#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 -0.26 0.11 1.61 0.15 -1.26 -5.19 113.70 108.86 2cru s SER 2 Ca 0.00 -0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.32 2cru s SER 2 Cb 0.00 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 2cru s SER 2 CO 0.00 -0.55 1.07 -0.94 1.20 0.00 0.00 173.24 174.02 2cru s SER 3 N -2.52 -0.10 0.00 5.45 1.04 -1.26 -5.19 113.70 111.13 2cru s SER 3 Ca 0.08 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2cru s SER 3 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2cru s SER 3 CO -0.06 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2cru n GLY 4 N -0.55 1.37 3.49 7.32 0.00 -1.26 -5.19 105.19 110.37 2cru n GLY 4 Ca -0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2cru n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru s SER 5 N 0.00 -0.25 0.08 1.61 0.01 -1.26 -5.19 113.70 108.71 2cru s SER 5 Ca 0.00 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 2cru s SER 5 Cb 0.00 0.56 0.08 0.00 0.21 0.00 0.00 66.02 66.88 2cru s SER 5 CO 0.00 -1.03 0.99 -0.94 0.41 0.00 0.00 173.24 172.67 2cru s SER 6 N -2.87 -0.21 0.00 2.44 1.04 -1.26 -5.18 113.70 107.67 2cru s SER 6 Ca 0.09 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2cru s SER 6 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2cru s SER 6 CO -0.04 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2cru n GLY 7 N -0.40 4.36 3.33 7.32 0.00 -1.26 -5.19 105.19 113.36 2cru n GLY 7 Ca -0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2cru n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2cru s LEU 8 N 0.00 0.92 -0.14 0.99 0.05 -1.26 -5.16 118.68 114.07 2cru s LEU 8 Ca 0.00 -1.27 -0.05 0.00 0.05 0.00 0.00 54.13 52.86 2cru s LEU 8 Cb 0.00 0.85 0.07 0.00 -2.05 0.00 0.00 46.19 45.06 2cru s LEU 8 CO 0.00 -0.96 0.30 0.00 -0.55 0.00 0.00 176.35 175.14 2cru s ARG 9 N -4.04 0.20 -0.03 1.48 1.70 -1.26 -5.15 118.95 111.85 2cru s ARG 9 Ca 0.34 0.80 0.02 0.00 -0.47 0.00 0.00 55.73 56.43 2cru s ARG 9 Cb 0.04 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 2cru s ARG 9 CO 0.12 -0.27 -0.09 1.03 -1.08 0.00 0.00 175.30 175.01 2cru s ARG 10 N 2.37 1.01 0.04 3.89 1.81 -1.26 -5.15 118.95 121.66 2cru s ARG 10 Ca -0.00 -0.30 -0.04 0.00 -1.72 0.00 0.00 55.73 53.67 2cru s ARG 10 Cb -0.12 -0.93 -0.02 0.00 -0.45 0.00 0.00 34.95 33.43 2cru s ARG 10 CO -0.10 0.10 0.05 -0.65 -0.68 0.00 0.00 175.30 174.02 2cru s GLN 11 N 0.26 0.58 -0.17 3.54 -1.52 -1.26 -5.15 119.66 115.94 2cru s GLN 11 Ca -0.04 -0.89 -0.01 0.00 -1.95 0.00 0.00 55.36 52.47 2cru s GLN 11 Cb -0.09 0.22 0.05 0.00 -0.22 0.00 0.00 33.01 32.96 2cru s GLN 11 CO 0.01 -0.13 -0.03 0.50 -0.25 0.00 0.00 175.29 175.39 2cru s ARG 12 N -2.93 1.18 -0.02 2.91 6.06 -1.26 -4.96 118.95 119.93 2cru s ARG 12 Ca -0.02 -0.47 0.04 0.00 -2.50 0.00 0.00 55.73 52.78 2cru s ARG 12 Cb 0.01 -1.97 -0.06 0.00 0.06 0.00 0.00 34.95 32.98 2cru s ARG 12 CO -0.06 -0.48 0.06 -0.11 -2.50 0.00 0.00 175.30 172.21 2cru n LEU 13 N 4.93 0.00 -3.63 -0.88 -0.00 -1.26 -5.05 117.00 111.10 2cru n LEU 13 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.78 2cru n LEU 13 Cb 0.47 0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2cru n LEU 13 CO 0.15 0.05 0.50 0.00 -0.00 0.00 0.00 177.39 178.09 2cru s ALA 14 N -2.21 -1.83 -0.12 1.96 0.00 -1.26 -5.15 121.76 113.14 2cru s ALA 14 Ca -0.02 1.99 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2cru s ALA 14 Cb 0.02 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2cru s ALA 14 CO 0.18 -0.31 -0.10 -2.00 0.00 0.00 0.00 175.76 173.52 2cru s GLU 15 N 0.35 1.83 0.41 0.00 2.12 -1.26 -5.12 118.70 117.02 2cru s GLU 15 Ca 0.01 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 54.99 2cru s GLU 15 Cb -0.05 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 2cru s GLU 15 CO -0.01 -0.23 0.10 -0.48 -0.54 0.00 0.00 175.26 174.10 2cru s LEU 16 N 1.54 2.06 -0.00 2.70 2.34 -1.26 -5.15 118.68 120.91 2cru s LEU 16 Ca 0.03 -1.62 -0.08 0.00 0.06 0.00 0.00 54.13 52.52 2cru s LEU 16 Cb -0.13 -0.23 -0.05 0.00 -0.56 0.00 0.00 46.19 45.23 2cru s LEU 16 CO -0.08 -0.87 0.29 -1.58 -1.06 0.00 0.00 176.35 173.05 2cru s GLN 17 N -3.76 3.64 0.22 1.48 0.74 -1.26 -4.63 119.66 116.09 2cru s GLN 17 Ca 0.24 0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.49 2cru s GLN 17 Cb 0.04 -3.11 0.07 0.00 1.10 0.00 0.00 33.01 31.11 2cru s GLN 17 CO 0.13 0.66 0.95 0.00 -0.55 0.00 0.00 175.29 176.49 2cru n ALA 18 N 1.33 -2.42 0.05 1.58 0.00 -1.26 -5.05 120.51 114.74 2cru n ALA 18 Ca -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2cru n ALA 18 Cb 0.53 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.61 2cru n ALA 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cru n LYS 19 N -0.66 0.00 -4.22 0.00 3.00 -1.26 -4.89 118.16 110.12 2cru n LYS 19 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.01 2cru n LYS 19 Cb 0.56 -0.46 -0.08 0.00 0.00 0.00 0.00 35.03 35.05 2cru n LYS 19 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cru s HIS 20 N -2.00 2.81 0.00 5.64 3.76 -1.26 -4.84 115.29 119.41 2cru s HIS 20 Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2cru s HIS 20 Cb 0.00 -1.37 0.00 0.00 1.11 0.00 0.00 32.58 32.32 2cru s HIS 20 CO 0.00 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 174.81 2cru n GLY 21 N -0.04 1.57 2.62 -2.22 0.00 -1.26 -4.90 105.19 100.95 2cru n GLY 21 Ca -0.10 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2cru n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cru n ASP 22 N 3.35 -1.18 0.00 1.61 2.03 -1.26 -4.74 116.55 116.37 2cru n ASP 22 Ca 0.00 0.83 0.06 0.00 0.52 0.00 0.00 54.79 56.21 2cru n ASP 22 Cb 0.00 -0.73 0.37 0.00 -0.72 0.00 0.00 41.12 40.04 2cru n ASP 22 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2cru n PRO 23 N 0.82 0.49 -0.92 -0.67 -0.04 -1.26 -4.87 135.00 128.54 2cru n PRO 23 Ca 0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 2cru n PRO 23 Cb 0.21 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.57 2.27 0.55 0.00 -1.26 -2.19 105.19 101.96 2cru n GLY 24 Ca 0.09 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 1.98 -4.12 0.07 1.61 8.00 -1.26 -4.90 116.55 117.93 2cru n ASP 25 Ca 0.05 0.06 0.05 0.00 0.71 0.00 0.00 54.79 55.65 2cru n ASP 25 Cb 0.36 -3.20 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cru h ALA 26 N 0.48 0.60 0.00 2.24 0.00 -1.85 -3.35 119.26 117.38 2cru h ALA 26 Ca -0.29 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 2cru h ALA 26 Cb 1.14 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2cru h ALA 26 CO 0.36 0.55 -1.51 0.00 0.00 0.00 0.00 179.25 178.65 2cru n ALA 27 N -2.30 2.31 -0.27 0.00 0.00 -1.26 -4.17 120.51 114.81 2cru n ALA 27 Ca -0.05 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.00 2cru n ALA 27 Cb 0.72 -0.89 0.37 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.68 -0.75 0.00 4.15 -1.97 0.44 115.11 117.65 2cru h GLN 28 Ca -0.10 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.45 2cru h GLN 28 Cb 1.30 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.80 2cru h GLN 28 CO 0.02 0.45 0.51 1.96 -1.93 0.00 0.00 178.83 179.84 2cru h GLN 29 N 0.70 0.27 -0.16 1.69 4.20 -1.76 0.15 115.11 120.19 2cru h GLN 29 Ca 0.45 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.99 2cru h GLN 29 Cb 0.71 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2cru h GLN 29 CO -0.21 0.18 -0.56 0.93 -0.67 0.00 0.00 178.83 178.50 2cru h GLU 30 N 0.27 0.50 0.19 1.46 4.39 -1.17 -1.74 114.58 118.49 2cru h GLU 30 Ca 0.37 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2cru h GLU 30 Cb 1.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2cru h GLU 30 CO -0.09 0.93 -0.09 0.00 -1.16 0.00 0.00 179.01 178.60 2cru h ALA 31 N 1.01 -0.25 0.00 3.43 0.00 -0.77 -3.17 119.26 119.50 2cru h ALA 31 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cru h ALA 31 Cb 1.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2cru h ALA 31 CO 0.10 -0.30 0.00 1.57 0.00 0.00 0.00 179.25 180.62 2cru h LYS 32 N -0.93 0.00 0.00 0.00 2.10 -1.12 -0.36 116.57 116.26 2cru h LYS 32 Ca -0.03 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 2cru h LYS 32 Cb 0.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2cru h LYS 32 CO 0.04 0.00 -0.21 1.25 -2.00 0.00 0.00 179.45 178.53 2cru h HIS 33 N 0.00 0.00 0.00 0.07 2.76 -1.31 -3.10 115.15 113.57 2cru h HIS 33 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2cru h HIS 33 Cb 0.09 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 2cru h HIS 33 CO 0.00 0.21 -0.03 0.00 -1.30 0.00 0.00 177.93 176.82 2cru h ARG 34 N 0.00 0.00 0.00 5.26 2.47 -1.03 -0.05 114.38 121.03 2cru h ARG 34 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2cru h ARG 34 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2cru h ARG 34 CO 0.03 0.03 -0.19 1.49 0.56 0.00 0.00 179.97 181.88 2cru h GLU 35 N 0.00 0.00 0.00 0.04 4.81 -1.69 -3.00 114.58 114.74 2cru h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cru h GLU 35 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2cru h GLU 35 CO 0.00 0.00 -0.88 0.00 -0.73 0.00 0.00 179.01 177.40 2cru n ALA 36 N -1.94 2.96 -0.03 2.92 0.00 -0.05 -3.42 120.51 120.94 2cru n ALA 36 Ca 0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 2cru n ALA 36 Cb 0.48 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2cru n ALA 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cru h GLU 37 N 0.00 0.18 -0.35 0.00 4.39 -1.49 -3.19 114.58 114.12 2cru h GLU 37 Ca 0.00 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 2cru h GLU 37 Cb 0.81 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2cru h GLU 37 CO 0.00 1.15 -0.13 0.00 -1.16 0.00 0.00 179.01 178.87 2cru h MET 38 N -0.33 0.62 -0.17 2.33 -0.00 -1.69 -1.41 114.93 114.28 2cru h MET 38 Ca -0.38 -0.20 -0.15 0.00 -0.00 0.00 0.00 59.70 58.97 2cru h MET 38 Cb 1.76 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.30 2cru h MET 38 CO -0.01 0.73 -0.53 0.07 -0.00 0.00 0.00 176.91 177.17 2cru h ARG 39 N 0.56 0.48 0.00 -0.10 0.11 -1.72 -0.16 114.38 113.55 2cru h ARG 39 Ca 0.10 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2cru h ARG 39 Cb 0.56 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2cru h ARG 39 CO 0.04 0.89 0.00 -0.91 0.10 0.00 0.00 179.97 180.09 2cru h ASN 40 N 0.37 0.00 0.02 0.08 2.35 -1.48 -2.99 115.58 113.93 2cru h ASN 40 Ca 0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.46 2cru h ASN 40 Cb 1.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2cru h ASN 40 CO 0.10 0.00 -1.64 -0.24 -1.65 0.00 0.00 177.43 174.00 2cru n SER 41 N -2.43 1.92 0.29 5.81 2.88 -0.55 -3.54 113.62 118.00 2cru n SER 41 Ca 0.05 0.36 0.19 0.00 -1.33 0.00 0.00 58.87 58.14 2cru n SER 41 Cb 0.42 -0.91 0.95 0.00 -0.75 0.00 0.00 64.21 63.93 2cru n SER 41 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2cru h ILE 42 N -0.82 0.00 0.00 2.46 2.04 -1.12 -1.56 117.51 118.50 2cru h ILE 42 Ca -0.43 -0.19 -0.22 0.00 1.00 0.00 0.00 64.86 65.02 2cru h ILE 42 Cb 1.48 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2cru h ILE 42 CO -0.21 0.00 -1.30 -0.07 0.00 0.00 0.00 178.15 176.58 2cru h LEU 43 N 0.00 0.00 -0.04 1.44 3.38 -1.68 -2.94 115.31 115.46 2cru h LEU 43 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2cru h LEU 43 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2cru h LEU 43 CO 0.00 0.85 -0.41 0.00 0.09 0.00 0.00 178.44 178.97 2cru h ALA 44 N 1.15 0.74 0.13 1.53 0.00 -1.35 -1.68 119.26 119.78 2cru h ALA 44 Ca -0.15 -0.37 -0.32 0.00 0.00 0.00 0.00 54.91 54.07 2cru h ALA 44 Cb 1.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2cru h ALA 44 CO 0.08 0.51 -1.63 -0.56 0.00 0.00 0.00 179.25 177.66 2cru h GLN 45 N 0.00 0.27 0.00 0.00 3.07 -1.51 -3.33 115.11 113.61 2cru h GLN 45 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 58.65 58.28 2cru h GLN 45 Cb 1.30 0.17 0.00 0.00 0.08 0.00 0.00 27.48 29.03 2cru h GLN 45 CO 0.05 1.13 -0.37 1.33 0.09 0.00 0.00 178.83 181.07 2cru n VAL 46 N -3.46 0.36 -4.36 1.86 0.24 -1.11 -4.57 118.33 107.29 2cru n VAL 46 Ca -0.19 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.34 61.55 2cru n VAL 46 Cb 1.05 -0.26 -0.15 0.00 -1.47 0.00 0.00 33.84 33.01 2cru n VAL 46 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2cru s LEU 47 N -4.09 2.38 0.49 1.34 1.43 -0.63 -0.55 118.68 119.04 2cru s LEU 47 Ca 0.09 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 2cru s LEU 47 Cb 0.14 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 2cru s LEU 47 CO 0.66 0.05 1.05 -0.62 0.23 0.00 0.00 176.35 177.72 2cru s ASP 48 N 1.03 6.29 0.35 2.29 2.15 -0.45 -4.62 116.67 123.70 2cru s ASP 48 Ca -0.01 1.96 0.27 0.00 0.43 0.00 0.00 52.55 55.20 2cru s ASP 48 Cb -0.15 -2.56 1.14 0.00 -0.30 0.00 0.00 42.92 41.05 2cru s ASP 48 CO -0.04 -0.82 1.15 1.67 -0.17 0.00 0.00 175.17 176.95 2cru n GLN 49 N -0.98 -0.02 0.27 4.34 7.27 -1.26 0.31 117.38 127.31 2cru n GLN 49 Ca 0.09 0.89 -0.11 0.00 0.07 0.00 0.00 57.00 57.94 2cru n GLN 49 Cb 0.52 -1.82 -0.05 0.00 2.41 0.00 0.00 30.24 31.30 2cru n GLN 49 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2cru h SER 50 N 0.00 -0.60 -0.50 1.69 4.64 -1.89 -3.05 113.55 113.84 2cru h SER 50 Ca 0.66 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 62.09 2cru h SER 50 Cb 2.27 0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 64.43 2cru h SER 50 CO -0.26 -0.34 0.05 0.00 -0.87 0.00 0.00 176.83 175.41 2cru h ALA 51 N -1.49 0.51 -0.84 5.18 0.00 -0.32 -2.48 119.26 119.83 2cru h ALA 51 Ca -0.07 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2cru h ALA 51 Cb 0.54 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 2cru h ALA 51 CO 0.12 -0.35 -0.52 0.00 0.00 0.00 0.00 179.25 178.49 2cru h ARG 52 N 0.17 -0.10 0.15 0.00 2.47 -1.29 0.83 114.38 116.61 2cru h ARG 52 Ca 0.25 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2cru h ARG 52 Cb 0.36 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 2cru h ARG 52 CO -0.37 -0.06 -0.31 0.00 0.56 0.00 0.00 179.97 179.78 2cru h ALA 53 N 0.59 -0.88 -0.93 0.04 0.00 -1.33 -1.22 119.26 115.54 2cru h ALA 53 Ca 0.18 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.25 2cru h ALA 53 Cb 0.50 0.65 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 2cru h ALA 53 CO -0.85 -0.93 0.01 -0.09 0.00 0.00 0.00 179.25 177.38 2cru h ARG 54 N -0.50 0.04 0.41 0.00 9.65 -1.17 -0.41 114.38 122.41 2cru h ARG 54 Ca -0.02 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2cru h ARG 54 Cb 0.47 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2cru h ARG 54 CO -0.12 0.03 -0.28 1.25 2.80 0.00 0.00 179.97 183.64 2cru h LEU 55 N 0.04 -0.72 -0.88 3.80 5.85 -0.31 -2.14 115.31 120.96 2cru h LEU 55 Ca 0.54 0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.53 2cru h LEU 55 Cb 1.05 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 2cru h LEU 55 CO -0.85 -0.41 0.14 -1.28 -0.34 0.00 0.00 178.44 175.69 2cru h SER 56 N -0.66 -0.19 -0.78 1.25 0.87 -0.04 0.47 113.55 114.47 2cru h SER 56 Ca -0.05 0.22 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 2cru h SER 56 Cb 0.53 0.34 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 2cru h SER 56 CO 0.04 -0.21 0.43 -1.13 -0.53 0.00 0.00 176.83 175.43 2cru h ASN 57 N 0.13 0.60 -0.81 6.23 -1.24 -0.89 -0.92 115.58 118.69 2cru h ASN 57 Ca 0.54 0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.64 2cru h ASN 57 Cb 1.07 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 40.01 2cru h ASN 57 CO -0.72 0.35 0.53 0.25 -1.29 0.00 0.00 177.43 176.54 2cru h LEU 58 N 0.73 0.83 -2.00 0.34 6.46 0.60 -0.41 115.31 121.85 2cru h LEU 58 Ca 0.38 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 2cru h LEU 58 Cb 0.35 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2cru h LEU 58 CO -0.25 0.56 0.25 0.00 -0.62 0.00 0.00 178.44 178.38 2cru h ALA 59 N 1.54 1.24 0.00 1.25 0.00 -0.79 -0.55 119.26 121.95 2cru h ALA 59 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cru h ALA 59 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2cru h ALA 59 CO -0.10 -0.24 -0.00 -0.07 0.00 0.00 0.00 179.25 178.84 2cru h LEU 60 N 0.00 -0.00 -0.50 0.00 3.38 -1.11 -3.29 115.31 113.79 2cru h LEU 60 Ca 0.00 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2cru h LEU 60 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2cru h LEU 60 CO 0.00 0.78 0.26 1.62 0.09 0.00 0.00 178.44 181.19 2cru h VAL 61 N -1.00 1.18 -1.20 1.22 3.04 -1.38 -3.43 116.25 114.67 2cru h VAL 61 Ca -0.00 -0.47 0.13 0.00 -1.01 0.00 0.00 66.70 65.35 2cru h VAL 61 Cb 0.56 0.58 -0.21 0.00 -2.01 0.00 0.00 31.29 30.21 2cru h VAL 61 CO 0.00 0.19 -0.04 -1.59 -1.01 0.00 0.00 177.57 175.12 2cru s LYS 62 N -5.81 0.44 0.51 4.17 -2.85 -0.29 -5.02 119.74 110.89 2cru s LYS 62 Ca -0.13 0.97 0.33 0.00 -1.00 0.00 0.00 55.97 56.14 2cru s LYS 62 Cb 0.12 0.57 1.36 0.00 -2.06 0.00 0.00 37.83 37.81 2cru s LYS 62 CO 0.76 -0.30 1.96 -1.00 0.10 0.00 0.00 175.35 176.87 2cru h PRO 63 N 7.87 0.00 0.00 1.78 0.13 -1.74 -3.34 132.00 136.70 2cru h PRO 63 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2cru h PRO 63 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2cru h PRO 63 CO 0.11 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.27 2cru n GLU 64 N -2.96 0.00 -0.40 0.86 1.02 -1.26 -1.51 120.64 116.38 2cru n GLU 64 Ca 0.01 0.49 -0.10 0.00 -0.02 0.00 0.00 57.16 57.53 2cru n GLU 64 Cb 0.28 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 2cru n GLU 64 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2cru n LYS 65 N -1.59 -0.41 0.00 3.49 4.76 -1.25 -2.12 118.16 121.03 2cru n LYS 65 Ca 0.00 1.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.91 2cru n LYS 65 Cb 0.00 -2.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.03 2cru n LYS 65 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2cru n THR 66 N -5.23 0.00 -0.40 -0.18 -2.24 -1.15 0.11 114.28 105.19 2cru n THR 66 Ca 0.03 1.21 0.33 0.00 -2.27 0.00 0.00 64.05 63.34 2cru n THR 66 Cb 0.26 -1.75 0.54 0.00 -2.10 0.00 0.00 70.33 67.28 2cru n THR 66 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2cru n LYS 67 N -1.77 -0.02 -0.04 -0.78 5.02 -0.57 0.19 118.16 120.18 2cru n LYS 67 Ca 0.00 0.92 -0.14 0.00 -2.02 0.00 0.00 58.31 57.07 2cru n LYS 67 Cb 0.00 -1.87 -0.11 0.00 -0.02 0.00 0.00 35.03 33.03 2cru n LYS 67 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cru h ALA 68 N 1.10 0.01 0.17 7.82 0.00 0.22 -3.24 119.26 125.34 2cru h ALA 68 Ca 0.68 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2cru h ALA 68 Cb 2.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.10 2cru h ALA 68 CO -0.27 -0.13 -0.08 0.28 0.00 0.00 0.00 179.25 179.05 2cru h VAL 69 N -0.66 0.90 -0.98 0.00 2.07 0.51 -2.28 116.25 115.81 2cru h VAL 69 Ca -0.00 -0.31 0.32 0.00 0.82 0.00 0.00 66.70 67.53 2cru h VAL 69 Cb 0.72 1.09 -0.17 0.00 -1.52 0.00 0.00 31.29 31.41 2cru h VAL 69 CO 0.00 0.07 0.29 -0.33 0.02 0.00 0.00 177.57 177.63 2cru h GLU 70 N -0.38 0.07 -0.18 1.57 5.08 -0.92 0.61 114.58 120.43 2cru h GLU 70 Ca -0.02 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 2cru h GLU 70 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2cru h GLU 70 CO 0.04 0.04 -0.39 -0.97 -1.00 0.00 0.00 179.01 176.74 2cru h ASN 71 N 0.07 0.65 -0.32 1.42 -1.24 -1.53 -2.46 115.58 112.17 2cru h ASN 71 Ca 0.69 -0.56 0.03 0.00 0.71 0.00 0.00 56.30 57.18 2cru h ASN 71 Cb 1.61 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 40.43 2cru h ASN 71 CO -0.80 1.09 0.13 0.22 -1.29 0.00 0.00 177.43 176.78 2cru h TYR 72 N 0.25 0.23 -0.20 0.67 3.20 0.66 -0.85 116.97 120.92 2cru h TYR 72 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2cru h TYR 72 Cb 0.99 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2cru h TYR 72 CO 0.09 0.11 0.11 -0.07 -1.64 0.00 0.00 178.16 176.76 2cru h LEU 73 N 0.28 0.26 -0.08 2.82 3.38 -0.77 -0.67 115.31 120.53 2cru h LEU 73 Ca 0.14 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2cru h LEU 73 Cb 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2cru h LEU 73 CO -0.13 0.28 -0.16 0.40 0.09 0.00 0.00 178.44 178.92 2cru h ILE 74 N 0.22 0.59 -0.45 1.22 2.04 -1.13 -1.08 117.51 118.92 2cru h ILE 74 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2cru h ILE 74 Cb 0.08 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2cru h ILE 74 CO -0.01 0.00 0.21 0.06 0.00 0.00 0.00 178.15 178.41 2cru h GLN 75 N -0.22 0.62 -0.63 2.37 3.07 -1.06 -2.35 115.11 116.91 2cru h GLN 75 Ca 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.72 2cru h GLN 75 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2cru h GLN 75 CO -0.21 0.49 0.28 0.52 0.09 0.00 0.00 178.83 180.00 2cru h MET 76 N 0.62 0.92 0.11 0.06 2.86 -0.18 -3.01 114.93 116.31 2cru h MET 76 Ca 0.16 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2cru h MET 76 Cb 0.07 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2cru h MET 76 CO -0.02 0.75 -0.05 0.00 1.06 0.00 0.00 176.91 178.65 2cru h ALA 77 N 1.12 -0.15 -0.71 6.32 0.00 -0.72 -2.82 119.26 122.30 2cru h ALA 77 Ca 0.21 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2cru h ALA 77 Cb 0.15 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2cru h ALA 77 CO -0.02 -0.52 -0.44 0.00 0.00 0.00 0.00 179.25 178.26 2cru h ARG 78 N -0.28 -0.15 -0.06 0.00 3.08 -1.37 -1.01 114.38 114.59 2cru h ARG 78 Ca -0.02 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2cru h ARG 78 Cb 0.22 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 2cru h ARG 78 CO 0.03 -0.10 -0.33 1.88 -1.07 0.00 0.00 179.97 180.37 2cru h TYR 79 N -0.16 -0.92 0.00 3.04 -1.99 -1.49 -3.47 116.97 111.99 2cru h TYR 79 Ca 0.21 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.97 2cru h TYR 79 Cb 0.55 0.41 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2cru h TYR 79 CO -0.78 -0.42 0.00 0.41 -0.00 0.00 0.00 178.16 177.38 2cru n GLY 80 N -1.42 1.82 0.11 3.88 0.00 -0.38 -5.05 105.19 104.15 2cru n GLY 80 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2cru n GLY 80 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2cru h GLN 81 N 0.00 0.20 -6.29 1.61 1.08 -1.75 -3.44 115.11 106.52 2cru h GLN 81 Ca 0.00 -0.34 -0.56 0.00 -1.45 0.00 0.00 58.65 56.30 2cru h GLN 81 Cb 0.00 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2cru h GLN 81 CO 0.00 1.16 1.24 -0.51 -0.95 0.00 0.00 178.83 179.77 2cru s LEU 82 N -7.88 3.49 -0.23 1.46 1.43 -1.26 -4.84 118.68 110.85 2cru s LEU 82 Ca -0.17 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.80 2cru s LEU 82 Cb 0.01 -3.37 -0.13 0.00 0.03 0.00 0.00 46.19 42.74 2cru s LEU 82 CO 0.77 -1.75 -0.12 -1.54 0.23 0.00 0.00 176.35 173.94 2cru n SER 83 N 10.31 1.90 -4.88 2.29 3.41 -1.26 -4.95 113.62 120.44 2cru n SER 83 Ca 0.21 0.40 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 2cru n SER 83 Cb 0.48 -0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 2cru n SER 83 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2cru s GLU 84 N -2.47 2.85 0.09 4.33 2.02 -1.26 -5.07 118.70 119.19 2cru s GLU 84 Ca -0.31 -1.19 -0.31 0.00 0.02 0.00 0.00 54.97 53.17 2cru s GLU 84 Cb 0.09 -2.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.67 2cru s GLU 84 CO 0.49 0.14 1.50 0.15 0.02 0.00 0.00 175.26 177.56 2cru s LYS 85 N -4.01 4.26 0.08 1.61 1.02 -1.26 -4.93 119.74 116.52 2cru s LYS 85 Ca 0.40 2.18 -0.31 0.00 0.02 0.00 0.00 55.97 58.27 2cru s LYS 85 Cb -0.07 -3.37 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 2cru s LYS 85 CO 0.27 -0.57 1.45 0.08 -0.92 0.00 0.00 175.35 175.66 2cru s VAL 86 N 1.74 3.30 0.39 3.17 1.01 0.29 -4.64 120.40 125.65 2cru s VAL 86 Ca 0.68 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.53 2cru s VAL 86 Cb -0.38 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2cru s VAL 86 CO 0.30 0.04 0.59 -0.44 0.00 0.00 0.00 175.10 175.59 2cru s SER 87 N 1.51 6.07 0.18 3.32 0.01 -1.26 -1.34 113.70 122.19 2cru s SER 87 Ca 0.66 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.14 2cru s SER 87 Cb -0.37 -1.74 0.24 0.00 0.21 0.00 0.00 66.02 64.36 2cru s SER 87 CO 0.30 -0.47 1.13 1.21 0.41 0.00 0.00 173.24 175.81 2cru n GLU 88 N -1.89 -0.13 0.17 12.44 2.13 -1.26 0.23 120.64 132.34 2cru n GLU 88 Ca -0.02 1.12 -0.16 0.00 0.66 0.00 0.00 57.16 58.76 2cru n GLU 88 Cb 0.57 -1.67 -0.09 0.00 0.27 0.00 0.00 31.44 30.52 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 -0.77 -0.17 5.31 4.20 -1.98 -1.85 115.11 119.85 2cru h GLN 89 Ca 0.29 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.10 2cru h GLN 89 Cb 0.47 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.36 2cru h GLN 89 CO -0.73 -0.51 -0.44 0.78 -0.67 0.00 0.00 178.83 177.26 2cru h GLY 90 N -0.80 -0.73 -0.15 3.46 0.00 -0.58 -2.66 103.07 101.61 2cru h GLY 90 Ca -0.01 0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.88 2cru h GLY 90 CO -0.20 -0.21 -0.23 -2.00 0.00 0.00 0.00 176.54 173.89 2cru h LEU 91 N -0.48 -0.77 -0.80 3.11 5.85 -1.06 -0.49 115.31 120.67 2cru h LEU 91 Ca 0.08 0.10 0.22 0.00 0.84 0.00 0.00 57.88 59.12 2cru h LEU 91 Cb 0.63 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 41.82 2cru h LEU 91 CO -0.43 -0.17 0.02 -0.38 -0.34 0.00 0.00 178.44 177.14 2cru n ILE 92 N -3.80 -0.34 -0.20 4.05 5.41 -0.71 0.20 119.36 123.98 2cru n ILE 92 Ca -0.02 1.77 -0.07 0.00 1.00 0.00 0.00 62.75 65.43 2cru n ILE 92 Cb 0.14 -2.58 0.03 0.00 -0.71 0.00 0.00 39.64 36.51 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 0.79 -0.78 0.38 5.08 -0.78 -2.74 114.58 116.53 2cru h GLU 93 Ca 0.49 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.78 2cru h GLU 93 Cb 1.01 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2cru h GLU 93 CO -0.76 0.62 0.50 0.82 -1.00 0.00 0.00 179.01 179.19 2cru h ILE 94 N 0.76 1.14 -0.19 3.13 2.04 0.33 -0.97 117.51 123.74 2cru h ILE 94 Ca 0.20 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.77 2cru h ILE 94 Cb 0.07 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2cru h ILE 94 CO -0.03 0.18 0.39 -0.07 0.00 0.00 0.00 178.15 178.62 2cru h LEU 95 N 0.99 0.00 -3.58 1.44 3.38 -0.91 0.58 115.31 117.22 2cru h LEU 95 Ca 0.31 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.04 2cru h LEU 95 Cb -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 2cru h LEU 95 CO -0.10 0.00 0.19 0.29 0.09 0.00 0.00 178.44 178.90 2cru n LYS 96 N -3.29 2.51 0.00 1.13 4.01 -0.37 -4.50 118.16 117.65 2cru n LYS 96 Ca 0.02 -3.07 0.00 0.00 -0.51 0.00 0.00 58.31 54.75 2cru n LYS 96 Cb 0.49 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 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 -0.83 0.00 0.22 1.97 5.02 0.20 -4.76 118.16 119.99 2cru n LYS 97 Ca 0.39 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.85 2cru n LYS 97 Cb 1.24 -0.46 0.84 0.00 -0.02 0.00 0.00 35.03 36.63 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2cru h VAL 98 N 0.00 0.51 0.65 -0.18 3.04 -1.67 -2.61 116.25 115.99 2cru h VAL 98 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 2cru h VAL 98 Cb 0.61 0.87 0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2cru h VAL 98 CO 0.00 0.00 -0.31 -1.28 -1.01 0.00 0.00 177.57 174.97 2cru h SER 99 N 0.00 -0.74 -0.88 3.17 0.87 -1.84 -3.11 113.55 111.02 2cru h SER 99 Ca 0.07 -0.01 0.23 0.00 -1.23 0.00 0.00 61.79 60.85 2cru h SER 99 Cb 0.38 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.40 2cru h SER 99 CO -0.00 -0.40 0.32 -0.61 -0.53 0.00 0.00 176.83 175.60 2cru h GLN 100 N -1.10 0.29 -7.12 2.24 5.75 -1.76 -3.40 115.11 110.00 2cru h GLN 100 Ca -0.09 -0.02 -0.47 0.00 -0.15 0.00 0.00 58.65 57.92 2cru h GLN 100 Cb 0.71 -0.06 0.06 0.00 1.07 0.00 0.00 27.48 29.26 2cru h GLN 100 CO 0.15 0.19 0.17 -0.65 -2.65 0.00 0.00 178.83 176.03 2cru s GLN 101 N -5.90 2.80 -0.29 1.69 -0.21 -1.17 -5.10 119.66 111.47 2cru s GLN 101 Ca -0.12 -0.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.98 2cru s GLN 101 Cb 0.26 -2.27 0.14 0.00 1.00 0.00 0.00 33.01 32.13 2cru s GLN 101 CO 0.77 -0.77 1.00 -0.08 -2.12 0.00 0.00 175.29 174.10 2cru s THR 102 N -3.00 0.00 -0.50 -0.19 -1.32 -1.26 -4.89 115.64 104.48 2cru s THR 102 Ca 0.55 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.80 2cru s THR 102 Cb -0.11 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2cru s THR 102 CO 0.45 0.00 0.81 -0.70 -2.21 0.00 0.00 174.62 172.96 2cru s GLU 103 N 1.00 3.31 -0.27 7.08 2.56 -1.26 -4.88 118.70 126.24 2cru s GLU 103 Ca -0.05 -0.34 0.12 0.00 0.00 0.00 0.00 54.97 54.70 2cru s GLU 103 Cb -0.04 -4.02 0.47 0.00 2.00 0.00 0.00 34.13 32.54 2cru s GLU 103 CO -0.13 -1.28 1.17 1.17 -0.56 0.00 0.00 175.26 175.64 2cru n LYS 104 N 6.88 2.87 -3.50 4.30 4.81 -1.26 -5.05 118.16 127.20 2cru n LYS 104 Ca 0.00 -3.87 -0.09 0.00 -0.87 0.00 0.00 58.31 53.48 2cru n LYS 104 Cb 0.47 -1.99 -0.02 0.00 0.02 0.00 0.00 35.03 33.51 2cru n LYS 104 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2cru s THR 105 N -4.14 0.00 -0.86 3.15 -1.32 -1.26 -5.11 115.64 106.10 2cru s THR 105 Ca 0.43 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.83 2cru s THR 105 Cb 0.38 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.59 2cru s THR 105 CO 0.00 0.00 0.77 0.42 -2.21 0.00 0.00 174.62 173.61 2cru s THR 106 N -2.95 5.03 0.08 5.08 -4.23 -1.26 -5.05 115.64 112.34 2cru s THR 106 Ca 0.04 -3.07 -0.37 0.00 -1.18 0.00 0.00 61.69 57.10 2cru s THR 106 Cb -0.01 -4.11 -0.17 0.00 1.34 0.00 0.00 72.50 69.55 2cru s THR 106 CO -0.08 -1.04 1.30 0.41 -0.54 0.00 0.00 174.62 174.67 2cru n THR 107 N 3.25 0.04 -1.53 3.99 -1.04 -1.26 -4.80 114.28 112.93 2cru n THR 107 Ca 0.16 -0.01 -0.46 0.00 -2.04 0.00 0.00 64.05 61.70 2cru n THR 107 Cb 0.41 -0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 68.17 2cru n THR 107 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2cru n VAL 108 N 2.36 1.82 -3.74 12.58 3.14 -1.26 -4.99 118.33 128.24 2cru n VAL 108 Ca 0.18 -0.45 -0.12 0.00 -2.96 0.00 0.00 64.34 60.99 2cru n VAL 108 Cb 0.18 -0.64 -0.13 0.00 -1.06 0.00 0.00 33.84 32.20 2cru n VAL 108 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2cru s LYS 109 N -1.20 0.22 -0.91 1.45 2.47 -1.26 -5.09 119.74 115.42 2cru s LYS 109 Ca 0.63 0.49 -0.24 0.00 -1.56 0.00 0.00 55.97 55.28 2cru s LYS 109 Cb -0.81 -0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.44 2cru s LYS 109 CO 0.58 -0.14 1.93 0.12 0.16 0.00 0.00 175.35 178.00 2cru s PHE 110 N 1.04 1.83 0.07 4.03 2.19 -1.26 -4.87 117.98 121.02 2cru s PHE 110 Ca -0.08 0.58 -0.23 0.00 0.33 0.00 0.00 56.93 57.53 2cru s PHE 110 Cb -0.09 -4.07 0.06 0.00 -1.31 0.00 0.00 43.02 37.61 2cru s PHE 110 CO -0.07 -1.75 0.55 1.21 1.83 0.00 0.00 175.22 176.99 2cru s ASN 111 N 7.92 -0.48 -0.14 6.13 3.04 -1.26 -5.12 114.94 125.03 2cru s ASN 111 Ca 0.69 0.15 -0.29 0.00 0.04 0.00 0.00 52.86 53.45 2cru s ASN 111 Cb -0.06 0.52 -0.05 0.00 -1.54 0.00 0.00 41.25 40.12 2cru s ASN 111 CO -0.01 -0.78 1.78 -0.60 -3.04 0.00 0.00 177.10 174.45 2cru s ARG 112 N -2.75 3.84 -0.15 0.43 3.00 -1.26 -4.97 118.95 117.09 2cru s ARG 112 Ca -0.04 2.01 -0.13 0.00 -1.00 0.00 0.00 55.73 56.57 2cru s ARG 112 Cb -0.00 -4.10 0.04 0.00 0.00 0.00 0.00 34.95 30.89 2cru s ARG 112 CO -0.04 -1.26 0.40 0.45 0.00 0.00 0.00 175.30 174.85 2cru s SER 113 N 4.71 -0.44 0.00 -2.12 0.15 -1.26 -5.06 113.70 109.68 2cru s SER 113 Ca 0.79 0.82 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2cru s SER 113 Cb -0.31 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2cru s SER 113 CO 0.32 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2cru n GLY 114 N 3.25 0.02 3.77 9.45 0.00 -1.26 -5.15 105.19 115.28 2cru n GLY 114 Ca -0.16 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 3.66 -0.12 1.61 0.04 -1.26 -5.00 135.00 133.93 2cru s PRO 115 Ca 0.00 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 2cru s PRO 115 Cb 0.00 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2cru s PRO 115 CO 0.00 -0.63 -0.26 0.45 0.04 0.00 0.00 177.00 176.60 2cru n SER 116 N -0.70 1.61 -4.42 6.66 2.88 -1.26 -4.93 113.62 113.46 2cru n SER 116 Ca 0.08 0.27 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 2cru n SER 116 Cb 0.49 -0.64 -0.11 0.00 -0.75 0.00 0.00 64.21 63.19 2cru n SER 116 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cru s SER 117 N -5.74 5.74 0.00 -3.46 0.15 -1.26 -5.38 113.70 103.75 2cru s SER 117 Ca -0.22 -0.75 0.25 0.00 0.70 0.00 0.00 55.95 55.93 2cru s SER 117 Cb 0.03 -2.04 1.50 0.00 -1.71 0.00 0.00 66.02 63.80 2cru s SER 117 CO 0.32 -0.31 1.86 0.61 1.20 0.00 0.00 173.24 176.92