#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be2 n ASN 2 N 0.00 0.00 -0.38 1.45 6.94 -1.26 -4.80 115.26 117.21 1be2 n ASN 2 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 1be2 n ASN 2 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1be2 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1be2 h GLY 4 N 0.00 0.28 1.05 0.00 0.00 -1.99 -1.33 103.07 101.08 1be2 h GLY 4 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1be2 h GLY 4 CO -0.85 0.17 0.52 -1.61 0.00 0.00 0.00 176.54 174.77 1be2 h GLN 5 N 0.06 1.25 0.16 4.80 4.15 -1.79 0.27 115.11 124.02 1be2 h GLN 5 Ca 0.05 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1be2 h GLN 5 Cb 0.28 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1be2 h GLN 5 CO 0.00 0.90 -0.32 0.28 -1.93 0.00 0.00 178.83 177.76 1be2 h VAL 6 N 1.26 0.00 -0.54 2.39 2.07 -0.35 0.45 116.25 121.54 1be2 h VAL 6 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1be2 h VAL 6 Cb -0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1be2 h VAL 6 CO -0.06 0.00 0.35 -0.78 0.02 0.00 0.00 177.57 177.10 1be2 h ASP 7 N -0.52 0.62 -0.83 0.57 1.82 -1.03 0.49 116.42 117.54 1be2 h ASP 7 Ca -0.02 -0.03 0.14 0.00 -0.39 0.00 0.00 57.03 56.73 1be2 h ASP 7 Cb 0.49 -0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.29 1be2 h ASP 7 CO -0.13 0.47 0.54 0.28 -1.61 0.00 0.00 179.24 178.79 1be2 h SER 8 N 0.73 0.56 0.00 2.28 0.02 -0.06 0.38 113.55 117.45 1be2 h SER 8 Ca 0.20 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1be2 h SER 8 Cb -0.06 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1be2 h SER 8 CO -0.04 0.29 -0.02 0.50 -1.14 0.00 0.00 176.83 176.42 1be2 h LYS 9 N 0.59 0.00 -0.62 3.45 1.63 0.63 -3.40 116.57 118.86 1be2 h LYS 9 Ca 0.41 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.33 1be2 h LYS 9 Cb 0.73 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.27 1be2 h LYS 9 CO -0.17 0.00 0.13 0.52 -3.45 0.00 0.00 179.45 176.48 1be2 h MET 10 N -0.19 0.24 -0.10 1.90 2.86 -0.01 -3.35 114.93 116.29 1be2 h MET 10 Ca 0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1be2 h MET 10 Cb 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1be2 h MET 10 CO 0.00 0.16 -0.06 1.17 1.06 0.00 0.00 176.91 179.24 1be2 n LYS 11 N -5.14 -0.05 -0.14 1.72 3.00 0.13 0.00 118.16 117.69 1be2 n LYS 11 Ca 0.09 0.30 -0.03 0.00 -0.00 0.00 0.00 58.31 58.67 1be2 n LYS 11 Cb 0.34 -0.45 0.05 0.00 0.00 0.00 0.00 35.03 34.97 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 0.11 -0.87 1.64 0.13 -1.84 0.20 132.00 131.38 1be2 h PRO 12 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1be2 h PRO 12 Cb 0.04 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 1be2 h PRO 12 CO -0.10 0.08 0.56 0.00 -0.23 0.00 0.00 178.00 178.31 1be2 h LEU 14 N 1.18 0.29 -0.45 0.00 3.38 0.27 1.20 115.31 121.18 1be2 h LEU 14 Ca 0.32 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.48 1be2 h LEU 14 Cb -0.11 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1be2 h LEU 14 CO -0.07 0.12 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 1be2 h THR 15 N 0.45 0.63 0.17 0.22 1.03 0.45 -1.64 112.91 114.22 1be2 h THR 15 Ca 0.41 -0.03 0.01 0.00 -0.01 0.00 0.00 66.41 66.79 1be2 h THR 15 Cb 0.60 0.54 -0.04 0.00 -1.07 0.00 0.00 68.15 68.18 1be2 h THR 15 CO -0.39 0.01 -0.49 0.22 -0.01 0.00 0.00 175.52 174.86 1be2 h TYR 16 N 0.08 -1.42 -0.85 0.00 3.20 0.20 0.29 116.97 118.48 1be2 h TYR 16 Ca 0.22 0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.36 1be2 h TYR 16 Cb 0.33 0.60 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1be2 h TYR 16 CO -0.32 -0.57 0.60 -0.39 -1.64 0.00 0.00 178.16 175.85 1be2 h VAL 17 N -0.74 0.59 0.18 1.81 -1.51 -0.22 0.19 116.25 116.55 1be2 h VAL 17 Ca -0.01 -0.02 -0.29 0.00 -1.23 0.00 0.00 66.70 65.15 1be2 h VAL 17 Cb 0.72 0.54 0.02 0.00 -2.13 0.00 0.00 31.29 30.44 1be2 h VAL 17 CO -0.24 0.01 -1.38 1.56 -1.23 0.00 0.00 177.57 176.29 1be2 h GLN 18 N 0.05 0.38 0.00 5.19 4.20 -0.43 0.17 115.11 124.67 1be2 h GLN 18 Ca 0.41 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1be2 h GLN 18 Cb 1.55 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.58 1be2 h GLN 18 CO -0.03 1.31 0.00 0.41 -0.67 0.00 0.00 178.83 179.86 1be2 n GLY 19 N 1.75 -1.79 3.84 3.46 0.00 0.88 -4.73 105.19 108.60 1be2 n GLY 19 Ca -0.20 0.64 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 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 2.07 -1.06 -0.02 0.00 -0.31 -4.77 107.32 103.22 1be2 s GLY 20 Ca 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 44.72 42.80 1be2 s GLY 20 CO 0.00 -1.70 2.74 -1.55 0.00 0.00 0.00 173.10 172.59 1be2 n PRO 21 N -1.43 3.65 -4.54 2.90 -0.04 -1.26 -4.70 135.00 129.58 1be2 n PRO 21 Ca 0.01 -2.66 -0.25 0.00 -0.04 0.00 0.00 63.50 60.56 1be2 n PRO 21 Cb 0.62 -2.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 1be2 n PRO 21 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1be2 s GLY 22 N 0.97 2.22 0.52 0.55 0.00 -1.26 -4.59 107.32 105.73 1be2 s GLY 22 Ca 0.60 -2.13 -0.04 0.00 0.00 0.00 0.00 44.72 43.15 1be2 s GLY 22 CO -0.10 -1.99 0.80 2.56 0.00 0.00 0.00 173.10 174.36 1be2 s PRO 23 N -3.70 3.16 0.00 2.90 0.05 -1.26 -5.03 135.00 131.11 1be2 s PRO 23 Ca 0.33 -0.07 0.24 0.00 0.05 0.00 0.00 61.00 61.55 1be2 s PRO 23 Cb 0.06 -2.38 0.43 0.00 0.05 0.00 0.00 34.50 32.65 1be2 s PRO 23 CO 0.16 -0.42 1.40 0.45 0.05 0.00 0.00 177.00 178.64 1be2 n SER 24 N -2.34 2.94 0.00 6.66 2.88 -1.26 -4.98 113.62 117.52 1be2 n SER 24 Ca 0.02 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1be2 n SER 24 Cb 0.57 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1be2 n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1be2 n GLY 25 N 1.38 2.97 0.12 0.46 0.00 -1.26 -4.93 105.19 103.94 1be2 n GLY 25 Ca 0.17 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 0.26 -0.61 1.61 -0.00 -2.00 -3.37 114.58 110.47 1be2 h GLU 26 Ca 0.00 -0.45 0.05 0.00 -0.00 0.00 0.00 59.36 58.97 1be2 h GLU 26 Cb 0.00 0.17 -0.07 0.00 -0.00 0.00 0.00 28.75 28.84 1be2 h GLU 26 CO 0.00 1.21 -0.36 0.00 -0.00 0.00 0.00 179.01 179.87 1be2 h ASN 29 N 0.00 0.43 -0.40 0.00 2.35 -0.22 -2.11 115.58 115.62 1be2 h ASN 29 Ca -0.00 -0.77 0.08 0.00 -0.55 0.00 0.00 56.30 55.06 1be2 h ASN 29 Cb 0.15 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 1be2 h ASN 29 CO 0.01 1.15 -0.13 1.23 -1.65 0.00 0.00 177.43 178.04 1be2 h GLY 30 N -0.24 0.24 0.08 2.83 0.00 0.06 0.18 103.07 106.21 1be2 h GLY 30 Ca -0.06 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1be2 h GLY 30 CO 0.10 -0.17 -0.41 -2.08 0.00 0.00 0.00 176.54 173.98 1be2 h VAL 31 N -0.04 0.16 -0.50 4.60 2.07 -1.07 -0.28 116.25 121.19 1be2 h VAL 31 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1be2 h VAL 31 Cb 0.34 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.17 1be2 h VAL 31 CO -0.44 0.00 -0.39 0.03 0.02 0.00 0.00 177.57 176.80 1be2 h ARG 32 N -0.51 -0.24 -0.68 1.57 3.08 -0.08 0.33 114.38 117.86 1be2 h ARG 32 Ca 0.07 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1be2 h ARG 32 Cb 0.63 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.61 1be2 h ARG 32 CO -0.36 -0.16 -0.35 -0.44 -1.07 0.00 0.00 179.97 177.59 1be2 h ASP 33 N -0.24 -1.22 -0.18 7.04 3.32 0.52 1.28 116.42 126.94 1be2 h ASP 33 Ca 0.18 0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.41 1be2 h ASP 33 Cb 0.56 0.61 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1be2 h ASP 33 CO -0.63 -0.30 -0.06 -0.07 -1.72 0.00 0.00 179.24 176.46 1be2 h LEU 34 N -0.13 0.48 -1.41 1.55 4.07 0.58 0.34 115.31 120.80 1be2 h LEU 34 Ca 0.26 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1be2 h LEU 34 Cb 0.56 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1be2 h LEU 34 CO -0.74 0.60 0.00 -0.74 -1.08 0.00 0.00 178.44 176.47 1be2 h HIS 35 N 0.48 0.00 0.01 1.13 2.76 0.51 0.34 115.15 120.38 1be2 h HIS 35 Ca 0.10 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.89 1be2 h HIS 35 Cb 0.41 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.30 1be2 h HIS 35 CO 0.01 0.00 -2.38 0.09 -1.30 0.00 0.00 177.93 174.35 1be2 n ASN 36 N -2.84 1.37 0.09 3.26 3.02 0.20 -4.40 115.26 115.96 1be2 n ASN 36 Ca 0.01 -0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1be2 n ASN 36 Cb 0.26 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.01 0.31 -5.42 3.52 4.20 -0.24 -3.43 115.11 114.05 1be2 h GLN 37 Ca -0.55 -0.41 -0.63 0.00 0.06 0.00 0.00 58.65 57.13 1be2 h GLN 37 Cb 2.02 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 29.79 1be2 h GLN 37 CO -0.03 1.13 -0.56 0.00 -0.67 0.00 0.00 178.83 178.70 1be2 s ALA 38 N -2.97 3.47 -0.05 3.87 0.00 0.12 -5.02 121.76 121.17 1be2 s ALA 38 Ca -0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1be2 s ALA 38 Cb 0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1be2 s ALA 38 CO 0.87 0.29 -0.11 1.04 0.00 0.00 0.00 175.76 177.85 1be2 n GLN 39 N 3.13 0.18 -2.44 0.00 6.02 -1.26 -4.53 117.38 118.47 1be2 n GLN 39 Ca -0.17 0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 1be2 n GLN 39 Cb 0.53 -0.80 -0.01 0.00 1.02 0.00 0.00 30.24 30.98 1be2 n GLN 39 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1be2 n SER 40 N -3.52 2.07 -2.59 1.08 7.64 -1.26 -4.89 113.62 112.16 1be2 n SER 40 Ca -0.13 -1.47 -0.12 0.00 1.01 0.00 0.00 58.87 58.17 1be2 n SER 40 Cb 0.47 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1be2 n SER 40 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1be2 n SER 41 N -1.29 3.41 0.14 6.43 3.41 -1.26 -1.72 113.62 122.74 1be2 n SER 41 Ca -0.04 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1be2 n SER 41 Cb 0.14 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1be2 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1be2 n GLY 42 N 3.13 -0.82 0.06 5.00 0.00 -1.26 -4.72 105.19 106.58 1be2 n GLY 42 Ca 0.29 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 1be2 n GLY 42 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1be2 h ASP 43 N 0.00 0.00 0.25 1.61 3.04 -1.91 -2.81 116.42 116.61 1be2 h ASP 43 Ca 0.00 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 1be2 h ASP 43 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1be2 h ASP 43 CO 0.00 0.68 -0.27 -0.09 -2.04 0.00 0.00 179.24 177.52 1be2 h ARG 44 N -1.00 -0.55 -0.50 4.15 9.65 -1.66 -2.31 114.38 122.16 1be2 h ARG 44 Ca -0.01 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 1be2 h ARG 44 Cb 0.35 0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 28.95 1be2 h ARG 44 CO -0.00 -0.36 -0.41 1.96 2.80 0.00 0.00 179.97 183.95 1be2 h GLN 45 N -0.57 -0.25 -0.33 0.20 1.08 -1.70 0.40 115.11 113.95 1be2 h GLN 45 Ca -0.00 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1be2 h GLN 45 Cb 0.53 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 1be2 h GLN 45 CO -0.07 -0.17 -0.26 1.15 -0.95 0.00 0.00 178.83 178.54 1be2 h THR 46 N -0.26 0.00 -0.02 -0.54 2.02 -1.17 0.10 112.91 113.04 1be2 h THR 46 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1be2 h THR 46 Cb 0.57 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1be2 h THR 46 CO -0.63 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 175.45 1be2 h VAL 47 N -0.08 0.21 -0.94 3.16 2.07 -0.88 -2.06 116.25 117.73 1be2 h VAL 47 Ca 0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.74 1be2 h VAL 47 Cb 0.22 0.21 -0.17 0.00 -1.52 0.00 0.00 31.29 30.03 1be2 h VAL 47 CO -0.35 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 176.95 1be2 h ASN 49 N 0.00 0.12 -0.41 0.00 2.35 -0.49 0.31 115.58 117.46 1be2 h ASN 49 Ca 0.40 -0.36 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1be2 h ASN 49 Cb 0.64 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 1be2 h ASN 49 CO -0.96 0.45 0.13 0.00 -1.65 0.00 0.00 177.43 175.40 1be2 h LEU 51 N 0.28 0.06 -0.15 0.00 6.46 -0.39 -1.43 115.31 120.14 1be2 h LEU 51 Ca 0.20 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1be2 h LEU 51 Cb 0.20 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.05 1be2 h LEU 51 CO -0.22 0.18 -0.44 0.50 -0.62 0.00 0.00 178.44 177.85 1be2 h LYS 52 N -0.07 -0.48 -0.71 1.25 1.63 0.10 0.21 116.57 118.51 1be2 h LYS 52 Ca 0.02 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.96 1be2 h LYS 52 Cb 0.14 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.75 1be2 h LYS 52 CO -0.00 -0.32 -0.37 0.78 -3.45 0.00 0.00 179.45 176.09 1be2 h GLY 53 N -0.50 -0.11 0.86 5.01 0.00 -0.29 0.46 103.07 108.51 1be2 h GLY 53 Ca 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1be2 h GLY 53 CO -0.41 -0.20 0.05 0.16 0.00 0.00 0.00 176.54 176.14 1be2 h ILE 54 N -0.12 1.18 -1.06 2.60 3.07 0.06 0.45 117.51 123.69 1be2 h ILE 54 Ca 0.26 -0.57 0.29 0.00 1.55 0.00 0.00 64.86 66.39 1be2 h ILE 54 Cb 0.56 1.24 -0.06 0.00 -0.27 0.00 0.00 36.82 38.29 1be2 h ILE 54 CO -0.77 0.18 0.73 0.00 -1.05 0.00 0.00 178.15 177.24 1be2 h ALA 55 N 0.87 2.69 0.06 0.16 0.00 0.11 0.88 119.26 124.04 1be2 h ALA 55 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1be2 h ALA 55 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1be2 h ALA 55 CO -0.00 -1.04 -1.35 0.00 0.00 0.00 0.00 179.25 176.86 1be2 h ARG 56 N 0.17 0.13 -1.86 0.00 3.08 -0.46 -3.34 114.38 112.10 1be2 h ARG 56 Ca 0.54 -0.23 -0.28 0.00 0.07 0.00 0.00 59.98 60.08 1be2 h ARG 56 Cb 1.82 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.85 1be2 h ARG 56 CO -0.12 0.99 0.14 0.41 -1.07 0.00 0.00 179.97 180.31 1be2 n GLY 57 N 1.53 3.62 0.00 0.04 0.00 0.31 -4.77 105.19 105.91 1be2 n GLY 57 Ca -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1be2 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1be2 n ILE 58 N 1.24 0.00 0.00 -0.61 5.41 -1.17 -4.93 119.36 119.29 1be2 n ILE 58 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.08 1be2 n ILE 58 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 1be2 n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1be2 n HIS 59 N 0.00 0.00 -3.35 1.39 -0.00 -1.26 -4.91 115.22 107.09 1be2 n HIS 59 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1be2 n HIS 59 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1be2 n HIS 59 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1be2 n ASN 60 N -0.32 3.16 -2.72 0.26 4.05 -1.26 -5.08 115.26 113.34 1be2 n ASN 60 Ca 0.00 -3.33 -0.34 0.00 0.45 0.00 0.00 54.58 51.37 1be2 n ASN 60 Cb 0.00 -0.66 -0.04 0.00 1.23 0.00 0.00 39.78 40.31 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 0.87 -0.27 -4.19 1.20 -0.00 -1.26 -4.86 117.00 108.49 1be2 n LEU 61 Ca 0.28 0.70 -0.40 0.00 -0.00 0.00 0.00 56.01 56.59 1be2 n LEU 61 Cb 0.43 -0.57 -0.07 0.00 -0.00 0.00 0.00 43.42 43.21 1be2 n LEU 61 CO 0.36 -1.40 0.13 0.21 -0.00 0.00 0.00 177.39 176.70 1be2 s ASN 62 N -0.22 5.78 0.00 1.96 2.47 0.60 -4.98 114.94 120.55 1be2 s ASN 62 Ca 0.50 -2.58 0.00 0.00 0.42 0.00 0.00 52.86 51.19 1be2 s ASN 62 Cb -0.70 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1be2 s ASN 62 CO 0.35 -0.50 0.00 0.00 -3.72 0.00 0.00 177.10 173.22 1be2 n LEU 63 N 3.96 0.00 -0.34 3.21 -0.00 -1.26 -0.65 117.00 121.92 1be2 n LEU 63 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.03 1be2 n LEU 63 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.85 1be2 n LEU 63 CO 0.36 0.00 0.58 -1.13 -0.00 0.00 0.00 177.39 177.20 1be2 h ASN 64 N 0.00 -1.45 -0.08 1.45 -0.73 -1.94 0.19 115.58 113.02 1be2 h ASN 64 Ca 0.00 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1be2 h ASN 64 Cb 0.00 0.73 -0.00 0.00 0.27 0.00 0.00 38.32 39.32 1be2 h ASN 64 CO 0.00 -0.29 0.05 0.78 -0.37 0.00 0.00 177.43 177.60 1be2 h ASN 65 N -0.05 0.09 -0.79 1.15 2.35 -1.20 0.24 115.58 117.37 1be2 h ASN 65 Ca 0.29 -0.03 0.13 0.00 -0.55 0.00 0.00 56.30 56.15 1be2 h ASN 65 Cb 0.57 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.83 1be2 h ASN 65 CO -0.90 0.09 0.38 0.00 -1.65 0.00 0.00 177.43 175.35 1be2 h ALA 66 N 1.01 1.15 0.04 -0.83 0.00 -0.94 -0.25 119.26 119.44 1be2 h ALA 66 Ca 0.03 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1be2 h ALA 66 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1be2 h ALA 66 CO -0.01 -0.12 -1.06 0.00 0.00 0.00 0.00 179.25 178.07 1be2 h ALA 67 N 1.53 0.29 -0.51 0.00 0.00 -0.40 -3.25 119.26 116.93 1be2 h ALA 67 Ca 0.43 -0.88 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1be2 h ALA 67 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1be2 h ALA 67 CO -0.36 1.12 0.30 1.03 0.00 0.00 0.00 179.25 181.34 1be2 h SER 68 N 0.03 0.47 0.19 0.00 0.87 0.47 -1.64 113.55 113.94 1be2 h SER 68 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1be2 h SER 68 Cb 1.80 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.64 1be2 h SER 68 CO 0.15 0.33 -0.38 0.40 -0.53 0.00 0.00 176.83 176.81 1be2 h ILE 69 N 0.59 0.00 -1.24 2.23 1.08 -1.11 0.27 117.51 119.32 1be2 h ILE 69 Ca 0.21 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 65.03 1be2 h ILE 69 Cb 0.04 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.71 1be2 h ILE 69 CO -0.10 0.00 0.85 1.55 -0.69 0.00 0.00 178.15 179.76 1be2 h PRO 70 N -0.62 0.13 0.44 2.37 0.13 -1.70 -2.08 132.00 130.67 1be2 h PRO 70 Ca -0.02 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1be2 h PRO 70 Cb 0.58 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1be2 h PRO 70 CO -0.15 0.08 -0.21 1.03 -0.23 0.00 0.00 178.00 178.52 1be2 h SER 71 N 0.13 -0.50 -0.78 1.44 0.87 -0.11 0.27 113.55 114.86 1be2 h SER 71 Ca 0.65 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 61.35 1be2 h SER 71 Cb 2.24 0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 64.18 1be2 h SER 71 CO -0.16 -0.08 -0.21 0.11 -0.53 0.00 0.00 176.83 175.97 1be2 h LYS 72 N -1.13 -0.01 -0.22 2.24 6.56 0.06 0.17 116.57 124.24 1be2 h LYS 72 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1be2 h LYS 72 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1be2 h LYS 72 CO 0.10 -0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.49 1be2 n ASN 74 N 1.17 -5.65 -0.85 0.00 5.15 0.62 -4.90 115.26 110.81 1be2 n ASN 74 Ca 0.17 -0.88 0.06 0.00 -0.60 0.00 0.00 54.58 53.33 1be2 n ASN 74 Cb 0.54 -4.16 0.19 0.00 -0.53 0.00 0.00 39.78 35.83 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1be2 n VAL 75 N -3.81 0.70 -3.46 3.44 0.31 0.55 -4.96 118.33 111.11 1be2 n VAL 75 Ca -0.09 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1be2 n VAL 75 Cb 0.61 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 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 0.70 0.00 -3.97 4.52 2.04 -1.26 -4.92 115.26 112.37 1be2 n ASN 76 Ca 0.14 0.00 -0.17 0.00 -0.44 0.00 0.00 54.58 54.12 1be2 n ASN 76 Cb 0.42 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.52 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 -4.50 0.48 0.59 3.53 0.11 -1.26 -5.04 120.40 114.30 1be2 s VAL 77 Ca 0.00 -0.25 0.29 0.00 -2.93 0.00 0.00 61.98 59.09 1be2 s VAL 77 Cb 0.00 -0.41 0.37 0.00 -1.53 0.00 0.00 36.38 34.81 1be2 s VAL 77 CO 0.00 0.14 2.04 1.55 -3.33 0.00 0.00 175.10 175.50 1be2 h PRO 78 N 6.06 0.00 -5.45 1.54 0.13 -1.91 -3.42 132.00 128.95 1be2 h PRO 78 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 1be2 h PRO 78 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1be2 h PRO 78 CO 0.50 0.00 -0.37 1.52 -0.23 0.00 0.00 178.00 179.42 1be2 s TYR 79 N -4.63 3.46 0.02 1.56 -0.85 -1.26 -4.71 117.35 110.94 1be2 s TYR 79 Ca -0.05 0.53 -0.05 0.00 -0.52 0.00 0.00 57.07 56.99 1be2 s TYR 79 Cb 0.15 -2.28 -0.01 0.00 0.38 0.00 0.00 41.96 40.20 1be2 s TYR 79 CO 0.55 0.27 0.08 0.95 -1.52 0.00 0.00 175.55 175.87 1be2 s THR 80 N 0.37 0.11 0.00 -3.49 -4.23 -1.26 -4.99 115.64 102.15 1be2 s THR 80 Ca 0.14 -0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1be2 s THR 80 Cb -0.12 -0.55 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1be2 s THR 80 CO 0.03 -0.49 0.26 0.00 -0.54 0.00 0.00 174.62 173.87 1be2 n ILE 81 N 1.26 0.00 -4.34 2.99 0.13 -1.26 -4.80 119.36 113.34 1be2 n ILE 81 Ca -0.22 -0.25 -0.17 0.00 -1.10 0.00 0.00 62.75 61.00 1be2 n ILE 81 Cb 0.56 -0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.26 1be2 n ILE 81 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1be2 s SER 82 N 2.02 1.93 0.20 9.51 0.15 -1.26 -4.82 113.70 121.43 1be2 s SER 82 Ca 0.00 -1.21 -0.10 0.00 0.70 0.00 0.00 55.95 55.34 1be2 s SER 82 Cb 0.00 -0.01 0.23 0.00 -1.71 0.00 0.00 66.02 64.53 1be2 s SER 82 CO 0.00 -0.48 1.77 1.55 1.20 0.00 0.00 173.24 177.27 1be2 h PRO 83 N 2.46 0.47 -2.75 5.44 0.13 -1.85 -3.38 132.00 132.52 1be2 h PRO 83 Ca -0.38 -0.03 -0.71 0.00 -0.87 0.00 0.00 66.00 64.01 1be2 h PRO 83 Cb 1.22 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1be2 h PRO 83 CO 0.65 0.31 2.92 -3.47 -0.23 0.00 0.00 178.00 178.18 1be2 n ASP 84 N -4.93 8.30 -4.91 1.44 2.03 -1.26 -4.95 116.55 112.28 1be2 n ASP 84 Ca 0.07 -2.93 -0.32 0.00 0.52 0.00 0.00 54.79 52.14 1be2 n ASP 84 Cb 0.21 -1.43 -0.04 0.00 -0.72 0.00 0.00 41.12 39.14 1be2 n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1be2 s ILE 85 N 0.06 5.33 -0.32 5.18 1.01 -1.26 -4.96 121.20 126.24 1be2 s ILE 85 Ca 0.60 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.06 1be2 s ILE 85 Cb 0.19 -3.61 0.46 0.00 0.01 0.00 0.00 42.46 39.50 1be2 s ILE 85 CO -0.08 0.15 1.57 -0.67 0.00 0.00 0.00 174.94 175.91 1be2 n ASP 86 N 0.37 3.58 -0.06 3.58 2.03 -1.26 -4.79 116.55 120.01 1be2 n ASP 86 Ca -0.05 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 52.27 1be2 n ASP 86 Cb 0.51 -0.71 0.05 0.00 -0.72 0.00 0.00 41.12 40.25 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1be2 h SER 88 N 0.00 0.34 0.00 0.00 0.02 -1.97 -3.38 113.55 108.56 1be2 h SER 88 Ca 0.11 0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 1be2 h SER 88 Cb 0.22 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1be2 h SER 88 CO -0.17 0.22 -1.56 -2.11 -1.14 0.00 0.00 176.83 172.07 1be2 n ARG 89 N -4.91 0.23 -2.70 3.45 1.85 -0.22 -4.77 116.66 109.60 1be2 n ARG 89 Ca 0.06 0.07 -0.05 0.00 -1.00 0.00 0.00 57.85 56.93 1be2 n ARG 89 Cb 0.18 -1.07 0.01 0.00 -1.05 0.00 0.00 32.46 30.53 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 -3.04 -9.60 0.39 8.89 5.41 -0.64 -4.85 119.36 115.91 1be2 n ILE 90 Ca -0.18 0.55 0.05 0.00 1.00 0.00 0.00 62.75 64.16 1be2 n ILE 90 Cb 0.67 -6.75 0.04 0.00 -0.71 0.00 0.00 39.64 32.89 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55