#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 -0.44 -0.61 1.61 0.15 -1.26 -5.09 113.70 108.06 2cru s SER 2 Ca 0.00 0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.75 2cru s SER 2 Cb 0.00 0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 64.69 2cru s SER 2 CO 0.00 -0.58 2.27 -0.55 1.20 0.00 0.00 173.24 175.58 2cru s SER 3 N -1.43 4.53 0.00 5.45 0.15 -1.26 -4.53 113.70 116.61 2cru s SER 3 Ca -0.10 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2cru s SER 3 Cb -0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2cru s SER 3 CO 0.05 -2.98 0.00 0.61 1.20 0.00 0.00 173.24 172.12 2cru n GLY 4 N 6.17 2.99 3.80 9.45 0.00 -1.26 -5.13 105.19 121.22 2cru n GLY 4 Ca 0.36 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2cru n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cru s SER 5 N 0.00 6.70 0.21 1.61 0.15 -1.26 -5.07 113.70 116.04 2cru s SER 5 Ca 0.00 0.83 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 2cru s SER 5 Cb 0.00 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2cru s SER 5 CO 0.00 0.24 0.64 -0.44 1.20 0.00 0.00 173.24 174.89 2cru s SER 6 N -0.56 -0.42 0.29 5.45 0.01 -1.26 -5.19 113.70 112.03 2cru s SER 6 Ca 0.22 -0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 2cru s SER 6 Cb -0.16 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2cru s SER 6 CO 0.11 -1.13 0.51 -0.83 0.41 0.00 0.00 173.24 172.30 2cru s GLY 7 N -2.83 0.84 -0.46 3.44 0.00 -1.26 -5.10 107.32 101.96 2cru s GLY 7 Ca 0.06 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 43.77 2cru s GLY 7 CO -0.04 -0.72 0.66 1.47 0.00 0.00 0.00 173.10 174.46 2cru n LEU 8 N -0.46 1.50 -3.10 0.66 -0.00 -1.26 -4.90 117.00 109.44 2cru n LEU 8 Ca -0.02 -5.02 -0.22 0.00 -0.00 0.00 0.00 56.01 50.76 2cru n LEU 8 Cb 0.62 0.27 0.01 0.00 -0.00 0.00 0.00 43.42 44.32 2cru n LEU 8 CO 0.25 2.15 -0.04 0.54 -0.00 0.00 0.00 177.39 180.29 2cru n ARG 9 N 0.87 -3.93 -3.71 1.47 5.12 -1.26 -4.95 116.66 110.26 2cru n ARG 9 Ca 0.25 0.70 -0.13 0.00 -1.93 0.00 0.00 57.85 56.74 2cru n ARG 9 Cb 0.52 -5.47 -0.09 0.00 -1.16 0.00 0.00 32.46 26.26 2cru n ARG 9 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2cru s ARG 10 N -5.76 0.55 0.35 5.56 0.52 -1.26 -5.17 118.95 113.74 2cru s ARG 10 Ca 0.31 0.67 0.08 0.00 -0.52 0.00 0.00 55.73 56.27 2cru s ARG 10 Cb -0.15 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 2cru s ARG 10 CO 0.38 -0.07 0.21 -0.65 0.02 0.00 0.00 175.30 175.19 2cru s GLN 11 N 0.30 2.46 0.47 3.54 -1.52 -1.26 -4.91 119.66 118.74 2cru s GLN 11 Ca -0.00 -1.51 0.05 0.00 -1.95 0.00 0.00 55.36 51.95 2cru s GLN 11 Cb -0.03 -2.25 -0.02 0.00 -0.22 0.00 0.00 33.01 30.48 2cru s GLN 11 CO 0.00 0.05 0.19 -0.98 -0.25 0.00 0.00 175.29 174.30 2cru s ARG 12 N -3.92 2.21 -0.05 2.91 3.03 -1.26 -5.15 118.95 116.72 2cru s ARG 12 Ca 0.40 -2.05 -0.31 0.00 2.03 0.00 0.00 55.73 55.80 2cru s ARG 12 Cb -0.03 -1.89 0.12 0.00 -1.03 0.00 0.00 34.95 32.12 2cru s ARG 12 CO 0.24 -0.32 1.16 -0.48 -1.13 0.00 0.00 175.30 174.78 2cru s LEU 13 N -3.99 -0.14 -0.22 -1.89 2.34 -1.26 -5.19 118.68 108.33 2cru s LEU 13 Ca 0.30 -0.11 -0.31 0.00 0.06 0.00 0.00 54.13 54.06 2cru s LEU 13 Cb 0.02 1.58 0.16 0.00 -0.56 0.00 0.00 46.19 47.39 2cru s LEU 13 CO 0.17 -0.41 1.20 0.00 -1.06 0.00 0.00 176.35 176.26 2cru s ALA 14 N -2.64 -2.05 0.11 1.48 0.00 -1.26 -5.19 121.76 112.21 2cru s ALA 14 Ca 0.11 1.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 2cru s ALA 14 Cb 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.36 2cru s ALA 14 CO -0.04 -0.39 0.35 -1.83 0.00 0.00 0.00 175.76 173.86 2cru s GLU 15 N -1.56 1.00 -0.45 0.00 -1.05 -1.26 -4.60 118.70 110.79 2cru s GLU 15 Ca 0.06 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.17 2cru s GLU 15 Cb -0.01 0.44 0.12 0.00 -0.44 0.00 0.00 34.13 34.24 2cru s GLU 15 CO -0.04 -0.37 0.19 -0.51 0.95 0.00 0.00 175.26 175.48 2cru s LEU 16 N -2.74 4.68 0.36 1.83 1.43 -1.26 -4.95 118.68 118.02 2cru s LEU 16 Ca 0.03 -2.58 0.04 0.00 -1.03 0.00 0.00 54.13 50.59 2cru s LEU 16 Cb 0.02 -1.68 0.70 0.00 0.03 0.00 0.00 46.19 45.26 2cru s LEU 16 CO -0.11 -0.33 2.00 0.06 0.23 0.00 0.00 176.35 178.20 2cru h GLN 17 N 7.13 0.77 -1.40 1.70 -0.00 -2.06 -3.45 115.11 117.80 2cru h GLN 17 Ca -0.06 -0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.67 2cru h GLN 17 Cb 0.96 -0.17 -0.25 0.00 -0.00 0.00 0.00 27.48 28.02 2cru h GLN 17 CO 0.63 0.51 0.67 0.00 -0.00 0.00 0.00 178.83 180.64 2cru s ALA 18 N -5.68 -2.00 -0.78 0.06 0.00 -1.26 -5.11 121.76 107.00 2cru s ALA 18 Ca -0.10 1.70 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 2cru s ALA 18 Cb 0.18 -1.02 0.12 0.00 0.00 0.00 0.00 23.12 22.40 2cru s ALA 18 CO 0.76 -0.28 0.95 0.15 0.00 0.00 0.00 175.76 177.35 2cru s LYS 19 N -0.98 3.35 -0.52 0.00 3.01 -1.26 -4.88 119.74 118.46 2cru s LYS 19 Ca 0.02 -1.51 0.04 0.00 -1.01 0.00 0.00 55.97 53.51 2cru s LYS 19 Cb -0.01 -4.55 0.41 0.00 -1.01 0.00 0.00 37.83 32.67 2cru s LYS 19 CO -0.02 -1.68 1.31 -2.39 0.51 0.00 0.00 175.35 173.08 2cru n HIS 20 N 6.52 3.29 -0.47 3.18 1.44 -1.26 -4.83 115.22 123.09 2cru n HIS 20 Ca 0.08 -2.91 0.00 0.00 -2.01 0.00 0.00 57.72 52.88 2cru n HIS 20 Cb 0.46 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2cru n HIS 20 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2cru n GLY 21 N -0.51 0.55 3.82 -1.39 0.00 -1.26 -5.12 105.19 101.27 2cru n GLY 21 Ca 0.43 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2cru n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cru s ASP 22 N -1.59 5.38 0.00 1.61 1.11 -1.26 -4.99 116.67 116.92 2cru s ASP 22 Ca 0.00 -0.35 0.13 0.00 0.18 0.00 0.00 52.55 52.52 2cru s ASP 22 Cb 0.00 -1.25 0.79 0.00 1.07 0.00 0.00 42.92 43.53 2cru s ASP 22 CO 0.00 -0.11 1.22 -0.81 1.18 0.00 0.00 175.17 176.64 2cru n PRO 23 N -1.20 0.49 -0.27 8.23 -0.04 -1.26 -4.07 135.00 136.87 2cru n PRO 23 Ca -0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2cru n PRO 23 Cb 0.58 -1.43 0.13 0.00 -0.04 0.00 0.00 33.50 32.75 2cru n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cru n GLY 24 N -0.03 -1.21 0.34 0.55 0.00 -1.26 0.24 105.19 103.82 2cru n GLY 24 Ca 0.10 0.79 0.01 0.00 0.00 0.00 0.00 46.02 46.92 2cru n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cru n ASP 25 N -5.19 -0.51 -0.34 1.61 9.92 -1.26 0.17 116.55 120.95 2cru n ASP 25 Ca 0.13 1.56 0.19 0.00 -0.53 0.00 0.00 54.79 56.14 2cru n ASP 25 Cb 0.43 -0.39 0.41 0.00 -0.64 0.00 0.00 41.12 40.92 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cru h ALA 26 N 1.39 1.81 0.00 2.24 0.00 -0.56 -1.36 119.26 122.78 2cru h ALA 26 Ca 0.34 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2cru h ALA 26 Cb 0.57 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2cru h ALA 26 CO -0.90 -0.37 -0.06 0.00 0.00 0.00 0.00 179.25 177.92 2cru h ALA 27 N 1.77 0.01 -0.87 0.00 0.00 0.16 -3.34 119.26 116.99 2cru h ALA 27 Ca 0.66 -0.52 0.13 0.00 0.00 0.00 0.00 54.91 55.19 2cru h ALA 27 Cb 1.35 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 2cru h ALA 27 CO -0.52 0.03 -0.41 0.37 0.00 0.00 0.00 179.25 178.72 2cru h GLN 28 N -1.00 -0.06 -1.01 0.00 -0.00 0.30 1.06 115.11 114.40 2cru h GLN 28 Ca -0.02 0.00 0.26 0.00 -0.00 0.00 0.00 58.65 58.90 2cru h GLN 28 Cb 0.98 0.01 -0.08 0.00 0.00 0.00 0.00 27.48 28.40 2cru h GLN 28 CO -0.01 -0.04 0.67 -0.56 0.00 0.00 0.00 178.83 178.89 2cru h GLN 29 N -0.06 0.31 -0.00 1.69 3.07 -1.43 0.28 115.11 118.97 2cru h GLN 29 Ca 0.28 -0.02 -0.15 0.00 0.09 0.00 0.00 58.65 58.85 2cru h GLN 29 Cb 0.56 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 28.07 2cru h GLN 29 CO -0.89 0.21 -0.59 0.93 0.09 0.00 0.00 178.83 178.57 2cru h GLU 30 N 0.32 0.41 0.26 0.06 5.08 0.93 -3.25 114.58 118.39 2cru h GLU 30 Ca 0.54 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2cru h GLU 30 Cb 1.52 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.86 2cru h GLU 30 CO -0.21 1.10 -0.47 0.00 -1.00 0.00 0.00 179.01 178.43 2cru h ALA 31 N 0.32 -0.93 -1.19 3.43 0.00 0.11 -0.97 119.26 120.03 2cru h ALA 31 Ca -0.07 -0.12 0.34 0.00 0.00 0.00 0.00 54.91 55.05 2cru h ALA 31 Cb 1.30 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 2cru h ALA 31 CO 0.12 -1.08 0.82 1.57 0.00 0.00 0.00 179.25 180.68 2cru h LYS 32 N -0.80 0.13 0.23 0.00 2.10 -1.45 0.64 116.57 117.42 2cru h LYS 32 Ca -0.02 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2cru h LYS 32 Cb 0.76 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2cru h LYS 32 CO -0.18 0.09 -0.11 1.25 -2.00 0.00 0.00 179.45 178.50 2cru h HIS 33 N 0.14 -0.28 -0.76 0.07 2.76 -1.21 -3.01 115.15 112.85 2cru h HIS 33 Ca 0.62 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.94 2cru h HIS 33 Cb 2.13 0.09 -0.14 0.00 1.55 0.00 0.00 27.41 31.04 2cru h HIS 33 CO -0.00 -0.11 -0.15 0.00 -1.30 0.00 0.00 177.93 176.37 2cru h ARG 34 N -0.39 0.01 -1.45 5.26 2.47 -0.62 0.36 114.38 120.02 2cru h ARG 34 Ca -0.03 -0.00 0.49 0.00 -1.26 0.00 0.00 59.98 59.18 2cru h ARG 34 Cb 0.30 -0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.49 2cru h ARG 34 CO 0.05 0.01 0.95 -1.91 0.56 0.00 0.00 179.97 179.64 2cru n GLU 35 N -5.47 -0.03 0.09 0.04 2.13 -1.14 0.22 120.64 116.47 2cru n GLU 35 Ca 0.11 1.22 -0.17 0.00 0.66 0.00 0.00 57.16 58.98 2cru n GLU 35 Cb 0.40 -2.45 -0.14 0.00 0.27 0.00 0.00 31.44 29.52 2cru n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cru h ALA 36 N 1.49 0.17 0.15 4.31 0.00 -0.40 -3.21 119.26 121.77 2cru h ALA 36 Ca 0.88 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2cru h ALA 36 Cb 2.95 0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.89 2cru h ALA 36 CO -0.40 1.04 -0.07 0.93 0.00 0.00 0.00 179.25 180.75 2cru h GLU 37 N 0.08 -0.20 -0.53 0.00 5.08 0.29 -0.22 114.58 119.08 2cru h GLU 37 Ca -0.20 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2cru h GLU 37 Cb 2.01 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.24 2cru h GLU 37 CO 0.19 0.01 0.19 0.00 -1.00 0.00 0.00 179.01 178.40 2cru h MET 38 N -0.38 0.36 0.40 2.33 -0.00 -1.14 -2.41 114.93 114.09 2cru h MET 38 Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2cru h MET 38 Cb 0.30 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 2cru h MET 38 CO 0.03 0.24 -0.19 0.00 -0.00 0.00 0.00 176.91 176.99 2cru h ARG 39 N 0.37 -0.52 -0.67 -0.10 3.08 -1.53 -2.57 114.38 112.44 2cru h ARG 39 Ca 0.26 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.40 2cru h ARG 39 Cb 0.28 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 2cru h ARG 39 CO -0.26 -0.35 -0.39 0.09 -1.07 0.00 0.00 179.97 177.99 2cru n ASN 40 N -3.68 -0.71 0.03 7.04 3.02 -0.10 -0.59 115.26 120.28 2cru n ASN 40 Ca -0.07 1.24 -0.13 0.00 -0.03 0.00 0.00 54.58 55.60 2cru n ASN 40 Cb 0.21 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 2cru n ASN 40 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2cru h SER 41 N 0.00 -1.34 -1.06 6.41 0.87 -1.49 -0.27 113.55 116.67 2cru h SER 41 Ca 0.11 0.15 0.33 0.00 -1.23 0.00 0.00 61.79 61.15 2cru h SER 41 Cb 0.27 0.51 -0.14 0.00 -0.44 0.00 0.00 62.40 62.61 2cru h SER 41 CO -0.63 -0.41 0.63 0.40 -0.53 0.00 0.00 176.83 176.29 2cru h ILE 42 N -0.52 0.32 -0.53 2.23 2.04 -0.41 0.77 117.51 121.41 2cru h ILE 42 Ca 0.01 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2cru h ILE 42 Cb 0.57 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2cru h ILE 42 CO -0.30 0.06 -0.06 -0.07 0.00 0.00 0.00 178.15 177.77 2cru h LEU 43 N 0.31 0.93 -0.45 1.44 3.38 0.73 0.59 115.31 122.24 2cru h LEU 43 Ca 0.72 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 2cru h LEU 43 Cb 1.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2cru h LEU 43 CO -0.52 1.03 -0.43 0.00 0.09 0.00 0.00 178.44 178.61 2cru h ALA 44 N 1.06 0.82 0.05 1.53 0.00 0.17 -0.23 119.26 122.66 2cru h ALA 44 Ca 0.15 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.41 2cru h ALA 44 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2cru h ALA 44 CO 0.04 0.54 -1.27 1.96 0.00 0.00 0.00 179.25 180.52 2cru h GLN 45 N 0.00 0.10 0.01 0.00 4.20 -0.26 -3.33 115.11 115.84 2cru h GLN 45 Ca -0.00 -0.17 -0.27 0.00 0.06 0.00 0.00 58.65 58.26 2cru h GLN 45 Cb 1.15 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 2cru h GLN 45 CO 0.06 0.98 -1.47 -0.39 -0.67 0.00 0.00 178.83 177.34 2cru h VAL 46 N 0.03 1.15 -2.88 -0.54 -1.51 -0.88 -3.43 116.25 108.18 2cru h VAL 46 Ca -0.13 -2.94 -0.48 0.00 -1.23 0.00 0.00 66.70 61.93 2cru h VAL 46 Cb 1.90 2.59 0.01 0.00 -2.13 0.00 0.00 31.29 33.66 2cru h VAL 46 CO 0.14 0.68 -0.15 -0.76 -1.23 0.00 0.00 177.57 176.25 2cru s LEU 47 N -6.39 3.94 0.31 4.19 1.43 -0.10 -0.14 118.68 121.93 2cru s LEU 47 Ca -0.04 0.49 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 2cru s LEU 47 Cb 0.08 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 2cru s LEU 47 CO 0.82 -0.36 -0.06 -0.62 0.23 0.00 0.00 176.35 176.37 2cru s ASP 48 N -4.06 4.01 0.42 2.29 2.15 -0.83 -4.67 116.67 115.99 2cru s ASP 48 Ca 0.41 -0.98 0.29 0.00 0.43 0.00 0.00 52.55 52.70 2cru s ASP 48 Cb -0.10 -0.49 1.43 0.00 -0.30 0.00 0.00 42.92 43.46 2cru s ASP 48 CO 0.37 -0.12 1.59 -0.61 -0.17 0.00 0.00 175.17 176.23 2cru h GLN 49 N 1.98 0.04 0.55 4.34 4.15 -1.93 0.75 115.11 124.98 2cru h GLN 49 Ca -0.42 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.97 2cru h GLN 49 Cb 1.25 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.94 2cru h GLN 49 CO 0.65 0.03 -0.26 0.77 -1.93 0.00 0.00 178.83 178.08 2cru h SER 50 N 0.04 -0.63 -0.25 -0.69 0.02 -1.95 -3.12 113.55 106.98 2cru h SER 50 Ca 0.85 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.88 2cru h SER 50 Cb 2.60 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 65.25 2cru h SER 50 CO -0.52 -0.41 -0.11 0.00 -1.14 0.00 0.00 176.83 174.65 2cru h ALA 51 N -1.58 0.11 -0.77 3.77 0.00 -1.15 -2.65 119.26 116.98 2cru h ALA 51 Ca -0.08 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2cru h ALA 51 Cb 0.57 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 2cru h ALA 51 CO 0.12 -0.51 -0.35 0.54 0.00 0.00 0.00 179.25 179.05 2cru n ARG 52 N -5.27 -0.23 0.09 0.00 5.12 0.05 -0.44 116.66 115.97 2cru n ARG 52 Ca -0.01 1.17 -0.09 0.00 -1.93 0.00 0.00 57.85 57.00 2cru n ARG 52 Cb 0.19 -1.74 -0.05 0.00 -1.16 0.00 0.00 32.46 29.70 2cru n ARG 52 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cru h ALA 53 N 0.84 -0.84 -0.54 7.54 0.00 -1.41 0.25 119.26 125.11 2cru h ALA 53 Ca 0.22 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2cru h ALA 53 Cb 0.41 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 2cru h ALA 53 CO -0.75 -0.89 -0.39 -0.09 0.00 0.00 0.00 179.25 177.13 2cru h ARG 54 N -0.42 -0.21 -0.40 0.00 9.65 -0.97 -0.51 114.38 121.51 2cru h ARG 54 Ca -0.01 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2cru h ARG 54 Cb 0.40 0.05 -0.09 0.00 -1.39 0.00 0.00 29.97 28.94 2cru h ARG 54 CO -0.11 -0.14 -0.21 1.25 2.80 0.00 0.00 179.97 183.56 2cru h LEU 55 N -0.22 -0.71 0.27 3.80 5.85 -0.54 0.23 115.31 123.99 2cru h LEU 55 Ca 0.19 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2cru h LEU 55 Cb 0.56 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2cru h LEU 55 CO -0.66 -0.24 -0.52 0.28 -0.34 0.00 0.00 178.44 176.96 2cru h SER 56 N -0.14 -1.52 -0.99 1.25 0.02 0.55 -1.79 113.55 110.94 2cru h SER 56 Ca 0.20 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.42 2cru h SER 56 Cb 0.44 0.54 -0.09 0.00 0.14 0.00 0.00 62.40 63.43 2cru h SER 56 CO -0.49 -0.60 0.61 -1.13 -1.14 0.00 0.00 176.83 174.08 2cru h ASN 57 N -0.86 0.87 -0.03 3.07 -1.24 -0.74 0.20 115.58 116.86 2cru h ASN 57 Ca -0.03 0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.05 2cru h ASN 57 Cb 0.81 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2cru h ASN 57 CO -0.20 0.44 0.04 0.25 -1.29 0.00 0.00 177.43 176.67 2cru h LEU 58 N 0.93 0.00 -1.24 0.34 6.46 0.25 0.09 115.31 122.14 2cru h LEU 58 Ca 0.50 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.20 2cru h LEU 58 Cb 0.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2cru h LEU 58 CO -0.29 0.00 -0.29 0.00 -0.62 0.00 0.00 178.44 177.24 2cru h ALA 59 N 1.95 1.12 0.11 1.25 0.00 0.21 -0.32 119.26 123.59 2cru h ALA 59 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2cru h ALA 59 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2cru h ALA 59 CO -0.00 0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.49 2cru h LEU 60 N 0.00 -0.13 0.32 0.00 3.38 -1.00 -2.72 115.31 115.16 2cru h LEU 60 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2cru h LEU 60 Cb 0.71 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2cru h LEU 60 CO 0.04 0.48 -0.16 1.62 0.09 0.00 0.00 178.44 180.51 2cru h VAL 61 N -0.96 0.69 -2.72 1.22 3.04 -1.57 -3.40 116.25 112.54 2cru h VAL 61 Ca -0.02 -0.45 -0.60 0.00 -1.01 0.00 0.00 66.70 64.63 2cru h VAL 61 Cb 0.45 0.92 -0.39 0.00 -2.01 0.00 0.00 31.29 30.26 2cru h VAL 61 CO 0.03 0.09 -0.81 -1.59 -1.01 0.00 0.00 177.57 174.27 2cru s LYS 62 N -5.06 0.99 -0.02 4.17 -2.85 -0.13 -4.99 119.74 111.84 2cru s LYS 62 Ca -0.15 -1.83 -0.26 0.00 -1.00 0.00 0.00 55.97 52.74 2cru s LYS 62 Cb 0.03 -1.82 -0.20 0.00 -2.06 0.00 0.00 37.83 33.78 2cru s LYS 62 CO 0.57 -1.23 1.24 -1.00 0.10 0.00 0.00 175.35 175.04 2cru h PRO 63 N 6.58 -0.04 -0.67 1.78 0.13 -1.53 -2.74 132.00 135.50 2cru h PRO 63 Ca 0.08 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.40 2cru h PRO 63 Cb 0.93 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2cru h PRO 63 CO 0.39 0.44 0.63 1.05 -0.23 0.00 0.00 178.00 180.28 2cru h GLU 64 N -0.53 0.00 0.00 0.86 9.09 -1.91 -1.18 114.58 120.90 2cru h GLU 64 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2cru h GLU 64 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2cru h GLU 64 CO 0.01 0.00 -0.01 -0.22 0.05 0.00 0.00 179.01 178.84 2cru h LYS 65 N 0.00 0.00 -0.87 1.06 1.63 -1.90 -3.35 116.57 113.14 2cru h LYS 65 Ca 0.32 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.21 2cru h LYS 65 Cb 1.58 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 33.10 2cru h LYS 65 CO -0.00 0.63 -0.47 2.41 -3.45 0.00 0.00 179.45 178.56 2cru n THR 66 N -4.67 -0.56 -0.11 1.00 -1.04 -0.46 -1.18 114.28 107.26 2cru n THR 66 Ca -0.06 2.10 -0.05 0.00 -2.04 0.00 0.00 64.05 64.00 2cru n THR 66 Cb 0.30 -2.64 -0.04 0.00 -1.82 0.00 0.00 70.33 66.13 2cru n THR 66 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2cru h LYS 67 N 0.00 -0.07 -0.82 -2.82 1.57 -1.69 -0.20 116.57 112.54 2cru h LYS 67 Ca 0.18 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.12 2cru h LYS 67 Cb 0.40 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.58 2cru h LYS 67 CO -0.83 -0.04 -0.26 0.00 -0.57 0.00 0.00 179.45 177.74 2cru n ALA 68 N -2.98 0.06 -0.04 3.86 0.00 -0.33 0.76 120.51 121.84 2cru n ALA 68 Ca -0.00 0.86 -0.08 0.00 0.00 0.00 0.00 53.44 54.22 2cru n ALA 68 Cb 0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 0.67 -0.83 0.00 2.07 -0.74 -2.42 116.25 115.00 2cru h VAL 69 Ca 0.34 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.01 2cru h VAL 69 Cb 0.55 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 2cru h VAL 69 CO -0.83 0.00 -0.32 -0.33 0.02 0.00 0.00 177.57 176.11 2cru h GLU 70 N -0.08 -0.05 -0.82 1.57 5.08 0.12 0.44 114.58 120.84 2cru h GLU 70 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2cru h GLU 70 Cb 0.25 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2cru h GLU 70 CO -0.26 -0.03 0.51 -0.97 -1.00 0.00 0.00 179.01 177.25 2cru h ASN 71 N -0.05 0.81 -0.99 1.42 -1.24 -1.18 -1.59 115.58 112.75 2cru h ASN 71 Ca 0.33 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.46 2cru h ASN 71 Cb 0.59 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.41 2cru h ASN 71 CO -0.86 0.53 0.63 0.22 -1.29 0.00 0.00 177.43 176.66 2cru h TYR 72 N 0.95 1.13 0.23 0.67 5.03 0.21 -2.38 116.97 122.81 2cru h TYR 72 Ca 0.35 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 2cru h TYR 72 Cb 0.12 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.04 2cru h TYR 72 CO -0.04 0.49 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.11 2cru h LEU 73 N 1.02 -0.26 -0.82 2.82 3.38 -0.40 -3.16 115.31 117.88 2cru h LEU 73 Ca 0.47 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2cru h LEU 73 Cb 0.41 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2cru h LEU 73 CO -0.23 0.19 -0.50 0.40 0.09 0.00 0.00 178.44 178.39 2cru h ILE 74 N -0.80 0.02 -0.58 1.22 2.04 -1.02 0.11 117.51 118.50 2cru h ILE 74 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 2cru h ILE 74 Cb 0.51 0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 2cru h ILE 74 CO 0.05 0.00 -0.25 1.56 0.00 0.00 0.00 178.15 179.52 2cru h GLN 75 N -0.11 -0.10 -0.95 2.37 1.08 -1.52 0.22 115.11 116.11 2cru h GLN 75 Ca 0.20 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 2cru h GLN 75 Cb 0.52 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 2cru h GLN 75 CO -0.85 -0.06 0.61 0.52 -0.95 0.00 0.00 178.83 178.10 2cru h MET 76 N -0.10 0.96 0.49 1.46 2.86 -0.82 -2.48 114.93 117.31 2cru h MET 76 Ca 0.26 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2cru h MET 76 Cb 0.51 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2cru h MET 76 CO -0.65 0.64 -0.33 0.00 1.06 0.00 0.00 176.91 177.63 2cru h ALA 77 N 1.52 -1.12 -0.78 6.32 0.00 0.97 -1.80 119.26 124.38 2cru h ALA 77 Ca 0.44 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.37 2cru h ALA 77 Cb 0.36 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 2cru h ALA 77 CO -0.19 -1.11 0.03 0.00 0.00 0.00 0.00 179.25 177.98 2cru h ARG 78 N -0.78 0.11 -0.97 0.00 3.08 -1.20 0.33 114.38 114.95 2cru h ARG 78 Ca -0.07 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.08 2cru h ARG 78 Cb 0.64 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 2cru h ARG 78 CO 0.05 0.07 0.61 1.88 -1.07 0.00 0.00 179.97 181.51 2cru h TYR 79 N 0.11 1.11 -0.70 3.04 -1.99 -1.25 -3.47 116.97 113.83 2cru h TYR 79 Ca 0.43 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.19 2cru h TYR 79 Cb 0.77 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 39.15 2cru h TYR 79 CO -0.41 0.48 0.00 0.41 -0.00 0.00 0.00 178.16 178.64 2cru n GLY 80 N -1.35 0.50 0.11 3.88 0.00 0.12 -5.04 105.19 103.41 2cru n GLY 80 Ca 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.35 0.32 -1.78 1.61 1.13 -1.16 -4.89 117.38 112.26 2cru n GLN 81 Ca 0.00 0.08 -0.24 0.00 -1.94 0.00 0.00 57.00 54.90 2cru n GLN 81 Cb 0.17 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 2cru n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2cru s LEU 82 N -5.85 3.09 0.09 1.08 1.43 -1.26 -4.79 118.68 112.45 2cru s LEU 82 Ca -0.18 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 2cru s LEU 82 Cb 0.05 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.61 2cru s LEU 82 CO 0.29 -3.20 1.65 0.28 0.23 0.00 0.00 176.35 175.60 2cru h SER 83 N 13.51 0.16 -2.82 2.29 0.02 -1.99 -3.45 113.55 121.27 2cru h SER 83 Ca -0.03 -0.12 -0.51 0.00 -0.84 0.00 0.00 61.79 60.29 2cru h SER 83 Cb 1.06 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.42 2cru h SER 83 CO 1.12 0.24 -0.68 -1.83 -1.14 0.00 0.00 176.83 174.54 2cru s GLU 84 N -5.71 1.57 -0.06 3.45 -1.05 -1.26 -5.08 118.70 110.55 2cru s GLU 84 Ca -0.14 -1.79 -0.33 0.00 -0.15 0.00 0.00 54.97 52.57 2cru s GLU 84 Cb 0.07 -1.23 -0.11 0.00 -0.44 0.00 0.00 34.13 32.42 2cru s GLU 84 CO 0.69 0.07 1.94 1.63 0.95 0.00 0.00 175.26 180.53 2cru n LYS 85 N -0.59 2.36 -1.65 -4.83 5.02 -1.26 -4.86 118.16 112.34 2cru n LYS 85 Ca -0.06 0.85 -0.48 0.00 -2.02 0.00 0.00 58.31 56.61 2cru n LYS 85 Cb 0.63 -2.78 -0.05 0.00 -0.02 0.00 0.00 35.03 32.81 2cru n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cru n VAL 86 N 5.46 0.04 -3.35 -0.18 0.31 0.80 -4.44 118.33 116.98 2cru n VAL 86 Ca 0.23 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.34 2cru n VAL 86 Cb 0.33 -1.35 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2cru n VAL 86 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2cru s SER 87 N 1.04 5.96 0.15 4.52 0.15 -1.26 -1.96 113.70 122.30 2cru s SER 87 Ca 0.82 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.32 2cru s SER 87 Cb -0.76 -1.41 0.10 0.00 -1.71 0.00 0.00 66.02 62.24 2cru s SER 87 CO 0.42 -0.49 1.11 1.21 1.20 0.00 0.00 173.24 176.69 2cru n GLU 88 N -1.77 -0.22 -0.08 5.44 2.13 -1.26 0.25 120.64 125.12 2cru n GLU 88 Ca -0.01 1.10 -0.12 0.00 0.66 0.00 0.00 57.16 58.79 2cru n GLU 88 Cb 0.58 -1.63 -0.07 0.00 0.27 0.00 0.00 31.44 30.59 2cru n GLU 88 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2cru h GLN 89 N 0.00 -0.41 -0.36 5.31 4.20 -1.97 -0.88 115.11 121.01 2cru h GLN 89 Ca 0.21 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.02 2cru h GLN 89 Cb 0.39 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 2cru h GLN 89 CO -0.70 -0.27 -0.11 0.78 -0.67 0.00 0.00 178.83 177.86 2cru h GLY 90 N -0.43 0.22 0.12 3.46 0.00 -0.57 -2.82 103.07 103.06 2cru h GLY 90 Ca 0.09 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2cru h GLY 90 CO -0.52 -0.15 -0.45 -2.00 0.00 0.00 0.00 176.54 173.42 2cru h LEU 91 N -0.03 -1.35 -0.96 3.11 5.85 -0.35 -1.23 115.31 120.35 2cru h LEU 91 Ca 0.17 0.14 0.36 0.00 0.84 0.00 0.00 57.88 59.40 2cru h LEU 91 Cb 0.29 0.49 -0.17 0.00 0.37 0.00 0.00 40.66 41.64 2cru h LEU 91 CO -0.38 -0.48 0.38 -0.38 -0.34 0.00 0.00 178.44 177.23 2cru n ILE 92 N -5.01 -0.40 0.31 4.05 5.41 -0.41 -0.35 119.36 122.95 2cru n ILE 92 Ca -0.07 1.99 -0.14 0.00 1.00 0.00 0.00 62.75 65.53 2cru n ILE 92 Cb 0.35 -3.14 -0.07 0.00 -0.71 0.00 0.00 39.64 36.07 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 -0.78 -1.02 0.38 5.08 -1.04 -3.11 114.58 114.09 2cru h GLU 93 Ca 0.75 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 59.43 2cru h GLU 93 Cb 1.89 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 31.19 2cru h GLU 93 CO -0.79 -0.47 0.62 0.82 -1.00 0.00 0.00 179.01 178.19 2cru h ILE 94 N -1.10 0.49 -0.93 3.13 2.04 0.20 0.40 117.51 121.75 2cru h ILE 94 Ca -0.08 -0.17 0.23 0.00 1.00 0.00 0.00 64.86 65.84 2cru h ILE 94 Cb 0.67 -0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2cru h ILE 94 CO 0.14 0.09 0.63 -0.07 0.00 0.00 0.00 178.15 178.93 2cru h LEU 95 N 0.49 0.29 -0.12 1.44 3.38 -1.01 0.91 115.31 120.69 2cru h LEU 95 Ca 0.65 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.66 2cru h LEU 95 Cb 1.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2cru h LEU 95 CO -0.44 0.10 0.00 0.11 0.09 0.00 0.00 178.44 178.30 2cru h LYS 96 N 0.28 0.00 0.00 1.13 6.56 -0.25 -3.18 116.57 121.11 2cru h LYS 96 Ca 0.48 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.93 2cru h LYS 96 Cb 1.40 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.04 2cru h LYS 96 CO -0.14 0.00 -0.86 0.87 -2.06 0.00 0.00 179.45 177.26 2cru h LYS 97 N 0.00 0.00 -1.00 3.15 6.56 0.77 -3.37 116.57 122.68 2cru h LYS 97 Ca 0.00 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.82 2cru h LYS 97 Cb 0.93 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.49 2cru h LYS 97 CO 0.00 0.73 0.63 -0.24 -2.06 0.00 0.00 179.45 178.51 2cru h VAL 98 N -1.00 0.61 -0.99 0.50 3.04 -0.70 -1.06 116.25 116.66 2cru h VAL 98 Ca -0.21 -0.18 0.31 0.00 -1.01 0.00 0.00 66.70 65.62 2cru h VAL 98 Cb 1.02 0.04 -0.18 0.00 -2.01 0.00 0.00 31.29 30.17 2cru h VAL 98 CO -0.13 0.10 0.20 -1.28 -1.01 0.00 0.00 177.57 175.45 2cru h SER 99 N 0.53 -0.20 -0.84 3.17 0.87 -1.71 0.54 113.55 115.91 2cru h SER 99 Ca 0.57 0.27 0.21 0.00 -1.23 0.00 0.00 61.79 61.61 2cru h SER 99 Cb 1.22 0.41 -0.14 0.00 -0.44 0.00 0.00 62.40 63.44 2cru h SER 99 CO -0.31 -0.37 0.08 1.56 -0.53 0.00 0.00 176.83 177.27 2cru h GLN 100 N 0.02 0.12 -6.38 2.24 1.08 -1.41 -3.44 115.11 107.34 2cru h GLN 100 Ca 0.67 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 57.37 2cru h GLN 100 Cb 1.53 -0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 28.83 2cru h GLN 100 CO -0.86 0.08 -0.77 0.94 -0.95 0.00 0.00 178.83 177.28 2cru n GLN 101 N -5.33 -4.40 -3.67 1.46 7.27 0.19 -4.94 117.38 107.95 2cru n GLN 101 Ca 0.18 0.50 -0.09 0.00 0.07 0.00 0.00 57.00 57.66 2cru n GLN 101 Cb 0.59 -5.32 -0.10 0.00 2.41 0.00 0.00 30.24 27.82 2cru n GLN 101 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2cru s THR 102 N -3.25 -0.40 0.25 1.69 -1.32 -1.26 -5.17 115.64 106.18 2cru s THR 102 Ca 0.68 0.14 0.01 0.00 -1.21 0.00 0.00 61.69 61.30 2cru s THR 102 Cb -0.35 -0.64 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2cru s THR 102 CO 0.83 0.06 0.21 -0.70 -2.21 0.00 0.00 174.62 172.81 2cru s GLU 103 N 2.14 1.42 -0.06 7.08 2.12 -1.26 -5.10 118.70 125.04 2cru s GLU 103 Ca -0.05 -1.72 -0.31 0.00 0.36 0.00 0.00 54.97 53.25 2cru s GLU 103 Cb -0.11 0.31 -0.15 0.00 0.26 0.00 0.00 34.13 34.44 2cru s GLU 103 CO -0.13 -0.50 0.88 1.63 -0.54 0.00 0.00 175.26 176.60 2cru n LYS 104 N -0.39 0.00 -0.95 4.30 5.02 -1.26 -4.67 118.16 120.20 2cru n LYS 104 Ca 0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 2cru n LYS 104 Cb 0.64 -1.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.51 2cru n LYS 104 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2cru n THR 105 N 1.45 0.89 -3.67 -0.18 5.66 -1.26 -4.97 114.28 112.19 2cru n THR 105 Ca 0.16 -0.35 -0.10 0.00 -3.05 0.00 0.00 64.05 60.71 2cru n THR 105 Cb 0.04 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.72 2cru n THR 105 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2cru s THR 106 N -0.98 -0.38 0.52 1.09 -1.32 -1.26 -5.15 115.64 108.16 2cru s THR 106 Ca 0.44 0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.85 2cru s THR 106 Cb -0.55 -0.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.77 2cru s THR 106 CO 0.42 0.06 1.24 0.28 -2.21 0.00 0.00 174.62 174.41 2cru s THR 107 N 2.12 2.66 0.10 5.08 -1.32 -1.26 -4.92 115.64 118.11 2cru s THR 107 Ca -0.05 0.47 -0.20 0.00 -1.21 0.00 0.00 61.69 60.71 2cru s THR 107 Cb -0.11 -3.23 -0.05 0.00 -1.51 0.00 0.00 72.50 67.61 2cru s THR 107 CO -0.12 -0.03 1.18 0.52 -2.21 0.00 0.00 174.62 173.96 2cru n VAL 108 N -0.95 -0.44 -1.43 5.08 0.31 -1.26 -4.47 118.33 115.17 2cru n VAL 108 Ca 0.10 1.84 -0.30 0.00 -0.01 0.00 0.00 64.34 65.97 2cru n VAL 108 Cb 0.47 -2.30 0.22 0.00 -0.91 0.00 0.00 33.84 31.33 2cru n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2cru s LYS 109 N -4.88 -0.60 -0.06 5.55 -2.85 -1.26 -5.04 119.74 110.61 2cru s LYS 109 Ca -0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.62 2cru s LYS 109 Cb 0.07 -1.69 -0.03 0.00 -2.06 0.00 0.00 37.83 34.12 2cru s LYS 109 CO 0.40 -3.26 -0.06 0.34 0.10 0.00 0.00 175.35 172.86 2cru n PHE 110 N -4.40 0.00 -3.59 1.78 7.35 -1.26 -5.09 117.46 112.24 2cru n PHE 110 Ca 0.15 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 2cru n PHE 110 Cb 0.60 -0.21 -0.03 0.00 0.35 0.00 0.00 39.48 40.18 2cru n PHE 110 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2cru s ASN 111 N -5.06 -0.18 -0.42 -2.13 2.47 -1.26 -5.08 114.94 103.28 2cru s ASN 111 Ca -0.08 0.08 -0.14 0.00 0.42 0.00 0.00 52.86 53.14 2cru s ASN 111 Cb 0.03 0.17 0.04 0.00 -1.45 0.00 0.00 41.25 40.04 2cru s ASN 111 CO 0.12 -0.25 0.31 0.00 -3.72 0.00 0.00 177.10 173.55 2cru s ARG 112 N -1.99 2.91 -0.30 0.43 1.70 -1.26 -5.00 118.95 115.44 2cru s ARG 112 Ca 0.07 -1.17 -0.17 0.00 -0.47 0.00 0.00 55.73 54.00 2cru s ARG 112 Cb -0.01 -3.96 0.18 0.00 -0.57 0.00 0.00 34.95 30.59 2cru s ARG 112 CO -0.05 -0.84 1.13 0.45 -1.08 0.00 0.00 175.30 174.91 2cru s SER 113 N 1.96 -0.34 -0.45 -2.89 0.15 -1.26 -5.10 113.70 105.77 2cru s SER 113 Ca 0.04 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.18 2cru s SER 113 Cb -0.21 1.37 0.26 0.00 -1.71 0.00 0.00 66.02 65.73 2cru s SER 113 CO 0.08 -0.06 0.80 0.61 1.20 0.00 0.00 173.24 175.87 2cru n GLY 114 N 4.88 1.22 3.55 9.45 0.00 -1.26 -5.05 105.19 117.98 2cru n GLY 114 Ca -0.08 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 2cru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cru s PRO 115 N -0.16 2.60 -1.83 1.61 0.04 -1.26 -3.85 135.00 132.15 2cru s PRO 115 Ca 0.32 0.31 -0.21 0.00 0.04 0.00 0.00 61.00 61.46 2cru s PRO 115 Cb 0.23 -4.62 0.20 0.00 0.04 0.00 0.00 34.50 30.36 2cru s PRO 115 CO -0.17 -2.96 0.55 -1.13 0.04 0.00 0.00 177.00 173.34 2cru n SER 116 N 13.19 -1.65 -4.28 6.66 3.41 -1.26 -4.91 113.62 124.78 2cru n SER 116 Ca 0.27 -1.23 -0.26 0.00 -0.26 0.00 0.00 58.87 57.39 2cru n SER 116 Cb 0.50 -1.73 -0.14 0.00 -0.26 0.00 0.00 64.21 62.58 2cru n SER 116 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cru s SER 117 N -3.39 2.63 0.00 4.04 0.15 -1.25 -4.94 113.70 110.94 2cru s SER 117 Ca 0.73 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2cru s SER 117 Cb -0.42 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2cru s SER 117 CO 1.02 0.17 0.00 0.61 1.20 0.00 0.00 173.24 176.23