#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be2 s ASN 2 N 0.00 1.55 0.11 1.45 2.47 -1.26 -5.04 114.94 114.22 1be2 s ASN 2 Ca 0.00 -1.09 -0.21 0.00 0.42 0.00 0.00 52.86 51.98 1be2 s ASN 2 Cb 0.00 0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.80 1be2 s ASN 2 CO 0.00 -0.45 1.23 0.00 -3.72 0.00 0.00 177.10 174.16 1be2 h GLY 4 N 0.00 1.90 0.85 0.00 0.00 -1.98 0.73 103.07 104.58 1be2 h GLY 4 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1be2 h GLY 4 CO -0.63 -0.44 -0.15 -1.61 0.00 0.00 0.00 176.54 173.72 1be2 h GLN 5 N 0.33 -0.32 -0.33 4.80 4.15 -1.65 0.20 115.11 122.29 1be2 h GLN 5 Ca 0.69 0.02 0.04 0.00 0.77 0.00 0.00 58.65 60.17 1be2 h GLN 5 Cb 1.50 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 29.20 1be2 h GLN 5 CO -0.60 -0.21 -0.47 -0.24 -1.93 0.00 0.00 178.83 175.37 1be2 h VAL 6 N -0.33 0.00 0.42 2.39 3.04 0.67 0.44 116.25 122.88 1be2 h VAL 6 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1be2 h VAL 6 Cb 0.31 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.57 1be2 h VAL 6 CO -0.02 0.00 -0.38 -0.78 -1.01 0.00 0.00 177.57 175.38 1be2 h ASP 7 N -0.35 -1.01 -1.12 3.17 1.82 -1.15 0.38 116.42 118.16 1be2 h ASP 7 Ca 0.06 0.08 0.31 0.00 -0.39 0.00 0.00 57.03 57.09 1be2 h ASP 7 Cb 0.51 0.33 -0.09 0.00 0.68 0.00 0.00 39.33 40.76 1be2 h ASP 7 CO -0.49 -0.54 0.73 0.28 -1.61 0.00 0.00 179.24 177.61 1be2 h SER 8 N -0.81 0.34 0.01 2.28 0.02 -0.08 0.28 113.55 115.59 1be2 h SER 8 Ca -0.04 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1be2 h SER 8 Cb 0.71 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1be2 h SER 8 CO -0.04 0.02 -0.10 0.50 -1.14 0.00 0.00 176.83 176.07 1be2 h LYS 9 N 0.28 0.04 -0.23 3.45 3.11 0.88 -3.36 116.57 120.74 1be2 h LYS 9 Ca 0.64 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 58.39 1be2 h LYS 9 Cb 1.83 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.08 1be2 h LYS 9 CO -0.28 0.99 0.07 0.52 -2.81 0.00 0.00 179.45 177.93 1be2 h MET 10 N -0.87 0.37 -0.06 1.90 2.86 0.85 -3.38 114.93 116.60 1be2 h MET 10 Ca -0.02 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1be2 h MET 10 Cb 1.04 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1be2 h MET 10 CO 0.02 0.46 -0.04 1.17 1.06 0.00 0.00 176.91 179.58 1be2 n LYS 11 N -4.75 -0.03 -0.17 1.72 0.00 0.87 0.44 118.16 116.24 1be2 n LYS 11 Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 58.31 58.35 1be2 n LYS 11 Cb 0.16 -0.16 0.06 0.00 0.00 0.00 0.00 35.03 35.09 1be2 n LYS 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1be2 h PRO 12 N 0.00 0.49 -0.53 1.64 0.13 -1.81 0.03 132.00 131.94 1be2 h PRO 12 Ca 0.01 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 1be2 h PRO 12 Cb 0.03 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 1be2 h PRO 12 CO -0.06 0.32 0.04 0.00 -0.23 0.00 0.00 178.00 178.08 1be2 h LEU 14 N 0.82 -0.46 -0.43 0.00 3.38 0.12 0.70 115.31 119.43 1be2 h LEU 14 Ca 0.16 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1be2 h LEU 14 Cb 0.43 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1be2 h LEU 14 CO 0.01 -0.17 -0.30 0.00 0.09 0.00 0.00 178.44 178.08 1be2 h THR 15 N -0.06 0.26 -0.23 0.22 1.03 -0.18 -1.09 112.91 112.86 1be2 h THR 15 Ca 0.18 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.62 1be2 h THR 15 Cb 0.33 0.26 -0.07 0.00 -1.07 0.00 0.00 68.15 67.60 1be2 h THR 15 CO -0.41 0.00 -0.54 0.22 -0.01 0.00 0.00 175.52 174.79 1be2 h TYR 16 N -0.21 -1.61 -0.35 0.00 3.20 0.95 0.79 116.97 119.75 1be2 h TYR 16 Ca 0.19 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.23 1be2 h TYR 16 Cb 0.52 0.73 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1be2 h TYR 16 CO -0.53 -0.51 0.32 -0.39 -1.64 0.00 0.00 178.16 175.41 1be2 h VAL 17 N -0.50 0.53 0.00 1.81 -1.51 0.17 0.15 116.25 116.91 1be2 h VAL 17 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1be2 h VAL 17 Cb 0.63 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1be2 h VAL 17 CO -0.49 0.00 -1.45 0.00 -1.23 0.00 0.00 177.57 174.41 1be2 n GLN 18 N -3.96 0.48 0.00 5.19 10.64 -0.33 0.52 117.38 129.92 1be2 n GLN 18 Ca 0.06 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1be2 n GLN 18 Cb 0.49 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 1be2 n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1be2 n GLY 19 N 1.30 -0.11 3.49 2.61 0.00 0.26 -4.81 105.19 107.93 1be2 n GLY 19 Ca -0.01 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1be2 n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1be2 s GLY 20 N 0.00 1.94 -1.19 -0.02 0.00 -0.59 -4.68 107.32 102.78 1be2 s GLY 20 Ca 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 44.72 42.75 1be2 s GLY 20 CO 0.00 -1.98 2.58 -1.55 0.00 0.00 0.00 173.10 172.15 1be2 n PRO 21 N -0.66 4.06 -3.09 2.90 -0.04 -1.26 -4.65 135.00 132.27 1be2 n PRO 21 Ca -0.05 -3.02 -0.15 0.00 -0.04 0.00 0.00 63.50 60.24 1be2 n PRO 21 Cb 0.61 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 1be2 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1be2 n GLY 22 N 1.91 3.62 3.36 0.55 0.00 -1.26 -4.43 105.19 108.93 1be2 n GLY 22 Ca 0.62 -2.27 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 1be2 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1be2 s PRO 23 N -2.93 3.77 0.00 1.61 0.04 -1.26 -5.07 135.00 131.16 1be2 s PRO 23 Ca 0.04 -2.53 0.00 0.00 0.04 0.00 0.00 61.00 58.56 1be2 s PRO 23 Cb -0.00 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1be2 s PRO 23 CO 0.03 -1.39 0.00 0.43 0.04 0.00 0.00 177.00 176.10 1be2 n SER 24 N 4.24 0.00 0.00 6.66 7.64 -1.26 -4.58 113.62 126.31 1be2 n SER 24 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1be2 n SER 24 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1be2 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1be2 n GLY 25 N -0.55 3.52 0.35 0.23 0.00 -1.26 -4.97 105.19 102.51 1be2 n GLY 25 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1be2 n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1be2 h GLU 26 N 0.00 -0.32 -0.04 1.61 4.11 -2.01 -2.82 114.58 115.11 1be2 h GLU 26 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.49 1be2 h GLU 26 Cb 0.00 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1be2 h GLU 26 CO 0.00 -0.22 -0.43 0.00 0.07 0.00 0.00 179.01 178.44 1be2 h ASN 29 N 0.00 -1.07 -0.39 0.00 -1.24 -1.37 0.55 115.58 112.07 1be2 h ASN 29 Ca 0.12 0.12 0.06 0.00 0.71 0.00 0.00 56.30 57.31 1be2 h ASN 29 Cb 0.29 0.41 -0.06 0.00 0.73 0.00 0.00 38.32 39.69 1be2 h ASN 29 CO -0.64 -0.31 0.05 1.23 -1.29 0.00 0.00 177.43 176.46 1be2 h GLY 30 N -0.38 0.43 0.20 1.57 0.00 0.70 -1.75 103.07 103.84 1be2 h GLY 30 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1be2 h GLY 30 CO -0.26 -0.06 -0.44 -2.08 0.00 0.00 0.00 176.54 173.70 1be2 h VAL 31 N 0.16 0.00 -0.49 4.60 2.07 0.39 0.12 116.25 123.11 1be2 h VAL 31 Ca 0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1be2 h VAL 31 Cb 0.24 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.91 1be2 h VAL 31 CO -0.27 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 176.99 1be2 h ARG 32 N -0.70 -0.22 -0.30 1.57 3.08 -0.77 0.30 114.38 117.34 1be2 h ARG 32 Ca -0.02 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1be2 h ARG 32 Cb 0.67 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 1be2 h ARG 32 CO -0.19 -0.15 -0.23 -0.44 -1.07 0.00 0.00 179.97 177.90 1be2 h ASP 33 N -0.23 -0.75 -0.76 7.04 5.19 -0.73 0.44 116.42 126.62 1be2 h ASP 33 Ca 0.19 0.15 0.06 0.00 -0.62 0.00 0.00 57.03 56.81 1be2 h ASP 33 Cb 0.55 0.37 -0.06 0.00 0.18 0.00 0.00 39.33 40.37 1be2 h ASP 33 CO -0.61 -0.26 0.45 -0.07 -3.12 0.00 0.00 179.24 175.63 1be2 h LEU 34 N -0.21 0.68 -2.42 1.55 4.07 0.12 0.45 115.31 119.56 1be2 h LEU 34 Ca 0.16 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 1be2 h LEU 34 Cb 0.45 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1be2 h LEU 34 CO -0.42 0.43 -0.01 -0.74 -1.08 0.00 0.00 178.44 176.63 1be2 h HIS 35 N 0.81 0.00 0.01 1.13 2.76 0.32 0.13 115.15 120.30 1be2 h HIS 35 Ca 0.34 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.14 1be2 h HIS 35 Cb 0.19 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 1be2 h HIS 35 CO -0.06 0.01 -2.32 0.09 -1.30 0.00 0.00 177.93 174.35 1be2 n ASN 36 N -3.87 0.68 0.13 3.26 3.02 0.11 -4.44 115.26 114.15 1be2 n ASN 36 Ca -0.03 0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 1be2 n ASN 36 Cb 0.09 0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 39.57 1be2 n ASN 36 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1be2 h GLN 37 N 0.00 0.49 -5.07 3.52 4.20 0.01 -3.42 115.11 114.83 1be2 h GLN 37 Ca -0.52 -0.78 -0.64 0.00 0.06 0.00 0.00 58.65 56.77 1be2 h GLN 37 Cb 2.13 0.28 -0.16 0.00 0.30 0.00 0.00 27.48 30.04 1be2 h GLN 37 CO 0.01 1.37 -0.29 0.00 -0.67 0.00 0.00 178.83 179.25 1be2 s ALA 38 N -2.71 3.54 -0.16 3.87 0.00 0.42 -4.87 121.76 121.86 1be2 s ALA 38 Ca -0.08 -0.95 0.12 0.00 0.00 0.00 0.00 51.96 51.06 1be2 s ALA 38 Cb 0.05 -2.70 -0.18 0.00 0.00 0.00 0.00 23.12 20.29 1be2 s ALA 38 CO 0.93 -0.74 0.02 1.04 0.00 0.00 0.00 175.76 177.01 1be2 n GLN 39 N 5.31 1.38 -2.18 0.00 1.13 -1.26 -4.59 117.38 117.16 1be2 n GLN 39 Ca -0.09 0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 54.95 1be2 n GLN 39 Cb 0.51 -1.39 -0.00 0.00 0.11 0.00 0.00 30.24 29.46 1be2 n GLN 39 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1be2 n SER 40 N -2.63 1.90 -3.09 1.08 2.88 -1.26 -4.93 113.62 107.56 1be2 n SER 40 Ca -0.26 -1.15 -0.35 0.00 -1.33 0.00 0.00 58.87 55.78 1be2 n SER 40 Cb 0.98 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 64.44 1be2 n SER 40 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1be2 n SER 41 N -1.20 7.49 0.08 -3.46 7.64 -1.26 -2.38 113.62 120.54 1be2 n SER 41 Ca -0.01 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1be2 n SER 41 Cb 0.04 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1be2 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1be2 n GLY 42 N 1.65 -0.16 0.11 0.23 0.00 -1.26 -4.71 105.19 101.04 1be2 n GLY 42 Ca 0.59 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.43 1be2 n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1be2 n ASP 43 N -3.16 1.92 -0.07 1.61 5.68 -1.20 -3.20 116.55 118.12 1be2 n ASP 43 Ca 0.00 0.39 -0.09 0.00 -0.50 0.00 0.00 54.79 54.58 1be2 n ASP 43 Cb 0.04 -0.82 -0.02 0.00 -1.14 0.00 0.00 41.12 39.18 1be2 n ASP 43 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1be2 h ARG 44 N -1.00 0.36 -0.72 0.11 2.43 -1.72 0.69 114.38 114.53 1be2 h ARG 44 Ca -0.31 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1be2 h ARG 44 Cb 1.20 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.56 1be2 h ARG 44 CO -0.19 0.25 -0.52 0.37 -1.51 0.00 0.00 179.97 178.37 1be2 h GLN 45 N 0.36 -0.17 -0.36 0.20 -0.00 -1.74 0.46 115.11 113.86 1be2 h GLN 45 Ca 0.10 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.80 1be2 h GLN 45 Cb -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.42 1be2 h GLN 45 CO -0.02 -0.11 -0.49 1.15 0.00 0.00 0.00 178.83 179.35 1be2 h THR 46 N -0.18 0.00 -0.34 2.39 2.02 -1.25 0.84 112.91 116.39 1be2 h THR 46 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.40 1be2 h THR 46 Cb 0.52 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 1be2 h THR 46 CO -0.78 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 175.31 1be2 h VAL 47 N -0.35 0.18 0.05 3.16 2.07 0.18 -2.13 116.25 119.40 1be2 h VAL 47 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1be2 h VAL 47 Cb 0.52 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1be2 h VAL 47 CO -0.52 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 176.80 1be2 h ASN 49 N -0.37 -0.44 0.51 0.00 2.35 -0.78 0.11 115.58 116.97 1be2 h ASN 49 Ca -0.00 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1be2 h ASN 49 Cb 0.37 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1be2 h ASN 49 CO -0.15 -0.17 -0.24 0.00 -1.65 0.00 0.00 177.43 175.22 1be2 h LEU 51 N -0.78 -0.08 0.16 0.00 6.46 0.18 0.74 115.31 121.99 1be2 h LEU 51 Ca -0.07 0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1be2 h LEU 51 Cb 0.52 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1be2 h LEU 51 CO 0.11 -0.28 -0.08 0.50 -0.62 0.00 0.00 178.44 178.07 1be2 h LYS 52 N 0.10 -0.21 -0.86 1.25 3.64 -0.79 -1.96 116.57 117.74 1be2 h LYS 52 Ca 0.64 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 60.12 1be2 h LYS 52 Cb 1.41 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 33.16 1be2 h LYS 52 CO -0.77 0.18 -0.54 0.78 -2.27 0.00 0.00 179.45 176.83 1be2 h GLY 53 N -0.66 -0.69 0.28 5.01 0.00 0.34 0.48 103.07 107.83 1be2 h GLY 53 Ca -0.02 0.72 0.05 0.00 0.00 0.00 0.00 47.33 48.08 1be2 h GLY 53 CO 0.04 -0.03 -0.23 0.16 0.00 0.00 0.00 176.54 176.47 1be2 h ILE 54 N -0.09 0.43 -1.45 2.60 3.07 -0.58 0.26 117.51 121.75 1be2 h ILE 54 Ca 0.18 0.00 0.44 0.00 1.55 0.00 0.00 64.86 67.02 1be2 h ILE 54 Cb 0.48 0.43 -0.09 0.00 -0.27 0.00 0.00 36.82 37.37 1be2 h ILE 54 CO -0.87 0.00 1.00 0.00 -1.05 0.00 0.00 178.15 177.24 1be2 h ALA 55 N 0.69 3.12 0.07 0.16 0.00 0.70 1.16 119.26 125.16 1be2 h ALA 55 Ca 0.11 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1be2 h ALA 55 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1be2 h ALA 55 CO -0.31 -1.64 -1.11 0.00 0.00 0.00 0.00 179.25 176.20 1be2 h ARG 56 N 0.07 0.20 -1.62 0.00 3.08 0.11 -3.33 114.38 112.89 1be2 h ARG 56 Ca 0.77 -0.31 -0.73 0.00 0.07 0.00 0.00 59.98 59.78 1be2 h ARG 56 Cb 2.75 0.11 -0.27 0.00 0.08 0.00 0.00 29.97 32.64 1be2 h ARG 56 CO -0.18 1.12 0.98 0.41 -1.07 0.00 0.00 179.97 181.22 1be2 n GLY 57 N 1.34 5.61 3.51 0.04 0.00 0.40 -4.94 105.19 111.15 1be2 n GLY 57 Ca -0.06 -2.39 -0.25 0.00 0.00 0.00 0.00 46.02 43.33 1be2 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1be2 s ILE 58 N -4.89 2.26 0.09 -0.61 1.01 -0.99 -4.92 121.20 113.14 1be2 s ILE 58 Ca 0.57 -2.26 -0.34 0.00 0.00 0.00 0.00 60.65 58.62 1be2 s ILE 58 Cb 0.46 -2.51 -0.16 0.00 0.01 0.00 0.00 42.46 40.26 1be2 s ILE 58 CO -0.26 -0.28 1.59 -0.74 0.00 0.00 0.00 174.94 175.26 1be2 h HIS 59 N 2.13 -1.13 0.00 3.97 2.76 -1.92 -3.41 115.15 117.55 1be2 h HIS 59 Ca -0.41 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.53 1be2 h HIS 59 Cb 1.25 0.43 -0.15 0.00 1.55 0.00 0.00 27.41 30.49 1be2 h HIS 59 CO 0.77 -0.60 -0.45 -1.71 -1.30 0.00 0.00 177.93 174.65 1be2 n ASN 60 N -5.53 -2.50 -2.06 3.26 4.05 -1.26 -5.13 115.26 106.09 1be2 n ASN 60 Ca -0.12 -3.55 -0.27 0.00 0.45 0.00 0.00 54.58 51.09 1be2 n ASN 60 Cb 0.42 1.89 -0.04 0.00 1.23 0.00 0.00 39.78 43.28 1be2 n ASN 60 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1be2 n LEU 61 N 0.77 0.07 -4.10 1.20 -0.00 -1.26 -4.67 117.00 109.00 1be2 n LEU 61 Ca 0.07 0.53 -0.37 0.00 -0.00 0.00 0.00 56.01 56.24 1be2 n LEU 61 Cb 0.68 -0.42 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 1be2 n LEU 61 CO 0.04 -0.81 0.05 0.21 -0.00 0.00 0.00 177.39 176.88 1be2 s ASN 62 N 0.18 5.27 0.00 1.96 2.47 0.19 -4.95 114.94 120.05 1be2 s ASN 62 Ca 0.42 -2.87 -0.00 0.00 0.42 0.00 0.00 52.86 50.83 1be2 s ASN 62 Cb -0.59 -1.86 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1be2 s ASN 62 CO 0.27 -0.37 0.01 0.00 -3.72 0.00 0.00 177.10 173.30 1be2 n LEU 63 N 3.47 -0.00 -0.32 3.21 -0.00 -1.26 -0.17 117.00 121.93 1be2 n LEU 63 Ca 0.08 0.02 0.13 0.00 -0.00 0.00 0.00 56.01 56.24 1be2 n LEU 63 Cb 0.38 -0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.06 1be2 n LEU 63 CO 0.34 -0.01 0.72 -3.20 -0.00 0.00 0.00 177.39 175.24 1be2 n ASN 64 N -4.01 -0.11 0.32 1.45 5.15 -1.26 -0.02 115.26 116.77 1be2 n ASN 64 Ca 0.00 1.55 -0.14 0.00 -0.60 0.00 0.00 54.58 55.39 1be2 n ASN 64 Cb 0.00 -0.56 -0.07 0.00 -0.53 0.00 0.00 39.78 38.62 1be2 n ASN 64 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1be2 h ASN 65 N 0.00 -0.71 -1.10 1.20 4.21 -0.89 0.41 115.58 118.70 1be2 h ASN 65 Ca 0.55 -0.01 0.33 0.00 1.21 0.00 0.00 56.30 58.38 1be2 h ASN 65 Cb 1.13 0.18 -0.13 0.00 -1.12 0.00 0.00 38.32 38.39 1be2 h ASN 65 CO -0.86 -0.33 0.68 0.00 -1.29 0.00 0.00 177.43 175.62 1be2 h ALA 66 N -1.03 2.24 0.08 -0.83 0.00 -0.51 0.25 119.26 119.45 1be2 h ALA 66 Ca -0.09 0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1be2 h ALA 66 Cb 0.68 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1be2 h ALA 66 CO 0.14 -0.79 -1.77 0.00 0.00 0.00 0.00 179.25 176.83 1be2 h ALA 67 N 1.71 0.51 -0.95 0.00 0.00 -0.73 -3.32 119.26 116.47 1be2 h ALA 67 Ca 0.71 -1.34 0.09 0.00 0.00 0.00 0.00 54.91 54.37 1be2 h ALA 67 Cb 1.85 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 20.09 1be2 h ALA 67 CO -0.46 1.36 0.61 1.03 0.00 0.00 0.00 179.25 181.79 1be2 h SER 68 N 0.05 0.90 0.00 0.00 0.87 0.24 -0.85 113.55 114.75 1be2 h SER 68 Ca -0.33 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1be2 h SER 68 Cb 2.02 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 1be2 h SER 68 CO 0.11 0.53 0.00 -0.38 -0.53 0.00 0.00 176.83 176.56 1be2 n ILE 69 N -4.54 0.00 -0.34 2.23 2.08 0.61 -1.17 119.36 118.23 1be2 n ILE 69 Ca 0.16 1.32 0.16 0.00 0.56 0.00 0.00 62.75 64.95 1be2 n ILE 69 Cb 0.28 -2.12 0.37 0.00 -0.75 0.00 0.00 39.64 37.42 1be2 n ILE 69 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1be2 h PRO 70 N 0.00 0.63 -0.55 0.38 0.13 -1.66 0.28 132.00 131.22 1be2 h PRO 70 Ca 0.00 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 65.20 1be2 h PRO 70 Cb 0.00 -0.14 -0.09 0.00 0.13 0.00 0.00 31.00 30.90 1be2 h PRO 70 CO 0.00 0.42 0.02 1.03 -0.23 0.00 0.00 178.00 179.24 1be2 h SER 71 N 0.65 -0.20 0.19 1.44 0.87 -0.66 -2.09 113.55 113.75 1be2 h SER 71 Ca 0.61 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.29 1be2 h SER 71 Cb 1.09 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1be2 h SER 71 CO -0.41 -0.07 -1.15 0.29 -0.53 0.00 0.00 176.83 174.95 1be2 n LYS 72 N -5.23 0.22 -0.87 2.24 4.01 -0.32 -4.26 118.16 113.95 1be2 n LYS 72 Ca 0.07 -0.04 -0.02 0.00 -0.51 0.00 0.00 58.31 57.81 1be2 n LYS 72 Cb 0.30 -1.54 0.29 0.00 -0.51 0.00 0.00 35.03 33.58 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1be2 n ASN 74 N 0.08 0.13 -0.69 0.00 4.13 -0.82 -4.80 115.26 113.28 1be2 n ASN 74 Ca 0.33 -0.61 0.07 0.00 1.68 0.00 0.00 54.58 56.04 1be2 n ASN 74 Cb 1.22 -0.77 0.13 0.00 -1.54 0.00 0.00 39.78 38.82 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1be2 n VAL 75 N -2.61 0.52 -1.31 2.41 0.31 -1.12 -5.05 118.33 111.49 1be2 n VAL 75 Ca -0.11 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.46 1be2 n VAL 75 Cb 0.31 0.88 0.00 0.00 -0.91 0.00 0.00 33.84 34.12 1be2 n VAL 75 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1be2 n ASN 76 N 0.78 0.00 -4.03 4.52 2.04 -1.26 -4.93 115.26 112.38 1be2 n ASN 76 Ca 0.12 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.15 1be2 n ASN 76 Cb 0.41 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.55 1be2 n ASN 76 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1be2 s VAL 77 N -1.01 0.31 0.22 3.53 0.11 -1.26 -5.04 120.40 117.25 1be2 s VAL 77 Ca 0.00 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.86 1be2 s VAL 77 Cb 0.00 -0.58 0.17 0.00 -1.53 0.00 0.00 36.38 34.44 1be2 s VAL 77 CO 0.00 -0.52 1.84 1.55 -3.33 0.00 0.00 175.10 174.64 1be2 h PRO 78 N 4.37 0.86 -6.69 1.54 0.13 -1.92 -3.41 132.00 126.88 1be2 h PRO 78 Ca -0.34 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.18 1be2 h PRO 78 Cb 1.20 -0.19 -0.07 0.00 0.13 0.00 0.00 31.00 32.07 1be2 h PRO 78 CO 0.44 0.57 0.94 1.52 -0.23 0.00 0.00 178.00 181.24 1be2 s TYR 79 N -6.10 2.77 -0.04 1.56 -0.85 -1.26 -4.98 117.35 108.45 1be2 s TYR 79 Ca -0.13 0.67 0.01 0.00 -0.52 0.00 0.00 57.07 57.10 1be2 s TYR 79 Cb 0.17 -4.45 0.02 0.00 0.38 0.00 0.00 41.96 38.08 1be2 s TYR 79 CO 0.78 -1.35 -0.03 0.95 -1.52 0.00 0.00 175.55 174.38 1be2 s THR 80 N 4.57 0.42 0.00 -3.49 -4.23 -1.26 -5.01 115.64 106.65 1be2 s THR 80 Ca 0.48 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1be2 s THR 80 Cb -0.07 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1be2 s THR 80 CO 0.31 0.20 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 1be2 n ILE 81 N 4.09 0.00 -4.93 2.99 0.13 -1.26 -4.86 119.36 115.52 1be2 n ILE 81 Ca -0.25 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.12 1be2 n ILE 81 Cb 0.51 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.14 1be2 n ILE 81 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1be2 s SER 82 N 0.00 2.44 0.00 9.51 0.01 -1.26 -4.81 113.70 119.59 1be2 s SER 82 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1be2 s SER 82 Cb 0.00 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1be2 s SER 82 CO 0.00 0.14 0.00 -2.65 0.41 0.00 0.00 173.24 171.14 1be2 n PRO 83 N 3.40 0.00 -3.52 12.44 -0.02 -1.26 -3.35 135.00 142.68 1be2 n PRO 83 Ca -0.20 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.01 1be2 n PRO 83 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.90 1be2 n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1be2 n ASP 84 N -0.85 0.77 -4.80 2.55 -0.08 -1.26 -4.58 116.55 108.30 1be2 n ASP 84 Ca 0.00 -2.69 -0.37 0.00 -1.51 0.00 0.00 54.79 50.22 1be2 n ASP 84 Cb 0.00 -0.62 -0.06 0.00 2.34 0.00 0.00 41.12 42.78 1be2 n ASP 84 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1be2 s ILE 85 N -0.60 4.47 -0.12 5.18 1.01 -1.21 -4.93 121.20 124.99 1be2 s ILE 85 Ca 0.31 1.49 -0.03 0.00 0.00 0.00 0.00 60.65 62.42 1be2 s ILE 85 Cb 0.03 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1be2 s ILE 85 CO -0.18 0.32 2.82 -0.67 0.00 0.00 0.00 174.94 177.24 1be2 n ASP 86 N 1.05 5.64 -0.05 3.58 2.03 -1.26 -4.76 116.55 122.77 1be2 n ASP 86 Ca -0.03 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1be2 n ASP 86 Cb 0.50 -1.26 0.01 0.00 -0.72 0.00 0.00 41.12 39.65 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1be2 n SER 88 N -4.21 -0.75 -0.11 0.00 7.64 -1.26 -3.41 113.62 111.52 1be2 n SER 88 Ca 0.02 1.55 -0.15 0.00 1.01 0.00 0.00 58.87 61.30 1be2 n SER 88 Cb 0.06 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 1be2 n SER 88 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1be2 n ARG 89 N -5.20 0.63 -0.81 1.43 1.85 -0.61 -4.89 116.66 109.06 1be2 n ARG 89 Ca 0.05 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1be2 n ARG 89 Cb 0.29 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 1be2 n ARG 89 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1be2 n ILE 90 N -3.09 -1.62 0.54 8.89 2.08 -0.71 -5.08 119.36 120.37 1be2 n ILE 90 Ca -0.38 0.00 0.06 0.00 0.56 0.00 0.00 62.75 62.99 1be2 n ILE 90 Cb 0.94 -2.06 0.05 0.00 -0.75 0.00 0.00 39.64 37.82 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11