#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be4 n ASN 3 N 0.00 0.00 -0.00 0.00 5.03 -1.26 -1.61 115.26 117.41 1be4 n ASN 3 Ca 0.00 -0.94 0.10 0.00 0.87 0.00 0.00 54.58 54.61 1be4 n ASN 3 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1be4 n ASN 3 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1be4 n SER 4 N -0.60 0.71 -4.57 6.41 7.64 -1.26 -3.04 113.62 118.91 1be4 n SER 4 Ca 0.02 -0.55 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1be4 n SER 4 Cb 0.01 1.39 0.02 0.00 -1.01 0.00 0.00 64.21 64.62 1be4 n SER 4 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1be4 n GLU 5 N -1.77 1.06 -4.39 1.43 2.13 -0.63 -4.47 120.64 114.00 1be4 n GLU 5 Ca 0.01 0.39 -0.25 0.00 0.66 0.00 0.00 57.16 57.96 1be4 n GLU 5 Cb 0.39 -1.92 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 1be4 n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1be4 s ARG 6 N -2.03 2.01 0.07 5.31 0.52 -1.26 -0.02 118.95 123.54 1be4 s ARG 6 Ca 0.65 -1.77 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 1be4 s ARG 6 Cb -0.54 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.06 1be4 s ARG 6 CO 0.55 0.16 0.26 -0.08 0.02 0.00 0.00 175.30 176.21 1be4 s THR 7 N -2.53 0.11 -0.13 0.02 -1.32 -0.94 -4.38 115.64 106.47 1be4 s THR 7 Ca 0.34 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1be4 s THR 7 Cb -0.00 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1be4 s THR 7 CO 0.18 -0.48 -0.16 0.12 -2.21 0.00 0.00 174.62 172.07 1be4 s PHE 8 N -3.16 2.21 -0.12 9.09 5.36 -1.26 -2.72 117.98 127.38 1be4 s PHE 8 Ca -0.01 -1.16 0.01 0.00 -0.96 0.00 0.00 56.93 54.82 1be4 s PHE 8 Cb 0.01 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 41.10 1be4 s PHE 8 CO -0.07 -0.60 -0.15 0.42 -1.46 0.00 0.00 175.22 173.36 1be4 s ILE 9 N 1.19 2.91 -0.02 3.12 -1.09 0.70 0.20 121.20 128.21 1be4 s ILE 9 Ca -0.01 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1be4 s ILE 9 Cb -0.14 -2.20 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1be4 s ILE 9 CO -0.06 0.54 -0.02 0.00 -1.23 0.00 0.00 174.94 174.17 1be4 s ALA 10 N 0.23 0.33 -0.43 9.38 0.00 0.64 0.27 121.76 132.17 1be4 s ALA 10 Ca -0.10 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 1be4 s ALA 10 Cb -0.16 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1be4 s ALA 10 CO 0.06 -0.01 0.73 0.42 0.00 0.00 0.00 175.76 176.95 1be4 s ILE 11 N 0.57 4.73 0.80 0.00 1.01 0.74 0.24 121.20 129.29 1be4 s ILE 11 Ca -0.06 0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 1be4 s ILE 11 Cb -0.09 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.21 1be4 s ILE 11 CO -0.01 -0.62 1.18 -0.54 0.00 0.00 0.00 174.94 174.95 1be4 s LYS 12 N 3.07 1.73 0.38 2.79 1.02 0.30 -0.41 119.74 128.62 1be4 s LYS 12 Ca 0.27 1.67 0.05 0.00 0.02 0.00 0.00 55.97 57.98 1be4 s LYS 12 Cb -0.13 -1.80 0.76 0.00 -0.52 0.00 0.00 37.83 36.15 1be4 s LYS 12 CO 0.20 -2.13 2.02 -1.00 -0.92 0.00 0.00 175.35 173.53 1be4 h PRO 13 N -0.90 0.62 -0.58 -1.68 0.14 -1.80 -2.18 132.00 125.62 1be4 h PRO 13 Ca -0.46 -0.05 -0.07 0.00 0.14 0.00 0.00 66.00 65.56 1be4 h PRO 13 Cb 1.28 -0.13 -0.02 0.00 0.14 0.00 0.00 31.00 32.27 1be4 h PRO 13 CO 0.47 0.44 0.07 0.38 0.14 0.00 0.00 178.00 179.49 1be4 h ASP 14 N 0.63 0.91 0.06 1.44 2.03 -1.89 -0.48 116.42 119.13 1be4 h ASP 14 Ca 0.17 -0.21 -0.11 0.00 -0.73 0.00 0.00 57.03 56.14 1be4 h ASP 14 Cb -0.02 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.23 1be4 h ASP 14 CO -0.03 0.93 -0.36 1.23 -1.03 0.00 0.00 179.24 179.98 1be4 h GLY 15 N 1.01 0.44 1.73 7.15 0.00 -1.63 1.42 103.07 113.19 1be4 h GLY 15 Ca 0.18 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1be4 h GLY 15 CO 0.01 0.37 -0.37 -2.08 0.00 0.00 0.00 176.54 174.47 1be4 h VAL 16 N 0.34 1.29 0.00 4.60 2.07 -0.96 -0.74 116.25 122.85 1be4 h VAL 16 Ca 0.04 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1be4 h VAL 16 Cb 0.79 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1be4 h VAL 16 CO 0.06 0.44 0.00 1.56 0.02 0.00 0.00 177.57 179.65 1be4 h GLN 17 N 0.26 0.00 -0.01 1.57 1.08 0.16 -0.73 115.11 117.44 1be4 h GLN 17 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1be4 h GLN 17 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1be4 h GLN 17 CO 0.06 0.00 -0.05 0.54 -0.95 0.00 0.00 178.83 178.43 1be4 n ARG 18 N -2.98 1.31 -3.16 1.46 1.74 0.47 -4.90 116.66 110.61 1be4 n ARG 18 Ca 0.03 -0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 56.32 1be4 n ARG 18 Cb 0.42 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.45 1be4 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1be4 n GLY 19 N 1.18 -0.48 0.09 -0.13 0.00 -0.28 -4.91 105.19 100.66 1be4 n GLY 19 Ca 0.18 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.44 1be4 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1be4 n LEU 20 N -3.46 1.84 0.06 0.99 4.77 -0.92 -4.83 117.00 115.46 1be4 n LEU 20 Ca -0.18 -2.33 -0.09 0.00 -0.03 0.00 0.00 56.01 53.37 1be4 n LEU 20 Cb 0.63 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1be4 n LEU 20 CO 0.52 0.55 0.31 0.24 -1.33 0.00 0.00 177.39 177.68 1be4 h MET 21 N 0.00 -0.24 0.00 3.23 0.00 -1.87 -2.85 114.93 113.20 1be4 h MET 21 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 59.70 59.71 1be4 h MET 21 Cb 0.89 0.05 -0.00 0.00 0.00 0.00 0.00 31.60 32.54 1be4 h MET 21 CO 0.00 0.11 -0.05 0.78 0.00 0.00 0.00 176.91 177.76 1be4 h GLY 22 N -0.95 0.00 1.11 8.32 0.00 -1.97 0.05 103.07 109.63 1be4 h GLY 22 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1be4 h GLY 22 CO 0.04 0.00 0.17 -2.09 0.00 0.00 0.00 176.54 174.67 1be4 h GLU 23 N 0.00 1.11 0.09 4.80 4.57 -1.87 0.49 114.58 123.77 1be4 h GLU 23 Ca -0.00 -0.26 -0.33 0.00 -1.18 0.00 0.00 59.36 57.59 1be4 h GLU 23 Cb 0.10 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1be4 h GLU 23 CO 0.01 0.97 -1.80 0.82 -1.18 0.00 0.00 179.01 177.83 1be4 h ILE 24 N 1.05 0.82 -0.60 2.32 2.04 -1.17 -3.18 117.51 118.79 1be4 h ILE 24 Ca 0.22 -2.55 0.10 0.00 1.00 0.00 0.00 64.86 63.63 1be4 h ILE 24 Cb 0.36 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1be4 h ILE 24 CO 0.00 0.77 0.40 0.40 0.00 0.00 0.00 178.15 179.72 1be4 h ILE 25 N 0.05 0.88 0.62 -0.67 2.04 -0.89 -2.70 117.51 116.84 1be4 h ILE 25 Ca -0.34 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1be4 h ILE 25 Cb 2.03 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1be4 h ILE 25 CO 0.11 0.07 -0.30 0.50 0.00 0.00 0.00 178.15 178.53 1be4 h LYS 26 N 0.39 -0.81 -1.40 2.37 3.64 -0.89 -2.57 116.57 117.30 1be4 h LYS 26 Ca 0.28 0.05 0.43 0.00 -1.27 0.00 0.00 60.65 60.14 1be4 h LYS 26 Cb 0.57 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.48 1be4 h LYS 26 CO -0.07 -0.54 0.95 0.00 -2.27 0.00 0.00 179.45 177.52 1be4 h ARG 27 N -0.84 0.09 0.08 1.90 3.08 -1.46 0.28 114.38 117.51 1be4 h ARG 27 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1be4 h ARG 27 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1be4 h ARG 27 CO 0.14 0.06 -0.04 0.74 -1.07 0.00 0.00 179.97 179.80 1be4 h PHE 28 N 0.09 -0.10 -0.86 3.04 -1.00 -1.38 -2.42 116.94 114.31 1be4 h PHE 28 Ca 0.77 -0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.68 1be4 h PHE 28 Cb 2.64 0.03 -0.14 0.00 3.61 0.00 0.00 35.95 42.09 1be4 h PHE 28 CO -0.00 -0.06 -0.38 0.93 -1.61 0.00 0.00 178.31 177.18 1be4 h GLU 29 N -0.69 -0.06 -0.06 1.51 5.08 -1.17 -1.11 114.58 118.09 1be4 h GLU 29 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1be4 h GLU 29 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1be4 h GLU 29 CO 0.02 -0.04 -0.17 -0.56 -1.00 0.00 0.00 179.01 177.27 1be4 h GLN 30 N -0.06 0.09 0.00 2.33 3.07 -0.57 0.69 115.11 120.66 1be4 h GLN 30 Ca 0.30 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.99 1be4 h GLN 30 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.12 1be4 h GLN 30 CO -0.89 0.26 -0.15 -0.22 0.09 0.00 0.00 178.83 177.93 1be4 h LYS 31 N 0.09 0.00 0.00 0.06 1.63 -0.67 -3.47 116.57 114.21 1be4 h LYS 31 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1be4 h LYS 31 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1be4 h LYS 31 CO 0.02 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 176.58 1be4 n GLY 32 N -0.22 1.49 3.73 5.01 0.00 0.23 -5.10 105.19 110.34 1be4 n GLY 32 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1be4 n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1be4 n PHE 33 N 0.00 2.70 -2.87 1.61 3.72 -1.17 -4.96 117.46 116.48 1be4 n PHE 33 Ca 0.00 0.30 -0.38 0.00 -0.05 0.00 0.00 57.45 57.32 1be4 n PHE 33 Cb 0.00 -2.57 -0.06 0.00 -0.94 0.00 0.00 39.48 35.91 1be4 n PHE 33 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1be4 s ARG 34 N -0.52 4.59 -0.29 -1.08 3.52 -1.00 -4.46 118.95 119.71 1be4 s ARG 34 Ca 0.65 1.25 -0.16 0.00 -0.13 0.00 0.00 55.73 57.34 1be4 s ARG 34 Cb -0.53 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1be4 s ARG 34 CO 0.49 0.42 0.40 -1.17 -0.81 0.00 0.00 175.30 174.63 1be4 s LEU 35 N -1.64 4.14 -0.10 -0.88 2.96 -1.26 0.19 118.68 122.09 1be4 s LEU 35 Ca 0.44 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1be4 s LEU 35 Cb -0.21 -2.45 -0.26 0.00 0.50 0.00 0.00 46.19 43.77 1be4 s LEU 35 CO 0.26 -0.25 0.46 0.58 -1.32 0.00 0.00 176.35 176.07 1be4 h VAL 36 N 5.44 0.71 -1.76 1.68 2.07 0.21 -3.46 116.25 121.14 1be4 h VAL 36 Ca -0.31 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 64.80 1be4 h VAL 36 Cb 1.15 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 33.22 1be4 h VAL 36 CO 0.67 0.84 0.33 0.00 0.02 0.00 0.00 177.57 179.43 1be4 s ALA 37 N -2.57 -1.89 -0.15 1.67 0.00 -0.27 0.21 121.76 118.76 1be4 s ALA 37 Ca -0.19 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 1be4 s ALA 37 Cb 0.07 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 22.09 1be4 s ALA 37 CO 0.79 -0.29 0.38 1.41 0.00 0.00 0.00 175.76 178.04 1be4 s MET 38 N 0.00 0.39 -0.09 0.00 1.75 -1.26 -0.19 119.30 119.90 1be4 s MET 38 Ca 0.00 0.63 -0.24 0.00 -1.25 0.00 0.00 55.69 54.83 1be4 s MET 38 Cb -0.04 0.08 0.06 0.00 2.84 0.00 0.00 34.83 37.76 1be4 s MET 38 CO -0.02 -0.11 0.57 -1.59 -0.65 0.00 0.00 175.02 173.23 1be4 s LYS 39 N 0.81 0.86 -0.22 4.11 -2.85 -0.00 -5.03 119.74 117.42 1be4 s LYS 39 Ca -0.05 0.31 -0.07 0.00 -1.00 0.00 0.00 55.97 55.16 1be4 s LYS 39 Cb -0.06 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1be4 s LYS 39 CO -0.06 -0.23 0.07 0.12 0.10 0.00 0.00 175.35 175.35 1be4 s PHE 40 N -0.80 3.14 -0.04 1.78 5.36 -1.26 0.32 117.98 126.47 1be4 s PHE 40 Ca -0.09 -0.22 -0.29 0.00 -0.96 0.00 0.00 56.93 55.37 1be4 s PHE 40 Cb -0.02 -2.18 0.10 0.00 -0.34 0.00 0.00 43.02 40.58 1be4 s PHE 40 CO 0.06 -0.16 1.32 0.00 -1.46 0.00 0.00 175.22 174.98 1be4 s MET 41 N 1.15 0.26 -0.38 10.12 0.23 0.33 -4.95 119.30 126.06 1be4 s MET 41 Ca 0.04 -0.17 -0.21 0.00 -1.03 0.00 0.00 55.69 54.32 1be4 s MET 41 Cb -0.14 0.07 0.01 0.00 -1.53 0.00 0.00 34.83 33.24 1be4 s MET 41 CO 0.03 -0.12 0.67 0.50 -2.03 0.00 0.00 175.02 174.07 1be4 s ARG 42 N -2.03 3.61 0.10 3.16 3.52 -1.26 0.15 118.95 126.20 1be4 s ARG 42 Ca 0.29 0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.61 1be4 s ARG 42 Cb 0.00 -3.84 -0.08 0.00 -1.56 0.00 0.00 34.95 29.47 1be4 s ARG 42 CO -0.02 -0.82 1.49 0.00 -0.81 0.00 0.00 175.30 175.14 1be4 s ALA 43 N 2.83 3.65 0.70 6.12 0.00 -1.26 -4.97 121.76 128.83 1be4 s ALA 43 Ca 0.26 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1be4 s ALA 43 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.40 1be4 s ALA 43 CO 0.16 -0.81 1.12 -1.54 0.00 0.00 0.00 175.76 174.69 1be4 s SER 44 N 1.53 4.76 0.19 0.00 1.04 -1.26 -4.67 113.70 115.29 1be4 s SER 44 Ca 0.68 2.02 -0.12 0.00 0.48 0.00 0.00 55.95 59.01 1be4 s SER 44 Cb -0.38 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.35 1be4 s SER 44 CO 0.30 -1.87 1.82 -0.33 0.98 0.00 0.00 173.24 174.14 1be4 h GLU 45 N -0.35 0.65 0.05 4.02 5.08 -1.93 0.48 114.58 122.57 1be4 h GLU 45 Ca -0.46 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1be4 h GLU 45 Cb 1.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1be4 h GLU 45 CO 0.52 0.43 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.41 1be4 h ASP 46 N 0.67 -0.31 -0.17 1.42 3.32 -1.99 0.26 116.42 119.62 1be4 h ASP 46 Ca 0.25 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.38 1be4 h ASP 46 Cb 0.08 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1be4 h ASP 46 CO -0.13 -0.17 -0.05 0.25 -1.72 0.00 0.00 179.24 177.42 1be4 h LEU 47 N -0.22 -0.18 -2.02 1.55 6.46 -1.82 0.44 115.31 119.52 1be4 h LEU 47 Ca 0.02 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1be4 h LEU 47 Cb 0.24 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1be4 h LEU 47 CO -0.07 -0.07 0.21 -0.07 -0.62 0.00 0.00 178.44 177.82 1be4 h LEU 48 N -0.01 0.00 0.05 2.25 3.38 0.73 3.74 115.31 125.46 1be4 h LEU 48 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1be4 h LEU 48 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1be4 h LEU 48 CO -0.18 0.00 -0.60 0.11 0.09 0.00 0.00 178.44 177.86 1be4 h LYS 49 N 0.00 0.31 -0.40 1.13 1.57 0.16 0.24 116.57 119.58 1be4 h LYS 49 Ca 0.14 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1be4 h LYS 49 Cb 0.57 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1be4 h LYS 49 CO -0.00 1.12 0.23 1.49 -0.57 0.00 0.00 179.45 181.72 1be4 h GLU 50 N -0.31 0.54 -0.40 3.15 4.57 0.19 0.38 114.58 122.72 1be4 h GLU 50 Ca -0.09 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1be4 h GLU 50 Cb 1.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1be4 h GLU 50 CO 0.12 0.42 0.25 1.25 -1.18 0.00 0.00 179.01 179.87 1be4 h HIS 51 N 0.52 0.48 -0.24 0.92 2.76 0.72 -2.65 115.15 117.65 1be4 h HIS 51 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1be4 h HIS 51 Cb 0.02 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1be4 h HIS 51 CO -0.03 0.30 0.00 0.66 -1.30 0.00 0.00 177.93 177.56 1be4 n TYR 52 N -4.83 0.31 -0.23 5.26 4.01 0.84 -4.61 117.16 117.92 1be4 n TYR 52 Ca 0.01 -0.16 0.05 0.00 -0.16 0.00 0.00 57.90 57.64 1be4 n TYR 52 Cb 0.03 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.17 1be4 n TYR 52 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1be4 n ILE 53 N 0.25 -0.27 0.15 -0.72 3.06 0.07 -0.78 119.36 121.13 1be4 n ILE 53 Ca 0.11 1.44 0.08 0.00 -2.50 0.00 0.00 62.75 61.88 1be4 n ILE 53 Cb 0.25 -2.00 0.41 0.00 0.54 0.00 0.00 39.64 38.83 1be4 n ILE 53 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1be4 n ASP 54 N -5.00 0.39 -0.22 9.51 8.00 -1.26 -1.90 116.55 126.07 1be4 n ASP 54 Ca 0.11 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.30 1be4 n ASP 54 Cb 0.34 -0.60 0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1be4 n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1be4 n LEU 55 N -2.07 2.04 0.00 0.64 4.77 0.04 -4.81 117.00 117.60 1be4 n LEU 55 Ca -0.01 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 1be4 n LEU 55 Cb 0.21 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1be4 n LEU 55 CO 0.07 0.72 0.47 1.17 -1.33 0.00 0.00 177.39 178.49 1be4 n LYS 56 N -1.16 0.00 -0.08 3.23 4.81 -0.80 -2.48 118.16 121.68 1be4 n LYS 56 Ca 0.14 0.29 -0.16 0.00 -0.87 0.00 0.00 58.31 57.72 1be4 n LYS 56 Cb 0.67 -1.66 -0.05 0.00 0.02 0.00 0.00 35.03 34.01 1be4 n LYS 56 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1be4 n ASP 57 N -1.28 1.47 -2.97 3.14 8.00 -1.26 -4.96 116.55 118.70 1be4 n ASP 57 Ca 0.00 0.25 -0.27 0.00 0.71 0.00 0.00 54.79 55.48 1be4 n ASP 57 Cb 0.16 -0.58 0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1be4 n ASP 57 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1be4 n ARG 58 N -3.97 0.00 0.00 -1.24 1.74 -1.04 -4.86 116.66 107.29 1be4 n ARG 58 Ca -0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1be4 n ARG 58 Cb 0.62 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1be4 n ARG 58 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1be4 n PRO 59 N 1.57 0.00 -0.14 5.56 -0.02 -1.26 -3.38 135.00 137.33 1be4 n PRO 59 Ca 0.01 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 1be4 n PRO 59 Cb 0.38 -0.97 0.24 0.00 -0.02 0.00 0.00 33.50 33.13 1be4 n PRO 59 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1be4 n PHE 60 N -0.81 0.00 0.00 6.00 1.16 -1.26 -4.15 117.46 118.40 1be4 n PHE 60 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1be4 n PHE 60 Cb 0.00 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 37.73 1be4 n PHE 60 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1be4 n PHE 61 N -2.35 0.00 0.05 2.97 7.35 -1.22 -0.89 117.46 123.38 1be4 n PHE 61 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1be4 n PHE 61 Cb 0.81 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.65 1be4 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1be4 n ALA 62 N 0.00 1.53 1.26 3.13 0.00 -1.26 0.48 120.51 125.66 1be4 n ALA 62 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1be4 n ALA 62 Cb 0.00 -1.01 0.40 0.00 0.00 0.00 0.00 19.45 18.84 1be4 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1be4 n GLY 63 N -0.69 -0.61 0.08 0.00 0.00 -0.07 -1.74 105.19 102.16 1be4 n GLY 63 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1be4 n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1be4 h LEU 64 N 1.21 0.00 -2.09 0.99 7.12 1.17 -3.23 115.31 120.48 1be4 h LEU 64 Ca 0.00 -0.12 0.08 0.00 0.13 0.00 0.00 57.88 57.97 1be4 h LEU 64 Cb 0.50 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1be4 h LEU 64 CO 0.00 0.88 0.33 0.58 -0.13 0.00 0.00 178.44 180.11 1be4 h VAL 65 N -1.00 0.37 0.33 1.05 2.07 -1.42 1.20 116.25 118.84 1be4 h VAL 65 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1be4 h VAL 65 Cb 0.63 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1be4 h VAL 65 CO -0.04 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.50 1be4 h LYS 66 N 0.00 -0.42 0.65 1.57 1.79 -1.47 -0.76 116.57 117.93 1be4 h LYS 66 Ca 0.13 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1be4 h LYS 66 Cb 0.80 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1be4 h LYS 66 CO -0.00 -0.28 -0.45 -0.92 -1.08 0.00 0.00 179.45 176.72 1be4 h TYR 67 N -0.60 -1.21 0.00 -1.35 3.20 -0.96 0.30 116.97 116.35 1be4 h TYR 67 Ca -0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1be4 h TYR 67 Cb 0.33 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1be4 h TYR 67 CO 0.08 -0.66 0.91 0.52 -1.64 0.00 0.00 178.16 177.37 1be4 h MET 68 N -1.05 0.00 -0.10 1.82 2.86 0.13 1.44 114.93 120.02 1be4 h MET 68 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1be4 h MET 68 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1be4 h MET 68 CO 0.05 0.00 0.00 1.58 1.06 0.00 0.00 176.91 179.60 1be4 n HIS 69 N -2.45 0.14 1.28 -0.22 -0.00 0.94 -4.47 115.22 110.44 1be4 n HIS 69 Ca -0.00 -0.46 0.04 0.00 -0.00 0.00 0.00 57.72 57.30 1be4 n HIS 69 Cb 0.91 -0.04 0.13 0.00 -0.00 0.00 0.00 29.99 30.99 1be4 n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1be4 n SER 70 N -0.14 1.23 -2.46 0.26 3.41 0.49 -4.86 113.62 111.55 1be4 n SER 70 Ca 0.04 -1.97 -0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1be4 n SER 70 Cb 0.29 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1be4 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1be4 n GLY 71 N 0.88 0.68 3.96 5.00 0.00 -1.26 -5.07 105.19 109.37 1be4 n GLY 71 Ca 0.08 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1be4 n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1be4 s PRO 72 N -2.02 3.18 0.31 1.61 0.02 -1.26 -4.42 135.00 132.41 1be4 s PRO 72 Ca 0.15 -0.56 0.05 0.00 0.02 0.00 0.00 61.00 60.66 1be4 s PRO 72 Cb -0.01 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.81 1be4 s PRO 72 CO 0.02 -0.10 0.01 0.14 -0.33 0.00 0.00 177.00 176.74 1be4 s VAL 73 N -2.42 1.42 -0.23 3.83 -7.23 0.40 -2.88 120.40 113.29 1be4 s VAL 73 Ca 0.45 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1be4 s VAL 73 Cb -0.10 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.20 1be4 s VAL 73 CO 0.36 -0.13 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.24 1be4 s VAL 74 N -3.15 2.63 -0.29 1.32 1.01 0.45 0.12 120.40 122.50 1be4 s VAL 74 Ca 0.33 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1be4 s VAL 74 Cb 0.07 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1be4 s VAL 74 CO 0.14 0.25 0.48 0.00 0.00 0.00 0.00 175.10 175.97 1be4 s ALA 75 N 1.29 3.55 0.05 5.51 0.00 0.94 0.26 121.76 133.37 1be4 s ALA 75 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1be4 s ALA 75 Cb -0.16 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1be4 s ALA 75 CO -0.06 -0.84 -0.03 -1.64 0.00 0.00 0.00 175.76 173.18 1be4 s MET 76 N 2.27 0.57 -0.20 0.00 -1.94 0.76 -0.82 119.30 119.94 1be4 s MET 76 Ca 0.19 -1.10 -0.00 0.00 -1.71 0.00 0.00 55.69 53.07 1be4 s MET 76 Cb -0.16 0.15 0.05 0.00 2.01 0.00 0.00 34.83 36.89 1be4 s MET 76 CO 0.10 -0.09 -0.03 0.08 -0.01 0.00 0.00 175.02 175.07 1be4 s VAL 77 N -3.36 1.17 -0.14 -6.03 1.01 0.73 0.25 120.40 114.03 1be4 s VAL 77 Ca 0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1be4 s VAL 77 Cb 0.04 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1be4 s VAL 77 CO -0.08 -0.05 -0.09 0.26 0.00 0.00 0.00 175.10 175.14 1be4 s TRP 78 N 1.57 2.91 0.08 5.22 0.52 -1.10 0.21 118.94 128.35 1be4 s TRP 78 Ca -0.03 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.63 1be4 s TRP 78 Cb -0.17 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 1be4 s TRP 78 CO -0.07 -0.13 0.16 -2.00 0.02 0.00 0.00 176.95 174.93 1be4 s GLU 79 N 0.36 3.17 0.00 4.98 2.12 0.51 -2.22 118.70 127.62 1be4 s GLU 79 Ca -0.08 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1be4 s GLU 79 Cb -0.15 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1be4 s GLU 79 CO 0.04 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1be4 n GLY 80 N 0.25 3.89 3.52 -1.50 0.00 0.97 -2.38 105.19 109.93 1be4 n GLY 80 Ca -0.07 -1.28 -0.54 0.00 0.00 0.00 0.00 46.02 44.13 1be4 n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1be4 n LEU 81 N 0.00 2.11 -1.08 0.99 7.94 -1.17 -0.58 117.00 125.21 1be4 n LEU 81 Ca 0.00 0.69 -0.13 0.00 -1.11 0.00 0.00 56.01 55.46 1be4 n LEU 81 Cb 0.00 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 42.72 1be4 n LEU 81 CO 0.00 -0.60 -0.13 0.59 -1.11 0.00 0.00 177.39 176.14 1be4 n ASN 82 N 7.92 -4.50 -0.29 1.96 3.02 -1.26 -4.84 115.26 117.27 1be4 n ASN 82 Ca 0.37 0.27 0.11 0.00 -0.03 0.00 0.00 54.58 55.30 1be4 n ASN 82 Cb 0.16 -3.24 0.25 0.00 -0.61 0.00 0.00 39.78 36.35 1be4 n ASN 82 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1be4 h VAL 83 N 0.00 0.31 0.27 2.41 2.07 -1.10 -2.13 116.25 118.08 1be4 h VAL 83 Ca -0.27 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1be4 h VAL 83 Cb 0.91 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1be4 h VAL 83 CO 0.39 0.03 -0.13 0.58 0.02 0.00 0.00 177.57 178.46 1be4 h VAL 84 N 0.17 0.76 -0.62 2.57 2.07 -1.82 0.79 116.25 120.17 1be4 h VAL 84 Ca 0.51 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1be4 h VAL 84 Cb 0.99 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1be4 h VAL 84 CO -0.67 0.12 0.23 0.50 0.02 0.00 0.00 177.57 177.77 1be4 h LYS 85 N -0.69 0.91 -0.03 1.57 3.11 -1.84 -3.00 116.57 116.60 1be4 h LYS 85 Ca -0.04 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 1be4 h LYS 85 Cb 0.48 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1be4 h LYS 85 CO 0.06 0.75 -0.03 1.15 -2.81 0.00 0.00 179.45 178.57 1be4 h THR 86 N 0.89 1.39 -0.96 1.00 2.02 -1.24 -2.02 112.91 113.99 1be4 h THR 86 Ca 0.21 -1.21 0.31 0.00 0.77 0.00 0.00 66.41 66.49 1be4 h THR 86 Cb 0.19 2.15 -0.16 0.00 -1.74 0.00 0.00 68.15 68.59 1be4 h THR 86 CO -0.02 0.32 0.35 1.23 0.37 0.00 0.00 175.52 177.78 1be4 h GLY 87 N -0.41 1.74 0.81 2.16 0.00 0.65 0.30 103.07 108.32 1be4 h GLY 87 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1be4 h GLY 87 CO 0.01 -0.54 -0.09 3.21 0.00 0.00 0.00 176.54 179.13 1be4 h ARG 88 N 0.14 -0.25 -0.25 4.80 2.47 -1.35 0.22 114.38 120.16 1be4 h ARG 88 Ca 0.68 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 59.39 1be4 h ARG 88 Cb 1.55 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 1be4 h ARG 88 CO -0.73 -0.02 0.02 0.28 0.56 0.00 0.00 179.97 180.08 1be4 h VAL 89 N -0.45 1.14 -0.04 2.04 2.07 0.18 0.47 116.25 121.66 1be4 h VAL 89 Ca -0.03 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1be4 h VAL 89 Cb 0.34 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1be4 h VAL 89 CO 0.04 0.19 0.01 0.24 0.02 0.00 0.00 177.57 178.07 1be4 h MET 90 N 0.36 0.06 -0.61 1.57 2.86 0.11 -3.02 114.93 116.25 1be4 h MET 90 Ca 0.08 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1be4 h MET 90 Cb 0.21 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1be4 h MET 90 CO 0.00 0.26 0.30 -0.07 1.06 0.00 0.00 176.91 178.46 1be4 h LEU 91 N -0.16 0.77 0.00 1.22 4.07 -0.41 -2.44 115.31 118.36 1be4 h LEU 91 Ca 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1be4 h LEU 91 Cb 0.23 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1be4 h LEU 91 CO -0.00 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 1be4 n GLY 92 N -1.17 -2.37 3.76 0.83 0.00 0.10 -1.97 105.19 104.37 1be4 n GLY 92 Ca 0.06 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 1be4 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1be4 s GLU 93 N -0.28 1.52 0.06 1.61 0.41 -1.26 -4.79 118.70 115.97 1be4 s GLU 93 Ca 0.00 0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 55.01 1be4 s GLU 93 Cb 0.00 -1.85 -0.12 0.00 -1.78 0.00 0.00 34.13 30.38 1be4 s GLU 93 CO 0.00 -2.02 1.49 1.15 -0.49 0.00 0.00 175.26 175.39 1be4 h THR 94 N -1.38 1.25 -3.35 3.63 2.02 -1.96 -3.38 112.91 109.75 1be4 h THR 94 Ca -0.49 -0.84 -0.60 0.00 0.77 0.00 0.00 66.41 65.25 1be4 h THR 94 Cb 1.29 1.51 -0.09 0.00 -1.74 0.00 0.00 68.15 69.11 1be4 h THR 94 CO 0.58 0.25 0.36 0.21 0.37 0.00 0.00 175.52 177.28 1be4 s ASN 95 N -5.78 6.76 0.48 4.18 3.84 -1.26 -4.74 114.94 118.42 1be4 s ASN 95 Ca -0.14 0.94 0.35 0.00 0.21 0.00 0.00 52.86 54.22 1be4 s ASN 95 Cb 0.06 -2.40 1.49 0.00 -0.55 0.00 0.00 41.25 39.84 1be4 s ASN 95 CO 0.72 -0.45 1.65 -0.65 -2.79 0.00 0.00 177.10 175.58 1be4 h PRO 96 N 7.69 0.08 0.00 0.43 0.11 -1.82 -1.70 132.00 136.79 1be4 h PRO 96 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1be4 h PRO 96 Cb 1.11 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1be4 h PRO 96 CO 0.84 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1be4 n ALA 97 N -2.65 1.91 -0.24 -0.75 0.00 -1.26 0.44 120.51 117.95 1be4 n ALA 97 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1be4 n ALA 97 Cb 1.49 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1be4 n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1be4 n ASP 98 N -1.14 0.62 -4.76 0.00 8.00 -0.64 -4.96 116.55 113.67 1be4 n ASP 98 Ca 0.09 -0.91 -0.36 0.00 0.71 0.00 0.00 54.79 54.31 1be4 n ASP 98 Cb 0.08 0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1be4 n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1be4 s SER 99 N -0.10 5.51 0.10 -2.24 0.01 0.17 -4.65 113.70 112.50 1be4 s SER 99 Ca 0.00 2.36 0.06 0.00 1.31 0.00 0.00 55.95 59.68 1be4 s SER 99 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1be4 s SER 99 CO 0.00 -1.37 -0.06 -0.54 0.41 0.00 0.00 173.24 171.68 1be4 s LYS 100 N -3.16 2.31 -0.02 12.44 1.02 -1.26 -4.71 119.74 126.35 1be4 s LYS 100 Ca 0.73 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1be4 s LYS 100 Cb -0.29 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1be4 s LYS 100 CO 0.33 0.52 1.77 -2.14 -0.92 0.00 0.00 175.35 174.91 1be4 s PRO 101 N -2.28 4.17 0.00 -1.68 0.02 -1.26 -0.89 135.00 133.07 1be4 s PRO 101 Ca 0.23 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1be4 s PRO 101 Cb -0.11 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.37 1be4 s PRO 101 CO 0.16 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1be4 n GLY 102 N 4.28 1.40 3.88 0.52 0.00 -1.26 -5.01 105.19 109.00 1be4 n GLY 102 Ca 0.18 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1be4 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1be4 s THR 103 N -0.31 4.81 0.28 2.61 -4.23 -0.07 -4.88 115.64 113.85 1be4 s THR 103 Ca 0.00 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1be4 s THR 103 Cb 0.00 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1be4 s THR 103 CO 0.00 -0.55 1.62 0.40 -0.54 0.00 0.00 174.62 175.55 1be4 h ILE 104 N 1.00 0.23 0.12 2.99 2.04 -1.50 0.29 117.51 122.67 1be4 h ILE 104 Ca -0.47 -0.04 -0.27 0.00 1.00 0.00 0.00 64.86 65.08 1be4 h ILE 104 Cb 1.19 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1be4 h ILE 104 CO 0.64 0.02 -1.25 0.03 0.00 0.00 0.00 178.15 177.58 1be4 h ARG 105 N 0.11 0.25 0.00 2.37 3.08 -1.65 0.62 114.38 119.16 1be4 h ARG 105 Ca 0.52 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1be4 h ARG 105 Cb 1.02 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1be4 h ARG 105 CO -0.74 1.19 -0.03 0.78 -1.07 0.00 0.00 179.97 180.10 1be4 h GLY 106 N 1.72 0.00 0.00 0.04 0.00 -1.21 -2.35 103.07 101.27 1be4 h GLY 106 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.99 1be4 h GLY 106 CO 0.19 0.00 -1.24 1.22 0.00 0.00 0.00 176.54 176.72 1be4 n ASP 107 N -3.12 1.86 -1.74 0.19 8.00 0.86 -4.50 116.55 118.09 1be4 n ASP 107 Ca 0.02 0.45 -0.01 0.00 0.71 0.00 0.00 54.79 55.96 1be4 n ASP 107 Cb 0.39 -0.93 0.32 0.00 -0.02 0.00 0.00 41.12 40.88 1be4 n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1be4 n PHE 108 N -4.45 2.05 -3.60 1.24 3.72 0.21 -5.05 117.46 111.57 1be4 n PHE 108 Ca -0.29 -1.07 -0.10 0.00 -0.05 0.00 0.00 57.45 55.93 1be4 n PHE 108 Cb 0.62 -0.58 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1be4 n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1be4 n ILE 110 N -0.40 0.00 -3.79 0.00 5.41 -1.26 -4.79 119.36 114.53 1be4 n ILE 110 Ca -0.12 -0.10 -0.13 0.00 1.00 0.00 0.00 62.75 63.40 1be4 n ILE 110 Cb 0.63 0.57 -0.13 0.00 -0.71 0.00 0.00 39.64 40.00 1be4 n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1be4 s GLN 111 N -1.88 0.16 0.32 0.38 0.74 -1.26 -4.19 119.66 113.92 1be4 s GLN 111 Ca -0.00 0.28 0.10 0.00 0.05 0.00 0.00 55.36 55.78 1be4 s GLN 111 Cb 0.01 0.01 0.91 0.00 1.10 0.00 0.00 33.01 35.03 1be4 s GLN 111 CO 0.03 -0.07 1.71 0.28 -0.55 0.00 0.00 175.29 176.70 1be4 h VAL 112 N 5.25 0.47 0.00 1.34 2.07 -1.92 0.21 116.25 123.67 1be4 h VAL 112 Ca -0.31 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1be4 h VAL 112 Cb 1.18 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1be4 h VAL 112 CO 0.41 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1be4 n GLY 113 N -1.31 -1.00 2.26 2.17 0.00 -1.26 -4.04 105.19 102.01 1be4 n GLY 113 Ca 0.27 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1be4 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1be4 n ARG 114 N -1.20 0.61 -1.67 1.61 5.12 0.73 -5.02 116.66 116.84 1be4 n ARG 114 Ca 0.14 -3.14 -0.12 0.00 -1.93 0.00 0.00 57.85 52.80 1be4 n ARG 114 Cb 0.16 -1.31 0.08 0.00 -1.16 0.00 0.00 32.46 30.23 1be4 n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1be4 n ASN 115 N 1.70 3.59 0.00 0.55 6.94 -1.23 -4.41 115.26 122.41 1be4 n ASN 115 Ca 0.22 -3.59 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 1be4 n ASN 115 Cb 0.53 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1be4 n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1be4 n ILE 116 N -0.77 0.00 -3.88 1.53 -5.35 -1.26 -4.65 119.36 104.98 1be4 n ILE 116 Ca 0.32 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.73 1be4 n ILE 116 Cb 0.88 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.76 1be4 n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1be4 s ILE 117 N 0.00 0.00 0.00 7.28 2.07 -1.26 0.11 121.20 129.40 1be4 s ILE 117 Ca 0.00 -1.07 0.01 0.00 -1.41 0.00 0.00 60.65 58.17 1be4 s ILE 117 Cb 0.00 -2.09 -0.00 0.00 0.13 0.00 0.00 42.46 40.49 1be4 s ILE 117 CO 0.00 0.00 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.72 1be4 s HIS 118 N -3.83 0.25 0.06 3.50 5.65 0.66 -4.89 115.29 116.69 1be4 s HIS 118 Ca 0.13 -0.11 0.05 0.00 0.25 0.00 0.00 55.06 55.38 1be4 s HIS 118 Cb -0.05 -0.16 -0.03 0.00 -1.18 0.00 0.00 32.58 31.16 1be4 s HIS 118 CO 0.08 -0.03 -0.14 0.20 -0.65 0.00 0.00 174.74 174.20 1be4 s GLY 119 N -0.29 0.86 0.45 1.59 0.00 -1.25 0.23 107.32 108.92 1be4 s GLY 119 Ca -0.01 -0.95 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 1be4 s GLY 119 CO -0.00 -0.96 1.26 1.44 0.00 0.00 0.00 173.10 174.84 1be4 n SER 120 N 1.47 2.46 -1.08 1.64 7.64 0.54 -4.88 113.62 121.42 1be4 n SER 120 Ca -0.20 1.07 0.10 0.00 1.01 0.00 0.00 58.87 60.86 1be4 n SER 120 Cb 0.54 -1.50 0.22 0.00 -1.01 0.00 0.00 64.21 62.46 1be4 n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1be4 n ASP 121 N -0.01 3.41 -3.48 6.43 5.75 -1.26 -4.85 116.55 122.54 1be4 n ASP 121 Ca 0.07 -1.96 -0.09 0.00 -0.01 0.00 0.00 54.79 52.80 1be4 n ASP 121 Cb 0.41 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1be4 n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1be4 s SER 122 N -1.23 -0.42 0.41 -1.12 1.04 -1.26 -4.97 113.70 106.14 1be4 s SER 122 Ca 0.37 0.02 0.20 0.00 0.48 0.00 0.00 55.95 57.01 1be4 s SER 122 Cb 0.21 0.44 0.87 0.00 0.10 0.00 0.00 66.02 67.64 1be4 s SER 122 CO 0.28 -0.70 1.83 0.58 0.98 0.00 0.00 173.24 176.21 1be4 h VAL 123 N 2.02 0.88 0.25 5.02 2.07 -1.91 2.65 116.25 127.24 1be4 h VAL 123 Ca -0.25 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1be4 h VAL 123 Cb 1.26 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1be4 h VAL 123 CO 0.33 0.31 -0.23 -0.33 0.02 0.00 0.00 177.57 177.67 1be4 h GLU 124 N 0.00 -0.45 -0.54 1.57 5.08 -1.96 2.58 114.58 120.86 1be4 h GLU 124 Ca -0.00 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1be4 h GLU 124 Cb 0.71 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1be4 h GLU 124 CO 0.04 -0.30 0.08 0.77 -1.00 0.00 0.00 179.01 178.60 1be4 h SER 125 N -0.47 -0.07 -0.64 1.42 0.02 -1.69 0.24 113.55 112.36 1be4 h SER 125 Ca -0.03 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.14 1be4 h SER 125 Cb 0.40 0.17 -0.12 0.00 0.14 0.00 0.00 62.40 62.99 1be4 h SER 125 CO -0.01 -0.01 -0.35 0.00 -1.14 0.00 0.00 176.83 175.31 1be4 h ALA 126 N 1.45 -0.05 -0.29 3.77 0.00 0.49 1.06 119.26 125.69 1be4 h ALA 126 Ca 0.28 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1be4 h ALA 126 Cb 0.41 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1be4 h ALA 126 CO -0.39 -0.69 0.07 0.93 0.00 0.00 0.00 179.25 179.17 1be4 h GLU 127 N -0.15 0.42 0.45 0.00 4.39 0.67 -2.37 114.58 117.99 1be4 h GLU 127 Ca 0.24 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1be4 h GLU 127 Cb 0.56 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1be4 h GLU 127 CO -0.72 0.39 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.08 1be4 h LYS 128 N 0.42 -0.59 -0.74 2.33 3.64 -1.07 -3.06 116.57 117.49 1be4 h LYS 128 Ca 0.10 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.68 1be4 h LYS 128 Cb 0.16 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 31.98 1be4 h LYS 128 CO -0.00 -0.29 -0.11 0.93 -2.27 0.00 0.00 179.45 177.71 1be4 h GLU 129 N -1.03 0.04 -0.33 1.90 5.08 0.13 0.72 114.58 121.09 1be4 h GLU 129 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1be4 h GLU 129 Cb 0.57 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1be4 h GLU 129 CO 0.10 0.02 0.17 0.82 -1.00 0.00 0.00 179.01 179.13 1be4 h ILE 130 N 0.04 1.15 0.09 3.13 2.04 -1.57 1.22 117.51 123.62 1be4 h ILE 130 Ca 0.38 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1be4 h ILE 130 Cb 0.62 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1be4 h ILE 130 CO -0.72 0.16 -0.26 0.00 0.00 0.00 0.00 178.15 177.33 1be4 h ALA 131 N 1.03 -0.42 0.86 1.87 0.00 -1.05 3.06 119.26 124.61 1be4 h ALA 131 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1be4 h ALA 131 Cb 0.10 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1be4 h ALA 131 CO -0.02 -0.79 -0.45 1.25 0.00 0.00 0.00 179.25 179.25 1be4 h LEU 132 N -0.45 -1.10 -0.25 0.00 6.46 0.65 -3.20 115.31 117.43 1be4 h LEU 132 Ca 0.04 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1be4 h LEU 132 Cb 0.49 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1be4 h LEU 132 CO -0.16 -0.74 0.00 0.79 -0.62 0.00 0.00 178.44 177.71 1be4 n TRP 133 N -5.36 0.69 -4.17 1.25 7.02 0.42 -4.80 117.44 112.50 1be4 n TRP 133 Ca -0.15 0.23 -0.17 0.00 -1.02 0.00 0.00 57.50 56.39 1be4 n TRP 133 Cb 0.48 -0.87 -0.12 0.00 -2.42 0.00 0.00 31.31 28.38 1be4 n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1be4 s PHE 134 N -3.15 1.17 0.99 -5.99 0.08 1.02 -5.04 117.98 107.04 1be4 s PHE 134 Ca 0.08 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 1be4 s PHE 134 Cb 0.12 -0.65 0.18 0.00 -0.57 0.00 0.00 43.02 42.10 1be4 s PHE 134 CO 0.49 0.05 1.10 1.03 -0.10 0.00 0.00 175.22 177.78 1be4 s ARG 135 N -1.87 0.52 0.23 0.44 3.00 -1.26 -4.62 118.95 115.38 1be4 s ARG 135 Ca -0.01 0.48 0.22 0.00 0.00 0.00 0.00 55.73 56.41 1be4 s ARG 135 Cb -0.09 -1.75 0.04 0.00 0.00 0.00 0.00 34.95 33.15 1be4 s ARG 135 CO 0.02 -2.66 1.11 -1.35 0.00 0.00 0.00 175.30 172.42 1be4 h PRO 136 N -1.84 0.00 0.00 3.54 0.11 -1.95 -3.23 132.00 128.63 1be4 h PRO 136 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1be4 h PRO 136 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1be4 h PRO 136 CO 0.58 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 1be4 n GLU 137 N -2.77 0.71 0.00 1.05 0.00 -1.26 -2.86 120.64 115.51 1be4 n GLU 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1be4 n GLU 137 Cb 0.58 -1.14 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1be4 n GLU 137 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1be4 n GLU 138 N -0.64 -0.47 -3.13 3.44 0.28 -1.22 -4.97 120.64 113.92 1be4 n GLU 138 Ca 0.05 -0.58 -0.39 0.00 -0.16 0.00 0.00 57.16 56.07 1be4 n GLU 138 Cb 0.02 -0.96 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 1be4 n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1be4 s LEU 139 N -0.11 4.43 -0.10 -1.84 2.01 -1.13 -4.36 118.68 117.56 1be4 s LEU 139 Ca 0.00 1.26 -0.02 0.00 0.01 0.00 0.00 54.13 55.38 1be4 s LEU 139 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 46.19 43.14 1be4 s LEU 139 CO 0.00 0.07 -0.03 -0.69 1.01 0.00 0.00 176.35 176.72 1be4 s VAL 140 N -0.15 4.05 -0.46 -1.59 1.01 0.56 -4.96 120.40 118.87 1be4 s VAL 140 Ca 0.33 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1be4 s VAL 140 Cb -0.19 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.55 1be4 s VAL 140 CO 0.19 0.57 0.35 0.21 0.00 0.00 0.00 175.10 176.42 1be4 s ASN 141 N -0.49 6.00 0.10 3.32 2.47 -1.26 -4.79 114.94 120.29 1be4 s ASN 141 Ca 0.08 -1.37 -0.13 0.00 0.42 0.00 0.00 52.86 51.86 1be4 s ASN 141 Cb -0.12 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.57 1be4 s ASN 141 CO 0.02 -0.61 0.30 -0.72 -3.72 0.00 0.00 177.10 172.37 1be4 s TYR 142 N 1.58 -0.04 -0.02 0.43 1.13 -1.26 -5.15 117.35 114.02 1be4 s TYR 142 Ca 0.04 -0.31 -0.15 0.00 -1.41 0.00 0.00 57.07 55.24 1be4 s TYR 142 Cb -0.24 0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.68 1be4 s TYR 142 CO 0.05 -0.62 0.40 0.21 -2.51 0.00 0.00 175.55 173.08 1be4 s LYS 143 N -3.75 3.94 0.97 -3.49 2.47 -1.26 -5.08 119.74 113.54 1be4 s LYS 143 Ca 0.03 0.38 -0.12 0.00 -1.56 0.00 0.00 55.97 54.70 1be4 s LYS 143 Cb 0.03 -3.24 0.17 0.00 -1.46 0.00 0.00 37.83 33.33 1be4 s LYS 143 CO -0.11 0.64 1.09 0.45 0.16 0.00 0.00 175.35 177.58 1be4 s SER 144 N -0.90 2.88 0.09 1.43 0.15 -1.26 -4.96 113.70 111.13 1be4 s SER 144 Ca 0.23 1.31 -0.18 0.00 0.70 0.00 0.00 55.95 58.01 1be4 s SER 144 Cb -0.16 -1.98 -0.08 0.00 -1.71 0.00 0.00 66.02 62.09 1be4 s SER 144 CO 0.12 -2.98 1.52 0.00 1.20 0.00 0.00 173.24 173.10 1be4 n ALA 146 N -2.35 5.47 -0.26 0.00 0.00 -1.26 -4.52 120.51 117.58 1be4 n ALA 146 Ca -0.03 -3.62 0.05 0.00 0.00 0.00 0.00 53.44 49.83 1be4 n ALA 146 Cb 0.25 -0.90 0.19 0.00 0.00 0.00 0.00 19.45 18.99 1be4 n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1be4 h GLN 147 N 2.02 0.44 -0.34 0.00 5.75 -1.96 0.67 115.11 121.69 1be4 h GLN 147 Ca 0.45 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1be4 h GLN 147 Cb 1.29 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1be4 h GLN 147 CO 1.05 0.29 0.00 0.09 -2.65 0.00 0.00 178.83 177.61 1be4 n ASN 148 N -5.00 3.15 0.04 -0.69 3.02 -1.26 0.42 115.26 114.94 1be4 n ASN 148 Ca 0.14 -1.95 -0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1be4 n ASN 148 Cb 0.41 -0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.29 1be4 n ASN 148 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1be4 h TRP 149 N 4.12 0.00 0.11 3.10 4.06 -1.65 -3.33 115.95 122.37 1be4 h TRP 149 Ca 0.00 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.63 1be4 h TRP 149 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1be4 h TRP 149 CO 0.22 0.60 -1.64 0.82 -3.56 0.00 0.00 178.44 174.87 1be4 h ILE 150 N 0.00 1.01 -4.42 1.49 2.04 0.25 -3.47 117.51 114.41 1be4 h ILE 150 Ca -0.16 -2.69 -0.70 0.00 1.00 0.00 0.00 64.86 62.32 1be4 h ILE 150 Cb 1.60 2.68 -0.28 0.00 -0.74 0.00 0.00 36.82 40.08 1be4 h ILE 150 CO 0.05 0.80 -0.85 -0.31 0.00 0.00 0.00 178.15 177.83 1be4 s TYR 151 N -2.60 2.45 -1.78 1.37 2.02 0.17 -5.10 117.35 113.87 1be4 s TYR 151 Ca -0.11 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1be4 s TYR 151 Cb 0.07 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 1be4 s TYR 151 CO 0.84 0.03 0.45 -1.91 -1.57 0.00 0.00 175.55 173.38