#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cru n SER 2 N 0.00 0.83 -4.81 1.61 7.64 -1.26 -5.07 113.62 112.56 2cru n SER 2 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2cru n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2cru n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cru s SER 3 N -4.59 7.06 0.00 6.43 1.04 -1.26 -5.07 113.70 117.31 2cru s SER 3 Ca 0.00 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2cru s SER 3 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2cru s SER 3 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cru n GLY 4 N -0.14 6.02 3.24 7.32 0.00 -1.26 -5.18 105.19 115.19 2cru n GLY 4 Ca 0.04 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 1.00 0.15 0.01 1.61 0.15 -1.26 -5.17 113.70 110.18 2cru s SER 5 Ca 0.00 -0.82 0.03 0.00 0.70 0.00 0.00 55.95 55.86 2cru s SER 5 Cb 0.00 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 2cru s SER 5 CO 0.00 -0.78 -0.10 -0.44 1.20 0.00 0.00 173.24 173.12 2cru s SER 6 N -2.93 1.20 0.35 5.45 0.01 -1.26 -5.16 113.70 111.36 2cru s SER 6 Ca 0.12 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2cru s SER 6 Cb 0.05 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2cru s SER 6 CO -0.06 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2cru n GLY 7 N 2.52 0.52 3.33 3.44 0.00 -1.26 -5.14 105.19 108.61 2cru n GLY 7 Ca -0.15 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 2cru n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cru s LEU 8 N 0.00 1.61 0.32 0.99 1.02 -1.26 -5.19 118.68 116.18 2cru s LEU 8 Ca 0.00 -1.72 0.03 0.00 0.02 0.00 0.00 54.13 52.46 2cru s LEU 8 Cb 0.00 0.75 -0.05 0.00 0.02 0.00 0.00 46.19 46.92 2cru s LEU 8 CO 0.00 -1.12 0.10 0.00 0.02 0.00 0.00 176.35 175.35 2cru s ARG 9 N -3.33 1.63 0.33 1.70 3.03 -1.26 -5.18 118.95 115.88 2cru s ARG 9 Ca 0.39 -1.93 0.07 0.00 2.03 0.00 0.00 55.73 56.29 2cru s ARG 9 Cb 0.02 -0.50 -0.03 0.00 -1.03 0.00 0.00 34.95 33.41 2cru s ARG 9 CO 0.27 -0.33 0.29 1.03 -1.13 0.00 0.00 175.30 175.43 2cru s ARG 10 N -3.88 1.77 0.51 3.89 0.52 -1.26 -5.18 118.95 115.32 2cru s ARG 10 Ca 0.34 -2.02 0.03 0.00 -0.52 0.00 0.00 55.73 53.56 2cru s ARG 10 Cb 0.06 0.33 0.10 0.00 0.52 0.00 0.00 34.95 35.96 2cru s ARG 10 CO 0.15 -0.66 0.70 0.00 0.02 0.00 0.00 175.30 175.51 2cru n GLN 11 N -0.63 0.32 -4.27 3.54 10.64 -1.26 -5.14 117.38 120.59 2cru n GLN 11 Ca 0.07 -2.20 -0.15 0.00 -1.83 0.00 0.00 57.00 52.89 2cru n GLN 11 Cb 0.62 -0.37 -0.10 0.00 -0.86 0.00 0.00 30.24 29.53 2cru n GLN 11 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 2cru s ARG 12 N -4.27 1.14 0.48 2.61 3.03 -1.26 -5.17 118.95 115.50 2cru s ARG 12 Ca 0.49 -1.53 0.02 0.00 2.03 0.00 0.00 55.73 56.74 2cru s ARG 12 Cb -0.03 -0.55 0.02 0.00 -1.03 0.00 0.00 34.95 33.36 2cru s ARG 12 CO 0.32 -0.01 0.18 1.28 -1.13 0.00 0.00 175.30 175.94 2cru n LEU 13 N -0.26 0.00 -4.79 -1.89 7.99 -1.26 -5.16 117.00 111.62 2cru n LEU 13 Ca -0.08 -2.73 -0.27 0.00 -0.01 0.00 0.00 56.01 52.92 2cru n LEU 13 Cb 0.62 0.15 -0.05 0.00 -0.11 0.00 0.00 43.42 44.02 2cru n LEU 13 CO 0.34 -0.48 -0.12 0.00 -1.51 0.00 0.00 177.39 175.62 2cru s ALA 14 N -2.75 3.93 0.22 -1.18 0.00 -1.26 -5.15 121.76 115.57 2cru s ALA 14 Ca 0.13 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.63 2cru s ALA 14 Cb -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2cru s ALA 14 CO 0.08 -0.22 0.09 -2.00 0.00 0.00 0.00 175.76 173.72 2cru s GLU 15 N -4.01 2.65 0.49 0.00 2.12 -1.26 -5.14 118.70 113.55 2cru s GLU 15 Ca 0.32 -1.12 0.07 0.00 0.36 0.00 0.00 54.97 54.60 2cru s GLU 15 Cb 0.02 -2.43 0.07 0.00 0.26 0.00 0.00 34.13 32.04 2cru s GLU 15 CO 0.18 0.42 0.55 1.28 -0.54 0.00 0.00 175.26 177.16 2cru n LEU 16 N -0.70 0.00 0.00 2.70 4.77 -1.26 -5.15 117.00 117.36 2cru n LEU 16 Ca -0.08 -2.28 -0.27 0.00 -0.03 0.00 0.00 56.01 53.35 2cru n LEU 16 Cb 0.57 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2cru n LEU 16 CO 0.41 -0.63 -0.13 0.00 -1.33 0.00 0.00 177.39 175.72 2cru n GLN 17 N -1.90 0.89 -4.22 3.23 6.02 -1.26 -5.17 117.38 114.97 2cru n GLN 17 Ca 0.08 -3.13 -0.18 0.00 -0.01 0.00 0.00 57.00 53.75 2cru n GLN 17 Cb 0.53 0.69 -0.07 0.00 1.02 0.00 0.00 30.24 32.41 2cru n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cru s ALA 18 N -2.73 1.55 -0.38 -1.58 0.00 -1.26 -5.13 121.76 112.23 2cru s ALA 18 Ca 0.08 -1.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.00 2cru s ALA 18 Cb -0.01 1.38 0.02 0.00 0.00 0.00 0.00 23.12 24.51 2cru s ALA 18 CO 0.05 -0.71 0.23 0.21 0.00 0.00 0.00 175.76 175.54 2cru s LYS 19 N -3.28 2.96 0.42 0.00 2.47 -1.26 -5.08 119.74 115.97 2cru s LYS 19 Ca 0.38 -1.00 0.08 0.00 -1.56 0.00 0.00 55.97 53.86 2cru s LYS 19 Cb 0.01 -3.79 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 2cru s LYS 19 CO 0.26 -0.67 0.52 -3.38 0.16 0.00 0.00 175.35 172.24 2cru s HIS 20 N 1.60 2.80 -0.27 4.03 -3.43 -1.26 -5.11 115.29 113.65 2cru s HIS 20 Ca 0.03 -0.42 0.02 0.00 -0.80 0.00 0.00 55.06 53.89 2cru s HIS 20 Cb -0.19 -2.32 0.07 0.00 -1.43 0.00 0.00 32.58 28.72 2cru s HIS 20 CO 0.08 -0.34 -0.02 0.20 -2.00 0.00 0.00 174.74 172.66 2cru s GLY 21 N -4.29 1.46 0.10 -1.38 0.00 -1.26 -5.09 107.32 96.85 2cru s GLY 21 Ca 0.53 -1.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 2cru s GLY 21 CO 0.32 0.96 0.65 0.99 0.00 0.00 0.00 173.10 176.02 2cru s ASP 22 N 1.27 -0.57 0.00 1.64 1.01 -1.26 -5.02 116.67 113.74 2cru s ASP 22 Ca -0.01 0.16 0.13 0.00 0.71 0.00 0.00 52.55 53.54 2cru s ASP 22 Cb -0.19 0.57 0.79 0.00 1.01 0.00 0.00 42.92 45.10 2cru s ASP 22 CO -0.09 -0.86 1.22 -0.81 0.21 0.00 0.00 175.17 174.84 2cru n PRO 23 N -0.08 0.49 -0.71 8.23 -0.04 -1.26 -4.79 135.00 136.84 2cru n PRO 23 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 2cru n PRO 23 Cb 0.63 -1.42 0.16 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.02 -2.56 2.21 0.55 0.00 -1.26 -3.87 105.19 100.24 2cru n GLY 24 Ca 0.10 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.14 -3.63 0.07 1.61 9.92 -1.26 -4.80 116.55 114.31 2cru n ASP 25 Ca 0.10 0.25 -0.04 0.00 -0.53 0.00 0.00 54.79 54.56 2cru n ASP 25 Cb 0.37 -3.23 -0.08 0.00 -0.64 0.00 0.00 41.12 37.54 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 0.91 0.52 0.00 2.24 0.00 -1.93 -3.26 119.26 117.74 2cru h ALA 26 Ca -0.28 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2cru h ALA 26 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2cru h ALA 26 CO 0.36 1.09 -0.66 0.00 0.00 0.00 0.00 179.25 180.05 2cru n ALA 27 N -2.35 3.89 0.10 0.00 0.00 -1.26 -4.07 120.51 116.82 2cru n ALA 27 Ca -0.03 -0.42 -0.18 0.00 0.00 0.00 0.00 53.44 52.82 2cru n ALA 27 Cb 0.89 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 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 0.31 -0.00 0.00 4.15 -1.94 -3.24 115.11 114.38 2cru h GLN 28 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2cru h GLN 28 Cb 0.51 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 2cru h GLN 28 CO 0.00 1.23 0.00 -0.56 -1.93 0.00 0.00 178.83 177.58 2cru h GLN 29 N 0.08 0.00 0.00 1.69 3.07 -1.70 0.66 115.11 118.91 2cru h GLN 29 Ca -0.18 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.44 2cru h GLN 29 Cb 2.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.56 2cru h GLN 29 CO 0.21 0.00 -1.00 1.05 0.09 0.00 0.00 178.83 179.18 2cru h GLU 30 N 0.00 0.00 0.03 0.06 4.11 -1.77 -2.98 114.58 114.04 2cru h GLU 30 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 2cru h GLU 30 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2cru h GLU 30 CO -0.00 0.32 -1.50 0.00 0.07 0.00 0.00 179.01 177.90 2cru h ALA 31 N 1.54 0.53 0.00 1.06 0.00 -1.01 -3.32 119.26 118.06 2cru h ALA 31 Ca -0.08 -1.24 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 2cru h ALA 31 Cb 1.42 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2cru h ALA 31 CO 0.05 1.38 -0.69 1.57 0.00 0.00 0.00 179.25 181.56 2cru h LYS 32 N 0.02 0.00 -0.50 0.00 2.10 -1.27 -3.26 116.57 113.66 2cru h LYS 32 Ca -0.21 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.36 2cru h LYS 32 Cb 1.95 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.26 2cru h LYS 32 CO 0.11 0.69 0.01 1.25 -2.00 0.00 0.00 179.45 179.51 2cru h HIS 33 N 0.00 0.88 0.46 0.07 2.76 -1.64 -3.19 115.15 114.50 2cru h HIS 33 Ca -0.01 -0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 2cru h HIS 33 Cb 1.49 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.21 2cru h HIS 33 CO 0.00 0.80 -0.22 0.00 -1.30 0.00 0.00 177.93 177.21 2cru h ARG 34 N 0.77 -0.60 -1.31 5.26 2.47 -1.66 0.35 114.38 119.67 2cru h ARG 34 Ca 0.15 0.04 0.43 0.00 -1.26 0.00 0.00 59.98 59.34 2cru h ARG 34 Cb 0.45 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 28.80 2cru h ARG 34 CO 0.02 -0.40 0.87 -0.85 0.56 0.00 0.00 179.97 180.16 2cru n GLU 35 N -3.77 -0.03 0.06 0.04 0.28 -1.23 0.22 120.64 116.22 2cru n GLU 35 Ca -0.08 1.06 -0.19 0.00 -0.16 0.00 0.00 57.16 57.79 2cru n GLU 35 Cb 0.25 -2.16 -0.14 0.00 1.43 0.00 0.00 31.44 30.81 2cru n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cru h ALA 36 N 1.29 0.27 -0.61 -1.84 0.00 -1.48 -3.23 119.26 113.67 2cru h ALA 36 Ca 0.78 -1.18 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2cru h ALA 36 Cb 2.64 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 20.79 2cru h ALA 36 CO -0.33 1.14 0.31 0.93 0.00 0.00 0.00 179.25 181.30 2cru h GLU 37 N 0.08 0.55 -0.34 0.00 4.39 0.69 0.15 114.58 120.10 2cru h GLU 37 Ca -0.31 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.25 2cru h GLU 37 Cb 2.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 2cru h GLU 37 CO 0.16 0.36 -0.23 0.00 -1.16 0.00 0.00 179.01 178.14 2cru h MET 38 N 0.57 0.67 -0.48 2.33 -0.00 -1.32 -2.93 114.93 113.75 2cru h MET 38 Ca 0.28 -0.26 -0.13 0.00 -0.00 0.00 0.00 59.70 59.59 2cru h MET 38 Cb 0.22 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 2cru h MET 38 CO -0.21 0.84 -0.21 0.00 -0.00 0.00 0.00 176.91 177.34 2cru h ARG 39 N 0.59 0.98 -0.39 -0.10 3.08 -1.33 -2.02 114.38 115.19 2cru h ARG 39 Ca 0.08 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2cru h ARG 39 Cb 0.71 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2cru h ARG 39 CO 0.05 1.09 0.19 -0.91 -1.07 0.00 0.00 179.97 179.32 2cru h ASN 40 N 0.85 0.27 -0.04 7.04 2.35 -0.60 0.84 115.58 126.29 2cru h ASN 40 Ca 0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2cru h ASN 40 Cb 0.78 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2cru h ASN 40 CO 0.06 0.20 0.00 -1.28 -1.65 0.00 0.00 177.43 174.77 2cru h SER 41 N 0.39 0.06 -0.37 5.81 0.87 -1.46 -1.41 113.55 117.44 2cru h SER 41 Ca 0.17 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2cru h SER 41 Cb 0.08 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2cru h SER 41 CO -0.12 0.34 0.25 0.40 -0.53 0.00 0.00 176.83 177.17 2cru h ILE 42 N -0.22 0.98 -0.00 2.23 2.04 -1.16 -0.65 117.51 120.73 2cru h ILE 42 Ca 0.01 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 2cru h ILE 42 Cb 0.30 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2cru h ILE 42 CO 0.00 0.06 -0.85 -0.07 0.00 0.00 0.00 178.15 177.28 2cru h LEU 43 N 0.31 0.25 -0.34 1.44 3.38 -0.62 -2.58 115.31 117.15 2cru h LEU 43 Ca 0.16 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 2cru h LEU 43 Cb 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2cru h LEU 43 CO -0.03 0.99 -0.63 0.00 0.09 0.00 0.00 178.44 178.86 2cru h ALA 44 N 0.99 0.51 -0.19 1.53 0.00 -0.07 -0.61 119.26 121.42 2cru h ALA 44 Ca -0.04 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 2cru h ALA 44 Cb 1.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2cru h ALA 44 CO 0.13 0.69 -0.51 -0.56 0.00 0.00 0.00 179.25 179.01 2cru h GLN 45 N 0.52 0.52 0.00 0.00 3.07 -1.21 -2.99 115.11 115.03 2cru h GLN 45 Ca -0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 58.65 58.40 2cru h GLN 45 Cb 1.22 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 2cru h GLN 45 CO 0.13 0.90 -0.19 -0.39 0.09 0.00 0.00 178.83 179.37 2cru h VAL 46 N 0.41 0.18 -3.33 1.86 -1.51 -1.44 -3.42 116.25 109.00 2cru h VAL 46 Ca 0.02 -1.25 -0.67 0.00 -1.23 0.00 0.00 66.70 63.56 2cru h VAL 46 Cb 1.03 2.05 -0.33 0.00 -2.13 0.00 0.00 31.29 31.91 2cru h VAL 46 CO 0.09 0.10 -0.80 -0.76 -1.23 0.00 0.00 177.57 174.98 2cru s LEU 47 N -6.19 2.70 0.94 4.19 1.43 -0.24 -1.25 118.68 120.26 2cru s LEU 47 Ca 0.06 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2cru s LEU 47 Cb 0.06 -1.59 0.16 0.00 0.03 0.00 0.00 46.19 44.85 2cru s LEU 47 CO 0.70 -0.06 1.10 -0.62 0.23 0.00 0.00 176.35 177.69 2cru s ASP 48 N 1.32 3.09 0.28 2.29 2.15 -1.06 -4.57 116.67 120.16 2cru s ASP 48 Ca 0.02 1.29 0.01 0.00 0.43 0.00 0.00 52.55 54.31 2cru s ASP 48 Cb -0.15 -1.96 0.64 0.00 -0.30 0.00 0.00 42.92 41.15 2cru s ASP 48 CO -0.08 -2.85 1.71 -0.61 -0.17 0.00 0.00 175.17 173.16 2cru h GLN 49 N -1.70 0.40 -0.06 4.34 4.15 -1.90 0.19 115.11 120.53 2cru h GLN 49 Ca -0.52 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.91 2cru h GLN 49 Cb 1.31 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 2cru h GLN 49 CO 0.57 0.26 -0.17 0.77 -1.93 0.00 0.00 178.83 178.34 2cru h SER 50 N 0.41 -0.50 -0.11 -0.69 0.02 -1.91 -2.50 113.55 108.28 2cru h SER 50 Ca 0.51 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 2cru h SER 50 Cb 0.92 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2cru h SER 50 CO -0.50 -0.22 0.02 0.00 -1.14 0.00 0.00 176.83 174.99 2cru h ALA 51 N 0.74 0.14 -0.95 3.77 0.00 -1.36 -3.07 119.26 118.53 2cru h ALA 51 Ca 0.07 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.08 2cru h ALA 51 Cb 0.34 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 2cru h ALA 51 CO -0.20 -0.20 0.03 0.00 0.00 0.00 0.00 179.25 178.87 2cru h ARG 52 N -0.05 0.03 0.65 0.00 2.47 -0.45 0.15 114.38 117.18 2cru h ARG 52 Ca 0.03 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2cru h ARG 52 Cb 0.29 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2cru h ARG 52 CO 0.00 0.02 -0.34 0.00 0.56 0.00 0.00 179.97 180.21 2cru h ALA 53 N 1.94 -1.22 -0.25 0.04 0.00 -1.36 -2.72 119.26 115.68 2cru h ALA 53 Ca 0.57 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2cru h ALA 53 Cb 1.14 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 2cru h ALA 53 CO -0.88 -1.16 -0.40 -0.09 0.00 0.00 0.00 179.25 176.72 2cru h ARG 54 N -0.91 -0.38 -1.12 0.00 9.65 -1.16 0.50 114.38 120.97 2cru h ARG 54 Ca -0.09 0.03 0.40 0.00 -1.10 0.00 0.00 59.98 59.22 2cru h ARG 54 Cb 0.71 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.22 2cru h ARG 54 CO 0.13 -0.25 0.66 1.25 2.80 0.00 0.00 179.97 184.55 2cru h LEU 55 N -0.39 0.34 -0.29 3.80 5.85 -0.77 0.89 115.31 124.74 2cru h LEU 55 Ca 0.11 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 2cru h LEU 55 Cb 0.59 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2cru h LEU 55 CO -0.47 -0.27 -0.31 -1.28 -0.34 0.00 0.00 178.44 175.77 2cru h SER 56 N 0.11 0.78 -0.92 1.25 0.87 -0.59 -3.06 113.55 111.98 2cru h SER 56 Ca 0.81 -0.48 0.16 0.00 -1.23 0.00 0.00 61.79 61.06 2cru h SER 56 Cb 2.23 -0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 63.87 2cru h SER 56 CO -0.60 1.10 0.52 -1.13 -0.53 0.00 0.00 176.83 176.18 2cru h ASN 57 N 0.47 0.66 -0.27 6.23 -1.24 0.14 0.66 115.58 122.23 2cru h ASN 57 Ca 0.04 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 2cru h ASN 57 Cb 0.89 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 2cru h ASN 57 CO 0.08 0.26 -0.11 0.25 -1.29 0.00 0.00 177.43 176.62 2cru h LEU 58 N 0.71 0.67 -0.40 0.34 5.85 -1.39 -2.19 115.31 118.88 2cru h LEU 58 Ca 0.51 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2cru h LEU 58 Cb 0.74 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2cru h LEU 58 CO -0.37 0.81 0.05 0.00 -0.34 0.00 0.00 178.44 178.59 2cru n ALA 59 N -2.48 0.92 -0.05 1.25 0.00 0.22 -0.89 120.51 119.48 2cru n ALA 59 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 2cru n ALA 59 Cb 0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.69 1.17 -0.32 0.00 4.77 -0.83 -3.90 117.00 116.21 2cru n LEU 60 Ca -0.00 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2cru n LEU 60 Cb 0.06 -0.70 0.27 0.00 -2.33 0.00 0.00 43.42 40.72 2cru n LEU 60 CO 0.03 -0.44 1.24 1.62 -1.33 0.00 0.00 177.39 178.51 2cru h VAL 61 N -0.63 0.94 -0.40 4.08 3.04 -1.48 -3.41 116.25 118.38 2cru h VAL 61 Ca 0.00 -0.32 0.20 0.00 -1.01 0.00 0.00 66.70 65.57 2cru h VAL 61 Cb 0.44 -0.07 -0.20 0.00 -2.01 0.00 0.00 31.29 29.45 2cru h VAL 61 CO 0.00 0.17 -0.00 -1.59 -1.01 0.00 0.00 177.57 175.14 2cru s LYS 62 N -5.87 0.23 0.09 4.17 -2.85 -0.07 -5.05 119.74 110.39 2cru s LYS 62 Ca -0.11 0.31 -0.15 0.00 -1.00 0.00 0.00 55.97 55.02 2cru s LYS 62 Cb 0.21 0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 2cru s LYS 62 CO 0.80 -0.34 1.41 -1.00 0.10 0.00 0.00 175.35 176.33 2cru h PRO 63 N 7.70 0.66 -0.73 1.78 0.13 -1.67 -3.29 132.00 136.58 2cru h PRO 63 Ca -0.11 -0.35 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2cru h PRO 63 Cb 1.18 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2cru h PRO 63 CO -0.05 0.95 -0.30 -1.91 -0.23 0.00 0.00 178.00 176.47 2cru n GLU 64 N -4.30 -0.18 0.03 0.86 2.13 -1.26 0.80 120.64 118.72 2cru n GLU 64 Ca -0.04 1.13 -0.12 0.00 0.66 0.00 0.00 57.16 58.79 2cru n GLU 64 Cb 0.46 -1.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.42 2cru n GLU 64 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2cru h LYS 65 N 0.00 0.01 -0.11 5.31 3.11 -1.94 -3.12 116.57 119.83 2cru h LYS 65 Ca 0.25 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.13 2cru h LYS 65 Cb 0.43 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.60 2cru h LYS 65 CO -0.73 0.08 -0.30 1.15 -2.81 0.00 0.00 179.45 176.85 2cru h THR 66 N -0.07 0.32 -0.65 1.00 2.02 0.33 -2.76 112.91 113.10 2cru h THR 66 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2cru h THR 66 Cb 0.08 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 2cru h THR 66 CO -0.00 0.00 -0.38 0.29 0.37 0.00 0.00 175.52 175.80 2cru n LYS 67 N -5.40 -0.28 -0.09 6.66 5.02 0.69 -1.25 118.16 123.51 2cru n LYS 67 Ca -0.03 1.17 -0.05 0.00 -2.02 0.00 0.00 58.31 57.37 2cru n LYS 67 Cb 0.32 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.13 -0.41 -0.83 7.82 0.00 -1.50 -2.13 119.26 122.35 2cru h ALA 68 Ca 0.10 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 2cru h ALA 68 Cb 0.27 0.96 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 2cru h ALA 68 CO -0.61 -0.53 -0.54 0.28 0.00 0.00 0.00 179.25 177.85 2cru h VAL 69 N -0.11 0.00 -0.98 0.00 2.07 -1.09 0.43 116.25 116.57 2cru h VAL 69 Ca 0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.77 2cru h VAL 69 Cb 0.22 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 29.80 2cru h VAL 69 CO -0.28 0.00 -0.19 -0.62 0.02 0.00 0.00 177.57 176.50 2cru n GLU 70 N -5.09 -0.09 0.03 1.57 1.02 -0.50 0.12 120.64 117.70 2cru n GLU 70 Ca 0.01 1.52 -0.09 0.00 -0.02 0.00 0.00 57.16 58.58 2cru n GLU 70 Cb 0.25 -2.30 0.06 0.00 -0.02 0.00 0.00 31.44 29.43 2cru n GLU 70 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2cru h ASN 71 N 0.00 0.53 -0.86 1.62 2.35 -0.08 -2.89 115.58 116.26 2cru h ASN 71 Ca 0.50 -0.31 0.06 0.00 -0.55 0.00 0.00 56.30 56.00 2cru h ASN 71 Cb 0.82 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 2cru h ASN 71 CO -1.00 1.02 0.56 0.22 -1.65 0.00 0.00 177.43 176.58 2cru h TYR 72 N 0.35 0.99 -0.06 1.19 3.20 0.51 -2.18 116.97 120.97 2cru h TYR 72 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2cru h TYR 72 Cb 1.15 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2cru h TYR 72 CO 0.04 0.54 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.87 2cru h LEU 73 N 0.99 0.25 -0.60 2.82 3.38 -0.93 -2.99 115.31 118.23 2cru h LEU 73 Ca 0.36 -0.60 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2cru h LEU 73 Cb 0.16 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2cru h LEU 73 CO -0.12 0.80 -0.01 0.40 0.09 0.00 0.00 178.44 179.60 2cru h ILE 74 N -0.29 0.50 -0.84 1.22 2.04 -1.25 0.46 117.51 119.35 2cru h ILE 74 Ca -0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2cru h ILE 74 Cb 0.77 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2cru h ILE 74 CO 0.04 0.02 0.52 1.56 0.00 0.00 0.00 178.15 180.28 2cru h GLN 75 N 0.11 1.13 -0.04 2.37 1.08 -1.46 -1.92 115.11 116.38 2cru h GLN 75 Ca 0.31 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 57.27 2cru h GLN 75 Cb 0.50 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2cru h GLN 75 CO -0.52 0.78 -0.64 0.52 -0.95 0.00 0.00 178.83 178.02 2cru h MET 76 N 1.15 0.16 0.75 1.46 2.86 -0.74 -3.28 114.93 117.30 2cru h MET 76 Ca 0.30 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2cru h MET 76 Cb -0.07 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2cru h MET 76 CO -0.06 0.75 -0.36 0.00 1.06 0.00 0.00 176.91 178.30 2cru h ALA 77 N 1.22 -1.00 -0.77 6.32 0.00 0.53 -1.85 119.26 123.71 2cru h ALA 77 Ca -0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2cru h ALA 77 Cb 1.16 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 2cru h ALA 77 CO 0.09 -0.95 -0.45 0.54 0.00 0.00 0.00 179.25 178.48 2cru n ARG 78 N -5.45 -0.34 -0.08 0.00 1.74 -0.81 -0.57 116.66 111.16 2cru n ARG 78 Ca -0.13 1.37 -0.07 0.00 -0.77 0.00 0.00 57.85 58.26 2cru n ARG 78 Cb 0.40 -2.02 -0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2cru n ARG 78 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2cru h TYR 79 N 0.00 -0.28 0.00 -1.55 -1.99 -1.63 -3.47 116.97 108.06 2cru h TYR 79 Ca 0.12 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.88 2cru h TYR 79 Cb 0.32 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.22 2cru h TYR 79 CO -0.99 -0.19 0.00 0.41 -0.00 0.00 0.00 178.16 177.40 2cru n GLY 80 N -1.30 1.26 0.12 3.88 0.00 0.27 -5.05 105.19 104.36 2cru n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.19 -5.60 1.61 4.20 -1.59 -3.45 115.11 110.47 2cru h GLN 81 Ca 0.00 -0.32 -0.58 0.00 0.06 0.00 0.00 58.65 57.82 2cru h GLN 81 Cb 0.00 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2cru h GLN 81 CO 0.00 1.15 1.57 1.28 -0.67 0.00 0.00 178.83 182.16 2cru n LEU 82 N -4.04 1.51 -0.06 1.46 4.77 -1.25 -4.83 117.00 114.56 2cru n LEU 82 Ca -0.25 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2cru n LEU 82 Cb 0.84 -1.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 2cru n LEU 82 CO 0.37 -0.94 0.50 0.77 -1.33 0.00 0.00 177.39 176.75 2cru h SER 83 N 13.81 -0.87 -5.34 -1.43 4.64 -1.98 -3.46 113.55 118.93 2cru h SER 83 Ca -0.18 0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 2cru h SER 83 Cb 1.31 0.35 -0.09 0.00 -0.31 0.00 0.00 62.40 63.67 2cru h SER 83 CO 1.17 -0.19 -0.15 -1.83 -0.87 0.00 0.00 176.83 174.96 2cru s GLU 84 N -4.23 1.67 -0.41 4.77 1.03 -1.26 -5.10 118.70 115.17 2cru s GLU 84 Ca -0.07 -1.44 -0.45 0.00 0.03 0.00 0.00 54.97 53.05 2cru s GLU 84 Cb 0.04 0.46 -0.19 0.00 -0.80 0.00 0.00 34.13 33.63 2cru s GLU 84 CO 0.28 -0.69 1.47 1.63 -1.33 0.00 0.00 175.26 176.62 2cru n LYS 85 N -0.44 0.00 -2.62 -4.83 5.02 -1.26 -4.84 118.16 109.20 2cru n LYS 85 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 2cru n LYS 85 Cb 0.62 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 2cru n LYS 85 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cru s VAL 86 N 2.43 4.62 0.60 -0.18 1.01 -0.38 -4.77 120.40 123.73 2cru s VAL 86 Ca 1.00 1.92 -0.03 0.00 0.00 0.00 0.00 61.98 64.87 2cru s VAL 86 Cb -1.42 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 30.76 2cru s VAL 86 CO 0.76 -0.09 0.87 -0.94 0.00 0.00 0.00 175.10 175.70 2cru s SER 87 N 1.29 5.19 0.11 3.32 1.04 -1.26 -2.56 113.70 120.84 2cru s SER 87 Ca 0.48 0.28 -0.22 0.00 0.48 0.00 0.00 55.95 56.98 2cru s SER 87 Cb -0.18 -1.13 -0.05 0.00 0.10 0.00 0.00 66.02 64.76 2cru s SER 87 CO 0.13 -1.26 1.20 1.21 0.98 0.00 0.00 173.24 175.50 2cru n GLU 88 N -2.57 -0.31 -0.13 4.02 2.13 -1.26 0.31 120.64 122.83 2cru n GLU 88 Ca 0.07 1.18 -0.04 0.00 0.66 0.00 0.00 57.16 59.03 2cru n GLU 88 Cb 0.60 -1.74 0.03 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 0.03 -0.29 5.31 4.20 -1.96 -0.00 115.11 122.41 2cru h GLN 89 Ca 0.11 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.85 2cru h GLN 89 Cb 0.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2cru h GLN 89 CO -0.66 0.02 0.19 0.78 -0.67 0.00 0.00 178.83 178.50 2cru h GLY 90 N 0.04 0.29 0.35 3.46 0.00 -0.49 -3.04 103.07 103.67 2cru h GLY 90 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2cru h GLY 90 CO -0.40 0.09 -0.17 -2.00 0.00 0.00 0.00 176.54 174.06 2cru h LEU 91 N 0.26 -0.39 -1.09 3.11 5.85 0.15 -3.12 115.31 120.07 2cru h LEU 91 Ca 0.12 0.01 0.40 0.00 0.84 0.00 0.00 57.88 59.25 2cru h LEU 91 Cb 0.16 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.16 2cru h LEU 91 CO -0.02 -0.18 0.67 -0.38 -0.34 0.00 0.00 178.44 178.19 2cru n ILE 92 N -3.82 -0.27 -0.19 4.05 5.41 -0.80 0.22 119.36 123.95 2cru n ILE 92 Ca -0.06 1.66 -0.08 0.00 1.00 0.00 0.00 62.75 65.27 2cru n ILE 92 Cb 0.18 -2.71 0.02 0.00 -0.71 0.00 0.00 39.64 36.43 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 -0.35 0.38 5.08 -1.50 -2.93 114.58 116.05 2cru h GLU 93 Ca 0.76 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 59.06 2cru h GLU 93 Cb 2.31 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 31.37 2cru h GLU 93 CO -0.51 0.65 0.03 0.82 -1.00 0.00 0.00 179.01 179.00 2cru h ILE 94 N 0.73 0.77 -0.78 3.13 2.04 0.26 -0.93 117.51 122.74 2cru h ILE 94 Ca 0.18 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 66.15 2cru h ILE 94 Cb 0.13 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2cru h ILE 94 CO -0.02 0.02 0.52 -0.07 0.00 0.00 0.00 178.15 178.60 2cru h LEU 95 N 0.13 0.41 -1.41 1.44 3.38 -1.34 0.53 115.31 118.46 2cru h LEU 95 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2cru h LEU 95 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2cru h LEU 95 CO -0.26 0.21 0.00 0.11 0.09 0.00 0.00 178.44 178.59 2cru h LYS 96 N 0.44 0.00 0.03 1.13 6.56 -1.04 -0.22 116.57 123.46 2cru h LYS 96 Ca 0.39 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.61 2cru h LYS 96 Cb 0.87 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.48 2cru h LYS 96 CO -0.13 0.00 -2.10 1.63 -2.06 0.00 0.00 179.45 176.79 2cru n LYS 97 N -2.88 0.63 0.15 3.15 5.02 0.16 -4.23 118.16 120.17 2cru n LYS 97 Ca 0.01 0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 2cru n LYS 97 Cb 0.27 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 2cru n LYS 97 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cru h VAL 98 N -0.53 0.64 -0.74 -0.18 2.07 -0.85 -2.70 116.25 113.95 2cru h VAL 98 Ca -0.53 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2cru h VAL 98 Cb 1.70 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 2cru h VAL 98 CO -0.18 0.12 -0.44 -0.24 0.02 0.00 0.00 177.57 176.85 2cru n SER 99 N -5.11 -0.79 -0.35 0.57 2.88 -0.10 0.57 113.62 111.29 2cru n SER 99 Ca -0.09 1.56 0.08 0.00 -1.33 0.00 0.00 58.87 59.08 2cru n SER 99 Cb 0.27 -0.29 0.26 0.00 -0.75 0.00 0.00 64.21 63.70 2cru n SER 99 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2cru h GLN 100 N 0.00 0.94 -6.20 -1.46 1.08 -1.73 -3.36 115.11 104.37 2cru h GLN 100 Ca 0.12 -0.06 -0.71 0.00 -1.45 0.00 0.00 58.65 56.55 2cru h GLN 100 Cb 0.31 -0.21 0.04 0.00 -0.05 0.00 0.00 27.48 27.56 2cru h GLN 100 CO -0.70 0.62 0.65 0.94 -0.95 0.00 0.00 178.83 179.39 2cru n GLN 101 N -4.61 1.11 -4.38 1.46 -0.06 0.19 -0.62 117.38 110.48 2cru n GLN 101 Ca 0.19 0.40 -0.38 0.00 -2.00 0.00 0.00 57.00 55.22 2cru n GLN 101 Cb 0.37 -2.06 -0.07 0.00 -4.06 0.00 0.00 30.24 24.42 2cru n GLN 101 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2cru n THR 102 N 3.44 -0.70 -1.53 1.69 5.66 -1.26 -4.76 114.28 116.81 2cru n THR 102 Ca 0.22 -0.14 -0.49 0.00 -3.05 0.00 0.00 64.05 60.59 2cru n THR 102 Cb 0.16 -1.07 -0.04 0.00 -1.55 0.00 0.00 70.33 67.83 2cru n THR 102 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2cru n GLU 103 N -4.28 0.77 -0.03 1.09 0.00 0.21 -4.93 120.64 113.47 2cru n GLU 103 Ca -0.02 0.27 -0.03 0.00 0.00 0.00 0.00 57.16 57.38 2cru n GLU 103 Cb 0.53 -1.62 -0.01 0.00 0.00 0.00 0.00 31.44 30.34 2cru n GLU 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2cru n LYS 104 N 1.34 0.19 -3.62 5.31 4.81 -1.26 -5.07 118.16 119.86 2cru n LYS 104 Ca 0.15 0.08 -0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2cru n LYS 104 Cb 0.24 -0.80 -0.05 0.00 0.02 0.00 0.00 35.03 34.43 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 -1.73 -0.46 0.08 3.15 -1.32 -1.26 -5.06 115.64 109.04 2cru s THR 105 Ca -0.10 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.15 2cru s THR 105 Cb 0.01 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.87 2cru s THR 105 CO 0.16 0.00 1.66 0.00 -2.21 0.00 0.00 174.62 174.22 2cru h THR 106 N 5.46 1.09 -4.36 5.08 1.03 -2.02 -3.46 112.91 115.74 2cru h THR 106 Ca -0.23 -0.26 -0.30 0.00 -0.01 0.00 0.00 66.41 65.61 2cru h THR 106 Cb 1.16 1.16 -0.03 0.00 -1.07 0.00 0.00 68.15 69.38 2cru h THR 106 CO 0.13 0.08 -0.41 0.41 -0.01 0.00 0.00 175.52 175.71 2cru n THR 107 N -5.00 -0.84 -3.60 0.00 -1.04 -1.26 -4.90 114.28 97.65 2cru n THR 107 Ca -0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 2cru n THR 107 Cb 0.08 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 66.59 2cru n THR 107 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2cru s VAL 108 N -2.76 0.00 0.32 12.58 0.11 -1.26 -5.16 120.40 124.22 2cru s VAL 108 Ca 0.14 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 2cru s VAL 108 Cb -0.07 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.68 2cru s VAL 108 CO 0.18 0.00 0.88 -0.75 -3.33 0.00 0.00 175.10 172.08 2cru s LYS 109 N -0.98 4.42 0.26 1.54 2.47 -1.26 -5.07 119.74 121.11 2cru s LYS 109 Ca 0.02 1.16 0.06 0.00 -1.56 0.00 0.00 55.97 55.65 2cru s LYS 109 Cb -0.01 -2.70 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 2cru s LYS 109 CO -0.02 0.25 0.27 -0.59 0.16 0.00 0.00 175.35 175.42 2cru s PHE 110 N -1.70 3.22 0.16 4.03 -0.12 -1.26 -5.13 117.98 117.18 2cru s PHE 110 Ca 0.51 -0.10 -0.24 0.00 -0.05 0.00 0.00 56.93 57.05 2cru s PHE 110 Cb -0.16 -1.51 0.06 0.00 -0.63 0.00 0.00 43.02 40.77 2cru s PHE 110 CO 0.21 0.45 0.81 0.54 -0.05 0.00 0.00 175.22 177.18 2cru s ASN 111 N -3.92 -0.31 -0.20 1.98 2.20 -1.26 -5.15 114.94 108.28 2cru s ASN 111 Ca 0.34 -0.31 -0.07 0.00 -0.94 0.00 0.00 52.86 51.88 2cru s ASN 111 Cb -0.08 0.56 -0.04 0.00 -2.00 0.00 0.00 41.25 39.69 2cru s ASN 111 CO 0.27 -0.99 0.07 -0.60 -2.94 0.00 0.00 177.10 172.90 2cru s ARG 112 N -3.52 3.88 0.76 3.55 3.00 -1.26 -5.08 118.95 120.29 2cru s ARG 112 Ca 0.08 -0.38 -0.16 0.00 -1.00 0.00 0.00 55.73 54.27 2cru s ARG 112 Cb -0.03 -3.25 -0.08 0.00 0.00 0.00 0.00 34.95 31.60 2cru s ARG 112 CO -0.01 0.14 0.10 0.43 0.00 0.00 0.00 175.30 175.95 2cru n SER 113 N 3.95 -2.84 -4.94 -2.12 7.64 -1.26 -4.97 113.62 109.08 2cru n SER 113 Ca -0.16 0.49 -0.24 0.00 1.01 0.00 0.00 58.87 59.96 2cru n SER 113 Cb 0.52 -1.04 0.04 0.00 -1.01 0.00 0.00 64.21 62.72 2cru n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cru s GLY 114 N -1.33 1.69 1.21 0.23 0.00 -1.26 -5.09 107.32 102.77 2cru s GLY 114 Ca 0.57 -1.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.09 2cru s GLY 114 CO 0.66 -0.70 1.11 2.56 0.00 0.00 0.00 173.10 176.73 2cru s PRO 115 N -4.95 -1.29 0.54 2.90 0.04 -1.26 -5.08 135.00 125.90 2cru s PRO 115 Ca 0.56 -0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.58 2cru s PRO 115 Cb -0.10 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.89 2cru s PRO 115 CO 0.42 -3.75 0.56 0.45 0.04 0.00 0.00 177.00 174.72 2cru s SER 116 N -3.92 4.91 0.16 6.66 0.15 -1.26 -5.02 113.70 115.37 2cru s SER 116 Ca 0.71 -1.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 2cru s SER 116 Cb -0.09 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.38 2cru s SER 116 CO 0.56 -1.14 1.55 -1.28 1.20 0.00 0.00 173.24 174.13 2cru h SER 117 N 0.55 -1.93 -0.01 5.45 0.87 -2.09 -3.58 113.55 112.81 2cru h SER 117 Ca -0.35 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2cru h SER 117 Cb 1.29 0.84 0.00 0.00 -0.44 0.00 0.00 62.40 64.09 2cru h SER 117 CO 0.50 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.10