#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be3 s VAL 6 N 0.00 4.26 0.00 0.00 -7.23 -1.26 -4.68 120.40 111.49 1be3 s VAL 6 Ca 0.00 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1be3 s VAL 6 Cb 0.00 -4.61 0.00 0.00 0.56 0.00 0.00 36.38 32.33 1be3 s VAL 6 CO 0.00 -1.21 0.00 -0.24 -0.31 0.00 0.00 175.10 173.34 1be3 n SER 7 N 7.80 0.56 -0.08 4.85 2.88 -1.26 -4.68 113.62 123.69 1be3 n SER 7 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.44 1be3 n SER 7 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 1be3 n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1be3 h ALA 8 N 0.00 0.09 -0.49 -1.46 0.00 -1.97 -3.23 119.26 112.20 1be3 h ALA 8 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 1be3 h ALA 8 Cb 0.51 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1be3 h ALA 8 CO 0.00 0.28 -0.11 0.66 0.00 0.00 0.00 179.25 180.09 1be3 h SER 9 N -1.00 0.94 -0.19 0.00 4.64 -1.91 -2.75 113.55 113.29 1be3 h SER 9 Ca -0.11 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1be3 h SER 9 Cb 0.91 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1be3 h SER 9 CO -0.07 1.08 0.00 -1.20 -0.87 0.00 0.00 176.83 175.77 1be3 n SER 10 N -4.22 2.19 -0.91 4.97 7.64 -1.26 -2.31 113.62 119.72 1be3 n SER 10 Ca 0.00 -1.78 0.10 0.00 1.01 0.00 0.00 58.87 58.21 1be3 n SER 10 Cb 0.39 -0.12 0.13 0.00 -1.01 0.00 0.00 64.21 63.60 1be3 n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1be3 n ARG 11 N 0.68 2.07 -0.00 1.43 1.74 -1.11 -4.29 116.66 117.18 1be3 n ARG 11 Ca 0.17 -1.91 0.02 0.00 -0.77 0.00 0.00 57.85 55.37 1be3 n ARG 11 Cb 0.42 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1be3 n ARG 11 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1be3 n TRP 12 N 1.22 0.00 -0.15 -1.55 -0.00 -1.05 -4.40 117.44 111.52 1be3 n TRP 12 Ca 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.65 1be3 n TRP 12 Cb 0.53 -0.07 0.29 0.00 -0.00 0.00 0.00 31.31 32.06 1be3 n TRP 12 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1be3 h LEU 13 N 0.00 0.74 -1.90 5.87 3.38 -1.64 0.05 115.31 121.81 1be3 h LEU 13 Ca 0.00 -0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.15 1be3 h LEU 13 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1be3 h LEU 13 CO 0.00 0.56 0.63 -0.33 0.09 0.00 0.00 178.44 179.39 1be3 h GLU 14 N 0.87 0.00 -0.05 1.13 5.08 -1.79 0.70 114.58 120.51 1be3 h GLU 14 Ca 0.23 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.36 1be3 h GLU 14 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1be3 h GLU 14 CO -0.05 0.00 -0.89 0.78 -1.00 0.00 0.00 179.01 177.86 1be3 h GLY 15 N 0.00 0.63 0.70 -3.84 0.00 -1.25 0.51 103.07 99.82 1be3 h GLY 15 Ca 0.34 -1.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.51 1be3 h GLY 15 CO -0.00 0.89 -0.64 0.16 0.00 0.00 0.00 176.54 176.95 1be3 h ILE 16 N 0.35 1.48 -0.22 2.60 3.07 -0.27 -1.36 117.51 123.15 1be3 h ILE 16 Ca -0.08 -2.24 0.04 0.00 1.55 0.00 0.00 64.86 64.13 1be3 h ILE 16 Cb 1.52 2.85 -0.07 0.00 -0.27 0.00 0.00 36.82 40.85 1be3 h ILE 16 CO 0.17 0.64 -0.55 0.03 -1.05 0.00 0.00 178.15 177.39 1be3 h ARG 17 N -0.26 -0.51 -0.93 0.16 3.08 0.12 2.62 114.38 118.66 1be3 h ARG 17 Ca -0.09 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.13 1be3 h ARG 17 Cb 1.40 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.49 1be3 h ARG 17 CO 0.12 -0.34 0.59 -0.22 -1.07 0.00 0.00 179.97 179.06 1be3 h LYS 18 N -0.53 0.77 -0.25 0.04 3.64 -0.05 0.64 116.57 120.84 1be3 h LYS 18 Ca 0.05 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1be3 h LYS 18 Cb 0.66 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1be3 h LYS 18 CO -0.49 0.51 -0.23 2.35 -2.27 0.00 0.00 179.45 179.32 1be3 h TRP 19 N 0.79 0.71 0.30 1.91 7.01 0.57 -3.19 115.95 124.04 1be3 h TRP 19 Ca 0.47 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1be3 h TRP 19 Cb 0.65 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1be3 h TRP 19 CO -0.00 0.91 -0.14 -0.92 -2.79 0.00 0.00 178.44 175.49 1be3 h TYR 20 N 0.30 -0.37 -0.87 2.65 5.03 0.98 -2.31 116.97 122.39 1be3 h TYR 20 Ca 0.04 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.42 1be3 h TYR 20 Cb 0.78 0.12 -0.11 0.00 1.55 0.00 0.00 36.73 39.08 1be3 h TYR 20 CO 0.07 -0.14 -0.50 0.98 -1.32 0.00 0.00 178.16 177.25 1be3 n TYR 21 N -5.21 -0.35 0.49 -3.82 9.36 0.56 0.14 117.16 118.32 1be3 n TYR 21 Ca -0.10 1.08 0.13 0.00 3.32 0.00 0.00 57.90 62.33 1be3 n TYR 21 Cb 0.21 -0.59 0.43 0.00 -0.63 0.00 0.00 39.34 38.77 1be3 n TYR 21 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1be3 h ASN 22 N 0.00 0.00 0.39 2.98 2.35 -1.63 -3.33 115.58 116.34 1be3 h ASN 22 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1be3 h ASN 22 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1be3 h ASN 22 CO -0.82 0.00 -0.19 0.00 -1.65 0.00 0.00 177.43 174.77 1be3 h ALA 23 N 2.35 -0.52 -1.48 -0.83 0.00 0.18 -3.38 119.26 115.57 1be3 h ALA 23 Ca 0.00 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 54.08 1be3 h ALA 23 Cb 0.62 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1be3 h ALA 23 CO 0.00 -0.59 1.40 0.00 0.00 0.00 0.00 179.25 180.06 1be3 n ALA 24 N -2.57 1.26 0.19 0.00 0.00 -0.62 -4.85 120.51 113.92 1be3 n ALA 24 Ca -0.09 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1be3 n ALA 24 Cb 0.28 -2.65 0.11 0.00 0.00 0.00 0.00 19.45 17.19 1be3 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1be3 n GLY 25 N 6.02 -0.55 0.40 0.00 0.00 -1.26 -3.38 105.19 106.42 1be3 n GLY 25 Ca 0.35 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.55 1be3 n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1be3 h PHE 26 N 0.00 0.57 -0.31 1.61 -0.00 -1.88 0.41 116.94 117.34 1be3 h PHE 26 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 58.02 1be3 h PHE 26 Cb 0.06 -0.17 -0.04 0.00 -0.00 0.00 0.00 35.95 35.80 1be3 h PHE 26 CO 0.00 0.13 -0.19 -1.71 -0.00 0.00 0.00 178.31 176.55 1be3 n ASN 27 N -4.53 -0.33 0.27 -0.68 2.85 -1.22 -1.15 115.26 110.46 1be3 n ASN 27 Ca 0.20 0.71 0.12 0.00 -0.11 0.00 0.00 54.58 55.51 1be3 n ASN 27 Cb 0.73 -0.15 0.76 0.00 1.24 0.00 0.00 39.78 42.36 1be3 n ASN 27 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1be3 h LYS 28 N 0.00 0.00 -0.00 1.20 1.57 -0.46 -3.10 116.57 115.78 1be3 h LYS 28 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1be3 h LYS 28 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1be3 h LYS 28 CO -0.30 0.07 -0.07 1.28 -0.57 0.00 0.00 179.45 179.87 1be3 n LEU 29 N -3.92 0.51 0.00 2.94 4.77 -0.30 -2.46 117.00 118.54 1be3 n LEU 29 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1be3 n LEU 29 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1be3 n LEU 29 CO 0.30 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1be3 n GLY 30 N 1.20 0.86 3.86 -0.72 0.00 -1.21 -4.20 105.19 104.98 1be3 n GLY 30 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1be3 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1be3 s LEU 31 N 0.00 2.50 0.10 0.99 1.43 -1.17 -4.81 118.68 117.72 1be3 s LEU 31 Ca 0.00 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1be3 s LEU 31 Cb 0.00 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1be3 s LEU 31 CO 0.00 -1.92 -0.11 -0.04 0.23 0.00 0.00 176.35 174.50 1be3 s MET 32 N -5.41 0.89 0.09 1.70 -1.94 -1.26 -4.63 119.30 108.74 1be3 s MET 32 Ca 0.61 -1.16 -0.23 0.00 -1.71 0.00 0.00 55.69 53.20 1be3 s MET 32 Cb -0.12 -0.64 -0.08 0.00 2.01 0.00 0.00 34.83 36.00 1be3 s MET 32 CO 0.51 0.11 1.39 -0.09 -0.01 0.00 0.00 175.02 176.93 1be3 h ARG 33 N 3.61 -0.25 -1.86 2.03 2.43 -1.97 0.40 114.38 118.76 1be3 h ARG 33 Ca -0.38 0.02 0.54 0.00 -0.81 0.00 0.00 59.98 59.35 1be3 h ARG 33 Cb 1.19 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 1be3 h ARG 33 CO 0.51 -0.17 1.33 -0.44 -1.51 0.00 0.00 179.97 179.70 1be3 h ASP 34 N -0.26 0.01 0.11 -3.80 3.32 -1.98 1.08 116.42 114.90 1be3 h ASP 34 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1be3 h ASP 34 Cb 0.41 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1be3 h ASP 34 CO -0.44 -0.01 -0.08 0.47 -1.72 0.00 0.00 179.24 177.46 1be3 n ASP 35 N -4.01 1.02 -0.43 6.45 8.00 0.14 -3.39 116.55 124.34 1be3 n ASP 35 Ca 0.42 -1.13 0.11 0.00 0.71 0.00 0.00 54.79 54.90 1be3 n ASP 35 Cb 1.91 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 43.01 1be3 n ASP 35 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1be3 n THR 36 N -0.36 0.00 -0.67 -3.53 -1.04 0.37 -4.94 114.28 104.11 1be3 n THR 36 Ca 0.17 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 1be3 n THR 36 Cb 0.31 1.22 0.22 0.00 -1.82 0.00 0.00 70.33 70.26 1be3 n THR 36 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1be3 s ILE 37 N -2.47 2.08 0.01 12.58 -4.36 -1.22 -4.93 121.20 122.89 1be3 s ILE 37 Ca 0.17 0.03 -0.30 0.00 -0.26 0.00 0.00 60.65 60.28 1be3 s ILE 37 Cb 0.17 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 1be3 s ILE 37 CO 0.59 -0.04 1.07 -2.28 0.24 0.00 0.00 174.94 174.52 1be3 s HIS 38 N -2.57 3.53 -0.86 1.37 5.65 -1.26 -4.94 115.29 116.22 1be3 s HIS 38 Ca 0.68 1.52 -0.23 0.00 0.25 0.00 0.00 55.06 57.27 1be3 s HIS 38 Cb -0.24 -3.25 0.06 0.00 -1.18 0.00 0.00 32.58 27.97 1be3 s HIS 38 CO 0.62 -0.56 1.26 -1.21 -0.65 0.00 0.00 174.74 174.21 1be3 s GLU 39 N 1.22 3.39 0.31 2.88 8.01 -1.26 -4.82 118.70 128.43 1be3 s GLU 39 Ca 0.54 -0.91 0.01 0.00 0.01 0.00 0.00 54.97 54.62 1be3 s GLU 39 Cb -0.24 -4.74 0.01 0.00 -4.31 0.00 0.00 34.13 24.85 1be3 s GLU 39 CO 0.27 -2.05 0.10 -1.71 0.01 0.00 0.00 175.26 171.88 1be3 n ASN 40 N 8.45 2.49 -0.23 -0.19 5.15 -1.26 -4.93 115.26 124.74 1be3 n ASN 40 Ca 0.16 -2.23 0.02 0.00 -0.60 0.00 0.00 54.58 51.94 1be3 n ASN 40 Cb 0.49 0.11 0.12 0.00 -0.53 0.00 0.00 39.78 39.97 1be3 n ASN 40 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1be3 h ASP 41 N 0.58 -0.39 0.25 1.20 3.32 -1.99 0.19 116.42 119.58 1be3 h ASP 41 Ca -0.23 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1be3 h ASP 41 Cb 0.75 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1be3 h ASP 41 CO 0.37 -0.17 -0.12 0.44 -1.72 0.00 0.00 179.24 178.05 1be3 h ASP 42 N 0.08 -0.28 -0.65 6.45 5.19 -1.97 -2.91 116.42 122.33 1be3 h ASP 42 Ca 0.36 -0.24 0.14 0.00 -0.62 0.00 0.00 57.03 56.66 1be3 h ASP 42 Cb 0.59 0.07 -0.10 0.00 0.18 0.00 0.00 39.33 40.07 1be3 h ASP 42 CO -0.62 0.14 0.06 0.58 -3.12 0.00 0.00 179.24 176.28 1be3 h VAL 43 N -0.77 0.51 -0.32 -1.35 2.07 -1.74 -1.31 116.25 113.33 1be3 h VAL 43 Ca -0.03 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1be3 h VAL 43 Cb 0.50 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1be3 h VAL 43 CO 0.06 0.03 -0.47 0.11 0.02 0.00 0.00 177.57 177.32 1be3 h LYS 44 N 0.17 -0.39 -0.51 1.57 1.79 -0.66 0.11 116.57 118.65 1be3 h LYS 44 Ca 0.35 0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.91 1be3 h LYS 44 Cb 0.57 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 1be3 h LYS 44 CO -0.52 -0.26 0.20 1.49 -1.08 0.00 0.00 179.45 179.29 1be3 h GLU 45 N -0.40 0.39 0.25 3.15 4.57 -1.06 0.98 114.58 122.46 1be3 h GLU 45 Ca 0.10 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1be3 h GLU 45 Cb 0.61 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1be3 h GLU 45 CO -0.53 0.26 -0.41 0.00 -1.18 0.00 0.00 179.01 177.14 1be3 h ALA 46 N 1.32 -0.81 -1.00 2.92 0.00 -0.90 -0.66 119.26 120.13 1be3 h ALA 46 Ca 0.24 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.26 1be3 h ALA 46 Cb 0.23 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1be3 h ALA 46 CO -0.22 -1.01 0.61 0.82 0.00 0.00 0.00 179.25 179.45 1be3 h ILE 47 N -0.73 0.64 0.00 0.00 2.04 0.07 0.40 117.51 119.92 1be3 h ILE 47 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1be3 h ILE 47 Cb 0.71 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1be3 h ILE 47 CO -0.16 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.65 1be3 n ARG 48 N -4.79 0.06 -0.37 2.37 5.12 0.26 -1.35 116.66 117.96 1be3 n ARG 48 Ca 0.25 0.32 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 1be3 n ARG 48 Cb 0.65 -1.62 0.32 0.00 -1.16 0.00 0.00 32.46 30.65 1be3 n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1be3 n ARG 49 N -1.73 2.74 -3.02 5.56 1.74 0.14 -4.95 116.66 117.14 1be3 n ARG 49 Ca 0.03 -2.64 -0.38 0.00 -0.77 0.00 0.00 57.85 54.09 1be3 n ARG 49 Cb 0.18 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1be3 n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1be3 s LEU 50 N -1.00 4.46 0.80 0.55 1.43 -0.45 -5.02 118.68 119.45 1be3 s LEU 50 Ca 0.48 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1be3 s LEU 50 Cb 0.25 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 43.07 1be3 s LEU 50 CO 0.33 0.11 1.16 -2.84 0.23 0.00 0.00 176.35 175.34 1be3 s PRO 51 N -1.59 1.76 0.14 1.29 0.02 -1.26 -4.65 135.00 130.71 1be3 s PRO 51 Ca 0.40 1.57 -0.25 0.00 0.02 0.00 0.00 61.00 62.74 1be3 s PRO 51 Cb -0.20 -1.81 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1be3 s PRO 51 CO 0.24 -2.09 1.61 1.49 -0.33 0.00 0.00 177.00 177.92 1be3 h GLU 52 N -1.01 -0.33 0.18 5.54 4.57 -1.97 0.28 114.58 121.83 1be3 h GLU 52 Ca -0.45 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 1be3 h GLU 52 Cb 1.27 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.90 1be3 h GLU 52 CO 0.47 -0.22 -0.40 -2.95 -1.18 0.00 0.00 179.01 174.73 1be3 h ASN 53 N -0.35 -1.15 -0.39 1.04 7.08 -1.99 0.25 115.58 120.07 1be3 h ASN 53 Ca 0.11 0.12 0.08 0.00 -3.08 0.00 0.00 56.30 53.53 1be3 h ASN 53 Cb 0.53 0.42 -0.09 0.00 -2.08 0.00 0.00 38.32 37.10 1be3 h ASN 53 CO -0.38 -0.49 -0.32 -0.07 -2.08 0.00 0.00 177.43 174.09 1be3 h LEU 54 N -0.67 -1.05 -0.39 6.14 4.07 -1.89 -0.61 115.31 120.91 1be3 h LEU 54 Ca 0.01 0.19 -0.09 0.00 0.08 0.00 0.00 57.88 58.07 1be3 h LEU 54 Cb 0.67 0.50 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1be3 h LEU 54 CO -0.20 -0.32 -0.12 0.22 -1.08 0.00 0.00 178.44 176.95 1be3 h TYR 55 N -0.25 0.88 -0.67 1.13 5.03 -0.89 -2.56 116.97 119.63 1be3 h TYR 55 Ca 0.17 -0.20 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1be3 h TYR 55 Cb 0.53 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 1be3 h TYR 55 CO -0.53 0.92 0.39 -0.44 -1.32 0.00 0.00 178.16 177.18 1be3 h ASP 56 N 0.58 0.82 -0.78 -2.11 3.32 0.06 -2.54 116.42 115.78 1be3 h ASP 56 Ca 0.10 -0.08 0.18 0.00 0.02 0.00 0.00 57.03 57.25 1be3 h ASP 56 Cb 0.65 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 39.87 1be3 h ASP 56 CO 0.04 0.66 0.17 0.44 -1.72 0.00 0.00 179.24 178.83 1be3 h ASP 57 N 0.91 -0.04 -0.11 6.45 3.32 -1.15 -0.25 116.42 125.54 1be3 h ASP 57 Ca 0.24 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1be3 h ASP 57 Cb 0.00 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1be3 h ASP 57 CO -0.04 -0.09 0.05 -0.09 -1.72 0.00 0.00 179.24 177.34 1be3 h ARG 58 N 0.23 0.17 -0.96 3.56 2.43 -1.04 -2.17 114.38 116.60 1be3 h ARG 58 Ca 0.45 -0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.78 1be3 h ARG 58 Cb 0.82 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.26 1be3 h ARG 58 CO -0.57 0.27 0.61 0.28 -1.51 0.00 0.00 179.97 179.05 1be3 h VAL 59 N 0.03 0.71 -0.25 0.20 2.07 -0.95 0.10 116.25 118.16 1be3 h VAL 59 Ca 0.04 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 1be3 h VAL 59 Cb 0.16 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1be3 h VAL 59 CO -0.00 0.11 -0.59 0.15 0.02 0.00 0.00 177.57 177.26 1be3 h PHE 60 N 0.61 1.08 -0.38 1.57 3.57 -0.79 -2.48 116.94 120.12 1be3 h PHE 60 Ca 0.52 -0.41 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 1be3 h PHE 60 Cb 1.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1be3 h PHE 60 CO -0.00 1.24 -0.31 0.07 -2.23 0.00 0.00 178.31 177.08 1be3 h ARG 61 N 0.62 0.84 0.00 1.11 0.11 -0.25 0.31 114.38 117.13 1be3 h ARG 61 Ca -0.00 -0.39 -0.08 0.00 0.10 0.00 0.00 59.98 59.61 1be3 h ARG 61 Cb 1.21 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1be3 h ARG 61 CO 0.13 1.03 -0.36 0.82 0.10 0.00 0.00 179.97 181.69 1be3 h ILE 62 N 0.71 1.02 -0.41 0.08 2.04 -1.10 0.15 117.51 120.00 1be3 h ILE 62 Ca 0.08 -1.34 -0.14 0.00 1.00 0.00 0.00 64.86 64.46 1be3 h ILE 62 Cb 0.86 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1be3 h ILE 62 CO 0.08 0.35 -0.31 0.50 0.00 0.00 0.00 178.15 178.77 1be3 h LYS 63 N 0.00 0.92 -0.12 2.37 1.63 -0.89 0.28 116.57 120.77 1be3 h LYS 63 Ca -0.00 -0.44 -0.04 0.00 -0.85 0.00 0.00 60.65 59.32 1be3 h LYS 63 Cb 0.74 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1be3 h LYS 63 CO 0.05 1.10 -0.08 -0.09 -3.45 0.00 0.00 179.45 176.98 1be3 h ARG 64 N 0.78 0.27 -0.14 1.90 2.43 0.31 -1.21 114.38 118.71 1be3 h ARG 64 Ca 0.08 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1be3 h ARG 64 Cb 0.88 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1be3 h ARG 64 CO 0.08 0.63 -0.26 0.00 -1.51 0.00 0.00 179.97 178.91 1be3 h ALA 65 N 0.63 0.21 -0.36 2.80 0.00 -0.66 -1.87 119.26 120.02 1be3 h ALA 65 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1be3 h ALA 65 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1be3 h ALA 65 CO 0.02 0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 179.32 1be3 h LEU 66 N 0.02 0.60 -0.41 0.00 3.38 -0.51 0.29 115.31 118.67 1be3 h LEU 66 Ca 0.01 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1be3 h LEU 66 Cb 0.85 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1be3 h LEU 66 CO 0.06 0.73 -0.14 -0.78 0.09 0.00 0.00 178.44 178.40 1be3 h ASP 67 N 0.57 -0.50 -0.39 -0.43 3.58 -1.01 -1.50 116.42 116.74 1be3 h ASP 67 Ca 0.11 0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 1be3 h ASP 67 Cb 0.50 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1be3 h ASP 67 CO 0.03 -0.18 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.13 1be3 h LEU 68 N -0.05 0.75 -1.56 2.28 3.38 -0.40 -2.16 115.31 117.55 1be3 h LEU 68 Ca 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1be3 h LEU 68 Cb 0.36 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1be3 h LEU 68 CO -0.45 0.82 -0.11 -1.28 0.09 0.00 0.00 178.44 177.51 1be3 h SER 69 N 0.72 0.00 0.25 -0.43 0.87 0.10 0.39 113.55 115.45 1be3 h SER 69 Ca 0.14 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 1be3 h SER 69 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1be3 h SER 69 CO 0.02 0.11 -0.61 -0.03 -0.53 0.00 0.00 176.83 175.79 1be3 h MET 70 N 0.00 0.36 -0.02 2.24 1.85 -0.64 -3.23 114.93 115.50 1be3 h MET 70 Ca -0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1be3 h MET 70 Cb 0.52 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.59 1be3 h MET 70 CO 0.01 0.86 -0.22 0.54 -0.40 0.00 0.00 176.91 177.71 1be3 n ARG 71 N -3.89 1.67 -3.79 0.39 1.74 -0.54 -4.97 116.66 107.27 1be3 n ARG 71 Ca -0.03 -1.33 -0.28 0.00 -0.77 0.00 0.00 57.85 55.44 1be3 n ARG 71 Cb 0.63 -1.40 0.05 0.00 -1.02 0.00 0.00 32.46 30.72 1be3 n ARG 71 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1be3 n GLN 72 N 0.54 -6.57 -4.80 5.56 1.13 0.13 -4.97 117.38 108.41 1be3 n GLN 72 Ca 0.10 0.69 -0.29 0.00 -1.94 0.00 0.00 57.00 55.57 1be3 n GLN 72 Cb 0.47 -5.66 -0.14 0.00 0.11 0.00 0.00 30.24 25.02 1be3 n GLN 72 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1be3 s GLN 73 N -6.50 1.65 0.21 -1.09 -0.21 -1.12 -5.06 119.66 107.52 1be3 s GLN 73 Ca 0.64 -1.07 -0.02 0.00 0.02 0.00 0.00 55.36 54.93 1be3 s GLN 73 Cb -0.30 -1.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.84 1be3 s GLN 73 CO 0.79 0.47 0.41 -1.50 -2.12 0.00 0.00 175.29 173.34 1be3 s ILE 74 N -0.82 5.17 0.74 1.08 2.07 -1.26 -4.72 121.20 123.46 1be3 s ILE 74 Ca 0.10 -0.24 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 1be3 s ILE 74 Cb -0.10 -3.72 0.04 0.00 0.13 0.00 0.00 42.46 38.81 1be3 s ILE 74 CO 0.02 -0.16 1.09 -0.22 -1.91 0.00 0.00 174.94 173.76 1be3 s LEU 75 N -3.25 3.11 0.27 8.50 2.96 -1.03 -4.97 118.68 124.27 1be3 s LEU 75 Ca 0.40 1.80 -0.29 0.00 -0.22 0.00 0.00 54.13 55.82 1be3 s LEU 75 Cb -0.11 -4.52 -0.14 0.00 0.50 0.00 0.00 46.19 41.92 1be3 s LEU 75 CO 0.28 -1.84 1.05 -2.65 -1.32 0.00 0.00 176.35 171.87 1be3 n PRO 76 N -3.25 1.35 -0.34 0.98 -0.02 -1.26 -4.87 135.00 127.59 1be3 n PRO 76 Ca 0.09 0.48 0.28 0.00 -2.02 0.00 0.00 63.50 62.33 1be3 n PRO 76 Cb 0.53 -1.88 0.54 0.00 -0.02 0.00 0.00 33.50 32.67 1be3 n PRO 76 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1be3 h LYS 77 N 2.28 0.17 -0.93 -0.52 2.10 -1.96 -0.60 116.57 117.11 1be3 h LYS 77 Ca -0.40 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1be3 h LYS 77 Cb 1.34 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 32.58 1be3 h LYS 77 CO 0.63 0.12 0.57 1.49 -2.00 0.00 0.00 179.45 180.25 1be3 h GLU 78 N 0.18 1.26 -1.01 0.07 4.81 -2.04 -3.32 114.58 114.54 1be3 h GLU 78 Ca 0.79 -0.11 -0.67 0.00 -0.13 0.00 0.00 59.36 59.23 1be3 h GLU 78 Cb 1.98 -0.27 -0.30 0.00 0.63 0.00 0.00 28.75 30.80 1be3 h GLU 78 CO -0.64 0.88 0.79 0.94 -0.73 0.00 0.00 179.01 180.25 1be3 n GLN 79 N -4.38 2.74 -4.52 1.92 7.27 -0.23 -5.00 117.38 115.19 1be3 n GLN 79 Ca 0.10 -3.34 -0.31 0.00 0.07 0.00 0.00 57.00 53.52 1be3 n GLN 79 Cb 0.05 -2.29 -0.12 0.00 2.41 0.00 0.00 30.24 30.30 1be3 n GLN 79 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1be3 s TRP 80 N -3.82 2.66 0.16 3.69 0.52 -1.24 -4.73 118.94 116.18 1be3 s TRP 80 Ca 0.64 -0.19 -0.31 0.00 0.02 0.00 0.00 56.10 56.25 1be3 s TRP 80 Cb 0.50 -1.48 -0.09 0.00 -1.15 0.00 0.00 33.47 31.25 1be3 s TRP 80 CO -0.02 0.32 1.49 0.99 0.02 0.00 0.00 176.95 179.75 1be3 s THR 81 N -1.00 2.84 -0.31 2.01 2.01 -1.17 -4.92 115.64 115.09 1be3 s THR 81 Ca 0.16 0.62 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 1be3 s THR 81 Cb -0.11 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1be3 s THR 81 CO 0.07 0.06 0.28 -0.54 -0.69 0.00 0.00 174.62 173.80 1be3 s LYS 82 N 0.85 3.71 0.34 4.92 1.02 -1.26 -4.87 119.74 124.45 1be3 s LYS 82 Ca 0.66 -0.40 0.17 0.00 0.02 0.00 0.00 55.97 56.42 1be3 s LYS 82 Cb -0.41 -3.75 1.17 0.00 -0.52 0.00 0.00 37.83 34.32 1be3 s LYS 82 CO 0.33 -0.37 1.49 0.98 -0.92 0.00 0.00 175.35 176.85 1be3 n TYR 83 N 5.20 1.01 -0.11 3.18 9.36 -1.26 0.31 117.16 134.86 1be3 n TYR 83 Ca -0.11 1.12 0.12 0.00 3.32 0.00 0.00 57.90 62.34 1be3 n TYR 83 Cb 0.50 -1.46 0.49 0.00 -0.63 0.00 0.00 39.34 38.24 1be3 n TYR 83 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1be3 h GLU 84 N 0.00 0.42 -4.24 2.98 3.07 -2.02 -3.09 114.58 111.70 1be3 h GLU 84 Ca 0.76 -0.03 -0.75 0.00 -0.50 0.00 0.00 59.36 58.85 1be3 h GLU 84 Cb 1.95 -0.09 -0.18 0.00 -0.84 0.00 0.00 28.75 29.59 1be3 h GLU 84 CO -0.75 0.28 1.51 0.39 -1.40 0.00 0.00 179.01 179.03 1be3 n GLU 85 N -4.47 3.49 -3.27 2.33 1.02 0.15 -4.93 120.64 114.96 1be3 n GLU 85 Ca 0.11 -3.80 -0.46 0.00 -0.02 0.00 0.00 57.16 52.99 1be3 n GLU 85 Cb 0.40 -2.96 -0.01 0.00 -0.02 0.00 0.00 31.44 28.84 1be3 n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1be3 s ASP 86 N 1.98 7.05 -0.67 1.62 2.15 -1.17 -4.80 116.67 122.84 1be3 s ASP 86 Ca 0.41 -3.11 -0.27 0.00 0.43 0.00 0.00 52.55 50.01 1be3 s ASP 86 Cb 0.01 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.40 1be3 s ASP 86 CO 0.00 -0.49 1.50 -0.75 -0.17 0.00 0.00 175.17 175.27 1be3 s LYS 87 N -0.21 3.01 -0.38 4.34 2.47 -1.26 -4.83 119.74 122.89 1be3 s LYS 87 Ca 0.27 0.17 -0.04 0.00 -1.56 0.00 0.00 55.97 54.82 1be3 s LYS 87 Cb -0.09 -4.24 0.04 0.00 -1.46 0.00 0.00 37.83 32.08 1be3 s LYS 87 CO -0.08 -2.32 2.76 0.43 0.16 0.00 0.00 175.35 176.31 1be3 n SER 88 N 10.58 6.32 0.24 1.43 7.64 -1.26 -4.53 113.62 134.04 1be3 n SER 88 Ca 0.11 -3.09 0.11 0.00 1.01 0.00 0.00 58.87 57.00 1be3 n SER 88 Cb 0.50 -1.23 0.59 0.00 -1.01 0.00 0.00 64.21 63.06 1be3 n SER 88 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1be3 h TYR 89 N 2.76 0.00 0.00 1.43 -0.00 -2.00 0.19 116.97 119.36 1be3 h TYR 89 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.90 1be3 h TYR 89 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.55 1be3 h TYR 89 CO 1.40 0.19 -0.86 1.25 -0.00 0.00 0.00 178.16 180.14 1be3 h LEU 90 N 0.00 0.01 -0.37 0.10 5.85 -1.94 -3.36 115.31 115.59 1be3 h LEU 90 Ca -0.00 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1be3 h LEU 90 Cb 0.53 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1be3 h LEU 90 CO 0.02 0.86 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.60 1be3 h GLU 91 N 0.00 0.04 -0.01 1.25 5.08 -0.99 1.47 114.58 121.42 1be3 h GLU 91 Ca -0.01 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1be3 h GLU 91 Cb 1.51 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1be3 h GLU 91 CO 0.11 0.03 -0.22 -1.35 -1.00 0.00 0.00 179.01 176.58 1be3 h PRO 92 N 0.04 -0.26 -0.06 2.33 0.11 -1.71 0.72 132.00 133.18 1be3 h PRO 92 Ca 0.18 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.35 1be3 h PRO 92 Cb 0.27 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.38 1be3 h PRO 92 CO -0.35 -0.17 -0.40 1.88 -0.21 0.00 0.00 178.00 178.75 1be3 h TYR 93 N -0.27 -1.12 -0.42 0.65 0.05 -1.58 -2.24 116.97 112.04 1be3 h TYR 93 Ca 0.01 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.91 1be3 h TYR 93 Cb 0.29 0.50 -0.08 0.00 1.01 0.00 0.00 36.73 38.45 1be3 h TYR 93 CO -0.44 -0.47 -0.14 1.25 -1.05 0.00 0.00 178.16 177.31 1be3 h LEU 94 N -0.52 -0.50 0.00 3.88 5.85 0.23 -2.84 115.31 121.42 1be3 h LEU 94 Ca 0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1be3 h LEU 94 Cb 0.62 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1be3 h LEU 94 CO -0.34 -0.18 0.00 0.29 -0.34 0.00 0.00 178.44 177.87 1be3 n LYS 95 N -5.35 0.00 -0.28 1.25 5.02 0.25 -2.08 118.16 116.98 1be3 n LYS 95 Ca 0.03 0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 56.98 1be3 n LYS 95 Cb 0.26 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1be3 n LYS 95 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1be3 h GLU 96 N 0.00 -0.13 -0.32 1.97 4.39 -1.41 0.32 114.58 119.40 1be3 h GLU 96 Ca 0.00 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1be3 h GLU 96 Cb 0.00 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1be3 h GLU 96 CO 0.00 -0.09 -0.19 0.28 -1.16 0.00 0.00 179.01 177.86 1be3 n VAL 97 N -5.01 -0.22 -0.08 3.13 0.31 -1.08 0.15 118.33 115.52 1be3 n VAL 97 Ca -0.00 1.07 -0.09 0.00 -0.01 0.00 0.00 64.34 65.31 1be3 n VAL 97 Cb 0.26 -1.35 -0.02 0.00 -0.91 0.00 0.00 33.84 31.81 1be3 n VAL 97 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1be3 h ILE 98 N 0.00 0.25 -0.91 2.52 1.08 0.06 -1.81 117.51 118.71 1be3 h ILE 98 Ca 0.05 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.74 1be3 h ILE 98 Cb 0.13 0.25 -0.12 0.00 -3.07 0.00 0.00 36.82 34.01 1be3 h ILE 98 CO -0.30 0.00 0.42 -0.09 -0.69 0.00 0.00 178.15 177.49 1be3 h ARG 99 N -0.30 0.42 -0.21 2.37 2.43 0.33 0.27 114.38 119.69 1be3 h ARG 99 Ca 0.15 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.13 1be3 h ARG 99 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1be3 h ARG 99 CO -0.47 0.28 -0.54 0.93 -1.51 0.00 0.00 179.97 178.66 1be3 h GLU 100 N 0.43 0.61 0.76 0.20 5.08 0.21 -2.28 114.58 119.59 1be3 h GLU 100 Ca 0.57 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1be3 h GLU 100 Cb 1.06 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1be3 h GLU 100 CO -0.51 0.99 -0.36 -0.09 -1.00 0.00 0.00 179.01 178.03 1be3 h ARG 101 N 0.47 -0.98 -0.51 2.33 2.43 -0.24 -0.71 114.38 117.16 1be3 h ARG 101 Ca 0.01 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1be3 h ARG 101 Cb 1.09 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 1be3 h ARG 101 CO 0.10 -0.64 -0.26 0.87 -1.51 0.00 0.00 179.97 178.54 1be3 h LYS 102 N -1.18 -0.14 -0.38 0.20 1.57 -1.10 0.83 116.57 116.38 1be3 h LYS 102 Ca -0.10 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1be3 h LYS 102 Cb 0.80 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 1be3 h LYS 102 CO 0.17 -0.09 -0.12 1.49 -0.57 0.00 0.00 179.45 180.32 1be3 h GLU 103 N -0.14 -0.04 -0.66 3.15 4.81 -1.28 0.60 114.58 121.02 1be3 h GLU 103 Ca 0.23 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1be3 h GLU 103 Cb 0.50 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1be3 h GLU 103 CO -0.59 -0.03 0.44 0.00 -0.73 0.00 0.00 179.01 178.10 1be3 h ARG 104 N -0.04 0.81 0.10 1.92 3.08 0.10 0.46 114.38 120.81 1be3 h ARG 104 Ca 0.18 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1be3 h ARG 104 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1be3 h ARG 104 CO -0.41 0.54 -0.05 0.93 -1.07 0.00 0.00 179.97 179.90 1be3 h GLU 105 N 0.83 -0.13 -0.63 0.04 5.08 0.27 -3.22 114.58 116.82 1be3 h GLU 105 Ca 0.25 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1be3 h GLU 105 Cb -0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1be3 h GLU 105 CO -0.06 0.16 0.41 1.49 -1.00 0.00 0.00 179.01 180.00 1be3 h GLU 106 N -0.42 0.80 0.00 2.33 4.57 0.16 -0.20 114.58 121.82 1be3 h GLU 106 Ca -0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1be3 h GLU 106 Cb 0.35 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1be3 h GLU 106 CO 0.02 0.53 0.00 1.87 -1.18 0.00 0.00 179.01 180.25 1be3 n TRP 107 N -4.67 0.52 0.78 0.92 -0.00 0.15 -0.94 117.44 114.20 1be3 n TRP 107 Ca 0.05 0.26 0.12 0.00 -0.00 0.00 0.00 57.50 57.94 1be3 n TRP 107 Cb 0.04 -0.92 0.18 0.00 -0.00 0.00 0.00 31.31 30.61 1be3 n TRP 107 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1be3 n ALA 108 N -1.70 2.45 -0.32 5.87 0.00 -0.09 -4.51 120.51 122.22 1be3 n ALA 108 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1be3 n ALA 108 Cb 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1be3 n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1be3 n LYS 109 N 1.30 0.00 0.00 0.00 4.76 -0.12 -5.09 118.16 119.00 1be3 n LYS 109 Ca 0.16 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1be3 n LYS 109 Cb 0.58 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 1be3 n LYS 109 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39