#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 1.46 0.35 -1.43 3.84 -1.26 -4.86 114.94 113.04 1be2 s ASN 2 Ca 0.00 -0.74 0.09 0.00 0.21 0.00 0.00 52.86 52.42 1be2 s ASN 2 Cb 0.00 -0.00 0.83 0.00 -0.55 0.00 0.00 41.25 41.52 1be2 s ASN 2 CO 0.00 -0.21 1.83 0.00 -2.79 0.00 0.00 177.10 175.93 1be2 h GLY 4 N 0.68 1.06 0.73 0.00 0.00 -1.98 0.20 103.07 103.76 1be2 h GLY 4 Ca 0.50 -0.85 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1be2 h GLY 4 CO -0.26 0.78 -0.12 -1.61 0.00 0.00 0.00 176.54 175.33 1be2 h GLN 5 N 0.88 -0.21 -0.01 4.80 4.15 -1.57 0.37 115.11 123.52 1be2 h GLN 5 Ca 0.14 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1be2 h GLN 5 Cb 0.66 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1be2 h GLN 5 CO 0.05 -0.14 -0.08 0.28 -1.93 0.00 0.00 178.83 177.01 1be2 h VAL 6 N -0.22 0.00 0.05 2.39 2.07 -0.85 0.97 116.25 120.65 1be2 h VAL 6 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1be2 h VAL 6 Cb 0.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1be2 h VAL 6 CO -0.10 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.54 1be2 h ASP 7 N -0.09 -0.47 -0.74 0.57 1.82 -0.52 0.44 116.42 117.42 1be2 h ASP 7 Ca 0.00 0.06 0.21 0.00 -0.39 0.00 0.00 57.03 56.92 1be2 h ASP 7 Cb 0.10 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 1be2 h ASP 7 CO -0.06 -0.23 0.69 0.28 -1.61 0.00 0.00 179.24 178.31 1be2 h SER 8 N -0.30 0.00 0.00 2.28 0.02 -0.10 0.30 113.55 115.75 1be2 h SER 8 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1be2 h SER 8 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1be2 h SER 8 CO -0.12 0.00 -0.31 1.17 -1.14 0.00 0.00 176.83 176.42 1be2 n LYS 9 N -3.77 0.26 -0.14 3.45 0.00 0.32 -4.54 118.16 113.74 1be2 n LYS 9 Ca 0.15 0.38 -0.05 0.00 0.00 0.00 0.00 58.31 58.79 1be2 n LYS 9 Cb 0.95 -1.26 0.02 0.00 0.00 0.00 0.00 35.03 34.74 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 -0.56 -0.10 -0.10 1.64 2.86 0.21 -3.31 114.93 115.57 1be2 h MET 10 Ca 0.00 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1be2 h MET 10 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1be2 h MET 10 CO 0.00 -0.06 -0.06 1.17 1.06 0.00 0.00 176.91 179.02 1be2 n LYS 11 N -5.38 -0.04 -0.08 1.72 4.81 0.10 -0.01 118.16 119.27 1be2 n LYS 11 Ca 0.03 0.19 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 1be2 n LYS 11 Cb 0.29 -0.28 -0.08 0.00 0.02 0.00 0.00 35.03 34.98 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 -0.43 -0.99 1.64 0.13 -1.84 -1.46 132.00 129.05 1be2 h PRO 12 Ca 0.02 0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1be2 h PRO 12 Cb 0.04 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.21 1be2 h PRO 12 CO -0.09 -0.29 0.65 0.00 -0.23 0.00 0.00 178.00 178.03 1be2 h LEU 14 N 1.24 -0.36 0.01 0.00 3.38 0.48 1.60 115.31 121.65 1be2 h LEU 14 Ca 0.40 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.57 1be2 h LEU 14 Cb 0.03 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1be2 h LEU 14 CO -0.13 -0.15 -0.29 0.00 0.09 0.00 0.00 178.44 177.96 1be2 h THR 15 N 0.09 0.35 -0.58 0.22 1.03 0.04 -1.48 112.91 112.57 1be2 h THR 15 Ca 0.34 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.82 1be2 h THR 15 Cb 0.56 0.35 -0.10 0.00 -1.07 0.00 0.00 68.15 67.89 1be2 h THR 15 CO -0.59 0.00 -0.48 0.22 -0.01 0.00 0.00 175.52 174.66 1be2 h TYR 16 N -0.44 -1.43 -0.51 0.00 3.20 0.28 0.62 116.97 118.68 1be2 h TYR 16 Ca 0.06 0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.13 1be2 h TYR 16 Cb 0.53 0.71 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 1be2 h TYR 16 CO -0.32 -0.44 0.35 -0.39 -1.64 0.00 0.00 178.16 175.73 1be2 h VAL 17 N -0.25 0.85 0.00 1.81 -1.51 -0.11 0.15 116.25 117.19 1be2 h VAL 17 Ca 0.16 -0.08 -0.03 0.00 -1.23 0.00 0.00 66.70 65.52 1be2 h VAL 17 Cb 0.56 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1be2 h VAL 17 CO -0.70 0.04 -0.80 0.06 -1.23 0.00 0.00 177.57 174.94 1be2 h GLN 18 N 0.22 0.00 0.00 5.19 3.07 0.18 -2.63 115.11 121.13 1be2 h GLN 18 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1be2 h GLN 18 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1be2 h GLN 18 CO -0.04 0.08 0.00 0.41 0.09 0.00 0.00 178.83 179.36 1be2 n GLY 19 N 1.20 -0.36 3.66 0.06 0.00 0.19 -4.87 105.19 105.06 1be2 n GLY 19 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.12 -1.29 -0.02 0.00 -0.73 -4.73 107.32 102.67 1be2 s GLY 20 Ca 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 44.72 42.65 1be2 s GLY 20 CO 0.00 -1.90 2.85 -1.05 0.00 0.00 0.00 173.10 173.01 1be2 n PRO 21 N -1.03 3.72 -3.90 2.90 -0.02 -1.26 -4.66 135.00 130.75 1be2 n PRO 21 Ca -0.04 -2.46 -0.24 0.00 -2.02 0.00 0.00 63.50 58.75 1be2 n PRO 21 Cb 0.63 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1be2 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1be2 n GLY 22 N 2.74 3.61 3.35 -1.23 0.00 -1.26 -4.41 105.19 107.99 1be2 n GLY 22 Ca 0.68 -2.32 -0.46 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.41 3.88 0.09 1.61 0.04 -1.26 -5.07 135.00 130.89 1be2 s PRO 23 Ca 0.03 -2.73 0.01 0.00 0.04 0.00 0.00 61.00 58.35 1be2 s PRO 23 Cb -0.00 -4.56 0.03 0.00 0.04 0.00 0.00 34.50 30.01 1be2 s PRO 23 CO 0.02 -1.34 0.15 0.43 0.04 0.00 0.00 177.00 176.30 1be2 n SER 24 N 3.76 0.00 0.00 6.66 7.64 -1.26 -4.54 113.62 125.88 1be2 n SER 24 Ca 0.20 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1be2 n SER 24 Cb 0.44 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.70 3.67 0.20 0.23 0.00 -1.26 -4.94 105.19 102.38 1be2 n GLY 25 Ca 0.01 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.05 0.00 1.61 0.28 -1.26 -0.55 120.64 120.67 1be2 n GLU 26 Ca 0.00 0.85 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 1be2 n GLU 26 Cb 0.00 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1be2 n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1be2 n ASN 29 N -5.02 0.00 -0.08 0.00 4.13 -0.05 -0.65 115.26 113.59 1be2 n ASN 29 Ca 0.11 0.61 -0.07 0.00 1.68 0.00 0.00 54.58 56.91 1be2 n ASN 29 Cb 0.33 -0.11 -0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1be2 n ASN 29 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1be2 h GLY 30 N 0.00 0.25 -0.78 7.41 0.00 0.68 -2.04 103.07 108.58 1be2 h GLY 30 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.49 1be2 h GLY 30 CO 0.00 -0.08 -0.49 -2.08 0.00 0.00 0.00 176.54 173.88 1be2 h VAL 31 N 0.05 0.03 0.10 4.60 2.07 -0.07 0.22 116.25 123.25 1be2 h VAL 31 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1be2 h VAL 31 Cb 0.20 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1be2 h VAL 31 CO -0.26 0.00 -0.17 0.03 0.02 0.00 0.00 177.57 177.20 1be2 h ARG 32 N -0.11 -0.31 -0.75 1.57 3.08 -0.53 0.36 114.38 117.69 1be2 h ARG 32 Ca 0.20 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.42 1be2 h ARG 32 Cb 0.52 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.50 1be2 h ARG 32 CO -0.84 -0.21 -0.22 -0.44 -1.07 0.00 0.00 179.97 177.19 1be2 h ASP 33 N -0.32 -0.81 -0.10 7.04 3.32 0.05 1.51 116.42 127.10 1be2 h ASP 33 Ca 0.02 0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1be2 h ASP 33 Cb 0.34 0.50 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1be2 h ASP 33 CO -0.09 -0.26 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.00 1be2 h LEU 34 N -0.03 0.40 -0.15 1.55 4.07 0.30 0.42 115.31 121.87 1be2 h LEU 34 Ca 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1be2 h LEU 34 Cb 0.56 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1be2 h LEU 34 CO -0.78 0.54 0.00 1.57 -1.08 0.00 0.00 178.44 178.69 1be2 n HIS 35 N -4.24 0.48 -0.09 1.13 -0.00 0.44 0.35 115.22 113.29 1be2 n HIS 35 Ca 0.00 0.16 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 1be2 n HIS 35 Cb 0.29 -0.76 -0.13 0.00 -0.12 0.00 0.00 29.99 29.27 1be2 n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1be2 n ASN 36 N -1.91 1.55 0.05 0.26 5.03 0.27 -4.44 115.26 116.07 1be2 n ASN 36 Ca 0.05 -0.01 -0.13 0.00 0.87 0.00 0.00 54.58 55.37 1be2 n ASN 36 Cb 0.32 -0.20 -0.14 0.00 -1.02 0.00 0.00 39.78 38.74 1be2 n ASN 36 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1be2 h GLN 37 N 0.01 0.14 -4.74 3.52 4.20 -0.11 -3.45 115.11 114.69 1be2 h GLN 37 Ca -0.52 -0.23 -0.67 0.00 0.06 0.00 0.00 58.65 57.28 1be2 h GLN 37 Cb 2.00 0.09 -0.37 0.00 0.30 0.00 0.00 27.48 29.50 1be2 h GLN 37 CO -0.02 0.96 -0.72 0.00 -0.67 0.00 0.00 178.83 178.38 1be2 s ALA 38 N -2.64 2.81 0.00 3.87 0.00 0.16 -4.81 121.76 121.14 1be2 s ALA 38 Ca -0.06 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1be2 s ALA 38 Cb 0.08 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1be2 s ALA 38 CO 0.84 -1.47 0.00 1.04 0.00 0.00 0.00 175.76 176.16 1be2 n GLN 39 N 4.41 2.11 -2.54 0.00 1.13 -1.26 -4.40 117.38 116.82 1be2 n GLN 39 Ca -0.06 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.77 1be2 n GLN 39 Cb 0.42 -0.80 0.09 0.00 0.11 0.00 0.00 30.24 30.07 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1be2 s SER 40 N -2.37 4.52 -0.22 1.08 0.01 -1.26 -4.74 113.70 110.72 1be2 s SER 40 Ca 0.00 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 1be2 s SER 40 Cb 0.00 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.01 1be2 s SER 40 CO 0.00 -1.73 2.42 -1.20 0.41 0.00 0.00 173.24 173.14 1be2 n SER 41 N -2.78 6.01 0.00 2.44 7.64 -1.26 -1.05 113.62 124.62 1be2 n SER 41 Ca 0.13 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1be2 n SER 41 Cb 0.60 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.07 0.00 0.13 0.23 0.00 -1.26 -4.71 105.19 100.65 1be2 n GLY 42 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.17 2.00 -0.06 1.61 5.75 -1.21 -4.66 116.55 117.81 1be2 n ASP 43 Ca 0.00 -0.07 -0.05 0.00 -0.01 0.00 0.00 54.79 54.66 1be2 n ASP 43 Cb 0.07 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 1be2 n ASP 43 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1be2 h ARG 44 N -0.14 0.00 -0.36 0.11 1.12 -1.30 -3.34 114.38 110.47 1be2 h ARG 44 Ca -0.59 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.31 1be2 h ARG 44 Cb 1.85 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.76 1be2 h ARG 44 CO -0.14 0.28 -0.21 0.94 -3.11 0.00 0.00 179.97 177.73 1be2 n GLN 45 N -4.69 -0.16 0.00 0.20 0.00 -1.11 0.25 117.38 111.86 1be2 n GLN 45 Ca -0.05 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 1be2 n GLN 45 Cb 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 30.24 29.61 1be2 n GLN 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1be2 n THR 46 N -4.39 0.00 -0.32 1.69 -1.04 -1.26 -0.33 114.28 108.63 1be2 n THR 46 Ca 0.01 1.45 0.19 0.00 -2.04 0.00 0.00 64.05 63.65 1be2 n THR 46 Cb 0.09 -2.44 0.38 0.00 -1.82 0.00 0.00 70.33 66.54 1be2 n THR 46 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1be2 h VAL 47 N 0.00 0.18 0.47 12.58 2.07 -1.54 -0.63 116.25 129.38 1be2 h VAL 47 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1be2 h VAL 47 Cb 0.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1be2 h VAL 47 CO 0.00 0.03 -0.25 0.00 0.02 0.00 0.00 177.57 177.37 1be2 h ASN 49 N -0.66 0.37 0.04 0.00 2.35 0.76 0.21 115.58 118.65 1be2 h ASN 49 Ca -0.06 0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1be2 h ASN 49 Cb 0.52 0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1be2 h ASN 49 CO 0.09 -0.08 -0.28 0.00 -1.65 0.00 0.00 177.43 175.52 1be2 h LEU 51 N -0.71 0.73 0.67 0.00 6.46 -0.18 0.23 115.31 122.51 1be2 h LEU 51 Ca -0.05 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1be2 h LEU 51 Cb 1.17 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1be2 h LEU 51 CO 0.05 0.39 -0.46 0.50 -0.62 0.00 0.00 178.44 178.30 1be2 h LYS 52 N 0.83 -1.04 -0.69 1.25 3.64 -0.62 0.41 116.57 120.35 1be2 h LYS 52 Ca 0.44 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.95 1be2 h LYS 52 Cb 0.45 0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 1be2 h LYS 52 CO -0.27 -0.69 -0.41 0.41 -2.27 0.00 0.00 179.45 176.22 1be2 n GLY 53 N -1.58 -1.96 0.14 5.01 0.00 0.80 0.78 105.19 108.39 1be2 n GLY 53 Ca -0.13 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.65 1be2 n GLY 53 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1be2 h ILE 54 N 0.00 1.07 -0.48 -0.61 3.07 -0.52 0.12 117.51 120.17 1be2 h ILE 54 Ca 0.11 -0.14 0.14 0.00 1.55 0.00 0.00 64.86 66.52 1be2 h ILE 54 Cb 0.28 0.63 -0.02 0.00 -0.27 0.00 0.00 36.82 37.45 1be2 h ILE 54 CO -0.65 0.07 0.39 0.00 -1.05 0.00 0.00 178.15 176.91 1be2 h ALA 55 N 1.12 2.34 0.04 0.16 0.00 0.26 0.67 119.26 123.86 1be2 h ALA 55 Ca 0.11 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1be2 h ALA 55 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1be2 h ALA 55 CO -0.03 -0.63 -1.06 0.00 0.00 0.00 0.00 179.25 177.53 1be2 h ARG 56 N 0.00 0.10 -1.08 0.00 3.08 0.18 -3.28 114.38 113.37 1be2 h ARG 56 Ca 0.23 -0.16 -0.35 0.00 0.07 0.00 0.00 59.98 59.76 1be2 h ARG 56 Cb 1.00 0.06 -0.19 0.00 0.08 0.00 0.00 29.97 30.91 1be2 h ARG 56 CO -0.00 1.06 0.45 0.41 -1.07 0.00 0.00 179.97 180.81 1be2 n GLY 57 N 1.34 3.82 3.48 0.04 0.00 0.23 -4.90 105.19 109.20 1be2 n GLY 57 Ca -0.03 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.31 2.61 0.00 -0.61 1.01 -0.97 -4.97 121.20 115.96 1be2 s ILE 58 Ca 0.37 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1be2 s ILE 58 Cb 0.31 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1be2 s ILE 58 CO 0.05 -0.20 0.53 1.57 0.00 0.00 0.00 174.94 176.90 1be2 n HIS 59 N -0.05 0.00 -2.75 3.97 -0.00 -1.26 -4.29 115.22 110.84 1be2 n HIS 59 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.54 1be2 n HIS 59 Cb 0.57 -0.21 0.05 0.00 -0.00 0.00 0.00 29.99 30.40 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 -2.03 -2.87 -1.73 0.26 4.05 -1.26 -5.12 115.26 106.55 1be2 n ASN 60 Ca 0.00 -3.34 -0.24 0.00 0.45 0.00 0.00 54.58 51.45 1be2 n ASN 60 Cb 0.00 1.85 -0.03 0.00 1.23 0.00 0.00 39.78 42.82 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 1.56 0.26 -4.41 1.20 -0.00 -1.26 -4.77 117.00 109.59 1be2 n LEU 61 Ca 0.09 0.44 -0.45 0.00 -0.00 0.00 0.00 56.01 56.09 1be2 n LEU 61 Cb 0.63 -0.33 -0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1be2 n LEU 61 CO 0.04 -0.48 1.09 0.21 -0.00 0.00 0.00 177.39 178.25 1be2 s ASN 62 N 0.66 7.14 0.05 1.96 2.47 -0.99 -4.90 114.94 121.32 1be2 s ASN 62 Ca 0.37 -3.17 0.01 0.00 0.42 0.00 0.00 52.86 50.49 1be2 s ASN 62 Cb -0.52 -2.32 0.14 0.00 -1.45 0.00 0.00 41.25 37.10 1be2 s ASN 62 CO 0.27 -0.57 0.25 0.00 -3.72 0.00 0.00 177.10 173.33 1be2 n LEU 63 N 4.45 -0.01 -0.29 3.21 -0.00 -1.26 -0.73 117.00 122.36 1be2 n LEU 63 Ca 0.30 0.27 -0.01 0.00 -0.00 0.00 0.00 56.01 56.58 1be2 n LEU 63 Cb 0.42 -0.10 0.06 0.00 -0.00 0.00 0.00 43.42 43.79 1be2 n LEU 63 CO 0.54 -0.28 0.64 -1.13 -0.00 0.00 0.00 177.39 177.16 1be2 h ASN 64 N 0.00 -1.10 0.24 1.45 -0.73 -1.93 0.22 115.58 113.72 1be2 h ASN 64 Ca 0.10 0.26 0.01 0.00 1.87 0.00 0.00 56.30 58.54 1be2 h ASN 64 Cb 0.22 0.61 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 1be2 h ASN 64 CO -0.15 -0.29 -0.28 0.78 -0.37 0.00 0.00 177.43 177.12 1be2 h ASN 65 N -0.05 -0.78 -0.64 1.15 2.35 -1.24 0.15 115.58 116.52 1be2 h ASN 65 Ca 0.33 0.08 0.13 0.00 -0.55 0.00 0.00 56.30 56.29 1be2 h ASN 65 Cb 0.59 0.27 -0.12 0.00 0.05 0.00 0.00 38.32 39.12 1be2 h ASN 65 CO -0.85 -0.40 -0.13 0.00 -1.65 0.00 0.00 177.43 174.41 1be2 h ALA 66 N 0.06 0.47 -0.20 -0.83 0.00 -0.93 0.98 119.26 118.80 1be2 h ALA 66 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1be2 h ALA 66 Cb 0.54 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1be2 h ALA 66 CO -0.09 -0.42 -0.44 0.00 0.00 0.00 0.00 179.25 178.30 1be2 h ALA 67 N 1.63 0.86 0.03 0.00 0.00 -0.37 -3.00 119.26 118.41 1be2 h ALA 67 Ca 0.31 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1be2 h ALA 67 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1be2 h ALA 67 CO -0.64 0.65 -0.16 1.03 0.00 0.00 0.00 179.25 180.13 1be2 h SER 68 N 0.41 -0.46 -0.04 0.00 0.87 0.50 -1.37 113.55 113.46 1be2 h SER 68 Ca 0.03 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1be2 h SER 68 Cb 0.94 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1be2 h SER 68 CO 0.08 -0.23 -0.02 -0.38 -0.53 0.00 0.00 176.83 175.76 1be2 n ILE 69 N -5.29 -0.02 -0.24 2.23 2.08 0.19 -0.77 119.36 117.54 1be2 n ILE 69 Ca -0.06 1.42 -0.06 0.00 0.56 0.00 0.00 62.75 64.62 1be2 n ILE 69 Cb 0.21 -1.89 0.05 0.00 -0.75 0.00 0.00 39.64 37.26 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 0.91 -1.00 0.38 0.13 -1.64 0.31 132.00 131.09 1be2 h PRO 70 Ca 0.01 -0.08 0.22 0.00 -0.87 0.00 0.00 66.00 65.28 1be2 h PRO 70 Cb 0.01 -0.20 -0.11 0.00 0.13 0.00 0.00 31.00 30.84 1be2 h PRO 70 CO -0.03 0.64 0.61 1.03 -0.23 0.00 0.00 178.00 180.02 1be2 h SER 71 N 0.92 0.69 0.01 1.44 0.87 -0.03 -0.57 113.55 116.88 1be2 h SER 71 Ca 0.25 0.10 -0.41 0.00 -1.23 0.00 0.00 61.79 60.50 1be2 h SER 71 Cb -0.05 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 1be2 h SER 71 CO -0.05 0.19 -2.32 0.29 -0.53 0.00 0.00 176.83 174.42 1be2 n LYS 72 N -4.77 0.61 0.07 2.24 5.02 0.05 -4.42 118.16 116.97 1be2 n LYS 72 Ca 0.24 0.28 0.20 0.00 -2.02 0.00 0.00 58.31 57.01 1be2 n LYS 72 Cb 0.67 -1.55 0.74 0.00 -0.02 0.00 0.00 35.03 34.87 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 -3.97 -2.01 -1.74 0.00 4.13 -0.25 -4.98 115.26 106.45 1be2 n ASN 74 Ca 0.08 -0.08 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1be2 n ASN 74 Cb 0.58 -1.06 0.06 0.00 -1.54 0.00 0.00 39.78 37.82 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 -1.38 2.38 0.00 2.41 0.31 -1.05 -5.05 118.33 115.96 1be2 n VAL 75 Ca -0.03 -3.92 0.00 0.00 -0.01 0.00 0.00 64.34 60.37 1be2 n VAL 75 Cb 0.52 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 -4.15 4.52 2.04 -1.26 -4.87 115.26 110.76 1be2 n ASN 76 Ca 0.37 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 54.40 1be2 n ASN 76 Cb 0.90 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 38.05 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 0.00 0.63 0.20 3.53 0.11 -1.26 -5.03 120.40 118.58 1be2 s VAL 77 Ca 0.00 -1.82 -0.09 0.00 -2.93 0.00 0.00 61.98 57.15 1be2 s VAL 77 Cb 0.00 -1.53 0.12 0.00 -1.53 0.00 0.00 36.38 33.44 1be2 s VAL 77 CO 0.00 -0.82 1.73 -0.65 -3.33 0.00 0.00 175.10 172.02 1be2 h PRO 78 N 3.17 1.12 -6.02 1.54 0.11 -1.92 -3.42 132.00 126.59 1be2 h PRO 78 Ca -0.35 -0.25 -0.58 0.00 0.11 0.00 0.00 66.00 64.93 1be2 h PRO 78 Cb 1.17 -0.16 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 1be2 h PRO 78 CO 0.62 0.97 0.98 1.52 -0.21 0.00 0.00 178.00 181.88 1be2 s TYR 79 N -5.38 2.46 -0.07 0.65 -0.85 -1.26 -4.92 117.35 107.98 1be2 s TYR 79 Ca -0.12 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.08 1be2 s TYR 79 Cb 0.15 -4.54 0.02 0.00 0.38 0.00 0.00 41.96 37.97 1be2 s TYR 79 CO 0.84 -1.92 -0.08 -0.08 -1.52 0.00 0.00 175.55 172.79 1be2 s THR 80 N 5.05 0.88 0.00 -3.49 -1.32 -1.26 -4.99 115.64 110.50 1be2 s THR 80 Ca 0.33 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1be2 s THR 80 Cb -0.09 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1be2 s THR 80 CO 0.09 0.31 0.00 0.00 -2.21 0.00 0.00 174.62 172.81 1be2 n ILE 81 N 4.24 0.00 -4.30 5.08 0.13 -1.26 -4.85 119.36 118.40 1be2 n ILE 81 Ca -0.20 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.27 1be2 n ILE 81 Cb 0.51 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 39.18 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 1.35 0.43 9.51 0.01 -1.26 -4.76 113.70 118.98 1be2 s SER 82 Ca 0.00 -0.39 0.15 0.00 1.31 0.00 0.00 55.95 57.02 1be2 s SER 82 Cb 0.00 -0.08 1.05 0.00 0.21 0.00 0.00 66.02 67.20 1be2 s SER 82 CO 0.00 0.01 1.95 1.55 0.41 0.00 0.00 173.24 177.17 1be2 h PRO 83 N 5.13 0.39 -1.91 12.44 0.13 -1.76 -3.37 132.00 143.04 1be2 h PRO 83 Ca -0.36 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.36 1be2 h PRO 83 Cb 1.18 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 1be2 h PRO 83 CO 0.45 0.25 0.24 -3.47 -0.23 0.00 0.00 178.00 175.24 1be2 n ASP 84 N -4.47 6.21 -4.46 1.44 2.03 -1.26 -4.92 116.55 111.12 1be2 n ASP 84 Ca 0.12 -3.02 -0.43 0.00 0.52 0.00 0.00 54.79 51.98 1be2 n ASP 84 Cb 0.46 -1.23 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 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 -1.58 5.22 -0.14 5.18 1.01 -1.26 -4.99 121.20 124.64 1be2 s ILE 85 Ca 0.54 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1be2 s ILE 85 Cb 0.34 -3.90 -0.15 0.00 0.01 0.00 0.00 42.46 38.76 1be2 s ILE 85 CO -0.14 -0.29 3.25 -0.67 0.00 0.00 0.00 174.94 177.09 1be2 n ASP 86 N 5.15 5.63 -0.02 3.58 -0.08 -1.26 -4.80 116.55 124.75 1be2 n ASP 86 Ca -0.11 -2.70 0.01 0.00 -1.51 0.00 0.00 54.79 50.48 1be2 n ASP 86 Cb 0.47 -1.34 0.02 0.00 2.34 0.00 0.00 41.12 42.61 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1be2 h SER 88 N 0.00 -0.65 0.00 0.00 0.02 -1.91 -3.38 113.55 107.62 1be2 h SER 88 Ca 0.04 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1be2 h SER 88 Cb 0.08 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1be2 h SER 88 CO -0.07 -0.32 -1.18 -2.11 -1.14 0.00 0.00 176.83 172.02 1be2 n ARG 89 N -5.35 0.63 -4.11 3.45 1.85 -0.13 -4.87 116.66 108.12 1be2 n ARG 89 Ca -0.06 -0.03 -0.28 0.00 -1.00 0.00 0.00 57.85 56.47 1be2 n ARG 89 Cb 0.27 -1.09 -0.08 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.70 -0.98 -0.98 8.89 5.41 0.60 -5.10 119.36 125.50 1be2 n ILE 90 Ca -0.01 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.29 1be2 n ILE 90 Cb 0.18 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55