#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 0.00 1.96 5.15 -1.26 -2.78 115.26 118.32 1be2 n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1be2 n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1be2 n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1be2 h GLY 4 N 0.00 1.29 0.18 0.00 0.00 -1.99 0.87 103.07 103.42 1be2 h GLY 4 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.02 1be2 h GLY 4 CO 0.00 0.21 -0.29 -1.61 0.00 0.00 0.00 176.54 174.84 1be2 h GLN 5 N 0.89 -0.35 0.00 4.80 -0.00 -0.51 0.47 115.11 120.42 1be2 h GLN 5 Ca 0.38 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 1be2 h GLN 5 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.81 1be2 h GLN 5 CO -0.20 -0.23 0.00 0.28 0.00 0.00 0.00 178.83 178.68 1be2 n VAL 6 N -5.40 0.00 0.02 2.39 0.31 -0.19 -0.08 118.33 115.39 1be2 n VAL 6 Ca -0.03 1.50 -0.10 0.00 -0.01 0.00 0.00 64.34 65.70 1be2 n VAL 6 Cb 0.31 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.02 1be2 n VAL 6 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1be2 h ASP 7 N 0.00 -0.40 -0.18 4.52 1.82 -0.70 0.40 116.42 121.88 1be2 h ASP 7 Ca 0.00 0.07 0.05 0.00 -0.39 0.00 0.00 57.03 56.76 1be2 h ASP 7 Cb 0.00 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1be2 h ASP 7 CO 0.00 -0.18 0.23 0.28 -1.61 0.00 0.00 179.24 177.96 1be2 h SER 8 N -0.19 0.00 0.00 2.28 0.02 0.12 0.31 113.55 116.09 1be2 h SER 8 Ca 0.07 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.67 1be2 h SER 8 Cb 0.29 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1be2 h SER 8 CO -0.19 0.00 -1.97 1.17 -1.14 0.00 0.00 176.83 174.71 1be2 n LYS 9 N -3.68 0.58 -0.08 3.45 0.00 0.88 -4.57 118.16 114.74 1be2 n LYS 9 Ca 0.02 0.39 -0.10 0.00 0.00 0.00 0.00 58.31 58.61 1be2 n LYS 9 Cb 0.35 -1.59 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 1be2 n LYS 9 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1be2 h MET 10 N -1.00 0.38 -0.29 1.64 2.86 0.02 -3.37 114.93 115.17 1be2 h MET 10 Ca -0.53 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1be2 h MET 10 Cb 1.45 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 33.01 1be2 h MET 10 CO -0.32 0.36 -0.17 1.17 1.06 0.00 0.00 176.91 179.00 1be2 n LYS 11 N -4.82 -0.13 -0.33 1.72 4.81 0.11 0.58 118.16 120.09 1be2 n LYS 11 Ca -0.02 0.53 0.15 0.00 -0.87 0.00 0.00 58.31 58.09 1be2 n LYS 11 Cb 0.09 -0.78 0.35 0.00 0.02 0.00 0.00 35.03 34.71 1be2 n LYS 11 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1be2 h PRO 12 N 0.00 0.56 0.00 1.64 0.13 -1.84 0.11 132.00 132.59 1be2 h PRO 12 Ca 0.05 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.93 1be2 h PRO 12 Cb 0.12 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.09 1be2 h PRO 12 CO -0.27 0.37 -1.11 0.00 -0.23 0.00 0.00 178.00 176.76 1be2 h LEU 14 N 0.00 0.71 0.63 0.00 3.38 0.20 1.52 115.31 121.76 1be2 h LEU 14 Ca -0.08 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1be2 h LEU 14 Cb 1.76 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.50 1be2 h LEU 14 CO 0.11 0.24 -0.30 0.00 0.09 0.00 0.00 178.44 178.57 1be2 h THR 15 N 0.71 0.18 -0.65 0.22 1.03 -1.01 -2.18 112.91 111.21 1be2 h THR 15 Ca 0.57 -0.32 0.07 0.00 -0.01 0.00 0.00 66.41 66.71 1be2 h THR 15 Cb 0.90 0.24 -0.08 0.00 -1.07 0.00 0.00 68.15 68.13 1be2 h THR 15 CO -0.40 0.02 -0.35 0.00 -0.01 0.00 0.00 175.52 174.79 1be2 n TYR 16 N -5.37 -0.20 0.00 0.00 9.36 0.48 -0.11 117.16 121.33 1be2 n TYR 16 Ca -0.12 0.80 0.02 0.00 3.32 0.00 0.00 57.90 61.92 1be2 n TYR 16 Cb 0.36 -0.60 0.35 0.00 -0.63 0.00 0.00 39.34 38.81 1be2 n TYR 16 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1be2 h VAL 17 N 0.00 1.16 0.11 2.97 -1.51 -0.44 -1.50 116.25 117.04 1be2 h VAL 17 Ca 0.14 -0.55 -0.26 0.00 -1.23 0.00 0.00 66.70 64.79 1be2 h VAL 17 Cb 0.30 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1be2 h VAL 17 CO -0.62 0.20 -1.19 0.06 -1.23 0.00 0.00 177.57 174.80 1be2 h GLN 18 N 0.51 0.28 0.00 5.19 3.07 0.07 0.40 115.11 124.63 1be2 h GLN 18 Ca 0.12 -0.44 0.00 0.00 0.09 0.00 0.00 58.65 58.42 1be2 h GLN 18 Cb 0.18 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1be2 h GLN 18 CO -0.01 1.19 0.00 0.41 0.09 0.00 0.00 178.83 180.52 1be2 n GLY 19 N 1.43 -1.31 3.83 0.06 0.00 0.84 -4.68 105.19 105.36 1be2 n GLY 19 Ca -0.08 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 2.20 -0.67 -0.02 0.00 -0.62 -4.77 107.32 103.43 1be2 s GLY 20 Ca 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 1be2 s GLY 20 CO 0.00 -1.76 2.79 -1.55 0.00 0.00 0.00 173.10 172.57 1be2 n PRO 21 N -1.45 2.97 -3.39 2.90 -0.04 -1.26 -4.65 135.00 130.08 1be2 n PRO 21 Ca 0.02 -2.46 -0.20 0.00 -0.04 0.00 0.00 63.50 60.82 1be2 n PRO 21 Cb 0.63 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.40 3.08 3.22 0.55 0.00 -1.26 -4.60 105.19 107.57 1be2 n GLY 22 Ca 0.53 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.55 3.62 0.00 1.61 0.04 -1.26 -5.06 135.00 130.40 1be2 s PRO 23 Ca 0.16 -3.13 0.00 0.00 0.04 0.00 0.00 61.00 58.07 1be2 s PRO 23 Cb -0.01 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1be2 s PRO 23 CO 0.10 -1.25 0.00 0.43 0.04 0.00 0.00 177.00 176.32 1be2 n SER 24 N 2.70 0.00 0.00 6.66 7.64 -1.26 -4.61 113.62 124.74 1be2 n SER 24 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1be2 n SER 24 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.80 -0.31 0.26 0.23 0.00 -1.26 -5.03 105.19 98.29 1be2 n GLY 25 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 1be2 n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1be2 n GLU 26 N 0.00 -0.18 -0.25 1.61 -0.00 -1.26 -2.23 120.64 118.33 1be2 n GLU 26 Ca 0.00 1.04 0.03 0.00 -0.00 0.00 0.00 57.16 58.23 1be2 n GLU 26 Cb 0.00 -1.54 0.11 0.00 -0.00 0.00 0.00 31.44 30.01 1be2 n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1be2 h ASN 29 N 0.94 -0.38 -0.56 0.00 2.35 -0.79 0.12 115.58 117.26 1be2 h ASN 29 Ca 0.18 0.08 0.10 0.00 -0.55 0.00 0.00 56.30 56.11 1be2 h ASN 29 Cb 0.45 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.94 1be2 h ASN 29 CO 0.02 -0.16 0.12 1.23 -1.65 0.00 0.00 177.43 176.99 1be2 h GLY 30 N -0.14 0.70 0.38 2.83 0.00 -0.16 0.98 103.07 107.66 1be2 h GLY 30 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1be2 h GLY 30 CO -0.23 -0.09 -0.25 -2.08 0.00 0.00 0.00 176.54 173.90 1be2 h VAL 31 N 0.26 0.43 -0.30 4.60 2.07 0.15 -0.26 116.25 123.20 1be2 h VAL 31 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 1be2 h VAL 31 Cb 0.40 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1be2 h VAL 31 CO -0.36 0.00 -0.26 0.03 0.02 0.00 0.00 177.57 177.00 1be2 h ARG 32 N -0.35 -0.23 -0.53 1.57 3.08 1.00 0.28 114.38 119.19 1be2 h ARG 32 Ca 0.08 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 1be2 h ARG 32 Cb 0.46 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 1be2 h ARG 32 CO -0.25 -0.15 -0.44 0.22 -1.07 0.00 0.00 179.97 178.27 1be2 h ASP 33 N -0.24 -1.51 -0.60 7.04 1.82 0.08 0.75 116.42 123.75 1be2 h ASP 33 Ca 0.15 0.24 0.02 0.00 -0.39 0.00 0.00 57.03 57.05 1be2 h ASP 33 Cb 0.48 0.67 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 1be2 h ASP 33 CO -0.44 -0.35 0.39 -0.07 -1.61 0.00 0.00 179.24 177.17 1be2 h LEU 34 N -0.26 0.64 -2.00 2.28 4.07 0.12 0.49 115.31 120.65 1be2 h LEU 34 Ca 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1be2 h LEU 34 Cb 0.57 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1be2 h LEU 34 CO -0.66 0.45 -0.07 -0.74 -1.08 0.00 0.00 178.44 176.34 1be2 h HIS 35 N 0.75 0.00 0.00 1.13 2.76 0.39 0.27 115.15 120.45 1be2 h HIS 35 Ca 0.23 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.06 1be2 h HIS 35 Cb -0.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 1be2 h HIS 35 CO -0.00 0.07 -2.25 0.09 -1.30 0.00 0.00 177.93 174.55 1be2 n ASN 36 N -3.41 0.16 0.03 3.26 3.02 0.91 -4.41 115.26 114.83 1be2 n ASN 36 Ca -0.01 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1be2 n ASN 36 Cb 0.23 0.85 -0.13 0.00 -0.61 0.00 0.00 39.78 40.12 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 0.39 -6.59 3.52 4.20 0.24 -3.43 115.11 113.43 1be2 h GLN 37 Ca -0.48 -0.50 -0.51 0.00 0.06 0.00 0.00 58.65 57.21 1be2 h GLN 37 Cb 2.16 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 30.08 1be2 h GLN 37 CO 0.04 1.18 0.37 0.00 -0.67 0.00 0.00 178.83 179.75 1be2 s ALA 38 N -2.90 3.27 -0.15 3.87 0.00 0.93 -4.96 121.76 121.82 1be2 s ALA 38 Ca -0.13 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1be2 s ALA 38 Cb 0.03 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 1be2 s ALA 38 CO 0.84 -0.03 -0.20 1.04 0.00 0.00 0.00 175.76 177.41 1be2 n GLN 39 N 2.63 0.32 -4.43 0.00 6.02 -1.26 -4.81 117.38 115.84 1be2 n GLN 39 Ca 0.02 0.14 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 1be2 n GLN 39 Cb 0.49 -1.04 -0.08 0.00 1.02 0.00 0.00 30.24 30.62 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1be2 s SER 40 N -6.35 2.45 -0.35 1.08 0.01 -1.26 -4.95 113.70 104.33 1be2 s SER 40 Ca -0.21 -1.75 -0.03 0.00 1.31 0.00 0.00 55.95 55.26 1be2 s SER 40 Cb 0.08 0.59 -0.07 0.00 0.21 0.00 0.00 66.02 66.82 1be2 s SER 40 CO 0.27 -1.02 1.82 -1.20 0.41 0.00 0.00 173.24 173.51 1be2 n SER 41 N -1.51 2.96 0.00 2.44 7.64 -1.26 -1.14 113.62 122.75 1be2 n SER 41 Ca -0.01 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1be2 n SER 41 Cb 0.64 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 3.32 -0.18 0.13 0.23 0.00 -1.26 -4.73 105.19 102.70 1be2 n GLY 42 Ca 0.26 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.38 1.97 0.14 1.61 5.68 -0.39 -3.29 116.55 119.89 1be2 n ASP 43 Ca 0.00 0.25 -0.14 0.00 -0.50 0.00 0.00 54.79 54.40 1be2 n ASP 43 Cb 0.00 -0.80 -0.07 0.00 -1.14 0.00 0.00 41.12 39.11 1be2 n ASP 43 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1be2 h ARG 44 N -0.57 -0.59 0.00 0.11 3.08 -1.48 0.46 114.38 115.40 1be2 h ARG 44 Ca -0.51 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1be2 h ARG 44 Cb 1.67 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1be2 h ARG 44 CO -0.18 -0.39 0.00 1.04 -1.07 0.00 0.00 179.97 179.37 1be2 n GLN 45 N -5.44 0.06 -0.06 0.04 1.13 -1.26 0.12 117.38 111.96 1be2 n GLN 45 Ca -0.07 0.51 -0.03 0.00 -1.94 0.00 0.00 57.00 55.47 1be2 n GLN 45 Cb 0.35 -1.66 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 1be2 n GLN 45 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1be2 h THR 46 N 0.00 0.00 -0.85 5.09 2.02 -0.26 -1.56 112.91 117.35 1be2 h THR 46 Ca 0.00 -0.99 0.22 0.00 0.77 0.00 0.00 66.41 66.41 1be2 h THR 46 Cb 0.06 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.33 1be2 h THR 46 CO 0.00 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.68 1be2 h VAL 47 N -0.99 0.36 0.68 3.16 2.07 -0.21 0.16 116.25 121.47 1be2 h VAL 47 Ca 0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1be2 h VAL 47 Cb 0.28 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1be2 h VAL 47 CO 0.00 0.04 -0.41 0.00 0.02 0.00 0.00 177.57 177.22 1be2 h ASN 49 N -1.02 -1.17 0.51 0.00 7.08 0.36 0.38 115.58 121.72 1be2 h ASN 49 Ca -0.09 0.25 -0.03 0.00 -3.08 0.00 0.00 56.30 53.36 1be2 h ASN 49 Cb 0.81 0.61 0.01 0.00 -2.08 0.00 0.00 38.32 37.67 1be2 h ASN 49 CO 0.10 -0.29 -0.25 0.00 -2.08 0.00 0.00 177.43 174.91 1be2 h LEU 51 N -0.98 -0.08 -0.13 0.00 5.85 -0.14 0.17 115.31 120.00 1be2 h LEU 51 Ca -0.07 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1be2 h LEU 51 Cb 0.61 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1be2 h LEU 51 CO 0.12 -0.01 -0.12 0.50 -0.34 0.00 0.00 178.44 178.59 1be2 h LYS 52 N 0.15 -0.14 0.07 1.25 3.64 -0.27 0.19 116.57 121.46 1be2 h LYS 52 Ca 0.19 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1be2 h LYS 52 Cb 0.25 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1be2 h LYS 52 CO -0.28 -0.09 -0.39 0.78 -2.27 0.00 0.00 179.45 177.20 1be2 h GLY 53 N -0.14 -0.75 0.84 5.01 0.00 0.65 -0.46 103.07 108.21 1be2 h GLY 53 Ca 0.09 0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.93 1be2 h GLY 53 CO -0.22 -0.26 0.45 0.16 0.00 0.00 0.00 176.54 176.67 1be2 h ILE 54 N -0.59 1.08 -0.82 2.60 3.07 -0.27 0.31 117.51 122.88 1be2 h ILE 54 Ca 0.04 -0.30 0.17 0.00 1.55 0.00 0.00 64.86 66.32 1be2 h ILE 54 Cb 0.64 0.14 -0.11 0.00 -0.27 0.00 0.00 36.82 37.23 1be2 h ILE 54 CO -0.26 0.16 0.35 0.00 -1.05 0.00 0.00 178.15 177.35 1be2 h ALA 55 N 1.32 1.22 0.00 0.16 0.00 0.16 1.03 119.26 123.15 1be2 h ALA 55 Ca 0.29 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1be2 h ALA 55 Cb 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1be2 h ALA 55 CO -0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 179.25 178.81 1be2 h ARG 56 N 0.46 0.00 -1.02 0.00 3.08 0.47 -3.30 114.38 114.07 1be2 h ARG 56 Ca 0.47 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.94 1be2 h ARG 56 Cb 0.78 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.54 1be2 h ARG 56 CO -0.44 0.09 0.74 0.41 -1.07 0.00 0.00 179.97 179.70 1be2 n GLY 57 N 0.70 5.08 3.53 0.04 0.00 0.35 -4.95 105.19 109.95 1be2 n GLY 57 Ca 0.02 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.92 1.80 0.04 -0.61 1.01 -0.98 -4.93 121.20 113.62 1be2 s ILE 58 Ca 0.59 -2.06 -0.19 0.00 0.00 0.00 0.00 60.65 58.98 1be2 s ILE 58 Cb 0.48 -2.79 -0.10 0.00 0.01 0.00 0.00 42.46 40.06 1be2 s ILE 58 CO 0.05 -0.09 1.30 -0.74 0.00 0.00 0.00 174.94 175.45 1be2 h HIS 59 N 1.98 -0.70 -1.31 3.97 2.76 -1.92 -3.41 115.15 116.54 1be2 h HIS 59 Ca -0.42 -0.01 -0.40 0.00 -2.20 0.00 0.00 60.37 57.35 1be2 h HIS 59 Cb 1.24 0.25 -0.36 0.00 1.55 0.00 0.00 27.41 30.09 1be2 h HIS 59 CO 0.69 -0.39 -1.08 -1.71 -1.30 0.00 0.00 177.93 174.14 1be2 n ASN 60 N -3.95 0.65 -2.84 3.26 4.05 -1.26 -5.11 115.26 110.07 1be2 n ASN 60 Ca -0.08 -2.90 -0.35 0.00 0.45 0.00 0.00 54.58 51.70 1be2 n ASN 60 Cb 0.27 -0.28 -0.04 0.00 1.23 0.00 0.00 39.78 40.96 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 0.09 -0.25 -4.00 1.20 -0.00 -1.26 -4.41 117.00 108.37 1be2 n LEU 61 Ca 0.15 0.73 -0.31 0.00 -0.00 0.00 0.00 56.01 56.59 1be2 n LEU 61 Cb 0.74 -0.59 -0.15 0.00 -0.00 0.00 0.00 43.42 43.42 1be2 n LEU 61 CO 0.20 -1.42 -0.29 0.21 -0.00 0.00 0.00 177.39 176.09 1be2 s ASN 62 N -0.20 4.62 0.00 1.96 2.47 0.14 -4.86 114.94 119.08 1be2 s ASN 62 Ca 0.52 -2.41 0.00 0.00 0.42 0.00 0.00 52.86 51.40 1be2 s ASN 62 Cb -0.74 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1be2 s ASN 62 CO 0.36 -0.34 0.00 -0.11 -3.72 0.00 0.00 177.10 173.29 1be2 n LEU 63 N 3.92 0.00 -0.26 3.21 0.00 -1.26 -0.94 117.00 121.67 1be2 n LEU 63 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.99 1be2 n LEU 63 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.75 1be2 n LEU 63 CO 0.25 0.00 0.39 -3.20 0.00 0.00 0.00 177.39 174.84 1be2 n ASN 64 N -3.29 -0.65 -0.09 1.96 2.85 -1.26 0.45 115.26 115.23 1be2 n ASN 64 Ca 0.00 1.28 -0.07 0.00 -0.11 0.00 0.00 54.58 55.68 1be2 n ASN 64 Cb 0.00 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 40.78 1be2 n ASN 64 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1be2 h ASN 65 N 0.00 0.09 -0.87 1.20 2.35 -1.37 0.24 115.58 117.23 1be2 h ASN 65 Ca 0.10 0.04 0.19 0.00 -0.55 0.00 0.00 56.30 56.08 1be2 h ASN 65 Cb 0.25 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1be2 h ASN 65 CO -0.57 0.09 0.58 0.00 -1.65 0.00 0.00 177.43 175.87 1be2 h ALA 66 N 1.21 2.19 0.04 -0.83 0.00 -0.07 0.01 119.26 121.80 1be2 h ALA 66 Ca 0.14 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1be2 h ALA 66 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1be2 h ALA 66 CO -0.16 -0.46 -1.54 0.00 0.00 0.00 0.00 179.25 177.10 1be2 h ALA 67 N 1.62 0.53 -0.48 0.00 0.00 0.60 -3.31 119.26 118.23 1be2 h ALA 67 Ca 0.44 -1.25 0.04 0.00 0.00 0.00 0.00 54.91 54.14 1be2 h ALA 67 Cb 1.10 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1be2 h ALA 67 CO -0.16 1.38 0.24 1.03 0.00 0.00 0.00 179.25 181.74 1be2 h SER 68 N 0.02 0.34 0.20 0.00 0.87 0.75 -1.15 113.55 114.58 1be2 h SER 68 Ca -0.23 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1be2 h SER 68 Cb 1.96 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.85 1be2 h SER 68 CO 0.11 0.24 -0.50 0.40 -0.53 0.00 0.00 176.83 176.55 1be2 h ILE 69 N 0.47 0.00 -0.35 2.23 1.08 -1.14 0.30 117.51 120.10 1be2 h ILE 69 Ca 0.21 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.78 1be2 h ILE 69 Cb 0.12 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 1be2 h ILE 69 CO -0.15 0.00 0.31 1.55 -0.69 0.00 0.00 178.15 179.16 1be2 h PRO 70 N -0.77 0.00 0.50 2.37 0.13 -1.66 -2.03 132.00 130.53 1be2 h PRO 70 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1be2 h PRO 70 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1be2 h PRO 70 CO -0.22 0.00 -0.24 1.03 -0.23 0.00 0.00 178.00 178.34 1be2 h SER 71 N 0.00 -0.56 -0.91 1.44 0.87 0.14 0.89 113.55 115.41 1be2 h SER 71 Ca 0.17 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.90 1be2 h SER 71 Cb 0.78 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.73 1be2 h SER 71 CO -0.00 -0.19 -0.32 0.29 -0.53 0.00 0.00 176.83 176.08 1be2 n LYS 72 N -4.97 -0.18 -0.92 2.24 5.02 0.92 0.21 118.16 120.49 1be2 n LYS 72 Ca -0.08 1.41 -0.05 0.00 -2.02 0.00 0.00 58.31 57.57 1be2 n LYS 72 Cb 0.26 -2.10 0.28 0.00 -0.02 0.00 0.00 35.03 33.46 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1be2 n ASN 74 N -0.04 -2.60 -0.32 0.00 5.03 0.13 -4.92 115.26 112.54 1be2 n ASN 74 Ca 0.36 -1.13 0.06 0.00 0.87 0.00 0.00 54.58 54.74 1be2 n ASN 74 Cb 1.27 -2.58 0.01 0.00 -1.02 0.00 0.00 39.78 37.46 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1be2 n VAL 75 N -4.54 0.00 -2.57 2.41 0.31 0.28 -5.01 118.33 109.21 1be2 n VAL 75 Ca -0.20 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1be2 n VAL 75 Cb 0.63 1.17 0.00 0.00 -0.91 0.00 0.00 33.84 34.73 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 -0.03 0.00 -4.54 4.52 2.04 -1.25 -4.86 115.26 111.14 1be2 n ASN 76 Ca 0.06 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.84 1be2 n ASN 76 Cb 0.27 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.41 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 -3.18 4.64 0.21 3.53 0.11 -1.26 -4.98 120.40 119.47 1be2 s VAL 77 Ca 0.00 -0.07 0.13 0.00 -2.93 0.00 0.00 61.98 59.11 1be2 s VAL 77 Cb 0.00 -3.14 0.21 0.00 -1.53 0.00 0.00 36.38 31.92 1be2 s VAL 77 CO 0.00 0.38 0.85 -2.65 -3.33 0.00 0.00 175.10 170.35 1be2 n PRO 78 N 4.34 -0.03 -3.43 1.54 -0.02 -1.26 -4.26 135.00 131.88 1be2 n PRO 78 Ca -0.16 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1be2 n PRO 78 Cb 0.52 -1.34 -0.10 0.00 -0.02 0.00 0.00 33.50 32.56 1be2 n PRO 78 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1be2 s TYR 79 N -4.74 3.22 0.26 6.00 -0.85 -1.26 -3.99 117.35 115.98 1be2 s TYR 79 Ca -0.05 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.48 1be2 s TYR 79 Cb 0.18 -2.62 -0.05 0.00 0.38 0.00 0.00 41.96 39.85 1be2 s TYR 79 CO 0.43 -0.40 0.06 0.95 -1.52 0.00 0.00 175.55 175.07 1be2 s THR 80 N 1.95 0.79 -0.06 -3.49 -4.23 -1.26 -5.02 115.64 104.32 1be2 s THR 80 Ca 0.10 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.42 1be2 s THR 80 Cb -0.17 -2.58 -0.23 0.00 1.34 0.00 0.00 72.50 70.86 1be2 s THR 80 CO 0.11 -0.09 1.23 0.00 -0.54 0.00 0.00 174.62 175.33 1be2 n ILE 81 N -0.49 0.00 -4.82 2.99 0.13 -1.26 -4.75 119.36 111.16 1be2 n ILE 81 Ca -0.02 -0.19 -0.30 0.00 -1.10 0.00 0.00 62.75 61.15 1be2 n ILE 81 Cb 0.66 -1.26 -0.14 0.00 -0.84 0.00 0.00 39.64 38.06 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 5.50 3.21 0.01 9.51 0.15 -1.26 -4.78 113.70 126.05 1be2 s SER 82 Ca 0.44 -0.61 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 1be2 s SER 82 Cb 0.08 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1be2 s SER 82 CO 0.21 0.25 0.10 -2.65 1.20 0.00 0.00 173.24 172.35 1be2 n PRO 83 N 1.62 -0.02 -3.98 5.44 -0.01 -1.26 -3.95 135.00 132.84 1be2 n PRO 83 Ca -0.17 0.10 -0.30 0.00 -0.01 0.00 0.00 63.50 63.11 1be2 n PRO 83 Cb 0.52 -0.14 -0.15 0.00 -0.01 0.00 0.00 33.50 33.72 1be2 n PRO 83 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1be2 s ASP 84 N -5.03 4.53 -0.44 2.55 2.15 -1.26 -4.89 116.67 114.28 1be2 s ASP 84 Ca -0.01 -2.55 -0.16 0.00 0.43 0.00 0.00 52.55 50.26 1be2 s ASP 84 Cb 0.01 -1.61 0.04 0.00 -0.30 0.00 0.00 42.92 41.06 1be2 s ASP 84 CO 0.04 -0.31 0.38 -0.63 -0.17 0.00 0.00 175.17 174.48 1be2 s ILE 85 N 0.36 5.20 0.06 4.11 1.01 -1.25 -4.92 121.20 125.76 1be2 s ILE 85 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1be2 s ILE 85 Cb -0.22 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1be2 s ILE 85 CO -0.05 -0.45 0.51 -0.67 0.00 0.00 0.00 174.94 174.29 1be2 n ASP 86 N 5.31 0.00 -0.24 3.58 -0.08 -1.26 -3.24 116.55 120.63 1be2 n ASP 86 Ca -0.11 0.05 0.23 0.00 -1.51 0.00 0.00 54.79 53.45 1be2 n ASP 86 Cb 0.46 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.34 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1be2 n SER 88 N -4.73 0.01 -0.03 0.00 7.64 -1.20 -2.32 113.62 113.00 1be2 n SER 88 Ca 0.27 0.55 -0.05 0.00 1.01 0.00 0.00 58.87 60.65 1be2 n SER 88 Cb 0.93 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 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 -4.09 0.12 0.00 1.43 -4.01 0.13 -5.03 116.66 105.22 1be2 n ARG 89 Ca 0.09 0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 1be2 n ARG 89 Cb 0.30 -0.87 0.00 0.00 -3.04 0.00 0.00 32.46 28.86 1be2 n ARG 89 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 1be2 n ILE 90 N -3.00 0.00 -0.20 8.89 5.41 -0.98 -5.04 119.36 124.44 1be2 n ILE 90 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1be2 n ILE 90 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55