#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cru s SER 2 N 0.00 -0.23 0.09 1.61 0.15 -1.26 -5.19 113.70 108.86 2cru s SER 2 Ca 0.00 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 2cru s SER 2 Cb 0.00 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 2cru s SER 2 CO 0.00 -0.69 1.15 -0.94 1.20 0.00 0.00 173.24 173.96 2cru s SER 3 N -2.73 -0.03 0.02 5.45 1.04 -1.26 -5.19 113.70 111.00 2cru s SER 3 Ca 0.10 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2cru s SER 3 Cb -0.01 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2cru s SER 3 CO -0.03 -0.65 0.01 0.61 0.98 0.00 0.00 173.24 174.16 2cru n GLY 4 N -0.68 4.08 3.62 7.32 0.00 -1.26 -5.18 105.19 113.10 2cru n GLY 4 Ca -0.03 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 2cru n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cru s SER 5 N -1.10 -0.12 0.18 1.61 1.04 -1.26 -5.19 113.70 108.86 2cru s SER 5 Ca 0.01 -0.13 -0.24 0.00 0.48 0.00 0.00 55.95 56.07 2cru s SER 5 Cb 0.00 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.40 2cru s SER 5 CO 0.01 -0.39 0.95 -0.94 0.98 0.00 0.00 173.24 173.84 2cru s SER 6 N -2.72 -0.15 0.13 7.02 1.04 -1.26 -5.19 113.70 112.57 2cru s SER 6 Ca 0.12 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 2cru s SER 6 Cb 0.02 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.75 2cru s SER 6 CO -0.04 -0.99 1.10 -0.83 0.98 0.00 0.00 173.24 173.47 2cru s GLY 7 N -3.02 0.01 0.35 7.32 0.00 -1.26 -5.19 107.32 105.54 2cru s GLY 7 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2cru s GLY 7 CO 0.04 2.89 0.08 1.08 0.00 0.00 0.00 173.10 177.19 2cru s LEU 8 N -3.45 2.09 0.08 0.66 1.43 -1.26 -5.17 118.68 113.06 2cru s LEU 8 Ca 0.23 -1.47 0.02 0.00 -1.03 0.00 0.00 54.13 51.88 2cru s LEU 8 Cb -0.02 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2cru s LEU 8 CO 0.03 -0.71 -0.07 -0.60 0.23 0.00 0.00 176.35 175.23 2cru s ARG 9 N -3.85 0.73 0.13 1.70 3.52 -1.26 -5.17 118.95 114.75 2cru s ARG 9 Ca 0.32 -1.15 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2cru s ARG 9 Cb 0.07 -0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2cru s ARG 9 CO 0.15 0.01 0.29 0.50 -0.81 0.00 0.00 175.30 175.44 2cru s ARG 10 N -3.09 1.04 -0.23 5.12 3.52 -1.26 -5.18 118.95 118.87 2cru s ARG 10 Ca 0.05 -0.97 -0.27 0.00 -0.13 0.00 0.00 55.73 54.41 2cru s ARG 10 Cb 0.00 0.40 0.12 0.00 -1.56 0.00 0.00 34.95 33.91 2cru s ARG 10 CO -0.03 -0.38 0.98 1.14 -0.81 0.00 0.00 175.30 176.21 2cru s GLN 11 N -3.89 0.58 -0.30 5.12 -2.07 -1.26 -5.16 119.66 112.68 2cru s GLN 11 Ca 0.09 0.48 -0.11 0.00 -1.82 0.00 0.00 55.36 54.00 2cru s GLN 11 Cb 0.03 0.28 0.16 0.00 -1.09 0.00 0.00 33.01 32.39 2cru s GLN 11 CO -0.07 -0.11 0.81 1.03 -1.32 0.00 0.00 175.29 175.63 2cru s ARG 12 N -0.22 0.43 -0.15 9.60 0.52 -1.26 -5.15 118.95 122.72 2cru s ARG 12 Ca 0.01 0.98 0.02 0.00 -0.52 0.00 0.00 55.73 56.22 2cru s ARG 12 Cb -0.03 0.58 0.01 0.00 0.52 0.00 0.00 34.95 36.02 2cru s ARG 12 CO -0.03 -0.24 -0.20 -1.17 0.02 0.00 0.00 175.30 173.68 2cru s LEU 13 N 2.74 2.21 -0.20 2.53 2.96 -1.26 -4.88 118.68 122.77 2cru s LEU 13 Ca 0.01 -0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 2cru s LEU 13 Cb -0.10 -1.48 0.11 0.00 0.50 0.00 0.00 46.19 45.22 2cru s LEU 13 CO -0.18 0.08 0.95 0.00 -1.32 0.00 0.00 176.35 175.88 2cru s ALA 14 N 0.84 -1.92 -0.02 5.97 0.00 -1.26 -5.13 121.76 120.24 2cru s ALA 14 Ca -0.06 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.61 2cru s ALA 14 Cb -0.15 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2cru s ALA 14 CO -0.02 -0.29 -0.07 -1.83 0.00 0.00 0.00 175.76 173.55 2cru s GLU 15 N -0.51 0.81 0.30 0.00 -1.05 -1.26 -3.88 118.70 113.11 2cru s GLU 15 Ca -0.01 -0.24 -0.03 0.00 -0.15 0.00 0.00 54.97 54.54 2cru s GLU 15 Cb -0.02 -0.78 -0.01 0.00 -0.44 0.00 0.00 34.13 32.88 2cru s GLU 15 CO -0.00 0.07 0.39 -0.51 0.95 0.00 0.00 175.26 176.17 2cru s LEU 16 N 0.27 0.98 0.67 1.83 1.43 -1.26 -5.13 118.68 117.47 2cru s LEU 16 Ca -0.04 -1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 2cru s LEU 16 Cb -0.08 1.24 0.01 0.00 0.03 0.00 0.00 46.19 47.38 2cru s LEU 16 CO 0.00 -1.16 1.16 0.00 0.23 0.00 0.00 176.35 176.58 2cru s GLN 17 N -3.48 2.61 -0.22 1.70 -2.07 -1.26 -4.99 119.66 111.95 2cru s GLN 17 Ca 0.31 1.60 0.01 0.00 -1.82 0.00 0.00 55.36 55.46 2cru s GLN 17 Cb 0.01 -1.91 0.05 0.00 -1.09 0.00 0.00 33.01 30.07 2cru s GLN 17 CO 0.17 -1.43 -0.09 0.00 -1.32 0.00 0.00 175.29 172.62 2cru s ALA 18 N -2.08 2.13 0.02 2.60 0.00 -1.26 -4.21 121.76 118.97 2cru s ALA 18 Ca 0.71 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2cru s ALA 18 Cb -0.25 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2cru s ALA 18 CO 0.41 -1.02 0.07 0.15 0.00 0.00 0.00 175.76 175.36 2cru s LYS 19 N 1.32 0.49 0.50 0.00 3.01 -1.26 -5.06 119.74 118.75 2cru s LYS 19 Ca -0.04 -0.65 0.02 0.00 -1.01 0.00 0.00 55.97 54.29 2cru s LYS 19 Cb -0.18 0.19 -0.01 0.00 -1.01 0.00 0.00 37.83 36.82 2cru s LYS 19 CO -0.07 -0.11 0.04 -1.01 0.51 0.00 0.00 175.35 174.71 2cru s HIS 20 N -2.05 1.91 0.00 3.18 3.76 -1.26 -3.64 115.29 117.19 2cru s HIS 20 Ca -0.10 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 2cru s HIS 20 Cb -0.05 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2cru s HIS 20 CO -0.02 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 2cru n GLY 21 N -1.28 0.19 3.33 -2.22 0.00 -1.26 -4.57 105.19 99.38 2cru n GLY 21 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2cru n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cru n ASP 22 N 0.00 -2.67 0.06 1.61 9.92 -1.26 -4.83 116.55 119.38 2cru n ASP 22 Ca 0.00 0.45 0.09 0.00 -0.53 0.00 0.00 54.79 54.80 2cru n ASP 22 Cb 0.00 -1.08 0.39 0.00 -0.64 0.00 0.00 41.12 39.79 2cru n ASP 22 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2cru n PRO 23 N -0.06 0.09 -0.17 -0.24 -0.04 -1.26 -3.24 135.00 130.08 2cru n PRO 23 Ca 0.07 0.34 0.20 0.00 -0.04 0.00 0.00 63.50 64.06 2cru n PRO 23 Cb 0.52 -1.68 0.58 0.00 -0.04 0.00 0.00 33.50 32.88 2cru n PRO 23 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cru h GLY 24 N 2.33 0.52 -0.79 0.55 0.00 -2.02 -1.68 103.07 101.97 2cru h GLY 24 Ca 0.00 -0.12 0.33 0.00 0.00 0.00 0.00 47.33 47.54 2cru h GLY 24 CO 0.00 0.01 0.36 -0.55 0.00 0.00 0.00 176.54 176.36 2cru h ASP 25 N 0.26 0.10 -0.99 0.19 5.19 -1.91 0.22 116.42 119.48 2cru h ASP 25 Ca 0.40 0.24 0.18 0.00 -0.62 0.00 0.00 57.03 57.23 2cru h ASP 25 Cb 1.17 0.30 -0.18 0.00 0.18 0.00 0.00 39.33 40.80 2cru h ASP 25 CO -0.10 -0.30 -0.32 0.00 -3.12 0.00 0.00 179.24 175.40 2cru h ALA 26 N 1.93 0.41 0.00 3.45 0.00 -1.60 0.15 119.26 123.59 2cru h ALA 26 Ca 0.71 0.33 -0.27 0.00 0.00 0.00 0.00 54.91 55.68 2cru h ALA 26 Cb 1.66 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 2cru h ALA 26 CO -0.75 -0.50 -1.50 0.00 0.00 0.00 0.00 179.25 176.50 2cru n ALA 27 N -3.55 0.86 -0.34 0.00 0.00 0.37 -4.35 120.51 113.49 2cru n ALA 27 Ca 0.13 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 53.10 2cru n ALA 27 Cb 0.45 -0.37 0.29 0.00 0.00 0.00 0.00 19.45 19.82 2cru n ALA 27 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2cru h GLN 28 N -1.00 0.00 -0.81 0.00 4.15 -0.49 0.56 115.11 117.53 2cru h GLN 28 Ca -0.40 -0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.21 2cru h GLN 28 Cb 1.33 -0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.88 2cru h GLN 28 CO -0.24 0.00 0.03 1.96 -1.93 0.00 0.00 178.83 178.65 2cru h GLN 29 N 0.00 0.10 -0.86 1.69 1.08 -0.91 0.60 115.11 116.82 2cru h GLN 29 Ca 0.60 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.91 2cru h GLN 29 Cb 1.25 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.57 2cru h GLN 29 CO -0.93 0.07 0.49 0.93 -0.95 0.00 0.00 178.83 178.43 2cru h GLU 30 N 0.11 0.76 0.04 1.46 5.08 -0.08 -0.17 114.58 121.78 2cru h GLU 30 Ca 0.45 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2cru h GLU 30 Cb 0.83 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2cru h GLU 30 CO -0.70 0.50 -0.02 0.00 -1.00 0.00 0.00 179.01 177.79 2cru h ALA 31 N 1.49 -0.07 -0.94 3.43 0.00 -0.26 -3.31 119.26 119.60 2cru h ALA 31 Ca 0.43 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.60 2cru h ALA 31 Cb 0.45 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2cru h ALA 31 CO -0.28 -0.07 1.04 1.57 0.00 0.00 0.00 179.25 181.52 2cru h LYS 32 N -0.62 0.00 -0.05 0.00 5.09 -0.04 0.55 116.57 121.50 2cru h LYS 32 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2cru h LYS 32 Cb 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.37 2cru h LYS 32 CO 0.01 0.00 0.00 1.25 -2.09 0.00 0.00 179.45 178.62 2cru h HIS 33 N 0.00 0.09 0.00 0.07 2.76 -1.10 -1.52 115.15 115.45 2cru h HIS 33 Ca 0.45 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.59 2cru h HIS 33 Cb 2.53 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 31.47 2cru h HIS 33 CO 0.00 0.36 -0.07 0.00 -1.30 0.00 0.00 177.93 176.92 2cru h ARG 34 N -0.20 0.00 0.00 5.26 2.47 0.02 -0.58 114.38 121.35 2cru h ARG 34 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2cru h ARG 34 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2cru h ARG 34 CO 0.00 0.07 -0.07 1.49 0.56 0.00 0.00 179.97 182.03 2cru h GLU 35 N 0.00 0.00 0.00 0.04 4.57 -1.29 -2.98 114.58 114.92 2cru h GLU 35 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2cru h GLU 35 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2cru h GLU 35 CO 0.01 0.00 -0.38 0.00 -1.18 0.00 0.00 179.01 177.46 2cru h ALA 36 N 2.22 0.79 0.00 2.92 0.00 -0.04 -2.99 119.26 122.17 2cru h ALA 36 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2cru h ALA 36 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2cru h ALA 36 CO 0.00 0.47 -0.27 0.93 0.00 0.00 0.00 179.25 180.39 2cru h GLU 37 N 0.00 0.00 -0.92 0.00 4.39 -1.51 -3.14 114.58 113.40 2cru h GLU 37 Ca -0.00 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.95 2cru h GLU 37 Cb 1.20 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.71 2cru h GLU 37 CO 0.05 0.00 0.39 0.00 -1.16 0.00 0.00 179.01 178.29 2cru h MET 38 N -0.57 0.32 -0.37 2.33 -0.00 -1.70 0.20 114.93 115.15 2cru h MET 38 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.70 59.61 2cru h MET 38 Cb 0.27 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2cru h MET 38 CO 0.00 0.21 -0.06 0.07 -0.00 0.00 0.00 176.91 177.13 2cru h ARG 39 N 0.33 0.69 -1.00 -0.10 0.11 -1.72 -2.60 114.38 110.08 2cru h ARG 39 Ca 0.60 -0.25 0.21 0.00 0.10 0.00 0.00 59.98 60.64 2cru h ARG 39 Cb 1.24 -0.05 -0.11 0.00 1.11 0.00 0.00 29.97 32.16 2cru h ARG 39 CO -0.59 0.83 0.60 -0.97 0.10 0.00 0.00 179.97 179.95 2cru h ASN 40 N 0.49 0.75 0.20 0.08 -0.73 -0.56 0.25 115.58 116.06 2cru h ASN 40 Ca 0.10 0.11 -0.19 0.00 1.87 0.00 0.00 56.30 58.19 2cru h ASN 40 Cb 0.56 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 2cru h ASN 40 CO 0.03 0.22 -0.74 -1.28 -0.37 0.00 0.00 177.43 175.30 2cru h SER 41 N 0.71 0.55 -0.43 1.15 0.87 -1.28 -2.15 113.55 112.96 2cru h SER 41 Ca 0.60 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2cru h SER 41 Cb 0.99 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2cru h SER 41 CO -0.41 1.11 -0.22 0.40 -0.53 0.00 0.00 176.83 177.18 2cru h ILE 42 N 0.31 1.27 -0.02 2.23 2.04 -0.39 -1.86 117.51 121.10 2cru h ILE 42 Ca -0.03 -1.37 -0.15 0.00 1.00 0.00 0.00 64.86 64.31 2cru h ILE 42 Cb 1.32 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2cru h ILE 42 CO 0.13 0.47 -0.67 -0.07 0.00 0.00 0.00 178.15 178.01 2cru h LEU 43 N 0.81 0.09 -0.40 1.44 3.38 -0.65 -2.52 115.31 117.46 2cru h LEU 43 Ca 0.11 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2cru h LEU 43 Cb 0.78 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2cru h LEU 43 CO 0.06 0.73 -0.58 0.00 0.09 0.00 0.00 178.44 178.75 2cru h ALA 44 N 1.26 0.57 -0.22 1.53 0.00 -1.23 -0.10 119.26 121.08 2cru h ALA 44 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 2cru h ALA 44 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2cru h ALA 44 CO 0.09 0.69 -0.54 -0.56 0.00 0.00 0.00 179.25 178.93 2cru h GLN 45 N 0.52 0.67 0.00 0.00 3.07 -1.30 -3.02 115.11 115.05 2cru h GLN 45 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.33 2cru h GLN 45 Cb 1.15 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2cru h GLN 45 CO 0.12 1.04 -0.08 -0.39 0.09 0.00 0.00 178.83 179.60 2cru h VAL 46 N 0.51 0.00 -3.31 1.86 -1.51 -1.43 -3.41 116.25 108.96 2cru h VAL 46 Ca 0.01 -0.87 -0.66 0.00 -1.23 0.00 0.00 66.70 63.95 2cru h VAL 46 Cb 1.11 1.83 -0.29 0.00 -2.13 0.00 0.00 31.29 31.81 2cru h VAL 46 CO 0.11 0.00 -0.76 -0.76 -1.23 0.00 0.00 177.57 174.93 2cru s LEU 47 N -5.73 2.69 0.52 4.19 1.43 -0.05 -0.00 118.68 121.72 2cru s LEU 47 Ca 0.07 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2cru s LEU 47 Cb 0.07 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 2cru s LEU 47 CO 0.66 0.04 1.00 -0.62 0.23 0.00 0.00 176.35 177.66 2cru s ASP 48 N 1.11 6.48 0.32 2.29 2.15 -1.23 -4.63 116.67 123.17 2cru s ASP 48 Ca 0.01 1.65 0.22 0.00 0.43 0.00 0.00 52.55 54.86 2cru s ASP 48 Cb -0.14 -2.52 1.12 0.00 -0.30 0.00 0.00 42.92 41.07 2cru s ASP 48 CO -0.03 -0.68 1.21 1.67 -0.17 0.00 0.00 175.17 177.17 2cru n GLN 49 N -1.53 -0.03 0.00 4.34 7.27 -1.26 -0.89 117.38 125.28 2cru n GLN 49 Ca 0.07 0.99 0.00 0.00 0.07 0.00 0.00 57.00 58.13 2cru n GLN 49 Cb 0.54 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.28 2cru n GLN 49 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2cru n SER 50 N -4.38 0.00 -0.33 1.69 7.64 -1.26 -2.72 113.62 114.26 2cru n SER 50 Ca 0.31 0.88 0.18 0.00 1.01 0.00 0.00 58.87 61.25 2cru n SER 50 Cb 1.15 -0.38 0.43 0.00 -1.01 0.00 0.00 64.21 64.39 2cru n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cru h ALA 51 N -1.99 1.97 -0.58 -0.43 0.00 -1.29 -1.26 119.26 115.68 2cru h ALA 51 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2cru h ALA 51 Cb 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.66 2cru h ALA 51 CO 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 179.25 178.61 2cru h ARG 52 N 0.54 -0.12 0.17 0.00 2.47 -1.01 -0.06 114.38 116.38 2cru h ARG 52 Ca 0.59 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.32 2cru h ARG 52 Cb 1.23 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 2cru h ARG 52 CO -0.35 -0.08 -0.22 0.00 0.56 0.00 0.00 179.97 179.89 2cru h ALA 53 N 1.19 -0.41 -0.97 0.04 0.00 -1.02 -1.30 119.26 116.78 2cru h ALA 53 Ca 0.25 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.31 2cru h ALA 53 Cb 0.52 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 2cru h ALA 53 CO -0.65 -0.76 0.56 -0.09 0.00 0.00 0.00 179.25 178.31 2cru h ARG 54 N -0.44 0.64 0.27 0.00 9.65 -1.23 -0.70 114.38 122.58 2cru h ARG 54 Ca 0.01 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2cru h ARG 54 Cb 0.43 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2cru h ARG 54 CO -0.08 0.42 -0.13 1.25 2.80 0.00 0.00 179.97 184.23 2cru h LEU 55 N 0.65 -0.31 -1.92 3.80 5.85 -0.44 -2.32 115.31 120.62 2cru h LEU 55 Ca 0.58 0.01 0.43 0.00 0.84 0.00 0.00 57.88 59.75 2cru h LEU 55 Cb 0.98 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 2cru h LEU 55 CO -0.42 -0.17 1.05 -1.28 -0.34 0.00 0.00 178.44 177.28 2cru h SER 56 N -0.47 0.04 -0.23 1.25 0.87 -0.96 0.69 113.55 114.75 2cru h SER 56 Ca -0.04 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2cru h SER 56 Cb 0.28 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2cru h SER 56 CO 0.06 -0.01 -0.28 0.78 -0.53 0.00 0.00 176.83 176.85 2cru h ASN 57 N 0.03 0.65 -0.48 6.23 2.35 -1.02 -3.01 115.58 120.33 2cru h ASN 57 Ca 0.73 -0.50 0.14 0.00 -0.55 0.00 0.00 56.30 56.12 2cru h ASN 57 Cb 2.81 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 40.98 2cru h ASN 57 CO -0.06 1.01 0.35 0.25 -1.65 0.00 0.00 177.43 177.33 2cru h LEU 58 N 0.30 0.00 -1.86 1.61 6.46 0.98 0.43 115.31 123.23 2cru h LEU 58 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2cru h LEU 58 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2cru h LEU 58 CO 0.07 0.00 0.28 0.00 -0.62 0.00 0.00 178.44 178.17 2cru h ALA 59 N 1.76 1.27 -1.04 1.25 0.00 -1.36 -1.85 119.26 119.28 2cru h ALA 59 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cru h ALA 59 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2cru h ALA 59 CO -0.00 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.26 2cru n LEU 60 N -2.73 1.00 -0.28 0.00 4.77 0.14 -3.62 117.00 116.28 2cru n LEU 60 Ca -0.02 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 2cru n LEU 60 Cb 0.33 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2cru n LEU 60 CO 0.12 -0.33 0.65 -0.37 -1.33 0.00 0.00 177.39 176.14 2cru h VAL 61 N 0.00 0.14 -2.13 4.08 -1.51 -1.66 -3.39 116.25 111.78 2cru h VAL 61 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 2cru h VAL 61 Cb 0.00 0.14 -0.28 0.00 -2.13 0.00 0.00 31.29 29.03 2cru h VAL 61 CO 0.00 0.00 -0.40 -1.59 -1.23 0.00 0.00 177.57 174.35 2cru s LYS 62 N -6.10 0.36 -0.02 5.19 -2.85 -0.71 -5.06 119.74 110.55 2cru s LYS 62 Ca -0.14 0.84 -0.25 0.00 -1.00 0.00 0.00 55.97 55.41 2cru s LYS 62 Cb 0.20 0.03 -0.20 0.00 -2.06 0.00 0.00 37.83 35.81 2cru s LYS 62 CO 0.73 -0.44 1.22 -1.00 0.10 0.00 0.00 175.35 175.96 2cru h PRO 63 N 8.16 -0.06 -0.63 1.78 0.13 -1.72 -3.18 132.00 136.48 2cru h PRO 63 Ca -0.18 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2cru h PRO 63 Cb 1.13 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2cru h PRO 63 CO 0.19 0.41 -0.31 1.05 -0.23 0.00 0.00 178.00 179.11 2cru h GLU 64 N -0.55 -0.12 -0.73 0.86 4.11 -1.93 0.15 114.58 116.37 2cru h GLU 64 Ca -0.01 0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.57 2cru h GLU 64 Cb 0.49 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2cru h GLU 64 CO 0.01 -0.08 0.28 -0.22 0.07 0.00 0.00 179.01 179.07 2cru h LYS 65 N -0.13 0.41 0.28 1.06 1.63 -1.94 -2.37 116.57 115.51 2cru h LYS 65 Ca 0.26 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2cru h LYS 65 Cb 0.55 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 2cru h LYS 65 CO -0.71 0.27 -0.51 1.15 -3.45 0.00 0.00 179.45 176.21 2cru h THR 66 N 0.43 0.03 -0.20 1.00 2.02 -0.69 -2.73 112.91 112.77 2cru h THR 66 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 2cru h THR 66 Cb 0.60 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2cru h THR 66 CO -0.40 0.00 -0.23 0.11 0.37 0.00 0.00 175.52 175.37 2cru h LYS 67 N -0.85 -0.14 -0.72 6.66 1.57 -0.94 -1.90 116.57 120.25 2cru h LYS 67 Ca -0.02 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2cru h LYS 67 Cb 0.80 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 2cru h LYS 67 CO -0.19 -0.09 -0.40 0.00 -0.57 0.00 0.00 179.45 178.19 2cru n ALA 68 N -2.89 -0.40 -0.20 3.86 0.00 -1.04 0.10 120.51 119.94 2cru n ALA 68 Ca -0.01 0.63 -0.00 0.00 0.00 0.00 0.00 53.44 54.06 2cru n ALA 68 Cb 0.14 -0.14 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2cru n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cru h VAL 69 N 0.00 0.45 -0.25 0.00 2.07 -1.05 -0.25 116.25 117.21 2cru h VAL 69 Ca 0.14 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.70 2cru h VAL 69 Cb 0.32 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 2cru h VAL 69 CO -0.68 0.01 -0.18 -0.33 0.02 0.00 0.00 177.57 176.40 2cru h GLU 70 N 0.05 -0.17 -0.27 1.57 5.08 0.13 -0.08 114.58 120.90 2cru h GLU 70 Ca 0.30 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2cru h GLU 70 Cb 0.48 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2cru h GLU 70 CO -0.57 -0.11 0.17 -0.91 -1.00 0.00 0.00 179.01 176.58 2cru h ASN 71 N -0.17 0.32 0.70 1.42 2.35 -0.34 -2.25 115.58 117.61 2cru h ASN 71 Ca 0.14 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2cru h ASN 71 Cb 0.39 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.68 2cru h ASN 71 CO -0.36 0.25 -0.34 0.22 -1.65 0.00 0.00 177.43 175.56 2cru h TYR 72 N 0.38 -0.87 -0.79 1.19 3.20 0.63 -1.99 116.97 118.72 2cru h TYR 72 Ca 0.10 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.09 2cru h TYR 72 Cb -0.01 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2cru h TYR 72 CO 0.00 -0.51 0.52 -0.07 -1.64 0.00 0.00 178.16 176.46 2cru h LEU 73 N -1.11 0.49 0.45 2.82 3.38 -1.09 -2.31 115.31 117.94 2cru h LEU 73 Ca -0.10 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2cru h LEU 73 Cb 0.75 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2cru h LEU 73 CO 0.16 0.26 -0.21 0.40 0.09 0.00 0.00 178.44 179.13 2cru h ILE 74 N 0.53 0.00 -1.22 1.22 2.04 -1.24 0.16 117.51 118.99 2cru h ILE 74 Ca 0.38 -0.06 0.36 0.00 1.00 0.00 0.00 64.86 66.54 2cru h ILE 74 Cb 0.74 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 2cru h ILE 74 CO -0.14 0.00 0.82 0.06 0.00 0.00 0.00 178.15 178.89 2cru h GLN 75 N -0.66 0.18 -0.05 2.37 3.07 -1.11 0.36 115.11 119.27 2cru h GLN 75 Ca -0.06 -0.01 -0.16 0.00 0.09 0.00 0.00 58.65 58.51 2cru h GLN 75 Cb 0.46 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 27.99 2cru h GLN 75 CO 0.10 0.12 -0.59 0.52 0.09 0.00 0.00 178.83 179.07 2cru h MET 76 N 0.18 0.48 0.52 0.06 2.86 -1.24 -3.27 114.93 114.52 2cru h MET 76 Ca 0.68 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2cru h MET 76 Cb 2.16 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.93 2cru h MET 76 CO -0.25 1.10 -0.39 0.00 1.06 0.00 0.00 176.91 178.42 2cru h ALA 77 N 0.39 -1.14 -0.85 6.32 0.00 0.27 -2.13 119.26 122.12 2cru h ALA 77 Ca -0.06 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2cru h ALA 77 Cb 1.27 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 2cru h ALA 77 CO 0.12 -1.13 -0.50 0.54 0.00 0.00 0.00 179.25 178.28 2cru n ARG 78 N -4.83 -0.38 -0.34 0.00 1.74 -0.63 0.13 116.66 112.35 2cru n ARG 78 Ca -0.11 1.33 0.14 0.00 -0.77 0.00 0.00 57.85 58.45 2cru n ARG 78 Cb 0.38 -1.96 0.35 0.00 -1.02 0.00 0.00 32.46 30.21 2cru n ARG 78 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2cru h TYR 79 N 0.00 1.00 -0.22 -1.55 -1.99 -1.58 -3.46 116.97 109.17 2cru h TYR 79 Ca 0.14 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2cru h TYR 79 Cb 0.35 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2cru h TYR 79 CO -0.92 0.21 0.00 0.41 -0.00 0.00 0.00 178.16 177.86 2cru n GLY 80 N -1.35 0.58 0.02 3.88 0.00 0.36 -5.03 105.19 103.65 2cru n GLY 80 Ca 0.23 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2cru n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cru n GLN 81 N -0.11 0.68 0.00 1.61 1.13 -1.08 -4.74 117.38 114.87 2cru n GLN 81 Ca 0.00 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2cru n GLN 81 Cb 0.05 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2cru n GLN 81 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2cru n LEU 82 N -2.24 0.82 -2.37 1.08 4.32 -1.26 -4.96 117.00 112.40 2cru n LEU 82 Ca -0.08 0.22 -0.20 0.00 -0.02 0.00 0.00 56.01 55.93 2cru n LEU 82 Cb 0.59 -0.31 -0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2cru n LEU 82 CO 0.39 -0.31 -0.21 -1.20 -1.22 0.00 0.00 177.39 174.84 2cru n SER 83 N -1.62 -5.71 -3.35 -1.43 7.64 -1.26 -4.92 113.62 102.96 2cru n SER 83 Ca 0.00 -0.07 -0.02 0.00 1.01 0.00 0.00 58.87 59.79 2cru n SER 83 Cb 0.00 -4.70 0.02 0.00 -1.01 0.00 0.00 64.21 58.52 2cru n SER 83 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2cru n GLU 84 N -3.08 0.58 -3.38 1.43 0.28 -1.26 -5.12 120.64 110.09 2cru n GLU 84 Ca -0.21 -1.38 -0.45 0.00 -0.16 0.00 0.00 57.16 54.97 2cru n GLU 84 Cb 0.67 1.90 -0.07 0.00 1.43 0.00 0.00 31.44 35.36 2cru n GLU 84 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2cru s LYS 85 N -2.05 2.98 0.28 3.44 1.02 -1.26 -4.53 119.74 119.62 2cru s LYS 85 Ca 0.24 -1.37 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 2cru s LYS 85 Cb -0.03 -4.14 -0.14 0.00 -0.52 0.00 0.00 37.83 33.00 2cru s LYS 85 CO 0.05 -1.05 1.04 0.28 -0.92 0.00 0.00 175.35 174.75 2cru n VAL 86 N 5.21 1.87 -3.58 3.17 0.31 1.00 -4.72 118.33 121.59 2cru n VAL 86 Ca -0.12 -0.47 -0.31 0.00 -0.01 0.00 0.00 64.34 63.43 2cru n VAL 86 Cb 0.43 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.30 2cru n VAL 86 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2cru s SER 87 N -0.48 6.51 0.30 4.52 0.01 -1.26 -3.47 113.70 119.83 2cru s SER 87 Ca 0.60 0.66 0.04 0.00 1.31 0.00 0.00 55.95 58.56 2cru s SER 87 Cb -0.71 -2.12 0.80 0.00 0.21 0.00 0.00 66.02 64.20 2cru s SER 87 CO 0.59 -0.01 1.48 1.21 0.41 0.00 0.00 173.24 176.93 2cru n GLU 88 N -0.12 -0.07 -0.18 12.44 4.07 -1.26 0.12 120.64 135.64 2cru n GLU 88 Ca -0.02 1.40 -0.02 0.00 -0.06 0.00 0.00 57.16 58.46 2cru n GLU 88 Cb 0.52 -2.26 0.08 0.00 -0.06 0.00 0.00 31.44 29.72 2cru n GLU 88 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2cru h GLN 89 N 0.00 0.38 0.07 5.31 -0.00 -2.01 -1.71 115.11 117.16 2cru h GLN 89 Ca 0.60 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 59.23 2cru h GLN 89 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.70 2cru h GLN 89 CO -0.87 0.25 -0.04 0.78 0.00 0.00 0.00 178.83 178.96 2cru h GLY 90 N 0.39 -0.10 0.12 2.39 0.00 0.58 -3.13 103.07 103.31 2cru h GLY 90 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2cru h GLY 90 CO -0.26 -0.04 -0.32 -2.00 0.00 0.00 0.00 176.54 173.92 2cru h LEU 91 N -0.24 -0.96 -0.74 3.11 5.85 -1.02 -0.25 115.31 121.06 2cru h LEU 91 Ca -0.01 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.97 2cru h LEU 91 Cb 0.20 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 2cru h LEU 91 CO 0.02 -0.36 -0.13 -0.38 -0.34 0.00 0.00 178.44 177.25 2cru n ILE 92 N -4.30 -0.31 0.06 4.05 5.41 -0.67 0.73 119.36 124.33 2cru n ILE 92 Ca -0.06 1.67 -0.13 0.00 1.00 0.00 0.00 62.75 65.24 2cru n ILE 92 Cb 0.26 -2.35 -0.09 0.00 -0.71 0.00 0.00 39.64 36.76 2cru n ILE 92 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2cru h GLU 93 N 0.00 -0.15 -0.95 0.38 4.39 -1.35 -3.08 114.58 113.82 2cru h GLU 93 Ca 0.38 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.33 2cru h GLU 93 Cb 0.64 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.20 2cru h GLU 93 CO -0.74 0.17 0.49 0.82 -1.16 0.00 0.00 179.01 178.59 2cru h ILE 94 N -0.47 0.47 -0.78 3.13 2.04 0.21 0.13 117.51 122.24 2cru h ILE 94 Ca -0.02 -0.16 0.17 0.00 1.00 0.00 0.00 64.86 65.85 2cru h ILE 94 Cb 0.39 -0.03 -0.11 0.00 -0.74 0.00 0.00 36.82 36.33 2cru h ILE 94 CO 0.03 0.08 0.27 -0.07 0.00 0.00 0.00 178.15 178.46 2cru h LEU 95 N 0.46 0.18 -2.45 1.44 3.38 -0.91 0.63 115.31 118.04 2cru h LEU 95 Ca 0.62 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.64 2cru h LEU 95 Cb 1.20 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 2cru h LEU 95 CO -0.52 0.02 0.10 0.29 0.09 0.00 0.00 178.44 178.43 2cru n LYS 96 N -5.08 2.43 -0.01 1.13 4.01 0.45 -3.95 118.16 117.14 2cru n LYS 96 Ca 0.16 -1.46 -0.02 0.00 -0.51 0.00 0.00 58.31 56.48 2cru n LYS 96 Cb 0.49 -1.76 -0.01 0.00 -0.51 0.00 0.00 35.03 33.24 2cru n LYS 96 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2cru n LYS 97 N 0.10 0.05 0.28 1.97 4.76 0.21 -4.67 118.16 120.86 2cru n LYS 97 Ca 0.18 0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 2cru n LYS 97 Cb 0.82 -0.79 0.80 0.00 -1.84 0.00 0.00 35.03 34.02 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2cru h VAL 98 N -0.05 0.69 -0.01 -0.18 3.04 -1.43 -2.67 116.25 115.65 2cru h VAL 98 Ca -0.05 -0.12 0.02 0.00 -1.01 0.00 0.00 66.70 65.53 2cru h VAL 98 Cb 1.06 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2cru h VAL 98 CO -0.02 0.03 -0.10 -1.28 -1.01 0.00 0.00 177.57 175.19 2cru h SER 99 N 0.00 -0.29 -0.28 3.17 0.87 -1.83 -2.86 113.55 112.32 2cru h SER 99 Ca -0.00 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2cru h SER 99 Cb 0.07 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2cru h SER 99 CO 0.00 -0.15 0.12 1.56 -0.53 0.00 0.00 176.83 177.84 2cru h GLN 100 N -0.17 0.42 -6.40 2.24 1.08 -1.77 -3.44 115.11 107.07 2cru h GLN 100 Ca 0.04 -0.07 -0.62 0.00 -1.45 0.00 0.00 58.65 56.55 2cru h GLN 100 Cb 0.22 -0.07 0.11 0.00 -0.05 0.00 0.00 27.48 27.69 2cru h GLN 100 CO -0.11 0.44 0.02 0.94 -0.95 0.00 0.00 178.83 179.17 2cru n GLN 101 N -4.76 1.14 -1.22 1.46 0.00 -1.08 -4.84 117.38 108.08 2cru n GLN 101 Ca -0.02 0.40 -0.38 0.00 -0.00 0.00 0.00 57.00 57.00 2cru n GLN 101 Cb 0.13 -1.71 0.03 0.00 0.00 0.00 0.00 30.24 28.69 2cru n GLN 101 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2cru n THR 102 N 0.18 0.66 -3.83 1.69 5.66 -1.26 -4.97 114.28 112.39 2cru n THR 102 Ca 0.11 -0.47 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 2cru n THR 102 Cb 0.31 -0.25 -0.13 0.00 -1.55 0.00 0.00 70.33 68.70 2cru n THR 102 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2cru s GLU 103 N -1.77 0.12 0.61 1.09 2.12 -1.25 -5.04 118.70 114.57 2cru s GLU 103 Ca 0.57 0.15 -0.18 0.00 0.36 0.00 0.00 54.97 55.86 2cru s GLU 103 Cb -0.39 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.03 2cru s GLU 103 CO 0.66 -0.01 1.21 0.15 -0.54 0.00 0.00 175.26 176.73 2cru s LYS 104 N 0.06 2.88 0.31 4.30 -0.14 -1.26 -4.82 119.74 121.06 2cru s LYS 104 Ca -0.00 1.81 0.08 0.00 -1.36 0.00 0.00 55.97 56.50 2cru s LYS 104 Cb -0.01 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 2cru s LYS 104 CO 0.00 -1.27 0.21 -0.08 -0.76 0.00 0.00 175.35 173.45 2cru s THR 105 N -1.65 3.69 0.23 2.17 -1.32 -1.26 -4.85 115.64 112.65 2cru s THR 105 Ca 0.77 -1.48 -0.04 0.00 -1.21 0.00 0.00 61.69 59.73 2cru s THR 105 Cb -0.30 -3.18 0.01 0.00 -1.51 0.00 0.00 72.50 67.52 2cru s THR 105 CO 0.35 -0.24 0.36 0.35 -2.21 0.00 0.00 174.62 173.23 2cru n THR 106 N -1.24 0.00 -3.69 5.08 -2.24 -1.26 -5.02 114.28 105.91 2cru n THR 106 Ca -0.04 -0.98 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 2cru n THR 106 Cb 0.59 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 2cru n THR 106 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2cru s THR 107 N -2.61 5.28 0.37 4.28 -1.32 -1.24 -4.82 115.64 115.59 2cru s THR 107 Ca 0.16 0.51 -0.27 0.00 -1.21 0.00 0.00 61.69 60.88 2cru s THR 107 Cb -0.01 -3.55 -0.09 0.00 -1.51 0.00 0.00 72.50 67.33 2cru s THR 107 CO 0.11 0.58 1.23 0.54 -2.21 0.00 0.00 174.62 174.88 2cru s VAL 108 N -0.94 2.94 -0.18 5.08 0.11 -1.26 -4.20 120.40 121.95 2cru s VAL 108 Ca 0.19 0.86 0.18 0.00 -2.93 0.00 0.00 61.98 60.28 2cru s VAL 108 Cb -0.14 -3.51 -0.26 0.00 -1.53 0.00 0.00 36.38 30.94 2cru s VAL 108 CO 0.08 0.14 0.11 2.29 -3.33 0.00 0.00 175.10 174.39 2cru n LYS 109 N 0.38 0.69 -3.54 1.54 2.85 -1.26 -5.01 118.16 113.81 2cru n LYS 109 Ca 0.03 -0.02 -0.07 0.00 -1.05 0.00 0.00 58.31 57.20 2cru n LYS 109 Cb 0.44 -1.53 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 2cru n LYS 109 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2cru s PHE 110 N -2.57 -0.27 -0.08 5.58 5.36 -1.26 -5.13 117.98 119.62 2cru s PHE 110 Ca -0.10 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 2cru s PHE 110 Cb 0.07 0.53 0.01 0.00 -0.34 0.00 0.00 43.02 43.29 2cru s PHE 110 CO 0.84 -0.41 -0.15 -0.80 -1.46 0.00 0.00 175.22 173.24 2cru s ASN 111 N -2.34 2.13 -0.04 6.13 0.01 -1.26 -5.13 114.94 114.43 2cru s ASN 111 Ca 0.06 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2cru s ASN 111 Cb -0.01 -0.97 -0.04 0.00 0.41 0.00 0.00 41.25 40.64 2cru s ASN 111 CO -0.07 0.05 0.06 -0.60 -1.51 0.00 0.00 177.10 175.03 2cru s ARG 112 N 0.70 3.08 -0.19 -0.60 3.52 -1.26 -5.10 118.95 119.09 2cru s ARG 112 Ca -0.13 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 54.98 2cru s ARG 112 Cb -0.16 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2cru s ARG 112 CO 0.03 0.68 0.05 -1.12 -0.81 0.00 0.00 175.30 174.13 2cru s SER 113 N -1.40 5.36 0.39 -2.12 0.01 -1.26 -5.11 113.70 109.58 2cru s SER 113 Ca 0.19 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.50 2cru s SER 113 Cb -0.12 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2cru s SER 113 CO 0.09 0.12 0.26 -0.83 0.41 0.00 0.00 173.24 173.30 2cru s GLY 114 N 0.67 2.09 0.38 3.44 0.00 -1.26 -5.10 107.32 107.53 2cru s GLY 114 Ca 0.02 -1.89 -0.26 0.00 0.00 0.00 0.00 44.72 42.59 2cru s GLY 114 CO 0.02 -1.75 1.20 2.56 0.00 0.00 0.00 173.10 175.13 2cru s PRO 115 N -3.99 4.15 -0.05 2.90 0.04 -1.26 -4.98 135.00 131.81 2cru s PRO 115 Ca 0.43 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 2cru s PRO 115 Cb -0.02 -2.80 -0.22 0.00 0.04 0.00 0.00 34.50 31.51 2cru s PRO 115 CO 0.25 -0.27 1.12 0.66 0.04 0.00 0.00 177.00 178.81 2cru h SER 116 N 2.87 0.05 -0.55 6.66 4.64 -2.07 -3.28 113.55 121.87 2cru h SER 116 Ca -0.49 -0.64 0.11 0.00 -0.47 0.00 0.00 61.79 60.30 2cru h SER 116 Cb 1.23 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 63.20 2cru h SER 116 CO 0.63 0.68 -0.14 0.28 -0.87 0.00 0.00 176.83 177.41 2cru h SER 117 N -0.59 -0.53 0.00 4.97 0.02 -2.08 -3.58 113.55 111.77 2cru h SER 117 Ca -0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2cru h SER 117 Cb 0.68 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2cru h SER 117 CO 0.01 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.12