#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 -0.19 -0.29 1.61 1.04 -1.26 -5.18 113.70 109.43 2cru s SER 2 Ca 0.00 -0.32 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 2cru s SER 2 Cb 0.00 0.44 0.16 0.00 0.10 0.00 0.00 66.02 66.72 2cru s SER 2 CO 0.00 -0.79 1.26 -0.55 0.98 0.00 0.00 173.24 174.14 2cru s SER 3 N -2.88 -0.22 -0.04 7.02 0.15 -1.26 -5.19 113.70 111.29 2cru s SER 3 Ca 0.11 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.89 2cru s SER 3 Cb -0.01 0.47 0.11 0.00 -1.71 0.00 0.00 66.02 64.88 2cru s SER 3 CO 0.00 -0.07 0.90 -0.83 1.20 0.00 0.00 173.24 174.44 2cru s GLY 4 N 0.18 -0.43 0.24 9.45 0.00 -1.26 -5.19 107.32 110.32 2cru s GLY 4 Ca 0.05 1.24 -0.22 0.00 0.00 0.00 0.00 44.72 45.79 2cru s GLY 4 CO -0.12 0.51 0.83 -0.56 0.00 0.00 0.00 173.10 173.76 2cru s SER 5 N -2.14 -0.19 0.13 1.64 0.01 -1.26 -5.19 113.70 106.71 2cru s SER 5 Ca 0.03 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.43 2cru s SER 5 Cb -0.01 0.65 0.07 0.00 0.21 0.00 0.00 66.02 66.94 2cru s SER 5 CO -0.06 -1.21 0.99 -0.44 0.41 0.00 0.00 173.24 172.93 2cru s SER 6 N -2.97 -0.17 -0.30 2.44 0.01 -1.26 -5.17 113.70 106.29 2cru s SER 6 Ca 0.12 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 2cru s SER 6 Cb -0.04 0.45 0.16 0.00 0.21 0.00 0.00 66.02 66.81 2cru s SER 6 CO 0.06 -0.83 0.83 -0.83 0.41 0.00 0.00 173.24 172.88 2cru s GLY 7 N -2.94 -0.53 -0.09 3.44 0.00 -1.26 -5.14 107.32 100.80 2cru s GLY 7 Ca 0.12 2.57 -0.02 0.00 0.00 0.00 0.00 44.72 47.39 2cru s GLY 7 CO 0.01 3.33 0.02 -2.27 0.00 0.00 0.00 173.10 174.20 2cru s LEU 8 N 2.74 0.58 0.28 0.66 1.98 -1.26 -5.14 118.68 118.52 2cru s LEU 8 Ca 0.02 -0.18 0.09 0.00 -2.89 0.00 0.00 54.13 51.18 2cru s LEU 8 Cb -0.10 -0.41 -0.05 0.00 0.66 0.00 0.00 46.19 46.29 2cru s LEU 8 CO -0.17 -0.22 -0.13 -0.13 -1.89 0.00 0.00 176.35 173.80 2cru s ARG 9 N 1.99 1.61 -0.19 1.98 0.52 -1.26 -5.15 118.95 118.45 2cru s ARG 9 Ca 0.04 -1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 53.17 2cru s ARG 9 Cb -0.13 -1.47 0.14 0.00 0.52 0.00 0.00 34.95 34.01 2cru s ARG 9 CO -0.05 0.19 1.12 0.50 0.02 0.00 0.00 175.30 177.07 2cru s ARG 10 N -3.61 0.42 0.14 3.54 3.52 -1.26 -5.19 118.95 116.51 2cru s ARG 10 Ca 0.29 0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.83 2cru s ARG 10 Cb -0.00 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2cru s ARG 10 CO 0.13 -0.15 0.26 -0.65 -0.81 0.00 0.00 175.30 174.08 2cru s GLN 11 N -1.46 1.06 0.03 5.12 -0.21 -1.26 -5.17 119.66 117.77 2cru s GLN 11 Ca 0.03 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.35 2cru s GLN 11 Cb -0.01 0.37 -0.04 0.00 1.00 0.00 0.00 33.01 34.34 2cru s GLN 11 CO -0.03 -0.38 0.01 -0.98 -2.12 0.00 0.00 175.29 171.80 2cru s ARG 12 N -3.93 2.74 1.05 2.91 3.03 -1.26 -5.10 118.95 118.39 2cru s ARG 12 Ca 0.13 -0.68 -0.19 0.00 2.03 0.00 0.00 55.73 57.02 2cru s ARG 12 Cb 0.04 -2.65 0.05 0.00 -1.03 0.00 0.00 34.95 31.36 2cru s ARG 12 CO -0.04 0.59 -0.27 1.28 -1.13 0.00 0.00 175.30 175.74 2cru n LEU 13 N 1.04 -2.24 -3.74 -1.89 7.99 -1.26 -5.03 117.00 111.87 2cru n LEU 13 Ca -0.13 -0.17 -0.12 0.00 -0.01 0.00 0.00 56.01 55.58 2cru n LEU 13 Cb 0.52 -0.79 -0.13 0.00 -0.11 0.00 0.00 43.42 42.92 2cru n LEU 13 CO 0.37 -2.95 -0.10 0.00 -1.51 0.00 0.00 177.39 173.20 2cru s ALA 14 N -2.13 -0.60 0.09 -1.18 0.00 -1.26 -5.15 121.76 111.53 2cru s ALA 14 Ca 0.45 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 2cru s ALA 14 Cb -0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2cru s ALA 14 CO 0.56 -0.18 0.67 -2.00 0.00 0.00 0.00 175.76 174.81 2cru s GLU 15 N 0.95 4.38 -0.09 0.00 2.12 -1.26 -4.99 118.70 119.81 2cru s GLU 15 Ca -0.07 0.93 -0.16 0.00 0.36 0.00 0.00 54.97 56.03 2cru s GLU 15 Cb -0.08 -3.28 -0.28 0.00 0.26 0.00 0.00 34.13 30.75 2cru s GLU 15 CO -0.06 0.54 0.61 1.37 -0.54 0.00 0.00 175.26 177.18 2cru h LEU 16 N 4.75 0.44 -2.61 2.70 8.10 -2.03 -3.47 115.31 123.18 2cru h LEU 16 Ca -0.47 -0.88 -0.42 0.00 0.11 0.00 0.00 57.88 56.21 2cru h LEU 16 Cb 1.21 -0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 41.18 2cru h LEU 16 CO 0.66 1.63 -0.68 0.00 -4.11 0.00 0.00 178.44 175.94 2cru n GLN 17 N -3.89 -0.80 -3.33 0.17 10.64 -1.26 -4.85 117.38 114.06 2cru n GLN 17 Ca -0.24 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.54 2cru n GLN 17 Cb 0.92 -2.12 -0.08 0.00 -0.86 0.00 0.00 30.24 28.10 2cru n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2cru s ALA 18 N -3.97 3.57 -0.09 2.61 0.00 -1.26 -4.98 121.76 117.64 2cru s ALA 18 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 2cru s ALA 18 Cb -0.06 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 2cru s ALA 18 CO 0.68 -0.52 0.36 -0.22 0.00 0.00 0.00 175.76 176.06 2cru h LYS 19 N 7.75 -0.12 -0.08 0.00 3.64 -2.02 -3.34 116.57 122.40 2cru h LYS 19 Ca -0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2cru h LYS 19 Cb 1.16 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2cru h LYS 19 CO 0.70 0.13 -0.05 0.45 -2.27 0.00 0.00 179.45 178.41 2cru h HIS 20 N -1.01 -0.15 -3.60 1.91 3.86 -2.01 -3.34 115.15 110.81 2cru h HIS 20 Ca -0.01 0.01 -0.70 0.00 -1.16 0.00 0.00 60.37 58.51 2cru h HIS 20 Cb 0.31 0.08 -0.32 0.00 1.06 0.00 0.00 27.41 28.54 2cru h HIS 20 CO 0.06 -0.03 -0.59 0.20 0.86 0.00 0.00 177.93 178.43 2cru s GLY 21 N -1.12 1.89 0.09 2.45 0.00 -1.26 -5.09 107.32 104.28 2cru s GLY 21 Ca -0.01 -2.09 0.05 0.00 0.00 0.00 0.00 44.72 42.67 2cru s GLY 21 CO 0.05 0.87 -0.01 0.51 0.00 0.00 0.00 173.10 174.52 2cru s ASP 22 N 1.64 4.94 0.00 1.64 -4.77 -1.25 -4.70 116.67 114.17 2cru s ASP 22 Ca 0.01 -0.21 0.09 0.00 -3.30 0.00 0.00 52.55 49.15 2cru s ASP 22 Cb -0.21 -1.15 0.53 0.00 -1.09 0.00 0.00 42.92 41.00 2cru s ASP 22 CO -0.01 0.17 0.98 -0.81 0.70 0.00 0.00 175.17 176.20 2cru n PRO 23 N 0.57 0.49 -0.21 2.11 -0.04 -1.26 -4.15 135.00 132.51 2cru n PRO 23 Ca -0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2cru n PRO 23 Cb 0.52 -1.28 0.19 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.01 -0.81 0.32 0.55 0.00 -1.26 0.11 105.19 104.09 2cru n GLY 24 Ca 0.07 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.64 2cru n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cru h ASP 25 N 0.00 -1.02 -1.01 1.61 3.32 -2.02 0.11 116.42 117.40 2cru h ASP 25 Ca 0.38 0.21 0.35 0.00 0.02 0.00 0.00 57.03 58.00 2cru h ASP 25 Cb 0.81 0.52 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 2cru h ASP 25 CO -0.57 -0.29 0.65 0.00 -1.72 0.00 0.00 179.24 177.31 2cru n ALA 26 N -3.11 1.01 -0.07 3.45 0.00 0.31 0.24 120.51 122.33 2cru n ALA 26 Ca 0.04 0.65 -0.11 0.00 0.00 0.00 0.00 53.44 54.02 2cru n ALA 26 Cb 0.35 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 2cru n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru h ALA 27 N 1.19 0.28 -0.69 0.00 0.00 -0.89 -1.84 119.26 117.31 2cru h ALA 27 Ca 0.65 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 2cru h ALA 27 Cb 2.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2cru h ALA 27 CO -0.35 -0.01 0.43 -0.56 0.00 0.00 0.00 179.25 178.76 2cru h GLN 28 N 0.13 0.94 -0.79 0.00 3.07 0.30 -2.52 115.11 116.24 2cru h GLN 28 Ca 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 58.65 58.68 2cru h GLN 28 Cb 0.38 -0.20 -0.04 0.00 0.08 0.00 0.00 27.48 27.71 2cru h GLN 28 CO 0.01 0.66 0.33 1.96 0.09 0.00 0.00 178.83 181.87 2cru h GLN 29 N 0.94 1.18 -0.04 0.06 4.20 -1.31 -2.08 115.11 118.06 2cru h GLN 29 Ca 0.25 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2cru h GLN 29 Cb -0.05 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.49 2cru h GLN 29 CO -0.05 0.95 -0.29 0.93 -0.67 0.00 0.00 178.83 179.70 2cru h GLU 30 N 1.15 -0.40 0.00 1.46 4.39 -0.89 0.97 114.58 121.26 2cru h GLU 30 Ca 0.27 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2cru h GLU 30 Cb 0.20 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2cru h GLU 30 CO -0.02 -0.27 0.00 0.00 -1.16 0.00 0.00 179.01 177.56 2cru n ALA 31 N -2.74 1.60 0.07 3.43 0.00 -1.11 -2.19 120.51 119.57 2cru n ALA 31 Ca -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 2cru n ALA 31 Cb 0.31 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 2cru n ALA 31 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2cru h LYS 32 N 0.00 0.00 0.00 0.00 1.57 -0.15 -3.25 116.57 114.74 2cru h LYS 32 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2cru h LYS 32 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2cru h LYS 32 CO 0.00 0.88 -0.17 1.25 -0.57 0.00 0.00 179.45 180.84 2cru h HIS 33 N 0.00 0.00 -0.43 -1.35 2.76 -0.67 -2.97 115.15 112.49 2cru h HIS 33 Ca -0.03 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2cru h HIS 33 Cb 1.73 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.60 2cru h HIS 33 CO 0.00 0.17 -0.18 0.00 -1.30 0.00 0.00 177.93 176.63 2cru h ARG 34 N 0.00 -0.08 -1.13 5.26 2.47 -1.66 0.25 114.38 119.49 2cru h ARG 34 Ca -0.00 0.01 0.32 0.00 -1.26 0.00 0.00 59.98 59.04 2cru h ARG 34 Cb 0.34 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.61 2cru h ARG 34 CO 0.02 -0.06 0.78 0.93 0.56 0.00 0.00 179.97 182.21 2cru h GLU 35 N -0.09 0.11 0.01 0.04 5.08 -1.73 0.56 114.58 118.58 2cru h GLU 35 Ca 0.21 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 2cru h GLU 35 Cb 0.41 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2cru h GLU 35 CO -0.49 0.07 -1.46 0.00 -1.00 0.00 0.00 179.01 176.13 2cru h ALA 36 N 1.48 0.58 -0.13 3.43 0.00 -0.78 -3.02 119.26 120.82 2cru h ALA 36 Ca 0.57 -1.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 2cru h ALA 36 Cb 2.01 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 2cru h ALA 36 CO -0.10 1.43 -0.60 0.93 0.00 0.00 0.00 179.25 180.91 2cru h GLU 37 N 0.01 0.45 0.07 0.00 4.39 0.22 -0.62 114.58 119.09 2cru h GLU 37 Ca -0.19 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 2cru h GLU 37 Cb 1.93 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 2cru h GLU 37 CO 0.10 0.91 -0.03 0.00 -1.16 0.00 0.00 179.01 178.84 2cru h MET 38 N 0.34 -0.09 -0.16 2.33 -0.00 -0.71 -3.08 114.93 113.56 2cru h MET 38 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.66 2cru h MET 38 Cb 1.14 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 2cru h MET 38 CO 0.11 0.49 -0.08 0.07 -0.00 0.00 0.00 176.91 177.50 2cru h ARG 39 N -0.83 0.25 -0.66 -0.10 0.11 -1.61 -1.37 114.38 110.17 2cru h ARG 39 Ca -0.01 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2cru h ARG 39 Cb 0.62 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.63 2cru h ARG 39 CO 0.02 0.34 0.36 -0.91 0.10 0.00 0.00 179.97 179.88 2cru h ASN 40 N 0.24 0.82 -0.04 0.08 2.35 -1.17 0.17 115.58 118.03 2cru h ASN 40 Ca 0.05 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2cru h ASN 40 Cb 0.30 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.47 2cru h ASN 40 CO 0.01 0.68 -0.41 0.28 -1.65 0.00 0.00 177.43 176.34 2cru h SER 41 N 0.90 0.43 0.48 5.81 0.02 -1.37 -2.71 113.55 117.12 2cru h SER 41 Ca 0.23 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2cru h SER 41 Cb 0.04 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2cru h SER 41 CO -0.04 1.07 -0.05 0.40 -1.14 0.00 0.00 176.83 177.08 2cru h ILE 42 N -0.17 0.21 0.22 3.27 2.04 -1.16 -1.91 117.51 120.02 2cru h ILE 42 Ca -0.04 -0.38 -0.33 0.00 1.00 0.00 0.00 64.86 65.12 2cru h ILE 42 Cb 1.10 1.30 0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2cru h ILE 42 CO 0.08 0.05 -1.45 -0.07 0.00 0.00 0.00 178.15 176.75 2cru h LEU 43 N 0.00 0.74 -0.34 1.44 3.38 -0.63 -3.06 115.31 116.85 2cru h LEU 43 Ca -0.00 -0.81 -0.14 0.00 0.09 0.00 0.00 57.88 57.02 2cru h LEU 43 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2cru h LEU 43 CO 0.01 1.64 -0.35 0.00 0.09 0.00 0.00 178.44 179.83 2cru h ALA 44 N 0.25 0.50 -0.48 1.53 0.00 -1.13 0.14 119.26 120.07 2cru h ALA 44 Ca -0.24 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2cru h ALA 44 Cb 2.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2cru h ALA 44 CO 0.25 0.57 0.12 -0.56 0.00 0.00 0.00 179.25 179.63 2cru h GLN 45 N 0.62 0.72 0.00 0.00 3.07 -1.48 -2.32 115.11 115.72 2cru h GLN 45 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2cru h GLN 45 Cb 0.93 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.38 2cru h GLN 45 CO 0.09 0.65 -0.64 -0.39 0.09 0.00 0.00 178.83 178.62 2cru h VAL 46 N 0.70 0.00 -1.53 1.86 -1.51 -1.45 -3.41 116.25 110.91 2cru h VAL 46 Ca 0.16 -0.78 -0.50 0.00 -1.23 0.00 0.00 66.70 64.34 2cru h VAL 46 Cb 0.25 1.42 -0.04 0.00 -2.13 0.00 0.00 31.29 30.80 2cru h VAL 46 CO -0.00 0.00 -0.40 -0.76 -1.23 0.00 0.00 177.57 175.18 2cru s LEU 47 N -5.04 3.35 0.17 4.19 1.43 0.47 -0.13 118.68 123.12 2cru s LEU 47 Ca 0.04 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2cru s LEU 47 Cb 0.10 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2cru s LEU 47 CO 0.73 -0.64 -0.14 -0.62 0.23 0.00 0.00 176.35 175.92 2cru s ASP 48 N -4.09 2.28 0.31 2.29 2.15 -0.25 -4.51 116.67 114.83 2cru s ASP 48 Ca 0.47 -0.97 0.10 0.00 0.43 0.00 0.00 52.55 52.58 2cru s ASP 48 Cb -0.02 -0.09 0.93 0.00 -0.30 0.00 0.00 42.92 43.44 2cru s ASP 48 CO 0.27 -0.20 1.42 1.67 -0.17 0.00 0.00 175.17 178.16 2cru n GLN 49 N -0.12 -0.06 0.00 4.34 -0.06 -1.26 -0.88 117.38 119.34 2cru n GLN 49 Ca -0.10 1.30 0.00 0.00 -2.00 0.00 0.00 57.00 56.20 2cru n GLN 49 Cb 0.60 -2.19 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 2cru n GLN 49 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2cru n SER 50 N -5.19 0.00 -0.16 1.69 7.64 -1.26 -2.82 113.62 113.52 2cru n SER 50 Ca 0.27 0.95 -0.05 0.00 1.01 0.00 0.00 58.87 61.05 2cru n SER 50 Cb 0.91 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.83 0.00 -0.78 -0.43 0.00 -1.38 -0.22 119.26 114.63 2cru h ALA 51 Ca 0.00 0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.33 2cru h ALA 51 Cb 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 2cru h ALA 51 CO 0.00 -0.64 0.20 0.54 0.00 0.00 0.00 179.25 179.36 2cru n ARG 52 N -5.42 -0.05 0.45 0.00 5.12 -0.06 0.09 116.66 116.78 2cru n ARG 52 Ca 0.03 1.12 -0.18 0.00 -1.93 0.00 0.00 57.85 56.90 2cru n ARG 52 Cb 0.34 -1.88 -0.08 0.00 -1.16 0.00 0.00 32.46 29.67 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 1.55 -1.22 0.09 7.54 0.00 -0.86 -0.21 119.26 126.15 2cru h ALA 53 Ca 0.56 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2cru h ALA 53 Cb 1.33 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2cru h ALA 53 CO -0.67 -1.14 -0.34 -0.09 0.00 0.00 0.00 179.25 177.01 2cru h ARG 54 N -1.24 -0.54 -0.24 0.00 9.65 -0.34 0.15 114.38 121.82 2cru h ARG 54 Ca -0.12 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 2cru h ARG 54 Cb 0.89 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.52 2cru h ARG 54 CO 0.19 -0.36 -0.29 1.25 2.80 0.00 0.00 179.97 183.56 2cru h LEU 55 N -0.56 -0.94 -1.04 3.80 5.85 -0.87 -0.60 115.31 120.95 2cru h LEU 55 Ca 0.04 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2cru h LEU 55 Cb 0.60 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 2cru h LEU 55 CO -0.22 -0.32 0.64 0.28 -0.34 0.00 0.00 178.44 178.48 2cru h SER 56 N -0.30 1.01 -0.29 1.25 0.02 -0.69 -0.65 113.55 113.89 2cru h SER 56 Ca 0.13 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2cru h SER 56 Cb 0.51 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2cru h SER 56 CO -0.42 0.64 0.19 0.78 -1.14 0.00 0.00 176.83 176.89 2cru h ASN 57 N 1.14 0.28 1.06 3.07 4.21 0.81 -0.72 115.58 125.43 2cru h ASN 57 Ca 0.43 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.82 2cru h ASN 57 Cb 0.18 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 2cru h ASN 57 CO -0.17 0.20 -0.51 0.25 -1.29 0.00 0.00 177.43 175.91 2cru h LEU 58 N 0.32 0.00 0.00 1.61 5.85 -0.18 -2.99 115.31 119.93 2cru h LEU 58 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2cru h LEU 58 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2cru h LEU 58 CO -0.02 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 2cru n ALA 59 N -2.29 1.62 -0.04 1.25 0.00 -0.28 -1.51 120.51 119.27 2cru n ALA 59 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2cru n ALA 59 Cb 0.64 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 2cru n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cru n LEU 60 N -1.29 0.82 0.11 0.00 4.77 -1.13 -3.94 117.00 116.35 2cru n LEU 60 Ca 0.05 0.17 0.16 0.00 -0.03 0.00 0.00 56.01 56.36 2cru n LEU 60 Cb 0.08 -0.61 0.70 0.00 -2.33 0.00 0.00 43.42 41.26 2cru n LEU 60 CO 0.07 -0.41 1.14 1.62 -1.33 0.00 0.00 177.39 178.49 2cru h VAL 61 N -0.43 0.76 -0.33 4.08 3.04 -1.62 -3.40 116.25 118.36 2cru h VAL 61 Ca 0.00 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.91 2cru h VAL 61 Cb 0.40 0.83 -0.20 0.00 -2.01 0.00 0.00 31.29 30.31 2cru h VAL 61 CO 0.00 0.00 0.04 -1.59 -1.01 0.00 0.00 177.57 175.01 2cru s LYS 62 N -4.96 0.18 0.26 4.17 -2.85 -0.57 -5.04 119.74 110.93 2cru s LYS 62 Ca -0.05 0.25 0.03 0.00 -1.00 0.00 0.00 55.97 55.21 2cru s LYS 62 Cb 0.18 0.13 0.33 0.00 -2.06 0.00 0.00 37.83 36.41 2cru s LYS 62 CO 0.68 -0.27 1.63 -1.00 0.10 0.00 0.00 175.35 176.49 2cru h PRO 63 N 7.67 0.35 -0.05 1.78 0.13 -1.68 -3.30 132.00 136.90 2cru h PRO 63 Ca -0.11 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2cru h PRO 63 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2cru h PRO 63 CO -0.09 0.74 -0.20 0.93 -0.23 0.00 0.00 178.00 179.15 2cru h GLU 64 N 0.28 -0.20 -0.98 0.86 4.39 -1.93 0.30 114.58 117.29 2cru h GLU 64 Ca 0.02 0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.02 2cru h GLU 64 Cb 0.91 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.47 2cru h GLU 64 CO 0.08 -0.14 0.54 -0.22 -1.16 0.00 0.00 179.01 178.11 2cru h LYS 65 N -0.21 0.39 -0.37 2.33 1.63 -1.92 0.58 116.57 118.99 2cru h LYS 65 Ca 0.01 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 2cru h LYS 65 Cb 0.25 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2cru h LYS 65 CO -0.16 0.26 -0.14 1.15 -3.45 0.00 0.00 179.45 177.10 2cru h THR 66 N 0.40 1.25 -0.38 1.00 2.02 -1.27 -3.01 112.91 112.93 2cru h THR 66 Ca 0.68 -1.17 0.07 0.00 0.77 0.00 0.00 66.41 66.76 2cru h THR 66 Cb 1.44 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.91 2cru h THR 66 CO -0.56 0.39 0.01 0.50 0.37 0.00 0.00 175.52 176.22 2cru h LYS 67 N 0.61 0.11 0.81 6.66 3.64 0.38 -0.92 116.57 127.87 2cru h LYS 67 Ca 0.10 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2cru h LYS 67 Cb 0.59 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2cru h LYS 67 CO 0.04 0.07 -0.40 0.00 -2.27 0.00 0.00 179.45 176.89 2cru h ALA 68 N 1.33 -1.29 -0.66 5.00 0.00 -1.40 -2.29 119.26 119.95 2cru h ALA 68 Ca 0.19 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2cru h ALA 68 Cb 0.26 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 2cru h ALA 68 CO -0.31 -1.22 -0.46 0.28 0.00 0.00 0.00 179.25 177.55 2cru h VAL 69 N -1.10 0.06 -0.40 0.00 2.07 -1.40 0.27 116.25 115.74 2cru h VAL 69 Ca -0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2cru h VAL 69 Cb 0.84 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 2cru h VAL 69 CO 0.18 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 177.03 2cru h GLU 70 N -0.19 -0.30 -0.48 1.57 5.08 -1.16 0.20 114.58 119.30 2cru h GLU 70 Ca 0.18 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2cru h GLU 70 Cb 0.55 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2cru h GLU 70 CO -0.74 -0.20 0.32 -0.91 -1.00 0.00 0.00 179.01 176.48 2cru h ASN 71 N -0.31 0.44 0.11 1.42 2.35 -0.59 -0.72 115.58 118.28 2cru h ASN 71 Ca 0.15 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2cru h ASN 71 Cb 0.58 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2cru h ASN 71 CO -0.57 0.30 -0.18 0.22 -1.65 0.00 0.00 177.43 175.56 2cru h TYR 72 N 0.51 0.15 0.17 1.19 3.20 0.25 -3.02 116.97 119.42 2cru h TYR 72 Ca 0.20 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2cru h TYR 72 Cb 0.15 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2cru h TYR 72 CO -0.00 0.32 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.69 2cru h LEU 73 N 0.13 -0.19 -0.81 2.82 3.38 0.28 -3.13 115.31 117.79 2cru h LEU 73 Ca 0.03 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.15 2cru h LEU 73 Cb 0.40 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 2cru h LEU 73 CO 0.03 0.23 -0.26 -0.38 0.09 0.00 0.00 178.44 178.15 2cru n ILE 74 N -4.64 -0.38 -0.10 1.22 -0.00 -0.88 0.12 119.36 114.70 2cru n ILE 74 Ca -0.03 1.87 -0.07 0.00 -0.00 0.00 0.00 62.75 64.52 2cru n ILE 74 Cb 0.09 -2.53 0.01 0.00 -0.00 0.00 0.00 39.64 37.21 2cru n ILE 74 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 2cru h GLN 75 N 0.00 0.27 -0.41 0.38 1.08 -1.66 -1.11 115.11 113.66 2cru h GLN 75 Ca 0.34 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.60 2cru h GLN 75 Cb 0.54 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2cru h GLN 75 CO -0.82 0.18 0.28 0.52 -0.95 0.00 0.00 178.83 178.04 2cru h MET 76 N 0.28 0.21 0.11 1.46 2.86 0.97 -2.30 114.93 118.53 2cru h MET 76 Ca 0.15 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2cru h MET 76 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2cru h MET 76 CO -0.14 0.14 -0.05 0.00 1.06 0.00 0.00 176.91 177.91 2cru h ALA 77 N 1.79 -0.15 -0.25 6.32 0.00 0.07 -2.54 119.26 124.50 2cru h ALA 77 Ca 0.19 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2cru h ALA 77 Cb 0.46 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2cru h ALA 77 CO -0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 179.25 178.57 2cru h ARG 78 N -0.75 -0.35 -0.54 0.00 3.08 -0.86 -1.57 114.38 113.40 2cru h ARG 78 Ca -0.02 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2cru h ARG 78 Cb 0.55 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.59 2cru h ARG 78 CO 0.03 -0.23 0.03 1.88 -1.07 0.00 0.00 179.97 180.60 2cru h TYR 79 N -0.36 0.02 0.00 3.04 -1.99 -1.53 -3.46 116.97 112.68 2cru h TYR 79 Ca 0.12 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2cru h TYR 79 Cb 0.56 0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.37 2cru h TYR 79 CO -0.49 -0.10 0.00 0.41 -0.00 0.00 0.00 178.16 177.98 2cru n GLY 80 N -1.32 1.09 0.14 3.88 0.00 -0.59 -5.05 105.19 103.34 2cru n GLY 80 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.71 -2.12 1.61 1.13 -0.98 -4.94 117.38 112.74 2cru n GLN 81 Ca 0.00 0.21 -0.38 0.00 -1.94 0.00 0.00 57.00 54.89 2cru n GLN 81 Cb 0.00 -1.63 -0.00 0.00 0.11 0.00 0.00 30.24 28.72 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 -6.81 4.07 0.02 1.08 1.43 -1.25 -4.97 118.68 112.24 2cru s LEU 82 Ca -0.28 2.49 -0.05 0.00 -1.03 0.00 0.00 54.13 55.27 2cru s LEU 82 Cb 0.08 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 2cru s LEU 82 CO 0.70 -0.98 -0.09 -1.20 0.23 0.00 0.00 176.35 175.00 2cru n SER 83 N -0.33 1.27 -4.83 2.29 7.64 -1.26 -5.03 113.62 113.36 2cru n SER 83 Ca 0.06 0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.90 2cru n SER 83 Cb 0.46 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 2cru n SER 83 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2cru s GLU 84 N -2.18 2.39 -0.20 1.43 8.01 -1.26 -5.06 118.70 121.83 2cru s GLU 84 Ca -0.08 -1.71 -0.29 0.00 0.01 0.00 0.00 54.97 52.90 2cru s GLU 84 Cb 0.01 -2.20 -0.03 0.00 -4.31 0.00 0.00 34.13 27.60 2cru s GLU 84 CO 0.11 -0.23 1.65 0.15 0.01 0.00 0.00 175.26 176.95 2cru s LYS 85 N -4.08 3.81 0.09 1.61 1.02 -1.26 -4.86 119.74 116.06 2cru s LYS 85 Ca 0.44 1.73 -0.31 0.00 0.02 0.00 0.00 55.97 57.85 2cru s LYS 85 Cb -0.01 -4.05 -0.09 0.00 -0.52 0.00 0.00 37.83 33.17 2cru s LYS 85 CO 0.25 -1.28 1.74 0.08 -0.92 0.00 0.00 175.35 175.22 2cru s VAL 86 N 5.20 2.84 0.64 3.17 1.01 0.82 -4.46 120.40 129.61 2cru s VAL 86 Ca 0.73 0.29 0.06 0.00 0.00 0.00 0.00 61.98 63.06 2cru s VAL 86 Cb -0.26 -3.18 0.11 0.00 0.00 0.00 0.00 36.38 33.04 2cru s VAL 86 CO 0.30 -0.00 0.88 -0.44 0.00 0.00 0.00 175.10 175.83 2cru s SER 87 N 2.66 4.78 0.20 3.32 0.01 -1.26 -1.10 113.70 122.32 2cru s SER 87 Ca 0.78 -0.73 -0.14 0.00 1.31 0.00 0.00 55.95 57.17 2cru s SER 87 Cb -0.42 0.28 0.23 0.00 0.21 0.00 0.00 66.02 66.32 2cru s SER 87 CO 0.34 -1.58 1.32 1.21 0.41 0.00 0.00 173.24 174.95 2cru n GLU 88 N -2.48 -0.18 0.00 12.44 2.13 -1.26 -0.68 120.64 130.60 2cru n GLU 88 Ca 0.16 1.31 0.00 0.00 0.66 0.00 0.00 57.16 59.30 2cru n GLU 88 Cb 0.61 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.37 2cru n GLU 88 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2cru n GLN 89 N -5.27 0.00 -0.28 5.31 6.02 -1.26 -1.49 117.38 120.41 2cru n GLN 89 Ca 0.09 0.37 0.21 0.00 -0.01 0.00 0.00 57.00 57.67 2cru n GLN 89 Cb 0.35 -1.28 0.39 0.00 1.02 0.00 0.00 30.24 30.73 2cru n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cru n GLY 90 N -0.82 -0.83 0.00 1.08 0.00 -0.81 -1.61 105.19 102.20 2cru n GLY 90 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2cru n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cru n LEU 91 N -5.01 0.07 -0.20 0.99 7.94 0.14 -2.79 117.00 118.14 2cru n LEU 91 Ca 0.27 0.77 0.17 0.00 -1.11 0.00 0.00 56.01 56.11 2cru n LEU 91 Cb 0.90 -0.30 0.32 0.00 0.53 0.00 0.00 43.42 44.87 2cru n LEU 91 CO -0.02 -0.30 0.61 -0.38 -1.11 0.00 0.00 177.39 176.19 2cru n ILE 92 N -1.40 -0.26 -0.08 1.96 5.41 -0.56 0.25 119.36 124.69 2cru n ILE 92 Ca 0.00 1.27 -0.07 0.00 1.00 0.00 0.00 62.75 64.94 2cru n ILE 92 Cb 0.00 -2.01 -0.00 0.00 -0.71 0.00 0.00 39.64 36.92 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 0.18 -0.27 0.38 4.39 -1.31 -1.92 114.58 116.04 2cru h GLU 93 Ca 0.49 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.12 2cru h GLU 93 Cb 1.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2cru h GLU 93 CO -0.49 0.12 -0.09 0.82 -1.16 0.00 0.00 179.01 178.20 2cru h ILE 94 N 0.19 1.21 -0.32 3.13 2.04 0.35 -2.38 117.51 121.72 2cru h ILE 94 Ca 0.13 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.18 2cru h ILE 94 Cb 0.12 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2cru h ILE 94 CO -0.16 0.29 0.22 -0.07 0.00 0.00 0.00 178.15 178.44 2cru h LEU 95 N 0.40 0.04 -0.54 1.44 -0.00 -0.65 0.42 115.31 116.43 2cru h LEU 95 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2cru h LEU 95 Cb 0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2cru h LEU 95 CO 0.02 0.03 -0.00 0.29 -0.00 0.00 0.00 178.44 178.78 2cru n LYS 96 N -4.46 1.36 -0.08 1.13 4.01 -0.90 -3.35 118.16 115.88 2cru n LYS 96 Ca 0.04 -0.54 -0.08 0.00 -0.51 0.00 0.00 58.31 57.23 2cru n LYS 96 Cb 0.36 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.37 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 -0.35 0.47 -0.32 1.97 5.02 0.14 -4.25 118.16 120.84 2cru n LYS 97 Ca 0.21 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.78 2cru n LYS 97 Cb 0.25 -1.32 0.30 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.88 0.88 -0.67 -0.18 3.04 -1.40 -0.94 116.25 116.10 2cru h VAL 98 Ca 0.00 -0.30 0.05 0.00 -1.01 0.00 0.00 66.70 65.44 2cru h VAL 98 Cb 0.88 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 30.06 2cru h VAL 98 CO 0.00 0.16 0.39 -1.28 -1.01 0.00 0.00 177.57 175.83 2cru h SER 99 N 0.87 0.61 0.12 3.17 0.87 -1.79 -2.96 113.55 114.43 2cru h SER 99 Ca 0.47 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 2cru h SER 99 Cb 0.58 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2cru h SER 99 CO -0.24 0.41 -0.06 1.56 -0.53 0.00 0.00 176.83 177.97 2cru h GLN 100 N 0.74 -0.16 -2.44 2.24 1.08 -1.40 -3.49 115.11 111.68 2cru h GLN 100 Ca 0.29 0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.67 2cru h GLN 100 Cb 0.12 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 2cru h GLN 100 CO -0.15 0.26 0.58 -1.14 -0.95 0.00 0.00 178.83 177.43 2cru s GLN 101 N -4.24 1.23 -0.02 1.46 0.74 -0.52 -5.08 119.66 113.23 2cru s GLN 101 Ca -0.15 -0.77 -0.00 0.00 0.05 0.00 0.00 55.36 54.49 2cru s GLN 101 Cb 0.02 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.48 2cru s GLN 101 CO 0.59 -0.58 -0.02 -2.37 -0.55 0.00 0.00 175.29 172.37 2cru n THR 102 N -0.65 0.09 0.21 -0.34 5.66 -1.26 -3.71 114.28 114.28 2cru n THR 102 Ca -0.04 -0.03 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 2cru n THR 102 Cb 0.60 -0.82 -0.08 0.00 -1.55 0.00 0.00 70.33 68.48 2cru n THR 102 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2cru h GLU 103 N -0.02 -0.72 -3.19 1.09 4.22 -1.98 -3.45 114.58 110.53 2cru h GLU 103 Ca -0.04 0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 2cru h GLU 103 Cb 1.05 0.16 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 2cru h GLU 103 CO -0.01 -0.48 -0.35 0.15 -2.18 0.00 0.00 179.01 176.14 2cru s LYS 104 N -5.15 0.60 -0.28 1.92 -0.14 -1.26 -5.14 119.74 110.29 2cru s LYS 104 Ca -0.13 -0.24 0.03 0.00 -1.36 0.00 0.00 55.97 54.27 2cru s LYS 104 Cb 0.03 0.26 0.07 0.00 -1.68 0.00 0.00 37.83 36.51 2cru s LYS 104 CO 0.45 -0.16 -0.06 0.95 -0.76 0.00 0.00 175.35 175.78 2cru s THR 105 N -1.29 2.29 0.00 2.17 -4.23 -1.26 -4.72 115.64 108.60 2cru s THR 105 Ca -0.13 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2cru s THR 105 Cb -0.06 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2cru s THR 105 CO 0.03 -0.17 0.00 0.35 -0.54 0.00 0.00 174.62 174.29 2cru n THR 106 N 4.41 0.00 -4.34 3.99 -2.24 -1.26 -5.02 114.28 109.82 2cru n THR 106 Ca -0.10 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 2cru n THR 106 Cb 0.42 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2cru n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cru n THR 107 N -2.43 -0.58 -3.76 4.28 -2.24 -1.26 -4.90 114.28 103.38 2cru n THR 107 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2cru n THR 107 Cb 0.29 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 2cru n THR 107 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cru s VAL 108 N -3.25 0.09 -0.17 2.28 -7.23 -1.26 -5.08 120.40 105.78 2cru s VAL 108 Ca 0.78 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 2cru s VAL 108 Cb -0.44 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 2cru s VAL 108 CO 0.96 -0.43 -0.23 1.17 -0.31 0.00 0.00 175.10 176.26 2cru n LYS 109 N 0.33 0.37 -4.27 4.82 3.00 -1.26 -5.03 118.16 116.12 2cru n LYS 109 Ca -0.17 0.16 -0.30 0.00 -0.00 0.00 0.00 58.31 57.99 2cru n LYS 109 Cb 0.61 -1.12 -0.10 0.00 0.00 0.00 0.00 35.03 34.42 2cru n LYS 109 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2cru s PHE 110 N -2.33 2.83 0.16 5.64 0.40 -1.26 -5.13 117.98 118.29 2cru s PHE 110 Ca -0.24 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 2cru s PHE 110 Cb 0.09 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2cru s PHE 110 CO 0.31 0.42 0.07 0.54 0.70 0.00 0.00 175.22 177.26 2cru s ASN 111 N -2.01 5.18 0.35 1.36 4.22 -1.26 -5.14 114.94 117.65 2cru s ASN 111 Ca 0.21 -0.23 0.08 0.00 -2.14 0.00 0.00 52.86 50.78 2cru s ASN 111 Cb -0.11 -1.25 -0.07 0.00 1.28 0.00 0.00 41.25 41.10 2cru s ASN 111 CO 0.13 0.09 -0.05 -0.13 -2.04 0.00 0.00 177.10 175.10 2cru s ARG 112 N -2.93 1.81 -0.02 3.55 1.81 -1.26 -5.15 118.95 116.76 2cru s ARG 112 Ca 0.29 -1.97 0.05 0.00 -1.72 0.00 0.00 55.73 52.39 2cru s ARG 112 Cb -0.10 -1.55 -0.01 0.00 -0.45 0.00 0.00 34.95 32.84 2cru s ARG 112 CO 0.21 0.05 -0.19 -1.12 -0.68 0.00 0.00 175.30 173.57 2cru s SER 113 N -3.61 2.25 -0.71 0.23 0.01 -1.26 -4.87 113.70 105.75 2cru s SER 113 Ca 0.33 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 2cru s SER 113 Cb 0.05 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2cru s SER 113 CO 0.16 0.21 0.50 0.61 0.41 0.00 0.00 173.24 175.14 2cru n GLY 114 N 2.76 -1.07 0.22 3.44 0.00 -1.26 -4.80 105.19 104.48 2cru n GLY 114 Ca -0.16 0.49 0.15 0.00 0.00 0.00 0.00 46.02 46.51 2cru n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru h PRO 115 N -0.16 0.00 0.00 1.61 0.13 -2.05 -3.22 132.00 128.31 2cru h PRO 115 Ca -0.54 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.47 2cru h PRO 115 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2cru h PRO 115 CO 0.31 0.00 -0.68 0.77 -0.23 0.00 0.00 178.00 178.17 2cru h SER 116 N 0.00 0.00 -5.38 1.44 0.02 -2.03 -3.49 113.55 104.12 2cru h SER 116 Ca 0.00 -0.55 -0.33 0.00 -0.84 0.00 0.00 61.79 60.07 2cru h SER 116 Cb 0.44 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.12 2cru h SER 116 CO 0.00 1.17 -0.66 -1.20 -1.14 0.00 0.00 176.83 174.99 2cru n SER 117 N -4.54 -3.90 0.00 3.07 7.64 -1.22 -5.28 113.62 109.39 2cru n SER 117 Ca -0.20 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2cru n SER 117 Cb 0.51 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2cru n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64