#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx2 s ASN 2 N 0.00 -0.00 0.32 7.83 2.20 -1.26 -5.01 114.94 119.01 1sx2 s ASN 2 Ca 0.00 -0.91 0.00 0.00 -0.94 0.00 0.00 52.86 51.01 1sx2 s ASN 2 Cb 0.00 0.68 0.51 0.00 -2.00 0.00 0.00 41.25 40.45 1sx2 s ASN 2 CO 0.00 -1.36 1.94 -0.29 -2.94 0.00 0.00 177.10 174.45 1sx2 h ILE 3 N 2.00 1.20 -0.09 0.54 6.09 -1.97 -0.30 117.51 124.98 1sx2 h ILE 3 Ca -0.30 -0.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.68 1sx2 h ILE 3 Cb 1.24 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 1sx2 h ILE 3 CO 0.38 0.22 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.41 1sx2 h PHE 4 N 0.89 0.17 -0.66 2.19 0.04 -1.99 -1.05 116.94 116.54 1sx2 h PHE 4 Ca 0.23 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1sx2 h PHE 4 Cb 0.04 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1sx2 h PHE 4 CO 0.01 0.44 0.29 0.93 -0.60 0.00 0.00 178.31 179.38 1sx2 h GLU 5 N -0.14 0.94 0.20 1.51 5.08 -1.86 -0.29 114.58 120.03 1sx2 h GLU 5 Ca 0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1sx2 h GLU 5 Cb 0.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sx2 h GLU 5 CO 0.01 0.75 -0.10 1.98 -1.00 0.00 0.00 179.01 180.65 1sx2 h MET 6 N 0.94 -0.26 -0.02 2.33 4.05 -0.94 -1.89 114.93 119.14 1sx2 h MET 6 Ca 0.23 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.57 1sx2 h MET 6 Cb 0.14 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1sx2 h MET 6 CO -0.03 -0.08 -0.45 -0.07 0.23 0.00 0.00 176.91 176.52 1sx2 h LEU 7 N -0.39 0.04 -0.66 3.39 3.38 -1.06 -1.71 115.31 118.30 1sx2 h LEU 7 Ca -0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1sx2 h LEU 7 Cb 0.30 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1sx2 h LEU 7 CO 0.05 0.49 0.15 -0.09 0.09 0.00 0.00 178.44 179.12 1sx2 h ARG 8 N 0.03 1.07 -0.28 1.13 9.65 -0.90 0.18 114.38 125.27 1sx2 h ARG 8 Ca -0.00 -0.27 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1sx2 h ARG 8 Cb 0.81 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1sx2 h ARG 8 CO 0.06 0.97 0.14 0.82 2.80 0.00 0.00 179.97 184.76 1sx2 h ILE 9 N 1.00 0.99 -0.00 1.20 2.04 -1.00 -0.75 117.51 120.98 1sx2 h ILE 9 Ca 0.21 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 1sx2 h ILE 9 Cb 0.38 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1sx2 h ILE 9 CO 0.00 0.05 -0.70 0.44 0.00 0.00 0.00 178.15 177.95 1sx2 h ASP 10 N 0.29 0.02 0.00 1.72 3.32 -0.88 -3.34 116.42 117.56 1sx2 h ASP 10 Ca 0.12 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1sx2 h ASP 10 Cb 0.04 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1sx2 h ASP 10 CO -0.08 0.71 -1.71 -0.62 -1.72 0.00 0.00 179.24 175.82 1sx2 n GLU 11 N -3.72 0.48 -0.31 3.56 -0.58 0.61 -5.09 120.64 115.59 1sx2 n GLU 11 Ca -0.01 -0.14 0.04 0.00 -0.42 0.00 0.00 57.16 56.63 1sx2 n GLU 11 Cb 0.68 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 1sx2 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sx2 n GLY 12 N 1.62 -1.92 2.71 0.62 0.00 -0.29 -4.32 105.19 103.62 1sx2 n GLY 12 Ca -0.03 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 1sx2 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sx2 s LEU 13 N 0.00 0.39 -0.02 0.99 2.96 -1.26 -4.18 118.68 117.56 1sx2 s LEU 13 Ca 0.00 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1sx2 s LEU 13 Cb 0.00 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1sx2 s LEU 13 CO 0.00 -0.22 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.63 1sx2 s ARG 14 N 1.98 0.65 0.00 1.98 1.81 -0.43 -5.00 118.95 119.93 1sx2 s ARG 14 Ca 0.03 -0.17 0.25 0.00 -1.72 0.00 0.00 55.73 54.12 1sx2 s ARG 14 Cb -0.12 -0.65 0.34 0.00 -0.45 0.00 0.00 34.95 34.07 1sx2 s ARG 14 CO -0.04 0.04 1.32 1.28 -0.68 0.00 0.00 175.30 177.23 1sx2 n LEU 15 N 3.43 2.15 -4.29 2.53 4.77 -1.26 -0.23 117.00 124.10 1sx2 n LEU 15 Ca -0.19 -0.73 -0.27 0.00 -0.03 0.00 0.00 56.01 54.79 1sx2 n LEU 15 Cb 0.54 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1sx2 n LEU 15 CO 0.24 0.37 -0.54 -0.54 -1.33 0.00 0.00 177.39 175.60 1sx2 s LYS 16 N -2.23 1.50 0.24 3.23 1.02 -1.26 -0.81 119.74 121.43 1sx2 s LYS 16 Ca 0.26 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.90 1sx2 s LYS 16 Cb 0.19 -1.68 -0.14 0.00 -0.52 0.00 0.00 37.83 35.69 1sx2 s LYS 16 CO 0.43 0.43 1.32 -0.89 -0.92 0.00 0.00 175.35 175.72 1sx2 n ILE 17 N 1.69 1.13 -4.14 2.17 5.41 -0.61 -4.76 119.36 120.25 1sx2 n ILE 17 Ca -0.17 -0.28 -0.12 0.00 1.00 0.00 0.00 62.75 63.18 1sx2 n ILE 17 Cb 0.53 -1.34 -0.08 0.00 -0.71 0.00 0.00 39.64 38.04 1sx2 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1sx2 s TYR 18 N -0.27 0.96 -0.17 1.39 -0.85 -0.12 -4.96 117.35 113.33 1sx2 s TYR 18 Ca 0.67 -1.21 -0.12 0.00 -0.52 0.00 0.00 57.07 55.90 1sx2 s TYR 18 Cb -0.68 -0.33 -0.05 0.00 0.38 0.00 0.00 41.96 41.28 1sx2 s TYR 18 CO 0.52 -0.78 0.21 0.15 -1.52 0.00 0.00 175.55 174.14 1sx2 s LYS 19 N -4.03 4.13 0.23 -3.49 1.02 -1.26 -0.56 119.74 115.77 1sx2 s LYS 19 Ca 0.34 -0.05 -0.04 0.00 0.02 0.00 0.00 55.97 56.24 1sx2 s LYS 19 Cb 0.04 -3.39 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1sx2 s LYS 19 CO 0.12 0.34 0.26 -0.40 -0.92 0.00 0.00 175.35 174.75 1sx2 n ASP 20 N 3.31 -0.55 0.07 2.83 5.68 -0.16 -4.79 116.55 122.93 1sx2 n ASP 20 Ca -0.15 -0.89 0.11 0.00 -0.50 0.00 0.00 54.79 53.37 1sx2 n ASP 20 Cb 0.52 -0.21 0.45 0.00 -1.14 0.00 0.00 41.12 40.74 1sx2 n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1sx2 n THR 21 N -2.67 0.65 1.01 2.12 5.66 -1.26 -1.04 114.28 118.75 1sx2 n THR 21 Ca 0.03 0.06 0.11 0.00 -3.05 0.00 0.00 64.05 61.21 1sx2 n THR 21 Cb 0.12 -0.85 0.33 0.00 -1.55 0.00 0.00 70.33 68.38 1sx2 n THR 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sx2 n GLU 22 N -1.92 1.97 -0.69 1.09 -0.58 -1.26 -4.94 120.64 114.30 1sx2 n GLU 22 Ca 0.04 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 1sx2 n GLU 22 Cb 0.29 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1sx2 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sx2 n GLY 23 N 1.25 0.62 3.78 0.62 0.00 -0.20 -5.05 105.19 106.19 1sx2 n GLY 23 Ca 0.17 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1sx2 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sx2 s TYR 24 N -2.00 3.37 0.19 1.61 2.02 -1.26 -4.72 117.35 116.56 1sx2 s TYR 24 Ca 0.00 0.35 -0.32 0.00 -0.37 0.00 0.00 57.07 56.73 1sx2 s TYR 24 Cb 0.00 -1.86 -0.11 0.00 -0.40 0.00 0.00 41.96 39.59 1sx2 s TYR 24 CO 0.00 0.60 1.62 0.71 -1.57 0.00 0.00 175.55 176.91 1sx2 s TYR 25 N -0.96 2.98 0.08 2.71 2.02 -1.23 -0.99 117.35 121.96 1sx2 s TYR 25 Ca 0.14 0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 57.32 1sx2 s TYR 25 Cb -0.12 -4.01 -0.01 0.00 -0.40 0.00 0.00 41.96 37.42 1sx2 s TYR 25 CO 0.03 -3.75 0.12 0.99 -1.57 0.00 0.00 175.55 171.38 1sx2 s THR 26 N 1.04 0.16 0.21 -0.71 2.01 0.27 -0.78 115.64 117.85 1sx2 s THR 26 Ca 0.71 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 1sx2 s THR 26 Cb -0.46 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1sx2 s THR 26 CO 0.33 -0.75 0.41 -0.51 -0.69 0.00 0.00 174.62 173.41 1sx2 s ILE 27 N -3.88 0.03 0.00 1.82 2.07 -0.43 -0.95 121.20 119.86 1sx2 s ILE 27 Ca 0.06 -1.29 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 1sx2 s ILE 27 Cb 0.06 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 40.69 1sx2 s ILE 27 CO -0.10 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.41 1sx2 n GLY 28 N -0.31 1.41 3.15 1.50 0.00 0.68 -1.18 105.19 110.44 1sx2 n GLY 28 Ca -0.05 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1sx2 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sx2 n ILE 29 N 0.00 3.91 -2.54 -0.61 5.41 -1.26 -1.32 119.36 122.96 1sx2 n ILE 29 Ca 0.00 -5.34 -0.17 0.00 1.00 0.00 0.00 62.75 58.24 1sx2 n ILE 29 Cb 0.00 -2.41 0.01 0.00 -0.71 0.00 0.00 39.64 36.53 1sx2 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sx2 n GLY 30 N 2.24 -0.32 3.46 7.39 0.00 -1.24 -4.85 105.19 111.88 1sx2 n GLY 30 Ca 0.24 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1sx2 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sx2 s HIS 31 N -2.93 2.70 0.13 1.61 5.04 -0.32 -4.93 115.29 116.59 1sx2 s HIS 31 Ca 0.10 -0.46 -0.31 0.00 -1.54 0.00 0.00 55.06 52.84 1sx2 s HIS 31 Cb -0.04 -4.24 -0.10 0.00 0.04 0.00 0.00 32.58 28.24 1sx2 s HIS 31 CO 0.12 -1.59 1.71 -1.17 -2.34 0.00 0.00 174.74 171.47 1sx2 s LEU 32 N 4.01 4.38 -0.18 8.88 2.96 -1.26 -1.31 118.68 136.16 1sx2 s LEU 32 Ca 0.23 2.67 -0.08 0.00 -0.22 0.00 0.00 54.13 56.73 1sx2 s LEU 32 Cb -0.16 -3.58 -0.22 0.00 0.50 0.00 0.00 46.19 42.74 1sx2 s LEU 32 CO 0.12 -0.93 0.14 0.18 -1.32 0.00 0.00 176.35 174.54 1sx2 n LEU 33 N 5.00 2.52 -3.54 -0.68 4.77 0.04 -4.95 117.00 120.15 1sx2 n LEU 33 Ca 0.16 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.24 1sx2 n LEU 33 Cb 0.38 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1sx2 n LEU 33 CO 0.64 0.75 0.78 0.28 -1.33 0.00 0.00 177.39 178.51 1sx2 s THR 34 N -2.51 0.00 -2.08 -5.08 -1.32 -1.20 -4.89 115.64 98.55 1sx2 s THR 34 Ca -0.28 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.46 1sx2 s THR 34 Cb 0.08 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.36 1sx2 s THR 34 CO 0.67 0.00 1.51 0.29 -2.21 0.00 0.00 174.62 174.89 1sx2 n LYS 35 N 0.08 1.22 -1.95 7.08 5.02 -1.26 -3.53 118.16 124.82 1sx2 n LYS 35 Ca -0.07 -0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 55.03 1sx2 n LYS 35 Cb 0.60 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1sx2 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sx2 s SER 36 N -2.33 5.90 0.00 4.39 0.15 -1.26 -4.92 113.70 115.63 1sx2 s SER 36 Ca 0.27 2.70 0.23 0.00 0.70 0.00 0.00 55.95 59.85 1sx2 s SER 36 Cb 0.20 -2.64 1.40 0.00 -1.71 0.00 0.00 66.02 63.27 1sx2 s SER 36 CO 0.47 -1.13 1.79 -0.81 1.20 0.00 0.00 173.24 174.75 1sx2 n PRO 37 N -0.35 0.80 -3.21 5.44 -0.04 -1.26 -4.72 135.00 131.65 1sx2 n PRO 37 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1sx2 n PRO 37 Cb 0.44 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1sx2 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sx2 s SER 38 N -1.94 6.31 0.34 3.54 0.15 -1.26 -4.91 113.70 115.93 1sx2 s SER 38 Ca 0.35 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.87 1sx2 s SER 38 Cb 0.16 -2.28 0.68 0.00 -1.71 0.00 0.00 66.02 62.88 1sx2 s SER 38 CO 0.27 -0.57 1.94 0.25 1.20 0.00 0.00 173.24 176.33 1sx2 h LEU 39 N 9.24 0.74 -1.10 3.45 5.85 -2.00 -1.79 115.31 129.70 1sx2 h LEU 39 Ca -0.27 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1sx2 h LEU 39 Cb 1.12 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1sx2 h LEU 39 CO 0.81 0.47 0.18 0.78 -0.34 0.00 0.00 178.44 180.34 1sx2 h ASN 40 N 0.83 0.76 -0.83 1.25 2.35 -1.98 0.14 115.58 118.11 1sx2 h ASN 40 Ca 0.34 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1sx2 h ASN 40 Cb 0.26 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1sx2 h ASN 40 CO -0.12 0.71 0.39 0.00 -1.65 0.00 0.00 177.43 176.77 1sx2 h ALA 41 N 1.39 1.07 -0.67 -0.83 0.00 -1.75 -0.82 119.26 117.65 1sx2 h ALA 41 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1sx2 h ALA 41 Cb 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sx2 h ALA 41 CO -0.01 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.09 1sx2 h ALA 42 N 1.21 0.88 -0.53 0.00 0.00 -0.66 -1.47 119.26 118.69 1sx2 h ALA 42 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1sx2 h ALA 42 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sx2 h ALA 42 CO -0.03 0.55 0.02 0.87 0.00 0.00 0.00 179.25 180.65 1sx2 h LYS 43 N 0.97 0.88 -0.52 0.00 1.57 -0.36 -0.87 116.57 118.23 1sx2 h LYS 43 Ca 0.22 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1sx2 h LYS 43 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sx2 h LYS 43 CO -0.01 0.86 0.08 1.03 -0.57 0.00 0.00 179.45 180.85 1sx2 h SER 44 N 0.82 0.84 -0.82 0.86 0.87 -0.93 -1.18 113.55 114.00 1sx2 h SER 44 Ca 0.16 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1sx2 h SER 44 Cb 0.46 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1sx2 h SER 44 CO 0.02 0.89 0.52 -0.33 -0.53 0.00 0.00 176.83 177.40 1sx2 h GLU 45 N 0.75 0.98 -0.37 2.24 4.39 -0.89 -1.74 114.58 119.94 1sx2 h GLU 45 Ca 0.16 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1sx2 h GLU 45 Cb 0.41 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1sx2 h GLU 45 CO 0.01 0.65 0.22 1.25 -1.16 0.00 0.00 179.01 179.98 1sx2 h LEU 46 N 1.01 0.45 -0.40 1.33 5.85 -0.83 -0.55 115.31 122.17 1sx2 h LEU 46 Ca 0.33 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1sx2 h LEU 46 Cb 0.03 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1sx2 h LEU 46 CO -0.12 0.37 0.10 0.44 -0.34 0.00 0.00 178.44 178.89 1sx2 h ASP 47 N 0.49 0.07 -0.47 1.25 3.32 -0.87 -0.89 116.42 119.31 1sx2 h ASP 47 Ca 0.13 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1sx2 h ASP 47 Cb 0.00 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1sx2 h ASP 47 CO -0.03 0.07 -0.00 0.50 -1.72 0.00 0.00 179.24 178.07 1sx2 h LYS 48 N 0.25 0.89 -0.60 3.56 3.64 -1.09 0.13 116.57 123.34 1sx2 h LYS 48 Ca 0.19 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1sx2 h LYS 48 Cb 0.21 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1sx2 h LYS 48 CO -0.23 0.89 -0.03 0.00 -2.27 0.00 0.00 179.45 177.81 1sx2 h ALA 49 N 1.17 0.82 0.00 5.00 0.00 -0.27 -3.29 119.26 122.69 1sx2 h ALA 49 Ca 0.16 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1sx2 h ALA 49 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1sx2 h ALA 49 CO 0.02 0.68 -1.72 -0.89 0.00 0.00 0.00 179.25 177.34 1sx2 n ILE 50 N -4.17 0.71 -1.60 0.00 2.08 -0.42 -5.01 119.36 110.95 1sx2 n ILE 50 Ca 0.03 -0.63 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1sx2 n ILE 50 Cb 0.36 -0.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.90 1sx2 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sx2 n GLY 51 N 1.37 0.50 3.78 7.39 0.00 0.02 -5.05 105.19 113.20 1sx2 n GLY 51 Ca -0.10 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1sx2 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sx2 s ARG 52 N -3.28 2.20 -1.01 1.61 1.70 -1.14 -5.05 118.95 113.98 1sx2 s ARG 52 Ca 0.00 -1.46 -0.23 0.00 -0.47 0.00 0.00 55.73 53.57 1sx2 s ARG 52 Cb 0.00 0.61 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 1sx2 s ARG 52 CO 0.00 -1.02 1.69 1.21 -1.08 0.00 0.00 175.30 176.10 1sx2 s ASN 53 N -3.08 5.92 0.05 -2.89 3.84 -1.26 -4.43 114.94 113.08 1sx2 s ASN 53 Ca 0.17 -1.25 0.13 0.00 0.21 0.00 0.00 52.86 52.12 1sx2 s ASN 53 Cb -0.05 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.91 1sx2 s ASN 53 CO 0.12 -2.05 0.92 0.00 -2.79 0.00 0.00 177.10 173.30 1sx2 n ASN 55 N -3.10 -0.74 -0.80 0.00 5.15 -1.26 -1.43 115.26 113.08 1sx2 n ASN 55 Ca -0.09 -1.15 -0.10 0.00 -0.60 0.00 0.00 54.58 52.63 1sx2 n ASN 55 Cb 0.94 -2.36 -0.04 0.00 -0.53 0.00 0.00 39.78 37.79 1sx2 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sx2 n GLY 56 N -2.20 1.17 2.95 8.20 0.00 -1.26 -4.96 105.19 109.09 1sx2 n GLY 56 Ca -0.27 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1sx2 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx2 s VAL 57 N -2.32 0.70 0.34 1.61 1.01 -0.52 -1.57 120.40 119.64 1sx2 s VAL 57 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1sx2 s VAL 57 Cb 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 1sx2 s VAL 57 CO 0.00 0.24 0.05 0.27 0.00 0.00 0.00 175.10 175.67 1sx2 s ILE 58 N 0.55 1.28 0.51 2.22 -4.36 0.01 -4.57 121.20 116.85 1sx2 s ILE 58 Ca -0.08 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 1sx2 s ILE 58 Cb -0.12 -2.82 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 1sx2 s ILE 58 CO 0.01 0.00 0.79 0.42 0.24 0.00 0.00 174.94 176.40 1sx2 s THR 59 N -3.23 4.11 0.21 8.37 -4.23 -1.26 -4.77 115.64 114.83 1sx2 s THR 59 Ca 0.36 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 1sx2 s THR 59 Cb 0.09 -3.57 0.14 0.00 1.34 0.00 0.00 72.50 70.49 1sx2 s THR 59 CO 0.16 -0.52 1.80 0.50 -0.54 0.00 0.00 174.62 176.02 1sx2 h LYS 60 N 0.13 0.61 -0.96 3.99 3.64 -1.98 0.27 116.57 122.27 1sx2 h LYS 60 Ca -0.46 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1sx2 h LYS 60 Cb 1.24 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1sx2 h LYS 60 CO 0.60 0.41 0.62 -0.44 -2.27 0.00 0.00 179.45 178.36 1sx2 h ASP 61 N 0.63 1.01 -0.22 4.20 3.45 -1.99 0.04 116.42 123.55 1sx2 h ASP 61 Ca 0.29 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 1sx2 h ASP 61 Cb 0.21 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1sx2 h ASP 61 CO -0.20 0.67 0.04 -0.33 -1.57 0.00 0.00 179.24 177.86 1sx2 h GLU 62 N 1.16 0.36 -0.64 3.56 5.08 -1.85 0.16 114.58 122.42 1sx2 h GLU 62 Ca 0.40 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 1sx2 h GLU 62 Cb 0.07 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1sx2 h GLU 62 CO -0.14 0.50 0.36 0.00 -1.00 0.00 0.00 179.01 178.72 1sx2 h ALA 63 N 0.85 0.84 -0.13 3.43 0.00 -0.46 -1.71 119.26 122.09 1sx2 h ALA 63 Ca 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1sx2 h ALA 63 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sx2 h ALA 63 CO 0.00 0.05 -0.29 0.93 0.00 0.00 0.00 179.25 179.94 1sx2 h GLU 64 N 0.67 0.24 -0.17 0.00 5.08 -0.65 -1.23 114.58 118.53 1sx2 h GLU 64 Ca 0.28 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1sx2 h GLU 64 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sx2 h GLU 64 CO -0.16 0.51 0.00 -0.22 -1.00 0.00 0.00 179.01 178.15 1sx2 h LYS 65 N 0.21 0.30 -0.97 2.33 3.64 -0.39 0.09 116.57 121.78 1sx2 h LYS 65 Ca 0.03 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1sx2 h LYS 65 Cb 0.63 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1sx2 h LYS 65 CO 0.05 0.51 0.64 -0.07 -2.27 0.00 0.00 179.45 178.31 1sx2 h LEU 66 N 0.06 1.09 -0.35 5.20 3.38 -1.17 -1.56 115.31 121.96 1sx2 h LEU 66 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1sx2 h LEU 66 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sx2 h LEU 66 CO 0.01 0.78 0.10 0.15 0.09 0.00 0.00 178.44 179.56 1sx2 h PHE 67 N 1.28 0.57 -0.39 1.13 3.57 -0.94 0.61 116.94 122.77 1sx2 h PHE 67 Ca 0.37 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.87 1sx2 h PHE 67 Cb -0.10 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.42 1sx2 h PHE 67 CO -0.00 0.57 0.03 -0.91 -2.23 0.00 0.00 178.31 175.77 1sx2 h ASN 68 N 0.41 -0.10 -0.27 0.41 -0.26 -0.72 -0.05 115.58 115.00 1sx2 h ASN 68 Ca 0.11 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1sx2 h ASN 68 Cb 0.27 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1sx2 h ASN 68 CO -0.00 -0.01 0.18 1.56 -1.06 0.00 0.00 177.43 178.09 1sx2 h GLN 69 N 0.14 0.36 -0.48 0.81 4.20 -0.99 -1.77 115.11 117.38 1sx2 h GLN 69 Ca 0.19 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1sx2 h GLN 69 Cb 0.26 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1sx2 h GLN 69 CO -0.30 0.24 0.03 -0.44 -0.67 0.00 0.00 178.83 177.69 1sx2 h ASP 70 N 0.37 0.82 -0.19 1.46 3.32 -0.39 0.58 116.42 122.39 1sx2 h ASP 70 Ca 0.10 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1sx2 h ASP 70 Cb -0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1sx2 h ASP 70 CO -0.02 0.91 0.07 0.58 -1.72 0.00 0.00 179.24 179.06 1sx2 h VAL 71 N 0.70 1.17 -0.50 -1.35 2.07 -0.95 -0.76 116.25 116.63 1sx2 h VAL 71 Ca 0.14 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1sx2 h VAL 71 Cb 0.47 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1sx2 h VAL 71 CO 0.02 0.16 0.18 0.00 0.02 0.00 0.00 177.57 177.96 1sx2 h ALA 72 N 0.91 0.61 -0.13 1.67 0.00 -1.14 -1.42 119.26 119.76 1sx2 h ALA 72 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1sx2 h ALA 72 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sx2 h ALA 72 CO -0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 179.25 178.72 1sx2 h ALA 73 N 1.33 1.21 -0.25 0.00 0.00 -0.79 -0.83 119.26 119.93 1sx2 h ALA 73 Ca 0.24 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1sx2 h ALA 73 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sx2 h ALA 73 CO -0.24 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.56 1sx2 h ALA 74 N 1.44 0.34 -0.20 0.00 0.00 -0.46 -0.49 119.26 119.90 1sx2 h ALA 74 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sx2 h ALA 74 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sx2 h ALA 74 CO 0.05 0.04 0.11 0.28 0.00 0.00 0.00 179.25 179.72 1sx2 h VAL 75 N 0.22 1.11 -0.79 0.00 2.07 -1.11 -0.81 116.25 116.94 1sx2 h VAL 75 Ca 0.07 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1sx2 h VAL 75 Cb 0.36 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1sx2 h VAL 75 CO 0.01 0.11 0.39 -0.09 0.02 0.00 0.00 177.57 178.01 1sx2 h ARG 76 N 0.21 1.13 -0.43 1.57 9.65 -1.05 -1.82 114.38 123.64 1sx2 h ARG 76 Ca 0.07 -0.16 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 1sx2 h ARG 76 Cb 0.08 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1sx2 h ARG 76 CO -0.01 0.87 -0.25 0.78 2.80 0.00 0.00 179.97 184.15 1sx2 h GLY 77 N 1.11 1.02 0.45 2.80 0.00 -0.95 -2.33 103.07 105.17 1sx2 h GLY 77 Ca 0.27 -0.95 0.09 0.00 0.00 0.00 0.00 47.33 46.75 1sx2 h GLY 77 CO -0.04 0.86 0.32 -2.22 0.00 0.00 0.00 176.54 175.46 1sx2 h ILE 78 N 0.77 0.83 0.00 2.60 2.04 -0.79 -1.75 117.51 121.20 1sx2 h ILE 78 Ca 0.09 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1sx2 h ILE 78 Cb 0.83 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1sx2 h ILE 78 CO 0.07 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1sx2 n LEU 79 N -4.90 0.68 -0.91 1.44 4.77 -0.72 -1.92 117.00 115.45 1sx2 n LEU 79 Ca 0.10 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.83 1sx2 n LEU 79 Cb 0.27 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1sx2 n LEU 79 CO 0.24 -0.42 0.67 0.54 -1.33 0.00 0.00 177.39 177.09 1sx2 n ARG 80 N -2.21 2.25 -3.72 3.23 1.74 -0.73 -4.84 116.66 112.38 1sx2 n ARG 80 Ca 0.03 -1.82 -0.37 0.00 -0.77 0.00 0.00 57.85 54.93 1sx2 n ARG 80 Cb 0.29 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 1sx2 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sx2 s ASN 81 N -1.96 5.64 0.52 0.55 3.84 -0.77 -4.98 114.94 117.78 1sx2 s ASN 81 Ca 0.30 -0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.57 1sx2 s ASN 81 Cb 0.20 -2.02 1.42 0.00 -0.55 0.00 0.00 41.25 40.30 1sx2 s ASN 81 CO 0.31 -0.00 2.08 0.00 -2.79 0.00 0.00 177.10 176.69 1sx2 h ALA 82 N 8.00 1.36 0.21 1.71 0.00 -1.92 0.13 119.26 128.75 1sx2 h ALA 82 Ca -0.37 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1sx2 h ALA 82 Cb 1.18 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1sx2 h ALA 82 CO 0.59 0.15 -1.60 0.87 0.00 0.00 0.00 179.25 179.26 1sx2 h LYS 83 N 0.00 0.45 0.04 0.00 1.57 -1.93 -3.40 116.57 113.30 1sx2 h LYS 83 Ca -0.00 -0.77 -0.29 0.00 -1.87 0.00 0.00 60.65 57.71 1sx2 h LYS 83 Cb 0.31 0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1sx2 h LYS 83 CO 0.02 1.36 -1.62 -0.07 -0.57 0.00 0.00 179.45 178.57 1sx2 h LEU 84 N 0.12 0.13 -0.15 2.94 3.38 -1.71 -3.38 115.31 116.64 1sx2 h LEU 84 Ca -0.29 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.49 1sx2 h LEU 84 Cb 2.13 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.79 1sx2 h LEU 84 CO 0.22 1.20 -0.10 0.50 0.09 0.00 0.00 178.44 180.35 1sx2 h LYS 85 N 0.02 -0.10 -0.66 1.13 3.64 -0.71 -0.41 116.57 119.48 1sx2 h LYS 85 Ca -0.26 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1sx2 h LYS 85 Cb 1.98 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.80 1sx2 h LYS 85 CO 0.10 -0.07 0.31 -1.00 -2.27 0.00 0.00 179.45 176.52 1sx2 h PRO 86 N -0.11 0.94 -0.07 1.90 0.13 -1.78 -0.72 132.00 132.29 1sx2 h PRO 86 Ca 0.09 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1sx2 h PRO 86 Cb 0.24 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 1sx2 h PRO 86 CO -0.21 0.73 0.00 0.28 -0.23 0.00 0.00 178.00 178.57 1sx2 h VAL 87 N 0.93 1.25 -0.31 1.56 2.07 -1.62 -1.25 116.25 118.88 1sx2 h VAL 87 Ca 0.23 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1sx2 h VAL 87 Cb 0.11 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1sx2 h VAL 87 CO -0.03 0.22 -0.17 0.22 0.02 0.00 0.00 177.57 177.83 1sx2 h TYR 88 N -0.16 -0.42 0.00 1.57 3.20 -0.76 -1.71 116.97 118.69 1sx2 h TYR 88 Ca 0.02 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1sx2 h TYR 88 Cb 0.34 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1sx2 h TYR 88 CO 0.03 -0.24 -0.25 -0.44 -1.64 0.00 0.00 178.16 175.62 1sx2 h ASP 89 N -0.13 0.00 1.56 -2.11 3.32 -1.02 -2.38 116.42 115.65 1sx2 h ASP 89 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1sx2 h ASP 89 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1sx2 h ASP 89 CO -0.39 0.25 0.00 0.77 -1.72 0.00 0.00 179.24 178.16 1sx2 h SER 90 N 0.00 0.00 -3.40 6.45 4.64 -0.33 -3.46 113.55 117.46 1sx2 h SER 90 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1sx2 h SER 90 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1sx2 h SER 90 CO 0.03 0.00 -0.05 -0.76 -0.87 0.00 0.00 176.83 175.19 1sx2 s LEU 91 N -6.19 4.31 0.97 5.97 1.43 -0.90 -5.08 118.68 119.19 1sx2 s LEU 91 Ca 0.04 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 1sx2 s LEU 91 Cb 0.07 -3.41 0.18 0.00 0.03 0.00 0.00 46.19 43.06 1sx2 s LEU 91 CO 0.61 0.06 1.10 1.51 0.23 0.00 0.00 176.35 179.86 1sx2 s ASP 92 N -1.80 2.53 0.46 2.29 -4.77 -1.26 -4.69 116.67 109.43 1sx2 s ASP 92 Ca 0.40 1.90 0.15 0.00 -3.30 0.00 0.00 52.55 51.71 1sx2 s ASP 92 Cb -0.15 -2.45 1.07 0.00 -1.09 0.00 0.00 42.92 40.31 1sx2 s ASP 92 CO 0.20 -3.30 2.03 0.00 0.70 0.00 0.00 175.17 174.79 1sx2 h ALA 93 N -2.00 1.74 0.02 2.11 0.00 -1.98 0.15 119.26 119.30 1sx2 h ALA 93 Ca -0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1sx2 h ALA 93 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1sx2 h ALA 93 CO 0.46 0.18 -0.01 0.28 0.00 0.00 0.00 179.25 180.16 1sx2 h VAL 94 N 0.00 1.35 -0.13 0.00 2.07 -1.92 -3.06 116.25 114.57 1sx2 h VAL 94 Ca -0.00 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1sx2 h VAL 94 Cb 0.26 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1sx2 h VAL 94 CO 0.02 0.29 -0.15 0.03 0.02 0.00 0.00 177.57 177.79 1sx2 h ARG 95 N -0.53 0.20 -0.96 1.57 3.08 -1.73 -1.12 114.38 114.90 1sx2 h ARG 95 Ca -0.00 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.11 1sx2 h ARG 95 Cb 0.50 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1sx2 h ARG 95 CO 0.00 0.35 0.59 0.93 -1.07 0.00 0.00 179.97 180.78 1sx2 h GLU 96 N 0.19 0.93 -0.88 0.04 5.08 -0.97 -1.46 114.58 117.50 1sx2 h GLU 96 Ca 0.04 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1sx2 h GLU 96 Cb 0.38 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1sx2 h GLU 96 CO 0.02 0.61 0.54 0.00 -1.00 0.00 0.00 179.01 179.19 1sx2 h ALA 98 N 1.43 1.11 -0.40 0.00 0.00 -1.23 -0.04 119.26 120.14 1sx2 h ALA 98 Ca 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1sx2 h ALA 98 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sx2 h ALA 98 CO -0.20 0.54 0.02 1.25 0.00 0.00 0.00 179.25 180.86 1sx2 h LEU 99 N 1.20 0.67 -0.77 0.00 5.85 -1.05 -1.84 115.31 119.37 1sx2 h LEU 99 Ca 0.32 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1sx2 h LEU 99 Cb -0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1sx2 h LEU 99 CO -0.06 0.80 0.49 0.40 -0.34 0.00 0.00 178.44 179.73 1sx2 h ILE 100 N 0.52 1.12 -0.27 4.05 2.04 -0.95 -1.87 117.51 122.15 1sx2 h ILE 100 Ca 0.11 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1sx2 h ILE 100 Cb 0.45 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1sx2 h ILE 100 CO 0.02 0.18 0.07 -1.13 0.00 0.00 0.00 178.15 177.28 1sx2 h ASN 101 N 0.96 0.05 -0.57 1.72 -0.73 -0.72 0.43 115.58 116.72 1sx2 h ASN 101 Ca 0.31 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.54 1sx2 h ASN 101 Cb 0.00 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 1sx2 h ASN 101 CO -0.11 0.06 0.33 0.24 -0.37 0.00 0.00 177.43 177.59 1sx2 h MET 102 N 0.18 0.63 -0.70 6.67 2.86 -1.03 -1.56 114.93 121.99 1sx2 h MET 102 Ca 0.12 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1sx2 h MET 102 Cb 0.11 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1sx2 h MET 102 CO -0.15 0.42 0.28 0.28 1.06 0.00 0.00 176.91 178.80 1sx2 h VAL 103 N 0.65 1.24 -0.70 -2.22 2.07 -0.90 -0.25 116.25 116.14 1sx2 h VAL 103 Ca 0.23 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1sx2 h VAL 103 Cb 0.06 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1sx2 h VAL 103 CO -0.12 0.31 0.40 0.15 0.02 0.00 0.00 177.57 178.33 1sx2 h PHE 104 N 0.99 0.72 0.05 1.57 3.57 -0.50 0.14 116.94 123.49 1sx2 h PHE 104 Ca 0.23 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.57 1sx2 h PHE 104 Cb 0.21 -0.22 0.02 0.00 2.79 0.00 0.00 35.95 38.74 1sx2 h PHE 104 CO 0.01 0.34 -0.77 0.37 -2.23 0.00 0.00 178.31 176.03 1sx2 h GLN 105 N 0.72 0.43 -0.00 1.11 4.15 -0.80 -3.40 115.11 117.32 1sx2 h GLN 105 Ca 0.32 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1sx2 h GLN 105 Cb 0.21 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1sx2 h GLN 105 CO -0.19 1.19 -0.13 0.00 -1.93 0.00 0.00 178.83 177.76 1sx2 n MET 106 N -4.11 5.49 0.00 1.69 0.00 -0.15 -5.11 117.12 114.93 1sx2 n MET 106 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1sx2 n MET 106 Cb 0.77 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 33.31 1sx2 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sx2 n GLY 107 N 1.01 0.45 0.12 3.17 0.00 0.47 -4.22 105.19 106.19 1sx2 n GLY 107 Ca 0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1sx2 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sx2 h GLU 108 N 0.00 -0.10 -0.68 1.61 4.81 -1.92 -2.05 114.58 116.24 1sx2 h GLU 108 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1sx2 h GLU 108 Cb 0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1sx2 h GLU 108 CO 0.00 -0.07 0.37 1.15 -0.73 0.00 0.00 179.01 179.73 1sx2 h THR 109 N -0.11 1.21 -0.32 0.32 2.02 -1.97 -0.19 112.91 113.87 1sx2 h THR 109 Ca 0.05 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1sx2 h THR 109 Cb 0.18 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1sx2 h THR 109 CO -0.12 0.23 0.18 1.23 0.37 0.00 0.00 175.52 177.42 1sx2 h GLY 110 N 0.94 0.48 1.02 2.16 0.00 -1.67 -2.31 103.07 103.69 1sx2 h GLY 110 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1sx2 h GLY 110 CO -0.04 0.20 0.10 -2.08 0.00 0.00 0.00 176.54 174.73 1sx2 h VAL 111 N 0.41 1.26 0.00 4.60 2.07 -1.16 -2.50 116.25 120.93 1sx2 h VAL 111 Ca 0.11 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1sx2 h VAL 111 Cb 0.04 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1sx2 h VAL 111 CO -0.02 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1sx2 h ALA 112 N 1.01 1.00 0.00 1.67 0.00 -0.78 -0.98 119.26 121.18 1sx2 h ALA 112 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sx2 h ALA 112 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sx2 h ALA 112 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1sx2 n GLY 113 N -1.09 -1.44 2.25 0.00 0.00 -0.89 -4.23 105.19 99.79 1sx2 n GLY 113 Ca -0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1sx2 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sx2 n PHE 114 N -1.83 1.96 -0.14 1.61 3.01 -0.37 -4.73 117.46 116.97 1sx2 n PHE 114 Ca 0.05 -2.79 -0.05 0.00 1.01 0.00 0.00 57.45 55.67 1sx2 n PHE 114 Cb 0.32 -2.32 0.04 0.00 -0.01 0.00 0.00 39.48 37.51 1sx2 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1sx2 h THR 115 N 2.80 0.90 -0.33 4.37 2.02 -1.84 0.02 112.91 120.85 1sx2 h THR 115 Ca 0.75 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 67.66 1sx2 h THR 115 Cb 0.51 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1sx2 h THR 115 CO 1.49 0.07 -0.35 0.78 0.37 0.00 0.00 175.52 177.88 1sx2 h ASN 116 N 0.37 0.88 -0.56 4.18 2.35 -1.96 -1.63 115.58 119.20 1sx2 h ASN 116 Ca 0.20 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.44 1sx2 h ASN 116 Cb 0.17 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1sx2 h ASN 116 CO -0.18 1.17 0.21 0.28 -1.65 0.00 0.00 177.43 177.26 1sx2 h SER 117 N 0.60 0.79 -0.78 5.81 0.02 -1.82 -1.99 113.55 116.17 1sx2 h SER 117 Ca 0.05 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1sx2 h SER 117 Cb 0.93 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1sx2 h SER 117 CO 0.09 0.76 0.50 -0.07 -1.14 0.00 0.00 176.83 176.96 1sx2 h LEU 118 N 0.77 0.82 -0.36 5.07 3.38 -0.90 -0.15 115.31 123.95 1sx2 h LEU 118 Ca 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1sx2 h LEU 118 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1sx2 h LEU 118 CO -0.01 0.57 0.20 -0.09 0.09 0.00 0.00 178.44 179.19 1sx2 h ARG 119 N 0.97 0.49 -0.88 1.13 2.43 -1.03 -0.40 114.38 117.10 1sx2 h ARG 119 Ca 0.31 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1sx2 h ARG 119 Cb 0.02 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1sx2 h ARG 119 CO -0.11 0.40 0.49 0.52 -1.51 0.00 0.00 179.97 179.76 1sx2 h MET 120 N 0.46 1.22 -0.44 0.20 2.86 -0.95 -0.52 114.93 117.76 1sx2 h MET 120 Ca 0.13 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1sx2 h MET 120 Cb 0.05 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1sx2 h MET 120 CO -0.02 0.88 0.23 -0.07 1.06 0.00 0.00 176.91 178.99 1sx2 h LEU 121 N 1.22 0.56 -0.74 1.22 3.38 -0.82 -0.86 115.31 119.28 1sx2 h LEU 121 Ca 0.31 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1sx2 h LEU 121 Cb 0.01 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 1sx2 h LEU 121 CO -0.05 0.50 0.23 -0.61 0.09 0.00 0.00 178.44 178.60 1sx2 h GLN 122 N 0.57 0.33 -0.00 1.13 5.75 -0.50 -0.84 115.11 121.55 1sx2 h GLN 122 Ca 0.15 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1sx2 h GLN 122 Cb 0.08 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1sx2 h GLN 122 CO -0.02 0.22 -0.01 1.04 -2.65 0.00 0.00 178.83 177.41 1sx2 n GLN 123 N -5.09 0.54 -3.94 1.69 6.02 -0.25 -4.92 117.38 111.42 1sx2 n GLN 123 Ca 0.14 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 1sx2 n GLN 123 Cb 0.44 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.21 1sx2 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1sx2 n LYS 124 N -1.22 -4.88 -2.93 -1.09 5.02 -0.32 -4.92 118.16 107.82 1sx2 n LYS 124 Ca 0.16 0.55 -0.44 0.00 -2.02 0.00 0.00 58.31 56.56 1sx2 n LYS 124 Cb 0.22 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 1sx2 n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sx2 n ARG 125 N -4.56 3.66 -0.10 1.97 1.74 -0.40 -4.90 116.66 114.06 1sx2 n ARG 125 Ca -0.03 -4.06 -0.12 0.00 -0.77 0.00 0.00 57.85 52.88 1sx2 n ARG 125 Cb 0.55 -2.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.15 1sx2 n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1sx2 h TRP 126 N 6.42 0.65 -0.33 -1.55 -0.00 -1.88 0.41 115.95 119.67 1sx2 h TRP 126 Ca 0.28 -0.15 -0.14 0.00 -0.00 0.00 0.00 58.89 58.88 1sx2 h TRP 126 Cb 0.78 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.77 1sx2 h TRP 126 CO 1.03 0.79 -0.35 -0.44 -0.00 0.00 0.00 178.44 179.47 1sx2 h ASP 127 N 0.33 0.80 -0.55 -3.49 5.19 -1.90 -1.38 116.42 115.41 1sx2 h ASP 127 Ca 0.07 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1sx2 h ASP 127 Cb 0.60 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 1sx2 h ASP 127 CO 0.03 1.07 0.27 -0.33 -3.12 0.00 0.00 179.24 177.17 1sx2 h GLU 128 N 0.63 0.78 -0.50 3.56 5.08 -1.93 -1.71 114.58 120.48 1sx2 h GLU 128 Ca 0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sx2 h GLU 128 Cb 0.89 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1sx2 h GLU 128 CO 0.08 0.63 0.32 0.00 -1.00 0.00 0.00 179.01 179.05 1sx2 h ALA 129 N 1.11 0.64 -0.70 3.43 0.00 -0.77 -1.30 119.26 121.67 1sx2 h ALA 129 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sx2 h ALA 129 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sx2 h ALA 129 CO -0.03 0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.79 1sx2 h ALA 130 N 1.17 0.89 -0.52 0.00 0.00 -0.94 0.74 119.26 120.60 1sx2 h ALA 130 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1sx2 h ALA 130 Cb -0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1sx2 h ALA 130 CO -0.04 0.31 0.34 0.28 0.00 0.00 0.00 179.25 180.14 1sx2 h VAL 131 N 0.95 1.12 -0.26 0.00 2.07 -0.99 -3.06 116.25 116.07 1sx2 h VAL 131 Ca 0.26 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1sx2 h VAL 131 Cb -0.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1sx2 h VAL 131 CO -0.06 0.13 -0.44 -1.13 0.02 0.00 0.00 177.57 176.09 1sx2 h ASN 132 N 0.69 0.71 -0.43 0.57 -0.73 -0.64 -3.09 115.58 112.67 1sx2 h ASN 132 Ca 0.20 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1sx2 h ASN 132 Cb -0.06 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 1sx2 h ASN 132 CO -0.05 1.05 0.28 -0.07 -0.37 0.00 0.00 177.43 178.27 1sx2 h LEU 133 N 0.53 0.49 -0.66 0.34 3.38 -0.78 -2.09 115.31 116.53 1sx2 h LEU 133 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sx2 h LEU 133 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1sx2 h LEU 133 CO 0.09 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1sx2 h ALA 134 N 1.73 1.00 -0.65 1.53 0.00 -1.44 -3.37 119.26 118.06 1sx2 h ALA 134 Ca 0.16 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.33 1sx2 h ALA 134 Cb -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 1sx2 h ALA 134 CO -0.03 0.00 2.36 1.63 0.00 0.00 0.00 179.25 183.21 1sx2 n LYS 135 N -2.52 3.35 -3.59 0.00 5.02 -0.79 -4.64 118.16 115.00 1sx2 n LYS 135 Ca 0.03 -3.24 -0.15 0.00 -2.02 0.00 0.00 58.31 52.93 1sx2 n LYS 135 Cb 0.32 -3.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.21 1sx2 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sx2 s SER 136 N 1.78 -0.48 0.25 4.39 1.04 -1.26 -5.01 113.70 114.40 1sx2 s SER 136 Ca 0.42 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 57.19 1sx2 s SER 136 Cb 0.10 0.47 0.40 0.00 0.10 0.00 0.00 66.02 67.10 1sx2 s SER 136 CO -0.02 -0.62 1.81 -0.09 0.98 0.00 0.00 173.24 175.30 1sx2 h ARG 137 N 3.09 0.77 -0.55 4.02 2.43 -1.93 -1.97 114.38 120.24 1sx2 h ARG 137 Ca -0.29 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1sx2 h ARG 137 Cb 1.18 -0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.45 1sx2 h ARG 137 CO 0.40 0.51 -0.45 2.35 -1.51 0.00 0.00 179.97 181.27 1sx2 h TRP 138 N 0.79 -1.31 -0.19 2.20 7.01 -1.94 0.75 115.95 123.25 1sx2 h TRP 138 Ca 0.40 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.47 1sx2 h TRP 138 Cb 0.37 0.65 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 1sx2 h TRP 138 CO -0.06 -0.43 0.06 -0.92 -2.79 0.00 0.00 178.44 174.30 1sx2 h TYR 139 N -0.25 0.30 -0.96 2.65 3.20 -1.77 -1.31 116.97 118.84 1sx2 h TYR 139 Ca 0.17 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1sx2 h TYR 139 Cb 0.57 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1sx2 h TYR 139 CO -0.70 0.39 0.63 -0.91 -1.64 0.00 0.00 178.16 175.93 1sx2 h ASN 140 N 0.13 1.10 0.88 -2.11 2.35 -0.73 -1.66 115.58 115.54 1sx2 h ASN 140 Ca 0.06 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1sx2 h ASN 140 Cb 0.22 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1sx2 h ASN 140 CO -0.00 0.80 -1.14 1.56 -1.65 0.00 0.00 177.43 176.99 1sx2 h GLN 141 N 1.30 0.03 -2.21 0.81 1.08 -0.72 -3.38 115.11 112.02 1sx2 h GLN 141 Ca 0.35 -0.05 -0.58 0.00 -1.45 0.00 0.00 58.65 56.92 1sx2 h GLN 141 Cb -0.15 0.02 -0.40 0.00 -0.05 0.00 0.00 27.48 26.90 1sx2 h GLN 141 CO -0.08 0.95 -0.90 0.25 -0.95 0.00 0.00 178.83 178.11 1sx2 n THR 142 N -3.32 0.29 -0.01 -0.54 -2.24 -0.51 -4.99 114.28 102.96 1sx2 n THR 142 Ca -0.04 -4.34 -0.11 0.00 -2.27 0.00 0.00 64.05 57.29 1sx2 n THR 142 Cb 0.97 -1.97 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1sx2 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1sx2 h PRO 143 N 4.42 0.61 -0.32 -0.78 0.13 -1.49 -0.74 132.00 133.83 1sx2 h PRO 143 Ca 0.14 -0.41 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 1sx2 h PRO 143 Cb 0.81 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1sx2 h PRO 143 CO 0.58 1.03 -0.41 -0.91 -0.23 0.00 0.00 178.00 178.05 1sx2 h ASN 144 N 0.46 0.85 -0.29 1.44 -0.26 -1.94 0.98 115.58 116.82 1sx2 h ASN 144 Ca -0.00 -0.40 -0.07 0.00 -0.56 0.00 0.00 56.30 55.27 1sx2 h ASN 144 Cb 1.16 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.17 1sx2 h ASN 144 CO 0.12 1.15 -0.09 -0.09 -1.06 0.00 0.00 177.43 177.46 1sx2 h ARG 145 N 0.65 0.57 -0.98 0.81 2.43 -1.95 -2.37 114.38 113.54 1sx2 h ARG 145 Ca 0.05 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1sx2 h ARG 145 Cb 0.98 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 1sx2 h ARG 145 CO 0.09 0.79 0.65 0.00 -1.51 0.00 0.00 179.97 179.99 1sx2 h ALA 146 N 0.77 1.24 -0.69 2.80 0.00 -1.05 -1.46 119.26 120.87 1sx2 h ALA 146 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1sx2 h ALA 146 Cb 0.59 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1sx2 h ALA 146 CO 0.03 0.63 0.37 0.87 0.00 0.00 0.00 179.25 181.15 1sx2 h LYS 147 N 1.32 0.64 -0.31 0.00 1.57 -0.64 0.21 116.57 119.36 1sx2 h LYS 147 Ca 0.36 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1sx2 h LYS 147 Cb -0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1sx2 h LYS 147 CO -0.08 0.42 0.15 0.00 -0.57 0.00 0.00 179.45 179.38 1sx2 h ARG 148 N 0.66 0.44 -0.33 3.15 3.08 -0.80 -0.01 114.38 120.58 1sx2 h ARG 148 Ca 0.33 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1sx2 h ARG 148 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1sx2 h ARG 148 CO -0.22 0.41 0.18 0.28 -1.07 0.00 0.00 179.97 179.54 1sx2 h VAL 149 N 0.37 1.14 -0.76 2.04 2.07 -0.90 -2.16 116.25 118.05 1sx2 h VAL 149 Ca 0.11 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1sx2 h VAL 149 Cb 0.11 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1sx2 h VAL 149 CO -0.01 0.15 0.38 0.40 0.02 0.00 0.00 177.57 178.50 1sx2 h ILE 150 N 0.41 1.24 -0.58 4.57 2.04 -0.48 -1.20 117.51 123.51 1sx2 h ILE 150 Ca 0.12 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1sx2 h ILE 150 Cb 0.07 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1sx2 h ILE 150 CO -0.02 0.28 0.35 0.74 0.00 0.00 0.00 178.15 179.50 1sx2 h THR 151 N 1.07 1.16 -0.22 -0.27 2.02 -0.84 0.19 112.91 116.02 1sx2 h THR 151 Ca 0.26 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1sx2 h THR 151 Cb 0.10 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1sx2 h THR 151 CO -0.04 0.17 0.04 0.74 0.37 0.00 0.00 175.52 176.81 1sx2 h THR 152 N 0.80 1.22 -0.75 3.16 2.02 -0.70 -0.85 112.91 117.79 1sx2 h THR 152 Ca 0.21 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1sx2 h THR 152 Cb -0.03 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1sx2 h THR 152 CO -0.04 0.23 0.50 -0.26 0.37 0.00 0.00 175.52 176.31 1sx2 h PHE 153 N 0.17 0.94 -0.49 3.16 0.04 -0.70 0.46 116.94 120.52 1sx2 h PHE 153 Ca 0.07 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 1sx2 h PHE 153 Cb 0.30 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1sx2 h PHE 153 CO 0.02 0.59 -0.20 -0.09 -0.60 0.00 0.00 178.31 178.02 1sx2 h ARG 154 N 1.01 1.00 0.00 1.51 2.43 -0.23 -3.36 114.38 116.74 1sx2 h ARG 154 Ca 0.28 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 1sx2 h ARG 154 Cb -0.11 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1sx2 h ARG 154 CO -0.06 1.10 -1.92 0.25 -1.51 0.00 0.00 179.97 177.82 1sx2 n THR 155 N -4.11 0.49 -1.98 0.20 -2.24 -0.36 -4.75 114.28 101.53 1sx2 n THR 155 Ca 0.00 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 1sx2 n THR 155 Cb 0.45 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1sx2 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sx2 n GLY 156 N 1.75 0.47 3.35 3.38 0.00 0.15 -5.00 105.19 109.30 1sx2 n GLY 156 Ca -0.13 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1sx2 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sx2 s THR 157 N -2.73 1.31 -0.53 2.61 -4.23 -1.26 -4.80 115.64 106.01 1sx2 s THR 157 Ca 0.00 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1sx2 s THR 157 Cb 0.00 -2.30 0.58 0.00 1.34 0.00 0.00 72.50 72.12 1sx2 s THR 157 CO 0.00 -0.39 1.39 0.79 -0.54 0.00 0.00 174.62 175.87 1sx2 n TRP 158 N -0.44 1.46 -0.13 3.99 7.02 -1.26 -4.46 117.44 123.61 1sx2 n TRP 158 Ca -0.06 -0.51 0.11 0.00 -1.02 0.00 0.00 57.50 56.02 1sx2 n TRP 158 Cb 0.63 -0.38 0.46 0.00 -2.42 0.00 0.00 31.31 29.60 1sx2 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1sx2 h ASP 159 N 2.86 0.46 0.80 -0.99 3.32 -1.94 0.27 116.42 121.20 1sx2 h ASP 159 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sx2 h ASP 159 Cb 1.52 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1sx2 h ASP 159 CO 0.34 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1sx2 n ALA 160 N -2.49 2.38 0.11 3.45 0.00 -1.26 -3.67 120.51 119.02 1sx2 n ALA 160 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1sx2 n ALA 160 Cb 0.36 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1sx2 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sx2 n TYR 161 N -1.40 0.00 -2.68 0.00 4.01 -0.04 -4.93 117.16 112.12 1sx2 n TYR 161 Ca 0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.50 1sx2 n TYR 161 Cb 0.29 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1sx2 n TYR 161 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1sx2 s LYS 162 N -1.92 4.10 0.00 -0.72 -0.14 -0.49 -1.16 119.74 119.41 1sx2 s LYS 162 Ca -0.00 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 1sx2 s LYS 162 Cb 0.03 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1sx2 s LYS 162 CO 0.20 -0.16 0.16 -1.71 -0.76 0.00 0.00 175.35 173.08 1sx2 n ASN 163 N -0.58 -0.31 -0.37 2.83 4.05 -1.26 -4.96 115.26 114.66 1sx2 n ASN 163 Ca 0.07 -0.19 0.14 0.00 0.45 0.00 0.00 54.58 55.06 1sx2 n ASN 163 Cb 0.53 -0.05 0.63 0.00 1.23 0.00 0.00 39.78 42.11 1sx2 n ASN 163 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10