#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s GLN 2 N 0.00 1.51 -0.10 2.12 1.03 -1.26 -0.97 119.66 121.99 3i56 s GLN 2 Ca 0.00 -1.29 0.01 0.00 0.04 0.00 0.00 55.36 54.13 3i56 s GLN 2 Cb 0.00 -1.92 0.02 0.00 0.03 0.00 0.00 33.01 31.14 3i56 s GLN 2 CO 0.00 0.47 -0.13 0.00 -2.54 0.00 0.00 175.29 173.08 3i56 s ALA 3 N -0.99 1.54 -0.34 2.60 0.00 -0.06 -4.69 121.76 119.81 3i56 s ALA 3 Ca 0.13 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 3i56 s ALA 3 Cb -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.25 3i56 s ALA 3 CO 0.05 -0.09 1.08 0.99 0.00 0.00 0.00 175.76 177.79 3i56 s THR 4 N 1.03 4.47 0.29 0.00 2.01 -1.26 -2.37 115.64 119.81 3i56 s THR 4 Ca -0.07 1.66 -0.27 0.00 0.31 0.00 0.00 61.69 63.32 3i56 s THR 4 Cb -0.15 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.83 3i56 s THR 4 CO -0.01 -0.55 0.93 -0.63 -0.69 0.00 0.00 174.62 173.67 3i56 s ILE 5 N 3.75 4.18 0.01 1.82 1.01 -0.90 -4.22 121.20 126.85 3i56 s ILE 5 Ca 0.45 1.89 0.08 0.00 0.00 0.00 0.00 60.65 63.07 3i56 s ILE 5 Cb -0.12 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 3i56 s ILE 5 CO 0.17 0.28 -0.23 -0.31 0.00 0.00 0.00 174.94 174.85 3i56 s TYR 6 N -1.45 2.05 0.73 3.97 1.51 -0.37 -1.58 117.35 122.21 3i56 s TYR 6 Ca 0.46 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3i56 s TYR 6 Cb -0.21 -1.27 0.12 0.00 -0.11 0.00 0.00 41.96 40.49 3i56 s TYR 6 CO 0.26 0.04 1.02 0.16 -1.11 0.00 0.00 175.55 175.92 3i56 s ASP 7 N -0.88 4.35 0.00 2.29 1.47 -0.99 -1.06 116.67 121.84 3i56 s ASP 7 Ca 0.09 -0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.74 3i56 s ASP 7 Cb -0.09 -0.35 0.02 0.00 -0.34 0.00 0.00 42.92 42.16 3i56 s ASP 7 CO 0.01 -1.86 0.69 0.18 0.68 0.00 0.00 175.17 174.86 3i56 n LEU 8 N -2.93 0.00 -0.00 2.11 4.77 -1.26 -0.59 117.00 119.10 3i56 n LEU 8 Ca 0.13 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.35 3i56 n LEU 8 Cb 0.60 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3i56 n LEU 8 CO 0.45 -0.17 -0.31 0.47 -1.33 0.00 0.00 177.39 176.50 3i56 n ASP 9 N -1.17 1.10 -0.25 -1.43 8.00 -1.26 -4.71 116.55 116.83 3i56 n ASP 9 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3i56 n ASP 9 Cb 0.00 1.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 3i56 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 10 N 1.48 0.99 3.43 0.44 0.00 0.24 -4.87 105.19 106.89 3i56 n GLY 10 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3i56 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i56 s ASN 11 N -2.55 3.59 -0.73 1.61 0.01 -1.26 -4.87 114.94 110.74 3i56 s ASN 11 Ca 0.00 -0.54 -0.26 0.00 -0.71 0.00 0.00 52.86 51.36 3i56 s ASN 11 Cb 0.00 -0.46 -0.10 0.00 0.41 0.00 0.00 41.25 41.10 3i56 s ASN 11 CO 0.00 0.23 2.28 0.42 -1.51 0.00 0.00 177.10 178.52 3i56 s THR 12 N -0.95 3.12 -0.74 1.60 -4.23 -1.26 -2.35 115.64 110.82 3i56 s THR 12 Ca 0.14 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 3i56 s THR 12 Cb -0.10 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.66 3i56 s THR 12 CO 0.05 -0.26 2.36 -0.67 -0.54 0.00 0.00 174.62 175.56 3i56 n ASP 13 N 16.75 7.11 0.00 3.99 -0.08 -0.61 -5.00 116.55 138.72 3i56 n ASP 13 Ca 0.41 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 3i56 n ASP 13 Cb 0.47 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.76 3i56 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i56 n GLY 14 N 0.29 -1.82 3.64 0.27 0.00 -1.26 -4.77 105.19 101.54 3i56 n GLY 14 Ca 0.52 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 3i56 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i56 s GLU 15 N 0.00 0.54 0.26 1.61 -1.05 -1.26 -2.12 118.70 116.68 3i56 s GLU 15 Ca 0.00 0.95 0.09 0.00 -0.15 0.00 0.00 54.97 55.86 3i56 s GLU 15 Cb 0.00 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 3i56 s GLU 15 CO 0.00 -0.12 0.06 0.08 0.95 0.00 0.00 175.26 176.23 3i56 s VAL 16 N 1.56 3.76 0.31 1.83 1.01 -1.00 -4.90 120.40 122.97 3i56 s VAL 16 Ca -0.09 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 3i56 s VAL 16 Cb -0.05 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.20 3i56 s VAL 16 CO -0.17 -0.37 1.53 -1.81 0.00 0.00 0.00 175.10 174.28 3i56 s ASP 17 N -3.73 6.43 -0.28 3.32 1.01 -1.26 -0.89 116.67 121.27 3i56 s ASP 17 Ca 0.32 2.91 -0.25 0.00 0.71 0.00 0.00 52.55 56.24 3i56 s ASP 17 Cb -0.07 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3i56 s ASP 17 CO 0.21 -0.85 0.88 -0.22 0.21 0.00 0.00 175.17 175.41 3i56 s LEU 18 N -0.89 4.05 0.73 1.23 2.96 -0.14 -4.75 118.68 121.87 3i56 s LEU 18 Ca 0.60 0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 55.26 3i56 s LEU 18 Cb -0.46 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3i56 s LEU 18 CO 0.51 -0.65 0.78 -0.81 -1.32 0.00 0.00 176.35 174.85 3i56 n PRO 19 N 6.30 0.39 0.33 0.98 -0.04 -1.26 -3.90 135.00 137.80 3i56 n PRO 19 Ca 0.07 0.18 0.17 0.00 -0.04 0.00 0.00 63.50 63.88 3i56 n PRO 19 Cb 0.48 -2.05 0.93 0.00 -0.04 0.00 0.00 33.50 32.81 3i56 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i56 h ASP 20 N -0.35 0.00 1.01 3.54 3.32 -1.95 -2.19 116.42 119.80 3i56 h ASP 20 Ca -0.46 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3i56 h ASP 20 Cb 1.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3i56 h ASP 20 CO 0.45 0.00 -0.07 -0.37 -1.72 0.00 0.00 179.24 177.52 3i56 h VAL 21 N 0.00 0.19 -0.00 -1.35 -1.51 -1.91 -2.57 116.25 109.10 3i56 h VAL 21 Ca 0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3i56 h VAL 21 Cb 0.44 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3i56 h VAL 21 CO 0.00 0.07 0.00 0.49 -1.23 0.00 0.00 177.57 176.90 3i56 n PHE 22 N -3.20 0.00 0.33 5.19 3.01 -0.82 -2.51 117.46 119.46 3i56 n PHE 22 Ca 0.01 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 3i56 n PHE 22 Cb 0.35 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.92 3i56 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i56 n GLU 23 N -0.89 1.55 -2.23 -1.08 1.02 -0.97 -4.73 120.64 113.31 3i56 n GLU 23 Ca 0.23 -1.61 -0.41 0.00 -0.02 0.00 0.00 57.16 55.35 3i56 n GLU 23 Cb 0.13 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3i56 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i56 s THR 24 N -1.11 3.26 0.29 2.62 2.01 -1.04 -4.95 115.64 116.72 3i56 s THR 24 Ca 0.20 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 3i56 s THR 24 Cb 0.13 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.87 3i56 s THR 24 CO 0.18 0.15 1.53 -2.16 -0.69 0.00 0.00 174.62 173.63 3i56 s PRO 25 N 0.00 4.17 0.04 4.92 0.04 -1.26 -4.76 135.00 138.14 3i56 s PRO 25 Ca 0.57 2.49 -0.30 0.00 0.04 0.00 0.00 61.00 63.79 3i56 s PRO 25 Cb -0.36 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 3i56 s PRO 25 CO 0.37 -0.54 1.61 0.08 0.04 0.00 0.00 177.00 178.56 3i56 s VAL 26 N -0.20 3.26 -0.61 -0.36 1.01 -1.26 -4.75 120.40 117.49 3i56 s VAL 26 Ca 0.60 0.64 0.05 0.00 0.00 0.00 0.00 61.98 63.27 3i56 s VAL 26 Cb -0.46 -3.41 0.19 0.00 0.00 0.00 0.00 36.38 32.70 3i56 s VAL 26 CO 0.49 -0.01 0.50 -1.14 0.00 0.00 0.00 175.10 174.93 3i56 n ARG 27 N 5.82 1.48 -0.29 2.72 3.00 -1.26 -4.98 116.66 123.16 3i56 n ARG 27 Ca 0.16 -4.13 0.26 0.00 -0.00 0.00 0.00 57.85 54.13 3i56 n ARG 27 Cb 0.41 -2.08 0.60 0.00 0.00 0.00 0.00 32.46 31.40 3i56 n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i56 h SER 28 N 5.19 0.26 0.13 6.15 4.64 -1.95 -2.09 113.55 125.89 3i56 h SER 28 Ca 0.18 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3i56 h SER 28 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3i56 h SER 28 CO 0.64 0.06 -0.06 -2.24 -0.87 0.00 0.00 176.83 174.35 3i56 h ASP 29 N 0.23 -0.15 0.06 4.97 2.03 -1.93 -1.56 116.42 120.06 3i56 h ASP 29 Ca 0.54 -0.34 -0.05 0.00 -0.73 0.00 0.00 57.03 56.45 3i56 h ASP 29 Cb 1.68 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 40.21 3i56 h ASP 29 CO -0.16 0.29 -0.16 -0.07 -1.03 0.00 0.00 179.24 178.11 3i56 h LEU 30 N -0.63 0.20 -0.33 0.15 3.38 -1.82 -0.99 115.31 115.27 3i56 h LEU 30 Ca -0.02 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3i56 h LEU 30 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i56 h LEU 30 CO 0.03 0.38 -0.23 0.40 0.09 0.00 0.00 178.44 179.11 3i56 h ILE 31 N 0.20 1.29 -0.00 1.22 2.04 -1.43 -2.54 117.51 118.30 3i56 h ILE 31 Ca 0.04 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 3i56 h ILE 31 Cb 0.41 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3i56 h ILE 31 CO 0.03 0.45 -0.30 1.23 0.00 0.00 0.00 178.15 179.55 3i56 h GLY 32 N 0.50 0.01 1.28 5.37 0.00 -0.45 -2.05 103.07 107.73 3i56 h GLY 32 Ca 0.06 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 3i56 h GLY 32 CO 0.06 0.00 -0.66 1.70 0.00 0.00 0.00 176.54 177.64 3i56 h LYS 33 N 0.00 0.73 -0.06 4.80 3.64 -1.04 -1.86 116.57 122.78 3i56 h LYS 33 Ca -0.00 -0.53 -0.14 0.00 -1.27 0.00 0.00 60.65 58.71 3i56 h LYS 33 Cb 0.53 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3i56 h LYS 33 CO 0.04 1.15 -0.58 0.00 -2.27 0.00 0.00 179.45 177.79 3i56 h ALA 34 N 0.72 0.92 0.09 5.00 0.00 -1.12 -1.28 119.26 123.59 3i56 h ALA 34 Ca -0.02 -0.53 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 3i56 h ALA 34 Cb 1.27 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.99 3i56 h ALA 34 CO 0.13 0.71 -1.17 0.28 0.00 0.00 0.00 179.25 179.21 3i56 h VAL 35 N 0.14 1.36 -0.56 0.00 2.07 -1.38 -2.19 116.25 115.68 3i56 h VAL 35 Ca -0.00 -2.59 -0.08 0.00 0.82 0.00 0.00 66.70 64.84 3i56 h VAL 35 Cb 1.06 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 3i56 h VAL 35 CO 0.09 0.78 0.03 -0.09 0.02 0.00 0.00 177.57 178.40 3i56 h ARG 36 N 0.22 0.95 -0.18 1.57 2.43 -1.24 -0.81 114.38 117.32 3i56 h ARG 36 Ca -0.15 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.71 3i56 h ARG 36 Cb 1.84 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.29 3i56 h ARG 36 CO 0.21 0.91 -0.09 0.00 -1.51 0.00 0.00 179.97 179.49 3i56 h ALA 37 N 1.15 0.25 -0.80 2.80 0.00 -1.25 -2.34 119.26 119.07 3i56 h ALA 37 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i56 h ALA 37 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i56 h ALA 37 CO 0.02 0.08 0.31 0.00 0.00 0.00 0.00 179.25 179.66 3i56 h ALA 38 N 0.68 1.04 0.00 0.00 0.00 -1.18 -1.05 119.26 118.75 3i56 h ALA 38 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3i56 h ALA 38 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i56 h ALA 38 CO 0.03 0.67 -0.44 1.96 0.00 0.00 0.00 179.25 181.47 3i56 h GLN 39 N 1.16 0.00 0.09 0.00 4.20 -1.13 -3.13 115.11 116.31 3i56 h GLN 39 Ca 0.26 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.68 3i56 h GLN 39 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3i56 h GLN 39 CO -0.02 0.44 -1.54 0.00 -0.67 0.00 0.00 178.83 177.04 3i56 h ALA 40 N 1.56 0.36 0.00 3.87 0.00 -1.08 -3.35 119.26 120.62 3i56 h ALA 40 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 3i56 h ALA 40 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i56 h ALA 40 CO 0.06 1.22 0.00 -0.91 0.00 0.00 0.00 179.25 179.62 3i56 h ASN 41 N 0.05 0.00 -0.38 0.00 2.35 -1.14 -2.01 115.58 114.46 3i56 h ASN 41 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3i56 h ASN 41 Cb 1.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.36 3i56 h ASN 41 CO 0.14 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.81 3i56 n ARG 42 N -2.51 2.38 -2.86 0.81 1.85 -1.23 -4.93 116.66 110.17 3i56 n ARG 42 Ca -0.00 -2.08 -0.41 0.00 -1.00 0.00 0.00 57.85 54.35 3i56 n ARG 42 Cb 0.14 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 3i56 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3i56 s LYS 43 N -1.51 4.50 0.38 2.89 3.01 -0.76 -5.05 119.74 123.20 3i56 s LYS 43 Ca 0.38 1.18 -0.23 0.00 -1.01 0.00 0.00 55.97 56.29 3i56 s LYS 43 Cb 0.22 -3.46 -0.10 0.00 -1.01 0.00 0.00 37.83 33.48 3i56 s LYS 43 CO 0.30 -0.01 0.94 -0.65 0.51 0.00 0.00 175.35 176.44 3i56 s GLN 44 N 0.96 4.38 -0.03 1.68 -0.21 -1.26 -4.96 119.66 120.22 3i56 s GLN 44 Ca 0.45 1.19 -0.30 0.00 0.02 0.00 0.00 55.36 56.73 3i56 s GLN 44 Cb -0.19 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 3i56 s GLN 44 CO 0.23 0.12 1.11 -0.51 -2.12 0.00 0.00 175.29 174.12 3i56 s ASP 45 N -1.93 7.17 0.00 5.90 -0.00 -1.26 -5.03 116.67 121.52 3i56 s ASP 45 Ca 0.56 1.76 0.00 0.00 -0.00 0.00 0.00 52.55 54.87 3i56 s ASP 45 Cb -0.13 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3i56 s ASP 45 CO 0.18 -0.45 0.00 0.00 -0.00 0.00 0.00 175.17 174.89 3i56 n TYR 46 N 4.59 0.00 0.00 4.23 0.18 -1.26 -4.97 117.16 119.93 3i56 n TYR 46 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 3i56 n TYR 46 Cb 0.48 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.44 3i56 n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i56 n GLY 47 N 5.00 4.10 3.83 -7.48 0.00 -1.26 -2.71 105.19 106.66 3i56 n GLY 47 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 3i56 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i56 s SER 48 N 0.00 3.76 0.23 1.61 1.04 -1.19 -4.90 113.70 114.25 3i56 s SER 48 Ca 0.00 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 3i56 s SER 48 Cb 0.00 -1.39 -0.10 0.00 0.10 0.00 0.00 66.02 64.63 3i56 s SER 48 CO 0.00 -2.38 1.49 -0.62 0.98 0.00 0.00 173.24 172.71 3i56 s ASP 49 N -4.24 6.60 0.53 7.02 -1.08 -1.26 -4.91 116.67 119.32 3i56 s ASP 49 Ca 0.64 2.69 0.21 0.00 -0.52 0.00 0.00 52.55 55.57 3i56 s ASP 49 Cb -0.13 -2.62 1.40 0.00 -1.46 0.00 0.00 42.92 40.12 3i56 s ASP 49 CO 0.52 -0.76 2.14 -0.33 0.52 0.00 0.00 175.17 177.26 3i56 h GLU 50 N 5.48 0.00 -0.42 4.34 4.39 -1.98 -2.76 114.58 123.64 3i56 h GLU 50 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3i56 h GLU 50 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3i56 h GLU 50 CO 0.82 0.05 0.00 0.66 -1.16 0.00 0.00 179.01 179.38 3i56 n TYR 51 N -4.18 0.62 -1.90 4.33 4.02 -1.26 -4.94 117.16 113.85 3i56 n TYR 51 Ca -0.03 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.90 56.91 3i56 n TYR 51 Cb 0.14 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 3i56 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i56 s ALA 52 N -1.16 3.62 0.00 -0.72 0.00 -1.04 -1.31 121.76 121.14 3i56 s ALA 52 Ca 0.30 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3i56 s ALA 52 Cb 0.17 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3i56 s ALA 52 CO 0.18 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.94 3i56 n GLY 53 N 4.23 1.82 0.11 0.00 0.00 -1.26 -4.19 105.19 105.90 3i56 n GLY 53 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3i56 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i56 n LEU 54 N 0.00 1.08 -3.59 0.99 4.77 -0.43 -3.63 117.00 116.19 3i56 n LEU 54 Ca 0.00 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 3i56 n LEU 54 Cb 0.00 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3i56 n LEU 54 CO 0.00 0.24 2.60 0.54 -1.33 0.00 0.00 177.39 179.44 3i56 n ARG 55 N -1.16 3.74 -3.64 3.23 1.74 -1.22 -4.83 116.66 114.51 3i56 n ARG 55 Ca 0.06 -2.98 -0.15 0.00 -0.77 0.00 0.00 57.85 54.01 3i56 n ARG 55 Cb 0.36 -2.89 -0.08 0.00 -1.02 0.00 0.00 32.46 28.83 3i56 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i56 s THR 56 N 1.03 0.01 -1.07 0.55 -1.32 -1.26 -5.05 115.64 108.53 3i56 s THR 56 Ca 0.53 -0.07 0.12 0.00 -1.21 0.00 0.00 61.69 61.05 3i56 s THR 56 Cb 0.15 -0.84 0.51 0.00 -1.51 0.00 0.00 72.50 70.81 3i56 s THR 56 CO -0.06 -0.04 1.35 -0.81 -2.21 0.00 0.00 174.62 172.85 3i56 n PRO 57 N 2.00 3.08 -1.60 7.08 -0.04 -1.26 -4.99 135.00 139.27 3i56 n PRO 57 Ca -0.16 -2.01 -0.62 0.00 -0.04 0.00 0.00 63.50 60.67 3i56 n PRO 57 Cb 0.56 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 3i56 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i56 n ALA 58 N 0.63 -2.62 -2.44 0.55 0.00 -1.26 -5.00 120.51 110.38 3i56 n ALA 58 Ca 0.18 0.55 -0.26 0.00 0.00 0.00 0.00 53.44 53.91 3i56 n ALA 58 Cb 0.71 -1.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 3i56 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i56 s GLU 59 N 1.19 1.38 -0.05 0.00 0.41 -1.04 -4.70 118.70 115.89 3i56 s GLU 59 Ca 0.96 -1.39 -0.16 0.00 -0.41 0.00 0.00 54.97 53.97 3i56 s GLU 59 Cb -1.33 -1.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.25 3i56 s GLU 59 CO 0.66 0.39 0.43 0.45 -0.49 0.00 0.00 175.26 176.69 3i56 s SER 60 N -2.34 6.74 0.41 -0.19 0.15 -1.26 -0.87 113.70 116.35 3i56 s SER 60 Ca 0.15 0.88 0.29 0.00 0.70 0.00 0.00 55.95 57.98 3i56 s SER 60 Cb -0.09 -2.26 1.16 0.00 -1.71 0.00 0.00 66.02 63.13 3i56 s SER 60 CO 0.07 0.19 1.85 -0.26 1.20 0.00 0.00 173.24 176.29 3i56 h PHE 61 N 5.61 0.00 0.00 3.44 -1.00 -1.90 -3.49 116.94 119.59 3i56 h PHE 61 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 3i56 h PHE 61 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 3i56 h PHE 61 CO 0.67 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.78 3i56 n GLY 62 N 0.08 -0.92 3.84 -1.45 0.00 -1.26 -4.87 105.19 100.62 3i56 n GLY 62 Ca 0.01 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3i56 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i56 s SER 63 N -4.00 6.77 0.00 1.61 0.01 -1.26 -4.65 113.70 112.18 3i56 s SER 63 Ca 0.00 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.67 3i56 s SER 63 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3i56 s SER 63 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 3i56 n GLY 64 N -0.72 2.01 0.61 3.44 0.00 -1.26 -4.98 105.19 104.29 3i56 n GLY 64 Ca 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3i56 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i56 n ARG 65 N 0.00 2.68 -1.46 1.61 1.85 -1.26 -4.97 116.66 115.10 3i56 n ARG 65 Ca 0.00 -2.45 -0.11 0.00 -1.00 0.00 0.00 57.85 54.28 3i56 n ARG 65 Cb 0.00 -1.55 -0.04 0.00 -1.05 0.00 0.00 32.46 29.82 3i56 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i56 n GLY 66 N -0.36 1.03 3.56 2.89 0.00 -1.26 -5.02 105.19 106.03 3i56 n GLY 66 Ca 0.16 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3i56 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i56 s GLN 67 N -3.19 2.01 0.58 1.61 -0.21 -1.26 -5.12 119.66 114.08 3i56 s GLN 67 Ca 0.00 -1.48 -0.17 0.00 0.02 0.00 0.00 55.36 53.73 3i56 s GLN 67 Cb 0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3i56 s GLN 67 CO 0.00 0.38 1.07 0.00 -2.12 0.00 0.00 175.29 174.61 3i56 s ALA 68 N -2.17 2.73 -1.14 6.09 0.00 -1.26 -4.86 121.76 121.15 3i56 s ALA 68 Ca 0.29 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 3i56 s ALA 68 Cb -0.07 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3i56 s ALA 68 CO 0.17 -0.78 1.98 0.72 0.00 0.00 0.00 175.76 177.85 3i56 n HIS 69 N -1.84 3.01 -5.14 0.00 -0.00 -1.26 -4.88 115.22 105.10 3i56 n HIS 69 Ca 0.09 -2.26 -0.32 0.00 -0.00 0.00 0.00 57.72 55.24 3i56 n HIS 69 Cb 0.53 -2.29 -0.16 0.00 -0.00 0.00 0.00 29.99 28.06 3i56 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3i56 s VAL 70 N 5.53 2.28 0.06 1.59 1.01 -1.26 -5.02 120.40 124.59 3i56 s VAL 70 Ca 0.56 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3i56 s VAL 70 Cb 0.10 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 3i56 s VAL 70 CO 0.06 0.56 1.86 -2.84 0.00 0.00 0.00 175.10 174.74 3i56 s PRO 71 N 0.12 4.15 0.10 2.72 0.02 -1.26 -4.46 135.00 136.40 3i56 s PRO 71 Ca -0.11 2.55 0.09 0.00 0.02 0.00 0.00 61.00 63.55 3i56 s PRO 71 Cb -0.16 -3.89 -0.04 0.00 0.02 0.00 0.00 34.50 30.44 3i56 s PRO 71 CO 0.06 -0.89 -0.24 0.15 -0.33 0.00 0.00 177.00 175.76 3i56 s LYS 72 N 3.63 1.35 -0.05 5.54 1.02 -0.05 -0.60 119.74 130.58 3i56 s LYS 72 Ca 0.83 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 3i56 s LYS 72 Cb -0.43 -1.69 0.04 0.00 -0.52 0.00 0.00 37.83 35.23 3i56 s LYS 72 CO 0.38 0.41 0.09 -1.14 -0.92 0.00 0.00 175.35 174.17 3i56 s GLN 73 N -1.82 -0.04 -1.55 1.68 2.00 0.18 -2.50 119.66 117.61 3i56 s GLN 73 Ca 0.10 0.43 -0.04 0.00 -2.00 0.00 0.00 55.36 53.86 3i56 s GLN 73 Cb -0.10 -0.42 0.01 0.00 0.80 0.00 0.00 33.01 33.31 3i56 s GLN 73 CO 0.04 -0.31 0.40 -0.25 -0.50 0.00 0.00 175.29 174.67 3i56 n ASP 74 N 5.24 -5.67 0.00 6.67 8.00 -1.26 -2.00 116.55 127.53 3i56 n ASP 74 Ca -0.05 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3i56 n ASP 74 Cb 0.50 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 3i56 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i56 n GLY 75 N -1.31 2.55 3.85 0.44 0.00 -1.26 -5.01 105.19 104.45 3i56 n GLY 75 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3i56 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i56 s ARG 76 N -0.22 3.48 0.44 1.61 0.52 -0.85 -5.07 118.95 118.86 3i56 s ARG 76 Ca 0.00 -0.16 -0.23 0.00 -0.52 0.00 0.00 55.73 54.82 3i56 s ARG 76 Cb 0.00 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.21 3i56 s ARG 76 CO 0.00 0.73 1.08 0.00 0.02 0.00 0.00 175.30 177.12 3i56 s ALA 77 N -0.88 3.00 0.33 2.13 0.00 -1.26 -0.65 121.76 124.43 3i56 s ALA 77 Ca 0.14 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3i56 s ALA 77 Cb -0.12 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 3i56 s ALA 77 CO 0.03 -0.36 0.44 1.03 0.00 0.00 0.00 175.76 176.90 3i56 s ARG 78 N -2.73 1.82 0.00 0.00 0.52 0.23 -4.78 118.95 114.02 3i56 s ARG 78 Ca 0.62 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 3i56 s ARG 78 Cb -0.22 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.67 3i56 s ARG 78 CO 0.28 -0.74 0.00 -2.13 0.02 0.00 0.00 175.30 172.72 3i56 n ARG 79 N -0.54 0.00 -1.54 3.54 0.63 -1.24 -4.48 116.66 113.03 3i56 n ARG 79 Ca 0.01 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.44 3i56 n ARG 79 Cb 0.62 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.48 3i56 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i56 n VAL 80 N 0.00 0.83 -0.41 5.15 0.24 -1.26 0.10 118.33 122.99 3i56 n VAL 80 Ca 0.00 -0.21 0.35 0.00 -2.04 0.00 0.00 64.34 62.44 3i56 n VAL 80 Cb 0.00 -0.59 0.68 0.00 -1.47 0.00 0.00 33.84 32.46 3i56 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i56 h PRO 81 N 3.07 0.11 0.00 7.34 0.11 -1.91 -0.63 132.00 140.09 3i56 h PRO 81 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i56 h PRO 81 Cb 1.37 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3i56 h PRO 81 CO 0.68 0.07 0.00 -0.56 -0.21 0.00 0.00 178.00 177.98 3i56 h GLN 82 N 0.12 0.00 -6.39 1.05 -0.00 -1.90 -3.46 115.11 104.54 3i56 h GLN 82 Ca 0.69 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.79 3i56 h GLN 82 Cb 2.38 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 29.82 3i56 h GLN 82 CO -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 178.83 178.65 3i56 s ALA 83 N -3.33 3.53 0.26 0.06 0.00 -0.24 -5.03 121.76 117.01 3i56 s ALA 83 Ca 0.06 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3i56 s ALA 83 Cb 0.06 -2.65 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 3i56 s ALA 83 CO 0.63 0.40 1.41 0.08 0.00 0.00 0.00 175.76 178.29 3i56 s VAL 84 N -1.40 2.68 -0.18 0.00 1.01 -1.26 -1.28 120.40 119.97 3i56 s VAL 84 Ca 0.37 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3i56 s VAL 84 Cb -0.17 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3i56 s VAL 84 CO 0.20 0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.69 3i56 n LYS 85 N 2.03 -0.31 -2.43 2.72 4.76 -1.26 -4.73 118.16 118.94 3i56 n LYS 85 Ca 0.05 0.34 -0.23 0.00 -2.87 0.00 0.00 58.31 55.60 3i56 n LYS 85 Cb 0.41 -3.79 0.05 0.00 -1.84 0.00 0.00 35.03 29.86 3i56 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i56 s GLY 86 N -2.45 1.76 0.73 0.72 0.00 -0.40 -4.41 107.32 103.28 3i56 s GLY 86 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.45 3i56 s GLY 86 CO 0.00 -0.80 1.12 1.09 0.00 0.00 0.00 173.10 174.51 3i56 s ARG 87 N -4.99 2.35 -0.36 2.90 1.70 0.29 -4.69 118.95 116.15 3i56 s ARG 87 Ca 0.59 1.35 -0.22 0.00 -0.47 0.00 0.00 55.73 56.98 3i56 s ARG 87 Cb -0.10 -1.90 0.01 0.00 -0.57 0.00 0.00 34.95 32.38 3i56 s ARG 87 CO 0.41 -1.59 0.71 0.45 -1.08 0.00 0.00 175.30 174.20 3i56 s SER 88 N -2.86 6.50 0.11 -2.89 0.15 -1.26 -3.97 113.70 109.48 3i56 s SER 88 Ca 0.65 0.27 -0.24 0.00 0.70 0.00 0.00 55.95 57.34 3i56 s SER 88 Cb -0.20 -2.36 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 3i56 s SER 88 CO 0.49 -0.66 1.40 0.00 1.20 0.00 0.00 173.24 175.68 3i56 h ALA 89 N 8.45 -0.51 -2.92 5.45 0.00 -1.94 -3.31 119.26 124.48 3i56 h ALA 89 Ca -0.25 0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 3i56 h ALA 89 Cb 1.10 1.18 -0.40 0.00 0.00 0.00 0.00 17.79 19.67 3i56 h ALA 89 CO 0.87 -0.77 -0.74 -1.01 0.00 0.00 0.00 179.25 177.60 3i56 s HIS 90 N -4.89 2.26 0.74 0.00 3.76 -1.26 -5.13 115.29 110.78 3i56 s HIS 90 Ca -0.10 -2.66 -0.05 0.00 -0.15 0.00 0.00 55.06 52.10 3i56 s HIS 90 Cb 0.07 -1.96 0.12 0.00 1.11 0.00 0.00 32.58 31.92 3i56 s HIS 90 CO 0.46 -0.73 1.03 -1.25 -0.85 0.00 0.00 174.74 173.40 3i56 s PRO 91 N -0.16 1.68 0.48 8.40 0.04 -1.25 -5.07 135.00 139.12 3i56 s PRO 91 Ca 0.22 -0.78 -0.21 0.00 0.04 0.00 0.00 61.00 60.27 3i56 s PRO 91 Cb -0.15 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3i56 s PRO 91 CO -0.07 -1.51 1.08 -2.14 0.04 0.00 0.00 177.00 174.40 3i56 s PRO 92 N -5.26 3.76 0.07 0.56 0.02 -1.26 -4.98 135.00 127.91 3i56 s PRO 92 Ca 0.66 1.49 0.07 0.00 0.02 0.00 0.00 61.00 63.24 3i56 s PRO 92 Cb -0.07 -2.19 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 3i56 s PRO 92 CO 0.45 -0.49 -0.19 0.15 -0.33 0.00 0.00 177.00 176.59 3i56 s LYS 93 N -3.05 1.17 0.21 5.54 1.02 -1.26 -3.17 119.74 120.20 3i56 s LYS 93 Ca 0.66 -1.01 0.07 0.00 0.02 0.00 0.00 55.97 55.72 3i56 s LYS 93 Cb -0.21 -1.32 0.14 0.00 -0.52 0.00 0.00 37.83 35.92 3i56 s LYS 93 CO 0.25 0.32 1.48 1.15 -0.92 0.00 0.00 175.35 177.63 3i56 h THR 94 N 4.25 1.51 0.00 2.17 2.02 -1.86 -3.19 112.91 117.81 3i56 h THR 94 Ca -0.43 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.25 3i56 h THR 94 Cb 1.17 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3i56 h THR 94 CO 0.42 0.72 0.00 -0.33 0.37 0.00 0.00 175.52 176.70 3i56 h GLU 95 N 0.04 0.00 -6.76 6.66 3.07 -1.96 -3.45 114.58 112.18 3i56 h GLU 95 Ca -0.02 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.32 3i56 h GLU 95 Cb 1.33 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.29 3i56 h GLU 95 CO 0.10 0.00 0.66 0.21 -1.40 0.00 0.00 179.01 178.58 3i56 s LYS 96 N -3.76 4.37 -0.49 2.33 2.20 -1.20 -4.98 119.74 118.20 3i56 s LYS 96 Ca -0.01 2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 57.52 3i56 s LYS 96 Cb 0.10 -3.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3i56 s LYS 96 CO 0.43 -0.24 0.79 0.34 -0.36 0.00 0.00 175.35 176.31 3i56 s ASP 97 N 0.01 6.35 -0.11 1.43 3.68 -1.26 -4.90 116.67 121.87 3i56 s ASP 97 Ca 0.54 -0.33 0.18 0.00 2.13 0.00 0.00 52.55 55.07 3i56 s ASP 97 Cb -0.38 -2.38 0.70 0.00 -1.45 0.00 0.00 42.92 39.41 3i56 s ASP 97 CO 0.44 -0.98 1.61 0.54 0.13 0.00 0.00 175.17 176.91 3i56 n ARG 98 N 6.78 3.69 -3.79 4.34 1.74 -1.26 -4.96 116.66 123.20 3i56 n ARG 98 Ca 0.00 -2.86 -0.32 0.00 -0.77 0.00 0.00 57.85 53.91 3i56 n ARG 98 Cb 0.47 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 3i56 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i56 s SER 99 N -0.97 6.43 -0.15 0.55 1.04 -1.26 -4.53 113.70 114.81 3i56 s SER 99 Ca 0.50 0.45 0.02 0.00 0.48 0.00 0.00 55.95 57.40 3i56 s SER 99 Cb 0.32 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 64.42 3i56 s SER 99 CO 0.23 0.13 -0.21 -0.76 0.98 0.00 0.00 173.24 173.61 3i56 s LEU 100 N -2.47 2.11 0.52 2.42 1.43 -1.26 -5.03 118.68 116.40 3i56 s LEU 100 Ca 0.37 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3i56 s LEU 100 Cb -0.13 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3i56 s LEU 100 CO 0.25 0.05 0.95 -1.81 0.23 0.00 0.00 176.35 176.02 3i56 s ASP 101 N 0.99 6.49 -0.20 2.29 1.11 -1.26 -4.91 116.67 121.17 3i56 s ASP 101 Ca -0.03 1.42 -0.13 0.00 0.18 0.00 0.00 52.55 54.00 3i56 s ASP 101 Cb -0.15 -2.45 0.06 0.00 1.07 0.00 0.00 42.92 41.45 3i56 s ASP 101 CO -0.06 -0.63 0.51 -0.22 1.18 0.00 0.00 175.17 175.95 3i56 s LEU 102 N -4.35 -0.29 0.25 1.23 2.96 -1.26 -5.07 118.68 112.14 3i56 s LEU 102 Ca 0.56 1.09 -0.30 0.00 -0.22 0.00 0.00 54.13 55.26 3i56 s LEU 102 Cb -0.10 1.72 -0.10 0.00 0.50 0.00 0.00 46.19 48.21 3i56 s LEU 102 CO 0.38 -0.20 1.44 0.20 -1.32 0.00 0.00 176.35 176.84 3i56 s ASN 103 N 1.21 6.66 0.37 3.68 -0.87 -1.26 -4.89 114.94 119.84 3i56 s ASN 103 Ca -0.08 2.66 0.08 0.00 -1.57 0.00 0.00 52.86 53.96 3i56 s ASN 103 Cb -0.06 -2.62 0.82 0.00 -0.02 0.00 0.00 41.25 39.36 3i56 s ASN 103 CO -0.12 -0.70 1.93 0.44 -2.57 0.00 0.00 177.10 176.09 3i56 h ASP 104 N 5.02 0.61 0.06 -1.22 3.32 -2.01 -0.80 116.42 121.40 3i56 h ASP 104 Ca -0.46 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 3i56 h ASP 104 Cb 1.22 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3i56 h ASP 104 CO 0.78 0.36 -0.51 0.11 -1.72 0.00 0.00 179.24 178.26 3i56 h LYS 105 N 0.68 0.51 -0.09 3.56 1.57 -1.98 0.49 116.57 121.30 3i56 h LYS 105 Ca 0.36 -0.30 -0.21 0.00 -1.87 0.00 0.00 60.65 58.63 3i56 h LYS 105 Cb 0.49 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3i56 h LYS 105 CO -0.13 0.90 -0.79 1.49 -0.57 0.00 0.00 179.45 180.34 3i56 h GLU 106 N 0.40 0.58 0.02 3.15 4.81 -1.79 -1.68 114.58 120.07 3i56 h GLU 106 Ca 0.02 -0.50 -0.25 0.00 -0.13 0.00 0.00 59.36 58.49 3i56 h GLU 106 Cb 1.03 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.53 3i56 h GLU 106 CO 0.09 1.12 -1.03 -0.09 -0.73 0.00 0.00 179.01 178.38 3i56 h ARG 107 N 0.39 0.55 -0.41 1.92 2.43 -1.06 -2.81 114.38 115.38 3i56 h ARG 107 Ca -0.05 -0.61 -0.11 0.00 -0.81 0.00 0.00 59.98 58.40 3i56 h ARG 107 Cb 1.40 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 3i56 h ARG 107 CO 0.15 1.23 -0.19 1.96 -1.51 0.00 0.00 179.97 181.61 3i56 h GLN 108 N 0.30 0.80 -0.06 0.20 4.20 -0.91 -1.91 115.11 117.72 3i56 h GLN 108 Ca -0.11 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 3i56 h GLN 108 Cb 1.68 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 3i56 h GLN 108 CO 0.19 0.92 -0.27 1.25 -0.67 0.00 0.00 178.83 180.26 3i56 h LEU 109 N 0.70 0.10 -0.42 1.46 5.85 -1.33 -1.70 115.31 119.97 3i56 h LEU 109 Ca 0.10 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 3i56 h LEU 109 Cb 0.70 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3i56 h LEU 109 CO 0.05 0.37 -0.77 0.00 -0.34 0.00 0.00 178.44 177.76 3i56 h ALA 110 N 1.64 0.64 -0.24 1.25 0.00 -1.20 -1.22 119.26 120.14 3i56 h ALA 110 Ca 0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 3i56 h ALA 110 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i56 h ALA 110 CO 0.04 0.84 -0.17 0.28 0.00 0.00 0.00 179.25 180.23 3i56 h VAL 111 N 0.14 1.31 -0.49 0.00 2.07 -0.73 -1.63 116.25 116.93 3i56 h VAL 111 Ca -0.03 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 3i56 h VAL 111 Cb 1.35 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3i56 h VAL 111 CO 0.12 0.40 0.01 0.03 0.02 0.00 0.00 177.57 178.15 3i56 h ARG 112 N 0.25 0.81 -0.05 1.57 3.08 -1.31 -1.17 114.38 117.57 3i56 h ARG 112 Ca 0.05 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.70 3i56 h ARG 112 Cb 0.70 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3i56 h ARG 112 CO 0.05 0.81 -0.76 1.03 -1.07 0.00 0.00 179.97 180.03 3i56 h SER 113 N 0.76 0.37 0.69 7.04 0.87 -1.16 -1.71 113.55 120.42 3i56 h SER 113 Ca 0.15 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.29 3i56 h SER 113 Cb 0.45 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3i56 h SER 113 CO 0.02 1.00 -0.75 0.00 -0.53 0.00 0.00 176.83 176.56 3i56 h ALA 114 N 0.99 0.74 0.00 6.23 0.00 -1.10 -1.96 119.26 124.16 3i56 h ALA 114 Ca -0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 3i56 h ALA 114 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i56 h ALA 114 CO 0.12 0.91 -0.54 1.25 0.00 0.00 0.00 179.25 181.00 3i56 h LEU 115 N 0.03 0.00 0.00 0.00 5.85 -1.07 -2.86 115.31 117.26 3i56 h LEU 115 Ca -0.01 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.51 3i56 h LEU 115 Cb 1.33 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3i56 h LEU 115 CO 0.10 0.54 -0.96 0.00 -0.34 0.00 0.00 178.44 177.78 3i56 h ALA 116 N 1.46 0.40 0.00 1.25 0.00 -1.02 -3.11 119.26 118.24 3i56 h ALA 116 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3i56 h ALA 116 Cb 1.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i56 h ALA 116 CO 0.07 1.18 0.00 0.00 0.00 0.00 0.00 179.25 180.50 3i56 n ALA 117 N -2.34 1.81 0.08 0.00 0.00 -0.76 -1.94 120.51 117.36 3i56 n ALA 117 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3i56 n ALA 117 Cb 0.92 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 3i56 n ALA 117 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i56 h THR 118 N 0.00 1.64 -0.49 0.00 2.02 -1.54 -3.32 112.91 111.22 3i56 h THR 118 Ca 0.00 -3.10 -0.12 0.00 0.77 0.00 0.00 66.41 63.96 3i56 h THR 118 Cb 0.27 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 3i56 h THR 118 CO 0.00 0.89 -0.16 0.00 0.37 0.00 0.00 175.52 176.61 3i56 h ALA 119 N 1.04 0.68 -2.03 6.16 0.00 -1.54 -3.27 119.26 120.30 3i56 h ALA 119 Ca -0.02 -0.37 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 3i56 h ALA 119 Cb 1.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3i56 h ALA 119 CO 0.13 0.63 1.07 0.34 0.00 0.00 0.00 179.25 181.42 3i56 s ASP 120 N -6.65 6.50 0.44 0.00 -1.08 -1.25 -4.48 116.67 110.16 3i56 s ASP 120 Ca -0.12 1.54 0.22 0.00 -0.52 0.00 0.00 52.55 53.68 3i56 s ASP 120 Cb 0.12 -2.53 1.02 0.00 -1.46 0.00 0.00 42.92 40.07 3i56 s ASP 120 CO 0.86 -1.17 1.89 0.00 0.52 0.00 0.00 175.17 177.27 3i56 h ALA 121 N 10.16 1.16 0.18 3.66 0.00 -1.86 -3.16 119.26 129.41 3i56 h ALA 121 Ca -0.31 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.07 3i56 h ALA 121 Cb 1.14 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i56 h ALA 121 CO 1.01 0.31 -1.38 -0.44 0.00 0.00 0.00 179.25 178.75 3i56 h ASP 122 N 0.00 0.61 -0.57 0.00 3.32 -1.95 -3.20 116.42 114.63 3i56 h ASP 122 Ca -0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 3i56 h ASP 122 Cb 0.63 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3i56 h ASP 122 CO 0.03 1.52 0.16 -0.07 -1.72 0.00 0.00 179.24 179.17 3i56 h LEU 123 N 0.11 0.87 -1.19 1.55 3.38 -1.88 -1.61 115.31 116.54 3i56 h LEU 123 Ca -0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3i56 h LEU 123 Cb 2.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 3i56 h LEU 123 CO 0.23 0.84 -0.04 0.58 0.09 0.00 0.00 178.44 180.15 3i56 h VAL 124 N 0.90 1.21 0.02 1.22 2.07 -1.64 -0.20 116.25 119.83 3i56 h VAL 124 Ca 0.20 -0.84 -0.21 0.00 0.82 0.00 0.00 66.70 66.66 3i56 h VAL 124 Cb 0.30 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3i56 h VAL 124 CO -0.00 0.29 -0.96 0.00 0.02 0.00 0.00 177.57 176.91 3i56 h ALA 125 N 1.48 0.42 0.00 1.67 0.00 -1.43 -3.19 119.26 118.21 3i56 h ALA 125 Ca 0.10 -0.81 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 3i56 h ALA 125 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i56 h ALA 125 CO 0.02 1.05 -0.68 -0.44 0.00 0.00 0.00 179.25 179.20 3i56 h ASP 126 N 0.05 0.00 0.75 0.00 3.32 -0.73 -3.01 116.42 116.79 3i56 h ASP 126 Ca -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3i56 h ASP 126 Cb 1.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 3i56 h ASP 126 CO 0.14 0.68 -0.22 -0.09 -1.72 0.00 0.00 179.24 178.02 3i56 h ARG 127 N 0.00 0.00 0.00 3.56 2.43 -1.07 -3.47 114.38 115.83 3i56 h ARG 127 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i56 h ARG 127 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3i56 h ARG 127 CO 0.09 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 179.18 3i56 n GLY 128 N -0.08 1.34 3.71 2.80 0.00 -1.14 -5.11 105.19 106.72 3i56 n GLY 128 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3i56 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i56 n HIS 129 N 0.00 2.59 -3.49 1.61 8.25 -1.21 -4.99 115.22 117.98 3i56 n HIS 129 Ca 0.00 0.27 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 3i56 n HIS 129 Cb 0.00 -2.57 -0.10 0.00 1.12 0.00 0.00 29.99 28.44 3i56 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i56 s GLU 130 N -0.08 3.29 0.18 -0.41 0.41 -1.26 -4.63 118.70 116.20 3i56 s GLU 130 Ca 0.68 -0.77 -0.19 0.00 -0.41 0.00 0.00 54.97 54.28 3i56 s GLU 130 Cb -0.56 -3.88 0.04 0.00 -1.78 0.00 0.00 34.13 27.95 3i56 s GLU 130 CO 0.45 -0.58 0.54 -0.59 -0.49 0.00 0.00 175.26 174.60 3i56 s PHE 131 N 1.74 -0.26 -0.64 1.61 -0.12 -1.26 -1.16 117.98 117.89 3i56 s PHE 131 Ca 0.06 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3i56 s PHE 131 Cb -0.18 0.45 0.17 0.00 -0.63 0.00 0.00 43.02 42.82 3i56 s PHE 131 CO 0.11 -0.89 0.45 -0.51 -0.05 0.00 0.00 175.22 174.33 3i56 s ASP 132 N -2.83 4.12 0.19 1.98 1.01 0.14 -5.03 116.67 116.25 3i56 s ASP 132 Ca 0.06 -3.66 -0.08 0.00 0.71 0.00 0.00 52.55 49.58 3i56 s ASP 132 Cb -0.01 -1.39 -0.01 0.00 1.01 0.00 0.00 42.92 42.52 3i56 s ASP 132 CO -0.06 -0.11 0.30 -0.13 0.21 0.00 0.00 175.17 175.38 3i56 s ARG 133 N -1.09 1.26 -0.04 8.23 0.52 -1.26 -4.72 118.95 121.85 3i56 s ARG 133 Ca 0.26 -1.29 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3i56 s ARG 133 Cb -0.04 0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 3i56 s ARG 133 CO -0.17 -0.47 -0.04 -0.25 0.02 0.00 0.00 175.30 174.40 3i56 n ASP 134 N -0.27 2.87 -4.77 0.23 8.00 -1.26 -5.00 116.55 116.35 3i56 n ASP 134 Ca -0.04 -0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.06 3i56 n ASP 134 Cb 0.63 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 3i56 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i56 s GLU 135 N -2.08 4.40 -0.25 -1.24 2.02 -1.26 -4.76 118.70 115.52 3i56 s GLU 135 Ca -0.05 0.92 -0.21 0.00 0.02 0.00 0.00 54.97 55.65 3i56 s GLU 135 Cb 0.02 -3.31 0.07 0.00 0.10 0.00 0.00 34.13 31.01 3i56 s GLU 135 CO 0.09 0.45 0.66 0.54 0.02 0.00 0.00 175.26 177.01 3i56 s VAL 136 N -0.57 -0.00 0.62 2.63 0.11 -1.26 -4.70 120.40 117.23 3i56 s VAL 136 Ca 0.34 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 3i56 s VAL 136 Cb -0.20 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 3i56 s VAL 136 CO 0.21 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 170.94 3i56 s PRO 137 N 0.66 2.98 -0.18 1.54 0.04 -1.23 -4.39 135.00 134.43 3i56 s PRO 137 Ca -0.03 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3i56 s PRO 137 Cb -0.05 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3i56 s PRO 137 CO -0.04 -1.12 1.34 0.08 0.04 0.00 0.00 177.00 177.30 3i56 s VAL 138 N -2.18 4.14 -0.29 -0.36 1.01 -0.88 -4.92 120.40 116.92 3i56 s VAL 138 Ca 0.68 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.94 3i56 s VAL 138 Cb -0.21 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3i56 s VAL 138 CO 0.37 -0.19 0.13 -0.69 0.00 0.00 0.00 175.10 174.72 3i56 s VAL 139 N 3.81 4.53 -0.03 2.92 1.01 -1.26 -1.19 120.40 130.18 3i56 s VAL 139 Ca 0.58 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3i56 s VAL 139 Cb -0.22 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3i56 s VAL 139 CO 0.18 0.14 -0.26 -0.69 0.00 0.00 0.00 175.10 174.48 3i56 s VAL 140 N 1.61 2.06 0.70 2.92 1.01 -0.65 -1.23 120.40 126.82 3i56 s VAL 140 Ca 0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 3i56 s VAL 140 Cb -0.17 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3i56 s VAL 140 CO 0.06 0.58 1.20 -1.54 0.00 0.00 0.00 175.10 175.39 3i56 n SER 141 N 2.61 1.48 0.07 3.32 3.41 -0.22 -1.90 113.62 122.38 3i56 n SER 141 Ca -0.16 0.74 0.02 0.00 -0.26 0.00 0.00 58.87 59.21 3i56 n SER 141 Cb 0.51 -1.51 0.13 0.00 -0.26 0.00 0.00 64.21 63.08 3i56 n SER 141 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i56 n ASP 142 N -2.15 0.12 0.00 4.04 8.00 -1.26 -1.54 116.55 123.77 3i56 n ASP 142 Ca 0.15 0.37 0.09 0.00 0.71 0.00 0.00 54.79 56.10 3i56 n ASP 142 Cb 0.49 -0.34 0.52 0.00 -0.02 0.00 0.00 41.12 41.77 3i56 n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i56 n ASP 143 N -1.56 0.00 0.06 -2.24 9.92 -1.26 -2.50 116.55 118.96 3i56 n ASP 143 Ca -0.00 -0.45 -0.21 0.00 -0.53 0.00 0.00 54.79 53.59 3i56 n ASP 143 Cb 0.29 -0.05 -0.11 0.00 -0.64 0.00 0.00 41.12 40.60 3i56 n ASP 143 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3i56 h PHE 144 N 0.00 1.03 0.00 1.24 3.57 -1.62 -3.27 116.94 117.90 3i56 h PHE 144 Ca 0.00 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.91 3i56 h PHE 144 Cb 0.03 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3i56 h PHE 144 CO 0.00 1.43 0.00 0.93 -2.23 0.00 0.00 178.31 178.44 3i56 h GLU 145 N 0.35 0.00 -0.02 1.11 5.08 -1.75 -2.24 114.58 117.11 3i56 h GLU 145 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3i56 h GLU 145 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3i56 h GLU 145 CO 0.21 0.00 -0.12 -0.25 -1.00 0.00 0.00 179.01 177.85 3i56 n ASP 146 N -2.98 1.90 -4.74 1.42 8.00 -1.23 -4.92 116.55 114.01 3i56 n ASP 146 Ca -0.03 -1.52 -0.41 0.00 0.71 0.00 0.00 54.79 53.54 3i56 n ASP 146 Cb 0.07 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3i56 n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i56 s LEU 147 N -2.17 4.44 -0.16 0.64 1.43 -0.84 -4.94 118.68 117.07 3i56 s LEU 147 Ca 0.30 2.29 0.06 0.00 -1.03 0.00 0.00 54.13 55.75 3i56 s LEU 147 Cb 0.20 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.68 3i56 s LEU 147 CO 0.40 -0.43 -0.07 0.52 0.23 0.00 0.00 176.35 177.00 3i56 n VAL 148 N 2.54 0.98 -3.22 -1.59 0.31 -1.26 -4.44 118.33 111.64 3i56 n VAL 148 Ca 0.05 -0.46 -0.36 0.00 -0.01 0.00 0.00 64.34 63.56 3i56 n VAL 148 Cb 0.44 -0.93 -0.06 0.00 -0.91 0.00 0.00 33.84 32.38 3i56 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i56 s LYS 149 N -2.34 4.13 0.12 5.55 -0.14 -1.26 -4.44 119.74 121.35 3i56 s LYS 149 Ca -0.17 0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 55.04 3i56 s LYS 149 Cb 0.05 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 3i56 s LYS 149 CO 0.47 0.44 1.34 1.15 -0.76 0.00 0.00 175.35 177.98 3i56 h THR 150 N 2.79 1.31 0.00 2.17 2.02 -1.93 -3.20 112.91 116.08 3i56 h THR 150 Ca -0.48 -2.06 -0.01 0.00 0.77 0.00 0.00 66.41 64.63 3i56 h THR 150 Cb 1.19 2.07 -0.00 0.00 -1.74 0.00 0.00 68.15 69.67 3i56 h THR 150 CO 0.65 0.64 -0.03 1.56 0.37 0.00 0.00 175.52 178.71 3i56 h GLN 151 N 0.44 0.00 0.04 6.66 1.08 -1.94 -1.66 115.11 119.73 3i56 h GLN 151 Ca -0.05 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.92 3i56 h GLN 151 Cb 1.41 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.82 3i56 h GLN 151 CO 0.15 0.03 -1.05 0.93 -0.95 0.00 0.00 178.83 177.95 3i56 h GLU 152 N 0.00 0.11 0.00 1.46 5.08 -1.94 -3.05 114.58 116.24 3i56 h GLU 152 Ca -0.00 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3i56 h GLU 152 Cb 0.16 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i56 h GLU 152 CO 0.00 1.05 -0.46 0.28 -1.00 0.00 0.00 179.01 178.88 3i56 h VAL 153 N 0.04 0.98 -0.06 3.13 2.07 -1.39 -2.68 116.25 118.34 3i56 h VAL 153 Ca -0.05 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 3i56 h VAL 153 Cb 1.78 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3i56 h VAL 153 CO 0.15 0.45 -0.00 0.58 0.02 0.00 0.00 177.57 178.77 3i56 h VAL 154 N 0.00 1.26 -0.91 2.57 2.07 -1.41 -2.08 116.25 117.76 3i56 h VAL 154 Ca -0.00 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3i56 h VAL 154 Cb 1.07 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3i56 h VAL 154 CO 0.06 0.22 0.59 0.28 0.02 0.00 0.00 177.57 178.74 3i56 h SER 155 N -0.20 1.01 -0.67 0.57 0.02 -1.42 -0.52 113.55 112.34 3i56 h SER 155 Ca 0.02 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3i56 h SER 155 Cb 0.35 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3i56 h SER 155 CO 0.00 0.71 0.12 0.25 -1.14 0.00 0.00 176.83 176.77 3i56 h LEU 156 N 1.18 1.06 -0.73 5.07 5.85 -1.41 -1.07 115.31 125.26 3i56 h LEU 156 Ca 0.35 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i56 h LEU 156 Cb -0.06 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.69 3i56 h LEU 156 CO -0.10 1.04 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.96 3i56 h LEU 157 N 1.04 0.00 0.04 2.25 3.38 -0.72 -1.98 115.31 119.32 3i56 h LEU 157 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 3i56 h LEU 157 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3i56 h LEU 157 CO 0.01 0.01 -1.19 -0.33 0.09 0.00 0.00 178.44 177.03 3i56 h GLU 158 N 0.00 0.09 0.00 1.13 5.08 -0.65 -1.48 114.58 118.76 3i56 h GLU 158 Ca -0.00 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3i56 h GLU 158 Cb 0.77 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3i56 h GLU 158 CO 0.00 1.01 -0.22 0.00 -1.00 0.00 0.00 179.01 178.80 3i56 h ALA 159 N 0.84 0.92 -0.08 3.43 0.00 -0.94 -2.96 119.26 120.47 3i56 h ALA 159 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i56 h ALA 159 Cb 1.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3i56 h ALA 159 CO 0.15 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.95 3i56 n LEU 160 N -3.24 2.29 -3.33 0.00 4.77 -0.77 -4.88 117.00 111.84 3i56 n LEU 160 Ca 0.02 -0.82 -0.24 0.00 -0.03 0.00 0.00 56.01 54.94 3i56 n LEU 160 Cb 0.52 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 3i56 n LEU 160 CO 0.35 0.41 0.05 0.47 -1.33 0.00 0.00 177.39 177.33 3i56 n ASP 161 N 0.77 -5.40 0.00 -1.43 8.00 -1.12 -4.84 116.55 112.53 3i56 n ASP 161 Ca 0.17 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3i56 n ASP 161 Cb 0.47 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 3i56 n ASP 161 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3i56 n VAL 162 N -4.48 0.49 0.18 2.53 3.14 -0.63 -0.69 118.33 118.87 3i56 n VAL 162 Ca -0.05 -0.64 0.06 0.00 -2.96 0.00 0.00 64.34 60.76 3i56 n VAL 162 Cb 0.58 0.84 0.19 0.00 -1.06 0.00 0.00 33.84 34.39 3i56 n VAL 162 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 3i56 h HIS 163 N 0.00 0.00 0.00 1.45 6.17 -1.66 -3.29 115.15 117.82 3i56 h HIS 163 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3i56 h HIS 163 Cb 0.42 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.35 3i56 h HIS 163 CO 0.00 0.33 0.09 0.00 0.71 0.00 0.00 177.93 179.06 3i56 n ALA 164 N -2.21 0.92 0.08 5.26 0.00 -1.26 -1.04 120.51 122.27 3i56 n ALA 164 Ca 0.02 0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 3i56 n ALA 164 Cb 0.60 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 3i56 n ALA 164 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3i56 h ASP 165 N 0.00 0.07 1.03 0.00 3.58 -1.21 -2.76 116.42 117.13 3i56 h ASP 165 Ca 0.00 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 3i56 h ASP 165 Cb 0.17 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3i56 h ASP 165 CO 0.00 0.97 -0.77 0.40 -2.88 0.00 0.00 179.24 176.96 3i56 h ILE 166 N 0.02 1.42 0.00 2.25 2.04 -1.33 -2.21 117.51 119.70 3i56 h ILE 166 Ca -0.02 -2.78 -0.05 0.00 1.00 0.00 0.00 64.86 63.00 3i56 h ILE 166 Cb 1.65 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 3i56 h ILE 166 CO 0.13 0.76 -0.24 0.44 0.00 0.00 0.00 178.15 179.23 3i56 h ASP 167 N 0.00 0.00 0.09 1.72 3.45 -1.46 -1.73 116.42 118.49 3i56 h ASP 167 Ca -0.01 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.18 3i56 h ASP 167 Cb 1.50 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 40.29 3i56 h ASP 167 CO 0.10 0.24 -1.11 -0.09 -1.57 0.00 0.00 179.24 176.81 3i56 h ARG 168 N 0.00 0.60 -0.35 3.56 2.43 -1.28 -3.28 114.38 116.06 3i56 h ARG 168 Ca -0.00 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 3i56 h ARG 168 Cb 0.82 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3i56 h ARG 168 CO 0.03 1.33 0.00 0.00 -1.51 0.00 0.00 179.97 179.83 3i56 n ALA 169 N -2.67 2.53 -1.04 2.80 0.00 -0.85 -4.13 120.51 117.16 3i56 n ALA 169 Ca -0.13 -0.50 -0.24 0.00 0.00 0.00 0.00 53.44 52.57 3i56 n ALA 169 Cb 0.92 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 19.52 3i56 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i56 n ASP 170 N 0.27 4.83 -3.73 0.00 -0.08 -0.69 -4.19 116.55 112.97 3i56 n ASP 170 Ca 0.09 -3.48 -0.27 0.00 -1.51 0.00 0.00 54.79 49.62 3i56 n ASP 170 Cb 0.28 -0.86 -0.17 0.00 2.34 0.00 0.00 41.12 42.71 3i56 n ASP 170 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3i56 s GLU 171 N -3.04 0.59 0.12 -0.67 2.02 -1.26 -5.08 118.70 111.37 3i56 s GLU 171 Ca 0.52 -0.34 -0.25 0.00 0.02 0.00 0.00 54.97 54.92 3i56 s GLU 171 Cb 0.43 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.62 3i56 s GLU 171 CO 0.06 -0.61 0.78 0.95 0.02 0.00 0.00 175.26 176.46 3i56 s THR 172 N 1.90 4.52 -0.18 3.63 -4.23 -1.26 -4.51 115.64 115.50 3i56 s THR 172 Ca -0.00 1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 62.12 3i56 s THR 172 Cb -0.16 -4.14 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 3i56 s THR 172 CO -0.08 0.45 0.11 -0.75 -0.54 0.00 0.00 174.62 173.82 3i56 s LYS 173 N -0.66 3.98 -0.52 3.99 2.20 0.57 -4.95 119.74 124.34 3i56 s LYS 173 Ca 0.37 -0.24 -0.19 0.00 -0.36 0.00 0.00 55.97 55.56 3i56 s LYS 173 Cb -0.22 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3i56 s LYS 173 CO 0.25 0.39 0.64 0.42 -0.36 0.00 0.00 175.35 176.69 3i56 s ILE 174 N 0.08 4.87 0.60 5.43 1.01 -1.26 -2.03 121.20 129.90 3i56 s ILE 174 Ca 0.08 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 3i56 s ILE 174 Cb -0.11 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 3i56 s ILE 174 CO -0.00 -0.87 0.74 0.29 0.00 0.00 0.00 174.94 175.10 3i56 n LYS 175 N 6.20 0.66 -3.10 2.79 5.02 -0.73 -5.00 118.16 124.00 3i56 n LYS 175 Ca -0.07 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.09 3i56 n LYS 175 Cb 0.45 -1.94 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 3i56 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i56 s ALA 176 N -1.64 3.39 0.00 7.82 0.00 -1.26 -4.90 121.76 125.17 3i56 s ALA 176 Ca 0.72 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3i56 s ALA 176 Cb -0.42 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3i56 s ALA 176 CO 0.51 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3i56 n GLY 177 N 2.84 1.59 0.00 0.00 0.00 -1.26 -4.71 105.19 103.64 3i56 n GLY 177 Ca -0.03 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.97 3i56 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i56 n GLN 178 N 1.36 0.19 0.26 1.61 6.02 -1.26 -2.75 117.38 122.82 3i56 n GLN 178 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3i56 n GLN 178 Cb 0.00 -1.21 0.73 0.00 1.02 0.00 0.00 30.24 30.78 3i56 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i56 h GLY 179 N 1.06 0.00 0.38 1.08 0.00 -1.87 -2.32 103.07 101.40 3i56 h GLY 179 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3i56 h GLY 179 CO 0.00 0.00 -0.20 0.23 0.00 0.00 0.00 176.54 176.57 3i56 h SER 180 N 0.00 -0.62 0.29 0.19 0.87 -1.68 -1.43 113.55 111.18 3i56 h SER 180 Ca -0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3i56 h SER 180 Cb 0.30 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3i56 h SER 180 CO 0.01 -0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.06 3i56 n ALA 181 N -2.65 1.28 0.24 6.23 0.00 -0.87 -1.90 120.51 122.85 3i56 n ALA 181 Ca -0.03 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.67 3i56 n ALA 181 Cb 0.25 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.52 3i56 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i56 n ARG 182 N -2.27 2.20 0.00 0.00 1.74 -0.63 -4.96 116.66 112.74 3i56 n ARG 182 Ca -0.00 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 3i56 n ARG 182 Cb 0.11 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3i56 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i56 n GLY 183 N 1.14 0.39 2.56 -0.13 0.00 -0.80 -4.97 105.19 103.37 3i56 n GLY 183 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3i56 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 n ARG 184 N -1.96 2.83 -0.00 1.61 1.74 -0.67 -4.74 116.66 115.47 3i56 n ARG 184 Ca 0.00 -3.53 -0.11 0.00 -0.77 0.00 0.00 57.85 53.44 3i56 n ARG 184 Cb 0.00 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.10 3i56 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i56 h LYS 185 N 2.46 0.12 -6.07 5.56 3.64 -1.74 -3.37 116.57 117.18 3i56 h LYS 185 Ca 0.56 -0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 59.39 3i56 h LYS 185 Cb 0.55 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3i56 h LYS 185 CO 1.42 0.18 -0.45 0.71 -2.27 0.00 0.00 179.45 179.04 3i56 s TYR 186 N -5.79 2.69 0.16 1.91 1.51 -1.26 -1.78 117.35 114.78 3i56 s TYR 186 Ca -0.14 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.22 3i56 s TYR 186 Cb 0.06 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 40.01 3i56 s TYR 186 CO 0.68 0.10 0.58 -0.98 -1.11 0.00 0.00 175.55 174.81 3i56 s ARG 187 N -3.99 1.26 0.06 -0.62 1.70 -0.86 -4.91 118.95 111.59 3i56 s ARG 187 Ca 0.43 -0.50 -0.14 0.00 -0.47 0.00 0.00 55.73 55.06 3i56 s ARG 187 Cb -0.01 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 3i56 s ARG 187 CO 0.25 -0.54 0.31 -0.98 -1.08 0.00 0.00 175.30 173.25 3i56 s ARG 188 N -3.76 0.86 0.59 3.89 1.70 -1.26 -0.32 118.95 120.65 3i56 s ARG 188 Ca 0.01 -0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 54.49 3i56 s ARG 188 Cb -0.01 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 3i56 s ARG 188 CO -0.13 -0.29 1.28 -2.14 -1.08 0.00 0.00 175.30 172.94 3i56 s PRO 189 N -2.91 2.92 0.03 3.89 0.02 -1.26 -4.99 135.00 132.69 3i56 s PRO 189 Ca -0.02 2.03 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 3i56 s PRO 189 Cb 0.00 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 3i56 s PRO 189 CO -0.06 -1.30 0.78 0.00 -0.33 0.00 0.00 177.00 176.09 3i56 s ALA 190 N -1.43 3.34 0.00 -1.55 0.00 -1.26 -4.39 121.76 116.47 3i56 s ALA 190 Ca 0.77 0.29 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3i56 s ALA 190 Cb -0.36 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i56 s ALA 190 CO 0.40 0.01 0.00 -1.13 0.00 0.00 0.00 175.76 175.04 3i56 n SER 191 N 3.04 0.00 -4.74 0.00 3.41 0.10 -4.96 113.62 110.47 3i56 n SER 191 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.21 3i56 n SER 191 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3i56 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i56 s ILE 192 N 2.56 5.07 -0.11 -1.33 1.01 -1.26 -4.44 121.20 122.70 3i56 s ILE 192 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 60.65 61.64 3i56 s ILE 192 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3i56 s ILE 192 CO 0.00 0.35 0.33 -0.22 0.00 0.00 0.00 174.94 175.40 3i56 s LEU 193 N 0.34 4.32 -0.39 2.97 2.96 -1.06 -2.31 118.68 125.50 3i56 s LEU 193 Ca 0.30 0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 3i56 s LEU 193 Cb -0.17 -2.44 0.08 0.00 0.50 0.00 0.00 46.19 44.17 3i56 s LEU 193 CO 0.14 0.18 0.20 -0.36 -1.32 0.00 0.00 176.35 175.18 3i56 s PHE 194 N -0.08 3.39 -0.31 5.38 0.40 -0.36 -1.33 117.98 125.07 3i56 s PHE 194 Ca 0.19 -1.80 -0.15 0.00 -0.60 0.00 0.00 56.93 54.57 3i56 s PHE 194 Cb -0.14 -2.86 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 3i56 s PHE 194 CO 0.07 -0.87 0.36 0.08 0.70 0.00 0.00 175.22 175.57 3i56 s VAL 195 N 1.32 5.17 0.00 -0.44 1.01 -0.15 -0.83 120.40 126.48 3i56 s VAL 195 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3i56 s VAL 195 Cb -0.22 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3i56 s VAL 195 CO 0.00 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.47 3i56 n THR 196 N 5.19 0.00 0.00 3.92 -2.24 -0.20 -1.89 114.28 119.06 3i56 n THR 196 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3i56 n THR 196 Cb 0.50 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3i56 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3i56 n SER 197 N -1.34 0.56 -0.02 3.42 2.88 -1.26 -1.64 113.62 116.22 3i56 n SER 197 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3i56 n SER 197 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i56 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3i56 h ASP 198 N 0.00 -0.03 -4.99 -3.46 5.19 -1.99 -3.43 116.42 107.70 3i56 h ASP 198 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 3i56 h ASP 198 Cb 0.93 0.01 -0.21 0.00 0.18 0.00 0.00 39.33 40.24 3i56 h ASP 198 CO 0.00 0.36 -0.61 -1.61 -3.12 0.00 0.00 179.24 174.26 3i56 s GLU 199 N -1.57 0.40 0.69 3.56 2.02 -1.26 -5.10 118.70 117.43 3i56 s GLU 199 Ca -0.01 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 3i56 s GLU 199 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.39 3i56 s GLU 199 CO 0.02 -0.08 1.14 -2.30 0.02 0.00 0.00 175.26 174.05 3i56 n PRO 200 N 1.48 0.75 -2.09 0.39 -0.02 -1.26 -4.81 135.00 129.44 3i56 n PRO 200 Ca -0.23 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 3i56 n PRO 200 Cb 0.55 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3i56 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i56 s SER 201 N -1.56 5.35 0.47 2.55 0.15 -1.26 -4.80 113.70 114.60 3i56 s SER 201 Ca 0.78 0.14 0.16 0.00 0.70 0.00 0.00 55.95 57.73 3i56 s SER 201 Cb -0.36 -2.54 1.09 0.00 -1.71 0.00 0.00 66.02 62.51 3i56 s SER 201 CO 0.46 -2.36 2.03 0.74 1.20 0.00 0.00 173.24 175.30 3i56 h THR 202 N 6.84 1.06 0.00 6.45 2.02 -1.89 -1.05 112.91 126.34 3i56 h THR 202 Ca -0.22 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 3i56 h THR 202 Cb 1.13 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3i56 h THR 202 CO 1.23 0.15 -0.32 0.00 0.37 0.00 0.00 175.52 176.94 3i56 h ALA 203 N 1.85 0.88 0.00 6.16 0.00 -1.78 -3.34 119.26 123.03 3i56 h ALA 203 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i56 h ALA 203 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i56 h ALA 203 CO 0.02 0.40 -1.60 0.00 0.00 0.00 0.00 179.25 178.07 3i56 n ALA 204 N -2.21 2.56 0.00 0.00 0.00 -0.70 -3.87 120.51 116.30 3i56 n ALA 204 Ca 0.01 -0.33 0.22 0.00 0.00 0.00 0.00 53.44 53.34 3i56 n ALA 204 Cb 0.57 -0.48 0.73 0.00 0.00 0.00 0.00 19.45 20.27 3i56 n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i56 h ARG 205 N 0.00 0.00 -0.11 0.00 0.11 -1.35 -1.46 114.38 111.57 3i56 h ARG 205 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i56 h ARG 205 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 3i56 h ARG 205 CO 0.00 0.00 0.00 -1.71 0.10 0.00 0.00 179.97 178.36 3i56 n ASN 206 N -3.98 1.67 -4.74 0.08 5.15 -1.26 -4.80 115.26 107.39 3i56 n ASN 206 Ca 0.11 -1.63 -0.41 0.00 -0.60 0.00 0.00 54.58 52.04 3i56 n ASN 206 Cb 0.71 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.87 3i56 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i56 s LEU 207 N -1.76 4.43 -0.39 1.20 1.43 -0.55 -4.88 118.68 118.17 3i56 s LEU 207 Ca 0.35 2.35 -0.35 0.00 -1.03 0.00 0.00 54.13 55.45 3i56 s LEU 207 Cb 0.19 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.68 3i56 s LEU 207 CO 0.30 -0.46 2.22 0.00 0.23 0.00 0.00 176.35 178.64 3i56 n ALA 208 N 2.43 1.01 -0.42 4.21 0.00 -1.26 -1.04 120.51 125.44 3i56 n ALA 208 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i56 n ALA 208 Cb 0.43 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.33 3i56 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 209 N 6.56 1.21 3.81 0.00 0.00 -1.26 -4.66 105.19 110.85 3i56 n GLY 209 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3i56 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 210 N -3.06 3.01 0.04 4.61 0.00 -0.20 0.01 121.76 126.15 3i56 s ALA 210 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3i56 s ALA 210 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3i56 s ALA 210 CO 0.00 0.04 -0.15 -0.51 0.00 0.00 0.00 175.76 175.14 3i56 s ASP 211 N -2.13 1.81 -0.08 0.00 1.01 -0.98 -4.86 116.67 111.45 3i56 s ASP 211 Ca 0.63 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.48 3i56 s ASP 211 Cb -0.11 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 3i56 s ASP 211 CO 0.15 0.07 -0.21 0.68 0.21 0.00 0.00 175.17 176.06 3i56 s VAL 212 N -0.80 2.41 0.18 -1.27 -7.23 -1.26 -1.22 120.40 111.21 3i56 s VAL 212 Ca 0.03 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 3i56 s VAL 212 Cb -0.08 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3i56 s VAL 212 CO 0.01 0.56 0.11 0.00 -0.31 0.00 0.00 175.10 175.48 3i56 s ALA 213 N -0.09 1.09 0.03 1.32 0.00 -0.01 -4.93 121.76 119.18 3i56 s ALA 213 Ca -0.05 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.36 3i56 s ALA 213 Cb -0.14 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 3i56 s ALA 213 CO 0.04 -0.56 -0.25 0.99 0.00 0.00 0.00 175.76 175.98 3i56 s THR 214 N -4.13 2.02 0.36 0.00 2.01 -1.26 -1.04 115.64 113.61 3i56 s THR 214 Ca 0.35 -1.30 0.12 0.00 0.31 0.00 0.00 61.69 61.17 3i56 s THR 214 Cb 0.07 -1.73 0.34 0.00 0.01 0.00 0.00 72.50 71.20 3i56 s THR 214 CO 0.09 0.37 1.81 0.00 -0.69 0.00 0.00 174.62 176.21 3i56 h ALA 215 N 4.93 1.94 0.00 7.40 0.00 -1.59 -0.13 119.26 131.80 3i56 h ALA 215 Ca -0.45 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3i56 h ALA 215 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i56 h ALA 215 CO 0.44 -0.27 -0.29 0.66 0.00 0.00 0.00 179.25 179.79 3i56 h SER 216 N 0.60 0.00 0.00 0.00 4.64 -1.89 -3.33 113.55 113.57 3i56 h SER 216 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3i56 h SER 216 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3i56 h SER 216 CO -0.28 0.29 -0.16 -1.84 -0.87 0.00 0.00 176.83 173.97 3i56 n GLU 217 N -3.66 0.90 -2.07 4.77 0.28 -0.94 -5.06 120.64 114.86 3i56 n GLU 217 Ca -0.01 -1.40 -0.42 0.00 -0.16 0.00 0.00 57.16 55.17 3i56 n GLU 217 Cb 0.41 -0.86 -0.03 0.00 1.43 0.00 0.00 31.44 32.39 3i56 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i56 s VAL 218 N -0.95 3.29 0.57 3.84 0.11 -0.11 -4.88 120.40 122.28 3i56 s VAL 218 Ca 0.08 0.78 0.06 0.00 -2.93 0.00 0.00 61.98 59.97 3i56 s VAL 218 Cb 0.07 -3.50 0.06 0.00 -1.53 0.00 0.00 36.38 31.49 3i56 s VAL 218 CO 0.01 0.01 0.53 -0.46 -3.33 0.00 0.00 175.10 171.86 3i56 n ASN 219 N 5.14 2.61 0.09 3.54 0.23 -1.26 -5.00 115.26 120.60 3i56 n ASN 219 Ca 0.14 -2.82 0.04 0.00 -0.53 0.00 0.00 54.58 51.41 3i56 n ASN 219 Cb 0.42 -0.15 0.45 0.00 -2.08 0.00 0.00 39.78 38.41 3i56 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3i56 h THR 220 N 0.51 1.11 -0.12 5.53 2.02 -1.91 -1.52 112.91 118.53 3i56 h THR 220 Ca -0.33 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.32 3i56 h THR 220 Cb 1.29 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3i56 h THR 220 CO 0.51 0.14 -0.54 -0.33 0.37 0.00 0.00 175.52 175.67 3i56 h GLU 221 N 0.34 0.35 -0.05 6.66 5.08 -1.91 0.27 114.58 125.32 3i56 h GLU 221 Ca 0.08 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3i56 h GLU 221 Cb 0.12 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3i56 h GLU 221 CO -0.01 0.80 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.31 3i56 h ASP 222 N 0.27 0.14 0.49 1.42 3.45 -1.78 -2.48 116.42 117.93 3i56 h ASP 222 Ca 0.01 -0.49 -0.11 0.00 0.43 0.00 0.00 57.03 56.86 3i56 h ASP 222 Cb 1.04 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 3i56 h ASP 222 CO 0.09 0.60 -0.53 -0.07 -1.57 0.00 0.00 179.24 177.76 3i56 h LEU 223 N -0.32 0.04 -5.94 1.55 -0.00 -1.28 -3.39 115.31 105.98 3i56 h LEU 223 Ca 0.01 -0.02 -0.48 0.00 -0.00 0.00 0.00 57.88 57.38 3i56 h LEU 223 Cb 0.56 -0.01 -0.33 0.00 -0.00 0.00 0.00 40.66 40.88 3i56 h LEU 223 CO 0.01 0.57 -0.89 0.00 -0.00 0.00 0.00 178.44 178.13 3i56 n ALA 224 N -2.44 1.64 -1.73 1.53 0.00 0.95 -3.49 120.51 116.97 3i56 n ALA 224 Ca -0.01 -2.70 -0.42 0.00 0.00 0.00 0.00 53.44 50.31 3i56 n ALA 224 Cb 0.54 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 3i56 n ALA 224 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i56 s PRO 225 N -0.06 4.15 0.00 0.00 0.04 -0.94 -1.47 135.00 136.73 3i56 s PRO 225 Ca 0.33 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.91 3i56 s PRO 225 Cb 0.08 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.52 3i56 s PRO 225 CO -0.16 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.36 3i56 n GLY 226 N 4.46 0.56 2.37 0.56 0.00 -1.26 -3.53 105.19 108.35 3i56 n GLY 226 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i56 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 227 N -2.80 0.83 3.54 -0.02 0.00 -0.54 -5.02 105.19 101.19 3i56 n GLY 227 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i56 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 228 N -3.26 3.41 0.61 4.61 0.00 -1.23 -4.30 121.76 121.59 3i56 s ALA 228 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 3i56 s ALA 228 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3i56 s ALA 228 CO 0.00 -1.53 1.11 -2.14 0.00 0.00 0.00 175.76 173.20 3i56 s PRO 229 N 2.71 3.08 0.00 0.00 0.02 -1.26 -4.05 135.00 135.51 3i56 s PRO 229 Ca 0.23 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3i56 s PRO 229 Cb -0.14 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3i56 s PRO 229 CO 0.17 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 3i56 n GLY 230 N -0.32 0.84 3.77 0.52 0.00 -1.26 -4.72 105.19 104.02 3i56 n GLY 230 Ca 0.11 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3i56 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i56 s ARG 231 N -1.95 4.16 -0.42 1.61 3.52 -1.23 -4.12 118.95 120.52 3i56 s ARG 231 Ca 0.00 0.44 -0.27 0.00 -0.13 0.00 0.00 55.73 55.77 3i56 s ARG 231 Cb 0.00 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3i56 s ARG 231 CO 0.00 0.41 1.96 -1.17 -0.81 0.00 0.00 175.30 175.69 3i56 s LEU 232 N -0.20 3.42 0.25 -0.88 2.96 -1.26 -4.78 118.68 118.19 3i56 s LEU 232 Ca 0.25 1.06 0.11 0.00 -0.22 0.00 0.00 54.13 55.33 3i56 s LEU 232 Cb -0.16 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 3i56 s LEU 232 CO 0.12 -2.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 172.02 3i56 s THR 233 N 8.51 2.85 -0.16 3.68 2.01 -1.26 -2.57 115.64 128.69 3i56 s THR 233 Ca 0.81 -2.12 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 3i56 s THR 233 Cb -0.20 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 69.87 3i56 s THR 233 CO 0.29 -0.32 -0.04 0.54 -0.69 0.00 0.00 174.62 174.40 3i56 s VAL 234 N -2.25 1.01 0.23 3.82 0.11 -0.44 -2.08 120.40 120.81 3i56 s VAL 234 Ca 0.29 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 3i56 s VAL 234 Cb -0.06 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3i56 s VAL 234 CO 0.16 0.13 0.42 -0.36 -3.33 0.00 0.00 175.10 172.12 3i56 s PHE 235 N 1.68 3.48 0.08 1.54 0.40 -0.34 -0.98 117.98 123.84 3i56 s PHE 235 Ca 0.01 0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.62 3i56 s PHE 235 Cb -0.15 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3i56 s PHE 235 CO -0.08 0.33 0.34 -0.08 0.70 0.00 0.00 175.22 176.44 3i56 s THR 236 N -1.95 5.19 0.27 0.64 -1.32 -0.79 -1.64 115.64 116.05 3i56 s THR 236 Ca 0.39 0.20 -0.05 0.00 -1.21 0.00 0.00 61.69 61.02 3i56 s THR 236 Cb -0.11 -3.61 0.36 0.00 -1.51 0.00 0.00 72.50 67.63 3i56 s THR 236 CO 0.30 0.23 1.60 -0.08 -2.21 0.00 0.00 174.62 174.45 3i56 h GLU 237 N 3.49 0.04 0.00 7.08 4.57 -1.67 0.24 114.58 128.34 3i56 h GLU 237 Ca -0.48 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 3i56 h GLU 237 Cb 1.18 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3i56 h GLU 237 CO 0.69 0.03 -0.47 0.77 -1.18 0.00 0.00 179.01 178.84 3i56 h SER 238 N 0.04 0.00 -0.13 1.04 0.02 -1.94 -3.11 113.55 109.47 3i56 h SER 238 Ca 0.48 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.30 3i56 h SER 238 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3i56 h SER 238 CO -0.84 0.47 -0.46 0.00 -1.14 0.00 0.00 176.83 174.86 3i56 h ALA 239 N 1.53 0.23 -0.66 3.77 0.00 -1.02 -2.17 119.26 120.94 3i56 h ALA 239 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.54 3i56 h ALA 239 Cb 1.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3i56 h ALA 239 CO 0.06 0.38 0.44 1.25 0.00 0.00 0.00 179.25 181.38 3i56 h LEU 240 N 0.16 0.38 0.00 0.00 6.46 -0.60 0.26 115.31 121.97 3i56 h LEU 240 Ca -0.02 0.01 -0.25 0.00 -0.12 0.00 0.00 57.88 57.50 3i56 h LEU 240 Cb 1.09 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 3i56 h LEU 240 CO 0.10 0.22 -1.38 0.00 -0.62 0.00 0.00 178.44 176.75 3i56 h ALA 241 N 1.67 0.60 0.00 1.25 0.00 -1.55 -3.34 119.26 117.89 3i56 h ALA 241 Ca 0.31 -1.19 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 3i56 h ALA 241 Cb 0.66 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i56 h ALA 241 CO -0.09 1.40 -0.36 1.49 0.00 0.00 0.00 179.25 181.69 3i56 h GLU 242 N 0.00 0.00 -0.00 0.00 4.81 -0.46 -3.18 114.58 115.76 3i56 h GLU 242 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3i56 h GLU 242 Cb 1.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.26 3i56 h GLU 242 CO 0.10 0.30 -0.00 1.55 -0.73 0.00 0.00 179.01 180.23 3i56 n VAL 243 N -3.16 0.00 -0.08 0.32 3.14 0.77 -3.76 118.33 115.56 3i56 n VAL 243 Ca 0.02 -0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.25 3i56 n VAL 243 Cb 0.66 -0.50 -0.04 0.00 -1.06 0.00 0.00 33.84 32.90 3i56 n VAL 243 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i56 h ALA 244 N 3.34 0.45 -0.22 1.55 0.00 -1.69 -3.19 119.26 119.50 3i56 h ALA 244 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i56 h ALA 244 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i56 h ALA 244 CO 0.00 0.65 0.00 0.39 0.00 0.00 0.00 179.25 180.29 3i56 n GLU 245 N -4.03 1.53 0.00 0.00 1.02 -1.25 -4.82 120.64 113.09 3i56 n GLU 245 Ca -0.04 -0.81 0.13 0.00 -0.02 0.00 0.00 57.16 56.42 3i56 n GLU 245 Cb 0.62 -1.19 0.78 0.00 -0.02 0.00 0.00 31.44 31.64 3i56 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85