#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bec n PRO 12 N 0.00 0.76 0.00 0.38 -0.04 -1.26 -4.93 135.00 129.91 2bec n PRO 12 Ca 0.00 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2bec n PRO 12 Cb 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 2bec n PRO 12 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bec n ASP 13 N -2.87 0.30 -2.69 3.54 -0.08 -1.26 -4.56 116.55 108.93 2bec n ASP 13 Ca 0.04 -1.00 -0.03 0.00 -1.51 0.00 0.00 54.79 52.29 2bec n ASP 13 Cb 0.16 -0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 2bec n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bec n GLY 14 N 0.15 1.58 0.92 0.27 0.00 -1.26 -3.56 105.19 103.29 2bec n GLY 14 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2bec n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bec n ASP 15 N 3.73 0.95 0.09 1.61 8.00 -1.26 -4.19 116.55 125.48 2bec n ASP 15 Ca 0.08 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.83 2bec n ASP 15 Cb 0.08 -0.32 0.45 0.00 -0.02 0.00 0.00 41.12 41.31 2bec n ASP 15 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2bec n SER 16 N -3.37 0.66 -0.02 -2.24 2.88 -1.23 -2.57 113.62 107.73 2bec n SER 16 Ca -0.01 0.58 -0.11 0.00 -1.33 0.00 0.00 58.87 58.00 2bec n SER 16 Cb 0.05 -0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 2bec n SER 16 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2bec h ILE 17 N 0.00 1.22 0.00 2.46 1.08 -1.82 -1.52 117.51 118.93 2bec h ILE 17 Ca 0.00 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 2bec h ILE 17 Cb 0.63 2.19 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 2bec h ILE 17 CO 0.00 0.37 0.00 -1.14 -0.69 0.00 0.00 178.15 176.69 2bec n ARG 18 N -4.76 0.13 -0.01 2.37 0.63 -1.18 -1.58 116.66 112.25 2bec n ARG 18 Ca -0.08 0.60 -0.20 0.00 -0.92 0.00 0.00 57.85 57.26 2bec n ARG 18 Cb 0.32 -1.90 -0.14 0.00 0.45 0.00 0.00 32.46 31.20 2bec n ARG 18 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2bec h ARG 19 N 0.00 0.19 0.00 -0.14 2.43 -1.30 -2.56 114.38 113.00 2bec h ARG 19 Ca 0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2bec h ARG 19 Cb 0.03 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2bec h ARG 19 CO 0.00 1.15 0.00 1.05 -1.51 0.00 0.00 179.97 180.66 2bec h GLU 20 N -0.53 0.00 0.00 0.20 4.11 -0.42 -3.32 114.58 114.62 2bec h GLU 20 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2bec h GLU 20 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2bec h GLU 20 CO 0.04 0.00 -0.68 0.25 0.07 0.00 0.00 179.01 178.68 2bec n THR 21 N -2.97 0.00 -1.27 -1.06 -2.24 -0.62 -4.58 114.28 101.55 2bec n THR 21 Ca 0.04 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2bec n THR 21 Cb 0.51 0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 2bec n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bec n GLY 22 N 1.36 1.03 3.76 3.38 0.00 -0.97 -4.88 105.19 108.87 2bec n GLY 22 Ca 0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2bec n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bec s PHE 23 N -2.11 3.51 0.51 1.61 0.08 -1.24 -5.02 117.98 115.32 2bec s PHE 23 Ca 0.00 1.69 -0.19 0.00 0.12 0.00 0.00 56.93 58.55 2bec s PHE 23 Cb 0.00 -3.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.11 2bec s PHE 23 CO 0.00 -0.58 1.03 -1.54 -0.10 0.00 0.00 175.22 174.03 2bec s SER 24 N -1.00 6.30 0.00 1.36 1.04 -1.26 -4.78 113.70 115.36 2bec s SER 24 Ca 0.47 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.73 2bec s SER 24 Cb -0.30 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2bec s SER 24 CO 0.39 -0.81 0.87 1.67 0.98 0.00 0.00 173.24 176.34 2bec n GLN 25 N -1.26 0.00 0.20 4.02 -0.06 -1.26 0.39 117.38 119.41 2bec n GLN 25 Ca 0.09 0.87 0.17 0.00 -2.00 0.00 0.00 57.00 56.13 2bec n GLN 25 Cb 0.53 -1.33 0.72 0.00 -4.06 0.00 0.00 30.24 26.10 2bec n GLN 25 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bec h ALA 26 N -1.04 1.81 0.31 1.69 0.00 -1.99 -1.76 119.26 118.28 2bec h ALA 26 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bec h ALA 26 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bec h ALA 26 CO 0.00 -0.59 -0.15 0.77 0.00 0.00 0.00 179.25 179.28 2bec h SER 27 N 0.00 -0.35 0.06 0.00 0.02 -0.42 -1.60 113.55 111.26 2bec h SER 27 Ca 0.11 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2bec h SER 27 Cb 1.04 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2bec h SER 27 CO -0.00 0.03 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.61 2bec h LEU 28 N -0.80 0.00 0.16 5.07 4.07 -0.87 -1.33 115.31 121.61 2bec h LEU 28 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2bec h LEU 28 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2bec h LEU 28 CO 0.07 0.04 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.32 2bec h LEU 29 N 0.00 -0.18 -2.47 1.67 3.38 -1.30 1.31 115.31 117.71 2bec h LEU 29 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2bec h LEU 29 Cb 0.08 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bec h LEU 29 CO 0.01 0.10 -0.02 -0.09 0.09 0.00 0.00 178.44 178.53 2bec h ARG 30 N -0.46 0.00 0.00 1.13 2.43 -0.56 0.57 114.38 117.48 2bec h ARG 30 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bec h ARG 30 Cb 0.36 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2bec h ARG 30 CO 0.04 0.02 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.40 2bec h LEU 31 N 0.00 0.00 -0.91 3.80 3.38 -0.49 -2.20 115.31 118.89 2bec h LEU 31 Ca -0.00 -0.23 0.17 0.00 0.09 0.00 0.00 57.88 57.91 2bec h LEU 31 Cb 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 2bec h LEU 31 CO 0.00 0.64 0.50 -0.74 0.09 0.00 0.00 178.44 178.93 2bec h HIS 32 N -1.00 0.88 0.12 1.13 2.76 0.19 1.81 115.15 121.04 2bec h HIS 32 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2bec h HIS 32 Cb 0.27 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.98 2bec h HIS 32 CO 0.05 0.19 -0.06 1.25 -1.30 0.00 0.00 177.93 178.06 2bec h HIS 33 N 0.67 -0.15 -0.89 5.26 6.17 -1.01 0.64 115.15 125.84 2bec h HIS 33 Ca 0.51 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.59 2bec h HIS 33 Cb 0.77 0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.71 2bec h HIS 33 CO -0.06 -0.08 0.54 -0.09 0.71 0.00 0.00 177.93 178.95 2bec h ARG 34 N -0.18 1.21 -0.32 5.26 9.65 0.26 -1.46 114.38 128.80 2bec h ARG 34 Ca -0.02 -0.11 -0.11 0.00 -1.10 0.00 0.00 59.98 58.65 2bec h ARG 34 Cb 0.14 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2bec h ARG 34 CO 0.03 0.84 -0.25 0.35 2.80 0.00 0.00 179.97 183.74 2bec h PHE 35 N 1.22 0.73 -0.45 2.20 3.04 0.29 -2.32 116.94 121.65 2bec h PHE 35 Ca 0.32 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2bec h PHE 35 Cb -0.06 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2bec h PHE 35 CO 0.00 0.83 0.29 -0.09 -2.02 0.00 0.00 178.31 177.32 2bec h ARG 36 N 0.56 0.61 -0.14 1.11 2.43 0.10 -1.48 114.38 117.56 2bec h ARG 36 Ca 0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2bec h ARG 36 Cb 0.72 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2bec h ARG 36 CO 0.06 0.42 -0.11 0.00 -1.51 0.00 0.00 179.97 178.83 2bec h ALA 37 N 1.15 1.56 -0.00 2.80 0.00 -1.01 -2.50 119.26 121.26 2bec h ALA 37 Ca 0.17 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2bec h ALA 37 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2bec h ALA 37 CO -0.03 0.32 -0.77 -0.07 0.00 0.00 0.00 179.25 178.70 2bec h LEU 38 N 0.21 0.01 -9.13 0.00 3.38 -0.87 -3.43 115.31 105.49 2bec h LEU 38 Ca 0.05 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.44 2bec h LEU 38 Cb 0.33 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2bec h LEU 38 CO 0.02 0.78 1.01 -0.62 0.09 0.00 0.00 178.44 179.71 2bec s ASP 39 N -6.80 6.72 0.00 -0.43 3.68 -0.61 -4.79 116.67 114.44 2bec s ASP 39 Ca -0.01 1.77 0.00 0.00 2.13 0.00 0.00 52.55 56.44 2bec s ASP 39 Cb 0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 2bec s ASP 39 CO 0.79 -0.94 0.00 -1.14 0.13 0.00 0.00 175.17 174.00 2bec n ARG 40 N 7.05 0.00 0.32 4.34 3.00 -1.26 -4.44 116.66 125.67 2bec n ARG 40 Ca 0.16 0.20 0.21 0.00 -0.00 0.00 0.00 57.85 58.42 2bec n ARG 40 Cb 0.45 -0.65 1.05 0.00 0.00 0.00 0.00 32.46 33.30 2bec n ARG 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2bec h ASN 41 N 0.00 0.00 -4.41 6.15 4.21 -1.94 -3.47 115.58 116.11 2bec h ASN 41 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2bec h ASN 41 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2bec h ASN 41 CO 0.00 0.00 -0.06 0.29 -1.29 0.00 0.00 177.43 176.38 2bec n LYS 42 N -3.11 -0.91 -0.05 0.81 4.76 -1.26 -4.99 118.16 113.40 2bec n LYS 42 Ca -0.02 1.17 0.03 0.00 -2.87 0.00 0.00 58.31 56.62 2bec n LYS 42 Cb 0.15 -4.06 0.04 0.00 -1.84 0.00 0.00 35.03 29.32 2bec n LYS 42 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2bec n LYS 43 N -1.26 1.97 -2.68 1.97 3.00 -1.26 -4.99 118.16 114.91 2bec n LYS 43 Ca 0.01 -1.68 -0.08 0.00 -0.00 0.00 0.00 58.31 56.56 2bec n LYS 43 Cb 0.46 -1.06 0.03 0.00 0.00 0.00 0.00 35.03 34.46 2bec n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bec n GLY 44 N -0.70 0.20 3.63 3.14 0.00 -1.26 -5.03 105.19 105.17 2bec n GLY 44 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2bec n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bec s TYR 45 N -3.14 -0.12 0.13 1.61 1.13 -1.26 -4.59 117.35 111.11 2bec s TYR 45 Ca 0.07 -0.02 0.07 0.00 -1.41 0.00 0.00 57.07 55.78 2bec s TYR 45 Cb -0.03 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 2bec s TYR 45 CO 0.29 -0.43 -0.15 -0.51 -2.51 0.00 0.00 175.55 172.24 2bec s LEU 46 N -2.72 2.41 0.26 -3.49 1.02 -1.08 -4.74 118.68 110.33 2bec s LEU 46 Ca 0.11 -0.82 0.07 0.00 0.02 0.00 0.00 54.13 53.51 2bec s LEU 46 Cb 0.01 -0.62 -0.05 0.00 0.02 0.00 0.00 46.19 45.55 2bec s LEU 46 CO -0.03 -0.12 -0.08 -0.44 0.02 0.00 0.00 176.35 175.71 2bec s SER 47 N -2.50 2.64 0.32 2.29 0.01 -1.26 -1.05 113.70 114.15 2bec s SER 47 Ca 0.10 -1.15 0.10 0.00 1.31 0.00 0.00 55.95 56.32 2bec s SER 47 Cb -0.05 -0.14 0.91 0.00 0.21 0.00 0.00 66.02 66.95 2bec s SER 47 CO 0.04 -0.31 1.73 0.03 0.41 0.00 0.00 173.24 175.13 2bec h ARG 48 N 2.37 0.54 -0.15 12.44 -0.00 -1.97 0.23 114.38 127.83 2bec h ARG 48 Ca -0.39 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.09 2bec h ARG 48 Cb 1.23 -0.12 -0.07 0.00 0.00 0.00 0.00 29.97 31.01 2bec h ARG 48 CO 0.66 0.36 -0.53 0.52 0.00 0.00 0.00 179.97 180.98 2bec h MET 49 N 0.55 -0.54 -0.44 0.04 2.86 -1.94 0.18 114.93 115.65 2bec h MET 49 Ca 0.65 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.39 2bec h MET 49 Cb 1.28 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 33.01 2bec h MET 49 CO -0.48 -0.36 0.14 -0.44 1.06 0.00 0.00 176.91 176.83 2bec h ASP 50 N -0.56 0.12 0.77 1.22 3.32 -0.90 -2.74 116.42 117.66 2bec h ASP 50 Ca 0.04 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2bec h ASP 50 Cb 0.67 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2bec h ASP 50 CO -0.44 0.10 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.61 2bec h LEU 51 N 0.30 0.00 0.00 1.55 3.38 -0.94 -2.91 115.31 116.68 2bec h LEU 51 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2bec h LEU 51 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2bec h LEU 51 CO -0.23 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2bec n GLN 52 N -3.64 0.05 0.25 1.13 6.02 0.61 -2.23 117.38 119.57 2bec n GLN 52 Ca -0.01 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 2bec n GLN 52 Cb 0.57 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.88 2bec n GLN 52 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2bec h GLN 53 N 0.00 0.00 -5.74 -1.09 1.08 -1.44 -3.41 115.11 104.51 2bec h GLN 53 Ca 0.00 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.79 2bec h GLN 53 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2bec h GLN 53 CO 0.00 0.11 1.27 0.42 -0.95 0.00 0.00 178.83 179.68 2bec s ILE 54 N -3.64 3.18 0.15 2.54 -1.09 -0.94 -4.84 121.20 116.56 2bec s ILE 54 Ca 0.01 0.04 -0.27 0.00 -2.23 0.00 0.00 60.65 58.20 2bec s ILE 54 Cb 0.09 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.49 2bec s ILE 54 CO 0.60 -0.45 1.58 1.23 -1.23 0.00 0.00 174.94 176.67 2bec h GLY 55 N 18.56 -0.55 0.10 6.18 0.00 -1.90 -2.20 103.07 123.26 2bec h GLY 55 Ca -0.19 0.50 0.19 0.00 0.00 0.00 0.00 47.33 47.83 2bec h GLY 55 CO 1.17 -0.20 0.55 0.00 0.00 0.00 0.00 176.54 178.06 2bec h ALA 56 N 0.37 1.57 -0.74 3.60 0.00 -1.96 -1.31 119.26 120.79 2bec h ALA 56 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2bec h ALA 56 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2bec h ALA 56 CO -0.48 -0.10 0.30 1.25 0.00 0.00 0.00 179.25 180.22 2bec h LEU 57 N 0.69 1.01 -0.54 0.00 5.85 -1.79 -2.90 115.31 117.63 2bec h LEU 57 Ca 0.56 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 59.21 2bec h LEU 57 Cb 0.88 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2bec h LEU 57 CO -0.40 0.90 0.08 0.00 -0.34 0.00 0.00 178.44 178.69 2bec h ALA 58 N 1.15 0.60 0.00 1.25 0.00 -0.94 0.14 119.26 121.46 2bec h ALA 58 Ca 0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2bec h ALA 58 Cb 0.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2bec h ALA 58 CO -0.02 -0.33 0.00 1.55 0.00 0.00 0.00 179.25 180.45 2bec n VAL 59 N -5.15 0.70 -2.19 0.00 3.14 -1.15 -4.71 118.33 108.98 2bec n VAL 59 Ca 0.07 0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 61.12 2bec n VAL 59 Cb 0.29 -0.90 -0.02 0.00 -1.06 0.00 0.00 33.84 32.14 2bec n VAL 59 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2bec s ASN 60 N -3.75 6.74 0.52 6.55 3.04 0.49 -4.87 114.94 123.67 2bec s ASN 60 Ca 0.08 1.94 0.21 0.00 0.04 0.00 0.00 52.86 55.13 2bec s ASN 60 Cb 0.11 -2.54 1.13 0.00 -1.54 0.00 0.00 41.25 38.42 2bec s ASN 60 CO 0.42 -0.90 1.59 1.55 -3.04 0.00 0.00 177.10 176.72 2bec h PRO 61 N 9.15 0.00 -0.01 0.43 0.13 -1.84 0.22 132.00 140.08 2bec h PRO 61 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2bec h PRO 61 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2bec h PRO 61 CO 0.97 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 180.00 2bec n LEU 62 N -2.50 1.59 -0.32 1.56 4.77 -1.26 -4.75 117.00 116.08 2bec n LEU 62 Ca -0.01 -0.98 0.04 0.00 -0.03 0.00 0.00 56.01 55.02 2bec n LEU 62 Cb 0.40 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.60 2bec n LEU 62 CO 0.09 0.32 0.67 1.23 -1.33 0.00 0.00 177.39 178.37 2bec h GLY 63 N 1.52 0.60 1.04 -0.72 0.00 -0.69 0.32 103.07 105.14 2bec h GLY 63 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 2bec h GLY 63 CO 0.00 -0.33 0.27 -0.55 0.00 0.00 0.00 176.54 175.93 2bec h ASP 64 N -0.00 1.04 -0.24 0.19 3.32 -1.84 0.54 116.42 119.42 2bec h ASP 64 Ca 0.43 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 2bec h ASP 64 Cb 0.66 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2bec h ASP 64 CO -0.93 0.94 -0.33 0.03 -1.72 0.00 0.00 179.24 177.22 2bec h ARG 65 N 1.07 0.76 -0.21 3.56 3.08 -1.38 0.47 114.38 121.74 2bec h ARG 65 Ca 0.24 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2bec h ARG 65 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2bec h ARG 65 CO -0.02 0.99 0.02 0.82 -1.07 0.00 0.00 179.97 180.71 2bec h ILE 66 N 0.64 1.24 0.13 2.04 2.04 -0.04 -1.82 117.51 121.74 2bec h ILE 66 Ca 0.07 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2bec h ILE 66 Cb 0.87 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2bec h ILE 66 CO 0.08 0.24 -0.41 0.40 0.00 0.00 0.00 178.15 178.46 2bec h ILE 67 N 0.13 0.00 -0.58 -0.67 1.08 0.38 -1.83 117.51 116.03 2bec h ILE 67 Ca 0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.70 2bec h ILE 67 Cb 0.34 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 2bec h ILE 67 CO 0.01 0.00 0.48 -0.33 -0.69 0.00 0.00 178.15 177.62 2bec h GLU 68 N -0.62 0.00 0.00 2.37 4.39 -0.87 0.72 114.58 120.57 2bec h GLU 68 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2bec h GLU 68 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2bec h GLU 68 CO -0.20 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.52 2bec n SER 69 N -4.06 0.59 -0.36 1.42 3.41 -0.69 -0.82 113.62 113.12 2bec n SER 69 Ca 0.11 0.72 0.10 0.00 -0.26 0.00 0.00 58.87 59.54 2bec n SER 69 Cb 0.71 -0.82 0.45 0.00 -0.26 0.00 0.00 64.21 64.29 2bec n SER 69 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2bec n PHE 70 N -2.23 0.13 -3.87 7.33 3.01 0.25 -4.71 117.46 117.36 2bec n PHE 70 Ca -0.00 -0.06 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 2bec n PHE 70 Cb 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.42 2bec n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2bec s PHE 71 N -1.87 1.76 0.20 1.38 0.40 0.00 -4.66 117.98 115.19 2bec s PHE 71 Ca 0.31 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.37 2bec s PHE 71 Cb 0.16 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.41 2bec s PHE 71 CO 0.25 -0.66 0.11 -2.30 0.70 0.00 0.00 175.22 173.32 2bec n PRO 72 N 4.85 -1.74 0.00 0.24 -0.02 -1.26 -4.71 135.00 132.36 2bec n PRO 72 Ca -0.11 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 2bec n PRO 72 Cb 0.46 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 2bec n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bec n ASP 73 N -2.82 0.00 0.00 2.55 2.03 -1.26 -3.18 116.55 113.86 2bec n ASP 73 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2bec n ASP 73 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 2bec n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bec n GLY 74 N -0.76 0.85 3.25 0.27 0.00 -1.26 -5.12 105.19 102.42 2bec n GLY 74 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2bec n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bec n SER 75 N -0.02 -3.35 -0.22 1.61 2.88 -1.19 -4.96 113.62 108.37 2bec n SER 75 Ca 0.00 0.21 0.02 0.00 -1.33 0.00 0.00 58.87 57.76 2bec n SER 75 Cb 0.18 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.66 2bec n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bec n GLN 76 N -0.24 0.58 -3.78 -1.46 6.02 -1.26 -4.75 117.38 112.49 2bec n GLN 76 Ca 0.03 -1.17 -0.13 0.00 -0.01 0.00 0.00 57.00 55.72 2bec n GLN 76 Cb 0.57 -0.73 -0.10 0.00 1.02 0.00 0.00 30.24 31.00 2bec n GLN 76 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2bec s ARG 77 N -0.60 0.47 -0.27 -1.09 1.70 -1.25 -4.40 118.95 113.51 2bec s ARG 77 Ca 0.05 0.12 -0.01 0.00 -0.47 0.00 0.00 55.73 55.42 2bec s ARG 77 Cb 0.05 0.22 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2bec s ARG 77 CO 0.00 -0.10 -0.05 0.08 -1.08 0.00 0.00 175.30 174.16 2bec s VAL 78 N -0.52 2.85 0.75 4.99 1.01 -0.21 -4.87 120.40 124.39 2bec s VAL 78 Ca -0.06 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.59 2bec s VAL 78 Cb -0.04 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.86 2bec s VAL 78 CO 0.02 0.08 1.14 1.51 0.00 0.00 0.00 175.10 177.85 2bec s ASP 79 N 1.28 4.32 0.26 3.32 -4.77 -1.26 -2.64 116.67 117.18 2bec s ASP 79 Ca -0.02 2.11 -0.02 0.00 -3.30 0.00 0.00 52.55 51.31 2bec s ASP 79 Cb -0.18 -2.56 0.48 0.00 -1.09 0.00 0.00 42.92 39.57 2bec s ASP 79 CO -0.03 -2.16 1.79 0.15 0.70 0.00 0.00 175.17 175.61 2bec h PHE 80 N -0.64 0.85 -0.03 2.11 3.04 -1.98 -0.58 116.94 119.72 2bec h PHE 80 Ca -0.46 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.51 2bec h PHE 80 Cb 1.26 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2bec h PHE 80 CO 0.52 0.29 -0.06 -1.00 -2.02 0.00 0.00 178.31 176.04 2bec h PRO 81 N 0.74 0.04 -0.09 6.41 0.13 -1.99 -1.63 132.00 135.61 2bec h PRO 81 Ca 0.44 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.34 2bec h PRO 81 Cb 0.51 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.64 2bec h PRO 81 CO -0.30 0.10 -0.83 0.78 -0.23 0.00 0.00 178.00 177.53 2bec h GLY 82 N 0.27 0.70 0.77 1.56 0.00 -1.49 0.84 103.07 105.73 2bec h GLY 82 Ca 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 47.33 46.34 2bec h GLY 82 CO 0.01 0.93 0.54 -2.75 0.00 0.00 0.00 176.54 175.27 2bec h PHE 83 N 0.41 1.00 0.02 5.60 3.57 -0.46 -2.29 116.94 124.80 2bec h PHE 83 Ca -0.06 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.23 2bec h PHE 83 Cb 1.45 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2bec h PHE 83 CO 0.07 0.53 -1.17 0.28 -2.23 0.00 0.00 178.31 175.79 2bec h VAL 84 N 1.01 1.52 -0.78 1.41 2.07 -1.28 -3.04 116.25 117.16 2bec h VAL 84 Ca 0.36 -3.23 0.12 0.00 0.82 0.00 0.00 66.70 64.77 2bec h VAL 84 Cb 0.12 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 2bec h VAL 84 CO -0.15 0.88 0.51 -0.09 0.02 0.00 0.00 177.57 178.74 2bec h ARG 85 N 0.01 0.59 0.13 1.57 2.43 -0.26 0.30 114.38 119.16 2bec h ARG 85 Ca -0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2bec h ARG 85 Cb 1.85 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2bec h ARG 85 CO 0.13 0.39 -0.06 0.28 -1.51 0.00 0.00 179.97 179.20 2bec h VAL 86 N 0.61 0.42 0.00 0.20 2.07 -1.54 -3.28 116.25 114.74 2bec h VAL 86 Ca 0.37 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2bec h VAL 86 Cb 0.60 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2bec h VAL 86 CO -0.14 0.13 0.18 -0.07 0.02 0.00 0.00 177.57 177.69 2bec h LEU 87 N -1.00 0.00 -1.73 2.57 3.38 -1.36 -0.42 115.31 116.75 2bec h LEU 87 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2bec h LEU 87 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2bec h LEU 87 CO 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.39 2bec h ALA 88 N 1.63 1.39 0.00 1.53 0.00 -0.47 -1.69 119.26 121.66 2bec h ALA 88 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2bec h ALA 88 Cb 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bec h ALA 88 CO 0.00 0.22 -0.18 0.45 0.00 0.00 0.00 179.25 179.74 2bec h HIS 89 N 0.00 0.00 -0.65 0.00 3.86 -1.19 -2.14 115.15 115.03 2bec h HIS 89 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bec h HIS 89 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2bec h HIS 89 CO 0.00 0.18 0.00 1.19 0.86 0.00 0.00 177.93 180.16 2bec n PHE 90 N -3.84 1.16 -2.19 2.45 3.01 -0.64 -4.49 117.46 112.92 2bec n PHE 90 Ca -0.02 -0.56 -0.42 0.00 1.01 0.00 0.00 57.45 57.46 2bec n PHE 90 Cb 0.27 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 2bec n PHE 90 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2bec s ARG 91 N -1.44 4.31 0.36 -1.08 3.52 -0.80 0.74 118.95 124.56 2bec s ARG 91 Ca 0.47 2.04 -0.26 0.00 -0.13 0.00 0.00 55.73 57.85 2bec s ARG 91 Cb 0.28 -3.35 -0.12 0.00 -1.56 0.00 0.00 34.95 30.19 2bec s ARG 91 CO 0.27 -0.47 0.98 -2.30 -0.81 0.00 0.00 175.30 172.97 2bec n PRO 92 N 4.38 1.31 -2.80 5.12 -0.02 -1.26 -4.82 135.00 136.91 2bec n PRO 92 Ca 0.12 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2bec n PRO 92 Cb 0.43 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2bec n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bec s VAL 93 N -1.19 4.91 0.16 -1.45 0.11 -1.26 -5.05 120.40 116.63 2bec s VAL 93 Ca 0.61 1.88 0.03 0.00 -2.93 0.00 0.00 61.98 61.57 2bec s VAL 93 Cb -0.62 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 29.95 2bec s VAL 93 CO 0.59 0.17 0.24 -1.61 -3.33 0.00 0.00 175.10 171.16 2bec s GLU 94 N 1.04 3.26 0.52 1.54 0.41 -1.26 -4.99 118.70 119.22 2bec s GLU 94 Ca 0.47 -0.70 0.19 0.00 -0.41 0.00 0.00 54.97 54.52 2bec s GLU 94 Cb -0.20 -2.85 1.30 0.00 -1.78 0.00 0.00 34.13 30.60 2bec s GLU 94 CO 0.24 0.50 2.11 -0.44 -0.49 0.00 0.00 175.26 177.18 2bec h ASP 95 N 2.17 0.01 0.62 -0.19 5.19 -2.01 0.66 116.42 122.86 2bec h ASP 95 Ca -0.48 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.86 2bec h ASP 95 Cb 1.20 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2bec h ASP 95 CO 0.66 0.00 -0.30 -0.33 -3.12 0.00 0.00 179.24 176.15 2bec h GLU 96 N 0.01 0.00 -0.26 3.56 5.08 -2.00 -1.74 114.58 119.23 2bec h GLU 96 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2bec h GLU 96 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bec h GLU 96 CO -0.00 0.30 -0.13 -0.44 -1.00 0.00 0.00 179.01 177.74 2bec h ASP 97 N 0.00 0.41 0.56 1.42 3.45 -1.25 -3.17 116.42 117.84 2bec h ASP 97 Ca -0.00 -0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.23 2bec h ASP 97 Cb 0.70 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 2bec h ASP 97 CO 0.04 0.58 -1.54 0.35 -1.57 0.00 0.00 179.24 177.10 2bec n THR 98 N -4.21 0.86 -0.34 0.35 -2.24 -1.01 -4.95 114.28 102.74 2bec n THR 98 Ca 0.00 -0.64 0.10 0.00 -2.27 0.00 0.00 64.05 61.24 2bec n THR 98 Cb 0.31 -0.48 0.29 0.00 -2.10 0.00 0.00 70.33 68.36 2bec n THR 98 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2bec h GLU 99 N 0.00 0.84 0.00 -0.78 5.08 -1.31 -3.52 114.58 114.89 2bec h GLU 99 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2bec h GLU 99 Cb 1.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2bec h GLU 99 CO 0.02 0.56 0.00 1.17 -1.00 0.00 0.00 179.01 179.76 2bec n LYS 105 N -4.64 0.00 -2.48 2.33 4.81 -1.26 -5.13 118.16 111.80 2bec n LYS 105 Ca 0.20 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.26 2bec n LYS 105 Cb 0.44 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.45 2bec n LYS 105 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2bec s PRO 106 N -4.68 4.17 -0.17 1.64 0.04 -1.26 -4.97 135.00 129.76 2bec s PRO 106 Ca 0.00 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2bec s PRO 106 Cb 0.00 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 2bec s PRO 106 CO 0.00 -0.16 1.70 -2.00 0.04 0.00 0.00 177.00 176.58 2bec s GLU 107 N -2.36 3.83 0.39 4.56 2.12 -1.26 -4.97 118.70 121.01 2bec s GLU 107 Ca 0.57 1.85 -0.26 0.00 0.36 0.00 0.00 54.97 57.49 2bec s GLU 107 Cb -0.25 -4.06 -0.09 0.00 0.26 0.00 0.00 34.13 29.99 2bec s GLU 107 CO 0.31 -1.26 1.18 -1.25 -0.54 0.00 0.00 175.26 173.70 2bec s PRO 108 N 4.69 4.11 0.01 4.30 0.04 -1.26 -4.89 135.00 142.00 2bec s PRO 108 Ca 0.75 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.68 2bec s PRO 108 Cb -0.28 -2.74 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2bec s PRO 108 CO 0.31 -0.28 0.95 1.28 0.04 0.00 0.00 177.00 179.29 2bec n LEU 109 N 0.20 0.02 -1.37 -3.56 4.77 -1.26 -1.23 117.00 114.56 2bec n LEU 109 Ca 0.04 0.44 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 2bec n LEU 109 Cb 0.46 -0.44 0.32 0.00 -2.33 0.00 0.00 43.42 41.43 2bec n LEU 109 CO 0.52 -0.44 0.78 -0.46 -1.33 0.00 0.00 177.39 176.45 2bec n ASN 110 N -1.45 4.48 -4.80 -1.43 6.94 -1.25 -3.97 115.26 113.78 2bec n ASN 110 Ca -0.00 -2.56 -0.32 0.00 -0.02 0.00 0.00 54.58 51.69 2bec n ASN 110 Cb 0.08 -0.54 0.04 0.00 -2.36 0.00 0.00 39.78 37.00 2bec n ASN 110 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2bec s SER 111 N -1.11 5.39 0.17 0.53 1.04 -0.37 -4.79 113.70 114.56 2bec s SER 111 Ca 0.46 1.73 -0.19 0.00 0.48 0.00 0.00 55.95 58.43 2bec s SER 111 Cb 0.32 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 64.01 2bec s SER 111 CO 0.19 -1.44 1.64 -0.09 0.98 0.00 0.00 173.24 174.52 2bec h ARG 112 N -0.35 -0.13 -0.74 4.02 2.43 -1.93 0.41 114.38 118.09 2bec h ARG 112 Ca -0.45 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 58.89 2bec h ARG 112 Cb 1.22 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 2bec h ARG 112 CO 0.56 -0.08 0.19 -0.09 -1.51 0.00 0.00 179.97 179.04 2bec h ARG 113 N -0.13 0.27 -0.00 0.20 2.43 -1.95 0.77 114.38 115.97 2bec h ARG 113 Ca 0.19 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 2bec h ARG 113 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2bec h ARG 113 CO -0.46 0.18 -0.80 -0.91 -1.51 0.00 0.00 179.97 176.48 2bec h ASN 114 N 0.28 0.05 -0.44 -3.80 2.35 -1.55 -1.29 115.58 111.18 2bec h ASN 114 Ca 0.42 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 2bec h ASN 114 Cb 0.72 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2bec h ASN 114 CO -0.51 0.83 -0.27 0.11 -1.65 0.00 0.00 177.43 175.94 2bec h LYS 115 N 0.02 0.96 -0.46 0.81 1.57 0.35 -1.21 116.57 118.62 2bec h LYS 115 Ca -0.01 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 2bec h LYS 115 Cb 1.40 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 2bec h LYS 115 CO 0.11 1.11 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.00 2bec h LEU 116 N 0.80 0.81 -0.79 2.94 3.38 -0.85 -1.91 115.31 119.69 2bec h LEU 116 Ca 0.09 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2bec h LEU 116 Cb 0.85 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2bec h LEU 116 CO 0.08 0.94 0.52 0.45 0.09 0.00 0.00 178.44 180.51 2bec h HIS 117 N 0.67 0.98 -0.16 1.13 3.86 -1.08 0.50 115.15 121.04 2bec h HIS 117 Ca 0.13 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2bec h HIS 117 Cb 0.53 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2bec h HIS 117 CO 0.04 0.61 0.06 -0.92 0.86 0.00 0.00 177.93 178.58 2bec h TYR 118 N 1.06 0.26 -0.56 2.45 5.03 -1.01 0.75 116.97 124.95 2bec h TYR 118 Ca 0.29 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.54 2bec h TYR 118 Cb -0.10 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 2bec h TYR 118 CO -0.02 0.34 0.18 0.00 -1.32 0.00 0.00 178.16 177.34 2bec h ALA 119 N 0.89 0.73 -0.57 1.82 0.00 -1.00 -2.59 119.26 118.54 2bec h ALA 119 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2bec h ALA 119 Cb 0.20 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2bec h ALA 119 CO -0.00 0.38 0.30 0.35 0.00 0.00 0.00 179.25 180.28 2bec h PHE 120 N 0.77 0.55 0.00 0.00 3.57 0.23 -0.38 116.94 121.69 2bec h PHE 120 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2bec h PHE 120 Cb 0.27 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2bec h PHE 120 CO 0.02 0.27 0.00 1.04 -2.23 0.00 0.00 178.31 177.41 2bec n GLN 121 N -4.84 0.16 0.12 1.11 6.02 0.24 -1.55 117.38 118.64 2bec n GLN 121 Ca 0.06 0.57 0.11 0.00 -0.01 0.00 0.00 57.00 57.72 2bec n GLN 121 Cb 0.14 -1.93 0.03 0.00 1.02 0.00 0.00 30.24 29.50 2bec n GLN 121 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2bec h LEU 122 N 0.00 0.00 0.00 1.08 3.38 -0.86 -3.36 115.31 115.55 2bec h LEU 122 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2bec h LEU 122 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2bec h LEU 122 CO 0.00 0.04 -0.43 1.88 0.09 0.00 0.00 178.44 180.02 2bec h TYR 123 N 0.00 0.00 -0.92 1.13 -1.99 -1.16 -3.41 116.97 110.62 2bec h TYR 123 Ca -0.01 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.06 2bec h TYR 123 Cb 1.04 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.69 2bec h TYR 123 CO 0.00 0.71 2.04 0.34 -0.00 0.00 0.00 178.16 181.25 2bec s ASP 124 N -6.14 6.76 0.16 3.88 3.68 -0.70 -4.77 116.67 119.54 2bec s ASP 124 Ca -0.16 -2.22 -0.11 0.00 2.13 0.00 0.00 52.55 52.19 2bec s ASP 124 Cb 0.01 -2.58 0.02 0.00 -1.45 0.00 0.00 42.92 38.92 2bec s ASP 124 CO 0.41 -1.25 1.59 -0.07 0.13 0.00 0.00 175.17 175.98 2bec h LEU 125 N 12.61 0.95 0.00 -1.34 3.38 -1.81 -2.67 115.31 126.43 2bec h LEU 125 Ca 0.39 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2bec h LEU 125 Cb 0.90 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2bec h LEU 125 CO 1.45 1.06 0.00 -0.90 0.09 0.00 0.00 178.44 180.14 2bec n ASP 126 N -4.23 0.00 -3.71 -0.43 5.75 -1.26 -4.85 116.55 107.82 2bec n ASP 126 Ca 0.01 -0.88 -0.28 0.00 -0.01 0.00 0.00 54.79 53.62 2bec n ASP 126 Cb 0.37 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 2bec n ASP 126 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bec n ARG 127 N -0.82 -3.24 0.00 0.11 1.74 -1.01 -4.83 116.66 108.61 2bec n ARG 127 Ca 0.10 0.40 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 2bec n ARG 127 Cb 0.05 -5.11 0.54 0.00 -1.02 0.00 0.00 32.46 26.91 2bec n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bec n ASP 128 N -2.41 0.51 0.00 0.55 3.85 -1.26 -4.92 116.55 112.87 2bec n ASP 128 Ca 0.03 -0.48 0.00 0.00 -0.71 0.00 0.00 54.79 53.63 2bec n ASP 128 Cb 0.51 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 2bec n ASP 128 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bec n GLY 129 N 1.33 0.47 3.06 6.12 0.00 -1.26 -5.06 105.19 109.86 2bec n GLY 129 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2bec n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bec s LYS 130 N -0.89 0.49 -0.51 1.61 -2.85 -1.26 -3.83 119.74 112.50 2bec s LYS 130 Ca 0.00 -0.80 -0.15 0.00 -1.00 0.00 0.00 55.97 54.02 2bec s LYS 130 Cb 0.00 0.18 0.12 0.00 -2.06 0.00 0.00 37.83 36.07 2bec s LYS 130 CO 0.00 -0.10 0.45 0.42 0.10 0.00 0.00 175.35 176.22 2bec s ILE 131 N -2.48 5.01 1.15 3.79 1.01 -0.06 -4.74 121.20 124.89 2bec s ILE 131 Ca -0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 2bec s ILE 131 Cb -0.02 -4.19 0.27 0.00 0.01 0.00 0.00 42.46 38.53 2bec s ILE 131 CO -0.04 -0.79 1.04 -0.94 0.00 0.00 0.00 174.94 174.21 2bec s SER 132 N 3.23 1.24 0.45 3.58 1.04 -1.26 -2.23 113.70 119.75 2bec s SER 132 Ca 0.04 1.23 0.24 0.00 0.48 0.00 0.00 55.95 57.94 2bec s SER 132 Cb -0.28 -1.91 1.03 0.00 0.10 0.00 0.00 66.02 64.96 2bec s SER 132 CO 0.03 -4.00 1.88 0.03 0.98 0.00 0.00 173.24 172.16 2bec h ARG 133 N -2.49 0.00 0.00 4.02 3.08 -1.92 -2.76 114.38 114.32 2bec h ARG 133 Ca -0.57 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.31 2bec h ARG 133 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.40 2bec h ARG 133 CO 0.50 0.23 -0.67 1.25 -1.07 0.00 0.00 179.97 180.20 2bec h HIS 134 N 0.00 0.68 0.00 3.04 2.76 -1.96 -1.30 115.15 118.37 2bec h HIS 134 Ca -0.00 -0.37 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2bec h HIS 134 Cb 0.65 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 2bec h HIS 134 CO 0.00 1.19 -0.06 0.93 -1.30 0.00 0.00 177.93 178.70 2bec h GLU 135 N -0.03 0.00 0.21 5.26 5.08 -1.83 0.71 114.58 123.98 2bec h GLU 135 Ca -0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 2bec h GLU 135 Cb 1.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.65 2bec h GLU 135 CO 0.13 0.06 -1.66 1.98 -1.00 0.00 0.00 179.01 178.52 2bec h MET 136 N 0.00 0.45 -0.59 2.33 4.05 -1.47 -3.14 114.93 116.55 2bec h MET 136 Ca -0.00 -0.76 -0.01 0.00 -0.28 0.00 0.00 59.70 58.65 2bec h MET 136 Cb 0.14 0.28 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2bec h MET 136 CO 0.01 1.36 0.34 1.25 0.23 0.00 0.00 176.91 180.10 2bec h LEU 137 N 0.11 0.71 -0.27 3.39 5.85 -0.30 0.61 115.31 125.42 2bec h LEU 137 Ca -0.32 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.19 2bec h LEU 137 Cb 2.12 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2bec h LEU 137 CO 0.21 0.56 -0.48 1.56 -0.34 0.00 0.00 178.44 179.96 2bec h GLN 138 N 0.82 0.80 -0.70 1.25 1.08 -0.98 -1.74 115.11 115.64 2bec h GLN 138 Ca 0.21 -0.50 -0.05 0.00 -1.45 0.00 0.00 58.65 56.86 2bec h GLN 138 Cb -0.01 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2bec h GLN 138 CO -0.04 1.13 0.23 0.28 -0.95 0.00 0.00 178.83 179.48 2bec h VAL 139 N 0.55 1.25 -0.29 -0.54 2.07 -1.37 -3.03 116.25 114.90 2bec h VAL 139 Ca 0.02 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2bec h VAL 139 Cb 1.08 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2bec h VAL 139 CO 0.11 0.34 0.15 -0.07 0.02 0.00 0.00 177.57 178.11 2bec h LEU 140 N 1.02 0.37 -1.64 2.57 3.38 -0.73 -1.88 115.31 118.40 2bec h LEU 140 Ca 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2bec h LEU 140 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2bec h LEU 140 CO -0.01 0.37 0.00 0.08 0.09 0.00 0.00 178.44 178.97 2bec h ARG 141 N 0.34 0.00 0.06 1.13 0.11 -1.24 -0.82 114.38 113.96 2bec h ARG 141 Ca 0.10 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.92 2bec h ARG 141 Cb 0.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2bec h ARG 141 CO -0.01 0.00 -1.25 -0.07 0.10 0.00 0.00 179.97 178.74 2bec h LEU 142 N 0.00 0.20 -5.86 0.08 3.38 -1.23 -3.39 115.31 108.49 2bec h LEU 142 Ca 0.00 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 57.13 2bec h LEU 142 Cb 0.08 -0.06 -0.42 0.00 0.09 0.00 0.00 40.66 40.35 2bec h LEU 142 CO 0.00 1.19 -0.57 1.15 0.09 0.00 0.00 178.44 180.30 2bec n MET 143 N -3.39 2.88 -3.27 1.13 0.00 -0.31 -4.79 117.12 109.37 2bec n MET 143 Ca -0.07 -4.75 -0.21 0.00 0.00 0.00 0.00 57.70 52.66 2bec n MET 143 Cb 1.00 -2.26 -0.08 0.00 0.00 0.00 0.00 33.22 31.88 2bec n MET 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2bec s VAL 144 N -3.28 -0.04 0.00 3.17 -7.23 -1.22 -4.95 120.40 106.84 2bec s VAL 144 Ca 0.43 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2bec s VAL 144 Cb 0.20 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.23 2bec s VAL 144 CO -0.06 -0.88 0.65 0.61 -0.31 0.00 0.00 175.10 175.11 2bec n GLY 145 N 3.20 -3.50 3.65 2.32 0.00 -1.26 -4.47 105.19 105.13 2bec n GLY 145 Ca 0.23 0.72 -0.46 0.00 0.00 0.00 0.00 46.02 46.51 2bec n GLY 145 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bec n VAL 146 N -1.62 0.46 -1.61 1.61 0.24 -1.26 -4.79 118.33 111.36 2bec n VAL 146 Ca 0.00 -0.12 -0.48 0.00 -2.04 0.00 0.00 64.34 61.70 2bec n VAL 146 Cb 0.00 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 30.94 2bec n VAL 146 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2bec n GLN 147 N 2.61 1.83 -4.73 7.34 7.27 -1.26 -4.93 117.38 125.51 2bec n GLN 147 Ca 0.15 0.61 -0.33 0.00 0.07 0.00 0.00 57.00 57.50 2bec n GLN 147 Cb 0.28 -2.68 -0.13 0.00 2.41 0.00 0.00 30.24 30.13 2bec n GLN 147 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2bec s VAL 148 N 5.60 3.36 0.43 1.69 1.01 -1.26 -5.09 120.40 126.13 2bec s VAL 148 Ca 0.99 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2bec s VAL 148 Cb -0.69 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 2bec s VAL 148 CO 0.49 0.57 1.42 0.35 0.00 0.00 0.00 175.10 177.92 2bec n THR 149 N 2.70 2.54 0.14 3.92 -2.24 -1.26 -4.81 114.28 115.27 2bec n THR 149 Ca -0.18 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.19 2bec n THR 149 Cb 0.53 -1.83 0.48 0.00 -2.10 0.00 0.00 70.33 67.41 2bec n THR 149 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2bec n GLU 150 N 0.02 0.11 -0.08 -0.78 2.13 -1.26 -1.43 120.64 119.35 2bec n GLU 150 Ca 0.04 0.60 -0.16 0.00 0.66 0.00 0.00 57.16 58.31 2bec n GLU 150 Cb 0.40 -1.94 -0.13 0.00 0.27 0.00 0.00 31.44 30.05 2bec n GLU 150 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2bec h GLU 151 N 0.00 0.00 -0.97 5.31 4.39 -1.99 -2.72 114.58 118.59 2bec h GLU 151 Ca 0.00 -0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2bec h GLU 151 Cb 0.13 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.66 2bec h GLU 151 CO 0.00 1.00 0.55 1.96 -1.16 0.00 0.00 179.01 181.36 2bec h GLN 152 N -1.00 0.60 0.94 2.33 4.20 -1.60 0.75 115.11 121.34 2bec h GLN 152 Ca -0.08 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 2bec h GLN 152 Cb 1.07 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.72 2bec h GLN 152 CO -0.05 0.40 -0.45 -0.07 -0.67 0.00 0.00 178.83 177.99 2bec h LEU 153 N 0.62 -1.07 -0.94 1.46 3.38 -1.55 0.30 115.31 117.52 2bec h LEU 153 Ca 0.59 0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.86 2bec h LEU 153 Cb 1.02 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 2bec h LEU 153 CO -0.44 -0.76 0.39 -0.33 0.09 0.00 0.00 178.44 177.39 2bec h GLU 154 N -1.26 0.28 0.02 1.13 5.08 -0.89 1.18 114.58 120.12 2bec h GLU 154 Ca -0.13 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2bec h GLU 154 Cb 0.97 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2bec h GLU 154 CO 0.21 0.18 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.48 2bec h ASN 155 N 0.29 -0.03 0.51 1.42 2.35 -0.42 0.30 115.58 120.00 2bec h ASN 155 Ca 0.63 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 56.24 2bec h ASN 155 Cb 1.33 0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.72 2bec h ASN 155 CO -0.62 0.10 -0.25 0.40 -1.65 0.00 0.00 177.43 175.41 2bec h ILE 156 N -0.15 0.47 -1.00 2.81 2.04 0.36 0.38 117.51 122.43 2bec h ILE 156 Ca -0.00 -0.21 0.20 0.00 1.00 0.00 0.00 64.86 65.84 2bec h ILE 156 Cb 0.14 0.56 -0.10 0.00 -0.74 0.00 0.00 36.82 36.67 2bec h ILE 156 CO 0.01 0.03 0.61 0.00 0.00 0.00 0.00 178.15 178.80 2bec h ALA 157 N -0.40 1.75 0.39 1.87 0.00 0.12 0.96 119.26 123.95 2bec h ALA 157 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2bec h ALA 157 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bec h ALA 157 CO 0.12 -0.12 -0.19 0.22 0.00 0.00 0.00 179.25 179.28 2bec h ASP 158 N 0.71 -0.45 -0.57 0.00 1.82 0.01 -0.40 116.42 117.55 2bec h ASP 158 Ca 0.57 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.34 2bec h ASP 158 Cb 0.96 0.12 -0.11 0.00 0.68 0.00 0.00 39.33 40.98 2bec h ASP 158 CO -0.37 -0.27 -0.17 -0.09 -1.61 0.00 0.00 179.24 176.74 2bec h ARG 159 N -0.63 -0.03 0.06 0.28 2.43 0.42 0.90 114.38 117.80 2bec h ARG 159 Ca -0.05 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2bec h ARG 159 Cb 0.40 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2bec h ARG 159 CO 0.09 -0.02 -0.49 1.15 -1.51 0.00 0.00 179.97 179.19 2bec h THR 160 N -0.03 0.06 -0.72 0.20 2.02 0.93 0.72 112.91 116.09 2bec h THR 160 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 2bec h THR 160 Cb 0.45 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2bec h THR 160 CO -0.60 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.14 2bec h VAL 161 N -0.67 1.25 0.12 3.16 2.07 -0.21 -2.09 116.25 119.87 2bec h VAL 161 Ca 0.02 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2bec h VAL 161 Cb 0.71 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2bec h VAL 161 CO -0.31 0.32 -0.37 -0.61 0.02 0.00 0.00 177.57 176.62 2bec h GLN 162 N 1.05 -0.58 -0.41 1.57 4.15 0.20 1.09 115.11 122.17 2bec h GLN 162 Ca 0.24 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.73 2bec h GLN 162 Cb 0.22 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 2bec h GLN 162 CO -0.02 -0.39 0.22 0.93 -1.93 0.00 0.00 178.83 177.65 2bec h GLU 163 N -0.60 0.43 0.00 1.69 5.08 0.62 -2.73 114.58 119.08 2bec h GLU 163 Ca 0.03 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2bec h GLU 163 Cb 0.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2bec h GLU 163 CO -0.22 0.29 -0.41 0.00 -1.00 0.00 0.00 179.01 177.67 2bec h ALA 164 N 1.20 0.85 -1.85 3.43 0.00 -1.08 -3.43 119.26 118.38 2bec h ALA 164 Ca 0.17 -0.37 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 2bec h ALA 164 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2bec h ALA 164 CO -0.10 0.51 1.11 0.34 0.00 0.00 0.00 179.25 181.10 2bec s ASP 165 N -6.40 6.29 -0.24 0.00 2.15 0.37 -4.82 116.67 114.03 2bec s ASP 165 Ca 0.02 1.06 -0.09 0.00 0.43 0.00 0.00 52.55 53.97 2bec s ASP 165 Cb 0.09 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 40.01 2bec s ASP 165 CO 0.70 -1.43 -0.12 1.21 -0.17 0.00 0.00 175.17 175.37 2bec n GLU 166 N 8.01 0.63 -0.14 4.34 0.00 -1.26 -4.30 120.64 127.92 2bec n GLU 166 Ca 0.18 0.27 0.01 0.00 0.00 0.00 0.00 57.16 57.63 2bec n GLU 166 Cb 0.47 -1.57 0.07 0.00 0.00 0.00 0.00 31.44 30.41 2bec n GLU 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2bec n ASP 167 N -3.84 1.58 -0.81 4.31 5.75 -1.26 -4.88 116.55 117.40 2bec n ASP 167 Ca -0.45 -2.13 -0.04 0.00 -0.01 0.00 0.00 54.79 52.17 2bec n ASP 167 Cb 0.91 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 2bec n ASP 167 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bec n GLY 168 N 0.26 0.34 0.00 6.12 0.00 -1.26 -4.74 105.19 105.91 2bec n GLY 168 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2bec n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bec n ASP 169 N 0.90 0.00 0.00 1.61 3.85 -1.26 -4.81 116.55 116.84 2bec n ASP 169 Ca -0.04 -0.83 0.00 0.00 -0.71 0.00 0.00 54.79 53.22 2bec n ASP 169 Cb 0.15 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 2bec n ASP 169 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bec n GLY 170 N 0.12 3.04 3.78 6.12 0.00 -1.26 -4.99 105.19 112.00 2bec n GLY 170 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2bec n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bec s ALA 171 N -1.63 3.98 -0.26 4.61 0.00 -1.26 -4.46 121.76 122.74 2bec s ALA 171 Ca 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 2bec s ALA 171 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2bec s ALA 171 CO 0.00 -0.18 -0.03 0.08 0.00 0.00 0.00 175.76 175.63 2bec s VAL 172 N -2.76 3.12 0.87 0.00 1.01 -0.94 -4.69 120.40 116.99 2bec s VAL 172 Ca 0.25 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2bec s VAL 172 Cb 0.02 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.91 2bec s VAL 172 CO 0.14 0.14 1.22 -0.94 0.00 0.00 0.00 175.10 175.66 2bec s SER 173 N 1.35 3.96 0.23 3.32 1.04 -1.26 -0.88 113.70 121.47 2bec s SER 173 Ca 0.00 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 57.01 2bec s SER 173 Cb -0.17 -1.01 0.23 0.00 0.10 0.00 0.00 66.02 65.17 2bec s SER 173 CO -0.03 -2.24 1.83 0.15 0.98 0.00 0.00 173.24 173.93 2bec h PHE 174 N -1.29 1.18 -0.31 5.02 3.57 -1.99 -1.12 116.94 122.01 2bec h PHE 174 Ca -0.46 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 2bec h PHE 174 Cb 1.30 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2bec h PHE 174 CO -0.16 0.86 0.07 -0.39 -2.23 0.00 0.00 178.31 176.47 2bec h VAL 175 N 1.16 1.22 0.00 1.41 -1.51 -1.94 0.64 116.25 117.23 2bec h VAL 175 Ca 0.28 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2bec h VAL 175 Cb 0.13 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2bec h VAL 175 CO -0.03 0.24 0.00 -0.33 -1.23 0.00 0.00 177.57 176.22 2bec h GLU 176 N 0.33 0.00 0.03 5.19 5.08 -1.86 0.43 114.58 123.79 2bec h GLU 176 Ca 0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2bec h GLU 176 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2bec h GLU 176 CO 0.00 0.00 -0.26 0.35 -1.00 0.00 0.00 179.01 178.10 2bec h PHE 177 N 0.00 0.21 0.18 4.33 3.57 -0.01 -2.41 116.94 122.80 2bec h PHE 177 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2bec h PHE 177 Cb 0.34 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2bec h PHE 177 CO 0.00 1.03 -0.15 1.15 -2.23 0.00 0.00 178.31 178.11 2bec h THR 178 N -0.67 0.67 -0.81 4.41 2.02 0.12 -2.53 112.91 116.12 2bec h THR 178 Ca -0.04 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.31 2bec h THR 178 Cb 1.12 0.67 -0.11 0.00 -1.74 0.00 0.00 68.15 68.10 2bec h THR 178 CO 0.05 0.00 0.33 0.50 0.37 0.00 0.00 175.52 176.77 2bec h LYS 179 N -0.34 0.42 0.00 6.66 1.63 -0.26 0.84 116.57 125.53 2bec h LYS 179 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2bec h LYS 179 Cb 0.31 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2bec h LYS 179 CO -0.02 0.28 0.00 -1.13 -3.45 0.00 0.00 179.45 175.13 2bec n SER 180 N -5.01 0.00 -0.14 4.20 3.41 -0.91 -2.51 113.62 112.66 2bec n SER 180 Ca 0.17 -0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 2bec n SER 180 Cb 0.50 -0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 2bec n SER 180 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bec n LEU 181 N -1.16 1.47 -0.08 1.04 4.77 0.28 -4.82 117.00 118.49 2bec n LEU 181 Ca 0.07 -2.00 0.10 0.00 -0.03 0.00 0.00 56.01 54.15 2bec n LEU 181 Cb 0.07 -0.18 0.47 0.00 -2.33 0.00 0.00 43.42 41.45 2bec n LEU 181 CO 0.08 0.47 1.19 -0.33 -1.33 0.00 0.00 177.39 177.47 2bec h GLU 182 N 0.00 0.45 -0.59 3.23 5.08 -1.34 0.13 114.58 121.54 2bec h GLU 182 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bec h GLU 182 Cb 0.97 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2bec h GLU 182 CO 0.00 0.30 0.00 1.17 -1.00 0.00 0.00 179.01 179.48 2bec n LYS 183 N -4.47 2.59 -3.59 2.33 4.81 -1.26 -4.91 118.16 113.65 2bec n LYS 183 Ca 0.09 -2.12 -0.36 0.00 -0.87 0.00 0.00 58.31 55.05 2bec n LYS 183 Cb 0.32 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 2bec n LYS 183 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2bec s MET 184 N -1.40 3.76 -1.04 1.64 1.75 0.45 -4.98 119.30 119.47 2bec s MET 184 Ca 0.39 0.19 -0.05 0.00 -1.25 0.00 0.00 55.69 54.96 2bec s MET 184 Cb 0.22 -3.07 0.07 0.00 2.84 0.00 0.00 34.83 34.88 2bec s MET 184 CO 0.24 0.62 2.61 -3.47 -0.65 0.00 0.00 175.02 174.36 2bec n ASP 185 N 1.22 7.53 -0.22 1.11 -0.08 -1.26 -4.74 116.55 120.11 2bec n ASP 185 Ca -0.11 -3.08 0.02 0.00 -1.51 0.00 0.00 54.79 50.12 2bec n ASP 185 Cb 0.52 -1.34 0.13 0.00 2.34 0.00 0.00 41.12 42.77 2bec n ASP 185 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2bec h VAL 186 N 2.43 0.61 -0.57 5.18 2.07 -1.94 -0.63 116.25 123.40 2bec h VAL 186 Ca 0.61 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 68.11 2bec h VAL 186 Cb 0.48 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 2bec h VAL 186 CO 1.27 0.05 -0.47 -0.33 0.02 0.00 0.00 177.57 178.11 2bec h GLU 187 N 0.28 -0.24 -0.25 1.57 4.39 -1.95 -1.12 114.58 117.26 2bec h GLU 187 Ca 0.35 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.89 2bec h GLU 187 Cb 0.53 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2bec h GLU 187 CO -0.43 -0.16 -0.51 0.37 -1.16 0.00 0.00 179.01 177.12 2bec h GLN 188 N -0.25 0.79 0.00 2.33 4.15 -1.85 -2.89 115.11 117.38 2bec h GLN 188 Ca 0.15 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2bec h GLN 188 Cb 0.56 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.32 2bec h GLN 188 CO -0.68 1.14 0.00 1.63 -1.93 0.00 0.00 178.83 178.99 2bec n LYS 189 N -4.09 0.10 -0.50 1.69 5.02 -0.28 -2.33 118.16 117.77 2bec n LYS 189 Ca -0.05 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 2bec n LYS 189 Cb 0.60 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.21 2bec n LYS 189 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2bec n MET 190 N -1.36 0.80 -4.38 1.97 2.81 -0.46 -5.04 117.12 111.47 2bec n MET 190 Ca 0.04 -2.21 -0.34 0.00 -1.81 0.00 0.00 57.70 53.39 2bec n MET 190 Cb 0.10 -1.03 -0.13 0.00 -0.71 0.00 0.00 33.22 31.45 2bec n MET 190 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2bec s SER 191 N -2.31 4.62 -0.36 7.83 0.01 -0.98 -4.26 113.70 118.25 2bec s SER 191 Ca 0.25 -0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.04 2bec s SER 191 Cb 0.24 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 2bec s SER 191 CO -0.03 0.14 2.07 -0.63 0.41 0.00 0.00 173.24 175.20 2bec s ILE 192 N 0.54 3.21 0.00 1.44 1.01 0.23 -4.90 121.20 122.73 2bec s ILE 192 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2bec s ILE 192 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2bec s ILE 192 CO 0.03 -0.26 0.78 0.54 0.00 0.00 0.00 174.94 176.02 2bec n ARG 193 N 8.75 0.00 -0.18 2.79 1.74 -1.26 -3.81 116.66 124.69 2bec n ARG 193 Ca 0.28 0.48 0.06 0.00 -0.77 0.00 0.00 57.85 57.90 2bec n ARG 193 Cb 0.48 -1.38 0.12 0.00 -1.02 0.00 0.00 32.46 30.67 2bec n ARG 193 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2bec n ILE 194 N -1.94 -0.21 -0.31 0.55 -5.35 -1.26 -0.14 119.36 110.69 2bec n ILE 194 Ca 0.00 1.13 0.16 0.00 -0.27 0.00 0.00 62.75 63.77 2bec n ILE 194 Cb 0.00 -1.62 0.34 0.00 -1.74 0.00 0.00 39.64 36.62 2bec n ILE 194 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2bec h LEU 195 N 0.00 0.04 0.00 7.28 5.85 -1.99 -3.55 115.31 122.94 2bec h LEU 195 Ca 0.28 0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.21 2bec h LEU 195 Cb 0.53 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2bec h LEU 195 CO -0.49 -0.19 0.00 0.29 -0.34 0.00 0.00 178.44 177.70