#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 -0.61 0.00 4.13 -1.26 -1.09 115.26 116.43 1be4 n ASN 3 Ca 0.00 0.28 0.13 0.00 1.68 0.00 0.00 54.58 56.67 1be4 n ASN 3 Cb 0.00 -0.41 0.37 0.00 -1.54 0.00 0.00 39.78 38.20 1be4 n ASN 3 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1be4 n SER 4 N -1.41 1.93 -4.66 6.41 3.41 -1.26 -3.72 113.62 114.32 1be4 n SER 4 Ca 0.08 -1.61 -0.41 0.00 -0.26 0.00 0.00 58.87 56.67 1be4 n SER 4 Cb 0.23 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1be4 n SER 4 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1be4 n GLU 5 N 0.46 1.59 -4.25 4.33 2.13 -0.25 -4.72 120.64 119.93 1be4 n GLU 5 Ca 0.17 0.57 -0.17 0.00 0.66 0.00 0.00 57.16 58.39 1be4 n GLU 5 Cb 0.43 -2.24 -0.14 0.00 0.27 0.00 0.00 31.44 29.76 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 -2.21 0.57 0.12 5.31 0.52 -1.26 0.84 118.95 122.84 1be4 s ARG 6 Ca 0.64 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.66 1be4 s ARG 6 Cb -0.52 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 1be4 s ARG 6 CO 0.56 0.15 -0.18 -0.08 0.02 0.00 0.00 175.30 175.76 1be4 s THR 7 N -0.19 1.64 -0.27 0.02 -1.32 0.19 -4.74 115.64 110.97 1be4 s THR 7 Ca 0.02 -1.66 -0.16 0.00 -1.21 0.00 0.00 61.69 58.68 1be4 s THR 7 Cb -0.03 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1be4 s THR 7 CO -0.00 -0.20 0.43 0.12 -2.21 0.00 0.00 174.62 172.75 1be4 s PHE 8 N -1.59 3.25 -0.19 9.09 5.36 -1.26 -1.00 117.98 131.64 1be4 s PHE 8 Ca 0.09 0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.52 1be4 s PHE 8 Cb -0.08 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.98 1be4 s PHE 8 CO 0.05 -0.28 -0.15 0.42 -1.46 0.00 0.00 175.22 173.80 1be4 s ILE 9 N 2.17 1.86 -0.24 3.12 -1.09 -0.21 -1.47 121.20 125.34 1be4 s ILE 9 Ca 0.17 -0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 57.52 1be4 s ILE 9 Cb -0.16 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1be4 s ILE 9 CO 0.10 0.34 0.11 0.00 -1.23 0.00 0.00 174.94 174.26 1be4 s ALA 10 N 1.33 3.34 -0.49 9.38 0.00 -0.08 -2.03 121.76 133.22 1be4 s ALA 10 Ca 0.01 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.71 1be4 s ALA 10 Cb -0.15 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.84 1be4 s ALA 10 CO -0.10 -0.34 0.89 0.42 0.00 0.00 0.00 175.76 176.63 1be4 s ILE 11 N 1.35 4.50 0.98 0.00 1.01 -0.69 -0.47 121.20 127.88 1be4 s ILE 11 Ca 0.06 0.48 -0.12 0.00 0.00 0.00 0.00 60.65 61.07 1be4 s ILE 11 Cb -0.15 -4.44 0.18 0.00 0.01 0.00 0.00 42.46 38.06 1be4 s ILE 11 CO 0.05 -0.90 1.08 -0.54 0.00 0.00 0.00 174.94 174.63 1be4 s LYS 12 N 3.68 0.55 0.42 2.79 1.02 -0.87 -2.39 119.74 124.94 1be4 s LYS 12 Ca 0.32 0.95 0.31 0.00 0.02 0.00 0.00 55.97 57.57 1be4 s LYS 12 Cb -0.12 -1.72 1.45 0.00 -0.52 0.00 0.00 37.83 36.92 1be4 s LYS 12 CO 0.23 -2.76 1.53 -0.35 -0.92 0.00 0.00 175.35 173.07 1be4 n PRO 13 N -4.26 -0.04 0.08 -1.68 -0.04 -1.26 -0.23 135.00 127.57 1be4 n PRO 13 Ca 0.07 1.24 -0.17 0.00 -0.04 0.00 0.00 63.50 64.60 1be4 n PRO 13 Cb 0.54 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 1be4 n PRO 13 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1be4 h ASP 14 N 0.00 0.65 -0.43 3.54 2.03 -1.90 1.41 116.42 121.72 1be4 h ASP 14 Ca 0.86 -0.56 0.09 0.00 -0.73 0.00 0.00 57.03 56.68 1be4 h ASP 14 Cb 2.72 -0.20 -0.09 0.00 -0.83 0.00 0.00 39.33 40.93 1be4 h ASP 14 CO -0.49 1.38 -0.16 1.23 -1.03 0.00 0.00 179.24 180.17 1be4 h GLY 15 N 0.96 0.20 0.41 7.15 0.00 -0.80 3.93 103.07 114.92 1be4 h GLY 15 Ca -0.12 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1be4 h GLY 15 CO 0.19 -0.19 -0.20 -2.08 0.00 0.00 0.00 176.54 174.27 1be4 h VAL 16 N -0.07 0.00 -0.76 4.60 2.07 -0.75 -1.40 116.25 119.94 1be4 h VAL 16 Ca 0.21 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1be4 h VAL 16 Cb 0.39 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1be4 h VAL 16 CO -0.48 0.00 0.50 1.56 0.02 0.00 0.00 177.57 179.17 1be4 h GLN 17 N -0.61 0.84 0.00 1.57 1.08 0.24 0.47 115.11 118.69 1be4 h GLN 17 Ca -0.06 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1be4 h GLN 17 Cb 0.42 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1be4 h GLN 17 CO 0.09 0.56 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 1be4 h ARG 18 N 0.86 0.00 0.00 1.46 3.08 0.76 -3.46 114.38 117.08 1be4 h ARG 18 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1be4 h ARG 18 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1be4 h ARG 18 CO -0.10 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.21 1be4 n GLY 19 N -1.04 0.57 2.14 0.04 0.00 0.15 -4.93 105.19 102.11 1be4 n GLY 19 Ca -0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 6.50 -0.03 0.99 4.77 -0.61 -4.67 117.00 123.94 1be4 n LEU 20 Ca 0.00 -3.53 -0.13 0.00 -0.03 0.00 0.00 56.01 52.32 1be4 n LEU 20 Cb 0.00 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.17 1be4 n LEU 20 CO 0.00 1.01 0.52 0.24 -1.33 0.00 0.00 177.39 177.83 1be4 h MET 21 N 1.38 -0.02 -0.09 3.23 2.86 -1.89 -2.38 114.93 118.02 1be4 h MET 21 Ca 0.54 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.97 1be4 h MET 21 Cb 2.71 0.00 0.01 0.00 0.06 0.00 0.00 31.60 34.38 1be4 h MET 21 CO 1.00 0.65 -0.76 0.78 1.06 0.00 0.00 176.91 179.64 1be4 h GLY 22 N -0.71 0.74 -0.00 8.32 0.00 -1.97 -1.59 103.07 107.86 1be4 h GLY 22 Ca -0.00 -1.13 0.07 0.00 0.00 0.00 0.00 47.33 46.28 1be4 h GLY 22 CO 0.00 1.00 -0.27 -2.09 0.00 0.00 0.00 176.54 175.18 1be4 h GLU 23 N 0.33 -0.23 0.25 4.80 4.22 -1.87 2.20 114.58 124.29 1be4 h GLU 23 Ca -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1be4 h GLU 23 Cb 1.41 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1be4 h GLU 23 CO 0.15 -0.15 -0.12 0.82 -2.18 0.00 0.00 179.01 177.53 1be4 h ILE 24 N -0.23 0.81 -0.69 2.32 2.04 -1.37 -2.58 117.51 117.80 1be4 h ILE 24 Ca 0.16 -0.45 0.15 0.00 1.00 0.00 0.00 64.86 65.73 1be4 h ILE 24 Cb 0.49 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.52 1be4 h ILE 24 CO -0.46 0.10 0.07 0.40 0.00 0.00 0.00 178.15 178.26 1be4 h ILE 25 N -0.57 0.47 0.00 -0.67 2.04 -0.23 0.63 117.51 119.17 1be4 h ILE 25 Ca -0.03 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1be4 h ILE 25 Cb 0.42 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1be4 h ILE 25 CO 0.06 0.03 0.00 0.50 0.00 0.00 0.00 178.15 178.74 1be4 h LYS 26 N 0.17 0.00 -0.06 2.37 3.64 0.37 -0.26 116.57 122.81 1be4 h LYS 26 Ca 0.38 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.58 1be4 h LYS 26 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1be4 h LYS 26 CO -0.55 0.00 -0.74 0.00 -2.27 0.00 0.00 179.45 175.89 1be4 h ARG 27 N 0.00 0.35 -0.19 1.90 3.08 0.68 -1.25 114.38 118.96 1be4 h ARG 27 Ca 0.00 -0.30 -0.21 0.00 0.07 0.00 0.00 59.98 59.54 1be4 h ARG 27 Cb 0.14 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1be4 h ARG 27 CO 0.00 0.94 -0.72 0.74 -1.07 0.00 0.00 179.97 179.87 1be4 h PHE 28 N 0.24 1.06 0.79 3.04 -1.00 -1.25 -2.23 116.94 117.59 1be4 h PHE 28 Ca -0.03 -0.44 -0.04 0.00 2.81 0.00 0.00 57.97 60.27 1be4 h PHE 28 Cb 1.31 -0.17 0.01 0.00 3.61 0.00 0.00 35.95 40.71 1be4 h PHE 28 CO 0.04 1.27 -0.38 0.93 -1.61 0.00 0.00 178.31 178.56 1be4 h GLU 29 N 0.56 -1.03 0.00 1.51 5.08 -0.93 -2.48 114.58 117.30 1be4 h GLU 29 Ca -0.03 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1be4 h GLU 29 Cb 1.34 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1be4 h GLU 29 CO 0.15 -0.67 0.00 -0.56 -1.00 0.00 0.00 179.01 176.92 1be4 h GLN 30 N -1.13 0.00 0.00 2.33 3.07 -1.22 -1.83 115.11 116.33 1be4 h GLN 30 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.63 1be4 h GLN 30 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.39 1be4 h GLN 30 CO 0.18 0.00 0.00 -0.22 0.09 0.00 0.00 178.83 178.88 1be4 h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -0.94 -3.47 116.57 113.85 1be4 h LYS 31 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1be4 h LYS 31 Cb 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1be4 h LYS 31 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1be4 n GLY 32 N 0.52 0.92 3.89 5.01 0.00 -0.69 -5.10 105.19 109.74 1be4 n GLY 32 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1be4 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1be4 s PHE 33 N -2.00 2.67 -0.04 1.61 0.08 -1.10 -5.00 117.98 114.19 1be4 s PHE 33 Ca 0.00 0.69 0.03 0.00 0.12 0.00 0.00 56.93 57.77 1be4 s PHE 33 Cb 0.00 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 1be4 s PHE 33 CO 0.00 -2.00 -0.12 -0.98 -0.10 0.00 0.00 175.22 172.02 1be4 s ARG 34 N -5.59 1.29 -0.13 0.44 1.70 -0.48 -4.64 118.95 111.55 1be4 s ARG 34 Ca 0.64 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 55.21 1be4 s ARG 34 Cb -0.10 -1.16 -0.01 0.00 -0.57 0.00 0.00 34.95 33.11 1be4 s ARG 34 CO 0.50 0.13 1.00 -1.17 -1.08 0.00 0.00 175.30 174.69 1be4 s LEU 35 N 0.23 4.22 -0.10 -1.89 0.20 -1.26 -0.21 118.68 119.87 1be4 s LEU 35 Ca -0.05 1.49 -0.09 0.00 0.69 0.00 0.00 54.13 56.17 1be4 s LEU 35 Cb -0.11 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.09 1be4 s LEU 35 CO 0.01 -0.48 -0.17 0.52 -0.29 0.00 0.00 176.35 175.95 1be4 n VAL 36 N 4.67 0.95 -4.27 1.68 0.31 0.19 -4.94 118.33 116.91 1be4 n VAL 36 Ca 0.09 0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 64.48 1be4 n VAL 36 Cb 0.48 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 1be4 n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1be4 s ALA 37 N -2.88 3.22 0.00 3.52 0.00 -1.10 -3.28 121.76 121.25 1be4 s ALA 37 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1be4 s ALA 37 Cb 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1be4 s ALA 37 CO 0.21 0.16 0.00 -0.12 0.00 0.00 0.00 175.76 176.00 1be4 n MET 38 N -0.95 0.00 -3.82 0.00 0.00 -1.26 -1.72 117.12 109.37 1be4 n MET 38 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.53 1be4 n MET 38 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.72 1be4 n MET 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1be4 s LYS 39 N 0.00 0.38 -0.35 2.12 -2.85 -0.88 -5.03 119.74 113.14 1be4 s LYS 39 Ca 0.00 0.02 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 1be4 s LYS 39 Cb 0.00 0.17 0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1be4 s LYS 39 CO 0.00 -0.08 1.28 0.12 0.10 0.00 0.00 175.35 176.78 1be4 s PHE 40 N -0.55 2.69 0.06 1.78 5.36 -1.26 -1.70 117.98 124.36 1be4 s PHE 40 Ca -0.06 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 56.76 1be4 s PHE 40 Cb -0.04 -4.03 -0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1be4 s PHE 40 CO 0.01 -1.62 0.04 0.00 -1.46 0.00 0.00 175.22 172.19 1be4 n MET 41 N 7.49 0.31 -3.81 10.12 0.00 0.15 -4.95 117.12 126.42 1be4 n MET 41 Ca 0.14 -0.61 -0.29 0.00 0.00 0.00 0.00 57.70 56.95 1be4 n MET 41 Cb 0.47 0.45 -0.12 0.00 0.00 0.00 0.00 33.22 34.02 1be4 n MET 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1be4 s ARG 42 N -2.26 1.98 0.21 3.17 3.52 -1.26 0.62 118.95 124.92 1be4 s ARG 42 Ca 0.06 -2.83 -0.29 0.00 -0.13 0.00 0.00 55.73 52.54 1be4 s ARG 42 Cb 0.00 -2.97 -0.16 0.00 -1.56 0.00 0.00 34.95 30.26 1be4 s ARG 42 CO 0.04 -1.24 0.72 0.00 -0.81 0.00 0.00 175.30 174.01 1be4 n ALA 43 N 2.56 -2.15 -1.59 6.12 0.00 -1.26 -4.85 120.51 119.33 1be4 n ALA 43 Ca 0.16 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 1be4 n ALA 43 Cb 0.36 -1.75 0.08 0.00 0.00 0.00 0.00 19.45 18.14 1be4 n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1be4 s SER 44 N -0.76 4.81 0.22 0.00 1.04 -1.26 -4.68 113.70 113.07 1be4 s SER 44 Ca 0.65 1.36 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 1be4 s SER 44 Cb -0.89 -2.14 0.22 0.00 0.10 0.00 0.00 66.02 63.31 1be4 s SER 44 CO 0.57 -1.77 1.63 -0.33 0.98 0.00 0.00 173.24 174.31 1be4 h GLU 45 N -0.95 0.68 -0.39 4.02 5.08 -1.95 -0.86 114.58 120.21 1be4 h GLU 45 Ca -0.46 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 57.55 1be4 h GLU 45 Cb 1.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1be4 h GLU 45 CO 0.59 0.89 0.02 -0.44 -1.00 0.00 0.00 179.01 179.07 1be4 h ASP 46 N 0.59 0.58 0.24 1.42 3.32 -1.99 0.19 116.42 120.77 1be4 h ASP 46 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1be4 h ASP 46 Cb 0.78 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1be4 h ASP 46 CO 0.06 0.63 -0.12 0.25 -1.72 0.00 0.00 179.24 178.35 1be4 h LEU 47 N 0.59 -0.27 -0.69 1.55 5.85 -1.82 -1.57 115.31 118.95 1be4 h LEU 47 Ca 0.13 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.76 1be4 h LEU 47 Cb 0.34 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.31 1be4 h LEU 47 CO 0.01 0.23 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.07 1be4 h LEU 48 N -0.95 -0.73 0.25 2.25 3.38 -1.01 1.70 115.31 120.19 1be4 h LEU 48 Ca -0.03 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1be4 h LEU 48 Cb 0.48 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1be4 h LEU 48 CO 0.05 -0.24 -0.43 0.11 0.09 0.00 0.00 178.44 178.02 1be4 h LYS 49 N -0.02 -0.70 -0.01 1.13 1.57 -0.62 0.45 116.57 118.37 1be4 h LYS 49 Ca 0.32 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1be4 h LYS 49 Cb 0.52 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1be4 h LYS 49 CO -0.72 -0.47 0.01 1.49 -0.57 0.00 0.00 179.45 179.19 1be4 h GLU 50 N -0.72 0.00 -0.27 3.15 4.57 0.14 -1.03 114.58 120.41 1be4 h GLU 50 Ca -0.03 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1be4 h GLU 50 Cb 0.67 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1be4 h GLU 50 CO -0.15 0.00 -0.41 1.25 -1.18 0.00 0.00 179.01 178.52 1be4 h HIS 51 N 0.00 0.93 -1.00 0.92 2.76 0.31 -3.24 115.15 115.84 1be4 h HIS 51 Ca 0.00 -0.31 -0.61 0.00 -2.20 0.00 0.00 60.37 57.25 1be4 h HIS 51 Cb 0.02 -0.18 -0.30 0.00 1.55 0.00 0.00 27.41 28.50 1be4 h HIS 51 CO 0.00 1.10 0.78 0.66 -1.30 0.00 0.00 177.93 179.17 1be4 n TYR 52 N -4.16 3.16 0.09 5.26 4.01 0.15 -4.71 117.16 120.96 1be4 n TYR 52 Ca -0.04 -2.57 -0.20 0.00 -0.16 0.00 0.00 57.90 54.93 1be4 n TYR 52 Cb 0.54 -1.25 -0.11 0.00 -0.31 0.00 0.00 39.34 38.21 1be4 n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1be4 h ILE 53 N 1.01 1.32 0.00 -0.72 6.09 -1.24 -3.30 117.51 120.67 1be4 h ILE 53 Ca 0.62 -2.51 0.00 0.00 -1.37 0.00 0.00 64.86 61.60 1be4 h ILE 53 Cb 1.62 2.65 0.00 0.00 0.47 0.00 0.00 36.82 41.56 1be4 h ILE 53 CO 1.40 0.76 0.00 0.47 -3.07 0.00 0.00 178.15 177.71 1be4 n ASP 54 N -3.76 0.00 -2.83 2.19 8.00 -1.26 -1.51 116.55 117.38 1be4 n ASP 54 Ca -0.12 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1be4 n ASP 54 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 -0.58 0.00 0.00 0.64 4.77 -1.26 -4.29 117.00 116.29 1be4 n LEU 55 Ca 0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1be4 n LEU 55 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1be4 n LEU 55 CO 0.00 -0.84 0.00 1.17 -1.33 0.00 0.00 177.39 176.39 1be4 n LYS 56 N 3.82 0.00 -0.41 3.23 4.81 -0.57 -4.50 118.16 124.54 1be4 n LYS 56 Ca 0.00 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 1be4 n LYS 56 Cb 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 35.03 34.74 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 -1.16 2.65 -3.61 3.14 9.92 -1.26 -4.52 116.55 121.70 1be4 n ASP 57 Ca 0.00 -2.10 -0.29 0.00 -0.53 0.00 0.00 54.79 51.87 1be4 n ASP 57 Cb 0.00 -0.76 -0.12 0.00 -0.64 0.00 0.00 41.12 39.60 1be4 n ASP 57 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1be4 s ARG 58 N 3.61 1.03 0.00 -1.24 1.81 -1.26 -5.07 118.95 117.83 1be4 s ARG 58 Ca 0.23 -1.80 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 1be4 s ARG 58 Cb 0.07 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 1be4 s ARG 58 CO -0.01 -1.19 0.00 -2.30 -0.68 0.00 0.00 175.30 171.11 1be4 n PRO 59 N 3.64 0.00 0.00 3.54 -0.01 -1.26 0.56 135.00 141.47 1be4 n PRO 59 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.60 1be4 n PRO 59 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.85 1be4 n PRO 59 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 175.50 177.46 1be4 n PHE 60 N 0.00 0.00 0.00 6.00 -1.74 -1.26 -1.85 117.46 118.61 1be4 n PHE 60 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1be4 n PHE 60 Cb 0.00 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 40.97 1be4 n PHE 60 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1be4 n PHE 61 N -1.16 0.00 0.00 2.97 7.35 0.19 -2.88 117.46 123.93 1be4 n PHE 61 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1be4 n PHE 61 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.00 1.51 3.13 0.00 -0.77 0.33 120.51 124.71 1be4 n ALA 62 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1be4 n ALA 62 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 -0.76 0.10 0.00 0.00 -1.14 -3.30 105.19 100.10 1be4 n GLY 63 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.10 -0.50 0.99 5.85 0.52 -1.68 115.31 120.38 1be4 h LEU 64 Ca 0.00 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.30 1be4 h LEU 64 Cb 0.00 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1be4 h LEU 64 CO 0.00 0.50 0.18 0.58 -0.34 0.00 0.00 178.44 179.36 1be4 h VAL 65 N -0.79 0.83 -0.81 1.05 2.07 -1.58 3.97 116.25 120.98 1be4 h VAL 65 Ca -0.01 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.54 1be4 h VAL 65 Cb 0.58 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 1be4 h VAL 65 CO 0.02 0.06 0.36 0.07 0.02 0.00 0.00 177.57 178.10 1be4 h LYS 66 N 0.35 0.48 0.05 1.57 2.10 -1.59 3.05 116.57 122.57 1be4 h LYS 66 Ca 0.24 -0.03 -0.28 0.00 -2.00 0.00 0.00 60.65 58.59 1be4 h LYS 66 Cb 0.26 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1be4 h LYS 66 CO -0.25 0.31 -1.46 -0.92 -2.00 0.00 0.00 179.45 175.14 1be4 h TYR 67 N 0.49 0.17 -0.43 0.07 3.20 -0.19 0.62 116.97 120.90 1be4 h TYR 67 Ca 0.46 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1be4 h TYR 67 Cb 0.72 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1be4 h TYR 67 CO -0.14 1.16 0.20 0.52 -1.64 0.00 0.00 178.16 178.26 1be4 h MET 68 N 0.03 0.59 0.00 1.82 2.86 1.06 0.34 114.93 121.64 1be4 h MET 68 Ca -0.20 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 1be4 h MET 68 Cb 1.95 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1be4 h MET 68 CO 0.12 0.47 -0.45 1.25 1.06 0.00 0.00 176.91 179.36 1be4 h HIS 69 N 0.60 0.00 0.00 -0.22 -0.00 0.54 -3.31 115.15 112.75 1be4 h HIS 69 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1be4 h HIS 69 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1be4 h HIS 69 CO 0.00 0.45 0.00 -1.13 -0.00 0.00 0.00 177.93 177.26 1be4 n SER 70 N -3.29 0.00 -3.66 3.26 3.41 0.22 -4.82 113.62 108.74 1be4 n SER 70 Ca 0.01 0.04 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1be4 n SER 70 Cb 0.67 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1be4 n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1be4 s GLY 71 N -2.05 -0.35 0.39 5.00 0.00 -1.25 -5.03 107.32 104.03 1be4 s GLY 71 Ca 0.00 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 45.06 1be4 s GLY 71 CO 0.00 0.12 1.04 -4.14 0.00 0.00 0.00 173.10 170.12 1be4 s PRO 72 N -2.75 4.22 0.29 2.90 0.01 -1.26 -4.51 135.00 133.89 1be4 s PRO 72 Ca 0.13 1.51 0.11 0.00 0.01 0.00 0.00 61.00 62.76 1be4 s PRO 72 Cb 0.02 -2.59 -0.05 0.00 0.01 0.00 0.00 34.50 31.89 1be4 s PRO 72 CO -0.02 -0.10 -0.17 0.14 0.01 0.00 0.00 177.00 176.86 1be4 s VAL 73 N -1.64 2.34 -0.91 3.83 -7.23 0.20 -4.19 120.40 112.80 1be4 s VAL 73 Ca 0.57 -2.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.20 1be4 s VAL 73 Cb -0.22 -2.35 0.13 0.00 0.56 0.00 0.00 36.38 34.50 1be4 s VAL 73 CO 0.28 -0.38 1.11 -0.69 -0.31 0.00 0.00 175.10 175.11 1be4 s VAL 74 N -2.59 4.74 -0.12 1.32 1.01 -1.01 0.30 120.40 124.06 1be4 s VAL 74 Ca 0.30 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 1be4 s VAL 74 Cb -0.03 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 1be4 s VAL 74 CO 0.14 -1.49 1.34 0.00 0.00 0.00 0.00 175.10 175.09 1be4 s ALA 75 N 2.67 3.63 0.00 5.51 0.00 -0.69 -1.70 121.76 131.19 1be4 s ALA 75 Ca 0.32 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 1be4 s ALA 75 Cb -0.06 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1be4 s ALA 75 CO -0.09 -1.14 0.17 -1.64 0.00 0.00 0.00 175.76 173.06 1be4 s MET 76 N 3.34 0.53 -0.11 0.00 -1.94 -0.86 -2.07 119.30 118.19 1be4 s MET 76 Ca 0.59 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1be4 s MET 76 Cb -0.25 0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.84 1be4 s MET 76 CO 0.19 -0.13 -0.10 0.08 -0.01 0.00 0.00 175.02 175.05 1be4 s VAL 77 N -1.46 1.15 0.07 -6.03 1.01 -0.70 -1.05 120.40 113.39 1be4 s VAL 77 Ca -0.14 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1be4 s VAL 77 Cb -0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1be4 s VAL 77 CO 0.02 0.38 -0.22 0.26 0.00 0.00 0.00 175.10 175.55 1be4 s TRP 78 N 1.44 1.87 -0.13 5.22 0.52 -0.17 0.53 118.94 128.21 1be4 s TRP 78 Ca 0.01 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.76 1be4 s TRP 78 Cb -0.13 -1.08 0.01 0.00 -1.15 0.00 0.00 33.47 31.11 1be4 s TRP 78 CO -0.06 0.14 -0.22 -2.00 0.02 0.00 0.00 176.95 174.83 1be4 s GLU 79 N -1.44 3.03 0.00 4.98 2.12 0.71 0.54 118.70 128.63 1be4 s GLU 79 Ca 0.08 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1be4 s GLU 79 Cb -0.09 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1be4 s GLU 79 CO 0.03 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1be4 n GLY 80 N 3.98 -0.26 3.65 -1.50 0.00 0.25 -1.39 105.19 109.93 1be4 n GLY 80 Ca -0.20 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1be4 n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1be4 s LEU 81 N 0.00 4.24 -1.34 0.99 2.96 -1.25 -2.36 118.68 121.91 1be4 s LEU 81 Ca 0.00 2.24 -0.07 0.00 -0.22 0.00 0.00 54.13 56.08 1be4 s LEU 81 Cb 0.00 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.18 1be4 s LEU 81 CO 0.00 -1.07 1.07 0.59 -1.32 0.00 0.00 176.35 175.63 1be4 n ASN 82 N 7.70 -4.68 -0.21 3.68 3.02 -1.26 -4.91 115.26 118.60 1be4 n ASN 82 Ca 0.19 -0.62 -0.08 0.00 -0.03 0.00 0.00 54.58 54.04 1be4 n ASN 82 Cb 0.43 -4.81 0.03 0.00 -0.61 0.00 0.00 39.78 34.81 1be4 n ASN 82 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1be4 h VAL 83 N -2.36 1.25 -0.13 2.41 -1.51 -1.74 -2.63 116.25 111.54 1be4 h VAL 83 Ca -0.58 -0.86 0.03 0.00 -1.23 0.00 0.00 66.70 64.07 1be4 h VAL 83 Cb 1.36 0.68 -0.07 0.00 -2.13 0.00 0.00 31.29 31.14 1be4 h VAL 83 CO 0.56 0.32 -0.51 0.58 -1.23 0.00 0.00 177.57 177.29 1be4 h VAL 84 N 0.84 0.04 0.07 7.19 2.07 -1.88 2.17 116.25 126.76 1be4 h VAL 84 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1be4 h VAL 84 Cb 0.31 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1be4 h VAL 84 CO -0.00 0.00 -0.42 0.50 0.02 0.00 0.00 177.57 177.67 1be4 h LYS 85 N -0.56 -0.60 -0.42 1.57 3.64 -1.88 -1.91 116.57 116.41 1be4 h LYS 85 Ca 0.05 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1be4 h LYS 85 Cb 0.67 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1be4 h LYS 85 CO -0.43 -0.40 0.26 1.15 -2.27 0.00 0.00 179.45 177.76 1be4 h THR 86 N -0.63 1.08 0.00 1.00 2.02 -1.22 -1.12 112.91 114.04 1be4 h THR 86 Ca 0.03 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1be4 h THR 86 Cb 0.67 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1be4 h THR 86 CO -0.27 0.10 -0.27 1.23 0.37 0.00 0.00 175.52 176.68 1be4 h GLY 87 N 0.53 0.00 2.00 2.16 0.00 0.37 -1.78 103.07 106.35 1be4 h GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1be4 h GLY 87 CO -0.05 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.70 1be4 h ARG 88 N 0.00 0.00 0.11 4.80 3.08 -0.37 -2.60 114.38 119.40 1be4 h ARG 88 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1be4 h ARG 88 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1be4 h ARG 88 CO 0.04 0.00 -1.46 0.28 -1.07 0.00 0.00 179.97 177.76 1be4 h VAL 89 N 0.00 0.98 -0.54 2.04 2.07 -1.14 -3.06 116.25 116.60 1be4 h VAL 89 Ca 0.00 -2.38 0.13 0.00 0.82 0.00 0.00 66.70 65.27 1be4 h VAL 89 Cb 0.43 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1be4 h VAL 89 CO 0.00 0.70 0.37 0.24 0.02 0.00 0.00 177.57 178.90 1be4 h MET 90 N -0.31 0.14 0.00 1.57 2.86 -1.35 -3.06 114.93 114.78 1be4 h MET 90 Ca -0.32 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1be4 h MET 90 Cb 1.76 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1be4 h MET 90 CO 0.04 0.09 0.00 1.28 1.06 0.00 0.00 176.91 179.39 1be4 n LEU 91 N -4.43 0.11 0.00 1.22 4.32 -0.99 0.25 117.00 117.48 1be4 n LEU 91 Ca 0.09 0.78 0.00 0.00 -0.02 0.00 0.00 56.01 56.86 1be4 n LEU 91 Cb 0.50 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1be4 n LEU 91 CO 0.35 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 1be4 n GLY 92 N -0.49 0.73 3.79 -0.72 0.00 -1.16 0.18 105.19 107.53 1be4 n GLY 92 Ca 0.00 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1be4 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1be4 s GLU 93 N -1.30 3.45 0.33 1.61 2.56 -1.26 -4.78 118.70 119.31 1be4 s GLU 93 Ca 0.00 1.39 0.06 0.00 0.00 0.00 0.00 54.97 56.42 1be4 s GLU 93 Cb 0.00 -2.04 0.73 0.00 2.00 0.00 0.00 34.13 34.82 1be4 s GLU 93 CO 0.00 -0.73 1.85 1.15 -0.56 0.00 0.00 175.26 176.97 1be4 h THR 94 N 1.01 0.84 -3.63 -1.70 2.02 -1.96 -3.36 112.91 106.12 1be4 h THR 94 Ca -0.49 -0.27 -0.62 0.00 0.77 0.00 0.00 66.41 65.80 1be4 h THR 94 Cb 1.23 -0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 67.48 1be4 h THR 94 CO 0.57 0.14 -0.39 0.21 0.37 0.00 0.00 175.52 176.43 1be4 s ASN 95 N -5.70 6.20 0.60 4.18 3.84 -1.26 -4.70 114.94 118.09 1be4 s ASN 95 Ca -0.11 0.22 0.31 0.00 0.21 0.00 0.00 52.86 53.50 1be4 s ASN 95 Cb 0.22 -2.16 1.87 0.00 -0.55 0.00 0.00 41.25 40.64 1be4 s ASN 95 CO 0.80 -0.03 2.26 -0.65 -2.79 0.00 0.00 177.10 176.69 1be4 h PRO 96 N 7.73 0.00 -0.95 0.43 0.11 -1.76 0.32 132.00 137.88 1be4 h PRO 96 Ca -0.36 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.93 1be4 h PRO 96 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1be4 h PRO 96 CO 0.65 0.01 0.60 0.00 -0.21 0.00 0.00 178.00 179.05 1be4 h ALA 97 N 1.99 1.87 -0.01 -0.75 0.00 -1.90 -1.58 119.26 118.88 1be4 h ALA 97 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1be4 h ALA 97 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1be4 h ALA 97 CO 0.00 -0.17 -0.49 -0.25 0.00 0.00 0.00 179.25 178.34 1be4 n ASP 98 N -4.62 1.71 -4.81 0.00 8.00 0.09 -4.99 116.55 111.93 1be4 n ASP 98 Ca 0.20 -1.32 -0.32 0.00 0.71 0.00 0.00 54.79 54.07 1be4 n ASP 98 Cb 0.57 0.46 0.04 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.55 5.43 0.48 -2.24 0.01 -0.60 -4.55 113.70 109.69 1be4 s SER 99 Ca 0.18 1.74 0.05 0.00 1.31 0.00 0.00 55.95 59.23 1be4 s SER 99 Cb 0.18 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1be4 s SER 99 CO 0.59 -1.41 0.16 -0.54 0.41 0.00 0.00 173.24 172.46 1be4 s LYS 100 N -4.60 2.19 0.53 12.44 -0.14 -1.26 -4.54 119.74 124.36 1be4 s LYS 100 Ca 0.61 -2.10 -0.21 0.00 -1.36 0.00 0.00 55.97 52.90 1be4 s LYS 100 Cb -0.15 -1.83 -0.06 0.00 -1.68 0.00 0.00 37.83 34.11 1be4 s LYS 100 CO 0.47 -0.32 1.16 -2.30 -0.76 0.00 0.00 175.35 173.61 1be4 n PRO 101 N -1.35 1.39 0.00 -1.68 -0.01 -1.26 -1.25 135.00 130.84 1be4 n PRO 101 Ca -0.08 0.51 0.00 0.00 -0.01 0.00 0.00 63.50 63.93 1be4 n PRO 101 Cb 0.66 -2.33 0.00 0.00 -0.01 0.00 0.00 33.50 31.82 1be4 n PRO 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1be4 n GLY 102 N 1.01 3.29 3.89 -1.23 0.00 -1.26 -4.98 105.19 105.92 1be4 n GLY 102 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.50 1.99 -0.04 2.61 -4.23 -0.38 -4.95 115.64 108.14 1be4 s THR 103 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1be4 s THR 103 Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1be4 s THR 103 CO 0.00 0.00 0.36 0.40 -0.54 0.00 0.00 174.62 174.84 1be4 h ILE 104 N -1.30 0.00 -0.06 2.99 2.04 1.42 -3.15 117.51 119.46 1be4 h ILE 104 Ca -0.46 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1be4 h ILE 104 Cb 1.30 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1be4 h ILE 104 CO 0.57 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.84 1be4 h ARG 105 N -0.69 0.00 -0.28 2.37 3.08 -0.95 -2.70 114.38 115.21 1be4 h ARG 105 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 1be4 h ARG 105 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1be4 h ARG 105 CO 0.04 0.00 -0.49 0.78 -1.07 0.00 0.00 179.97 179.23 1be4 h GLY 106 N 0.00 0.84 2.00 0.04 0.00 -1.70 -2.83 103.07 101.41 1be4 h GLY 106 Ca 0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 1be4 h GLY 106 CO -0.00 0.83 -0.26 -0.55 0.00 0.00 0.00 176.54 176.56 1be4 h ASP 107 N 0.60 0.00 0.00 0.19 5.19 -1.48 -3.40 116.42 117.52 1be4 h ASP 107 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1be4 h ASP 107 Cb 1.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1be4 h ASP 107 CO 0.11 0.26 0.00 0.49 -3.12 0.00 0.00 179.24 176.98 1be4 n PHE 108 N -3.37 0.00 -4.15 4.55 3.72 -1.03 -5.10 117.46 112.08 1be4 n PHE 108 Ca 0.00 -0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1be4 n PHE 108 Cb 0.48 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.30 0.00 -4.82 0.00 -0.00 -1.26 -4.89 119.36 108.09 1be4 n ILE 110 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.43 1be4 n ILE 110 Cb 0.23 -0.26 -0.13 0.00 -0.00 0.00 0.00 39.64 39.47 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 -1.60 2.39 0.30 0.38 -0.44 -1.26 -3.58 119.66 115.84 1be4 s GLN 111 Ca 0.00 -0.78 0.02 0.00 -2.50 0.00 0.00 55.36 52.11 1be4 s GLN 111 Cb 0.00 -2.33 0.75 0.00 -1.64 0.00 0.00 33.01 29.79 1be4 s GLN 111 CO 0.00 0.60 1.61 0.28 0.50 0.00 0.00 175.29 178.28 1be4 h VAL 112 N 4.20 0.17 0.00 1.34 2.07 -1.94 -0.20 116.25 121.88 1be4 h VAL 112 Ca -0.47 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1be4 h VAL 112 Cb 1.15 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1be4 h VAL 112 CO 0.50 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1be4 n GLY 113 N -1.42 -1.06 2.32 2.17 0.00 -1.26 -3.46 105.19 102.47 1be4 n GLY 113 Ca 0.23 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.38 1.35 0.00 1.61 1.74 -0.09 -4.96 116.66 114.93 1be4 n ARG 114 Ca 0.08 -3.63 0.13 0.00 -0.77 0.00 0.00 57.85 53.65 1be4 n ARG 114 Cb 0.19 -1.76 0.57 0.00 -1.02 0.00 0.00 32.46 30.44 1be4 n ARG 114 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1be4 n ASN 115 N 0.31 0.00 0.00 0.55 6.94 -1.17 -4.28 115.26 117.60 1be4 n ASN 115 Ca 0.26 0.42 0.00 0.00 -0.02 0.00 0.00 54.58 55.24 1be4 n ASN 115 Cb 0.60 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.47 0.00 0.00 1.53 -5.35 -1.26 -4.84 119.36 107.97 1be4 n ILE 116 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1be4 n ILE 116 Cb 0.29 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 1be4 n ILE 116 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1be4 n ILE 117 N -1.21 0.00 -3.83 7.28 3.06 -1.26 -2.04 119.36 121.36 1be4 n ILE 117 Ca 0.00 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.14 1be4 n ILE 117 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 1be4 n ILE 117 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 1be4 s HIS 118 N -2.00 -0.01 0.05 9.51 5.65 0.38 -4.83 115.29 124.04 1be4 s HIS 118 Ca 0.00 -0.11 0.04 0.00 0.25 0.00 0.00 55.06 55.24 1be4 s HIS 118 Cb 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 32.58 31.38 1be4 s HIS 118 CO 0.00 -0.40 -0.11 0.20 -0.65 0.00 0.00 174.74 173.78 1be4 s GLY 119 N -1.77 0.66 0.57 1.59 0.00 -1.26 -0.90 107.32 106.21 1be4 s GLY 119 Ca -0.09 -0.82 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 1be4 s GLY 119 CO -0.01 -0.85 1.25 -0.56 0.00 0.00 0.00 173.10 172.94 1be4 s SER 120 N -1.47 5.25 -0.04 1.64 0.01 -0.54 -4.89 113.70 113.66 1be4 s SER 120 Ca -0.05 2.51 0.05 0.00 1.31 0.00 0.00 55.95 59.77 1be4 s SER 120 Cb -0.09 -2.61 0.23 0.00 0.21 0.00 0.00 66.02 63.75 1be4 s SER 120 CO 0.01 -1.56 0.99 -0.90 0.41 0.00 0.00 173.24 172.19 1be4 n ASP 121 N -1.35 1.92 0.00 2.44 5.75 -1.26 -4.86 116.55 119.19 1be4 n ASP 121 Ca 0.12 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1be4 n ASP 121 Cb 0.48 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1be4 n ASP 121 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1be4 n SER 122 N 0.17 0.00 -0.06 -1.12 3.41 -1.26 -4.95 113.62 109.81 1be4 n SER 122 Ca 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1be4 n SER 122 Cb 0.39 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1be4 n SER 122 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1be4 n VAL 123 N -1.68 -0.10 -0.34 -3.33 0.31 -1.26 0.31 118.33 112.24 1be4 n VAL 123 Ca 0.00 0.61 0.03 0.00 -0.01 0.00 0.00 64.34 64.97 1be4 n VAL 123 Cb 0.00 -0.78 0.11 0.00 -0.91 0.00 0.00 33.84 32.26 1be4 n VAL 123 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1be4 h GLU 124 N 0.00 -0.01 0.47 5.55 4.81 -1.98 -0.75 114.58 122.67 1be4 h GLU 124 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1be4 h GLU 124 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1be4 h GLU 124 CO -0.14 -0.00 -0.31 0.77 -0.73 0.00 0.00 179.01 178.60 1be4 h SER 125 N -0.01 -0.78 -0.64 1.04 0.02 0.46 -2.35 113.55 111.30 1be4 h SER 125 Ca 0.42 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.48 1be4 h SER 125 Cb 0.67 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.37 1be4 h SER 125 CO -0.97 -0.48 -0.38 0.00 -1.14 0.00 0.00 176.83 173.87 1be4 n ALA 126 N -2.53 -0.41 0.02 3.77 0.00 0.12 0.59 120.51 122.08 1be4 n ALA 126 Ca -0.11 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 1be4 n ALA 126 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1be4 n ALA 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1be4 h GLU 127 N 0.00 -0.26 0.43 0.00 3.07 -1.30 2.98 114.58 119.51 1be4 h GLU 127 Ca 0.10 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1be4 h GLU 127 Cb 0.26 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1be4 h GLU 127 CO -0.60 -0.17 -0.21 -0.22 -1.40 0.00 0.00 179.01 176.41 1be4 h LYS 128 N -0.26 -0.57 -0.56 2.33 3.64 -0.50 0.38 116.57 121.03 1be4 h LYS 128 Ca 0.08 0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1be4 h LYS 128 Cb 0.38 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1be4 h LYS 128 CO -0.23 -0.38 -0.08 0.93 -2.27 0.00 0.00 179.45 177.43 1be4 h GLU 129 N -0.59 1.04 -0.55 1.90 5.08 0.10 0.67 114.58 122.22 1be4 h GLU 129 Ca -0.06 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1be4 h GLU 129 Cb 0.46 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1be4 h GLU 129 CO 0.09 1.06 0.37 0.82 -1.00 0.00 0.00 179.01 180.35 1be4 h ILE 130 N 0.92 1.14 -0.10 3.13 2.04 0.55 0.17 117.51 125.36 1be4 h ILE 130 Ca 0.15 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1be4 h ILE 130 Cb 0.64 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1be4 h ILE 130 CO 0.04 0.14 -0.08 0.00 0.00 0.00 0.00 178.15 178.25 1be4 h ALA 131 N 1.20 -0.00 -0.20 1.87 0.00 0.80 0.24 119.26 123.17 1be4 h ALA 131 Ca 0.20 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1be4 h ALA 131 Cb -0.09 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1be4 h ALA 131 CO -0.04 -0.54 0.15 1.25 0.00 0.00 0.00 179.25 180.06 1be4 h LEU 132 N -0.10 0.00 0.00 0.00 7.12 0.88 -2.88 115.31 120.33 1be4 h LEU 132 Ca 0.07 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.90 1be4 h LEU 132 Cb 0.20 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1be4 h LEU 132 CO -0.16 0.00 -1.87 0.79 -0.13 0.00 0.00 178.44 177.07 1be4 n TRP 133 N -4.41 0.40 -4.46 1.25 7.02 0.53 -5.00 117.44 112.78 1be4 n TRP 133 Ca 0.02 0.13 -0.22 0.00 -1.02 0.00 0.00 57.50 56.40 1be4 n TRP 133 Cb 0.28 -0.89 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 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 -2.98 2.06 -0.09 -5.99 0.40 0.79 -5.08 117.98 107.08 1be4 s PHE 134 Ca -0.06 -0.67 0.04 0.00 -0.60 0.00 0.00 56.93 55.63 1be4 s PHE 134 Cb 0.09 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 1be4 s PHE 134 CO 0.84 0.33 -0.21 1.03 0.70 0.00 0.00 175.22 177.92 1be4 s ARG 135 N -3.71 2.97 0.18 0.44 0.52 -1.26 -4.80 118.95 113.29 1be4 s ARG 135 Ca 0.31 -0.83 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 1be4 s ARG 135 Cb 0.04 -2.35 0.62 0.00 0.52 0.00 0.00 34.95 33.78 1be4 s ARG 135 CO 0.13 0.27 0.79 -2.30 0.02 0.00 0.00 175.30 174.21 1be4 n PRO 136 N 3.30 -0.03 0.14 3.54 -0.02 -1.26 0.27 135.00 140.94 1be4 n PRO 136 Ca -0.18 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 1be4 n PRO 136 Cb 0.53 -1.23 0.21 0.00 -0.02 0.00 0.00 33.50 32.98 1be4 n PRO 136 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1be4 h GLU 137 N 0.00 0.05 0.00 -0.52 3.07 -2.05 -3.08 114.58 112.05 1be4 h GLU 137 Ca 0.40 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 1be4 h GLU 137 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1be4 h GLU 137 CO -0.40 0.59 -0.17 0.93 -1.40 0.00 0.00 179.01 178.56 1be4 h GLU 138 N 0.04 0.00 -6.97 2.33 5.08 0.35 -3.42 114.58 111.99 1be4 h GLU 138 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1be4 h GLU 138 Cb 0.98 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.29 1be4 h GLU 138 CO 0.07 0.17 0.50 -0.51 -1.00 0.00 0.00 179.01 178.24 1be4 s LEU 139 N -7.85 4.11 -0.10 1.33 2.01 -1.16 -4.39 118.68 112.62 1be4 s LEU 139 Ca -0.03 2.33 -0.02 0.00 0.01 0.00 0.00 54.13 56.41 1be4 s LEU 139 Cb 0.14 -4.13 0.04 0.00 0.01 0.00 0.00 46.19 42.25 1be4 s LEU 139 CO 0.64 -0.79 0.03 -0.69 1.01 0.00 0.00 176.35 176.55 1be4 s VAL 140 N -1.48 0.22 -0.00 -1.59 1.01 -1.20 -4.95 120.40 112.40 1be4 s VAL 140 Ca 0.60 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 1be4 s VAL 140 Cb -0.30 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1be4 s VAL 140 CO 0.37 0.09 0.70 0.20 0.00 0.00 0.00 175.10 176.46 1be4 s ASN 141 N 2.03 7.08 -0.11 3.32 0.01 -1.26 -4.79 114.94 121.22 1be4 s ASN 141 Ca 0.04 1.30 -0.33 0.00 -0.71 0.00 0.00 52.86 53.15 1be4 s ASN 141 Cb -0.13 -2.42 0.13 0.00 0.41 0.00 0.00 41.25 39.23 1be4 s ASN 141 CO -0.06 -0.00 1.17 -0.72 -1.51 0.00 0.00 177.10 175.98 1be4 s TYR 142 N 0.18 -0.14 0.12 2.20 1.13 -1.26 -5.19 117.35 114.39 1be4 s TYR 142 Ca 0.36 0.05 0.06 0.00 -1.41 0.00 0.00 57.07 56.14 1be4 s TYR 142 Cb -0.19 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1be4 s TYR 142 CO 0.20 -0.29 -0.15 0.21 -2.51 0.00 0.00 175.55 173.01 1be4 s LYS 143 N -2.55 1.03 0.91 -3.49 2.36 -1.26 -5.13 119.74 111.61 1be4 s LYS 143 Ca 0.10 -1.23 -0.10 0.00 -2.55 0.00 0.00 55.97 52.18 1be4 s LYS 143 Cb 0.00 -0.95 0.14 0.00 -1.05 0.00 0.00 37.83 35.98 1be4 s LYS 143 CO -0.05 0.19 1.12 -1.12 1.55 0.00 0.00 175.35 177.04 1be4 s SER 144 N -2.41 3.04 0.00 1.43 0.01 -1.26 -4.89 113.70 109.62 1be4 s SER 144 Ca 0.09 2.02 0.22 0.00 1.31 0.00 0.00 55.95 59.59 1be4 s SER 144 Cb -0.05 -2.51 1.03 0.00 0.21 0.00 0.00 66.02 64.69 1be4 s SER 144 CO 0.03 -3.00 1.70 0.00 0.41 0.00 0.00 173.24 172.38 1be4 n ALA 146 N -0.22 -0.99 0.28 0.00 0.00 -1.26 -4.90 120.51 113.41 1be4 n ALA 146 Ca 0.16 -1.17 0.14 0.00 0.00 0.00 0.00 53.44 52.58 1be4 n ALA 146 Cb 0.22 -1.50 0.79 0.00 0.00 0.00 0.00 19.45 18.95 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 2.56 0.00 0.00 0.00 5.75 -1.94 -2.57 115.11 118.92 1be4 h GLN 147 Ca -0.20 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1be4 h GLN 147 Cb 1.16 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.71 1be4 h GLN 147 CO 0.05 0.09 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.29 1be4 h ASN 148 N 0.00 0.00 -0.33 -0.69 2.35 -1.91 0.04 115.58 115.03 1be4 h ASN 148 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1be4 h ASN 148 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1be4 h ASN 148 CO 0.01 0.12 0.00 0.79 -1.65 0.00 0.00 177.43 176.70 1be4 n TRP 149 N -3.70 0.93 0.00 1.19 7.02 -0.97 -4.25 117.44 117.66 1be4 n TRP 149 Ca -0.02 -0.74 0.00 0.00 -1.02 0.00 0.00 57.50 55.72 1be4 n TRP 149 Cb 0.23 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1be4 n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1be4 n ILE 150 N -0.03 0.00 -3.96 -0.99 2.08 -1.07 -5.03 119.36 110.37 1be4 n ILE 150 Ca 0.19 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.41 1be4 n ILE 150 Cb 0.79 -0.09 -0.10 0.00 -0.75 0.00 0.00 39.64 39.49 1be4 n ILE 150 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1be4 s TYR 151 N -1.55 0.23 -1.22 1.39 2.02 -0.02 -5.09 117.35 113.11 1be4 s TYR 151 Ca 0.00 -0.52 0.10 0.00 -0.37 0.00 0.00 57.07 56.28 1be4 s TYR 151 Cb 0.00 -0.17 0.08 0.00 -0.40 0.00 0.00 41.96 41.46 1be4 s TYR 151 CO 0.00 -0.29 0.81 -0.85 -1.57 0.00 0.00 175.55 173.64