#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 n GLU 5 N 0.00 0.00 -3.68 0.00 1.02 -1.26 -5.05 120.64 111.67 3i56 n GLU 5 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3i56 n GLU 5 Cb 0.00 -0.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.79 3i56 n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3i56 s PHE 6 N 0.00 0.46 -0.91 -0.32 5.36 -1.26 -5.06 117.98 116.24 3i56 s PHE 6 Ca 0.00 -0.31 -0.22 0.00 -0.96 0.00 0.00 56.93 55.45 3i56 s PHE 6 Cb 0.00 -0.75 -0.12 0.00 -0.34 0.00 0.00 43.02 41.80 3i56 s PHE 6 CO 0.00 -0.44 1.94 -3.47 -1.46 0.00 0.00 175.22 171.79 3i56 n ASP 7 N 5.20 2.80 -4.74 6.13 -0.08 -1.26 -4.94 116.55 119.66 3i56 n ASP 7 Ca -0.07 -2.70 -0.40 0.00 -1.51 0.00 0.00 54.79 50.11 3i56 n ASP 7 Cb 0.49 -1.29 -0.05 0.00 2.34 0.00 0.00 41.12 42.60 3i56 n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i56 s ALA 8 N 6.05 3.31 -0.11 -1.67 0.00 -1.26 -4.88 121.76 123.20 3i56 s ALA 8 Ca 0.59 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3i56 s ALA 8 Cb 0.11 -3.24 -0.27 0.00 0.00 0.00 0.00 23.12 19.72 3i56 s ALA 8 CO 0.11 0.11 0.55 -0.44 0.00 0.00 0.00 175.76 176.09 3i56 h ASP 9 N 4.61 0.33 -4.20 0.00 5.19 -1.10 -3.47 116.42 117.78 3i56 h ASP 9 Ca -0.44 -0.84 -0.67 0.00 -0.62 0.00 0.00 57.03 54.46 3i56 h ASP 9 Cb 1.20 -0.11 -0.31 0.00 0.18 0.00 0.00 39.33 40.30 3i56 h ASP 9 CO 0.69 1.56 -0.88 -0.69 -3.12 0.00 0.00 179.24 176.81 3i56 s VAL 10 N -2.45 1.94 -0.20 -1.35 1.01 -1.07 -5.01 120.40 113.27 3i56 s VAL 10 Ca -0.20 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.77 3i56 s VAL 10 Cb 0.04 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3i56 s VAL 10 CO 0.75 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 175.64 3i56 s ILE 11 N -0.29 1.81 -0.14 2.22 1.01 -1.26 -2.00 121.20 122.55 3i56 s ILE 11 Ca 0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 3i56 s ILE 11 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3i56 s ILE 11 CO 0.02 0.21 0.08 -0.69 0.00 0.00 0.00 174.94 174.57 3i56 s VAL 12 N 1.33 5.01 -0.38 2.92 1.01 -0.11 -1.32 120.40 128.87 3i56 s VAL 12 Ca -0.01 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 3i56 s VAL 12 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3i56 s VAL 12 CO -0.09 0.55 0.37 -0.62 0.00 0.00 0.00 175.10 175.32 3i56 s ASP 13 N -0.47 6.17 0.00 3.32 3.68 -0.51 -0.19 116.67 128.67 3i56 s ASP 13 Ca 0.11 -0.47 0.29 0.00 2.13 0.00 0.00 52.55 54.60 3i56 s ASP 13 Cb -0.12 -2.20 1.23 0.00 -1.45 0.00 0.00 42.92 40.38 3i56 s ASP 13 CO 0.02 -0.42 1.89 0.00 0.13 0.00 0.00 175.17 176.79 3i56 n ALA 14 N 5.40 2.57 -1.66 3.66 0.00 0.26 -4.66 120.51 126.09 3i56 n ALA 14 Ca -0.09 -0.16 -0.47 0.00 0.00 0.00 0.00 53.44 52.72 3i56 n ALA 14 Cb 0.48 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 3i56 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i56 n ARG 15 N -1.37 2.26 -1.98 0.00 0.63 -1.25 -1.22 116.66 113.74 3i56 n ARG 15 Ca 0.10 0.81 -0.18 0.00 -0.92 0.00 0.00 57.85 57.66 3i56 n ARG 15 Cb 0.30 -2.75 -0.04 0.00 0.45 0.00 0.00 32.46 30.42 3i56 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i56 n ASP 16 N 7.32 -5.22 -4.57 6.15 9.92 -0.88 -4.95 116.55 124.32 3i56 n ASP 16 Ca 0.23 0.19 -0.32 0.00 -0.53 0.00 0.00 54.79 54.36 3i56 n ASP 16 Cb 0.32 -4.30 -0.11 0.00 -0.64 0.00 0.00 41.12 36.40 3i56 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i56 s ILE 18 N -0.94 3.64 0.16 0.00 1.01 0.63 -1.26 121.20 124.44 3i56 s ILE 18 Ca 0.16 0.60 -0.18 0.00 0.00 0.00 0.00 60.65 61.23 3i56 s ILE 18 Cb -0.11 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.43 3i56 s ILE 18 CO 0.06 -0.74 1.21 0.80 0.00 0.00 0.00 174.94 176.27 3i56 n MET 19 N 8.49 -0.26 -0.30 2.79 0.00 0.02 -1.70 117.12 126.17 3i56 n MET 19 Ca 0.19 1.19 -0.04 0.00 -0.00 0.00 0.00 57.70 59.03 3i56 n MET 19 Cb 0.48 -1.76 0.07 0.00 0.00 0.00 0.00 33.22 32.02 3i56 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3i56 h GLY 20 N 0.00 1.19 1.63 -5.12 0.00 -1.91 -0.17 103.07 98.69 3i56 h GLY 20 Ca 0.21 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3i56 h GLY 20 CO -0.76 0.47 -0.26 3.21 0.00 0.00 0.00 176.54 179.21 3i56 h ARG 21 N 1.13 0.43 0.02 4.80 3.08 -1.73 -0.49 114.38 121.62 3i56 h ARG 21 Ca 0.30 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3i56 h ARG 21 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3i56 h ARG 21 CO -0.06 0.66 -0.01 0.28 -1.07 0.00 0.00 179.97 179.77 3i56 h VAL 22 N 0.38 1.43 -0.82 2.04 2.07 -1.07 -3.15 116.25 117.14 3i56 h VAL 22 Ca 0.06 -1.46 0.11 0.00 0.82 0.00 0.00 66.70 66.23 3i56 h VAL 22 Cb 0.66 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 3i56 h VAL 22 CO 0.05 0.37 0.53 0.00 0.02 0.00 0.00 177.57 178.54 3i56 h ALA 23 N 0.28 1.79 -0.13 1.67 0.00 -0.82 0.87 119.26 122.92 3i56 h ALA 23 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3i56 h ALA 23 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3i56 h ALA 23 CO 0.00 0.02 -0.31 1.03 0.00 0.00 0.00 179.25 180.00 3i56 h SER 24 N 0.71 0.25 0.46 0.00 0.87 -1.13 -1.26 113.55 113.45 3i56 h SER 24 Ca 0.39 -0.09 -0.30 0.00 -1.23 0.00 0.00 61.79 60.56 3i56 h SER 24 Cb 0.53 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3i56 h SER 24 CO -0.16 0.56 -1.54 1.56 -0.53 0.00 0.00 176.83 176.72 3i56 h GLN 25 N 0.22 0.22 0.00 2.24 4.20 -1.09 -3.05 115.11 117.85 3i56 h GLN 25 Ca 0.03 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 3i56 h GLN 25 Cb 0.66 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3i56 h GLN 25 CO 0.05 1.07 -0.18 0.28 -0.67 0.00 0.00 178.83 179.38 3i56 h VAL 26 N 0.06 0.54 0.01 -0.54 2.07 -0.74 -1.71 116.25 115.95 3i56 h VAL 26 Ca -0.24 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3i56 h VAL 26 Cb 2.01 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3i56 h VAL 26 CO 0.15 0.17 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 3i56 h ALA 27 N 1.82 -0.02 -0.64 1.67 0.00 -1.31 -2.48 119.26 118.30 3i56 h ALA 27 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3i56 h ALA 27 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3i56 h ALA 27 CO 0.02 -0.07 0.42 1.49 0.00 0.00 0.00 179.25 181.12 3i56 h GLU 28 N -0.90 0.64 0.04 0.00 4.57 -1.41 -1.67 114.58 115.85 3i56 h GLU 28 Ca -0.00 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.92 3i56 h GLU 28 Cb 0.81 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3i56 h GLU 28 CO 0.00 0.42 -1.03 1.96 -1.18 0.00 0.00 179.01 179.19 3i56 h GLN 29 N 0.66 0.11 -0.01 1.92 4.20 -1.41 -2.95 115.11 117.63 3i56 h GLN 29 Ca 0.27 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3i56 h GLN 29 Cb 0.24 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3i56 h GLN 29 CO -0.08 1.03 -0.48 0.00 -0.67 0.00 0.00 178.83 178.63 3i56 h ALA 30 N 0.90 1.17 -0.00 3.87 0.00 -0.85 -1.42 119.26 122.93 3i56 h ALA 30 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i56 h ALA 30 Cb 1.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3i56 h ALA 30 CO 0.15 0.61 -0.19 1.28 0.00 0.00 0.00 179.25 181.10 3i56 n LEU 31 N -3.96 0.41 -1.33 0.00 4.77 -0.72 -3.04 117.00 113.12 3i56 n LEU 31 Ca -0.02 0.10 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3i56 n LEU 31 Cb 0.51 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.64 3i56 n LEU 31 CO 0.41 0.08 0.77 0.47 -1.33 0.00 0.00 177.39 177.79 3i56 n ASP 32 N -1.18 4.14 0.00 -1.43 9.92 -0.71 -4.95 116.55 122.33 3i56 n ASP 32 Ca 0.11 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.16 3i56 n ASP 32 Cb 0.31 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3i56 n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i56 n GLY 33 N 1.22 0.57 3.83 0.44 0.00 -1.14 -5.05 105.19 105.07 3i56 n GLY 33 Ca 0.23 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3i56 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 34 N -0.46 4.09 -0.69 1.61 0.41 -0.62 -5.02 118.70 118.03 3i56 s GLU 34 Ca 0.00 0.66 -0.13 0.00 -0.41 0.00 0.00 54.97 55.09 3i56 s GLU 34 Cb 0.00 -2.86 0.18 0.00 -1.78 0.00 0.00 34.13 29.66 3i56 s GLU 34 CO 0.00 0.41 0.62 0.99 -0.49 0.00 0.00 175.26 176.79 3i56 s THR 35 N -1.54 5.19 0.35 3.63 2.01 -1.26 -4.33 115.64 119.68 3i56 s THR 35 Ca 0.41 -2.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.17 3i56 s THR 35 Cb -0.15 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 3i56 s THR 35 CO 0.20 -0.94 0.69 -0.69 -0.69 0.00 0.00 174.62 173.18 3i56 s VAL 36 N 0.70 4.85 -0.09 3.82 1.01 -1.04 -0.41 120.40 129.24 3i56 s VAL 36 Ca 0.12 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 3i56 s VAL 36 Cb -0.19 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.54 3i56 s VAL 36 CO -0.04 -0.38 0.14 0.00 0.00 0.00 0.00 175.10 174.82 3i56 s ALA 37 N -2.19 -0.03 -0.16 5.51 0.00 -0.85 -2.90 121.76 121.15 3i56 s ALA 37 Ca 0.49 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3i56 s ALA 37 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3i56 s ALA 37 CO 0.28 -0.66 0.44 0.08 0.00 0.00 0.00 175.76 175.90 3i56 s VAL 38 N 2.25 5.19 0.15 0.00 1.01 -0.53 -0.94 120.40 127.55 3i56 s VAL 38 Ca 0.04 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.93 3i56 s VAL 38 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3i56 s VAL 38 CO -0.06 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.51 3i56 s VAL 39 N 0.99 3.05 -1.30 2.92 1.01 0.73 -0.46 120.40 127.34 3i56 s VAL 39 Ca 0.22 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 3i56 s VAL 39 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3i56 s VAL 39 CO 0.09 -0.03 0.88 0.59 0.00 0.00 0.00 175.10 176.63 3i56 n ASN 40 N 0.34 -2.34 0.11 3.32 3.02 0.38 -0.57 115.26 119.52 3i56 n ASN 40 Ca -0.12 -0.72 0.12 0.00 -0.03 0.00 0.00 54.58 53.82 3i56 n ASN 40 Cb 0.54 -4.50 0.46 0.00 -0.61 0.00 0.00 39.78 35.67 3i56 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i56 n ALA 41 N -4.34 1.92 0.13 5.41 0.00 -1.19 -2.30 120.51 120.14 3i56 n ALA 41 Ca -0.23 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 3i56 n ALA 41 Cb 0.65 -1.41 0.14 0.00 0.00 0.00 0.00 19.45 18.83 3i56 n ALA 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i56 h GLU 42 N 0.00 0.00 -0.63 0.00 9.09 -1.86 -2.93 114.58 118.24 3i56 h GLU 42 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i56 h GLU 42 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3i56 h GLU 42 CO 0.00 0.64 0.00 0.54 0.05 0.00 0.00 179.01 180.24 3i56 n ARG 43 N -3.69 4.17 -2.50 1.06 1.74 -0.97 -1.56 116.66 114.92 3i56 n ARG 43 Ca -0.01 -2.78 -0.32 0.00 -0.77 0.00 0.00 57.85 53.97 3i56 n ARG 43 Cb 0.65 -2.07 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 3i56 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i56 s ALA 44 N -2.31 3.09 0.14 7.54 0.00 -1.11 -2.06 121.76 127.04 3i56 s ALA 44 Ca 0.49 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.72 3i56 s ALA 44 Cb 0.35 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3i56 s ALA 44 CO 0.18 -0.16 -0.15 0.08 0.00 0.00 0.00 175.76 175.71 3i56 s VAL 45 N -2.53 2.98 -0.08 0.00 1.01 -0.39 -1.37 120.40 120.01 3i56 s VAL 45 Ca 0.59 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3i56 s VAL 45 Cb -0.10 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.92 3i56 s VAL 45 CO 0.28 0.03 0.15 -0.51 0.00 0.00 0.00 175.10 175.06 3i56 s ILE 46 N -1.34 -0.25 0.41 2.22 2.07 -0.83 -0.80 121.20 122.69 3i56 s ILE 46 Ca 0.20 0.36 -0.18 0.00 -1.41 0.00 0.00 60.65 59.62 3i56 s ILE 46 Cb -0.10 -0.28 -0.10 0.00 0.13 0.00 0.00 42.46 42.11 3i56 s ILE 46 CO 0.12 0.15 0.88 0.42 -1.91 0.00 0.00 174.94 174.60 3i56 s THR 47 N 2.26 4.52 -2.41 4.00 -4.23 -1.26 -1.22 115.64 117.29 3i56 s THR 47 Ca 0.03 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 3i56 s THR 47 Cb -0.12 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.09 3i56 s THR 47 CO -0.06 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 3i56 n GLY 48 N -0.76 0.63 3.63 3.99 0.00 -0.05 -4.94 105.19 107.69 3i56 n GLY 48 Ca 0.06 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3i56 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i56 s ARG 49 N -0.97 4.00 0.25 1.61 3.52 -1.26 -3.15 118.95 122.95 3i56 s ARG 49 Ca 0.00 0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 56.41 3i56 s ARG 49 Cb 0.00 -3.75 0.50 0.00 -1.56 0.00 0.00 34.95 30.14 3i56 s ARG 49 CO 0.00 -0.86 1.64 1.49 -0.81 0.00 0.00 175.30 176.76 3i56 h GLU 50 N 8.18 0.13 -0.79 5.12 4.81 -1.93 -1.93 114.58 128.17 3i56 h GLU 50 Ca -0.22 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3i56 h GLU 50 Cb 1.07 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 3i56 h GLU 50 CO 0.99 0.09 0.39 0.93 -0.73 0.00 0.00 179.01 180.67 3i56 h GLU 51 N 0.14 0.58 0.10 1.92 3.07 -2.00 -0.89 114.58 117.49 3i56 h GLU 51 Ca 0.44 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 59.02 3i56 h GLU 51 Cb 0.81 -0.13 0.03 0.00 -0.84 0.00 0.00 28.75 28.61 3i56 h GLU 51 CO -0.66 0.38 -1.04 -0.56 -1.40 0.00 0.00 179.01 175.74 3i56 h GLN 52 N 0.59 0.53 -0.81 2.33 -0.00 -1.78 -2.89 115.11 113.08 3i56 h GLN 52 Ca 0.42 -0.70 0.07 0.00 -0.00 0.00 0.00 58.65 58.43 3i56 h GLN 52 Cb 0.54 0.23 -0.06 0.00 -0.00 0.00 0.00 27.48 28.19 3i56 h GLN 52 CO -0.34 1.30 0.49 0.82 -0.00 0.00 0.00 178.83 181.11 3i56 h ILE 53 N 0.08 1.01 -0.53 1.86 2.04 -1.09 -0.95 117.51 119.94 3i56 h ILE 53 Ca -0.16 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3i56 h ILE 53 Cb 1.75 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3i56 h ILE 53 CO 0.20 0.16 0.05 0.58 0.00 0.00 0.00 178.15 179.14 3i56 h VAL 54 N 0.88 1.26 -0.50 1.67 2.07 -1.23 -2.71 116.25 117.69 3i56 h VAL 54 Ca 0.36 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3i56 h VAL 54 Cb 0.20 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3i56 h VAL 54 CO -0.18 0.36 0.22 -0.33 0.02 0.00 0.00 177.57 177.66 3i56 h GLU 55 N 0.77 0.71 -0.38 1.57 5.08 -1.04 0.48 114.58 121.77 3i56 h GLU 55 Ca 0.15 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3i56 h GLU 55 Cb 0.46 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i56 h GLU 55 CO 0.02 0.57 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.09 3i56 h LYS 56 N 0.71 0.82 0.09 2.33 3.64 -0.97 -2.23 116.57 120.96 3i56 h LYS 56 Ca 0.17 -0.37 -0.26 0.00 -1.27 0.00 0.00 60.65 58.92 3i56 h LYS 56 Cb 0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3i56 h LYS 56 CO -0.02 1.00 -1.21 1.88 -2.27 0.00 0.00 179.45 178.83 3i56 h TYR 57 N 0.70 0.35 -0.04 1.91 -1.99 -1.08 -3.05 116.97 113.76 3i56 h TYR 57 Ca 0.08 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.46 3i56 h TYR 57 Cb 0.83 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 3i56 h TYR 57 CO 0.05 1.21 -0.39 0.93 -0.00 0.00 0.00 178.16 179.95 3i56 h GLU 58 N 0.05 0.09 -0.23 4.88 5.08 -0.01 -2.55 114.58 121.90 3i56 h GLU 58 Ca -0.11 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 3i56 h GLU 58 Cb 1.92 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3i56 h GLU 58 CO 0.18 0.48 -0.58 -0.22 -1.00 0.00 0.00 179.01 177.86 3i56 h LYS 59 N 0.08 0.80 0.00 2.33 1.63 -1.46 -2.53 116.57 117.41 3i56 h LYS 59 Ca 0.01 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.24 3i56 h LYS 59 Cb 0.74 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.45 3i56 h LYS 59 CO 0.05 1.18 -0.06 0.00 -3.45 0.00 0.00 179.45 177.17 3i56 h ARG 60 N 0.54 0.00 0.13 1.90 3.08 -1.36 0.54 114.38 119.22 3i56 h ARG 60 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 3i56 h ARG 60 Cb 1.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.27 3i56 h ARG 60 CO 0.13 0.06 -0.92 0.28 -1.07 0.00 0.00 179.97 178.45 3i56 h VAL 61 N 0.00 1.42 0.00 2.04 2.07 -1.34 -3.33 116.25 117.11 3i56 h VAL 61 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3i56 h VAL 61 Cb 0.20 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3i56 h VAL 61 CO 0.01 0.71 0.00 0.44 0.02 0.00 0.00 177.57 178.75 3i56 h ASP 62 N -0.37 0.00 -3.66 0.57 3.32 -0.85 -3.44 116.42 111.99 3i56 h ASP 62 Ca -0.17 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.37 3i56 h ASP 62 Cb 1.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 3i56 h ASP 62 CO 0.13 0.00 0.43 -0.63 -1.72 0.00 0.00 179.24 177.45 3i56 s ILE 63 N -3.36 3.92 0.00 0.35 1.01 0.08 -4.97 121.20 118.24 3i56 s ILE 63 Ca 0.05 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3i56 s ILE 63 Cb 0.09 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3i56 s ILE 63 CO 0.48 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.39 3i56 n GLY 64 N 1.76 -0.52 0.00 6.18 0.00 -1.26 -4.59 105.19 106.75 3i56 n GLY 64 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3i56 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i56 n ASN 65 N 0.00 0.00 0.08 1.61 0.23 -1.26 -4.96 115.26 110.96 3i56 n ASN 65 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 3i56 n ASN 65 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 3i56 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3i56 h ASP 66 N 0.00 0.34 -0.25 0.53 5.19 -2.04 -3.05 116.42 117.14 3i56 h ASP 66 Ca 0.00 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.03 3i56 h ASP 66 Cb 0.00 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3i56 h ASP 66 CO 0.00 1.03 -0.29 -1.13 -3.12 0.00 0.00 179.24 175.73 3i56 h ASN 67 N 0.16 0.78 -4.53 6.45 -0.73 -2.05 -3.49 115.58 112.17 3i56 h ASN 67 Ca -0.04 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 57.82 3i56 h ASN 67 Cb 1.44 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.82 3i56 h ASN 67 CO 0.13 1.02 0.00 0.61 -0.37 0.00 0.00 177.43 178.82 3i56 n GLY 68 N -0.12 -0.05 2.89 1.57 0.00 -1.15 -5.00 105.19 103.32 3i56 n GLY 68 Ca -0.01 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3i56 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i56 s TYR 69 N -2.83 -0.83 -0.67 1.61 5.04 -1.26 -4.76 117.35 113.65 3i56 s TYR 69 Ca 0.00 -0.06 -0.24 0.00 -2.44 0.00 0.00 57.07 54.33 3i56 s TYR 69 Cb 0.00 -0.21 0.06 0.00 0.35 0.00 0.00 41.96 42.16 3i56 s TYR 69 CO 0.00 -1.00 1.05 0.12 -1.34 0.00 0.00 175.55 174.38 3i56 s PHE 70 N 2.13 2.58 -0.20 4.97 5.36 -1.26 -4.81 117.98 126.75 3i56 s PHE 70 Ca 0.12 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.68 3i56 s PHE 70 Cb -0.12 -4.36 -0.03 0.00 -0.34 0.00 0.00 43.02 38.17 3i56 s PHE 70 CO -0.20 -1.74 0.01 -0.47 -1.46 0.00 0.00 175.22 171.36 3i56 s TYR 71 N 4.51 3.05 0.45 10.12 5.04 -1.26 -5.09 117.35 134.17 3i56 s TYR 71 Ca 0.26 -0.42 -0.24 0.00 -2.44 0.00 0.00 57.07 54.24 3i56 s TYR 71 Cb -0.14 -2.08 -0.08 0.00 0.35 0.00 0.00 41.96 40.01 3i56 s TYR 71 CO 0.12 -0.21 1.19 -1.25 -1.34 0.00 0.00 175.55 174.06 3i56 s PRO 72 N 0.96 3.79 -0.21 4.97 0.04 -1.26 -4.87 135.00 138.41 3i56 s PRO 72 Ca 0.02 1.86 0.10 0.00 0.04 0.00 0.00 61.00 63.01 3i56 s PRO 72 Cb -0.14 -2.48 -0.22 0.00 0.04 0.00 0.00 34.50 31.70 3i56 s PRO 72 CO 0.02 -0.55 -0.02 1.63 0.04 0.00 0.00 177.00 178.12 3i56 n LYS 73 N -0.36 0.67 -2.38 4.56 5.02 -1.26 -4.66 118.16 119.76 3i56 n LYS 73 Ca 0.07 0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 3i56 n LYS 73 Cb 0.47 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3i56 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i56 s ARG 74 N -2.51 3.69 0.06 1.97 0.52 -1.26 -4.32 118.95 117.10 3i56 s ARG 74 Ca -0.20 1.57 0.15 0.00 -0.52 0.00 0.00 55.73 56.73 3i56 s ARG 74 Cb 0.07 -2.20 0.64 0.00 0.52 0.00 0.00 34.95 33.98 3i56 s ARG 74 CO 0.73 -0.57 1.47 -0.35 0.02 0.00 0.00 175.30 176.61 3i56 n PRO 75 N -0.84 0.04 0.19 3.54 -0.04 -1.26 -2.02 135.00 134.61 3i56 n PRO 75 Ca 0.09 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.80 3i56 n PRO 75 Cb 0.50 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3i56 n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3i56 h ASP 76 N 0.00 -0.41 0.55 3.54 1.82 -1.91 -3.12 116.42 116.88 3i56 h ASP 76 Ca 0.00 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 3i56 h ASP 76 Cb 0.24 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 3i56 h ASP 76 CO 0.00 -0.23 -0.53 1.23 -1.61 0.00 0.00 179.24 178.10 3i56 h GLY 77 N -0.61 0.00 1.01 -0.78 0.00 -1.90 -3.00 103.07 97.79 3i56 h GLY 77 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3i56 h GLY 77 CO 0.08 0.00 0.56 -2.22 0.00 0.00 0.00 176.54 174.97 3i56 h ILE 78 N 0.00 1.22 -0.10 2.60 2.04 -1.49 0.46 117.51 122.24 3i56 h ILE 78 Ca -0.01 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 3i56 h ILE 78 Cb 0.95 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3i56 h ILE 78 CO 0.07 0.21 -0.68 0.15 0.00 0.00 0.00 178.15 177.90 3i56 h PHE 79 N 1.16 0.57 -0.41 1.37 -0.00 -1.51 -2.07 116.94 116.05 3i56 h PHE 79 Ca 0.31 -0.24 -0.09 0.00 -0.00 0.00 0.00 57.97 57.96 3i56 h PHE 79 Cb -0.13 -0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 35.71 3i56 h PHE 79 CO -0.01 0.98 -0.09 -0.22 -0.00 0.00 0.00 178.31 178.96 3i56 h LYS 80 N 0.30 0.72 -0.02 1.11 1.63 -1.28 -1.91 116.57 117.12 3i56 h LYS 80 Ca -0.02 -0.23 -0.17 0.00 -0.85 0.00 0.00 60.65 59.38 3i56 h LYS 80 Cb 1.24 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 3i56 h LYS 80 CO 0.12 0.80 -0.76 -0.09 -3.45 0.00 0.00 179.45 176.07 3i56 h ARG 81 N 0.66 0.14 -0.51 1.90 9.65 -0.75 -2.08 114.38 123.40 3i56 h ARG 81 Ca 0.12 -0.13 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 3i56 h ARG 81 Cb 0.55 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 3i56 h ARG 81 CO 0.03 0.83 -0.16 1.15 2.80 0.00 0.00 179.97 184.63 3i56 h THR 82 N 0.09 1.27 -0.44 0.20 2.02 -1.00 -1.56 112.91 113.49 3i56 h THR 82 Ca -0.02 -1.32 -0.12 0.00 0.77 0.00 0.00 66.41 65.72 3i56 h THR 82 Cb 1.33 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3i56 h THR 82 CO 0.11 0.46 -0.19 0.40 0.37 0.00 0.00 175.52 176.67 3i56 h ILE 83 N 0.88 1.27 0.00 3.11 2.04 -1.24 -2.11 117.51 121.46 3i56 h ILE 83 Ca 0.13 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 3i56 h ILE 83 Cb 0.73 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3i56 h ILE 83 CO 0.06 0.45 -0.15 -0.09 0.00 0.00 0.00 178.15 178.42 3i56 h ARG 84 N 0.76 0.00 0.00 2.37 2.43 -1.05 -1.15 114.38 117.74 3i56 h ARG 84 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3i56 h ARG 84 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3i56 h ARG 84 CO 0.06 0.15 0.00 0.78 -1.51 0.00 0.00 179.97 179.44 3i56 h GLY 85 N 0.54 0.00 -1.99 2.80 0.00 -0.57 -2.81 103.07 101.04 3i56 h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i56 h GLY 85 CO 0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.59 3i56 n MET 86 N -3.00 2.68 -4.48 4.80 2.81 -0.45 -4.97 117.12 114.52 3i56 n MET 86 Ca 0.01 -2.31 -0.21 0.00 -1.81 0.00 0.00 57.70 53.38 3i56 n MET 86 Cb 0.34 -1.42 -0.14 0.00 -0.71 0.00 0.00 33.22 31.29 3i56 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i56 s LEU 87 N -1.04 2.13 -1.56 4.03 1.43 -1.06 -4.91 118.68 117.70 3i56 s LEU 87 Ca 0.36 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3i56 s LEU 87 Cb 0.19 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 3i56 s LEU 87 CO 0.25 0.09 2.68 -0.81 0.23 0.00 0.00 176.35 178.80 3i56 n PRO 88 N 2.13 3.45 0.00 1.29 -0.04 -1.26 -4.79 135.00 135.79 3i56 n PRO 88 Ca -0.17 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 3i56 n PRO 88 Cb 0.55 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 3i56 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3i56 n HIS 89 N 4.36 0.00 0.42 0.54 1.44 -1.26 -1.46 115.22 119.26 3i56 n HIS 89 Ca 0.69 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.51 3i56 n HIS 89 Cb 0.29 -0.33 0.01 0.00 0.12 0.00 0.00 29.99 30.07 3i56 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i56 n LYS 90 N -1.32 0.39 -3.28 -1.40 4.76 -1.26 -4.24 118.16 111.81 3i56 n LYS 90 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3i56 n LYS 90 Cb 0.12 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 3i56 n LYS 90 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3i56 s LYS 91 N -3.26 3.63 0.16 1.97 1.02 -0.54 -4.97 119.74 117.76 3i56 s LYS 91 Ca 0.02 0.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 3i56 s LYS 91 Cb 0.13 -2.62 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 3i56 s LYS 91 CO 0.81 0.18 1.76 0.37 -0.92 0.00 0.00 175.35 177.54 3i56 h GLN 92 N 1.55 0.30 -0.44 1.68 4.15 -1.91 -0.87 115.11 119.56 3i56 h GLN 92 Ca -0.48 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 58.86 3i56 h GLN 92 Cb 1.19 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3i56 h GLN 92 CO 0.65 0.20 0.00 -0.09 -1.93 0.00 0.00 178.83 177.67 3i56 h ARG 93 N 0.31 0.72 0.00 1.69 2.43 -1.95 -2.67 114.38 114.91 3i56 h ARG 93 Ca 0.17 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 3i56 h ARG 93 Cb 0.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3i56 h ARG 93 CO -0.17 0.73 -0.85 0.78 -1.51 0.00 0.00 179.97 178.96 3i56 h GLY 94 N 0.95 0.07 1.54 2.80 0.00 -1.60 -2.85 103.07 103.98 3i56 h GLY 94 Ca 0.14 -0.13 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 3i56 h GLY 94 CO 0.02 0.11 -0.79 -0.09 0.00 0.00 0.00 176.54 175.79 3i56 h ARG 95 N 0.03 0.44 -0.67 4.80 2.43 -0.99 -1.97 114.38 118.45 3i56 h ARG 95 Ca -0.02 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 3i56 h ARG 95 Cb 1.48 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.09 3i56 h ARG 95 CO 0.12 1.03 0.12 0.93 -1.51 0.00 0.00 179.97 180.66 3i56 h GLU 96 N 0.29 1.11 -0.26 0.20 5.08 -1.51 -0.83 114.58 118.66 3i56 h GLU 96 Ca -0.04 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 3i56 h GLU 96 Cb 1.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3i56 h GLU 96 CO 0.14 1.00 -0.01 0.00 -1.00 0.00 0.00 179.01 179.14 3i56 h ALA 97 N 1.06 0.36 -0.41 3.43 0.00 -1.45 -2.02 119.26 120.23 3i56 h ALA 97 Ca 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i56 h ALA 97 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i56 h ALA 97 CO 0.01 0.11 0.07 0.35 0.00 0.00 0.00 179.25 179.79 3i56 h PHE 98 N 0.25 0.72 0.00 0.00 3.57 -1.25 -2.63 116.94 117.61 3i56 h PHE 98 Ca 0.07 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3i56 h PHE 98 Cb 0.44 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3i56 h PHE 98 CO 0.04 0.70 0.00 0.93 -2.23 0.00 0.00 178.31 177.75 3i56 h GLU 99 N 0.53 0.00 -0.65 1.11 5.08 -1.12 -2.04 114.58 117.49 3i56 h GLU 99 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i56 h GLU 99 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3i56 h GLU 99 CO 0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3i56 n SER 100 N -2.43 4.46 -3.96 1.42 3.41 -0.76 -4.77 113.62 110.99 3i56 n SER 100 Ca 0.02 -2.60 -0.23 0.00 -0.26 0.00 0.00 58.87 55.80 3i56 n SER 100 Cb 0.28 -0.60 -0.17 0.00 -0.26 0.00 0.00 64.21 63.47 3i56 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i56 s VAL 101 N -2.18 0.88 -0.03 -3.33 1.01 -0.77 -2.51 120.40 113.49 3i56 s VAL 101 Ca 0.43 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3i56 s VAL 101 Cb 0.31 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.85 3i56 s VAL 101 CO 0.15 0.31 -0.03 -0.13 0.00 0.00 0.00 175.10 175.40 3i56 s ARG 102 N 0.89 0.53 -0.04 2.72 0.52 -1.14 -4.94 118.95 117.49 3i56 s ARG 102 Ca -0.11 -0.07 -0.08 0.00 -0.52 0.00 0.00 55.73 54.95 3i56 s ARG 102 Cb -0.15 -0.58 -0.05 0.00 0.52 0.00 0.00 34.95 34.69 3i56 s ARG 102 CO 0.01 -0.04 0.25 0.08 0.02 0.00 0.00 175.30 175.62 3i56 s VAL 103 N 0.62 5.33 0.03 3.52 1.01 -1.26 -1.45 120.40 128.19 3i56 s VAL 103 Ca -0.07 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.24 3i56 s VAL 103 Cb -0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3i56 s VAL 103 CO -0.00 0.49 -0.11 -0.31 0.00 0.00 0.00 175.10 175.17 3i56 s TYR 104 N -1.17 0.94 -0.20 5.22 1.51 0.39 -4.93 117.35 119.11 3i56 s TYR 104 Ca 0.22 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 3i56 s TYR 104 Cb -0.13 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 3i56 s TYR 104 CO 0.11 -0.00 0.88 -0.51 -1.11 0.00 0.00 175.55 174.92 3i56 s LEU 105 N -1.04 4.13 0.00 -1.29 1.43 -1.26 -3.05 118.68 117.60 3i56 s LEU 105 Ca -0.01 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3i56 s LEU 105 Cb -0.07 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.86 3i56 s LEU 105 CO 0.01 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.71 3i56 n GLY 106 N 3.52 -0.33 2.69 -3.19 0.00 -1.26 -4.64 105.19 101.98 3i56 n GLY 106 Ca 0.06 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 3i56 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i56 s ASN 107 N -4.00 3.84 0.00 1.61 3.04 -1.26 -0.47 114.94 117.69 3i56 s ASN 107 Ca 0.00 -1.79 0.31 0.00 0.04 0.00 0.00 52.86 51.41 3i56 s ASN 107 Cb 0.00 -0.80 1.62 0.00 -1.54 0.00 0.00 41.25 40.53 3i56 s ASN 107 CO 0.00 -0.39 2.07 -0.81 -3.04 0.00 0.00 177.10 174.93 3i56 n PRO 108 N 4.63 1.22 -2.26 0.43 -0.04 -1.26 -4.88 135.00 132.84 3i56 n PRO 108 Ca 0.00 -0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 62.93 3i56 n PRO 108 Cb 0.40 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.49 3i56 n PRO 108 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i56 n TYR 109 N -0.61 -3.16 -0.10 0.54 4.02 -1.26 -5.04 117.16 111.54 3i56 n TYR 109 Ca 0.22 -1.50 -0.22 0.00 -0.01 0.00 0.00 57.90 56.40 3i56 n TYR 109 Cb 0.19 -0.70 -0.12 0.00 -0.02 0.00 0.00 39.34 38.69 3i56 n TYR 109 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i56 n ASP 110 N -3.06 1.99 -4.79 7.72 8.00 -1.26 -4.97 116.55 120.18 3i56 n ASP 110 Ca 0.15 0.10 -0.33 0.00 0.71 0.00 0.00 54.79 55.42 3i56 n ASP 110 Cb 0.53 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3i56 n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i56 s GLU 111 N -2.51 3.25 0.18 -1.24 2.02 -1.26 -5.04 118.70 114.09 3i56 s GLU 111 Ca -0.33 1.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.83 3i56 s GLU 111 Cb 0.10 -2.02 -0.07 0.00 0.10 0.00 0.00 34.13 32.24 3i56 s GLU 111 CO 0.61 -0.88 0.60 -0.51 0.02 0.00 0.00 175.26 175.10 3i56 s ASP 112 N -2.49 6.88 0.54 -0.19 1.11 -1.26 -5.02 116.67 116.23 3i56 s ASP 112 Ca 0.66 1.17 -0.16 0.00 0.18 0.00 0.00 52.55 54.40 3i56 s ASP 112 Cb -0.18 -2.32 -0.07 0.00 1.07 0.00 0.00 42.92 41.42 3i56 s ASP 112 CO 0.35 0.06 1.00 -0.83 1.18 0.00 0.00 175.17 176.93 3i56 s GLY 113 N -1.75 2.03 0.15 0.21 0.00 -1.26 -5.00 107.32 101.69 3i56 s GLY 113 Ca 0.40 0.18 -0.17 0.00 0.00 0.00 0.00 44.72 45.13 3i56 s GLY 113 CO 0.20 0.46 0.60 -1.83 0.00 0.00 0.00 173.10 172.53 3i56 s GLU 114 N -4.20 4.11 -0.21 2.90 -1.05 -0.43 -4.43 118.70 115.39 3i56 s GLU 114 Ca 0.59 0.66 -0.15 0.00 -0.15 0.00 0.00 54.97 55.92 3i56 s GLU 114 Cb -0.11 -2.99 -0.04 0.00 -0.44 0.00 0.00 34.13 30.55 3i56 s GLU 114 CO 0.35 0.49 0.37 0.08 0.95 0.00 0.00 175.26 177.50 3i56 s VAL 115 N -1.39 5.22 0.70 1.83 1.01 -1.26 -1.43 120.40 125.08 3i56 s VAL 115 Ca 0.37 0.63 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 3i56 s VAL 115 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3i56 s VAL 115 CO 0.20 0.26 1.07 -0.76 0.00 0.00 0.00 175.10 175.87 3i56 s LEU 116 N 1.28 3.17 0.12 3.92 1.43 -1.26 -5.00 118.68 122.35 3i56 s LEU 116 Ca 0.17 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 3i56 s LEU 116 Cb -0.15 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.49 3i56 s LEU 116 CO 0.07 -1.56 1.25 -1.81 0.23 0.00 0.00 176.35 174.54 3i56 s ASP 117 N -3.49 7.00 -0.32 2.29 1.01 -1.26 -3.38 116.67 118.53 3i56 s ASP 117 Ca 0.60 2.19 0.00 0.00 0.71 0.00 0.00 52.55 56.05 3i56 s ASP 117 Cb -0.15 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3i56 s ASP 117 CO 0.52 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 176.02 3i56 n GLY 118 N 2.91 0.61 0.08 0.21 0.00 -1.26 -4.91 105.19 102.82 3i56 n GLY 118 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3i56 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i56 n THR 119 N -2.80 1.05 -2.16 2.61 -2.24 -1.22 -4.96 114.28 104.57 3i56 n THR 119 Ca -0.03 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.62 3i56 n THR 119 Cb 0.16 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3i56 n THR 119 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i56 s SER 120 N -5.08 6.83 -0.19 3.42 0.01 -1.26 -0.27 113.70 117.16 3i56 s SER 120 Ca -0.09 2.60 -0.07 0.00 1.31 0.00 0.00 55.95 59.71 3i56 s SER 120 Cb 0.07 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 3i56 s SER 120 CO 0.76 -0.51 0.05 -0.22 0.41 0.00 0.00 173.24 173.73 3i56 s LEU 121 N -1.39 3.66 -0.59 2.44 2.96 0.46 -4.87 118.68 121.36 3i56 s LEU 121 Ca 0.50 -0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 54.15 3i56 s LEU 121 Cb -0.39 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.41 3i56 s LEU 121 CO 0.49 0.14 1.13 -0.62 -1.32 0.00 0.00 176.35 176.16 3i56 s ASP 122 N 0.59 6.38 0.50 3.68 -1.08 -1.26 -4.89 116.67 120.59 3i56 s ASP 122 Ca 0.02 -0.11 0.16 0.00 -0.52 0.00 0.00 52.55 52.11 3i56 s ASP 122 Cb -0.13 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.04 3i56 s ASP 122 CO 0.01 -1.45 2.10 0.03 0.52 0.00 0.00 175.17 176.39 3i56 h ARG 123 N 9.53 0.09 0.00 4.34 3.08 -1.95 -1.40 114.38 128.06 3i56 h ARG 123 Ca -0.26 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3i56 h ARG 123 Cb 1.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3i56 h ARG 123 CO 1.17 0.06 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.89 3i56 h LEU 124 N 0.09 0.00 0.00 3.04 3.38 -2.06 -2.96 115.31 116.80 3i56 h LEU 124 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i56 h LEU 124 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i56 h LEU 124 CO -0.01 0.17 -1.04 -1.20 0.09 0.00 0.00 178.44 176.44 3i56 n SER 125 N -3.32 0.91 -3.99 -0.43 7.64 -0.60 -4.98 113.62 108.86 3i56 n SER 125 Ca 0.00 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 58.79 3i56 n SER 125 Cb 0.40 1.07 -0.15 0.00 -1.01 0.00 0.00 64.21 64.53 3i56 n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3i56 s ASN 126 N -3.05 0.99 0.00 6.43 0.01 -0.79 -5.01 114.94 113.52 3i56 s ASN 126 Ca 0.07 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3i56 s ASN 126 Cb 0.15 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.61 3i56 s ASN 126 CO 0.84 0.07 0.00 0.00 -1.51 0.00 0.00 177.10 176.50 3i56 n ILE 127 N 3.14 0.00 -3.28 0.60 3.06 -1.26 -4.72 119.36 116.90 3i56 n ILE 127 Ca -0.16 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 59.64 3i56 n ILE 127 Cb 0.56 0.38 -0.00 0.00 0.54 0.00 0.00 39.64 41.11 3i56 n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3i56 s LYS 128 N -1.86 4.15 0.33 9.51 1.02 -1.26 -4.96 119.74 126.67 3i56 s LYS 128 Ca 0.00 -3.06 -0.14 0.00 0.02 0.00 0.00 55.97 52.78 3i56 s LYS 128 Cb 0.00 -4.63 0.03 0.00 -0.52 0.00 0.00 37.83 32.71 3i56 s LYS 128 CO 0.00 -1.33 0.66 -0.59 -0.92 0.00 0.00 175.35 173.17 3i56 s PHE 129 N -0.71 0.26 0.05 3.18 -0.12 -1.19 -0.87 117.98 118.57 3i56 s PHE 129 Ca 0.32 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.42 3i56 s PHE 129 Cb -0.09 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 3i56 s PHE 129 CO -0.07 -1.32 0.02 0.08 -0.05 0.00 0.00 175.22 173.88 3i56 s VAL 130 N -3.12 0.18 -0.04 -2.49 1.01 -0.36 -4.78 120.40 110.79 3i56 s VAL 130 Ca 0.18 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 3i56 s VAL 130 Cb -0.04 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3i56 s VAL 130 CO 0.12 -0.80 0.23 -0.89 0.00 0.00 0.00 175.10 173.76 3i56 s THR 131 N -3.21 5.35 0.55 3.92 2.01 -1.26 -1.96 115.64 121.04 3i56 s THR 131 Ca 0.00 0.24 0.26 0.00 0.31 0.00 0.00 61.69 62.50 3i56 s THR 131 Cb 0.03 -3.52 0.32 0.00 0.01 0.00 0.00 72.50 69.34 3i56 s THR 131 CO -0.07 0.48 2.21 -0.07 -0.69 0.00 0.00 174.62 176.47 3i56 h LEU 132 N 4.43 0.00 -0.66 4.42 3.38 -1.22 -1.00 115.31 124.66 3i56 h LEU 132 Ca -0.52 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.31 3i56 h LEU 132 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3i56 h LEU 132 CO 0.63 0.02 -0.48 1.23 0.09 0.00 0.00 178.44 179.92 3i56 h GLY 133 N 0.10 0.50 1.04 0.83 0.00 -1.55 -1.25 103.07 102.75 3i56 h GLY 133 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 3i56 h GLY 133 CO 0.00 0.49 -0.07 0.83 0.00 0.00 0.00 176.54 177.79 3i56 h GLU 134 N 0.37 0.93 -0.34 4.80 5.08 -1.47 -1.24 114.58 122.71 3i56 h GLU 134 Ca 0.02 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3i56 h GLU 134 Cb 0.99 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3i56 h GLU 134 CO 0.09 0.99 0.13 0.82 -1.00 0.00 0.00 179.01 180.04 3i56 h ILE 135 N 0.79 1.19 -0.17 3.13 2.04 -1.25 -2.51 117.51 120.74 3i56 h ILE 135 Ca 0.13 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 3i56 h ILE 135 Cb 0.62 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3i56 h ILE 135 CO 0.04 0.21 -0.20 0.28 0.00 0.00 0.00 178.15 178.48 3i56 h SER 136 N 0.41 0.29 0.31 1.72 0.02 -1.08 -0.34 113.55 114.87 3i56 h SER 136 Ca 0.11 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3i56 h SER 136 Cb 0.21 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3i56 h SER 136 CO -0.01 0.51 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.35 3i56 h GLU 137 N 0.27 0.22 0.02 3.45 5.08 -1.01 -1.13 114.58 121.48 3i56 h GLU 137 Ca 0.05 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 3i56 h GLU 137 Cb 0.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i56 h GLU 137 CO 0.03 0.68 -0.97 1.15 -1.00 0.00 0.00 179.01 178.90 3i56 h THR 138 N 0.18 1.42 0.00 1.13 2.02 -0.98 -3.09 112.91 113.59 3i56 h THR 138 Ca 0.01 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3i56 h THR 138 Cb 0.96 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3i56 h THR 138 CO 0.08 0.75 0.00 -0.07 0.37 0.00 0.00 175.52 176.65 3i56 h LEU 139 N 0.20 0.00 0.00 2.58 3.38 -0.91 -3.46 115.31 117.09 3i56 h LEU 139 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i56 h LEU 139 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3i56 h LEU 139 CO 0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.31 3i56 n GLY 140 N -0.11 1.05 3.84 0.83 0.00 -1.09 -5.07 105.19 104.64 3i56 n GLY 140 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3i56 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 s ALA 141 N -2.00 2.95 -0.20 4.61 0.00 -0.45 -5.02 121.76 121.66 3i56 s ALA 141 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 3i56 s ALA 141 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 3i56 s ALA 141 CO 0.00 -0.68 0.87 1.21 0.00 0.00 0.00 175.76 177.16 3i56 s ASN 142 N -3.56 6.95 -0.52 0.00 3.84 -1.26 -4.66 114.94 115.73 3i56 s ASN 142 Ca 0.58 1.18 -0.27 0.00 0.21 0.00 0.00 52.86 54.56 3i56 s ASN 142 Cb -0.12 -2.47 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 3i56 s ASN 142 CO 0.45 -0.48 1.85 -0.75 -2.79 0.00 0.00 177.10 175.38 3i56 s LYS 143 N 2.51 2.84 -0.02 0.43 2.20 -1.26 -4.76 119.74 121.68 3i56 s LYS 143 Ca 0.39 0.90 0.06 0.00 -0.36 0.00 0.00 55.97 56.95 3i56 s LYS 143 Cb -0.16 -4.33 0.15 0.00 -1.51 0.00 0.00 37.83 31.99 3i56 s LYS 143 CO 0.10 -2.46 1.12 -2.37 -0.36 0.00 0.00 175.35 171.38 3i56 n THR 144 N 7.30 1.13 0.33 3.43 5.66 -1.26 -5.24 114.28 125.63 3i56 n THR 144 Ca 0.22 -1.14 0.04 0.00 -3.05 0.00 0.00 64.05 60.12 3i56 n THR 144 Cb 0.51 0.41 0.03 0.00 -1.55 0.00 0.00 70.33 69.73 3i56 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35