#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bdt s LYS 3 N 0.00 0.70 -0.12 1.97 1.02 -1.26 -1.90 119.74 120.15 2bdt s LYS 3 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2bdt s LYS 3 Cb 0.00 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2bdt s LYS 3 CO 0.00 0.18 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.22 2bdt s LEU 4 N -0.19 2.14 -0.29 3.17 2.96 -0.76 -0.83 118.68 124.88 2bdt s LEU 4 Ca 0.03 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2bdt s LEU 4 Cb -0.03 -1.44 0.06 0.00 0.50 0.00 0.00 46.19 45.27 2bdt s LEU 4 CO -0.00 0.13 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.83 2bdt s TYR 5 N 0.50 3.29 -0.71 5.38 2.02 0.60 0.15 117.35 128.58 2bdt s TYR 5 Ca -0.15 -2.05 -0.16 0.00 -0.37 0.00 0.00 57.07 54.35 2bdt s TYR 5 Cb -0.17 -2.12 0.16 0.00 -0.40 0.00 0.00 41.96 39.43 2bdt s TYR 5 CO 0.05 -0.83 0.70 0.42 -1.57 0.00 0.00 175.55 174.32 2bdt s ILE 6 N 1.20 5.29 -0.36 2.71 1.01 0.40 -0.71 121.20 130.73 2bdt s ILE 6 Ca -0.05 -1.85 -0.17 0.00 0.00 0.00 0.00 60.65 58.57 2bdt s ILE 6 Cb -0.20 -4.46 -0.00 0.00 0.01 0.00 0.00 42.46 37.81 2bdt s ILE 6 CO -0.02 -1.03 0.44 -0.63 0.00 0.00 0.00 174.94 173.70 2bdt s ILE 7 N 1.23 5.08 0.00 2.92 -1.09 -0.59 -1.09 121.20 127.66 2bdt s ILE 7 Ca 0.13 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2bdt s ILE 7 Cb -0.18 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2bdt s ILE 7 CO -0.03 -0.22 0.00 1.07 -1.23 0.00 0.00 174.94 174.53 2bdt n THR 8 N 5.37 0.00 0.00 2.92 5.66 0.48 -3.31 114.28 125.40 2bdt n THR 8 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2bdt n THR 8 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2bdt n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bdt n GLY 9 N 3.12 3.46 3.45 1.09 0.00 -1.26 -1.44 105.19 113.61 2bdt n GLY 9 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 2bdt n GLY 9 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bdt n PRO 10 N -1.44 -0.40 -2.03 1.61 -0.02 -1.26 -4.88 135.00 126.57 2bdt n PRO 10 Ca 0.00 -0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 2bdt n PRO 10 Cb 0.00 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2bdt n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bdt s ALA 11 N -2.43 2.93 0.00 3.55 0.00 -1.26 -2.85 121.76 121.69 2bdt s ALA 11 Ca 0.59 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2bdt s ALA 11 Cb -0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2bdt s ALA 11 CO 0.66 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2bdt n GLY 12 N 0.59 0.93 0.02 0.00 0.00 -1.26 -4.89 105.19 100.58 2bdt n GLY 12 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bdt n GLY 12 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2bdt n VAL 13 N -2.10 0.23 -0.46 1.61 3.14 -1.13 -4.91 118.33 114.70 2bdt n VAL 13 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2bdt n VAL 13 Cb 0.00 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 2bdt n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bdt n GLY 14 N 1.25 1.58 0.10 7.55 0.00 -1.26 -4.90 105.19 109.52 2bdt n GLY 14 Ca 0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2bdt n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bdt h LYS 15 N 0.00 0.24 0.13 1.61 1.57 -1.91 -1.49 116.57 116.72 2bdt h LYS 15 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2bdt h LYS 15 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2bdt h LYS 15 CO 0.00 0.36 -0.20 1.03 -0.57 0.00 0.00 179.45 180.07 2bdt h SER 16 N 0.07 -0.54 -0.81 0.86 0.87 -1.96 0.94 113.55 112.98 2bdt h SER 16 Ca 0.05 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2bdt h SER 16 Cb 0.22 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 2bdt h SER 16 CO -0.00 -0.28 0.50 0.74 -0.53 0.00 0.00 176.83 177.25 2bdt h THR 17 N -0.39 1.06 -0.21 2.23 2.02 -1.97 -1.38 112.91 114.27 2bdt h THR 17 Ca 0.02 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2bdt h THR 17 Cb 0.40 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2bdt h THR 17 CO -0.09 0.17 -0.20 0.74 0.37 0.00 0.00 175.52 176.50 2bdt h THR 18 N 0.93 1.33 -0.50 3.16 2.02 -1.02 -2.88 112.91 115.95 2bdt h THR 18 Ca 0.34 -1.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 2bdt h THR 18 Cb 0.12 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2bdt h THR 18 CO -0.15 0.42 0.15 0.00 0.37 0.00 0.00 175.52 176.30 2bdt h LYS 20 N 0.67 1.23 -0.16 0.00 1.57 -1.31 0.31 116.57 118.89 2bdt h LYS 20 Ca 0.16 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2bdt h LYS 20 Cb 0.28 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2bdt h LYS 20 CO -0.00 0.87 -0.32 -0.09 -0.57 0.00 0.00 179.45 179.34 2bdt h ARG 21 N 1.25 0.51 0.15 3.15 9.65 -1.34 -2.60 114.38 125.14 2bdt h ARG 21 Ca 0.32 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2bdt h ARG 21 Cb -0.03 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2bdt h ARG 21 CO -0.06 0.93 -0.14 1.25 2.80 0.00 0.00 179.97 184.76 2bdt h LEU 22 N 0.14 -0.37 -0.27 3.80 5.85 -0.68 -2.71 115.31 121.08 2bdt h LEU 22 Ca 0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 2bdt h LEU 22 Cb 0.92 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2bdt h LEU 22 CO 0.07 -0.22 -0.13 0.00 -0.34 0.00 0.00 178.44 177.82 2bdt h ALA 23 N 0.51 0.08 0.00 1.25 0.00 -1.00 -0.52 119.26 119.58 2bdt h ALA 23 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bdt h ALA 23 Cb 0.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2bdt h ALA 23 CO -0.03 -0.54 0.04 0.00 0.00 0.00 0.00 179.25 178.72 2bdt n ALA 24 N -2.64 0.99 0.02 0.00 0.00 -0.98 -2.00 120.51 115.90 2bdt n ALA 24 Ca -0.00 0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 2bdt n ALA 24 Cb 0.22 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 2bdt n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2bdt h GLN 25 N 0.00 0.00 -7.13 0.00 4.20 -0.77 -3.47 115.11 107.94 2bdt h GLN 25 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 2bdt h GLN 25 Cb 0.08 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 2bdt h GLN 25 CO 0.00 0.57 0.36 -0.51 -0.67 0.00 0.00 178.83 178.58 2bdt s LEU 26 N -6.20 3.76 0.15 1.46 2.01 -0.85 -4.97 118.68 114.03 2bdt s LEU 26 Ca -0.02 1.67 -0.12 0.00 0.01 0.00 0.00 54.13 55.67 2bdt s LEU 26 Cb 0.09 -4.53 -0.00 0.00 0.01 0.00 0.00 46.19 41.76 2bdt s LEU 26 CO 0.81 -0.56 1.55 0.44 1.01 0.00 0.00 176.35 179.60 2bdt h ASP 27 N 1.32 0.91 -3.24 2.29 3.32 -1.90 -3.41 116.42 115.71 2bdt h ASP 27 Ca -0.48 -0.36 -0.50 0.00 0.02 0.00 0.00 57.03 55.70 2bdt h ASP 27 Cb 1.19 -0.25 -0.40 0.00 0.22 0.00 0.00 39.33 40.09 2bdt h ASP 27 CO 0.61 1.06 -0.76 0.20 -1.72 0.00 0.00 179.24 178.63 2bdt s ASN 28 N -6.53 2.71 0.18 6.45 0.01 -1.26 -5.11 114.94 111.38 2bdt s ASN 28 Ca -0.12 -0.72 -0.12 0.00 -0.71 0.00 0.00 52.86 51.19 2bdt s ASN 28 Cb 0.11 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.25 2bdt s ASN 28 CO 0.84 -0.30 0.37 -0.94 -1.51 0.00 0.00 177.10 175.56 2bdt s SER 29 N 1.91 -0.06 -0.02 -1.22 1.04 -1.26 -0.60 113.70 113.49 2bdt s SER 29 Ca 0.00 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.73 2bdt s SER 29 Cb -0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 2bdt s SER 29 CO -0.08 -0.95 -0.12 0.00 0.98 0.00 0.00 173.24 173.07 2bdt s ALA 30 N -3.94 1.06 -0.21 5.32 0.00 0.20 -4.80 121.76 119.39 2bdt s ALA 30 Ca 0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 2bdt s ALA 30 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2bdt s ALA 30 CO -0.01 0.24 -0.10 -0.47 0.00 0.00 0.00 175.76 175.43 2bdt s TYR 31 N -0.19 2.92 -0.19 0.00 5.04 -1.26 -0.19 117.35 123.47 2bdt s TYR 31 Ca 0.03 -1.30 -0.04 0.00 -2.44 0.00 0.00 57.07 53.32 2bdt s TYR 31 Cb -0.06 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 2bdt s TYR 31 CO -0.00 -0.67 -0.04 0.42 -1.34 0.00 0.00 175.55 173.92 2bdt s ILE 32 N 1.38 3.60 -0.44 3.14 1.01 0.37 -4.99 121.20 125.28 2bdt s ILE 32 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 2bdt s ILE 32 Cb -0.14 -2.61 0.06 0.00 0.01 0.00 0.00 42.46 39.78 2bdt s ILE 32 CO -0.07 0.45 0.32 -1.61 0.00 0.00 0.00 174.94 174.03 2bdt s GLU 33 N 1.00 2.86 0.31 2.79 2.02 -1.26 -0.84 118.70 125.57 2bdt s GLU 33 Ca 0.01 -1.30 0.08 0.00 0.02 0.00 0.00 54.97 53.77 2bdt s GLU 33 Cb -0.15 -3.97 0.85 0.00 0.10 0.00 0.00 34.13 30.97 2bdt s GLU 33 CO 0.01 -0.93 1.70 0.78 0.02 0.00 0.00 175.26 176.84 2bdt h GLY 34 N 8.60 1.75 1.04 -1.39 0.00 -0.86 -1.68 103.07 110.54 2bdt h GLY 34 Ca -0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2bdt h GLY 34 CO 0.80 -0.31 0.52 -0.55 0.00 0.00 0.00 176.54 177.00 2bdt h ASP 35 N 0.43 1.13 -0.51 0.19 3.32 -1.94 -0.92 116.42 118.12 2bdt h ASP 35 Ca 0.62 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.51 2bdt h ASP 35 Cb 1.24 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2bdt h ASP 35 CO -0.54 0.89 0.03 -0.29 -1.72 0.00 0.00 179.24 177.61 2bdt h ILE 36 N 1.28 1.25 -0.08 0.35 6.09 -1.71 -0.30 117.51 124.40 2bdt h ILE 36 Ca 0.33 -1.04 -0.00 0.00 -1.37 0.00 0.00 64.86 62.77 2bdt h ILE 36 Cb -0.01 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 38.07 2bdt h ILE 36 CO -0.06 0.38 0.03 0.40 -3.07 0.00 0.00 178.15 175.83 2bdt h ILE 37 N 0.87 1.15 -0.61 2.19 1.08 -1.27 -3.03 117.51 117.88 2bdt h ILE 37 Ca 0.17 -0.45 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2bdt h ILE 37 Cb 0.47 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2bdt h ILE 37 CO 0.02 0.13 0.40 -1.13 -0.69 0.00 0.00 178.15 176.88 2bdt h ASN 38 N -0.04 0.69 -0.40 1.72 -1.24 -1.00 -3.40 115.58 111.91 2bdt h ASN 38 Ca 0.03 -0.02 -0.59 0.00 0.71 0.00 0.00 56.30 56.43 2bdt h ASN 38 Cb 0.18 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 2bdt h ASN 38 CO -0.00 0.49 2.15 1.41 -1.29 0.00 0.00 177.43 180.19 2bdt n HIS 39 N -4.67 3.38 -0.19 0.67 8.25 -0.14 -4.94 115.22 117.57 2bdt n HIS 39 Ca 0.05 -2.32 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 2bdt n HIS 39 Cb 0.03 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 28.70 2bdt n HIS 39 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2bdt n VAL 41 N 6.38 0.00 0.00 1.59 3.14 -1.26 -5.06 118.33 123.13 2bdt n VAL 41 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 2bdt n VAL 41 Cb 0.43 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2bdt n VAL 41 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2bdt n VAL 42 N 0.63 0.00 -1.68 1.55 0.31 -1.26 -4.54 118.33 113.35 2bdt n VAL 42 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2bdt n VAL 42 Cb 0.00 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.94 2bdt n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bdt n GLY 43 N 2.57 1.61 1.65 2.92 0.00 -1.26 -1.26 105.19 111.42 2bdt n GLY 43 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2bdt n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bdt n GLY 44 N 4.31 0.54 3.74 -0.02 0.00 -1.26 -5.03 105.19 107.48 2bdt n GLY 44 Ca 0.20 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2bdt n GLY 44 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bdt s TYR 45 N -2.00 2.27 -0.16 1.61 5.04 -0.39 -5.04 117.35 118.68 2bdt s TYR 45 Ca 0.00 1.46 -0.18 0.00 -2.44 0.00 0.00 57.07 55.91 2bdt s TYR 45 Cb 0.00 -3.66 0.05 0.00 0.35 0.00 0.00 41.96 38.70 2bdt s TYR 45 CO 0.00 -2.66 0.49 0.50 -1.34 0.00 0.00 175.55 172.54 2bdt s ARG 46 N -3.18 0.63 0.79 4.97 6.06 -1.26 -5.10 118.95 121.86 2bdt s ARG 46 Ca 0.77 0.56 -0.14 0.00 -2.50 0.00 0.00 55.73 54.41 2bdt s ARG 46 Cb -0.36 0.30 0.06 0.00 0.06 0.00 0.00 34.95 35.01 2bdt s ARG 46 CO 0.40 -0.10 1.14 -0.35 -2.50 0.00 0.00 175.30 173.89 2bdt n PRO 47 N 2.49 0.29 -0.35 5.12 -0.04 -1.26 -4.83 135.00 136.42 2bdt n PRO 47 Ca -0.15 0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.64 2bdt n PRO 47 Cb 0.57 -2.38 0.36 0.00 -0.04 0.00 0.00 33.50 32.00 2bdt n PRO 47 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2bdt h PRO 48 N -0.71 0.62 0.00 0.54 0.11 -1.97 -0.24 132.00 130.35 2bdt h PRO 48 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2bdt h PRO 48 Cb 1.31 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bdt h PRO 48 CO 0.46 0.41 0.00 -2.67 -0.21 0.00 0.00 178.00 175.99 2bdt n TRP 49 N -4.85 0.00 -0.08 0.65 2.14 -1.26 -3.34 117.44 110.69 2bdt n TRP 49 Ca 0.25 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.82 2bdt n TRP 49 Cb 0.68 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.18 2bdt n TRP 49 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2bdt n GLU 50 N -0.72 0.73 -3.19 -2.67 1.02 -0.10 -4.97 120.64 110.74 2bdt n GLU 50 Ca 0.10 -0.89 0.01 0.00 -0.02 0.00 0.00 57.16 56.36 2bdt n GLU 50 Cb 0.05 -0.96 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2bdt n GLU 50 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bdt s SER 51 N -0.41 -1.10 0.56 1.62 0.15 -1.20 -4.94 113.70 108.37 2bdt s SER 51 Ca 0.00 0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.12 2bdt s SER 51 Cb 0.00 1.82 1.63 0.00 -1.71 0.00 0.00 66.02 67.76 2bdt s SER 51 CO 0.00 -0.31 2.12 0.44 1.20 0.00 0.00 173.24 176.69 2bdt h ASP 52 N 8.04 0.00 0.15 5.45 3.32 -1.93 -1.35 116.42 130.11 2bdt h ASP 52 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2bdt h ASP 52 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2bdt h ASP 52 CO 0.19 0.07 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.39 2bdt h GLU 53 N 0.00 -0.19 -0.47 3.56 4.39 -1.94 -1.33 114.58 118.60 2bdt h GLU 53 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2bdt h GLU 53 Cb 0.29 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2bdt h GLU 53 CO 0.01 0.25 0.11 -0.07 -1.16 0.00 0.00 179.01 178.15 2bdt h LEU 54 N -0.78 0.65 -0.46 1.33 3.38 -1.88 -1.04 115.31 116.50 2bdt h LEU 54 Ca -0.02 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2bdt h LEU 54 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2bdt h LEU 54 CO 0.03 0.65 -0.17 0.25 0.09 0.00 0.00 178.44 179.29 2bdt h LEU 55 N 0.68 0.95 -1.02 1.67 5.85 -1.30 -1.38 115.31 120.77 2bdt h LEU 55 Ca 0.15 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 2bdt h LEU 55 Cb 0.26 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2bdt h LEU 55 CO -0.00 1.12 -0.13 0.00 -0.34 0.00 0.00 178.44 179.10 2bdt h ALA 56 N 0.86 1.18 0.04 1.25 0.00 -0.80 -2.14 119.26 119.65 2bdt h ALA 56 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bdt h ALA 56 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2bdt h ALA 56 CO 0.06 0.53 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 2bdt h LEU 57 N 0.52 -0.04 -0.76 0.00 5.85 -0.87 -0.42 115.31 119.59 2bdt h LEU 57 Ca 0.09 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2bdt h LEU 57 Cb 0.52 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2bdt h LEU 57 CO 0.03 0.06 0.34 0.74 -0.34 0.00 0.00 178.44 179.27 2bdt h THR 58 N -0.14 0.73 0.00 1.05 2.02 -0.92 0.99 112.91 116.63 2bdt h THR 58 Ca -0.01 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 2bdt h THR 58 Cb 0.12 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2bdt h THR 58 CO 0.01 0.10 -0.38 -0.50 0.37 0.00 0.00 175.52 175.11 2bdt h TRP 59 N 0.52 0.00 -0.05 3.16 4.06 -1.09 -0.17 115.95 122.38 2bdt h TRP 59 Ca 0.40 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.34 2bdt h TRP 59 Cb 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2bdt h TRP 59 CO -0.13 0.38 -0.03 -0.22 -3.56 0.00 0.00 178.44 174.88 2bdt h LYS 60 N 0.00 0.11 -0.63 0.49 1.63 0.72 -0.33 116.57 118.55 2bdt h LYS 60 Ca -0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2bdt h LYS 60 Cb 0.90 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.50 2bdt h LYS 60 CO 0.05 0.50 0.29 -0.91 -3.45 0.00 0.00 179.45 175.93 2bdt h ASN 61 N -0.28 0.84 -0.24 4.20 -0.26 -0.73 -0.98 115.58 118.14 2bdt h ASN 61 Ca 0.01 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 2bdt h ASN 61 Cb 0.47 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2bdt h ASN 61 CO 0.01 0.75 0.14 0.40 -1.06 0.00 0.00 177.43 177.66 2bdt h ILE 62 N 0.88 1.11 -0.26 2.81 2.04 -0.99 -2.09 117.51 121.01 2bdt h ILE 62 Ca 0.22 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2bdt h ILE 62 Cb 0.14 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2bdt h ILE 62 CO -0.03 0.11 0.16 0.74 0.00 0.00 0.00 178.15 179.13 2bdt h THR 63 N 0.28 1.04 -0.25 -0.27 2.02 -0.76 -0.51 112.91 114.47 2bdt h THR 63 Ca 0.08 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 2bdt h THR 63 Cb 0.05 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2bdt h THR 63 CO -0.01 0.06 -0.12 0.44 0.37 0.00 0.00 175.52 176.25 2bdt h ASP 64 N 0.33 0.40 -0.25 4.18 3.45 -1.12 -1.38 116.42 122.03 2bdt h ASP 64 Ca 0.10 -0.10 -0.19 0.00 0.43 0.00 0.00 57.03 57.27 2bdt h ASP 64 Cb -0.02 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2bdt h ASP 64 CO -0.04 0.56 -0.58 -0.07 -1.57 0.00 0.00 179.24 177.54 2bdt h LEU 65 N 0.39 0.96 -0.36 1.55 4.07 -1.08 -2.75 115.31 118.09 2bdt h LEU 65 Ca 0.08 -0.53 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 2bdt h LEU 65 Cb 0.46 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 2bdt h LEU 65 CO 0.03 1.33 0.15 0.74 -1.08 0.00 0.00 178.44 179.60 2bdt h THR 66 N 0.64 1.18 -0.02 0.22 2.02 -0.70 -1.60 112.91 114.65 2bdt h THR 66 Ca 0.00 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.65 2bdt h THR 66 Cb 1.19 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2bdt h THR 66 CO 0.13 0.20 -0.04 0.58 0.37 0.00 0.00 175.52 176.76 2bdt h VAL 67 N 0.43 0.89 -0.47 3.16 2.07 -1.28 -1.33 116.25 119.72 2bdt h VAL 67 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 2bdt h VAL 67 Cb 0.17 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2bdt h VAL 67 CO -0.01 0.00 0.19 0.78 0.02 0.00 0.00 177.57 178.55 2bdt h ASN 68 N -0.06 0.23 -0.77 0.57 -0.26 -1.35 -0.32 115.58 113.62 2bdt h ASN 68 Ca 0.02 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 2bdt h ASN 68 Cb 0.09 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 2bdt h ASN 68 CO -0.05 0.17 0.34 -0.26 -1.06 0.00 0.00 177.43 176.56 2bdt h PHE 69 N 0.38 1.15 -0.13 1.19 0.05 -1.07 -0.75 116.94 117.77 2bdt h PHE 69 Ca 0.22 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.91 2bdt h PHE 69 Cb 0.19 -0.35 -0.00 0.00 2.00 0.00 0.00 35.95 37.78 2bdt h PHE 69 CO -0.14 0.86 -0.00 -0.07 -0.18 0.00 0.00 178.31 178.78 2bdt h LEU 70 N 1.11 0.24 -1.94 1.54 3.38 -0.86 0.57 115.31 119.34 2bdt h LEU 70 Ca 0.26 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bdt h LEU 70 Cb 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2bdt h LEU 70 CO -0.03 0.50 -0.02 -0.07 0.09 0.00 0.00 178.44 178.92 2bdt h LEU 71 N -0.03 0.01 -0.10 1.67 3.38 -0.92 0.21 115.31 119.54 2bdt h LEU 71 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2bdt h LEU 71 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2bdt h LEU 71 CO 0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2bdt n ALA 72 N -2.53 2.50 -1.74 1.53 0.00 -0.30 -4.86 120.51 115.10 2bdt n ALA 72 Ca -0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 2bdt n ALA 72 Cb 0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2bdt n ALA 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bdt n GLN 73 N -0.43 -0.45 -4.48 0.00 1.13 0.06 -5.04 117.38 108.17 2bdt n GLN 73 Ca 0.01 0.46 -0.34 0.00 -1.94 0.00 0.00 57.00 55.19 2bdt n GLN 73 Cb 0.02 -4.26 -0.10 0.00 0.11 0.00 0.00 30.24 26.01 2bdt n GLN 73 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2bdt s ASN 74 N -2.81 4.86 0.43 1.08 0.01 0.17 -4.85 114.94 113.83 2bdt s ASN 74 Ca 0.00 -0.00 -0.22 0.00 -0.71 0.00 0.00 52.86 51.93 2bdt s ASN 74 Cb 0.00 -1.25 -0.10 0.00 0.41 0.00 0.00 41.25 40.31 2bdt s ASN 74 CO 0.00 0.34 0.97 -1.81 -1.51 0.00 0.00 177.10 175.09 2bdt s ASP 75 N -1.07 6.86 -0.12 -1.22 1.01 0.23 -3.65 116.67 118.72 2bdt s ASP 75 Ca 0.15 1.77 0.02 0.00 0.71 0.00 0.00 52.55 55.20 2bdt s ASP 75 Cb -0.11 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 2bdt s ASP 75 CO 0.04 -0.41 -0.19 -0.69 0.21 0.00 0.00 175.17 174.13 2bdt s VAL 76 N -2.05 2.45 -0.32 -1.27 1.01 -0.01 0.60 120.40 120.81 2bdt s VAL 76 Ca 0.61 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 2bdt s VAL 76 Cb -0.12 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2bdt s VAL 76 CO 0.16 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.16 2bdt s VAL 77 N 0.44 3.21 -0.20 2.92 1.01 0.73 -0.29 120.40 128.22 2bdt s VAL 77 Ca -0.14 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 2bdt s VAL 77 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2bdt s VAL 77 CO 0.06 -0.19 0.07 -0.22 0.00 0.00 0.00 175.10 174.82 2bdt s LEU 78 N 1.28 3.72 -0.28 3.92 2.96 0.11 -0.48 118.68 129.91 2bdt s LEU 78 Ca -0.03 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2bdt s LEU 78 Cb -0.20 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2bdt s LEU 78 CO -0.00 0.12 -0.02 -0.62 -1.32 0.00 0.00 176.35 174.50 2bdt s ASP 79 N 0.69 4.69 0.10 3.68 3.68 -0.02 -1.55 116.67 127.93 2bdt s ASP 79 Ca 0.03 -1.15 -0.20 0.00 2.13 0.00 0.00 52.55 53.36 2bdt s ASP 79 Cb -0.13 -1.69 0.07 0.00 -1.45 0.00 0.00 42.92 39.72 2bdt s ASP 79 CO 0.02 -0.21 0.96 0.00 0.13 0.00 0.00 175.17 176.06 2bdt n TYR 80 N 4.63 -0.94 -3.14 -5.34 -0.00 -1.21 -0.04 117.16 111.12 2bdt n TYR 80 Ca -0.14 -0.93 -0.40 0.00 -0.00 0.00 0.00 57.90 56.43 2bdt n TYR 80 Cb 0.44 0.44 -0.06 0.00 -0.00 0.00 0.00 39.34 40.17 2bdt n TYR 80 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2bdt s ILE 81 N -2.10 5.02 -0.09 2.97 -1.09 -1.26 -4.22 121.20 120.43 2bdt s ILE 81 Ca 0.22 1.11 -0.04 0.00 -2.23 0.00 0.00 60.65 59.71 2bdt s ILE 81 Cb -0.02 -3.92 0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2bdt s ILE 81 CO 0.03 0.08 0.19 0.00 -1.23 0.00 0.00 174.94 174.01 2bdt s ALA 82 N 2.20 -0.38 0.46 9.38 0.00 -1.26 -5.06 121.76 127.10 2bdt s ALA 82 Ca 0.26 0.80 0.08 0.00 0.00 0.00 0.00 51.96 53.10 2bdt s ALA 82 Cb -0.16 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2bdt s ALA 82 CO 0.09 -0.24 0.51 -0.06 0.00 0.00 0.00 175.76 176.06 2bdt s PHE 83 N 1.38 2.35 0.28 0.00 0.08 -1.26 -4.85 117.98 115.96 2bdt s PHE 83 Ca -0.08 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 2bdt s PHE 83 Cb -0.11 -2.20 0.62 0.00 -0.57 0.00 0.00 43.02 40.76 2bdt s PHE 83 CO -0.07 -0.44 1.64 -1.35 -0.10 0.00 0.00 175.22 174.89 2bdt h PRO 84 N 0.73 0.15 -0.13 0.24 0.11 -1.98 -0.75 132.00 130.37 2bdt h PRO 84 Ca -0.38 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.75 2bdt h PRO 84 Cb 1.28 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2bdt h PRO 84 CO 0.51 0.10 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.87 2bdt h ASP 85 N 0.15 -0.27 -0.43 -2.05 5.19 -1.99 0.18 116.42 117.20 2bdt h ASP 85 Ca 0.51 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.90 2bdt h ASP 85 Cb 1.00 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 2bdt h ASP 85 CO -0.69 -0.12 -0.04 -0.33 -3.12 0.00 0.00 179.24 174.95 2bdt h GLU 86 N -0.09 0.78 -0.49 3.56 3.07 -1.71 -1.47 114.58 118.23 2bdt h GLU 86 Ca 0.08 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 2bdt h GLU 86 Cb 0.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2bdt h GLU 86 CO -0.18 0.87 0.28 0.00 -1.40 0.00 0.00 179.01 178.58 2bdt h ALA 87 N 0.88 0.63 -0.22 3.43 0.00 -0.94 -0.93 119.26 122.12 2bdt h ALA 87 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bdt h ALA 87 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bdt h ALA 87 CO 0.03 0.14 0.14 1.49 0.00 0.00 0.00 179.25 181.05 2bdt h GLU 88 N 0.66 0.29 -0.01 0.00 4.57 -0.55 -1.13 114.58 118.41 2bdt h GLU 88 Ca 0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2bdt h GLU 88 Cb 0.02 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2bdt h GLU 88 CO -0.03 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 178.01 2bdt h ALA 89 N 1.07 0.01 -0.54 2.92 0.00 -0.98 -1.20 119.26 120.55 2bdt h ALA 89 Ca 0.08 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2bdt h ALA 89 Cb -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2bdt h ALA 89 CO -0.02 -0.49 0.28 1.25 0.00 0.00 0.00 179.25 180.27 2bdt h LEU 90 N 0.01 0.40 -0.61 0.00 5.85 -1.06 -2.33 115.31 117.57 2bdt h LEU 90 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2bdt h LEU 90 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2bdt h LEU 90 CO -0.00 0.27 0.38 0.00 -0.34 0.00 0.00 178.44 178.75 2bdt h ALA 91 N 1.29 0.80 -0.72 1.25 0.00 -0.91 -1.41 119.26 119.55 2bdt h ALA 91 Ca 0.24 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2bdt h ALA 91 Cb 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2bdt h ALA 91 CO -0.16 0.12 0.46 1.96 0.00 0.00 0.00 179.25 181.62 2bdt h GLN 92 N 0.74 0.87 0.23 0.00 4.20 -0.71 -0.09 115.11 120.36 2bdt h GLN 92 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2bdt h GLN 92 Cb 0.02 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2bdt h GLN 92 CO -0.10 0.58 -0.11 1.15 -0.67 0.00 0.00 178.83 179.67 2bdt h THR 93 N 0.90 0.82 -0.39 -0.54 2.02 -1.07 -2.18 112.91 112.46 2bdt h THR 93 Ca 0.29 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.76 2bdt h THR 93 Cb 0.00 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2bdt h THR 93 CO -0.10 0.15 0.18 -0.37 0.37 0.00 0.00 175.52 175.75 2bdt h VAL 94 N -0.71 0.95 0.00 3.16 -1.51 -1.20 -0.91 116.25 116.03 2bdt h VAL 94 Ca -0.03 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 2bdt h VAL 94 Cb 0.49 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2bdt h VAL 94 CO 0.05 0.07 -0.00 -0.61 -1.23 0.00 0.00 177.57 175.84 2bdt h GLN 95 N 0.36 0.00 0.00 5.19 4.15 -1.06 1.10 115.11 124.85 2bdt h GLN 95 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2bdt h GLN 95 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2bdt h GLN 95 CO -0.14 0.00 -0.40 0.00 -1.93 0.00 0.00 178.83 176.37 2bdt n ALA 96 N -2.50 2.73 0.19 3.38 0.00 -0.55 -4.02 120.51 119.73 2bdt n ALA 96 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.27 2bdt n ALA 96 Cb 0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 2bdt n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bdt n LYS 97 N -2.11 3.04 -3.89 0.00 5.02 -0.04 -5.03 118.16 115.16 2bdt n LYS 97 Ca 0.04 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 2bdt n LYS 97 Cb 0.43 -0.94 -0.13 0.00 -0.02 0.00 0.00 35.03 34.36 2bdt n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bdt s VAL 98 N -1.95 0.03 0.19 -0.18 1.01 0.36 -5.01 120.40 114.85 2bdt s VAL 98 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2bdt s VAL 98 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2bdt s VAL 98 CO 0.27 -0.12 0.29 -1.81 0.00 0.00 0.00 175.10 173.73 2bdt s ASP 99 N -0.36 6.19 -1.28 3.32 -0.00 -1.26 -4.31 116.67 118.96 2bdt s ASP 99 Ca -0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 52.55 52.58 2bdt s ASP 99 Cb -0.03 -1.81 0.00 0.00 -0.00 0.00 0.00 42.92 41.09 2bdt s ASP 99 CO -0.00 0.01 0.84 0.47 -0.00 0.00 0.00 175.17 176.48 2bdt n ASP 100 N -0.86 -1.81 -4.15 0.27 8.00 -1.26 -4.76 116.55 111.98 2bdt n ASP 100 Ca -0.08 -0.74 -0.34 0.00 0.71 0.00 0.00 54.79 54.34 2bdt n ASP 100 Cb 0.55 -4.47 -0.14 0.00 -0.02 0.00 0.00 41.12 37.05 2bdt n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bdt s VAL 101 N -3.53 2.79 -0.37 2.53 1.01 -1.26 -1.86 120.40 119.72 2bdt s VAL 101 Ca 0.05 -1.41 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 2bdt s VAL 101 Cb -0.02 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2bdt s VAL 101 CO 0.78 -0.06 0.68 -0.70 0.00 0.00 0.00 175.10 175.80 2bdt s GLU 102 N 1.23 3.67 -0.07 2.72 2.12 -0.80 -4.94 118.70 122.62 2bdt s GLU 102 Ca -0.06 0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.25 2bdt s GLU 102 Cb -0.19 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 2bdt s GLU 102 CO -0.02 -0.79 0.29 0.42 -0.54 0.00 0.00 175.26 174.61 2bdt s ILE 103 N 2.84 5.25 -0.07 -3.70 1.01 -1.26 -1.83 121.20 123.43 2bdt s ILE 103 Ca 0.26 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.52 2bdt s ILE 103 Cb -0.14 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 2bdt s ILE 103 CO 0.16 0.57 -0.23 -0.13 0.00 0.00 0.00 174.94 175.31 2bdt s ARG 104 N -0.83 2.57 -0.22 2.79 0.52 0.12 -3.75 118.95 120.15 2bdt s ARG 104 Ca 0.19 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 2bdt s ARG 104 Cb -0.14 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 2bdt s ARG 104 CO 0.08 0.26 -0.00 0.12 0.02 0.00 0.00 175.30 175.78 2bdt s PHE 105 N 0.12 3.02 -0.07 -0.53 5.99 -0.69 -0.45 117.98 125.37 2bdt s PHE 105 Ca -0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 56.93 56.20 2bdt s PHE 105 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 43.02 40.78 2bdt s PHE 105 CO 0.06 -0.37 -0.00 0.42 -0.00 0.00 0.00 175.22 175.32 2bdt s ILE 106 N 1.28 0.39 -0.41 3.12 1.01 -0.25 -4.70 121.20 121.64 2bdt s ILE 106 Ca 0.04 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 2bdt s ILE 106 Cb -0.15 -0.53 0.08 0.00 0.01 0.00 0.00 42.46 41.87 2bdt s ILE 106 CO 0.01 0.26 0.23 -0.63 0.00 0.00 0.00 174.94 174.80 2bdt s ILE 107 N 1.87 4.04 0.02 2.92 1.01 0.31 -0.39 121.20 130.99 2bdt s ILE 107 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 58.94 2bdt s ILE 107 Cb -0.12 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2bdt s ILE 107 CO -0.05 -0.48 1.15 -0.76 0.00 0.00 0.00 174.94 174.80 2bdt s LEU 108 N 1.39 4.35 0.07 2.97 1.43 -0.52 -0.66 118.68 127.70 2bdt s LEU 108 Ca 0.03 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2bdt s LEU 108 Cb -0.23 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 2bdt s LEU 108 CO 0.01 -0.45 -0.09 0.26 0.23 0.00 0.00 176.35 176.32 2bdt s TRP 109 N 1.34 0.85 0.00 0.29 0.52 -0.86 -4.31 118.94 116.76 2bdt s TRP 109 Ca 0.56 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.09 2bdt s TRP 109 Cb -0.26 -0.49 0.00 0.00 -1.15 0.00 0.00 33.47 31.57 2bdt s TRP 109 CO 0.27 -0.06 0.00 0.25 0.02 0.00 0.00 176.95 177.43 2bdt n THR 110 N 1.02 0.00 -3.62 2.01 -2.24 -1.26 0.16 114.28 110.35 2bdt n THR 110 Ca -0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2bdt n THR 110 Cb 0.56 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 2bdt n THR 110 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bdt s ASN 111 N 1.00 -0.31 0.21 3.42 3.04 -1.26 -4.31 114.94 116.72 2bdt s ASN 111 Ca 0.00 0.49 -0.09 0.00 0.04 0.00 0.00 52.86 53.29 2bdt s ASN 111 Cb 0.00 0.45 0.25 0.00 -1.54 0.00 0.00 41.25 40.42 2bdt s ASN 111 CO 0.00 -0.19 1.78 0.03 -3.04 0.00 0.00 177.10 175.68 2bdt h ARG 112 N 3.19 0.54 -0.02 0.43 3.08 -2.01 -1.67 114.38 117.93 2bdt h ARG 112 Ca -0.22 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 2bdt h ARG 112 Cb 1.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2bdt h ARG 112 CO 0.20 0.36 -0.60 0.93 -1.07 0.00 0.00 179.97 179.80 2bdt h GLU 113 N 0.56 0.06 0.04 0.04 5.08 -1.99 -3.01 114.58 115.35 2bdt h GLU 113 Ca 0.30 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2bdt h GLU 113 Cb 0.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2bdt h GLU 113 CO -0.23 0.63 -0.02 0.93 -1.00 0.00 0.00 179.01 179.33 2bdt h GLU 114 N 0.04 -0.05 0.00 2.33 4.39 -1.72 -1.67 114.58 117.89 2bdt h GLU 114 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bdt h GLU 114 Cb 1.06 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2bdt h GLU 114 CO 0.08 0.10 0.00 -0.07 -1.16 0.00 0.00 179.01 177.96 2bdt h LEU 115 N -0.19 0.00 -0.73 1.33 3.38 -1.38 0.19 115.31 117.90 2bdt h LEU 115 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2bdt h LEU 115 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2bdt h LEU 115 CO 0.01 0.00 -0.07 0.25 0.09 0.00 0.00 178.44 178.72 2bdt h LEU 116 N 0.00 0.89 0.03 1.67 5.85 -1.16 -3.23 115.31 119.35 2bdt h LEU 116 Ca 0.00 -0.26 -0.36 0.00 0.84 0.00 0.00 57.88 58.10 2bdt h LEU 116 Cb 0.09 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2bdt h LEU 116 CO 0.00 0.98 -2.15 0.54 -0.34 0.00 0.00 178.44 177.48 2bdt n ARG 117 N -4.17 0.69 -0.10 1.25 5.12 -0.42 -4.02 116.66 115.00 2bdt n ARG 117 Ca 0.02 0.18 0.26 0.00 -1.93 0.00 0.00 57.85 56.38 2bdt n ARG 117 Cb 0.36 -1.64 0.72 0.00 -1.16 0.00 0.00 32.46 30.74 2bdt n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bdt h ARG 118 N 0.02 0.00 -0.01 5.56 -0.00 -1.09 0.35 114.38 119.21 2bdt h ARG 118 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2bdt h ARG 118 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.02 2bdt h ARG 118 CO 0.03 0.00 -0.57 -0.40 0.00 0.00 0.00 179.97 179.03 2bdt n ASP 119 N -3.99 1.39 0.00 7.04 5.75 -1.22 -4.34 116.55 121.17 2bdt n ASP 119 Ca 0.15 -1.20 0.02 0.00 -0.01 0.00 0.00 54.79 53.76 2bdt n ASP 119 Cb 0.90 0.69 0.10 0.00 -1.03 0.00 0.00 41.12 41.79 2bdt n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bdt n ALA 120 N -0.63 1.76 -2.30 2.12 0.00 0.11 -1.85 120.51 119.73 2bdt n ALA 120 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2bdt n ALA 120 Cb 0.34 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.81 2bdt n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bdt n LEU 121 N -0.72 2.13 -0.09 0.00 4.32 -1.26 -4.80 117.00 116.59 2bdt n LEU 121 Ca 0.03 -3.11 -0.15 0.00 -0.02 0.00 0.00 56.01 52.75 2bdt n LEU 121 Cb 0.01 -0.06 -0.09 0.00 -1.62 0.00 0.00 43.42 41.66 2bdt n LEU 121 CO 0.02 1.09 -0.23 0.08 -1.22 0.00 0.00 177.39 177.13 2bdt h ARG 122 N 1.57 0.00 0.00 3.23 0.11 -1.66 -3.46 114.38 114.16 2bdt h ARG 122 Ca -0.06 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.92 2bdt h ARG 122 Cb 1.48 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.44 2bdt h ARG 122 CO 0.20 0.75 -0.06 1.17 0.10 0.00 0.00 179.97 182.13 2bdt n LYS 123 N -4.53 0.21 0.00 0.08 4.81 -1.26 -5.21 118.16 112.26 2bdt n LYS 123 Ca -0.20 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 2bdt n LYS 123 Cb 0.51 -0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.22 2bdt n LYS 123 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2bdt n LYS 124 N 1.21 0.00 0.00 1.64 3.00 -1.26 -5.21 118.16 117.55 2bdt n LYS 124 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2bdt n LYS 124 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.74 2bdt n LYS 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bdt n GLY 129 N 0.00 -0.39 0.40 3.14 0.00 -1.26 -4.79 105.19 102.29 2bdt n GLY 129 Ca 0.00 0.59 0.18 0.00 0.00 0.00 0.00 46.02 46.80 2bdt n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bdt h GLU 130 N 0.00 0.44 -0.25 1.61 4.39 -1.99 -0.03 114.58 118.75 2bdt h GLU 130 Ca 0.00 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.75 2bdt h GLU 130 Cb 0.00 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2bdt h GLU 130 CO 0.00 0.29 0.33 -0.09 -1.16 0.00 0.00 179.01 178.38 2bdt h ARG 131 N 0.45 0.00 0.00 2.33 1.12 -2.02 -0.00 114.38 116.26 2bdt h ARG 131 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.35 2bdt h ARG 131 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2bdt h ARG 131 CO -0.20 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.66 2bdt n LEU 133 N -1.43 0.23 -0.15 0.00 4.77 -0.01 -4.16 117.00 116.24 2bdt n LEU 133 Ca 0.02 0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2bdt n LEU 133 Cb 0.07 0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2bdt n LEU 133 CO 0.06 0.00 1.00 -0.33 -1.33 0.00 0.00 177.39 176.79 2bdt h GLU 134 N 0.00 0.43 0.00 3.23 5.08 -1.32 -1.17 114.58 120.83 2bdt h GLU 134 Ca -0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2bdt h GLU 134 Cb 1.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2bdt h GLU 134 CO 0.00 0.28 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.75 2bdt h LEU 135 N 0.44 0.00 0.56 1.33 3.38 -1.77 -3.07 115.31 116.18 2bdt h LEU 135 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2bdt h LEU 135 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2bdt h LEU 135 CO -0.15 0.48 -0.27 0.58 0.09 0.00 0.00 178.44 179.17 2bdt h VAL 136 N 0.00 0.43 0.00 1.22 2.07 -1.40 -2.69 116.25 115.89 2bdt h VAL 136 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2bdt h VAL 136 Cb 0.95 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2bdt h VAL 136 CO 0.06 0.01 0.00 1.05 0.02 0.00 0.00 177.57 178.72 2bdt h GLU 137 N -0.81 0.00 -0.08 1.57 4.11 -1.45 -2.86 114.58 115.06 2bdt h GLU 137 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 2bdt h GLU 137 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2bdt h GLU 137 CO 0.13 0.00 -0.08 0.93 0.07 0.00 0.00 179.01 180.06 2bdt h GLU 138 N 0.00 0.19 -0.93 1.06 5.08 -1.38 -1.94 114.58 116.65 2bdt h GLU 138 Ca 0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bdt h GLU 138 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2bdt h GLU 138 CO 0.00 0.62 0.57 0.74 -1.00 0.00 0.00 179.01 179.94 2bdt h PHE 139 N -0.23 1.22 0.34 4.33 0.04 -1.28 -2.07 116.94 119.29 2bdt h PHE 139 Ca 0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2bdt h PHE 139 Cb 0.58 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2bdt h PHE 139 CO 0.09 0.80 -0.16 0.93 -0.60 0.00 0.00 178.31 179.37 2bdt h GLU 140 N 1.28 -0.44 0.00 1.51 5.08 -1.52 -3.06 114.58 117.43 2bdt h GLU 140 Ca 0.34 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2bdt h GLU 140 Cb -0.07 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bdt h GLU 140 CO -0.07 -0.16 -0.01 0.66 -1.00 0.00 0.00 179.01 178.44 2bdt h SER 141 N -0.69 0.00 0.08 1.42 4.64 -1.25 -1.66 113.55 116.08 2bdt h SER 141 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2bdt h SER 141 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2bdt h SER 141 CO 0.08 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 2bdt n LYS 142 N -3.71 0.38 -3.80 4.77 4.76 -0.79 -4.87 118.16 114.90 2bdt n LYS 142 Ca -0.03 0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 2bdt n LYS 142 Cb 0.09 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 2bdt n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bdt n GLY 143 N -0.09 -0.61 3.81 0.72 0.00 -0.62 -4.95 105.19 103.46 2bdt n GLY 143 Ca 0.10 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 2bdt n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bdt s ILE 144 N -3.69 4.51 0.56 -0.61 1.01 -1.26 -5.03 121.20 116.69 2bdt s ILE 144 Ca 0.24 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 62.05 2bdt s ILE 144 Cb -0.09 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2bdt s ILE 144 CO 0.87 0.19 1.09 -0.67 0.00 0.00 0.00 174.94 176.42 2bdt n ASP 145 N 0.68 1.44 0.00 3.58 -0.08 -1.26 -4.89 116.55 116.02 2bdt n ASP 145 Ca -0.02 0.90 0.12 0.00 -1.51 0.00 0.00 54.79 54.28 2bdt n ASP 145 Cb 0.51 -1.44 0.55 0.00 2.34 0.00 0.00 41.12 43.08 2bdt n ASP 145 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2bdt n GLU 146 N -0.83 0.04 0.19 -0.67 4.07 -1.26 -3.40 120.64 118.77 2bdt n GLU 146 Ca 0.12 0.06 0.13 0.00 -0.06 0.00 0.00 57.16 57.41 2bdt n GLU 146 Cb 0.45 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 30.66 2bdt n GLU 146 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 2bdt h ARG 147 N 0.00 0.00 0.00 5.31 0.11 -1.90 -3.18 114.38 114.72 2bdt h ARG 147 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bdt h ARG 147 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2bdt h ARG 147 CO 0.00 0.00 -0.76 1.88 0.10 0.00 0.00 179.97 181.19 2bdt h TYR 148 N 0.00 0.00 -3.85 4.08 0.05 -1.79 -3.38 116.97 112.08 2bdt h TYR 148 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 2bdt h TYR 148 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 2bdt h TYR 148 CO 0.00 0.00 0.36 -0.06 -1.05 0.00 0.00 178.16 177.41 2bdt s PHE 149 N -3.29 3.72 -0.38 4.88 0.40 -1.20 -0.53 117.98 121.59 2bdt s PHE 149 Ca 0.02 1.80 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 2bdt s PHE 149 Cb 0.10 -2.98 0.13 0.00 0.51 0.00 0.00 43.02 40.78 2bdt s PHE 149 CO 0.75 0.15 0.20 -0.47 0.70 0.00 0.00 175.22 176.55 2bdt s TYR 150 N -1.48 1.43 -0.23 0.36 6.04 0.17 -4.88 117.35 118.77 2bdt s TYR 150 Ca 0.48 -1.97 -0.29 0.00 0.04 0.00 0.00 57.07 55.33 2bdt s TYR 150 Cb -0.22 -1.49 -0.00 0.00 -1.04 0.00 0.00 41.96 39.21 2bdt s TYR 150 CO 0.27 -0.82 1.25 1.21 -1.54 0.00 0.00 175.55 175.93 2bdt s ASN 151 N 0.89 6.85 -0.26 4.32 3.84 -1.25 -2.03 114.94 127.29 2bdt s ASN 151 Ca 0.16 1.45 0.10 0.00 0.21 0.00 0.00 52.86 54.78 2bdt s ASN 151 Cb -0.22 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.41 2bdt s ASN 151 CO -0.05 -0.89 1.38 0.35 -2.79 0.00 0.00 177.10 175.10 2bdt n THR 152 N 5.72 2.42 0.22 -5.21 -2.24 0.12 -4.63 114.28 110.68 2bdt n THR 152 Ca 0.14 -2.90 0.10 0.00 -2.27 0.00 0.00 64.05 59.12 2bdt n THR 152 Cb 0.46 -0.29 0.39 0.00 -2.10 0.00 0.00 70.33 68.79 2bdt n THR 152 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2bdt h SER 153 N 1.00 0.00 -0.02 3.42 4.64 -1.75 -3.02 113.55 117.82 2bdt h SER 153 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2bdt h SER 153 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2bdt h SER 153 CO 0.25 0.21 -0.29 1.41 -0.87 0.00 0.00 176.83 177.54 2bdt n HIS 154 N -3.30 0.00 -2.51 4.77 8.25 -1.26 -4.98 115.22 116.20 2bdt n HIS 154 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 2bdt n HIS 154 Cb 0.47 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.62 2bdt n HIS 154 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bdt s LEU 155 N -2.24 3.20 -0.04 2.41 2.01 -1.14 -5.10 118.68 117.78 2bdt s LEU 155 Ca 0.21 0.37 0.02 0.00 0.01 0.00 0.00 54.13 54.74 2bdt s LEU 155 Cb 0.18 -3.17 -0.03 0.00 0.01 0.00 0.00 46.19 43.18 2bdt s LEU 155 CO 0.45 -1.17 -0.07 -1.10 1.01 0.00 0.00 176.35 175.48 2bdt s GLN 156 N -4.93 2.68 0.62 1.70 -1.52 -1.26 -5.00 119.66 111.94 2bdt s GLN 156 Ca 0.56 -0.61 0.38 0.00 -1.95 0.00 0.00 55.36 53.73 2bdt s GLN 156 Cb -0.10 -2.56 2.02 0.00 -0.22 0.00 0.00 33.01 32.14 2bdt s GLN 156 CO 0.42 0.64 2.24 -1.00 -0.25 0.00 0.00 175.29 177.34 2bdt h PRO 157 N 4.94 0.00 0.00 2.91 0.13 -1.99 -0.38 132.00 137.62 2bdt h PRO 157 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2bdt h PRO 157 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2bdt h PRO 157 CO 0.53 0.02 0.00 -2.37 -0.23 0.00 0.00 178.00 175.95 2bdt n THR 158 N -3.27 0.00 -0.65 1.56 5.66 -1.26 -1.93 114.28 114.39 2bdt n THR 158 Ca -0.02 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.04 2bdt n THR 158 Cb 0.14 -0.49 0.11 0.00 -1.55 0.00 0.00 70.33 68.54 2bdt n THR 158 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2bdt n ASN 159 N -0.87 2.46 -0.29 1.09 5.03 -0.15 -4.78 115.26 117.74 2bdt n ASN 159 Ca 0.14 -2.65 0.12 0.00 0.87 0.00 0.00 54.58 53.05 2bdt n ASN 159 Cb 0.06 -0.29 0.28 0.00 -1.02 0.00 0.00 39.78 38.81 2bdt n ASN 159 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2bdt h LEU 160 N 0.37 0.18 -1.55 3.41 5.85 -1.50 0.62 115.31 122.69 2bdt h LEU 160 Ca 0.00 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2bdt h LEU 160 Cb 0.87 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2bdt h LEU 160 CO 0.03 -0.05 -0.24 0.78 -0.34 0.00 0.00 178.44 178.62 2bdt h ASN 161 N 0.33 0.00 -0.10 1.25 -0.26 -1.86 -2.16 115.58 112.77 2bdt h ASN 161 Ca 0.53 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 56.12 2bdt h ASN 161 Cb 1.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.27 2bdt h ASN 161 CO -0.56 0.24 -0.51 0.44 -1.06 0.00 0.00 177.43 175.98 2bdt h ASP 162 N 0.00 0.63 -0.01 5.81 3.32 -1.27 -2.13 116.42 122.77 2bdt h ASP 162 Ca -0.00 -0.64 0.03 0.00 0.02 0.00 0.00 57.03 56.43 2bdt h ASP 162 Cb 0.45 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2bdt h ASP 162 CO 0.03 1.17 -0.16 0.40 -1.72 0.00 0.00 179.24 178.96 2bdt h ILE 163 N 0.13 0.60 0.00 0.35 2.04 -1.13 0.12 117.51 119.62 2bdt h ILE 163 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2bdt h ILE 163 Cb 1.16 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2bdt h ILE 163 CO 0.11 0.00 -0.12 -0.37 0.00 0.00 0.00 178.15 177.77 2bdt h VAL 164 N -0.27 0.43 -0.06 1.67 -1.51 -1.46 -1.68 116.25 113.36 2bdt h VAL 164 Ca 0.06 -0.64 -0.20 0.00 -1.23 0.00 0.00 66.70 64.69 2bdt h VAL 164 Cb 0.34 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2bdt h VAL 164 CO -0.17 0.12 -0.80 0.50 -1.23 0.00 0.00 177.57 175.99 2bdt h LYS 165 N 0.00 0.44 0.46 5.19 1.63 -0.55 -2.91 116.57 120.84 2bdt h LYS 165 Ca -0.00 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 2bdt h LYS 165 Cb 0.44 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2bdt h LYS 165 CO 0.02 1.04 -0.22 -0.97 -3.45 0.00 0.00 179.45 175.86 2bdt h ASN 166 N 0.29 -0.53 0.07 4.20 -1.24 0.07 -3.20 115.58 115.25 2bdt h ASN 166 Ca -0.05 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2bdt h ASN 166 Cb 1.39 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.58 2bdt h ASN 166 CO 0.14 -0.11 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 2bdt n LEU 167 N -5.17 0.00 0.03 0.34 -0.00 -0.80 0.92 117.00 112.32 2bdt n LEU 167 Ca -0.08 0.44 -0.07 0.00 -0.00 0.00 0.00 56.01 56.30 2bdt n LEU 167 Cb 0.25 -0.44 -0.12 0.00 -0.00 0.00 0.00 43.42 43.10 2bdt n LEU 167 CO 0.19 -0.41 -0.07 0.50 -0.00 0.00 0.00 177.39 177.60 2bdt h LYS 168 N 0.00 0.00 0.00 1.47 3.64 -1.50 -3.39 116.57 116.79 2bdt h LYS 168 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2bdt h LYS 168 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2bdt h LYS 168 CO 0.00 0.83 -0.99 0.25 -2.27 0.00 0.00 179.45 177.27 2bdt n THR 169 N -3.25 0.00 -1.67 1.00 -2.24 -0.42 -5.02 114.28 102.68 2bdt n THR 169 Ca -0.05 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.25 2bdt n THR 169 Cb 0.97 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 2bdt n THR 169 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bdt n ASN 170 N -1.58 3.18 0.20 3.42 2.85 0.26 -4.86 115.26 118.73 2bdt n ASN 170 Ca 0.00 1.03 0.14 0.00 -0.11 0.00 0.00 54.58 55.64 2bdt n ASN 170 Cb 0.10 -1.38 0.46 0.00 1.24 0.00 0.00 39.78 40.21 2bdt n ASN 170 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2bdt h PRO 171 N 7.55 0.00 -0.21 1.20 0.13 -1.95 -3.27 132.00 135.45 2bdt h PRO 171 Ca -0.47 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 2bdt h PRO 171 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2bdt h PRO 171 CO 0.92 0.00 0.15 0.07 -0.23 0.00 0.00 178.00 178.91 2bdt h ARG 172 N 0.00 0.00 -0.01 0.86 0.11 -1.89 0.18 114.38 113.64 2bdt h ARG 172 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bdt h ARG 172 Cb 0.64 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2bdt h ARG 172 CO 0.00 0.00 -0.24 1.19 0.10 0.00 0.00 179.97 181.02 2bdt n PHE 173 N -4.48 0.00 0.00 4.08 3.01 -1.23 -4.39 117.46 114.45 2bdt n PHE 173 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2bdt n PHE 173 Cb 0.29 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2bdt n PHE 173 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 2bdt n ILE 174 N -0.45 0.00 -3.26 4.37 3.06 0.05 -1.70 119.36 121.43 2bdt n ILE 174 Ca 0.13 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.25 2bdt n ILE 174 Cb 0.37 -0.57 0.05 0.00 0.54 0.00 0.00 39.64 40.02 2bdt n ILE 174 CO 0.00 0.00 0.00 0.33 -2.50 0.00 0.00 176.55 174.38 2bdt n PHE 175 N -0.41 -2.54 0.00 9.51 -0.00 -1.25 -4.68 117.46 118.10 2bdt n PHE 175 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 57.45 58.34 2bdt n PHE 175 Cb 0.00 -4.01 0.00 0.00 -0.00 0.00 0.00 39.48 35.47 2bdt n PHE 175 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76