00 31.29 32.02 1sx4 h VAL 77 CO -0.02 0.78 -0.69 0.00 -1.01 0.00 0.00 177.57 176.63 1sx4 h ALA 78 N 0.87 0.77 -0.39 3.17 0.00 -1.12 -1.76 119.26 120.79 1sx4 h ALA 78 Ca -0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 1sx4 h ALA 78 Cb 1.91 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1sx4 h ALA 78 CO 0.12 0.87 -0.35 1.03 0.00 0.00 0.00 179.25 180.92 1sx4 h SER 79 N 0.00 0.97 -0.94 0.00 0.87 -1.01 -2.54 113.55 110.90 1sx4 h SER 79 Ca -0.01 -0.43 0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1sx4 h SER 79 Cb 1.30 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 1sx4 h SER 79 CO 0.09 1.22 0.55 0.11 -0.53 0.00 0.00 176.83 178.27 1sx4 h LYS 80 N 0.76 0.80 -0.09 2.24 1.57 -1.14 0.53 116.57 121.23 1sx4 h LYS 80 Ca 0.07 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1sx4 h LYS 80 Cb 0.94 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1sx4 h LYS 80 CO 0.09 0.53 -0.46 0.00 -0.57 0.00 0.00 179.45 179.04 1sx4 h ALA 81 N 1.55 -0.70 -0.88 3.86 0.00 -0.90 0.19 119.26 122.38 1sx4 h ALA 81 Ca 0.49 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.41 1sx4 h ALA 81 Cb 0.59 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1sx4 h ALA 81 CO -0.31 -0.98 0.58 -0.97 0.00 0.00 0.00 179.25 177.56 1sx4 h ASN 82 N -0.55 0.93 -0.81 0.00 -0.73 -1.40 0.12 115.58 113.14 1sx4 h ASN 82 Ca 0.06 -0.01 0.16 0.00 1.87 0.00 0.00 56.30 58.38 1sx4 h ASN 82 Cb 0.66 -0.21 -0.10 0.00 0.27 0.00 0.00 38.32 38.94 1sx4 h ASN 82 CO -0.39 0.62 0.36 0.44 -0.37 0.00 0.00 177.43 178.10 1sx4 h ASP 83 N 1.07 0.35 0.20 1.15 3.32 0.29 -1.31 116.42 121.49 1sx4 h ASP 83 Ca 0.36 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1sx4 h ASP 83 Cb 0.08 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1sx4 h ASP 83 CO -0.12 0.11 -0.55 0.00 -1.72 0.00 0.00 179.24 176.96 1sx4 n ALA 84 N -2.49 3.72 0.00 3.45 0.00 0.34 -4.54 120.51 120.99 1sx4 n ALA 84 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1sx4 n ALA 84 Cb 0.47 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1sx4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 85 N -0.95 1.49 -0.22 0.00 0.00 -0.75 -5.03 120.51 115.04 1sx4 n ALA 85 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1sx4 n ALA 85 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1sx4 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sx4 n GLY 86 N 1.79 0.86 3.69 0.00 0.00 -0.50 -4.79 105.19 106.24 1sx4 n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sx4 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sx4 s ASP 87 N -2.10 -0.08 0.00 1.61 2.15 -1.26 -4.95 116.67 112.04 1sx4 s ASP 87 Ca 0.00 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1sx4 s ASP 87 Cb 0.00 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1sx4 s ASP 87 CO 0.00 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 1sx4 n GLY 88 N -0.53 2.21 0.21 2.66 0.00 -1.26 -3.41 105.19 105.06 1sx4 n GLY 88 Ca -0.07 0.00 0.00 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 -0.32 -0.28 -0.03 2.61 -1.04 -1.26 0.27 114.28 114.22 1sx4 n THR 89 Ca 0.00 1.29 -0.16 0.00 -2.04 0.00 0.00 64.05 63.15 1sx4 n THR 89 Cb 0.00 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 66.70 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 1.35 -0.49 12.58 2.02 -1.91 -2.68 112.91 123.79 1sx4 h THR 90 Ca 0.21 -1.79 0.05 0.00 0.77 0.00 0.00 66.41 65.66 1sx4 h THR 90 Cb 0.35 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 1sx4 h THR 90 CO -0.56 0.54 0.22 0.74 0.37 0.00 0.00 175.52 176.83 1sx4 h THR 91 N 0.17 0.90 -0.58 3.16 2.02 0.04 0.99 112.91 119.62 1sx4 h THR 91 Ca -0.03 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.09 1sx4 h THR 91 Cb 1.12 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1sx4 h THR 91 CO 0.10 0.08 0.22 0.00 0.37 0.00 0.00 175.52 176.29 1sx4 h ALA 92 N 1.29 0.74 -0.29 6.16 0.00 0.38 -1.05 119.26 126.49 1sx4 h ALA 92 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1sx4 h ALA 92 Cb 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sx4 h ALA 92 CO -0.19 -0.18 0.18 1.15 0.00 0.00 0.00 179.25 180.20 1sx4 h THR 93 N 0.41 1.09 -1.00 0.00 2.02 -0.95 -0.66 112.91 113.81 1sx4 h THR 93 Ca 0.29 -0.20 0.17 0.00 0.77 0.00 0.00 66.41 67.43 1sx4 h THR 93 Cb 0.33 0.72 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1sx4 h THR 93 CO -0.28 0.09 0.62 0.58 0.37 0.00 0.00 175.52 176.90 1sx4 h VAL 94 N 0.37 0.77 0.00 3.16 2.07 -0.08 -0.50 116.25 122.04 1sx4 h VAL 94 Ca 0.10 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 1sx4 h VAL 94 Cb -0.01 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.61 1sx4 h VAL 94 CO -0.02 0.15 -1.03 -0.07 0.02 0.00 0.00 177.57 176.62 1sx4 h LEU 95 N 0.82 0.00 -0.43 2.57 3.38 -1.03 -2.95 115.31 117.66 1sx4 h LEU 95 Ca 0.55 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.36 1sx4 h LEU 95 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sx4 h LEU 95 CO -0.34 0.90 -0.39 0.00 0.09 0.00 0.00 178.44 178.71 1sx4 h ALA 96 N 1.10 0.61 -0.43 1.53 0.00 -0.26 -0.15 119.26 121.67 1sx4 h ALA 96 Ca -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1sx4 h ALA 96 Cb 1.73 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1sx4 h ALA 96 CO 0.11 0.68 0.19 0.37 0.00 0.00 0.00 179.25 180.59 1sx4 h GLN 97 N 0.72 0.38 -0.53 0.00 4.15 -1.17 -0.95 115.11 117.71 1sx4 h GLN 97 Ca 0.06 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1sx4 h GLN 97 Cb 0.97 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 1sx4 h GLN 97 CO 0.09 0.25 0.33 0.00 -1.93 0.00 0.00 178.83 177.57 1sx4 h ALA 98 N 1.25 0.68 -0.01 3.38 0.00 -0.89 0.28 119.26 123.96 1sx4 h ALA 98 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 98 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sx4 h ALA 98 CO -0.16 0.06 -0.04 0.82 0.00 0.00 0.00 179.25 179.94 1sx4 h ILE 99 N 0.67 1.53 -0.74 0.00 2.04 -1.08 -3.07 117.51 116.86 1sx4 h ILE 99 Ca 0.21 -1.62 0.08 0.00 1.00 0.00 0.00 64.86 64.53 1sx4 h ILE 99 Cb -0.01 2.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 1sx4 h ILE 99 CO -0.08 0.43 0.41 0.40 0.00 0.00 0.00 178.15 179.30 1sx4 h ILE 100 N -0.63 0.92 -0.01 -0.67 2.04 -0.12 0.42 117.51 119.48 1sx4 h ILE 100 Ca -0.00 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1sx4 h ILE 100 Cb 0.71 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1sx4 h ILE 100 CO 0.01 0.13 -0.11 0.74 0.00 0.00 0.00 178.15 178.92 1sx4 h THR 101 N 0.71 0.73 0.00 -0.27 2.02 -0.50 0.85 112.91 116.45 1sx4 h THR 101 Ca 0.35 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.27 1sx4 h THR 101 Cb 0.29 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1sx4 h THR 101 CO -0.23 0.00 -1.44 -0.33 0.37 0.00 0.00 175.52 173.89 1sx4 h GLU 102 N -0.18 0.00 -0.46 6.66 4.39 -1.22 -2.08 114.58 121.69 1sx4 h GLU 102 Ca 0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1sx4 h GLU 102 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1sx4 h GLU 102 CO -0.11 0.68 0.04 0.78 -1.16 0.00 0.00 179.01 179.24 1sx4 h GLY 103 N 3.32 0.85 2.00 -3.84 0.00 -0.01 -1.84 103.07 103.54 1sx4 h GLY 103 Ca -0.18 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 1sx4 h GLY 103 CO 0.10 0.55 -0.58 -2.00 0.00 0.00 0.00 176.54 174.60 1sx4 h LEU 104 N 0.65 0.00 -0.30 3.11 5.85 -0.76 -1.49 115.31 122.37 1sx4 h LEU 104 Ca 0.14 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1sx4 h LEU 104 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1sx4 h LEU 104 CO 0.02 0.58 -0.13 0.11 -0.34 0.00 0.00 178.44 178.68 1sx4 h LYS 105 N 0.00 0.61 -0.37 1.25 1.57 -1.29 -2.95 116.57 115.39 1sx4 h LYS 105 Ca -0.01 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1sx4 h LYS 105 Cb 1.25 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 1sx4 h LYS 105 CO 0.08 0.83 -0.09 0.00 -0.57 0.00 0.00 179.45 179.70 1sx4 h ALA 106 N 0.76 0.24 -0.68 3.86 0.00 -0.43 -1.97 119.26 121.04 1sx4 h ALA 106 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sx4 h ALA 106 Cb 0.64 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1sx4 h ALA 106 CO 0.04 -0.46 0.42 -0.39 0.00 0.00 0.00 179.25 178.86 1sx4 h VAL 107 N -0.00 1.18 0.00 0.00 -1.51 -1.34 0.44 116.25 115.02 1sx4 h VAL 107 Ca 0.18 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1sx4 h VAL 107 Cb 0.27 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1sx4 h VAL 107 CO -0.38 0.19 0.00 0.00 -1.23 0.00 0.00 177.57 176.15 1sx4 n ALA 108 N -2.43 2.05 1.08 5.19 0.00 -1.07 -1.46 120.51 123.86 1sx4 n ALA 108 Ca 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1sx4 n ALA 108 Cb 0.06 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.25 1sx4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sx4 n ALA 109 N -1.66 3.65 -0.27 0.00 0.00 0.15 -4.94 120.51 117.43 1sx4 n ALA 109 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1sx4 n ALA 109 Cb 0.32 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.43 1.49 4.00 0.00 0.00 -0.54 -5.09 105.19 106.48 1sx4 n GLY 110 Ca 0.08 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.14 2.31 -0.39 1.61 -1.94 -1.11 -5.04 119.30 113.60 1sx4 s MET 111 Ca 0.00 -1.11 -0.21 0.00 -1.71 0.00 0.00 55.69 52.66 1sx4 s MET 111 Cb 0.00 -2.52 0.01 0.00 2.01 0.00 0.00 34.83 34.33 1sx4 s MET 111 CO 0.00 -0.87 0.66 1.21 -0.01 0.00 0.00 175.02 176.01 1sx4 s ASN 112 N -4.54 6.41 0.32 3.03 3.84 -1.26 -4.48 114.94 118.25 1sx4 s ASN 112 Ca 0.60 0.00 0.06 0.00 0.21 0.00 0.00 52.86 53.74 1sx4 s ASN 112 Cb -0.08 -2.34 0.72 0.00 -0.55 0.00 0.00 41.25 39.00 1sx4 s ASN 112 CO 0.39 -0.69 1.83 -0.65 -2.79 0.00 0.00 177.10 175.19 1sx4 h PRO 113 N 8.63 0.78 -0.39 0.43 0.11 -1.93 -2.13 132.00 137.51 1sx4 h PRO 113 Ca -0.26 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 1sx4 h PRO 113 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1sx4 h PRO 113 CO 0.87 0.52 -0.37 1.98 -0.21 0.00 0.00 178.00 180.78 1sx4 h MET 114 N 0.81 0.92 -0.13 1.05 4.05 -1.92 -0.77 114.93 118.94 1sx4 h MET 114 Ca 0.51 -0.48 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1sx4 h MET 114 Cb 0.73 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1sx4 h MET 114 CO -0.28 1.13 -0.43 -0.44 0.23 0.00 0.00 176.91 177.13 1sx4 h ASP 115 N 0.76 0.31 -0.37 1.39 3.32 -1.81 -2.09 116.42 117.94 1sx4 h ASP 115 Ca 0.06 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1sx4 h ASP 115 Cb 0.96 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1sx4 h ASP 115 CO 0.09 0.71 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.04 1sx4 h LEU 116 N 0.25 0.82 -0.26 1.55 3.38 -0.86 0.82 115.31 121.00 1sx4 h LEU 116 Ca 0.02 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1sx4 h LEU 116 Cb 0.86 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1sx4 h LEU 116 CO 0.07 1.05 0.16 0.50 0.09 0.00 0.00 178.44 180.31 1sx4 h LYS 117 N 0.58 0.31 -0.31 1.13 3.64 -1.08 -2.20 116.57 118.65 1sx4 h LYS 117 Ca 0.08 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1sx4 h LYS 117 Cb 0.76 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 1sx4 h LYS 117 CO 0.06 0.21 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.95 1sx4 h ARG 118 N 0.32 -0.35 -0.08 1.90 2.43 -0.61 0.27 114.38 118.26 1sx4 h ARG 118 Ca 0.10 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1sx4 h ARG 118 Cb -0.01 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1sx4 h ARG 118 CO -0.04 -0.23 -0.35 0.78 -1.51 0.00 0.00 179.97 178.62 1sx4 h GLY 119 N -0.37 -1.27 -0.80 2.80 0.00 -0.66 -0.32 103.07 102.46 1sx4 h GLY 119 Ca 0.12 0.68 0.16 0.00 0.00 0.00 0.00 47.33 48.29 1sx4 h GLY 119 CO -0.50 -0.34 -0.29 -2.22 0.00 0.00 0.00 176.54 173.18 1sx4 h ILE 120 N -0.37 0.08 0.00 2.60 2.04 -1.24 -0.85 117.51 119.77 1sx4 h ILE 120 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1sx4 h ILE 120 Cb 0.43 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1sx4 h ILE 120 CO -0.28 0.00 -0.28 0.44 0.00 0.00 0.00 178.15 178.03 1sx4 h ASP 121 N -0.03 0.00 -0.10 1.72 3.32 0.52 -0.18 116.42 121.67 1sx4 h ASP 121 Ca 0.37 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 1sx4 h ASP 121 Cb 0.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1sx4 h ASP 121 CO -0.91 0.28 -0.10 0.50 -1.72 0.00 0.00 179.24 177.29 1sx4 h LYS 122 N 0.00 0.25 -0.52 3.56 3.64 -0.12 -1.59 116.57 121.79 1sx4 h LYS 122 Ca -0.00 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1sx4 h LYS 122 Cb 0.54 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1sx4 h LYS 122 CO 0.04 0.67 0.26 0.00 -2.27 0.00 0.00 179.45 178.15 1sx4 h ALA 123 N 0.58 0.66 0.63 5.00 0.00 -0.49 -0.18 119.26 125.45 1sx4 h ALA 123 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 123 Cb 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sx4 h ALA 123 CO 0.03 -0.08 -0.30 0.28 0.00 0.00 0.00 179.25 179.17 1sx4 h VAL 124 N 0.51 0.38 -0.92 0.00 2.07 -1.00 -1.88 116.25 115.41 1sx4 h VAL 124 Ca 0.23 -0.01 0.26 0.00 0.82 0.00 0.00 66.70 68.00 1sx4 h VAL 124 Cb 0.14 0.38 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 1sx4 h VAL 124 CO -0.16 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.40 1sx4 h THR 125 N -0.86 0.21 -0.06 2.57 2.02 -0.67 0.75 112.91 116.88 1sx4 h THR 125 Ca -0.09 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1sx4 h THR 125 Cb 0.66 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1sx4 h THR 125 CO 0.14 0.03 -0.06 0.00 0.37 0.00 0.00 175.52 176.00 1sx4 h ALA 126 N 1.85 0.08 -0.37 6.16 0.00 -0.92 -2.60 119.26 123.47 1sx4 h ALA 126 Ca 0.60 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1sx4 h ALA 126 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1sx4 h ALA 126 CO -0.73 -0.11 -0.36 0.00 0.00 0.00 0.00 179.25 178.05 1sx4 h ALA 127 N 0.54 0.66 -0.32 0.00 0.00 -0.08 0.08 119.26 120.14 1sx4 h ALA 127 Ca 0.01 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1sx4 h ALA 127 Cb 0.58 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1sx4 h ALA 127 CO 0.02 0.67 -0.32 0.28 0.00 0.00 0.00 179.25 179.89 1sx4 h VAL 128 N 0.72 0.25 -0.54 0.00 2.07 0.39 0.29 116.25 119.44 1sx4 h VAL 128 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 1sx4 h VAL 128 Cb 0.93 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 1sx4 h VAL 128 CO 0.09 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.34 1sx4 h GLU 129 N -0.29 -0.12 -0.58 1.57 4.57 -1.02 -2.13 114.58 116.57 1sx4 h GLU 129 Ca 0.15 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.42 1sx4 h GLU 129 Cb 0.54 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 1sx4 h GLU 129 CO -0.48 -0.08 0.21 0.93 -1.18 0.00 0.00 179.01 178.42 1sx4 h GLU 130 N -0.12 0.39 -0.93 1.92 4.39 0.46 0.18 114.58 120.87 1sx4 h GLU 130 Ca 0.24 -0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.09 1sx4 h GLU 130 Cb 0.51 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.99 1sx4 h GLU 130 CO -0.62 0.26 0.60 -0.07 -1.16 0.00 0.00 179.01 178.01 1sx4 h LEU 131 N 0.40 0.62 -1.28 1.33 4.07 0.01 -0.19 115.31 120.28 1sx4 h LEU 131 Ca 0.29 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.24 1sx4 h LEU 131 Cb 0.34 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1sx4 h LEU 131 CO -0.29 0.27 -0.20 0.11 -1.08 0.00 0.00 178.44 177.25 1sx4 h LYS 132 N 0.64 0.23 0.07 1.13 1.57 -0.03 -1.32 116.57 118.86 1sx4 h LYS 132 Ca 0.49 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.95 1sx4 h LYS 132 Cb 0.89 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1sx4 h LYS 132 CO -0.24 0.44 -1.17 0.00 -0.57 0.00 0.00 179.45 177.90 1sx4 h ALA 133 N 1.58 0.23 0.09 3.86 0.00 -0.66 -3.29 119.26 121.06 1sx4 h ALA 133 Ca 0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 54.91 53.75 1sx4 h ALA 133 Cb 0.49 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1sx4 h ALA 133 CO 0.03 1.12 -1.16 1.25 0.00 0.00 0.00 179.25 180.49 1sx4 h LEU 134 N 0.04 0.69 -5.59 0.00 5.85 -0.85 -3.46 115.31 112.00 1sx4 h LEU 134 Ca -0.09 -0.64 -0.53 0.00 0.84 0.00 0.00 57.88 57.46 1sx4 h LEU 134 Cb 1.89 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 42.72 1sx4 h LEU 134 CO 0.17 1.46 0.33 -0.24 -0.34 0.00 0.00 178.44 179.81 1sx4 n SER 135 N -3.73 0.56 -4.69 1.25 2.88 -0.52 -4.94 113.62 104.44 1sx4 n SER 135 Ca -0.11 0.73 -0.36 0.00 -1.33 0.00 0.00 58.87 57.81 1sx4 n SER 135 Cb 0.95 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.77 1sx4 n SER 135 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sx4 s VAL 136 N 1.38 5.35 0.69 2.46 1.01 -0.73 -4.92 120.40 125.65 1sx4 s VAL 136 Ca 0.63 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.72 1sx4 s VAL 136 Cb -0.90 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1sx4 s VAL 136 CO 0.47 0.37 1.17 -2.84 0.00 0.00 0.00 175.10 174.27 1sx4 s PRO 137 N 0.83 2.46 -0.30 2.72 0.02 -1.26 -1.25 135.00 138.22 1sx4 s PRO 137 Ca 0.10 1.64 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 1sx4 s PRO 137 Cb -0.13 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.60 1sx4 s PRO 137 CO 0.03 -1.56 0.08 0.00 -0.33 0.00 0.00 177.00 175.22 1sx4 n SER 139 N 4.79 1.47 -4.79 0.00 2.88 -1.26 -4.27 113.62 112.44 1sx4 n SER 139 Ca -0.02 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 1sx4 n SER 139 Cb 0.42 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1sx4 n SER 139 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1sx4 s ASP 140 N -4.46 4.21 0.33 -3.46 1.47 -1.26 -4.80 116.67 108.70 1sx4 s ASP 140 Ca 0.00 1.29 0.07 0.00 1.18 0.00 0.00 52.55 55.09 1sx4 s ASP 140 Cb 0.00 -2.00 0.75 0.00 -0.34 0.00 0.00 42.92 41.34 1sx4 s ASP 140 CO 0.00 -2.15 1.84 0.28 0.68 0.00 0.00 175.17 175.82 1sx4 h SER 141 N -1.21 0.73 -0.17 2.11 0.02 -1.98 -1.06 113.55 111.99 1sx4 h SER 141 Ca -0.48 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1sx4 h SER 141 Cb 1.28 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1sx4 h SER 141 CO 0.59 0.35 -0.01 0.50 -1.14 0.00 0.00 176.83 177.12 1sx4 h LYS 142 N 0.76 0.04 -0.40 3.45 3.64 -1.98 -2.47 116.57 119.60 1sx4 h LYS 142 Ca 0.49 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.81 1sx4 h LYS 142 Cb 0.73 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1sx4 h LYS 142 CO -0.25 0.02 0.04 0.00 -2.27 0.00 0.00 179.45 176.99 1sx4 h ALA 143 N 1.15 0.54 -0.07 5.00 0.00 -1.60 -1.47 119.26 122.81 1sx4 h ALA 143 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1sx4 h ALA 143 Cb 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1sx4 h ALA 143 CO -0.15 0.28 -0.23 0.82 0.00 0.00 0.00 179.25 179.97 1sx4 h ILE 144 N 0.53 0.45 -0.44 0.00 1.08 -1.22 -1.51 117.51 116.40 1sx4 h ILE 144 Ca 0.12 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.46 1sx4 h ILE 144 Cb 0.42 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1sx4 h ILE 144 CO 0.01 0.00 -0.24 0.00 -0.69 0.00 0.00 178.15 177.23 1sx4 h ALA 145 N 0.58 0.75 -0.19 1.87 0.00 -1.32 -0.54 119.26 120.41 1sx4 h ALA 145 Ca 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sx4 h ALA 145 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sx4 h ALA 145 CO -0.26 0.66 -0.17 0.37 0.00 0.00 0.00 179.25 179.86 1sx4 h GLN 146 N 0.78 -0.07 -0.48 0.00 5.75 -1.13 0.20 115.11 120.17 1sx4 h GLN 146 Ca 0.10 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1sx4 h GLN 146 Cb 0.80 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1sx4 h GLN 146 CO 0.07 -0.04 0.00 -0.39 -2.65 0.00 0.00 178.83 175.82 1sx4 h VAL 147 N -0.07 1.24 0.23 2.39 -1.51 -0.80 -1.14 116.25 116.60 1sx4 h VAL 147 Ca 0.03 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1sx4 h VAL 147 Cb 0.15 0.87 -0.04 0.00 -2.13 0.00 0.00 31.29 30.14 1sx4 h VAL 147 CO -0.21 0.35 -0.53 1.23 -1.23 0.00 0.00 177.57 177.18 1sx4 h GLY 148 N 0.97 -1.20 0.72 5.19 0.00 -1.03 0.12 103.07 107.83 1sx4 h GLY 148 Ca 0.15 0.63 0.05 0.00 0.00 0.00 0.00 47.33 48.16 1sx4 h GLY 148 CO 0.02 -0.30 0.29 -0.91 0.00 0.00 0.00 176.54 175.64 1sx4 h THR 149 N -0.83 0.96 -0.61 4.70 1.35 0.05 0.24 112.91 118.78 1sx4 h THR 149 Ca -0.02 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.62 1sx4 h THR 149 Cb 0.80 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 1sx4 h THR 149 CO -0.22 0.10 0.30 0.40 -0.25 0.00 0.00 175.52 175.85 1sx4 h ILE 150 N 0.56 1.21 0.00 6.82 2.04 -1.08 -1.40 117.51 125.66 1sx4 h ILE 150 Ca 0.25 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1sx4 h ILE 150 Cb 0.14 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1sx4 h ILE 150 CO -0.16 0.24 0.00 -1.28 0.00 0.00 0.00 178.15 176.95 1sx4 h SER 151 N 0.83 0.00 -0.48 1.72 0.87 0.38 -1.01 113.55 115.87 1sx4 h SER 151 Ca 0.21 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.59 1sx4 h SER 151 Cb 0.11 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.96 1sx4 h SER 151 CO -0.03 0.00 0.10 0.00 -0.53 0.00 0.00 176.83 176.37 1sx4 n ALA 152 N -1.94 4.13 -2.61 6.23 0.00 0.74 -4.43 120.51 122.64 1sx4 n ALA 152 Ca 0.01 -2.72 -0.02 0.00 0.00 0.00 0.00 53.44 50.71 1sx4 n ALA 152 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.76 -6.40 0.00 0.00 4.05 -0.38 -3.63 115.26 108.13 1sx4 n ASN 153 Ca 0.34 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.49 1sx4 n ASN 153 Cb 1.14 -4.27 0.00 0.00 1.23 0.00 0.00 39.78 37.89 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 -1.13 -3.02 -4.49 1.20 7.64 -0.63 -4.87 113.62 108.33 1sx4 n SER 154 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.49 1sx4 n SER 154 Cb 0.44 -2.02 -0.04 0.00 -1.01 0.00 0.00 64.21 61.59 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 -1.02 6.23 0.53 6.43 -1.08 -1.23 -4.93 116.67 121.61 1sx4 s ASP 155 Ca 0.00 -0.70 0.27 0.00 -0.52 0.00 0.00 52.55 51.60 1sx4 s ASP 155 Cb 0.00 -2.44 1.48 0.00 -1.46 0.00 0.00 42.92 40.50 1sx4 s ASP 155 CO 0.00 -1.40 2.10 -0.33 0.52 0.00 0.00 175.17 176.06 1sx4 h GLU 156 N 9.52 0.00 -0.15 4.34 5.08 -1.89 -2.88 114.58 128.60 1sx4 h GLU 156 Ca -0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1sx4 h GLU 156 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sx4 h GLU 156 CO 1.16 0.10 -0.49 1.79 -1.00 0.00 0.00 179.01 180.57 1sx4 h THR 157 N 0.00 1.33 -0.08 1.13 1.35 -1.98 -2.54 112.91 112.12 1sx4 h THR 157 Ca -0.00 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 1sx4 h THR 157 Cb 0.28 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1sx4 h THR 157 CO 0.01 0.52 0.01 0.58 -0.25 0.00 0.00 175.52 176.39 1sx4 h VAL 158 N 0.31 1.23 -0.69 6.82 2.07 -1.90 -1.72 116.25 122.38 1sx4 h VAL 158 Ca 0.02 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 66.96 1sx4 h VAL 158 Cb 0.97 1.55 -0.13 0.00 -1.52 0.00 0.00 31.29 32.16 1sx4 h VAL 158 CO 0.08 0.20 -0.29 1.23 0.02 0.00 0.00 177.57 178.81 1sx4 h GLY 159 N -0.13 0.14 0.50 2.17 0.00 -1.52 -2.31 103.07 101.92 1sx4 h GLY 159 Ca 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1sx4 h GLY 159 CO 0.00 -0.23 -0.45 1.70 0.00 0.00 0.00 176.54 177.56 1sx4 h LYS 160 N -0.09 -0.84 -0.94 4.80 3.64 -1.36 -1.95 116.57 119.82 1sx4 h LYS 160 Ca 0.29 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 1sx4 h LYS 160 Cb 0.55 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 1sx4 h LYS 160 CO -0.74 -0.56 0.57 -0.07 -2.27 0.00 0.00 179.45 176.37 1sx4 h LEU 161 N -0.87 0.80 0.39 5.20 4.07 -0.87 0.36 115.31 124.39 1sx4 h LEU 161 Ca -0.04 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1sx4 h LEU 161 Cb 0.79 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1sx4 h LEU 161 CO -0.10 0.41 -0.19 0.40 -1.08 0.00 0.00 178.44 177.88 1sx4 h ILE 162 N 0.87 0.60 -0.92 1.22 2.04 -1.39 -1.53 117.51 118.40 1sx4 h ILE 162 Ca 0.48 -0.40 0.23 0.00 1.00 0.00 0.00 64.86 66.17 1sx4 h ILE 162 Cb 0.53 0.79 -0.12 0.00 -0.74 0.00 0.00 36.82 37.27 1sx4 h ILE 162 CO -0.29 0.07 0.45 0.00 0.00 0.00 0.00 178.15 178.38 1sx4 h ALA 163 N -0.25 1.53 -0.22 1.87 0.00 -0.15 0.13 119.26 122.17 1sx4 h ALA 163 Ca -0.05 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 163 Cb 0.52 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1sx4 h ALA 163 CO 0.09 -0.32 -0.22 0.93 0.00 0.00 0.00 179.25 179.73 1sx4 h GLU 164 N 0.45 0.53 0.70 0.00 5.08 -0.18 -2.58 114.58 118.58 1sx4 h GLU 164 Ca 0.58 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1sx4 h GLU 164 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1sx4 h GLU 164 CO -0.51 0.86 -0.37 0.00 -1.00 0.00 0.00 179.01 177.99 1sx4 h ALA 165 N 0.66 -1.00 -1.10 3.43 0.00 0.21 -2.05 119.26 119.40 1sx4 h ALA 165 Ca 0.03 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.04 1sx4 h ALA 165 Cb 0.77 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1sx4 h ALA 165 CO 0.05 -1.07 0.72 0.52 0.00 0.00 0.00 179.25 179.47 1sx4 h MET 166 N -0.99 0.29 0.00 0.00 2.86 -1.05 0.69 114.93 116.73 1sx4 h MET 166 Ca -0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1sx4 h MET 166 Cb 0.78 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1sx4 h MET 166 CO 0.13 0.20 0.00 0.22 1.06 0.00 0.00 176.91 178.51 1sx4 h ASP 167 N 0.30 0.00 0.00 1.22 3.58 -1.00 0.69 116.42 121.21 1sx4 h ASP 167 Ca 0.63 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.75 1sx4 h ASP 167 Cb 1.76 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.75 1sx4 h ASP 167 CO -0.30 0.00 -2.26 0.29 -2.88 0.00 0.00 179.24 174.09 1sx4 n LYS 168 N -3.01 0.55 0.00 0.28 5.02 0.23 -4.69 118.16 116.53 1sx4 n LYS 168 Ca 0.01 0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1sx4 n LYS 168 Cb 0.32 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.24 0.00 0.00 -0.18 3.14 -0.68 -5.11 118.33 112.26 1sx4 n VAL 169 Ca -0.40 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1sx4 n VAL 169 Cb 0.91 1.07 0.00 0.00 -1.06 0.00 0.00 33.84 34.75 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 0.30 1.71 0.00 7.55 0.00 0.24 -2.62 105.19 112.36 1sx4 n GLY 170 Ca 0.02 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 1.88 0.03 -0.01 1.61 5.02 -1.25 -2.96 118.16 122.49 1sx4 n LYS 171 Ca 0.00 0.21 -0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1sx4 n LYS 171 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 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 1.85 0.00 3.64 -3.84 0.00 -1.08 -4.70 105.19 101.06 1sx4 n GLY 173 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.86 -0.26 1.61 1.01 -1.26 -4.87 120.40 120.50 1sx4 s VAL 174 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1sx4 s VAL 174 Cb 0.00 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1sx4 s VAL 174 CO 0.00 -0.26 -0.05 -0.63 0.00 0.00 0.00 175.10 174.15 1sx4 s ILE 175 N 4.57 2.84 0.37 2.22 1.01 -1.26 -0.76 121.20 130.20 1sx4 s ILE 175 Ca 0.66 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1sx4 s ILE 175 Cb -0.24 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 1sx4 s ILE 175 CO 0.26 0.12 0.06 0.42 0.00 0.00 0.00 174.94 175.80 1sx4 s THR 176 N 1.30 2.43 -0.08 2.92 -4.23 -0.39 -4.99 115.64 112.60 1sx4 s THR 176 Ca -0.01 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1sx4 s THR 176 Cb -0.17 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1sx4 s THR 176 CO -0.04 -0.11 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.03 1sx4 s VAL 177 N -2.57 2.37 0.21 2.29 1.01 -1.26 -0.42 120.40 122.02 1sx4 s VAL 177 Ca 0.37 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1sx4 s VAL 177 Cb 0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1sx4 s VAL 177 CO 0.20 0.56 -0.16 -1.61 0.00 0.00 0.00 175.10 174.09 1sx4 s GLU 178 N 0.01 1.36 0.36 2.72 2.02 -0.19 -4.94 118.70 120.05 1sx4 s GLU 178 Ca -0.07 -1.58 -0.28 0.00 0.02 0.00 0.00 54.97 53.06 1sx4 s GLU 178 Cb -0.15 -1.25 -0.11 0.00 0.10 0.00 0.00 34.13 32.72 1sx4 s GLU 178 CO 0.05 0.22 1.49 -0.51 0.02 0.00 0.00 175.26 176.53 1sx4 s ASP 179 N -3.21 6.36 0.30 -0.19 1.11 -1.26 -2.39 116.67 117.40 1sx4 s ASP 179 Ca 0.22 3.02 -0.12 0.00 0.18 0.00 0.00 52.55 55.86 1sx4 s ASP 179 Cb -0.02 -2.66 -0.08 0.00 1.07 0.00 0.00 42.92 41.23 1sx4 s ASP 179 CO 0.08 -0.86 0.66 -0.83 1.18 0.00 0.00 175.17 175.39 1sx4 s GLY 180 N -0.09 2.22 -0.01 0.21 0.00 -0.50 -4.62 107.32 104.54 1sx4 s GLY 180 Ca 0.54 -0.16 0.13 0.00 0.00 0.00 0.00 44.72 45.23 1sx4 s GLY 180 CO 0.61 0.01 0.47 -1.30 0.00 0.00 0.00 173.10 172.90 1sx4 n THR 181 N -0.45 0.00 -1.71 0.90 -2.24 -1.26 -4.83 114.28 104.68 1sx4 n THR 181 Ca 0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1sx4 n THR 181 Cb 0.53 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.43 4.39 0.01 3.38 0.00 -1.26 -5.02 105.19 108.12 1sx4 n GLY 182 Ca 0.01 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 0.47 -4.76 0.99 7.94 -1.26 -3.60 117.00 116.78 1sx4 n LEU 183 Ca 0.00 -0.23 -0.40 0.00 -1.11 0.00 0.00 56.01 54.28 1sx4 n LEU 183 Cb 0.00 -0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.89 1sx4 n LEU 183 CO 0.00 0.11 0.45 -1.10 -1.11 0.00 0.00 177.39 175.74 1sx4 s GLN 184 N -3.28 4.48 0.53 1.96 -1.52 -1.26 -3.41 119.66 117.17 1sx4 s GLN 184 Ca -0.01 1.04 -0.21 0.00 -1.95 0.00 0.00 55.36 54.24 1sx4 s GLN 184 Cb 0.15 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.55 1sx4 s GLN 184 CO 0.89 0.37 1.24 -0.51 -0.25 0.00 0.00 175.29 177.03 1sx4 s ASP 185 N -0.35 5.55 0.07 5.90 1.01 -1.26 -3.82 116.67 123.77 1sx4 s ASP 185 Ca 0.37 2.48 0.04 0.00 0.71 0.00 0.00 52.55 56.15 1sx4 s ASP 185 Cb -0.21 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.08 1sx4 s ASP 185 CO 0.23 -1.36 -0.12 -1.61 0.21 0.00 0.00 175.17 172.52 1sx4 s GLU 186 N -2.98 0.76 -0.15 8.23 2.02 -0.97 -4.94 118.70 120.67 1sx4 s GLU 186 Ca 0.71 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1sx4 s GLU 186 Cb -0.33 -0.66 0.04 0.00 0.10 0.00 0.00 34.13 33.27 1sx4 s GLU 186 CO 0.38 0.14 -0.05 -1.17 0.02 0.00 0.00 175.26 174.58 1sx4 s LEU 187 N -1.83 1.43 -0.04 1.80 0.20 -1.26 -0.86 118.68 118.12 1sx4 s LEU 187 Ca -0.02 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.28 1sx4 s LEU 187 Cb -0.09 -0.85 -0.00 0.00 -0.43 0.00 0.00 46.19 44.82 1sx4 s LEU 187 CO 0.02 -0.18 -0.16 -1.81 -0.29 0.00 0.00 176.35 173.93 1sx4 s ASP 188 N 1.68 2.02 0.19 3.68 1.01 -0.71 -5.00 116.67 119.54 1sx4 s ASP 188 Ca 0.02 -0.33 -0.13 0.00 0.71 0.00 0.00 52.55 52.83 1sx4 s ASP 188 Cb -0.15 -0.54 -0.07 0.00 1.01 0.00 0.00 42.92 43.17 1sx4 s ASP 188 CO -0.08 0.14 0.57 0.68 0.21 0.00 0.00 175.17 176.69 1sx4 s VAL 189 N 0.04 4.87 0.06 -1.27 -7.23 -1.26 -0.10 120.40 115.51 1sx4 s VAL 189 Ca -0.03 0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 60.61 1sx4 s VAL 189 Cb -0.11 -3.68 0.06 0.00 0.56 0.00 0.00 36.38 33.21 1sx4 s VAL 189 CO 0.02 0.09 0.55 0.54 -0.31 0.00 0.00 175.10 175.99 1sx4 s VAL 190 N -1.64 0.02 0.19 1.32 0.11 -0.74 -4.96 120.40 114.70 1sx4 s VAL 190 Ca 0.43 -0.17 -0.32 0.00 -2.93 0.00 0.00 61.98 58.99 1sx4 s VAL 190 Cb -0.13 -0.99 -0.11 0.00 -1.53 0.00 0.00 36.38 33.62 1sx4 s VAL 190 CO 0.20 -0.09 1.61 -1.61 -3.33 0.00 0.00 175.10 171.88 1sx4 s GLU 191 N -2.63 4.18 0.00 1.54 0.41 -1.26 -1.47 118.70 119.47 1sx4 s GLU 191 Ca -0.04 2.45 0.00 0.00 -0.41 0.00 0.00 54.97 56.97 1sx4 s GLU 191 Cb -0.00 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 1sx4 s GLU 191 CO -0.03 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 1sx4 n GLY 192 N 3.63 0.89 0.00 -1.39 0.00 -1.26 -1.62 105.19 105.43 1sx4 n GLY 192 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.30 1.61 1.56 -0.99 -4.60 117.12 110.41 1sx4 n MET 193 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.25 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 0.72 0.06 2.12 0.74 -1.26 -0.32 119.66 119.71 1sx4 s GLN 194 Ca 0.00 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 54.95 1sx4 s GLN 194 Cb 0.00 -0.67 -0.03 0.00 1.10 0.00 0.00 33.01 33.41 1sx4 s GLN 194 CO 0.00 0.17 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.23 1sx4 s PHE 195 N -0.54 0.84 -1.20 1.67 -0.71 0.32 -5.00 117.98 113.35 1sx4 s PHE 195 Ca 0.01 -0.56 -0.14 0.00 -1.04 0.00 0.00 56.93 55.20 1sx4 s PHE 195 Cb -0.05 -0.49 -0.06 0.00 -1.21 0.00 0.00 43.02 41.21 1sx4 s PHE 195 CO 0.00 -0.05 2.26 -0.25 -1.34 0.00 0.00 175.22 175.83 1sx4 n ASP 196 N 1.15 4.56 -4.01 1.98 8.00 -1.26 -1.71 116.55 125.25 1sx4 n ASP 196 Ca -0.20 -2.66 -0.13 0.00 0.71 0.00 0.00 54.79 52.50 1sx4 n ASP 196 Cb 0.56 -1.39 -0.12 0.00 -0.02 0.00 0.00 41.12 40.14 1sx4 n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sx4 s ARG 197 N 3.56 0.44 0.28 -1.24 1.81 -1.20 -4.89 118.95 117.71 1sx4 s ARG 197 Ca 0.53 -0.52 0.11 0.00 -1.72 0.00 0.00 55.73 54.13 1sx4 s ARG 197 Cb 0.14 -0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 1sx4 s ARG 197 CO -0.02 0.06 -0.10 0.20 -0.68 0.00 0.00 175.30 174.76 1sx4 s GLY 198 N -1.01 1.80 0.47 -3.53 0.00 -1.26 -1.16 107.32 102.64 1sx4 s GLY 198 Ca -0.06 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.66 1sx4 s GLY 198 CO 0.00 -1.86 0.33 1.58 0.00 0.00 0.00 173.10 173.15 1sx4 n TYR 199 N -0.76 -1.30 1.18 1.90 0.18 -0.97 -4.40 117.16 112.99 1sx4 n TYR 199 Ca -0.06 0.54 0.13 0.00 1.88 0.00 0.00 57.90 60.39 1sx4 n TYR 199 Cb 0.60 -1.88 0.44 0.00 -0.38 0.00 0.00 39.34 38.11 1sx4 n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1sx4 n LEU 200 N 1.51 0.54 -3.64 -3.48 4.77 -0.82 -4.84 117.00 111.04 1sx4 n LEU 200 Ca 0.11 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1sx4 n LEU 200 Cb 0.43 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1sx4 n LEU 200 CO 0.54 0.11 0.44 -0.55 -1.33 0.00 0.00 177.39 176.60 1sx4 s SER 201 N -2.73 -0.82 0.63 -1.43 0.15 -1.26 -5.04 113.70 103.20 1sx4 s SER 201 Ca 0.20 1.34 0.38 0.00 0.70 0.00 0.00 55.95 58.57 1sx4 s SER 201 Cb 0.19 1.34 2.12 0.00 -1.71 0.00 0.00 66.02 67.96 1sx4 s SER 201 CO 0.57 -0.21 2.30 -0.65 1.20 0.00 0.00 173.24 176.44 1sx4 h PRO 202 N 6.61 0.00 0.00 5.44 0.11 -2.01 -1.61 132.00 140.53 1sx4 h PRO 202 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sx4 h PRO 202 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sx4 h PRO 202 CO 0.16 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.62 1sx4 n TYR 203 N -3.36 0.00 0.17 0.65 4.01 -1.26 -1.78 117.16 115.59 1sx4 n TYR 203 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1sx4 n TYR 203 Cb 0.10 -0.37 0.26 0.00 -0.31 0.00 0.00 39.34 39.02 1sx4 n TYR 203 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1sx4 h PHE 204 N 0.00 0.00 -1.62 -0.72 0.04 -1.64 -3.46 116.94 109.55 1sx4 h PHE 204 Ca 0.00 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.05 1sx4 h PHE 204 Cb 0.22 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.39 1sx4 h PHE 204 CO 0.00 0.46 0.90 -0.89 -0.60 0.00 0.00 178.31 178.18 1sx4 n ILE 205 N -3.57 0.32 0.50 -0.55 5.41 -0.73 -4.78 119.36 115.95 1sx4 n ILE 205 Ca -0.00 -0.06 0.07 0.00 1.00 0.00 0.00 62.75 63.76 1sx4 n ILE 205 Cb 0.56 -1.28 0.08 0.00 -0.71 0.00 0.00 39.64 38.29 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 5.35 2.30 -3.32 4.38 0.23 -1.17 -4.78 115.26 118.25 1sx4 n ASN 206 Ca 0.25 -1.64 -0.26 0.00 -0.53 0.00 0.00 54.58 52.41 1sx4 n ASN 206 Cb 0.15 -0.03 -0.09 0.00 -2.08 0.00 0.00 39.78 37.73 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 0.80 0.64 0.11 -3.83 5.02 -0.99 -4.99 118.16 114.93 1sx4 n LYS 207 Ca 0.09 -3.34 0.05 0.00 -2.02 0.00 0.00 58.31 53.10 1sx4 n LYS 207 Cb 0.37 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.16 1sx4 n LYS 207 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1sx4 n PRO 208 N 1.99 0.07 0.20 1.97 -0.04 -1.26 -1.55 135.00 136.37 1sx4 n PRO 208 Ca 0.25 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1sx4 n PRO 208 Cb 0.49 -1.93 0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.05 0.54 3.07 -1.95 -2.66 114.58 113.53 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 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1sx4 h GLU 209 CO 0.00 0.02 0.00 2.41 -1.40 0.00 0.00 179.01 180.04 1sx4 n THR 210 N -3.03 0.04 -4.14 1.13 -1.04 -0.60 -4.97 114.28 101.67 1sx4 n THR 210 Ca 0.03 -0.52 -0.37 0.00 -2.04 0.00 0.00 64.05 61.16 1sx4 n THR 210 Cb 0.54 1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 70.45 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 1.28 -0.47 3.22 3.41 0.00 -1.00 -4.92 105.19 106.71 1sx4 n GLY 211 Ca 0.13 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.28 -0.16 4.61 0.00 -1.23 -4.48 121.76 116.29 1sx4 s ALA 212 Ca 0.23 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1sx4 s ALA 212 Cb -0.12 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1sx4 s ALA 212 CO 0.97 -0.53 0.02 0.08 0.00 0.00 0.00 175.76 176.29 1sx4 s VAL 213 N -3.86 4.40 -0.28 0.00 1.01 -0.58 -2.34 120.40 118.75 1sx4 s VAL 213 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1sx4 s VAL 213 Cb 0.04 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1sx4 s VAL 213 CO -0.10 0.49 0.08 -0.70 0.00 0.00 0.00 175.10 174.87 1sx4 s GLU 214 N 0.19 0.72 -0.06 2.72 2.12 -1.26 -0.79 118.70 122.33 1sx4 s GLU 214 Ca 0.02 -0.89 -0.02 0.00 0.36 0.00 0.00 54.97 54.43 1sx4 s GLU 214 Cb -0.13 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1sx4 s GLU 214 CO 0.01 -0.89 0.06 -0.51 -0.54 0.00 0.00 175.26 173.40 1sx4 s LEU 215 N 1.69 3.89 -0.23 2.70 1.43 -0.51 -4.98 118.68 122.67 1sx4 s LEU 215 Ca 0.07 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1sx4 s LEU 215 Cb -0.17 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1sx4 s LEU 215 CO -0.21 0.34 -0.02 -1.61 0.23 0.00 0.00 176.35 175.08 1sx4 s GLU 216 N -1.27 3.37 -1.50 1.70 2.02 -1.26 -2.65 118.70 119.12 1sx4 s GLU 216 Ca 0.18 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1sx4 s GLU 216 Cb -0.12 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1sx4 s GLU 216 CO 0.07 -0.22 0.45 0.43 0.02 0.00 0.00 175.26 176.02 1sx4 n SER 217 N 4.81 -5.79 -4.78 -0.19 7.64 -0.91 -4.62 113.62 109.78 1sx4 n SER 217 Ca -0.18 -0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.16 1sx4 n SER 217 Cb 0.51 -4.65 0.03 0.00 -1.01 0.00 0.00 64.21 59.08 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 -5.49 3.05 0.51 1.43 0.04 -1.18 -4.79 135.00 128.57 1sx4 s PRO 218 Ca 0.23 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1sx4 s PRO 218 Cb -0.10 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1sx4 s PRO 218 CO 0.28 -1.04 0.97 -0.06 0.04 0.00 0.00 177.00 177.18 1sx4 s PHE 219 N -2.35 3.47 -0.21 0.56 0.08 -0.86 -3.10 117.98 115.58 1sx4 s PHE 219 Ca 0.66 1.41 0.00 0.00 0.12 0.00 0.00 56.93 59.12 1sx4 s PHE 219 Cb -0.19 -2.75 0.05 0.00 -0.57 0.00 0.00 43.02 39.56 1sx4 s PHE 219 CO 0.39 -0.36 -0.06 0.42 -0.10 0.00 0.00 175.22 175.50 1sx4 s ILE 220 N -2.63 1.41 -0.03 0.64 1.01 0.91 -1.48 121.20 121.02 1sx4 s ILE 220 Ca 0.58 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1sx4 s ILE 220 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1sx4 s ILE 220 CO 0.33 0.02 1.11 -0.22 0.00 0.00 0.00 174.94 176.18 1sx4 s LEU 221 N 1.48 4.31 -0.67 2.97 2.96 0.00 0.15 118.68 129.88 1sx4 s LEU 221 Ca -0.03 1.75 0.04 0.00 -0.22 0.00 0.00 54.13 55.68 1sx4 s LEU 221 Cb -0.17 -3.56 0.29 0.00 0.50 0.00 0.00 46.19 43.25 1sx4 s LEU 221 CO -0.07 -0.46 0.95 0.18 -1.32 0.00 0.00 176.35 175.63 1sx4 n LEU 222 N 4.62 4.48 -4.73 -0.68 4.77 -1.26 -0.97 117.00 123.24 1sx4 n LEU 222 Ca 0.09 -5.52 -0.40 0.00 -0.03 0.00 0.00 56.01 50.15 1sx4 n LEU 222 Cb 0.48 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1sx4 n LEU 222 CO 0.54 2.15 0.43 0.00 -1.33 0.00 0.00 177.39 179.18 1sx4 s ALA 223 N -3.01 3.34 -1.08 -1.18 0.00 -1.17 -2.35 121.76 116.32 1sx4 s ALA 223 Ca 0.43 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 1sx4 s ALA 223 Cb 0.19 -2.98 0.28 0.00 0.00 0.00 0.00 23.12 20.62 1sx4 s ALA 223 CO -0.06 -0.04 1.20 -3.47 0.00 0.00 0.00 175.76 173.39 1sx4 n ASP 224 N 3.41 5.67 -3.58 0.00 2.03 -0.48 -3.22 116.55 120.37 1sx4 n ASP 224 Ca -0.01 -3.18 0.04 0.00 0.52 0.00 0.00 54.79 52.15 1sx4 n ASP 224 Cb 0.51 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 -1.83 0.03 -0.15 -0.67 -2.85 -1.26 -3.88 119.74 109.12 1sx4 s LYS 225 Ca 0.31 -0.01 -0.22 0.00 -1.00 0.00 0.00 55.97 55.04 1sx4 s LYS 225 Cb -0.04 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 1sx4 s LYS 225 CO -0.02 -0.01 0.68 0.15 0.10 0.00 0.00 175.35 176.25 1sx4 s LYS 226 N -2.03 4.30 -0.40 1.78 1.02 -1.26 -1.81 119.74 121.35 1sx4 s LYS 226 Ca 0.16 0.77 -0.17 0.00 0.02 0.00 0.00 55.97 56.74 1sx4 s LYS 226 Cb 0.07 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1sx4 s LYS 226 CO -0.07 -0.16 0.46 0.42 -0.92 0.00 0.00 175.35 175.09 1sx4 s ILE 227 N 1.60 5.06 -0.15 2.17 1.01 -0.23 -4.91 121.20 125.75 1sx4 s ILE 227 Ca 0.33 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1sx4 s ILE 227 Cb -0.16 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 1sx4 s ILE 227 CO 0.13 -0.35 -0.17 -1.20 0.00 0.00 0.00 174.94 173.35 1sx4 n SER 228 N 5.66 1.81 -4.79 3.58 7.64 -1.26 -0.61 113.62 125.65 1sx4 n SER 228 Ca -0.07 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1sx4 n SER 228 Cb 0.48 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 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 -5.95 5.99 0.07 6.43 0.01 -1.26 -1.45 114.94 118.78 1sx4 s ASN 229 Ca -0.20 0.33 0.23 0.00 -0.71 0.00 0.00 52.86 52.51 1sx4 s ASN 229 Cb 0.07 -1.90 0.95 0.00 0.41 0.00 0.00 41.25 40.78 1sx4 s ASN 229 CO 0.29 0.36 1.74 0.00 -1.51 0.00 0.00 177.10 177.98 1sx4 n ILE 230 N 2.28 0.50 -0.05 0.60 3.06 -1.26 -3.41 119.36 121.07 1sx4 n ILE 230 Ca -0.19 0.06 -0.08 0.00 -2.50 0.00 0.00 62.75 60.04 1sx4 n ILE 230 Cb 0.54 -0.75 -0.02 0.00 0.54 0.00 0.00 39.64 39.96 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 0.03 -0.26 9.51 3.08 -2.02 -1.49 114.38 123.24 1sx4 h ARG 231 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1sx4 h ARG 231 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1sx4 h ARG 231 CO 0.00 0.02 0.23 0.93 -1.07 0.00 0.00 179.97 180.08 1sx4 h GLU 232 N 0.03 0.00 0.09 0.04 5.08 -1.95 -3.06 114.58 114.82 1sx4 h GLU 232 Ca 0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 1sx4 h GLU 232 Cb 0.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 1sx4 h GLU 232 CO -0.22 0.00 -1.01 0.52 -1.00 0.00 0.00 179.01 177.31 1sx4 h MET 233 N 0.00 0.52 -0.41 2.33 2.86 -1.45 -3.16 114.93 115.62 1sx4 h MET 233 Ca 0.12 -0.68 0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1sx4 h MET 233 Cb 0.58 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1sx4 h MET 233 CO -0.00 1.29 0.47 -0.07 1.06 0.00 0.00 176.91 179.66 1sx4 h LEU 234 N 0.07 0.00 -0.45 1.22 3.38 -1.40 0.24 115.31 118.37 1sx4 h LEU 234 Ca -0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1sx4 h LEU 234 Cb 1.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1sx4 h LEU 234 CO 0.19 0.00 -0.24 1.55 0.09 0.00 0.00 178.44 180.03 1sx4 h PRO 235 N 0.00 0.96 -0.01 1.13 0.13 -1.83 -3.15 132.00 129.24 1sx4 h PRO 235 Ca 0.20 -0.43 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1sx4 h PRO 235 Cb 1.13 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.26 1sx4 h PRO 235 CO -0.00 1.10 -0.77 0.28 -0.23 0.00 0.00 178.00 178.38 1sx4 h VAL 236 N 0.80 1.37 0.00 1.56 2.07 -0.74 -2.86 116.25 118.45 1sx4 h VAL 236 Ca 0.10 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1sx4 h VAL 236 Cb 0.82 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1sx4 h VAL 236 CO 0.07 0.64 -0.03 -0.07 0.02 0.00 0.00 177.57 178.20 1sx4 h LEU 237 N 0.10 0.00 0.09 2.57 3.38 -1.60 -1.57 115.31 118.28 1sx4 h LEU 237 Ca -0.09 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 1sx4 h LEU 237 Cb 1.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1sx4 h LEU 237 CO 0.15 0.03 -1.40 -0.33 0.09 0.00 0.00 178.44 176.98 1sx4 h GLU 238 N 0.00 0.19 -0.11 1.13 5.08 -1.50 -2.05 114.58 117.32 1sx4 h GLU 238 Ca -0.00 -0.33 -0.20 0.00 -1.00 0.00 0.00 59.36 57.83 1sx4 h GLU 238 Cb 0.24 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1sx4 h GLU 238 CO 0.00 1.06 -0.75 0.00 -1.00 0.00 0.00 179.01 178.33 1sx4 h ALA 239 N 0.63 0.48 -0.21 3.43 0.00 -1.25 -2.93 119.26 119.41 1sx4 h ALA 239 Ca -0.19 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 1sx4 h ALA 239 Cb 1.97 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1sx4 h ALA 239 CO 0.16 0.73 -0.18 0.28 0.00 0.00 0.00 179.25 180.24 1sx4 h VAL 240 N 0.39 1.32 -0.09 0.00 2.07 -1.39 -2.46 116.25 116.09 1sx4 h VAL 240 Ca -0.04 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1sx4 h VAL 240 Cb 1.35 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1sx4 h VAL 240 CO 0.14 0.40 0.01 0.00 0.02 0.00 0.00 177.57 178.15 1sx4 h ALA 241 N 0.67 1.87 0.06 1.67 0.00 -1.42 -2.74 119.26 119.36 1sx4 h ALA 241 Ca 0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1sx4 h ALA 241 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 241 CO 0.05 0.11 -1.08 0.87 0.00 0.00 0.00 179.25 179.19 1sx4 h LYS 242 N 0.12 0.18 0.00 0.00 1.57 -1.44 -2.94 116.57 114.06 1sx4 h LYS 242 Ca 0.03 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1sx4 h LYS 242 Cb 0.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sx4 h LYS 242 CO -0.00 1.09 0.00 0.00 -0.57 0.00 0.00 179.45 179.97 1sx4 n ALA 243 N -2.46 2.44 -3.97 3.86 0.00 -0.93 -4.90 120.51 114.54 1sx4 n ALA 243 Ca -0.05 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1sx4 n ALA 243 Cb 0.95 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 0.57 -0.45 3.22 0.00 0.00 -1.10 -4.98 105.19 102.45 1sx4 n GLY 244 Ca 0.17 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 1sx4 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx4 s LYS 245 N -6.63 0.97 0.93 1.61 1.02 -1.18 -5.08 119.74 111.39 1sx4 s LYS 245 Ca 0.57 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.22 1sx4 s LYS 245 Cb -0.29 -0.81 0.16 0.00 -0.52 0.00 0.00 37.83 36.36 1sx4 s LYS 245 CO 0.85 0.15 1.20 -1.25 -0.92 0.00 0.00 175.35 175.38 1sx4 s PRO 246 N -2.65 0.92 -0.08 -1.68 0.04 -1.26 -4.61 135.00 125.68 1sx4 s PRO 246 Ca 0.07 -0.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.07 1sx4 s PRO 246 Cb -0.05 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1sx4 s PRO 246 CO 0.02 -2.29 0.19 -1.17 0.04 0.00 0.00 177.00 173.80 1sx4 s LEU 247 N -5.99 0.79 -0.24 -3.56 2.96 -1.12 -2.02 118.68 109.50 1sx4 s LEU 247 Ca 0.67 0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 54.90 1sx4 s LEU 247 Cb -0.10 0.58 -0.04 0.00 0.50 0.00 0.00 46.19 47.13 1sx4 s LEU 247 CO 0.52 -0.13 0.10 -0.22 -1.32 0.00 0.00 176.35 175.30 1sx4 s LEU 248 N 0.87 3.66 -0.19 -0.68 2.96 -0.55 -1.64 118.68 123.10 1sx4 s LEU 248 Ca -0.06 -0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.60 1sx4 s LEU 248 Cb -0.08 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1sx4 s LEU 248 CO -0.05 0.01 0.35 -0.63 -1.32 0.00 0.00 176.35 174.71 1sx4 s ILE 249 N 1.38 5.24 -0.65 6.68 -1.09 0.18 -0.82 121.20 132.14 1sx4 s ILE 249 Ca 0.06 0.62 0.05 0.00 -2.23 0.00 0.00 60.65 59.14 1sx4 s ILE 249 Cb -0.15 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.22 1sx4 s ILE 249 CO 0.05 0.30 0.47 -0.63 -1.23 0.00 0.00 174.94 173.89 1sx4 s ILE 250 N 1.06 2.38 0.53 2.92 1.01 -0.14 -1.13 121.20 127.83 1sx4 s ILE 250 Ca 0.17 -3.97 0.06 0.00 0.00 0.00 0.00 60.65 56.91 1sx4 s ILE 250 Cb -0.14 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.79 1sx4 s ILE 250 CO 0.07 -1.06 0.39 0.00 0.00 0.00 0.00 174.94 174.34 1sx4 s ALA 251 N -1.17 4.37 0.25 9.38 0.00 -1.23 -3.02 121.76 130.34 1sx4 s ALA 251 Ca 0.27 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1sx4 s ALA 251 Cb -0.02 -0.71 0.47 0.00 0.00 0.00 0.00 23.12 22.85 1sx4 s ALA 251 CO -0.18 -0.42 1.73 1.49 0.00 0.00 0.00 175.76 178.39 1sx4 h GLU 252 N 0.80 0.45 -2.44 0.00 4.81 -1.32 -0.02 114.58 116.85 1sx4 h GLU 252 Ca -0.37 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 58.99 1sx4 h GLU 252 Cb 1.30 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1sx4 h GLU 252 CO 0.58 0.30 0.47 0.34 -0.73 0.00 0.00 179.01 179.97 1sx4 s ASP 253 N -5.35 -0.14 -0.06 1.04 -1.08 -1.24 -3.99 116.67 105.84 1sx4 s ASP 253 Ca -0.12 -0.50 -0.01 0.00 -0.52 0.00 0.00 52.55 51.40 1sx4 s ASP 253 Cb 0.21 0.52 0.03 0.00 -1.46 0.00 0.00 42.92 42.22 1sx4 s ASP 253 CO 0.77 -0.99 0.01 -0.69 0.52 0.00 0.00 175.17 174.78 1sx4 s VAL 254 N -3.11 0.33 0.05 1.11 1.01 -1.26 -1.07 120.40 117.45 1sx4 s VAL 254 Ca 0.14 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1sx4 s VAL 254 Cb -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1sx4 s VAL 254 CO 0.04 0.24 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 1sx4 s GLU 255 N 1.89 2.25 0.00 2.72 2.02 0.22 -4.68 118.70 123.13 1sx4 s GLU 255 Ca 0.03 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1sx4 s GLU 255 Cb -0.12 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1sx4 s GLU 255 CO -0.05 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1sx4 n GLY 256 N 1.31 0.21 0.00 -1.39 0.00 -1.26 -2.45 105.19 101.60 1sx4 n GLY 256 Ca -0.15 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.13 1.61 0.00 -1.26 -0.29 120.64 120.84 1sx4 n GLU 257 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 57.16 57.99 1sx4 n GLU 257 Cb 0.00 -1.23 0.67 0.00 0.00 0.00 0.00 31.44 30.88 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 -1.57 2.24 0.41 4.31 0.00 -0.91 -0.70 119.26 123.03 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 17.81 1sx4 h ALA 258 CO 0.00 -0.32 -0.20 1.25 0.00 0.00 0.00 179.25 179.98 1sx4 h LEU 259 N 0.00 -0.46 -2.34 0.00 5.85 -1.26 -1.28 115.31 115.81 1sx4 h LEU 259 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1sx4 h LEU 259 Cb 0.50 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1sx4 h LEU 259 CO -0.00 -0.23 0.14 0.00 -0.34 0.00 0.00 178.44 178.01 1sx4 h ALA 260 N -1.55 1.14 0.31 1.25 0.00 -0.43 -0.77 119.26 119.20 1sx4 h ALA 260 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sx4 h ALA 260 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sx4 h ALA 260 CO 0.09 -0.14 -0.15 1.15 0.00 0.00 0.00 179.25 180.21 1sx4 h THR 261 N 0.00 0.18 -0.42 0.00 2.02 -1.07 -2.93 112.91 110.69 1sx4 h THR 261 Ca 0.00 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1sx4 h THR 261 Cb 0.28 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1sx4 h THR 261 CO 0.00 0.05 0.28 -0.07 0.37 0.00 0.00 175.52 176.15 1sx4 h LEU 262 N -1.07 0.34 0.37 2.58 3.38 -0.70 0.51 115.31 120.72 1sx4 h LEU 262 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1sx4 h LEU 262 Cb 0.40 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sx4 h LEU 262 CO 0.07 0.23 -0.26 0.58 0.09 0.00 0.00 178.44 179.15 1sx4 h VAL 263 N 0.40 0.46 0.00 1.22 2.07 -1.26 -2.03 116.25 117.10 1sx4 h VAL 263 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1sx4 h VAL 263 Cb 0.20 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1sx4 h VAL 263 CO -0.04 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.07 1sx4 n VAL 264 N -5.39 0.41 0.13 2.57 0.31 -0.84 -1.45 118.33 114.07 1sx4 n VAL 264 Ca -0.10 0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1sx4 n VAL 264 Cb 0.29 -0.72 0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -0.47 -3.27 115.58 116.10 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 0.39 -1.04 0.35 -1.06 0.00 0.00 177.43 176.07 1sx4 n THR 266 N -3.10 0.00 0.07 2.81 -2.24 -0.80 -1.49 114.28 109.53 1sx4 n THR 266 Ca -0.00 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1sx4 n THR 266 Cb 0.71 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.12 -0.02 -0.78 -1.53 -1.33 -3.07 114.93 108.08 1sx4 h MET 267 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1sx4 h MET 267 Cb 0.50 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 1sx4 h MET 267 CO 0.00 0.07 0.00 0.54 0.14 0.00 0.00 176.91 177.66 1sx4 n ARG 268 N -5.07 1.55 -3.21 0.39 1.74 -1.23 -4.97 116.66 105.87 1sx4 n ARG 268 Ca -0.08 -0.81 -0.15 0.00 -0.77 0.00 0.00 57.85 56.04 1sx4 n ARG 268 Cb 0.14 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.14 -0.18 0.07 -0.13 0.00 -1.16 -4.97 105.19 99.95 1sx4 n GLY 269 Ca 0.20 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.75 1.37 -3.30 -0.61 2.04 -1.57 -3.44 117.51 110.24 1sx4 h ILE 270 Ca -0.44 -2.05 -0.48 0.00 1.00 0.00 0.00 64.86 62.88 1sx4 h ILE 270 Cb 1.27 2.61 -0.36 0.00 -0.74 0.00 0.00 36.82 39.60 1sx4 h ILE 270 CO 0.40 0.46 -0.79 -0.69 0.00 0.00 0.00 178.15 177.53 1sx4 s VAL 271 N -2.10 0.83 -0.02 1.67 1.01 -1.14 -5.04 120.40 115.62 1sx4 s VAL 271 Ca -0.16 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1sx4 s VAL 271 Cb -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1sx4 s VAL 271 CO 0.54 0.32 1.38 -0.54 0.00 0.00 0.00 175.10 176.80 1sx4 s LYS 272 N 1.37 4.28 0.04 2.72 3.01 -1.26 -3.89 119.74 126.01 1sx4 s LYS 272 Ca -0.03 1.92 -0.08 0.00 -1.01 0.00 0.00 55.97 56.77 1sx4 s LYS 272 Cb -0.14 -3.60 -0.00 0.00 -1.01 0.00 0.00 37.83 33.08 1sx4 s LYS 272 CO -0.03 -0.58 0.17 0.08 0.51 0.00 0.00 175.35 175.50 1sx4 s VAL 273 N 2.51 0.11 -0.08 3.17 1.01 -1.26 -2.81 120.40 123.05 1sx4 s VAL 273 Ca 0.63 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1sx4 s VAL 273 Cb -0.30 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1sx4 s VAL 273 CO 0.25 -0.52 0.40 0.00 0.00 0.00 0.00 175.10 175.24 1sx4 s ALA 274 N -2.53 -1.01 0.04 5.51 0.00 -0.65 -4.90 121.76 118.21 1sx4 s ALA 274 Ca -0.05 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1sx4 s ALA 274 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1sx4 s ALA 274 CO -0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 175.76 175.32 1sx4 s ALA 275 N -0.67 1.28 -0.03 0.00 0.00 -1.26 -0.64 121.76 120.44 1sx4 s ALA 275 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1sx4 s ALA 275 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1sx4 s ALA 275 CO 0.03 0.26 0.13 0.14 0.00 0.00 0.00 175.76 176.33 1sx4 s VAL 276 N -0.81 0.03 0.86 0.00 -7.23 -0.29 -1.94 120.40 111.02 1sx4 s VAL 276 Ca 0.03 -0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 59.84 1sx4 s VAL 276 Cb -0.08 -0.27 0.05 0.00 0.56 0.00 0.00 36.38 36.64 1sx4 s VAL 276 CO 0.01 -0.13 0.72 0.29 -0.31 0.00 0.00 175.10 175.69 1sx4 n LYS 277 N 2.52 -0.07 -2.17 4.82 5.02 -1.26 -3.57 118.16 123.45 1sx4 n LYS 277 Ca -0.16 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.86 1sx4 n LYS 277 Cb 0.58 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.26 3.12 0.33 7.82 0.00 -0.02 -4.78 121.76 125.97 1sx4 s ALA 278 Ca 0.64 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1sx4 s ALA 278 Cb -0.26 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1sx4 s ALA 278 CO 0.60 -0.46 1.18 -1.25 0.00 0.00 0.00 175.76 175.84 1sx4 s PRO 279 N -4.65 4.38 0.25 0.00 0.04 -1.26 -4.88 135.00 128.88 1sx4 s PRO 279 Ca 0.56 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1sx4 s PRO 279 Cb -0.10 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1sx4 s PRO 279 CO 0.43 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.82 1sx4 n GLY 280 N 0.89 -1.91 3.03 0.56 0.00 -1.26 -4.61 105.19 101.89 1sx4 n GLY 280 Ca 0.01 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.13 0.55 0.00 1.61 -0.71 -1.26 -4.72 117.98 111.32 1sx4 s PHE 281 Ca 0.00 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1sx4 s PHE 281 Cb 0.00 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 41.47 1sx4 s PHE 281 CO 0.00 -0.10 0.00 0.41 -1.34 0.00 0.00 175.22 174.19 1sx4 n GLY 282 N 1.64 2.47 0.06 1.99 0.00 -1.26 -3.74 105.19 106.35 1sx4 n GLY 282 Ca -0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.01 0.21 1.61 3.32 -2.02 -3.12 116.42 116.43 1sx4 h ASP 283 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1sx4 h ASP 283 Cb 0.00 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sx4 h ASP 283 CO 0.00 0.42 0.00 -2.11 -1.72 0.00 0.00 179.24 175.83 1sx4 n ARG 284 N -4.88 0.52 -0.03 3.56 1.85 -1.24 -3.22 116.66 113.21 1sx4 n ARG 284 Ca -0.08 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 -0.08 0.00 -1.05 0.00 0.00 32.46 30.05 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 0.14 -0.21 2.89 2.43 -1.65 -2.79 114.38 115.20 1sx4 h ARG 285 Ca 0.00 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1sx4 h ARG 285 Cb 0.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1sx4 h ARG 285 CO 0.00 0.50 -0.36 0.87 -1.51 0.00 0.00 179.97 179.47 1sx4 h LYS 286 N -0.21 0.45 -0.14 0.20 1.57 -1.69 0.28 116.57 117.02 1sx4 h LYS 286 Ca 0.02 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1sx4 h LYS 286 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1sx4 h LYS 286 CO 0.01 0.75 0.07 0.00 -0.57 0.00 0.00 179.45 179.70 1sx4 h ALA 287 N 1.24 0.18 -0.16 3.86 0.00 -1.70 -1.97 119.26 120.71 1sx4 h ALA 287 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1sx4 h ALA 287 Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sx4 h ALA 287 CO 0.06 -0.26 -0.32 0.52 0.00 0.00 0.00 179.25 179.25 1sx4 h MET 288 N 0.11 0.32 -0.37 0.00 2.86 -0.98 -1.72 114.93 115.14 1sx4 h MET 288 Ca 0.05 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1sx4 h MET 288 Cb 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1sx4 h MET 288 CO -0.01 0.61 -0.15 1.25 1.06 0.00 0.00 176.91 179.68 1sx4 h LEU 289 N 0.28 0.77 -1.88 1.22 6.46 -0.53 -3.12 115.31 118.51 1sx4 h LEU 289 Ca 0.04 -0.39 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1sx4 h LEU 289 Cb 0.71 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1sx4 h LEU 289 CO 0.05 0.99 0.24 -0.61 -0.62 0.00 0.00 178.44 178.49 1sx4 h GLN 290 N 0.55 0.14 -0.33 1.25 5.75 -0.68 -1.88 115.11 119.92 1sx4 h GLN 290 Ca 0.09 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1sx4 h GLN 290 Cb 0.68 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1sx4 h GLN 290 CO 0.05 0.10 -0.23 -0.44 -2.65 0.00 0.00 178.83 175.65 1sx4 h ASP 291 N 0.15 0.64 0.62 -0.69 5.19 -1.28 -1.75 116.42 119.30 1sx4 h ASP 291 Ca 0.16 -0.22 -0.22 0.00 -0.62 0.00 0.00 57.03 56.12 1sx4 h ASP 291 Cb 0.43 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1sx4 h ASP 291 CO -0.02 0.86 -1.00 0.40 -3.12 0.00 0.00 179.24 176.36 1sx4 h ILE 292 N 0.56 1.51 0.10 0.35 2.04 -1.40 -1.87 117.51 118.79 1sx4 h ILE 292 Ca 0.08 -2.82 0.01 0.00 1.00 0.00 0.00 64.86 63.13 1sx4 h ILE 292 Cb 0.70 2.64 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 1sx4 h ILE 292 CO 0.05 0.82 -0.42 0.00 0.00 0.00 0.00 178.15 178.60 1sx4 h ALA 293 N 0.84 -0.91 -0.99 1.87 0.00 -1.16 -1.03 119.26 117.88 1sx4 h ALA 293 Ca -0.07 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.98 1sx4 h ALA 293 Cb 1.68 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 20.19 1sx4 h ALA 293 CO 0.16 -1.01 0.63 1.15 0.00 0.00 0.00 179.25 180.18 1sx4 h THR 294 N -0.60 0.61 -0.16 0.00 2.02 -1.12 0.26 112.91 113.93 1sx4 h THR 294 Ca -0.01 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 1sx4 h THR 294 Cb 0.60 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1sx4 h THR 294 CO -0.23 0.09 -0.65 0.25 0.37 0.00 0.00 175.52 175.35 1sx4 h LEU 295 N 0.47 0.68 -2.89 2.58 7.12 -0.79 -3.18 115.31 119.30 1sx4 h LEU 295 Ca 0.55 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1sx4 h LEU 295 Cb 1.27 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1sx4 h LEU 295 CO -0.27 1.15 0.00 0.35 -0.13 0.00 0.00 178.44 179.54 1sx4 n THR 296 N -3.92 1.12 -3.95 1.05 -2.24 -0.44 -2.69 114.28 103.22 1sx4 n THR 296 Ca -0.04 -1.06 -0.30 0.00 -2.27 0.00 0.00 64.05 60.37 1sx4 n THR 296 Cb 0.67 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.78 -0.46 3.94 3.38 0.00 0.79 -1.45 105.19 112.17 1sx4 n GLY 297 Ca 0.16 0.18 -0.19 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 -3.46 1.86 -0.13 -0.02 0.00 -0.43 -4.60 107.32 100.53 1sx4 s GLY 298 Ca 0.58 -1.66 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1sx4 s GLY 298 CO 0.85 -1.53 -0.03 -1.59 0.00 0.00 0.00 173.10 170.80 1sx4 s THR 299 N -2.32 3.99 -0.01 0.90 2.01 0.17 -4.51 115.64 115.87 1sx4 s THR 299 Ca 0.48 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 1sx4 s THR 299 Cb -0.07 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1sx4 s THR 299 CO 0.30 0.52 0.79 -0.69 -0.69 0.00 0.00 174.62 174.85 1sx4 s VAL 300 N 0.01 4.90 -0.93 3.82 1.01 -1.26 -4.52 120.40 123.43 1sx4 s VAL 300 Ca 0.01 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 1sx4 s VAL 300 Cb -0.13 -4.14 0.21 0.00 0.00 0.00 0.00 36.38 32.32 1sx4 s VAL 300 CO 0.02 0.26 0.97 -0.63 0.00 0.00 0.00 175.10 175.72 1sx4 s ILE 301 N 0.58 5.44 -0.31 2.22 1.01 -0.99 -4.96 121.20 124.19 1sx4 s ILE 301 Ca 0.41 -2.46 -0.15 0.00 0.00 0.00 0.00 60.65 58.45 1sx4 s ILE 301 Cb -0.19 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 1sx4 s ILE 301 CO 0.22 -1.21 0.37 -0.94 0.00 0.00 0.00 174.94 173.38 1sx4 s SER 302 N 2.39 6.21 0.64 3.58 1.04 -1.26 -1.39 113.70 124.91 1sx4 s SER 302 Ca 0.26 -0.01 0.30 0.00 0.48 0.00 0.00 55.95 56.98 1sx4 s SER 302 Cb -0.08 -2.20 1.62 0.00 0.10 0.00 0.00 66.02 65.45 1sx4 s SER 302 CO -0.08 -0.28 1.94 -0.33 0.98 0.00 0.00 173.24 175.47 1sx4 h GLU 303 N 8.35 0.00 -0.03 4.02 5.08 -1.74 -1.53 114.58 128.74 1sx4 h GLU 303 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 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 0.67 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.07 1sx4 n GLU 304 N -3.16 0.93 0.00 2.33 1.02 -1.26 -2.30 120.64 118.19 1sx4 n GLU 304 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1sx4 n GLU 304 Cb 0.43 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.48 0.00 -0.17 -3.67 5.41 -0.58 -5.04 119.36 114.83 1sx4 n ILE 305 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1sx4 n ILE 305 Cb 0.01 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.02 1sx4 n ILE 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sx4 n GLY 306 N 0.51 1.61 3.21 7.39 0.00 -0.97 -5.10 105.19 111.84 1sx4 n GLY 306 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1sx4 n GLY 306 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sx4 s MET 307 N -0.99 3.15 0.54 1.61 -1.94 -1.25 -5.06 119.30 115.36 1sx4 s MET 307 Ca 0.00 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.20 1sx4 s MET 307 Cb 0.00 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.17 1sx4 s MET 307 CO 0.00 -0.13 0.81 -1.21 -0.01 0.00 0.00 175.02 174.48 1sx4 s GLU 308 N 1.17 2.87 0.16 2.03 2.02 -1.26 -4.23 118.70 121.45 1sx4 s GLU 308 Ca 0.01 -0.30 0.25 0.00 0.02 0.00 0.00 54.97 54.95 1sx4 s GLU 308 Cb -0.14 -2.40 0.92 0.00 0.10 0.00 0.00 34.13 32.61 1sx4 s GLU 308 CO -0.06 -0.59 1.77 1.28 0.02 0.00 0.00 175.26 177.68 1sx4 n LEU 309 N -2.39 0.55 0.21 1.80 4.77 -1.26 -2.69 117.00 117.99 1sx4 n LEU 309 Ca 0.04 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 1sx4 n LEU 309 Cb 0.58 -0.43 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 1sx4 n LEU 309 CO 0.50 -0.24 0.82 -0.33 -1.33 0.00 0.00 177.39 176.81 1sx4 h GLU 310 N 0.00 0.00 -3.11 3.23 3.07 -1.90 -3.24 114.58 112.62 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 0.57 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.15 1sx4 h GLU 310 CO 0.00 0.27 0.19 1.63 -1.40 0.00 0.00 179.01 179.70 1sx4 n LYS 311 N -3.93 3.30 -3.61 2.33 5.02 -1.09 -4.90 118.16 115.28 1sx4 n LYS 311 Ca -0.02 -4.52 -0.08 0.00 -2.02 0.00 0.00 58.31 51.67 1sx4 n LYS 311 Cb 0.35 -2.45 -0.09 0.00 -0.02 0.00 0.00 35.03 32.82 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 -1.88 -1.21 0.50 7.82 0.00 -1.23 -4.67 121.76 121.09 1sx4 s ALA 312 Ca 0.31 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.83 1sx4 s ALA 312 Cb -0.02 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1sx4 s ALA 312 CO -0.04 -0.84 0.62 0.95 0.00 0.00 0.00 175.76 176.45 1sx4 s THR 313 N 2.62 2.44 0.29 0.00 -4.23 -1.26 -4.34 115.64 111.16 1sx4 s THR 313 Ca 0.00 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1sx4 s THR 313 Cb -0.12 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.49 1sx4 s THR 313 CO -0.14 0.00 1.64 -0.07 -0.54 0.00 0.00 174.62 175.52 1sx4 h LEU 314 N 0.50 -0.02 -0.85 4.79 3.38 -1.95 0.86 115.31 122.02 1sx4 h LEU 314 Ca -0.35 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sx4 h LEU 314 Cb 1.28 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1sx4 h LEU 314 CO 0.46 -0.16 0.60 -0.08 0.09 0.00 0.00 178.44 179.35 1sx4 h GLU 315 N 0.20 0.00 0.06 1.13 4.81 -2.00 0.55 114.58 119.34 1sx4 h GLU 315 Ca 0.54 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.46 1sx4 h GLU 315 Cb 1.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1sx4 h GLU 315 CO -0.66 0.00 -1.75 -0.44 -0.73 0.00 0.00 179.01 175.43 1sx4 h ASP 316 N 0.00 0.20 -3.52 1.04 3.32 -1.19 -3.44 116.42 112.83 1sx4 h ASP 316 Ca 0.00 -0.40 -0.53 0.00 0.02 0.00 0.00 57.03 56.13 1sx4 h ASP 316 Cb 1.20 -0.06 0.06 0.00 0.22 0.00 0.00 39.33 40.75 1sx4 h ASP 316 CO 0.00 1.35 0.72 -0.76 -1.72 0.00 0.00 179.24 178.83 1sx4 s LEU 317 N -6.55 4.40 1.31 1.55 1.02 0.19 0.45 118.68 121.04 1sx4 s LEU 317 Ca -0.11 2.65 -0.22 0.00 0.02 0.00 0.00 54.13 56.47 1sx4 s LEU 317 Cb 0.07 -3.63 0.33 0.00 0.02 0.00 0.00 46.19 42.98 1sx4 s LEU 317 CO 0.81 -0.64 1.05 -0.83 0.02 0.00 0.00 176.35 176.76 1sx4 s GLY 318 N 0.14 1.53 -0.28 -3.19 0.00 0.40 -4.56 107.32 101.37 1sx4 s GLY 318 Ca 0.56 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.09 1sx4 s GLY 318 CO 0.45 -0.05 0.71 1.62 0.00 0.00 0.00 173.10 175.84 1sx4 s GLN 319 N -5.40 0.70 0.04 2.90 0.74 -0.53 -0.06 119.66 118.05 1sx4 s GLN 319 Ca 0.71 1.17 -0.01 0.00 0.05 0.00 0.00 55.36 57.28 1sx4 s GLN 319 Cb -0.09 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 1sx4 s GLN 319 CO 0.56 -0.14 -0.02 0.00 -0.55 0.00 0.00 175.29 175.14 1sx4 s ALA 320 N 1.50 0.37 -0.53 1.58 0.00 -1.18 -1.44 121.76 122.06 1sx4 s ALA 320 Ca -0.09 -1.02 0.24 0.00 0.00 0.00 0.00 51.96 51.10 1sx4 s ALA 320 Cb -0.05 0.24 0.54 0.00 0.00 0.00 0.00 23.12 23.86 1sx4 s ALA 320 CO -0.18 -0.32 1.68 0.87 0.00 0.00 0.00 175.76 177.81 1sx4 h LYS 321 N 3.53 0.00 -2.33 0.00 1.57 -0.03 -3.14 116.57 116.17 1sx4 h LYS 321 Ca -0.33 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1sx4 h LYS 321 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.30 1sx4 h LYS 321 CO 0.59 0.00 0.25 0.50 -0.57 0.00 0.00 179.45 180.22 1sx4 s ARG 322 N -3.18 1.08 -0.13 3.15 3.52 -0.79 -2.14 118.95 120.46 1sx4 s ARG 322 Ca 0.08 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.52 1sx4 s ARG 322 Cb 0.08 0.50 0.03 0.00 -1.56 0.00 0.00 34.95 34.01 1sx4 s ARG 322 CO 0.64 -0.40 0.34 0.14 -0.81 0.00 0.00 175.30 175.21 1sx4 s VAL 323 N -2.22 -0.00 -0.08 7.11 -7.23 -1.08 -0.22 120.40 116.67 1sx4 s VAL 323 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1sx4 s VAL 323 Cb -0.00 -0.48 0.02 0.00 0.56 0.00 0.00 36.38 36.47 1sx4 s VAL 323 CO -0.00 0.00 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.03 1sx4 s VAL 324 N 0.22 0.86 0.09 1.32 1.01 -0.73 -1.42 120.40 121.76 1sx4 s VAL 324 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1sx4 s VAL 324 Cb -0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1sx4 s VAL 324 CO 0.00 0.32 -0.26 0.27 0.00 0.00 0.00 175.10 175.43 1sx4 s ILE 325 N 1.35 2.26 0.43 2.22 -4.36 0.03 -1.59 121.20 121.54 1sx4 s ILE 325 Ca -0.03 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1sx4 s ILE 325 Cb -0.14 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.65 1sx4 s ILE 325 CO -0.03 0.21 0.22 0.59 0.24 0.00 0.00 174.94 176.16 1sx4 n ASN 326 N 1.27 2.66 -0.31 4.36 3.02 0.01 -1.53 115.26 124.74 1sx4 n ASN 326 Ca -0.17 -2.61 0.18 0.00 -0.03 0.00 0.00 54.58 51.94 1sx4 n ASN 326 Cb 0.53 0.08 0.34 0.00 -0.61 0.00 0.00 39.78 40.11 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 -1.36 -0.07 -0.34 3.52 4.81 -1.26 -2.30 118.16 121.16 1sx4 n LYS 327 Ca -0.07 1.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.73 1sx4 n LYS 327 Cb 0.51 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.33 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 -5.30 0.00 -3.85 3.14 5.68 -1.26 -4.17 116.55 110.78 1sx4 n ASP 328 Ca 0.25 -1.42 -0.16 0.00 -0.50 0.00 0.00 54.79 52.96 1sx4 n ASP 328 Cb 0.84 -0.08 -0.16 0.00 -1.14 0.00 0.00 41.12 40.58 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 0.20 -0.19 2.12 2.01 -1.17 -3.22 115.64 115.38 1sx4 s THR 329 Ca 0.00 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1sx4 s THR 329 Cb 0.00 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 1sx4 s THR 329 CO 0.00 0.12 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.12 1sx4 s THR 330 N 0.66 3.56 -0.09 -0.82 2.01 -0.31 -0.81 115.64 119.83 1sx4 s THR 330 Ca -0.07 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1sx4 s THR 330 Cb -0.10 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1sx4 s THR 330 CO -0.01 0.45 -0.11 0.28 -0.69 0.00 0.00 174.62 174.54 1sx4 s THR 331 N 1.00 1.15 -0.28 -0.82 -1.32 -0.62 -0.52 115.64 114.23 1sx4 s THR 331 Ca 0.00 -0.43 -0.08 0.00 -1.21 0.00 0.00 61.69 59.97 1sx4 s THR 331 Cb -0.15 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1sx4 s THR 331 CO 0.01 0.37 0.10 -0.63 -2.21 0.00 0.00 174.62 172.26 1sx4 s ILE 332 N 1.10 4.35 -0.21 5.08 1.01 0.56 -1.77 121.20 131.33 1sx4 s ILE 332 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1sx4 s ILE 332 Cb -0.14 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 1sx4 s ILE 332 CO -0.02 0.21 -0.08 -0.63 0.00 0.00 0.00 174.94 174.42 1sx4 s ILE 333 N 1.60 3.05 -0.27 2.92 1.01 0.69 -2.34 121.20 127.85 1sx4 s ILE 333 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1sx4 s ILE 333 Cb -0.16 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1sx4 s ILE 333 CO 0.04 0.46 0.06 -0.67 0.00 0.00 0.00 174.94 174.83 1sx4 n ASP 334 N 4.68 -6.28 -4.77 3.58 2.03 -0.82 -1.79 116.55 113.18 1sx4 n ASP 334 Ca -0.19 1.40 -0.38 0.00 0.52 0.00 0.00 54.79 56.14 1sx4 n ASP 334 Cb 0.51 -5.22 -0.06 0.00 -0.72 0.00 0.00 41.12 35.62 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 -1.39 2.41 0.52 0.27 0.00 -0.64 -0.58 107.32 107.90 1sx4 s GLY 335 Ca -0.07 -0.23 0.29 0.00 0.00 0.00 0.00 44.72 44.71 1sx4 s GLY 335 CO 0.77 0.47 2.02 -2.08 0.00 0.00 0.00 173.10 174.28 1sx4 h VAL 336 N 4.28 0.42 -1.32 1.40 2.07 -1.36 -3.45 116.25 118.29 1sx4 h VAL 336 Ca -0.45 -0.63 -0.75 0.00 0.82 0.00 0.00 66.70 65.68 1sx4 h VAL 336 Cb 1.19 1.45 0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1sx4 h VAL 336 CO 0.70 0.11 0.37 0.61 0.02 0.00 0.00 177.57 179.38 1sx4 n GLY 337 N -0.40 0.18 3.84 2.17 0.00 -1.09 -4.80 105.19 105.09 1sx4 n GLY 337 Ca -0.01 0.78 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 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 0.88 3.61 0.37 1.61 2.02 -1.26 -4.77 118.70 121.15 1sx4 s GLU 338 Ca 0.91 0.97 0.16 0.00 0.02 0.00 0.00 54.97 57.03 1sx4 s GLU 338 Cb -1.15 -2.08 0.71 0.00 0.10 0.00 0.00 34.13 31.70 1sx4 s GLU 338 CO 0.57 -0.56 1.77 0.93 0.02 0.00 0.00 175.26 177.99 1sx4 h GLU 339 N 0.34 0.00 -0.50 1.61 4.39 -1.95 0.03 114.58 118.49 1sx4 h GLU 339 Ca -0.46 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.34 1sx4 h GLU 339 Cb 1.20 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 1sx4 h GLU 339 CO 0.60 0.40 -0.23 0.00 -1.16 0.00 0.00 179.01 178.62 1sx4 h ALA 340 N 1.60 0.12 -0.01 3.43 0.00 -2.00 -2.06 119.26 120.34 1sx4 h ALA 340 Ca -0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sx4 h ALA 340 Cb 0.81 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sx4 h ALA 340 CO 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 179.25 178.71 1sx4 h ALA 341 N 1.20 0.02 -0.74 0.00 0.00 -1.74 -3.12 119.26 114.88 1sx4 h ALA 341 Ca 0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 341 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1sx4 h ALA 341 CO -0.57 -0.20 0.31 0.82 0.00 0.00 0.00 179.25 179.61 1sx4 h ILE 342 N -0.47 1.24 -0.10 0.00 2.04 -0.96 -0.03 117.51 119.23 1sx4 h ILE 342 Ca 0.00 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1sx4 h ILE 342 Cb 0.54 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1sx4 h ILE 342 CO 0.00 0.31 -0.16 -0.61 0.00 0.00 0.00 178.15 177.69 1sx4 h GLN 343 N 1.07 0.29 -0.97 2.37 5.75 -1.55 -2.86 115.11 119.21 1sx4 h GLN 343 Ca 0.25 -0.17 0.20 0.00 -0.15 0.00 0.00 58.65 58.77 1sx4 h GLN 343 Cb 0.18 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 28.63 1sx4 h GLN 343 CO -0.02 0.75 0.56 0.78 -2.65 0.00 0.00 178.83 178.24 1sx4 h GLY 344 N -0.14 1.72 1.06 2.39 0.00 -1.30 -0.02 103.07 106.79 1sx4 h GLY 344 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1sx4 h GLY 344 CO 0.04 -0.11 -0.16 -0.09 0.00 0.00 0.00 176.54 176.21 1sx4 h ARG 345 N 0.68 0.93 -0.79 4.80 9.65 -1.04 -1.95 114.38 126.65 1sx4 h ARG 345 Ca 0.57 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 1sx4 h ARG 345 Cb 0.93 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.43 1sx4 h ARG 345 CO -0.41 1.04 0.44 0.28 2.80 0.00 0.00 179.97 184.11 1sx4 h VAL 346 N 0.77 1.23 -0.28 0.20 2.07 -0.83 -0.71 116.25 118.70 1sx4 h VAL 346 Ca 0.11 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1sx4 h VAL 346 Cb 0.72 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1sx4 h VAL 346 CO 0.06 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.85 1sx4 h ALA 347 N 1.38 1.40 0.48 1.67 0.00 -0.92 0.45 119.26 123.72 1sx4 h ALA 347 Ca 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sx4 h ALA 347 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sx4 h ALA 347 CO -0.05 0.42 -0.23 1.96 0.00 0.00 0.00 179.25 181.35 1sx4 h GLN 348 N 0.41 -0.62 -0.79 0.00 4.20 -0.65 -3.11 115.11 114.56 1sx4 h GLN 348 Ca 0.09 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1sx4 h GLN 348 Cb 0.36 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1sx4 h GLN 348 CO 0.02 -0.32 0.41 0.82 -0.67 0.00 0.00 178.83 179.08 1sx4 h ILE 349 N -0.98 1.24 -0.60 2.54 2.04 -1.07 -2.49 117.51 118.19 1sx4 h ILE 349 Ca -0.07 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.24 1sx4 h ILE 349 Cb 0.59 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 1sx4 h ILE 349 CO 0.11 0.27 -0.52 -0.09 0.00 0.00 0.00 178.15 177.92 1sx4 h ARG 350 N 1.11 -0.24 -0.66 2.37 9.65 -0.16 -1.86 114.38 124.58 1sx4 h ARG 350 Ca 0.27 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.22 1sx4 h ARG 350 Cb 0.06 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 1sx4 h ARG 350 CO -0.04 -0.16 0.44 1.96 2.80 0.00 0.00 179.97 184.96 1sx4 h GLN 351 N -0.25 0.71 -0.19 0.20 4.20 -1.38 -1.53 115.11 116.87 1sx4 h GLN 351 Ca 0.13 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.85 1sx4 h GLN 351 Cb 0.55 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1sx4 h GLN 351 CO -0.71 0.47 0.14 1.96 -0.67 0.00 0.00 178.83 180.02 1sx4 h GLN 352 N 0.73 0.00 0.00 1.46 4.20 -1.06 -0.39 115.11 120.05 1sx4 h GLN 352 Ca 0.27 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 1sx4 h GLN 352 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1sx4 h GLN 352 CO -0.08 0.00 -0.27 0.82 -0.67 0.00 0.00 178.83 178.62 1sx4 h ILE 353 N 0.00 0.98 -0.18 2.54 2.04 -1.09 -3.05 117.51 118.76 1sx4 h ILE 353 Ca 0.09 -1.02 -0.12 0.00 1.00 0.00 0.00 64.86 64.82 1sx4 h ILE 353 Cb 0.37 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1sx4 h ILE 353 CO -0.00 0.27 -0.34 -0.33 0.00 0.00 0.00 178.15 177.75 1sx4 h GLU 354 N 0.00 0.55 -1.44 2.37 4.39 -1.16 -3.06 114.58 116.24 1sx4 h GLU 354 Ca -0.00 -0.35 -0.19 0.00 0.34 0.00 0.00 59.36 59.16 1sx4 h GLU 354 Cb 0.56 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 1sx4 h GLU 354 CO 0.04 0.96 0.24 0.39 -1.16 0.00 0.00 179.01 179.48 1sx4 n GLU 355 N -4.32 1.47 -3.65 2.33 1.02 -1.13 -4.82 120.64 111.55 1sx4 n GLU 355 Ca -0.06 -0.97 -0.36 0.00 -0.02 0.00 0.00 57.16 55.75 1sx4 n GLU 355 Cb 0.50 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.11 3.66 -0.36 0.62 0.00 -1.16 -4.96 121.76 118.45 1sx4 s ALA 356 Ca 0.19 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1sx4 s ALA 356 Cb 0.15 -2.26 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1sx4 s ALA 356 CO 0.01 0.16 0.33 0.25 0.00 0.00 0.00 175.76 176.51 1sx4 n THR 357 N 3.44 0.00 -4.41 0.00 -2.24 -1.26 -5.02 114.28 104.78 1sx4 n THR 357 Ca -0.14 -0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 1sx4 n THR 357 Cb 0.52 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.80 3.18 0.06 3.42 0.15 -1.26 -5.07 113.70 112.38 1sx4 s SER 358 Ca 0.03 -0.99 -0.12 0.00 0.70 0.00 0.00 55.95 55.57 1sx4 s SER 358 Cb 0.06 -0.23 -0.30 0.00 -1.71 0.00 0.00 66.02 63.84 1sx4 s SER 358 CO 0.33 -0.02 1.09 0.44 1.20 0.00 0.00 173.24 176.27 1sx4 h ASP 359 N 2.57 0.75 -0.07 5.45 3.32 -1.99 -2.96 116.42 123.48 1sx4 h ASP 359 Ca -0.40 -0.75 -0.06 0.00 0.02 0.00 0.00 57.03 55.84 1sx4 h ASP 359 Cb 1.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1sx4 h ASP 359 CO 0.58 1.57 -0.11 0.22 -1.72 0.00 0.00 179.24 179.78 1sx4 h TYR 360 N 0.18 0.40 0.00 4.55 3.20 -2.01 -1.69 116.97 121.60 1sx4 h TYR 360 Ca -0.20 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1sx4 h TYR 360 Cb 2.01 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1sx4 h TYR 360 CO 0.11 0.49 0.00 -0.44 -1.64 0.00 0.00 178.16 176.67 1sx4 h ASP 361 N 0.36 0.00 0.00 -2.11 5.19 -1.99 -3.12 116.42 114.75 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 -1.14 -3.12 0.00 0.00 179.24 175.00 1sx4 n ARG 362 N -3.05 0.00 -0.34 3.56 0.63 -0.68 -3.51 116.66 113.27 1sx4 n ARG 362 Ca 0.01 0.47 0.22 0.00 -0.92 0.00 0.00 57.85 57.63 1sx4 n ARG 362 Cb 0.32 -1.05 0.46 0.00 0.45 0.00 0.00 32.46 32.64 1sx4 n ARG 362 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1sx4 h GLU 363 N 0.00 0.44 0.00 -0.14 9.09 -1.57 0.47 114.58 122.86 1sx4 h GLU 363 Ca 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1sx4 h GLU 363 Cb 0.00 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1sx4 h GLU 363 CO 0.00 0.29 -0.13 0.87 0.05 0.00 0.00 179.01 180.09 1sx4 h LYS 364 N 0.45 0.00 0.03 1.06 1.79 -1.72 0.14 116.57 118.32 1sx4 h LYS 364 Ca 0.65 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.85 1sx4 h LYS 364 Cb 1.48 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 1sx4 h LYS 364 CO -0.43 0.13 -1.44 -0.07 -1.08 0.00 0.00 179.45 176.56 1sx4 h LEU 365 N 0.00 0.10 -0.01 2.94 3.38 -0.13 -3.28 115.31 118.31 1sx4 h LEU 365 Ca -0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1sx4 h LEU 365 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sx4 h LEU 365 CO 0.02 1.13 -0.32 1.56 0.09 0.00 0.00 178.44 180.92 1sx4 h GLN 366 N 0.02 0.00 0.00 1.13 4.20 -0.97 -0.66 115.11 118.83 1sx4 h GLN 366 Ca -0.19 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1sx4 h GLN 366 Cb 1.93 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.71 1sx4 h GLN 366 CO 0.12 0.32 -0.23 0.93 -0.67 0.00 0.00 178.83 179.29 1sx4 h GLU 367 N 0.00 0.00 0.12 1.46 5.08 -0.88 -2.11 114.58 118.25 1sx4 h GLU 367 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1sx4 h GLU 367 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1sx4 h GLU 367 CO 0.04 0.23 -0.94 0.00 -1.00 0.00 0.00 179.01 177.34 1sx4 h ARG 368 N 0.00 0.25 -0.32 2.33 3.08 -1.55 -2.52 114.38 115.64 1sx4 h ARG 368 Ca -0.00 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1sx4 h ARG 368 Cb 0.80 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1sx4 h ARG 368 CO 0.03 1.21 0.20 -0.39 -1.07 0.00 0.00 179.97 179.94 1sx4 h VAL 369 N -0.42 1.09 0.18 2.04 -1.51 -1.16 -2.78 116.25 113.68 1sx4 h VAL 369 Ca -0.19 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 1sx4 h VAL 369 Cb 1.62 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1sx4 h VAL 369 CO 0.10 0.09 -0.08 0.00 -1.23 0.00 0.00 177.57 176.45 1sx4 h ALA 370 N 1.78 -0.75 -0.95 5.19 0.00 -1.44 -1.82 119.26 121.26 1sx4 h ALA 370 Ca 0.12 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.27 1sx4 h ALA 370 Cb -0.02 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.69 1sx4 h ALA 370 CO -0.02 -0.73 0.23 0.87 0.00 0.00 0.00 179.25 179.59 1sx4 h LYS 371 N -0.32 0.09 0.00 0.00 1.57 -1.42 0.17 116.57 116.66 1sx4 h LYS 371 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1sx4 h LYS 371 Cb 0.18 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sx4 h LYS 371 CO 0.04 0.06 -0.07 1.25 -0.57 0.00 0.00 179.45 180.15 1sx4 h LEU 372 N 0.09 0.00 0.00 2.94 5.85 -1.50 -3.27 115.31 119.42 1sx4 h LEU 372 Ca 0.64 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1sx4 h LEU 372 Cb 1.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1sx4 h LEU 372 CO -0.79 0.88 -0.19 0.00 -0.34 0.00 0.00 178.44 178.00 1sx4 h ALA 373 N -0.33 0.88 -0.29 1.25 0.00 -1.26 -3.38 119.26 116.12 1sx4 h ALA 373 Ca -0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1sx4 h ALA 373 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sx4 h ALA 373 CO -0.01 0.24 -0.49 0.78 0.00 0.00 0.00 179.25 179.77 1sx4 h GLY 374 N 3.81 0.87 0.00 0.00 0.00 -0.78 -3.50 103.07 103.48 1sx4 h GLY 374 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1sx4 h GLY 374 CO 0.02 0.87 0.00 0.61 0.00 0.00 0.00 176.54 178.04 1sx4 n GLY 375 N 0.23 -1.07 3.02 4.60 0.00 -1.23 -4.94 105.19 105.80 1sx4 n GLY 375 Ca -0.03 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.57 1.32 -0.30 1.61 1.01 -0.54 -4.12 120.40 117.79 1sx4 s VAL 376 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1sx4 s VAL 376 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1sx4 s VAL 376 CO 0.00 0.40 0.38 0.00 0.00 0.00 0.00 175.10 175.88 1sx4 s ALA 377 N 1.01 3.53 -0.11 5.51 0.00 0.06 -1.79 121.76 129.97 1sx4 s ALA 377 Ca -0.07 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 1sx4 s ALA 377 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1sx4 s ALA 377 CO -0.01 -0.85 0.07 0.14 0.00 0.00 0.00 175.76 175.11 1sx4 s VAL 378 N 2.08 4.90 -0.13 0.00 -7.23 0.86 -1.26 120.40 119.62 1sx4 s VAL 378 Ca 0.14 -0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1sx4 s VAL 378 Cb -0.16 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 1sx4 s VAL 378 CO 0.11 0.59 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.80 1sx4 s ILE 379 N -0.78 3.66 -0.22 -0.62 1.01 0.44 -1.75 121.20 122.95 1sx4 s ILE 379 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1sx4 s ILE 379 Cb -0.12 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1sx4 s ILE 379 CO 0.03 0.52 0.03 -0.54 0.00 0.00 0.00 174.94 174.97 1sx4 s LYS 380 N 0.12 3.61 -0.36 2.79 1.02 -0.04 -1.02 119.74 125.86 1sx4 s LYS 380 Ca -0.03 -0.51 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 1sx4 s LYS 380 Cb -0.14 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1sx4 s LYS 380 CO 0.03 -0.10 0.75 0.08 -0.92 0.00 0.00 175.35 175.19 1sx4 s VAL 381 N 1.33 4.77 0.25 3.17 1.01 -1.00 -2.29 120.40 127.63 1sx4 s VAL 381 Ca 0.04 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1sx4 s VAL 381 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1sx4 s VAL 381 CO 0.02 -0.41 0.45 -0.83 0.00 0.00 0.00 175.10 174.33 1sx4 s GLY 382 N 1.83 1.66 0.15 4.51 0.00 -1.25 -1.40 107.32 112.82 1sx4 s GLY 382 Ca 0.30 -0.83 -0.23 0.00 0.00 0.00 0.00 44.72 43.95 1sx4 s GLY 382 CO 0.16 -0.77 1.08 0.00 0.00 0.00 0.00 173.10 173.57 1sx4 s ALA 383 N -2.01 -1.74 -0.10 3.20 0.00 -1.22 -4.70 121.76 115.19 1sx4 s ALA 383 Ca 0.39 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1sx4 s ALA 383 Cb -0.10 0.76 -0.13 0.00 0.00 0.00 0.00 23.12 23.65 1sx4 s ALA 383 CO 0.31 -1.07 0.49 0.00 0.00 0.00 0.00 175.76 175.48 1sx4 h ALA 384 N 2.00 -0.08 -2.49 0.00 0.00 -1.88 -3.38 119.26 113.44 1sx4 h ALA 384 Ca -0.27 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1sx4 h ALA 384 Cb 1.21 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1sx4 h ALA 384 CO 0.34 -0.09 -0.67 -0.08 0.00 0.00 0.00 179.25 178.75 1sx4 s THR 385 N -2.29 3.37 0.26 0.00 -1.32 -1.26 -5.03 115.64 109.37 1sx4 s THR 385 Ca -0.10 -1.81 -0.01 0.00 -1.21 0.00 0.00 61.69 58.56 1sx4 s THR 385 Cb -0.01 -2.75 0.24 0.00 -1.51 0.00 0.00 72.50 68.47 1sx4 s THR 385 CO 0.35 -0.28 1.73 -0.08 -2.21 0.00 0.00 174.62 174.13 1sx4 h GLU 386 N 2.27 0.48 0.46 7.08 4.81 -1.99 -0.13 114.58 127.55 1sx4 h GLU 386 Ca -0.45 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1sx4 h GLU 386 Cb 1.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1sx4 h GLU 386 CO 0.58 0.32 -0.22 0.28 -0.73 0.00 0.00 179.01 179.24 1sx4 h VAL 387 N 0.49 0.51 -0.69 0.32 2.07 -1.97 -1.81 116.25 115.18 1sx4 h VAL 387 Ca 0.46 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1sx4 h VAL 387 Cb 0.72 0.65 -0.13 0.00 -1.52 0.00 0.00 31.29 31.02 1sx4 h VAL 387 CO -0.42 0.05 -0.25 -0.08 0.02 0.00 0.00 177.57 176.90 1sx4 h GLU 388 N -0.81 -0.06 0.73 1.57 4.81 -1.93 -0.35 114.58 118.55 1sx4 h GLU 388 Ca -0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1sx4 h GLU 388 Cb 0.56 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1sx4 h GLU 388 CO 0.10 -0.04 -0.45 1.98 -0.73 0.00 0.00 179.01 179.87 1sx4 h MET 389 N -0.06 -1.07 0.00 1.92 4.05 -0.65 0.85 114.93 119.96 1sx4 h MET 389 Ca 0.31 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 1sx4 h MET 389 Cb 0.54 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1sx4 h MET 389 CO -0.73 -0.71 0.00 1.63 0.23 0.00 0.00 176.91 177.32 1sx4 n LYS 390 N -5.30 0.74 -0.09 0.39 5.02 -0.71 0.64 118.16 118.84 1sx4 n LYS 390 Ca -0.14 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 55.99 1sx4 n LYS 390 Cb 0.46 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.07 1.97 4.22 0.01 -3.30 114.58 117.41 1sx4 h GLU 391 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1sx4 h GLU 391 Cb 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1sx4 h GLU 391 CO 0.00 0.85 -0.26 -0.22 -2.18 0.00 0.00 179.01 177.19 1sx4 h LYS 392 N -1.00 -0.35 -1.23 1.92 3.64 0.14 0.64 116.57 120.34 1sx4 h LYS 392 Ca -0.20 0.02 0.38 0.00 -1.27 0.00 0.00 60.65 59.59 1sx4 h LYS 392 Cb 1.07 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.85 1sx4 h LYS 392 CO -0.12 -0.23 0.79 -0.22 -2.27 0.00 0.00 179.45 177.39 1sx4 h LYS 393 N -0.36 0.17 -0.23 1.90 3.64 -0.01 -0.37 116.57 121.31 1sx4 h LYS 393 Ca 0.08 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1sx4 h LYS 393 Cb 0.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sx4 h LYS 393 CO -0.28 0.11 -0.41 0.00 -2.27 0.00 0.00 179.45 176.60 1sx4 h ALA 394 N 1.62 0.35 0.00 5.00 0.00 -0.97 -2.71 119.26 122.55 1sx4 h ALA 394 Ca 0.75 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1sx4 h ALA 394 Cb 2.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1sx4 h ALA 394 CO -0.39 0.47 -0.45 0.00 0.00 0.00 0.00 179.25 178.88 1sx4 h ARG 395 N 0.39 0.00 -0.07 0.00 3.08 -0.47 -1.66 114.38 115.65 1sx4 h ARG 395 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1sx4 h ARG 395 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1sx4 h ARG 395 CO 0.09 0.45 0.00 0.28 -1.07 0.00 0.00 179.97 179.72 1sx4 h VAL 396 N 0.00 1.25 -0.78 2.04 2.07 -1.23 0.12 116.25 119.72 1sx4 h VAL 396 Ca -0.00 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1sx4 h VAL 396 Cb 0.98 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1sx4 h VAL 396 CO 0.06 0.21 0.51 -0.33 0.02 0.00 0.00 177.57 178.04 1sx4 h GLU 397 N -0.15 0.88 -0.12 1.57 5.08 -1.32 -0.61 114.58 119.91 1sx4 h GLU 397 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sx4 h GLU 397 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sx4 h GLU 397 CO 0.00 0.58 0.08 -0.44 -1.00 0.00 0.00 179.01 178.24 1sx4 h ASP 398 N 0.91 0.14 0.24 1.42 3.32 -0.58 -2.43 116.42 119.44 1sx4 h ASP 398 Ca 0.32 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1sx4 h ASP 398 Cb 0.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1sx4 h ASP 398 CO -0.10 0.11 -0.11 0.00 -1.72 0.00 0.00 179.24 177.42 1sx4 h ALA 399 N 1.04 -0.32 -0.98 3.45 0.00 -0.42 -1.19 119.26 120.84 1sx4 h ALA 399 Ca 0.04 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.06 1sx4 h ALA 399 Cb -0.01 0.12 -0.18 0.00 0.00 0.00 0.00 17.79 17.72 1sx4 h ALA 399 CO -0.01 -0.55 0.02 -0.11 0.00 0.00 0.00 179.25 178.60 1sx4 n LEU 400 N -5.11 -0.12 0.15 0.00 7.94 -0.27 -0.17 117.00 119.42 1sx4 n LEU 400 Ca -0.09 1.67 -0.14 0.00 -1.11 0.00 0.00 56.01 56.34 1sx4 n LEU 400 Cb 0.23 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.49 1sx4 n LEU 400 CO 0.32 -1.69 0.71 0.45 -1.11 0.00 0.00 177.39 176.07 1sx4 h HIS 401 N 0.00 -0.32 0.00 1.96 3.86 -0.88 -0.62 115.15 119.16 1sx4 h HIS 401 Ca 0.59 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.77 1sx4 h HIS 401 Cb 1.22 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.79 1sx4 h HIS 401 CO -0.50 -0.10 -0.12 0.00 0.86 0.00 0.00 177.93 178.06 1sx4 h ALA 402 N 0.24 1.31 0.18 2.45 0.00 0.60 -2.50 119.26 121.54 1sx4 h ALA 402 Ca -0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1sx4 h ALA 402 Cb 0.35 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sx4 h ALA 402 CO 0.06 0.15 -1.12 1.15 0.00 0.00 0.00 179.25 179.49 1sx4 h THR 403 N 0.00 1.37 -0.80 0.00 2.02 -0.25 0.18 112.91 115.43 1sx4 h THR 403 Ca -0.00 -2.57 0.02 0.00 0.77 0.00 0.00 66.41 64.63 1sx4 h THR 403 Cb 0.33 3.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.79 1sx4 h THR 403 CO 0.02 0.75 0.53 0.03 0.37 0.00 0.00 175.52 177.21 1sx4 h ARG 404 N -0.18 1.00 -0.20 6.66 3.08 -1.05 -0.14 114.38 123.55 1sx4 h ARG 404 Ca -0.20 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1sx4 h ARG 404 Cb 1.84 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.66 1sx4 h ARG 404 CO 0.18 0.66 -0.26 0.00 -1.07 0.00 0.00 179.97 179.49 1sx4 h ALA 405 N 1.52 0.30 -0.74 0.04 0.00 -1.34 -3.00 119.26 116.04 1sx4 h ALA 405 Ca 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 405 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1sx4 h ALA 405 CO -0.08 0.28 0.43 0.00 0.00 0.00 0.00 179.25 179.88 1sx4 h ALA 406 N 0.63 0.94 0.17 0.00 0.00 0.38 -2.55 119.26 118.83 1sx4 h ALA 406 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sx4 h ALA 406 Cb 0.82 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1sx4 h ALA 406 CO 0.06 0.43 -0.43 0.28 0.00 0.00 0.00 179.25 179.59 1sx4 h VAL 407 N 1.01 0.14 -0.29 0.00 2.07 -1.06 0.62 116.25 118.74 1sx4 h VAL 407 Ca 0.26 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1sx4 h VAL 407 Cb -0.01 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 1sx4 h VAL 407 CO -0.05 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.09 1sx4 h GLU 408 N -0.70 -0.07 0.00 1.57 5.08 -1.32 -3.34 114.58 115.81 1sx4 h GLU 408 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sx4 h GLU 408 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1sx4 h GLU 408 CO -0.22 -0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.13 1sx4 n GLU 409 N -5.30 0.64 0.00 2.33 1.02 -1.09 -5.06 120.64 113.18 1sx4 n GLU 409 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 1sx4 n GLU 409 Cb 0.22 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.12 -2.64 3.54 0.62 0.00 0.22 -4.45 105.19 102.35 1sx4 n GLY 410 Ca 0.00 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.78 2.90 0.35 1.61 -7.23 -0.38 0.11 120.40 116.98 1sx4 s VAL 411 Ca 0.00 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.04 1sx4 s VAL 411 Cb 0.00 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1sx4 s VAL 411 CO 0.00 -0.35 0.42 1.33 -0.31 0.00 0.00 175.10 176.19 1sx4 n VAL 412 N -0.63 0.00 -1.89 1.32 0.24 0.55 -1.77 118.33 116.15 1sx4 n VAL 412 Ca -0.06 -2.05 -0.42 0.00 -2.04 0.00 0.00 64.34 59.77 1sx4 n VAL 412 Cb 0.59 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 1sx4 n VAL 412 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sx4 s ALA 413 N -3.01 3.67 -2.01 2.33 0.00 -1.26 -1.65 121.76 119.83 1sx4 s ALA 413 Ca 0.33 1.20 0.13 0.00 0.00 0.00 0.00 51.96 53.63 1sx4 s ALA 413 Cb 0.00 -3.73 0.76 0.00 0.00 0.00 0.00 23.12 20.15 1sx4 s ALA 413 CO 0.24 -1.21 1.49 0.41 0.00 0.00 0.00 175.76 176.69 1sx4 n GLY 414 N 4.10 -0.94 1.63 0.00 0.00 0.62 -2.40 105.19 108.19 1sx4 n GLY 414 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1sx4 n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sx4 n GLY 415 N 0.72 2.68 1.83 -0.02 0.00 -1.26 -4.69 105.19 104.44 1sx4 n GLY 415 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.56 2.23 0.10 -0.02 0.00 -1.26 -4.17 105.19 102.63 1sx4 n GLY 416 Ca 0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 -0.18 1.61 0.31 -1.26 0.17 118.33 118.84 1sx4 n VAL 417 Ca 0.00 0.59 -0.03 0.00 -0.01 0.00 0.00 64.34 64.88 1sx4 n VAL 417 Cb 0.00 -0.76 0.03 0.00 -0.91 0.00 0.00 33.84 32.21 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 0.27 0.20 -0.62 3.52 0.00 -1.83 -0.05 119.26 120.76 1sx4 h ALA 418 Ca 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1sx4 h ALA 418 Cb 0.13 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sx4 h ALA 418 CO -0.24 -0.53 0.21 -0.07 0.00 0.00 0.00 179.25 178.62 1sx4 h LEU 419 N -0.08 0.88 -1.09 0.00 -0.00 0.15 0.13 115.31 115.31 1sx4 h LEU 419 Ca 0.25 -0.20 0.11 0.00 -0.00 0.00 0.00 57.88 58.05 1sx4 h LEU 419 Cb 0.48 -0.23 -0.08 0.00 -0.00 0.00 0.00 40.66 40.83 1sx4 h LEU 419 CO -0.60 0.84 0.61 0.40 -0.00 0.00 0.00 178.44 179.69 1sx4 h ILE 420 N 0.88 0.93 0.25 1.22 1.08 -0.87 -2.36 117.51 118.65 1sx4 h ILE 420 Ca 0.20 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1sx4 h ILE 420 Cb 0.26 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1sx4 h ILE 420 CO -0.01 0.17 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.41 1sx4 h ARG 421 N 0.95 -0.33 -0.39 2.37 9.65 0.74 -2.74 114.38 124.63 1sx4 h ARG 421 Ca 0.47 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1sx4 h ARG 421 Cb 0.48 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1sx4 h ARG 421 CO -0.23 0.03 0.24 -0.39 2.80 0.00 0.00 179.97 182.42 1sx4 h VAL 422 N -0.78 1.11 -0.30 0.20 -1.51 -0.82 0.12 116.25 114.28 1sx4 h VAL 422 Ca -0.03 -0.23 -0.17 0.00 -1.23 0.00 0.00 66.70 65.03 1sx4 h VAL 422 Cb 0.50 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1sx4 h VAL 422 CO 0.06 0.11 -0.48 0.00 -1.23 0.00 0.00 177.57 176.03 1sx4 h ALA 423 N 1.73 0.46 0.00 5.19 0.00 -1.42 -2.70 119.26 122.52 1sx4 h ALA 423 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sx4 h ALA 423 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1sx4 h ALA 423 CO -0.03 0.63 0.00 0.66 0.00 0.00 0.00 179.25 180.51 1sx4 h SER 424 N 0.63 0.00 0.14 0.00 4.64 -0.48 -2.93 113.55 115.54 1sx4 h SER 424 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1sx4 h SER 424 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1sx4 h SER 424 CO 0.11 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 176.11 1sx4 h LYS 425 N 0.00 -0.18 -2.14 4.77 1.57 -0.98 -3.35 116.57 116.25 1sx4 h LYS 425 Ca 0.00 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.20 1sx4 h LYS 425 Cb 0.37 0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.54 1sx4 h LYS 425 CO 0.00 0.28 0.91 1.47 -0.57 0.00 0.00 179.45 181.54 1sx4 n LEU 426 N -4.90 6.94 -1.19 2.94 -0.00 -1.05 -4.45 117.00 115.29 1sx4 n LEU 426 Ca -0.08 -4.36 0.09 0.00 -0.00 0.00 0.00 56.01 51.66 1sx4 n LEU 426 Cb 0.27 -1.24 0.27 0.00 -0.00 0.00 0.00 43.42 42.72 1sx4 n LEU 426 CO 0.26 1.82 0.73 0.00 -0.00 0.00 0.00 177.39 180.19 1sx4 n ALA 427 N 0.90 2.63 0.24 1.47 0.00 -1.23 -3.33 120.51 121.19 1sx4 n ALA 427 Ca 0.52 -1.13 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1sx4 n ALA 427 Cb 0.45 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 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 1.10 0.27 -4.55 0.00 9.92 -1.26 -5.05 116.55 116.98 1sx4 n ASP 428 Ca 0.20 -0.23 -0.50 0.00 -0.53 0.00 0.00 54.79 53.74 1sx4 n ASP 428 Cb 0.59 1.69 -0.04 0.00 -0.64 0.00 0.00 41.12 42.72 1sx4 n ASP 428 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sx4 n LEU 429 N -2.09 1.04 -4.50 0.64 7.94 -1.21 -4.97 117.00 113.85 1sx4 n LEU 429 Ca -0.02 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.79 1sx4 n LEU 429 Cb 0.51 -1.15 -0.11 0.00 0.53 0.00 0.00 43.42 43.20 1sx4 n LEU 429 CO 0.45 -1.56 -0.27 -0.13 -1.11 0.00 0.00 177.39 174.76 1sx4 s ARG 430 N -0.43 1.74 0.00 1.96 1.81 -1.26 -4.98 118.95 117.79 1sx4 s ARG 430 Ca 0.74 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 52.78 1sx4 s ARG 430 Cb -0.91 -1.07 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1sx4 s ARG 430 CO 0.53 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.41 1sx4 n GLY 431 N -0.76 5.16 0.53 -3.53 0.00 -1.26 -5.01 105.19 100.33 1sx4 n GLY 431 Ca -0.03 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 1sx4 n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sx4 n GLN 432 N 0.00 0.30 -1.85 1.61 3.00 -1.26 -4.90 117.38 114.28 1sx4 n GLN 432 Ca 0.00 0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.70 1sx4 n GLN 432 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 30.24 29.22 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 -6.13 6.42 0.25 1.08 3.04 -1.26 -4.81 114.94 113.53 1sx4 s ASN 433 Ca -0.18 2.97 0.18 0.00 0.04 0.00 0.00 52.86 55.87 1sx4 s ASN 433 Cb 0.05 -2.66 0.93 0.00 -1.54 0.00 0.00 41.25 38.03 1sx4 s ASN 433 CO 0.25 -0.83 1.55 -1.84 -3.04 0.00 0.00 177.10 173.19 1sx4 n GLU 434 N 0.88 0.12 -0.01 0.43 0.28 -1.26 -0.36 120.64 120.72 1sx4 n GLU 434 Ca 0.02 0.57 -0.04 0.00 -0.16 0.00 0.00 57.16 57.55 1sx4 n GLU 434 Cb 0.39 -1.85 0.19 0.00 1.43 0.00 0.00 31.44 31.60 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 0.54 0.83 -1.84 3.32 -1.95 -3.04 116.42 114.28 1sx4 h ASP 435 Ca 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 1sx4 h ASP 435 Cb 0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1sx4 h ASP 435 CO 0.00 0.76 -0.43 1.56 -1.72 0.00 0.00 179.24 179.41 1sx4 h GLN 436 N 0.49 0.00 0.13 3.56 4.20 -0.89 -2.08 115.11 120.52 1sx4 h GLN 436 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1sx4 h GLN 436 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1sx4 h GLN 436 CO 0.05 0.43 -0.06 -0.91 -0.67 0.00 0.00 178.83 177.67 1sx4 h ASN 437 N 0.00 -0.15 -0.58 1.46 2.35 -1.46 0.39 115.58 117.59 1sx4 h ASN 437 Ca -0.00 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1sx4 h ASN 437 Cb 0.97 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.33 1sx4 h ASN 437 CO 0.06 -0.01 0.33 0.58 -1.65 0.00 0.00 177.43 176.74 1sx4 h VAL 438 N -0.28 0.99 -0.27 2.81 2.07 -1.38 0.45 116.25 120.64 1sx4 h VAL 438 Ca -0.02 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1sx4 h VAL 438 Cb 0.22 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 438 CO 0.03 0.11 -0.40 1.23 0.02 0.00 0.00 177.57 178.56 1sx4 h GLY 439 N 0.63 -0.57 0.83 2.17 0.00 -0.91 0.31 103.07 105.53 1sx4 h GLY 439 Ca 0.25 0.51 0.02 0.00 0.00 0.00 0.00 47.33 48.11 1sx4 h GLY 439 CO -0.15 -0.20 0.11 -2.22 0.00 0.00 0.00 176.54 174.08 1sx4 h ILE 440 N -0.39 0.96 0.83 2.60 2.04 0.28 -2.00 117.51 121.83 1sx4 h ILE 440 Ca 0.11 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1sx4 h ILE 440 Cb 0.59 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1sx4 h ILE 440 CO -0.48 0.04 -0.40 0.11 0.00 0.00 0.00 178.15 177.42 1sx4 h LYS 441 N 0.24 -1.08 -0.33 2.37 1.57 0.88 0.12 116.57 120.35 1sx4 h LYS 441 Ca 0.11 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1sx4 h LYS 441 Cb 0.06 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1sx4 h LYS 441 CO -0.10 -0.72 -0.15 0.28 -0.57 0.00 0.00 179.45 178.20 1sx4 n VAL 442 N -5.20 -0.19 -0.11 0.50 0.31 0.99 -0.69 118.33 113.93 1sx4 n VAL 442 Ca -0.14 0.77 -0.13 0.00 -0.01 0.00 0.00 64.34 64.84 1sx4 n VAL 442 Cb 0.44 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.36 0.50 0.34 3.52 0.00 -0.38 -1.92 119.26 121.68 1sx4 h ALA 443 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sx4 h ALA 443 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sx4 h ALA 443 CO -0.32 0.49 -0.31 -0.07 0.00 0.00 0.00 179.25 179.04 1sx4 h LEU 444 N 0.57 -0.83 -1.63 0.00 3.38 0.15 -2.65 115.31 114.28 1sx4 h LEU 444 Ca 0.07 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sx4 h LEU 444 Cb 0.81 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1sx4 h LEU 444 CO 0.07 -0.45 -0.14 -0.09 0.09 0.00 0.00 178.44 177.91 1sx4 h ARG 445 N -0.67 0.05 -0.12 1.13 2.43 -1.06 0.27 114.38 116.41 1sx4 h ARG 445 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1sx4 h ARG 445 Cb 0.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1sx4 h ARG 445 CO -0.04 0.20 0.03 0.00 -1.51 0.00 0.00 179.97 178.65 1sx4 h ALA 446 N 1.81 1.85 0.00 2.80 0.00 -1.01 -1.93 119.26 122.77 1sx4 h ALA 446 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sx4 h ALA 446 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sx4 h ALA 446 CO 0.02 0.13 0.00 0.52 0.00 0.00 0.00 179.25 179.92 1sx4 h MET 447 N 0.16 0.00 -0.00 0.00 2.86 -0.64 -2.00 114.93 115.31 1sx4 h MET 447 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1sx4 h MET 447 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1sx4 h MET 447 CO -0.00 0.00 -0.08 0.39 1.06 0.00 0.00 176.91 178.28 1sx4 n GLU 448 N -2.32 0.14 0.07 1.72 1.02 -0.73 -3.92 120.64 116.63 1sx4 n GLU 448 Ca 0.02 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1sx4 n GLU 448 Cb 0.26 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 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 3.14 -0.84 0.14 0.62 0.00 -1.47 0.27 119.26 121.12 1sx4 h ALA 449 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sx4 h ALA 449 Cb 0.45 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sx4 h ALA 449 CO 0.00 -1.05 -0.07 -1.35 0.00 0.00 0.00 179.25 176.78 1sx4 h PRO 450 N -0.66 -0.18 -0.30 0.00 0.11 -1.80 0.17 132.00 129.35 1sx4 h PRO 450 Ca 0.02 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.21 1sx4 h PRO 450 Cb 0.71 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.80 1sx4 h PRO 450 CO -0.32 -0.05 -0.08 1.25 -0.21 0.00 0.00 178.00 178.59 1sx4 h LEU 451 N -0.27 -0.29 -1.11 2.35 5.85 -1.70 0.30 115.31 120.44 1sx4 h LEU 451 Ca -0.02 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.93 1sx4 h LEU 451 Cb 0.21 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1sx4 h LEU 451 CO 0.03 -0.10 0.61 0.03 -0.34 0.00 0.00 178.44 178.67 1sx4 h ARG 452 N -0.00 0.82 -0.11 1.25 3.08 0.78 -1.46 114.38 118.73 1sx4 h ARG 452 Ca 0.14 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1sx4 h ARG 452 Cb 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1sx4 h ARG 452 CO -0.31 0.54 -0.00 0.37 -1.07 0.00 0.00 179.97 179.50 1sx4 h GLN 453 N 0.84 0.20 -0.12 0.04 5.75 0.20 -1.90 115.11 120.13 1sx4 h GLN 453 Ca 0.50 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.97 1sx4 h GLN 453 Cb 0.65 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1sx4 h GLN 453 CO -0.26 0.45 -0.13 0.82 -2.65 0.00 0.00 178.83 177.06 1sx4 h ILE 454 N -0.08 0.65 -0.76 2.39 1.08 0.56 -0.66 117.51 120.69 1sx4 h ILE 454 Ca 0.03 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.65 1sx4 h ILE 454 Cb 0.36 0.65 -0.10 0.00 -3.07 0.00 0.00 36.82 34.66 1sx4 h ILE 454 CO 0.01 0.00 0.29 0.58 -0.69 0.00 0.00 178.15 178.34 1sx4 h VAL 455 N -0.16 0.64 -0.08 1.67 2.07 -1.35 -1.69 116.25 117.35 1sx4 h VAL 455 Ca 0.09 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1sx4 h VAL 455 Cb 0.28 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1sx4 h VAL 455 CO -0.21 0.08 -0.01 0.25 0.02 0.00 0.00 177.57 177.69 1sx4 h LEU 456 N 0.42 0.15 -0.87 2.57 5.85 -0.45 -2.26 115.31 120.73 1sx4 h LEU 456 Ca 0.42 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1sx4 h LEU 456 Cb 0.65 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.54 1sx4 h LEU 456 CO -0.42 0.46 0.42 0.78 -0.34 0.00 0.00 178.44 179.34 1sx4 h ASN 457 N -0.15 0.46 0.33 1.25 4.21 -0.86 0.56 115.58 121.37 1sx4 h ASN 457 Ca 0.02 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1sx4 h ASN 457 Cb 0.39 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1sx4 h ASN 457 CO 0.01 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.29 1sx4 n GLY 459 N -0.71 0.79 3.27 0.00 0.00 0.20 -5.03 105.19 103.71 1sx4 n GLY 459 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1sx4 n GLY 459 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sx4 n GLU 460 N -2.23 -0.92 -3.45 1.61 -0.58 -0.90 -5.01 120.64 109.17 1sx4 n GLU 460 Ca 0.00 -1.84 -0.38 0.00 -0.42 0.00 0.00 57.16 54.52 1sx4 n GLU 460 Cb 0.00 -1.06 -0.09 0.00 -0.57 0.00 0.00 31.44 29.72 1sx4 n GLU 460 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1sx4 s GLU 461 N -5.33 4.07 0.00 3.49 0.41 -1.26 -4.02 118.70 116.05 1sx4 s GLU 461 Ca 0.63 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 1sx4 s GLU 461 Cb -0.02 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 1sx4 s GLU 461 CO 0.44 -0.14 0.21 -2.30 -0.49 0.00 0.00 175.26 172.97 1sx4 n PRO 462 N 4.88 0.00 -0.14 0.39 -0.02 -1.26 -2.61 135.00 136.23 1sx4 n PRO 462 Ca -0.10 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 1sx4 n PRO 462 Cb 0.51 -1.09 0.04 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.94 -0.19 0.07 2.55 3.41 -1.26 -0.52 113.62 115.73 1sx4 n SER 463 Ca 0.00 0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 59.16 1sx4 n SER 463 Cb 0.00 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1sx4 n SER 463 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sx4 h VAL 464 N 0.00 1.01 -0.41 -3.33 2.07 -2.00 0.57 116.25 114.17 1sx4 h VAL 464 Ca 0.16 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1sx4 h VAL 464 Cb 0.26 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1sx4 h VAL 464 CO -0.40 0.10 0.02 0.58 0.02 0.00 0.00 177.57 177.89 1sx4 h VAL 465 N -0.30 1.21 0.24 2.57 2.07 -0.55 -2.23 116.25 119.26 1sx4 h VAL 465 Ca -0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1sx4 h VAL 465 Cb 0.25 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1sx4 h VAL 465 CO 0.02 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 177.79 1sx4 h ALA 466 N 1.41 -0.33 -0.52 1.67 0.00 -0.68 -0.97 119.26 119.84 1sx4 h ALA 466 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1sx4 h ALA 466 Cb 0.35 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1sx4 h ALA 466 CO 0.01 -0.54 0.09 -0.97 0.00 0.00 0.00 179.25 177.84 1sx4 h ASN 467 N -0.62 -0.03 0.07 0.00 -1.24 -0.79 -1.02 115.58 111.95 1sx4 h ASN 467 Ca -0.03 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 56.97 1sx4 h ASN 467 Cb 0.44 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1sx4 h ASN 467 CO 0.05 0.01 -0.33 0.71 -1.29 0.00 0.00 177.43 176.58 1sx4 h THR 468 N 0.22 1.28 -1.00 -3.57 1.35 -1.29 -1.66 112.91 108.25 1sx4 h THR 468 Ca 0.26 -1.38 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 1sx4 h THR 468 Cb 0.37 1.51 -0.06 0.00 -1.73 0.00 0.00 68.15 68.24 1sx4 h THR 468 CO -0.35 0.43 0.66 0.58 -0.25 0.00 0.00 175.52 176.58 1sx4 h VAL 469 N 0.33 1.20 0.00 6.82 2.07 -0.22 -1.33 116.25 125.12 1sx4 h VAL 469 Ca 0.04 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1sx4 h VAL 469 Cb 0.74 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1sx4 h VAL 469 CO 0.06 0.24 -0.13 0.11 0.02 0.00 0.00 177.57 177.87 1sx4 h LYS 470 N 1.30 0.00 0.00 1.57 1.57 -0.64 -2.80 116.57 117.56 1sx4 h LYS 470 Ca 0.39 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.14 1sx4 h LYS 470 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1sx4 h LYS 470 CO -0.11 0.13 -0.12 0.78 -0.57 0.00 0.00 179.45 179.56 1sx4 h GLY 471 N 1.58 0.00 0.00 3.86 0.00 -0.32 -3.45 103.07 104.75 1sx4 h GLY 471 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sx4 h GLY 471 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1sx4 n GLY 472 N -0.40 -0.46 3.38 4.60 0.00 -1.06 -5.13 105.19 106.12 1sx4 n GLY 472 Ca -0.01 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 1sx4 n GLY 472 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sx4 s ASP 473 N -1.00 0.04 1.54 1.61 1.01 -1.26 -5.04 116.67 113.56 1sx4 s ASP 473 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.18 1sx4 s ASP 473 Cb 0.00 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.40 1sx4 s ASP 473 CO 0.00 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.03 1sx4 n GLY 474 N -0.29 3.38 2.16 0.21 0.00 -1.26 -1.72 105.19 107.67 1sx4 n GLY 474 Ca -0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 4.13 6.00 -4.73 1.61 3.02 -1.26 -4.95 115.26 119.09 1sx4 n ASN 475 Ca 0.00 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.39 1sx4 n ASN 475 Cb 0.00 -0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 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 -3.63 3.55 0.00 3.10 5.04 -0.70 0.11 117.35 124.82 1sx4 s TYR 476 Ca 0.60 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 1sx4 s TYR 476 Cb 0.48 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 39.48 1sx4 s TYR 476 CO 0.02 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 173.87 1sx4 n GLY 477 N 2.54 2.20 3.18 8.97 0.00 0.45 -4.78 105.19 117.74 1sx4 n GLY 477 Ca 0.05 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 -7.23 2.40 -0.51 1.61 5.04 -1.26 -1.61 117.35 115.78 1sx4 s TYR 478 Ca 0.00 -1.01 -0.16 0.00 -2.44 0.00 0.00 57.07 53.46 1sx4 s TYR 478 Cb 0.00 -1.62 0.11 0.00 0.35 0.00 0.00 41.96 40.80 1sx4 s TYR 478 CO 0.00 -0.43 0.46 1.21 -1.34 0.00 0.00 175.55 175.45 1sx4 s ASN 479 N 0.47 6.16 0.50 4.32 2.47 -0.61 -4.82 114.94 123.44 1sx4 s ASN 479 Ca -0.16 -1.61 0.24 0.00 0.42 0.00 0.00 52.86 51.75 1sx4 s ASN 479 Cb -0.17 -2.20 1.31 0.00 -1.45 0.00 0.00 41.25 38.74 1sx4 s ASN 479 CO 0.06 -0.77 1.92 0.00 -3.72 0.00 0.00 177.10 174.59 1sx4 h ALA 480 N 8.83 2.50 -0.34 1.71 0.00 -1.95 0.20 119.26 130.21 1sx4 h ALA 480 Ca -0.29 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1sx4 h ALA 480 Cb 1.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sx4 h ALA 480 CO 0.97 -0.72 -0.26 0.00 0.00 0.00 0.00 179.25 179.25 1sx4 h ALA 481 N 1.64 0.49 -0.30 0.00 0.00 -1.94 -3.17 119.26 115.98 1sx4 h ALA 481 Ca 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sx4 h ALA 481 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sx4 h ALA 481 CO -0.05 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.94 1sx4 n THR 482 N -4.23 0.70 -2.13 0.00 -2.24 -0.97 -4.97 114.28 100.44 1sx4 n THR 482 Ca -0.03 -0.85 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 1sx4 n THR 482 Cb 0.46 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.75 -2.02 -4.92 -0.78 1.02 0.67 -4.98 120.64 110.37 1sx4 n GLU 483 Ca 0.12 0.55 -0.33 0.00 -0.02 0.00 0.00 57.16 57.48 1sx4 n GLU 483 Cb 0.43 -5.02 -0.13 0.00 -0.02 0.00 0.00 31.44 26.69 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 -4.42 2.54 0.69 3.49 2.02 -1.15 -4.90 118.70 116.97 1sx4 s GLU 484 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 1sx4 s GLU 484 Cb 0.00 -2.37 0.05 0.00 0.10 0.00 0.00 34.13 31.91 1sx4 s GLU 484 CO 0.00 0.58 1.02 0.71 0.02 0.00 0.00 175.26 177.59 1sx4 s TYR 485 N -0.63 3.03 -5.00 1.61 1.51 -1.26 -1.57 117.35 115.05 1sx4 s TYR 485 Ca 0.09 0.58 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1sx4 s TYR 485 Cb -0.11 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1sx4 s TYR 485 CO 0.01 -1.30 0.00 0.41 -1.11 0.00 0.00 175.55 173.55 1sx4 n GLY 486 N -2.90 -0.18 3.50 0.71 0.00 -0.63 -4.91 105.19 100.77 1sx4 n GLY 486 Ca 0.07 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 6.21 0.52 1.61 3.84 -1.26 -0.42 114.94 121.45 1sx4 s ASN 487 Ca 0.00 -0.57 0.25 0.00 0.21 0.00 0.00 52.86 52.74 1sx4 s ASN 487 Cb 0.00 -2.23 1.37 0.00 -0.55 0.00 0.00 41.25 39.84 1sx4 s ASN 487 CO 0.00 -0.57 1.99 0.24 -2.79 0.00 0.00 177.10 175.96 1sx4 h MET 488 N 8.71 0.04 0.31 0.43 2.86 0.54 0.16 114.93 127.98 1sx4 h MET 488 Ca -0.27 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1sx4 h MET 488 Cb 1.11 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1sx4 h MET 488 CO 0.79 0.02 -0.15 0.82 1.06 0.00 0.00 176.91 179.46 1sx4 h ILE 489 N 0.04 0.18 -0.83 -1.22 2.04 -1.74 -0.13 117.51 115.84 1sx4 h ILE 489 Ca 0.27 -0.76 0.20 0.00 1.00 0.00 0.00 64.86 65.56 1sx4 h ILE 489 Cb 1.01 0.30 -0.15 0.00 -0.74 0.00 0.00 36.82 37.25 1sx4 h ILE 489 CO -0.01 0.05 0.00 0.44 0.00 0.00 0.00 178.15 178.62 1sx4 h ASP 490 N -1.07 -0.40 0.19 1.72 5.19 -1.68 0.35 116.42 120.71 1sx4 h ASP 490 Ca -0.04 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1sx4 h ASP 490 Cb 0.39 0.39 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1sx4 h ASP 490 CO 0.07 -0.23 0.00 0.23 -3.12 0.00 0.00 179.24 176.19 1sx4 n MET 491 N -5.39 0.20 -0.98 3.56 2.81 0.49 -4.86 117.12 112.95 1sx4 n MET 491 Ca 0.16 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1sx4 n MET 491 Cb 0.54 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 -0.27 0.41 3.19 3.03 0.00 0.12 -5.01 105.19 106.66 1sx4 n GLY 492 Ca 0.06 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 4.15 0.03 -0.61 -1.09 -0.10 -4.97 121.20 116.60 1sx4 s ILE 493 Ca 0.00 -2.22 0.01 0.00 -2.23 0.00 0.00 60.65 56.22 1sx4 s ILE 493 Cb 0.00 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1sx4 s ILE 493 CO 0.00 -0.83 -0.06 -1.48 -1.23 0.00 0.00 174.94 171.35 1sx4 s LEU 494 N 0.81 2.21 -0.04 2.97 2.34 -1.26 -0.28 118.68 125.42 1sx4 s LEU 494 Ca 0.11 -0.45 0.06 0.00 0.06 0.00 0.00 54.13 53.91 1sx4 s LEU 494 Cb -0.22 -0.08 -0.02 0.00 -0.56 0.00 0.00 46.19 45.31 1sx4 s LEU 494 CO -0.03 -0.19 -0.24 -1.81 -1.06 0.00 0.00 176.35 173.02 1sx4 s ASP 495 N -1.28 3.19 0.40 1.48 1.01 -0.66 -4.61 116.67 116.19 1sx4 s ASP 495 Ca -0.10 -0.46 -0.25 0.00 0.71 0.00 0.00 52.55 52.45 1sx4 s ASP 495 Cb -0.08 -0.65 -0.11 0.00 1.01 0.00 0.00 42.92 43.09 1sx4 s ASP 495 CO -0.00 0.29 1.15 -2.65 0.21 0.00 0.00 175.17 174.16 1sx4 n PRO 496 N 2.68 1.67 -0.03 8.23 -0.02 -1.26 -0.33 135.00 145.94 1sx4 n PRO 496 Ca -0.17 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1sx4 n PRO 496 Cb 0.52 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.91 0.93 -0.87 3.45 2.02 0.61 -0.12 112.91 120.84 1sx4 h THR 497 Ca -0.46 -0.04 0.18 0.00 0.77 0.00 0.00 66.41 66.87 1sx4 h THR 497 Cb 1.31 0.80 -0.16 0.00 -1.74 0.00 0.00 68.15 68.36 1sx4 h THR 497 CO 0.59 0.02 -0.19 1.17 0.37 0.00 0.00 175.52 177.48 1sx4 n LYS 498 N -5.08 -0.08 0.04 6.66 4.81 -1.26 -1.65 118.16 121.61 1sx4 n LYS 498 Ca -0.03 1.35 -0.20 0.00 -0.87 0.00 0.00 58.31 58.56 1sx4 n LYS 498 Cb 0.08 -2.03 -0.12 0.00 0.02 0.00 0.00 35.03 32.97 1sx4 n LYS 498 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1sx4 h VAL 499 N 0.00 1.40 -0.55 3.15 -1.51 -1.35 0.22 116.25 117.61 1sx4 h VAL 499 Ca 0.43 -2.31 0.06 0.00 -1.23 0.00 0.00 66.70 63.66 1sx4 h VAL 499 Cb 0.70 2.76 -0.05 0.00 -2.13 0.00 0.00 31.29 32.57 1sx4 h VAL 499 CO -0.89 0.68 0.25 0.74 -1.23 0.00 0.00 177.57 177.12 1sx4 h THR 500 N -0.04 0.89 0.56 7.19 2.02 -1.08 -2.06 112.91 120.38 1sx4 h THR 500 Ca -0.13 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1sx4 h THR 500 Cb 1.58 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1sx4 h THR 500 CO 0.17 0.09 -0.27 -0.09 0.37 0.00 0.00 175.52 175.78 1sx4 h ARG 501 N 0.47 -0.73 -0.64 6.66 2.43 -0.93 -2.51 114.38 119.14 1sx4 h ARG 501 Ca 0.26 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 1sx4 h ARG 501 Cb 0.23 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 1sx4 h ARG 501 CO -0.21 -0.43 -0.09 0.77 -1.51 0.00 0.00 179.97 178.50 1sx4 h SER 502 N -0.93 -0.46 -0.31 -3.80 0.02 -0.53 0.30 113.55 107.84 1sx4 h SER 502 Ca -0.08 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1sx4 h SER 502 Cb 0.64 0.35 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 1sx4 h SER 502 CO 0.13 -0.18 -0.44 0.00 -1.14 0.00 0.00 176.83 175.20 1sx4 h ALA 503 N 1.62 -0.53 -0.04 3.77 0.00 -1.38 0.08 119.26 122.77 1sx4 h ALA 503 Ca 0.32 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1sx4 h ALA 503 Cb 0.51 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1sx4 h ALA 503 CO -0.61 -0.91 -0.06 1.25 0.00 0.00 0.00 179.25 178.92 1sx4 h LEU 504 N -0.40 -0.18 -0.99 0.00 6.46 -0.35 0.36 115.31 120.22 1sx4 h LEU 504 Ca 0.11 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 1sx4 h LEU 504 Cb 0.60 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1sx4 h LEU 504 CO -0.52 -0.08 -0.08 1.56 -0.62 0.00 0.00 178.44 178.70 1sx4 h GLN 505 N -0.08 0.64 0.00 1.25 4.20 -0.18 0.38 115.11 121.32 1sx4 h GLN 505 Ca 0.04 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.39 1sx4 h GLN 505 Cb 0.14 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1sx4 h GLN 505 CO -0.09 0.71 -0.85 1.88 -0.67 0.00 0.00 178.83 179.81 1sx4 h TYR 506 N 0.59 0.00 -0.10 2.96 0.05 -0.42 -0.14 116.97 119.91 1sx4 h TYR 506 Ca 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1sx4 h TYR 506 Cb 0.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1sx4 h TYR 506 CO 0.02 0.85 -0.03 0.00 -1.05 0.00 0.00 178.16 177.95 1sx4 h ALA 507 N 1.15 0.14 -0.71 3.88 0.00 0.56 -2.99 119.26 121.29 1sx4 h ALA 507 Ca -0.01 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1sx4 h ALA 507 Cb 1.58 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1sx4 h ALA 507 CO 0.11 -0.12 0.48 0.00 0.00 0.00 0.00 179.25 179.72 1sx4 h ALA 508 N 0.67 2.19 -0.03 0.00 0.00 -0.36 -2.17 119.26 119.56 1sx4 h ALA 508 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sx4 h ALA 508 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sx4 h ALA 508 CO 0.01 -0.38 -0.01 1.03 0.00 0.00 0.00 179.25 179.90 1sx4 h SER 509 N 0.33 0.06 1.01 0.00 0.87 -0.90 -0.14 113.55 114.78 1sx4 h SER 509 Ca 0.34 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1sx4 h SER 509 Cb 0.87 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1sx4 h SER 509 CO -0.09 0.47 -0.17 1.62 -0.53 0.00 0.00 176.83 178.13 1sx4 h VAL 510 N -0.35 0.40 0.08 2.23 3.04 -1.36 -1.07 116.25 119.22 1sx4 h VAL 510 Ca 0.01 -0.99 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 1sx4 h VAL 510 Cb 0.45 1.73 0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1sx4 h VAL 510 CO 0.00 0.16 -0.51 0.00 -1.01 0.00 0.00 177.57 176.22 1sx4 h ALA 511 N 1.83 -0.05 -0.48 3.17 0.00 -0.92 -1.83 119.26 120.99 1sx4 h ALA 511 Ca -0.00 -0.61 0.07 0.00 0.00 0.00 0.00 54.91 54.36 1sx4 h ALA 511 Cb 0.72 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1sx4 h ALA 511 CO 0.02 0.24 0.16 0.78 0.00 0.00 0.00 179.25 180.45 1sx4 h GLY 512 N -0.56 0.63 -0.00 0.00 0.00 -0.87 0.12 103.07 102.38 1sx4 h GLY 512 Ca -0.09 -0.08 0.14 0.00 0.00 0.00 0.00 47.33 47.30 1sx4 h GLY 512 CO 0.10 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.17 1sx4 h LEU 513 N 0.33 -0.06 -0.02 3.11 4.07 -1.06 -0.92 115.31 120.75 1sx4 h LEU 513 Ca 0.23 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1sx4 h LEU 513 Cb 0.25 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1sx4 h LEU 513 CO -0.25 -0.04 -0.06 0.24 -1.08 0.00 0.00 178.44 177.25 1sx4 h MET 514 N 0.23 0.08 0.00 1.13 2.86 -0.49 -2.76 114.93 115.98 1sx4 h MET 514 Ca 0.37 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1sx4 h MET 514 Cb 0.60 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1sx4 h MET 514 CO -0.49 0.66 0.34 0.82 1.06 0.00 0.00 176.91 179.30 1sx4 h ILE 515 N -0.48 0.00 -0.31 -1.22 2.04 -0.36 0.48 117.51 117.65 1sx4 h ILE 515 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1sx4 h ILE 515 Cb 0.66 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1sx4 h ILE 515 CO 0.01 0.00 -0.01 0.35 0.00 0.00 0.00 178.15 178.50 1sx4 n THR 516 N -2.82 2.42 -3.36 -0.27 -2.24 -0.39 -4.82 114.28 102.80 1sx4 n THR 516 Ca -0.02 -2.25 -0.38 0.00 -2.27 0.00 0.00 64.05 59.14 1sx4 n THR 516 Cb 0.38 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.02 5.20 -0.29 4.28 2.01 0.16 -4.96 115.64 119.02 1sx4 s THR 517 Ca 0.43 0.84 0.14 0.00 0.31 0.00 0.00 61.69 63.41 1sx4 s THR 517 Cb 0.37 -3.77 -0.19 0.00 0.01 0.00 0.00 72.50 68.92 1sx4 s THR 517 CO 0.05 0.30 0.43 -0.62 -0.69 0.00 0.00 174.62 174.09 1sx4 n GLU 518 N 3.97 1.25 -3.86 4.92 -0.58 -1.26 -4.76 120.64 120.32 1sx4 n GLU 518 Ca -0.08 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.47 1sx4 n GLU 518 Cb 0.51 -1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 30.02 1sx4 n GLU 518 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sx4 s MET 520 N -1.66 0.19 -0.01 0.00 -1.94 -0.71 -5.01 119.30 110.16 1sx4 s MET 520 Ca -0.12 0.57 0.03 0.00 -1.71 0.00 0.00 55.69 54.45 1sx4 s MET 520 Cb -0.06 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.33 1sx4 s MET 520 CO 0.01 -0.44 -0.06 0.08 -0.01 0.00 0.00 175.02 174.59 1sx4 s VAL 521 N 2.42 3.69 0.15 -6.03 1.01 -1.26 -1.66 120.40 118.71 1sx4 s VAL 521 Ca 0.04 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1sx4 s VAL 521 Cb -0.14 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1sx4 s VAL 521 CO -0.11 0.44 1.03 0.28 0.00 0.00 0.00 175.10 176.75 1sx4 s THR 522 N -0.96 0.00 0.51 3.92 -1.32 -1.19 -4.99 115.64 111.61 1sx4 s THR 522 Ca 0.16 -0.58 -0.10 0.00 -1.21 0.00 0.00 61.69 59.96 1sx4 s THR 522 Cb -0.11 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1sx4 s THR 522 CO 0.06 0.00 0.88 -1.81 -2.21 0.00 0.00 174.62 171.54 1sx4 s ASP 523 N -3.15 6.37 0.31 8.08 1.01 -1.26 -1.70 116.67 126.33 1sx4 s ASP 523 Ca 0.17 1.22 -0.29 0.00 0.71 0.00 0.00 52.55 54.35 1sx4 s ASP 523 Cb -0.01 -2.37 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 1sx4 s ASP 523 CO 0.03 -0.62 1.41 -0.76 0.21 0.00 0.00 175.17 175.44 1sx4 s LEU 524 N -4.55 4.38 0.00 1.23 1.43 -1.20 -4.61 118.68 115.36 1sx4 s LEU 524 Ca 0.52 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 1sx4 s LEU 524 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1sx4 s LEU 524 CO 0.42 -0.70 0.25 -2.65 0.23 0.00 0.00 176.35 173.91