#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 s ARG 2 N 0.00 0.80 0.15 0.00 0.52 -1.26 -5.05 118.95 114.11 2ju5 s ARG 2 Ca 0.00 -0.96 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 2ju5 s ARG 2 Cb 0.00 -0.76 0.03 0.00 0.52 0.00 0.00 34.95 34.74 2ju5 s ARG 2 CO 0.00 0.16 1.64 -0.09 0.02 0.00 0.00 175.30 177.03 2ju5 h ARG 3 N 4.24 0.84 -5.51 3.54 2.43 -2.05 -3.43 114.38 114.45 2ju5 h ARG 3 Ca -0.40 -0.22 -0.54 0.00 -0.81 0.00 0.00 59.98 58.01 2ju5 h ARG 3 Cb 1.19 -0.10 -0.30 0.00 -0.42 0.00 0.00 29.97 30.35 2ju5 h ARG 3 CO 0.41 0.83 -0.83 1.03 -1.51 0.00 0.00 179.97 179.90 2ju5 s ARG 4 N -5.20 1.44 0.23 0.20 0.52 -1.26 -5.03 118.95 109.84 2ju5 s ARG 4 Ca -0.13 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2ju5 s ARG 4 Cb 0.12 -1.36 0.23 0.00 0.52 0.00 0.00 34.95 34.46 2ju5 s ARG 4 CO 0.81 0.33 1.69 0.00 0.02 0.00 0.00 175.30 178.15 2ju5 h ALA 5 N 5.85 0.98 -0.34 2.13 0.00 -2.04 -2.42 119.26 123.41 2ju5 h ALA 5 Ca -0.36 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2ju5 h ALA 5 Cb 1.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ju5 h ALA 5 CO 0.48 0.61 0.23 0.66 0.00 0.00 0.00 179.25 181.23 2ju5 h SER 6 N 0.78 0.31 0.00 0.00 4.64 -1.99 -3.46 113.55 113.82 2ju5 h SER 6 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2ju5 h SER 6 Cb 0.56 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2ju5 h SER 6 CO 0.03 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2ju5 n GLY 7 N -1.51 3.22 3.44 -0.77 0.00 -0.92 -4.64 105.19 104.02 2ju5 n GLY 7 Ca 0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2ju5 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju5 s GLU 8 N 0.00 2.10 0.26 1.61 0.41 -1.26 -4.99 118.70 116.83 2ju5 s GLU 8 Ca 0.00 -0.95 -0.15 0.00 -0.41 0.00 0.00 54.97 53.45 2ju5 s GLU 8 Cb 0.00 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 2ju5 s GLU 8 CO 0.00 0.55 0.55 0.54 -0.49 0.00 0.00 175.26 176.41 2ju5 s ASN 9 N -1.28 -0.14 -0.16 -0.19 2.20 -1.26 -5.15 114.94 108.97 2ju5 s ASN 9 Ca 0.14 -0.84 -0.17 0.00 -0.94 0.00 0.00 52.86 51.05 2ju5 s ASN 9 Cb -0.10 0.63 -0.04 0.00 -2.00 0.00 0.00 41.25 39.74 2ju5 s ASN 9 CO 0.04 -1.20 0.46 -0.76 -2.94 0.00 0.00 177.10 172.69 2ju5 s LEU 10 N -2.99 4.22 0.15 3.54 1.43 -1.26 -5.05 118.68 118.72 2ju5 s LEU 10 Ca 0.19 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 2ju5 s LEU 10 Cb -0.02 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 2ju5 s LEU 10 CO 0.08 -0.05 0.98 -1.10 0.23 0.00 0.00 176.35 176.49 2ju5 s GLN 11 N 1.01 4.72 0.17 1.70 -0.21 -1.26 -5.00 119.66 120.78 2ju5 s GLN 11 Ca 0.23 1.51 -0.30 0.00 0.02 0.00 0.00 55.36 56.82 2ju5 s GLN 11 Cb -0.15 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.44 2ju5 s GLN 11 CO 0.09 0.26 1.29 -0.65 -2.12 0.00 0.00 175.29 174.16 2ju5 s GLN 12 N -0.34 4.40 0.72 2.91 -0.21 -1.26 -5.02 119.66 120.86 2ju5 s GLN 12 Ca 0.46 2.00 -0.11 0.00 0.02 0.00 0.00 55.36 57.73 2ju5 s GLN 12 Cb -0.25 -3.23 0.03 0.00 1.00 0.00 0.00 33.01 30.56 2ju5 s GLN 12 CO 0.31 -0.26 1.10 0.95 -2.12 0.00 0.00 175.29 175.27 2ju5 s THR 13 N 0.36 3.18 -0.47 -0.19 -4.23 -1.26 -5.06 115.64 107.97 2ju5 s THR 13 Ca 0.58 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 61.48 2ju5 s THR 13 Cb -0.35 -3.37 0.19 0.00 1.34 0.00 0.00 72.50 70.31 2ju5 s THR 13 CO 0.36 -0.48 0.60 -2.11 -0.54 0.00 0.00 174.62 172.44 2ju5 n ARG 14 N -3.04 0.46 -1.71 3.99 0.00 -1.26 -5.14 116.66 109.96 2ju5 n ARG 14 Ca 0.07 -2.48 -0.40 0.00 -0.00 0.00 0.00 57.85 55.04 2ju5 n ARG 14 Cb 0.58 -1.52 0.02 0.00 -0.00 0.00 0.00 32.46 31.55 2ju5 n ARG 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2ju5 n PRO 15 N 2.63 1.80 0.00 2.89 -0.02 -1.26 -4.91 135.00 136.13 2ju5 n PRO 15 Ca 0.21 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 2ju5 n PRO 15 Cb 0.54 -2.44 0.30 0.00 -0.02 0.00 0.00 33.50 31.88 2ju5 n PRO 15 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2ju5 n ILE 16 N -0.58 0.00 -0.18 4.25 -5.35 -1.26 -4.11 119.36 112.13 2ju5 n ILE 16 Ca 0.08 -0.17 -0.05 0.00 -0.27 0.00 0.00 62.75 62.34 2ju5 n ILE 16 Cb 0.42 0.62 0.13 0.00 -1.74 0.00 0.00 39.64 39.07 2ju5 n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ju5 h ALA 17 N 3.79 1.10 -2.85 -1.28 0.00 -2.07 -3.44 119.26 114.51 2ju5 h ALA 17 Ca 0.00 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 2ju5 h ALA 17 Cb 0.57 -0.24 0.09 0.00 0.00 0.00 0.00 17.79 18.21 2ju5 h ALA 17 CO 0.00 0.60 0.57 0.00 0.00 0.00 0.00 179.25 180.42 2ju5 s ALA 18 N -5.23 3.10 0.63 0.00 0.00 -1.26 -4.97 121.76 114.03 2ju5 s ALA 18 Ca -0.11 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 2ju5 s ALA 18 Cb 0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2ju5 s ALA 18 CO 0.82 -0.87 1.27 0.00 0.00 0.00 0.00 175.76 176.98 2ju5 s ALA 19 N -1.35 2.45 0.10 0.00 0.00 -1.26 -5.04 121.76 116.66 2ju5 s ALA 19 Ca 0.61 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 2ju5 s ALA 19 Cb -0.36 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 2ju5 s ALA 19 CO 0.45 -1.43 0.03 -0.80 0.00 0.00 0.00 175.76 174.00 2ju5 s ASN 20 N -1.45 0.36 0.31 0.00 0.02 -1.26 -5.08 114.94 107.84 2ju5 s ASN 20 Ca 0.81 -1.12 -0.28 0.00 -1.02 0.00 0.00 52.86 51.24 2ju5 s ASN 20 Cb -0.35 0.27 -0.09 0.00 0.02 0.00 0.00 41.25 41.09 2ju5 s ASN 20 CO 0.37 -0.69 1.08 -0.22 0.02 0.00 0.00 177.10 177.67 2ju5 s LEU 21 N -3.00 4.44 -0.39 0.60 2.96 -1.26 -5.02 118.68 117.01 2ju5 s LEU 21 Ca 0.18 2.20 -0.10 0.00 -0.22 0.00 0.00 54.13 56.18 2ju5 s LEU 21 Cb 0.08 -3.78 0.05 0.00 0.50 0.00 0.00 46.19 43.03 2ju5 s LEU 21 CO -0.03 -0.23 0.23 -1.10 -1.32 0.00 0.00 176.35 173.90 2ju5 s GLN 22 N -1.72 2.74 0.23 1.98 -0.21 -1.26 -5.07 119.66 116.34 2ju5 s GLN 22 Ca 0.48 -1.23 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 2ju5 s GLN 22 Cb -0.29 -3.75 -0.09 0.00 1.00 0.00 0.00 33.01 29.88 2ju5 s GLN 22 CO 0.37 -0.80 0.91 -1.58 -2.12 0.00 0.00 175.29 172.06 2ju5 s TRP 23 N 1.50 3.97 0.33 0.91 0.51 -1.26 -4.36 118.94 120.54 2ju5 s TRP 23 Ca 0.02 1.86 0.07 0.00 -2.12 0.00 0.00 56.10 55.93 2ju5 s TRP 23 Cb -0.21 -2.93 -0.07 0.00 -0.81 0.00 0.00 33.47 29.45 2ju5 s TRP 23 CO 0.05 0.47 -0.04 -1.21 -0.51 0.00 0.00 176.95 175.71 2ju5 s GLU 24 N -1.20 1.74 0.53 4.98 2.02 0.12 -5.00 118.70 121.89 2ju5 s GLU 24 Ca 0.40 -1.92 -0.07 0.00 0.02 0.00 0.00 54.97 53.40 2ju5 s GLU 24 Cb -0.25 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 2ju5 s GLU 24 CO 0.31 0.01 0.88 -1.12 0.02 0.00 0.00 175.26 175.35 2ju5 s SER 25 N -3.56 6.21 0.19 -0.19 0.01 -1.26 -4.07 113.70 111.03 2ju5 s SER 25 Ca 0.33 1.08 -0.12 0.00 1.31 0.00 0.00 55.95 58.55 2ju5 s SER 25 Cb 0.06 -2.29 0.12 0.00 0.21 0.00 0.00 66.02 64.11 2ju5 s SER 25 CO 0.15 -0.71 1.86 0.22 0.41 0.00 0.00 173.24 175.17 2ju5 h TYR 26 N 0.02 0.80 -0.47 2.43 3.20 -1.95 0.32 116.97 121.32 2ju5 h TYR 26 Ca -0.46 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.30 2ju5 h TYR 26 Cb 1.20 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2ju5 h TYR 26 CO 0.60 0.50 -0.23 0.00 -1.64 0.00 0.00 178.16 177.39 2ju5 h ALA 27 N 1.24 0.66 -0.54 1.82 0.00 -2.01 -2.89 119.26 117.55 2ju5 h ALA 27 Ca 0.24 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2ju5 h ALA 27 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2ju5 h ALA 27 CO -0.06 0.66 -0.11 0.93 0.00 0.00 0.00 179.25 180.68 2ju5 h GLU 28 N 0.83 1.02 -0.51 0.00 5.08 -1.81 -2.98 114.58 116.22 2ju5 h GLU 28 Ca 0.10 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2ju5 h GLU 28 Cb 0.82 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2ju5 h GLU 28 CO 0.07 1.06 0.30 0.00 -1.00 0.00 0.00 179.01 179.45 2ju5 h ALA 29 N 0.96 0.65 -0.67 3.43 0.00 -0.31 -2.50 119.26 120.81 2ju5 h ALA 29 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ju5 h ALA 29 Cb 0.67 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2ju5 h ALA 29 CO 0.05 0.01 0.26 -0.07 0.00 0.00 0.00 179.25 179.50 2ju5 h LEU 30 N 0.61 0.92 -0.64 0.00 3.38 -1.44 0.55 115.31 118.70 2ju5 h LEU 30 Ca 0.20 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2ju5 h LEU 30 CO -0.09 0.85 0.04 -0.33 0.09 0.00 0.00 178.44 178.99 2ju5 h GLU 31 N 0.95 1.10 -0.21 1.13 5.08 -1.36 0.12 114.58 121.39 2ju5 h GLU 31 Ca 0.22 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2ju5 h GLU 31 Cb 0.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2ju5 h GLU 31 CO -0.02 1.05 -0.07 0.45 -1.00 0.00 0.00 179.01 179.42 2ju5 h HIS 32 N 1.01 0.47 -0.42 4.33 3.86 -1.23 -2.93 115.15 120.23 2ju5 h HIS 32 Ca 0.19 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2ju5 h HIS 32 Cb 0.53 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2ju5 h HIS 32 CO 0.04 0.68 0.07 0.77 0.86 0.00 0.00 177.93 180.35 2ju5 h SER 33 N 0.12 0.59 0.09 2.45 0.02 -0.76 1.62 113.55 117.69 2ju5 h SER 33 Ca 0.05 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2ju5 h SER 33 Cb 0.54 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2ju5 h SER 33 CO 0.02 0.61 -0.07 0.11 -1.14 0.00 0.00 176.83 176.36 2ju5 h LYS 34 N 0.62 0.00 0.03 3.45 1.57 -0.90 2.48 116.57 123.82 2ju5 h LYS 34 Ca 0.14 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.53 2ju5 h LYS 34 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2ju5 h LYS 34 CO 0.00 0.07 -2.27 1.04 -0.57 0.00 0.00 179.45 177.73 2ju5 n GLN 35 N -4.29 0.67 0.04 3.15 1.13 -0.13 -4.53 117.38 113.41 2ju5 n GLN 35 Ca -0.03 0.23 0.11 0.00 -1.94 0.00 0.00 57.00 55.37 2ju5 n GLN 35 Cb 0.15 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 2ju5 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2ju5 n ASP 36 N -3.55 0.57 -0.33 1.08 8.00 0.54 -4.97 116.55 117.88 2ju5 n ASP 36 Ca -0.42 -0.04 -0.04 0.00 0.71 0.00 0.00 54.79 55.00 2ju5 n ASP 36 Cb 0.97 0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 42.97 2ju5 n ASP 36 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ju5 n HIS 37 N -2.20 0.00 -2.87 1.24 8.25 0.83 -4.97 115.22 115.50 2ju5 n HIS 37 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2ju5 n HIS 37 Cb 0.49 -1.37 -0.07 0.00 1.12 0.00 0.00 29.99 30.16 2ju5 n HIS 37 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ju5 s LYS 38 N -1.76 4.30 0.55 -0.41 1.02 -1.25 -4.87 119.74 117.33 2ju5 s LYS 38 Ca 0.00 1.10 -0.18 0.00 0.02 0.00 0.00 55.97 56.91 2ju5 s LYS 38 Cb 0.00 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 2ju5 s LYS 38 CO 0.00 0.12 1.07 -1.25 -0.92 0.00 0.00 175.35 174.36 2ju5 s PRO 39 N -2.74 3.44 -0.14 -1.68 0.04 -1.26 -4.54 135.00 128.11 2ju5 s PRO 39 Ca 0.56 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 2ju5 s PRO 39 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2ju5 s PRO 39 CO 0.17 -0.73 -0.06 0.42 0.04 0.00 0.00 177.00 176.85 2ju5 s ILE 40 N -2.17 3.73 -0.30 0.56 1.01 0.20 -2.01 121.20 122.22 2ju5 s ILE 40 Ca 0.67 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 2ju5 s ILE 40 Cb -0.18 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2ju5 s ILE 40 CO 0.30 0.51 0.10 -0.83 0.00 0.00 0.00 174.94 175.02 2ju5 s GLY 41 N 0.26 1.81 -0.32 6.18 0.00 -0.16 -1.21 107.32 113.88 2ju5 s GLY 41 Ca -0.04 -1.42 -0.16 0.00 0.00 0.00 0.00 44.72 43.09 2ju5 s GLY 41 CO 0.03 0.66 0.44 1.08 0.00 0.00 0.00 173.10 175.31 2ju5 s LEU 42 N 1.53 4.26 -0.50 0.66 1.02 -0.99 -0.99 118.68 123.68 2ju5 s LEU 42 Ca 0.03 0.06 -0.20 0.00 0.02 0.00 0.00 54.13 54.04 2ju5 s LEU 42 Cb -0.17 -2.49 0.05 0.00 0.02 0.00 0.00 46.19 43.60 2ju5 s LEU 42 CO 0.03 -0.35 0.68 0.12 0.02 0.00 0.00 176.35 176.86 2ju5 s PHE 43 N 2.21 3.01 -0.24 0.29 5.36 -0.31 -3.15 117.98 125.14 2ju5 s PHE 43 Ca 0.16 -0.33 -0.14 0.00 -0.96 0.00 0.00 56.93 55.66 2ju5 s PHE 43 Cb -0.16 -3.57 -0.04 0.00 -0.34 0.00 0.00 43.02 38.91 2ju5 s PHE 43 CO 0.12 -1.04 0.33 -0.06 -1.46 0.00 0.00 175.22 173.10 2ju5 s PHE 44 N 2.88 3.31 0.21 10.12 0.08 -0.96 -0.77 117.98 132.85 2ju5 s PHE 44 Ca 0.19 0.44 -0.05 0.00 0.12 0.00 0.00 56.93 57.63 2ju5 s PHE 44 Cb -0.17 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.82 2ju5 s PHE 44 CO 0.15 -0.07 0.38 0.25 -0.10 0.00 0.00 175.22 175.82 2ju5 n THR 45 N 4.62 0.00 -3.67 0.64 -2.24 -0.87 -2.93 114.28 109.83 2ju5 n THR 45 Ca -0.10 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 2ju5 n THR 45 Cb 0.51 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 2ju5 n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 46 N -2.20 1.62 0.40 3.38 0.00 -1.26 -0.15 107.32 109.11 2ju5 s GLY 46 Ca 0.12 -2.57 0.13 0.00 0.00 0.00 0.00 44.72 42.39 2ju5 s GLY 46 CO 0.09 1.63 1.92 1.76 0.00 0.00 0.00 173.10 178.50 2ju5 h SER 47 N 6.58 0.48 -0.01 1.64 0.02 -1.88 -0.18 113.55 120.21 2ju5 h SER 47 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.92 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.46 0.26 -0.39 0.47 -1.14 0.00 0.00 176.83 176.50 2ju5 n ASP 48 N -4.50 1.85 0.00 3.07 8.00 -1.26 -4.73 116.55 118.98 2ju5 n ASP 48 Ca 0.14 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.22 2ju5 n ASP 48 Cb 0.46 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N -0.03 0.00 -3.29 1.24 4.27 -1.09 -4.86 117.44 113.68 2ju5 n TRP 49 Ca 0.08 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 2ju5 n TRP 49 Cb 0.40 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.27 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 h MET 51 N 8.59 0.59 -0.03 0.00 4.05 -1.96 -2.70 114.93 123.46 2ju5 h MET 51 Ca -0.28 -0.59 -0.01 0.00 -0.28 0.00 0.00 59.70 58.54 2ju5 h MET 51 Cb 1.12 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 2ju5 h MET 51 CO 0.77 1.21 -0.05 -1.49 0.23 0.00 0.00 176.91 177.59 2ju5 h TRP 52 N 0.21 0.04 -0.34 1.39 6.55 -1.93 -0.03 115.95 121.84 2ju5 h TRP 52 Ca -0.09 -0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.59 2ju5 h TRP 52 Cb 1.46 -0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 29.74 2ju5 h TRP 52 CO 0.12 0.09 -0.40 0.00 -1.05 0.00 0.00 178.44 177.20 2ju5 h ILE 54 N 0.66 1.19 -0.39 0.00 2.04 -0.80 0.93 117.51 121.15 2ju5 h ILE 54 Ca 0.05 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2ju5 h ILE 54 Cb 0.99 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2ju5 h ILE 54 CO 0.10 0.21 0.22 0.11 0.00 0.00 0.00 178.15 178.79 2ju5 h LYS 55 N 0.74 0.53 -0.50 2.37 1.79 -0.85 2.11 116.57 122.76 2ju5 h LYS 55 Ca 0.19 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 2ju5 h LYS 55 Cb 0.08 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2ju5 h LYS 55 CO -0.03 0.42 0.25 1.98 -1.08 0.00 0.00 179.45 180.99 2ju5 h MET 56 N 0.50 0.72 -0.05 3.15 4.05 -0.85 0.66 114.93 123.12 2ju5 h MET 56 Ca 0.14 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2ju5 h MET 56 Cb 0.03 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2ju5 h MET 56 CO -0.02 0.59 -0.00 0.37 0.23 0.00 0.00 176.91 178.07 2ju5 h GLN 57 N 0.67 0.08 -0.29 0.39 4.15 -0.33 0.24 115.11 120.03 2ju5 h GLN 57 Ca 0.17 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.42 2ju5 h GLN 57 Cb 0.10 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2ju5 h GLN 57 CO -0.02 0.38 -0.40 -0.44 -1.93 0.00 0.00 178.83 176.42 2ju5 h ASP 58 N -0.23 0.73 0.63 -0.69 3.32 0.36 -1.52 116.42 119.03 2ju5 h ASP 58 Ca 0.01 -0.33 -0.22 0.00 0.02 0.00 0.00 57.03 56.52 2ju5 h ASP 58 Cb 0.35 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2ju5 h ASP 58 CO 0.00 1.04 -1.52 1.56 -1.72 0.00 0.00 179.24 178.61 2ju5 h GLN 59 N 0.56 0.00 0.00 3.56 4.20 0.33 -3.40 115.11 120.37 2ju5 h GLN 59 Ca 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2ju5 h GLN 59 Cb 0.93 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2ju5 h GLN 59 CO 0.08 0.38 -0.92 -0.89 -0.67 0.00 0.00 178.83 176.81 2ju5 n ILE 60 N -2.96 0.81 -0.37 2.54 5.41 0.81 -3.55 119.36 122.06 2ju5 n ILE 60 Ca -0.12 0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.70 2ju5 n ILE 60 Cb 0.93 -1.69 0.12 0.00 -0.71 0.00 0.00 39.64 38.28 2ju5 n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ju5 h LEU 61 N -0.28 1.11 -1.05 1.39 -0.00 -1.26 -2.14 115.31 113.08 2ju5 h LEU 61 Ca -0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2ju5 h LEU 61 Cb 0.78 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2ju5 h LEU 61 CO -0.07 0.79 0.00 0.00 -0.00 0.00 0.00 178.44 179.16 2ju5 n GLN 62 N -4.42 1.69 -2.65 1.13 6.02 -0.59 -4.38 117.38 114.18 2ju5 n GLN 62 Ca 0.12 -1.04 -0.33 0.00 -0.01 0.00 0.00 57.00 55.74 2ju5 n GLN 62 Cb 0.04 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ju5 s SER 63 N -1.62 6.72 0.21 1.08 1.04 -0.80 -4.92 113.70 115.41 2ju5 s SER 63 Ca 0.33 1.71 -0.10 0.00 0.48 0.00 0.00 55.95 58.37 2ju5 s SER 63 Cb 0.18 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.92 2ju5 s SER 63 CO 0.27 -0.52 1.88 0.28 0.98 0.00 0.00 173.24 176.13 2ju5 h SER 64 N 1.58 0.89 -0.60 7.02 0.02 -1.91 -1.16 113.55 119.39 2ju5 h SER 64 Ca -0.49 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2ju5 h SER 64 Cb 1.19 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2ju5 h SER 64 CO 0.61 0.65 0.21 -0.33 -1.14 0.00 0.00 176.83 176.83 2ju5 h GLU 65 N 1.04 0.92 -0.48 3.45 4.39 -1.92 -1.49 114.58 120.50 2ju5 h GLU 65 Ca 0.28 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2ju5 h GLU 65 Cb -0.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2ju5 h GLU 65 CO -0.06 0.80 0.19 0.35 -1.16 0.00 0.00 179.01 179.13 2ju5 h PHE 66 N 0.84 0.73 -0.43 4.33 3.04 -1.71 -1.63 116.94 122.11 2ju5 h PHE 66 Ca 0.20 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 2ju5 h PHE 66 Cb 0.25 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 2ju5 h PHE 66 CO 0.02 0.62 0.25 0.87 -2.02 0.00 0.00 178.31 178.05 2ju5 h LYS 67 N 0.63 0.59 -0.28 1.11 1.57 -0.96 -0.03 116.57 119.19 2ju5 h LYS 67 Ca 0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2ju5 h LYS 67 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ju5 h LYS 67 CO -0.01 0.45 0.02 1.25 -0.57 0.00 0.00 179.45 180.58 2ju5 h HIS 68 N 0.57 0.53 0.10 -1.35 2.76 -1.17 -0.87 115.15 115.73 2ju5 h HIS 68 Ca 0.15 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2ju5 h HIS 68 Cb 0.01 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2ju5 h HIS 68 CO -0.03 0.62 -0.05 0.35 -1.30 0.00 0.00 177.93 177.52 2ju5 h PHE 69 N 0.29 -0.13 -0.33 5.26 3.57 -1.16 -2.56 116.94 121.89 2ju5 h PHE 69 Ca 0.08 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2ju5 h PHE 69 Cb 0.40 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ju5 h PHE 69 CO 0.03 0.01 -0.24 0.00 -2.23 0.00 0.00 178.31 175.88 2ju5 h ALA 70 N 0.64 0.97 -0.53 2.41 0.00 -1.01 0.16 119.26 121.91 2ju5 h ALA 70 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2ju5 h ALA 70 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ju5 h ALA 70 CO 0.02 0.60 0.06 0.78 0.00 0.00 0.00 179.25 180.71 2ju5 h GLY 71 N 1.00 0.92 0.28 0.00 0.00 -1.13 -0.08 103.07 104.06 2ju5 h GLY 71 Ca 0.08 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 2ju5 h GLY 71 CO 0.05 0.55 -0.81 -2.08 0.00 0.00 0.00 176.54 174.25 2ju5 h VAL 72 N 0.81 1.34 -0.01 4.60 2.07 -1.27 -3.41 116.25 120.37 2ju5 h VAL 72 Ca 0.16 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.32 2ju5 h VAL 72 Cb 0.41 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2ju5 h VAL 72 CO 0.01 0.59 -0.18 1.41 0.02 0.00 0.00 177.57 179.43 2ju5 n HIS 73 N -4.29 0.00 -4.18 1.57 -0.00 0.55 -5.07 115.22 103.80 2ju5 n HIS 73 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.41 2ju5 n HIS 73 Cb 0.70 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.59 2ju5 n HIS 73 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ju5 s LEU 74 N -1.64 1.56 -0.18 2.41 1.02 -0.04 -4.53 118.68 117.28 2ju5 s LEU 74 Ca 0.14 -1.28 -0.01 0.00 0.02 0.00 0.00 54.13 52.99 2ju5 s LEU 74 Cb 0.12 0.29 -0.00 0.00 0.02 0.00 0.00 46.19 46.61 2ju5 s LEU 74 CO 0.29 -0.76 -0.11 -1.00 0.02 0.00 0.00 176.35 174.79 2ju5 s HIS 75 N -4.04 2.86 -0.08 0.29 3.76 -0.85 -4.56 115.29 112.66 2ju5 s HIS 75 Ca 0.30 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2ju5 s HIS 75 Cb 0.07 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 2ju5 s HIS 75 CO 0.06 -0.48 -0.04 -1.64 -0.85 0.00 0.00 174.74 171.79 2ju5 s MET 76 N 1.02 2.94 -0.05 1.40 -1.94 -1.26 -0.99 119.30 120.42 2ju5 s MET 76 Ca -0.01 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.51 2ju5 s MET 76 Cb -0.15 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.00 2ju5 s MET 76 CO -0.02 0.63 -0.17 0.08 -0.01 0.00 0.00 175.02 175.53 2ju5 s VAL 77 N -0.69 1.41 -0.20 -6.03 1.01 -0.16 0.14 120.40 115.88 2ju5 s VAL 77 Ca 0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 2ju5 s VAL 77 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2ju5 s VAL 77 CO 0.02 0.41 0.29 -0.70 0.00 0.00 0.00 175.10 175.12 2ju5 s GLU 78 N 0.22 4.17 -0.36 2.72 2.12 -1.26 -1.17 118.70 125.15 2ju5 s GLU 78 Ca -0.08 0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2ju5 s GLU 78 Cb -0.13 -3.50 0.11 0.00 0.26 0.00 0.00 34.13 30.88 2ju5 s GLU 78 CO 0.03 0.09 0.15 0.08 -0.54 0.00 0.00 175.26 175.07 2ju5 s VAL 79 N 0.94 1.23 0.05 3.70 1.01 0.05 -4.91 120.40 122.45 2ju5 s VAL 79 Ca 0.15 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.20 2ju5 s VAL 79 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2ju5 s VAL 79 CO 0.05 -0.75 0.04 -1.81 0.00 0.00 0.00 175.10 172.62 2ju5 s ASP 80 N 1.05 5.31 -0.59 3.32 1.01 -1.26 -2.05 116.67 123.46 2ju5 s ASP 80 Ca 0.13 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.42 2ju5 s ASP 80 Cb -0.20 -1.40 0.21 0.00 1.01 0.00 0.00 42.92 42.54 2ju5 s ASP 80 CO -0.13 0.22 0.57 0.49 0.21 0.00 0.00 175.17 176.53 2ju5 n PHE 81 N 0.87 2.19 -1.48 4.23 3.01 0.79 -4.94 117.46 122.12 2ju5 n PHE 81 Ca -0.11 -3.98 -0.31 0.00 1.01 0.00 0.00 57.45 54.05 2ju5 n PHE 81 Cb 0.52 -0.43 0.07 0.00 -0.01 0.00 0.00 39.48 39.63 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ju5 s PRO 82 N -1.58 2.63 0.13 -1.08 0.04 -1.26 -4.48 135.00 129.40 2ju5 s PRO 82 Ca 0.33 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2ju5 s PRO 82 Cb 0.08 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2ju5 s PRO 82 CO -0.11 -1.32 1.38 1.96 0.04 0.00 0.00 177.00 178.95 2ju5 h GLN 83 N -0.88 0.79 -4.10 4.56 1.08 -1.95 -3.36 115.11 111.24 2ju5 h GLN 83 Ca -0.44 -0.56 -0.75 0.00 -1.45 0.00 0.00 58.65 55.44 2ju5 h GLN 83 Cb 1.22 0.09 -0.26 0.00 -0.05 0.00 0.00 27.48 28.49 2ju5 h GLN 83 CO 0.56 1.19 -0.23 0.21 -0.95 0.00 0.00 178.83 179.60 2ju5 s LYS 84 N -3.94 2.93 -0.16 1.46 2.20 -1.26 -5.04 119.74 115.93 2ju5 s LYS 84 Ca -0.10 -1.80 -0.21 0.00 -0.36 0.00 0.00 55.97 53.50 2ju5 s LYS 84 Cb 0.10 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 2ju5 s LYS 84 CO 0.89 -1.30 0.64 -0.80 -0.36 0.00 0.00 175.35 174.43 2ju5 s ASN 85 N 3.24 6.77 -0.03 1.43 0.01 -1.26 -4.91 114.94 120.19 2ju5 s ASN 85 Ca 0.05 0.93 0.04 0.00 -0.71 0.00 0.00 52.86 53.17 2ju5 s ASN 85 Cb -0.27 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.08 2ju5 s ASN 85 CO 0.01 -0.22 0.88 1.41 -1.51 0.00 0.00 177.10 177.67 2ju5 n HIS 86 N 4.64 0.00 -3.07 2.20 8.25 -1.26 -5.08 115.22 120.90 2ju5 n HIS 86 Ca -0.02 -0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 56.86 2ju5 n HIS 86 Cb 0.50 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2ju5 n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ju5 s GLN 87 N -0.74 3.75 0.66 -0.41 -0.21 -1.26 -5.06 119.66 116.38 2ju5 s GLN 87 Ca 0.06 0.32 -0.16 0.00 0.02 0.00 0.00 55.36 55.60 2ju5 s GLN 87 Cb 0.06 -2.50 -0.00 0.00 1.00 0.00 0.00 33.01 31.57 2ju5 s GLN 87 CO 0.01 0.08 1.14 -1.25 -2.12 0.00 0.00 175.29 173.15 2ju5 s PRO 88 N -3.62 2.73 0.21 2.91 0.04 -1.26 -4.82 135.00 131.18 2ju5 s PRO 88 Ca 0.49 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 2ju5 s PRO 88 Cb -0.10 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.78 2ju5 s PRO 88 CO 0.29 -1.33 1.72 0.93 0.04 0.00 0.00 177.00 178.66 2ju5 h GLU 89 N 0.14 0.30 -1.00 4.56 5.08 -1.99 -1.48 114.58 120.19 2ju5 h GLU 89 Ca -0.48 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2ju5 h GLU 89 Cb 1.26 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 2ju5 h GLU 89 CO 0.53 0.20 0.66 0.93 -1.00 0.00 0.00 179.01 180.33 2ju5 h GLU 90 N 0.31 1.22 -0.43 2.33 5.08 -2.00 -0.68 114.58 120.41 2ju5 h GLU 90 Ca 0.30 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 2ju5 h GLU 90 Cb 0.42 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ju5 h GLU 90 CO -0.36 0.81 -0.31 0.37 -1.00 0.00 0.00 179.01 178.52 2ju5 h GLN 91 N 1.26 0.96 -0.46 2.33 4.15 -1.73 -2.30 115.11 119.32 2ju5 h GLN 91 Ca 0.40 -0.46 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 91 Cb 0.01 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2ju5 h GLN 91 CO -0.13 1.12 0.02 0.00 -1.93 0.00 0.00 178.83 177.92 2ju5 h ARG 92 N 0.80 0.80 -0.43 1.69 3.08 -0.75 -0.41 114.38 119.17 2ju5 h ARG 92 Ca 0.08 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2ju5 h ARG 92 Cb 0.90 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2ju5 h ARG 92 CO 0.08 0.85 0.19 1.96 -1.07 0.00 0.00 179.97 181.98 2ju5 h GLN 93 N 0.66 0.62 -0.50 0.04 1.08 -1.11 -0.89 115.11 115.01 2ju5 h GLN 93 Ca 0.13 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2ju5 h GLN 93 Cb 0.47 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2ju5 h GLN 93 CO 0.02 0.55 0.28 -0.22 -0.95 0.00 0.00 178.83 178.51 2ju5 h LYS 94 N 0.54 0.70 -0.88 1.46 3.64 -1.29 -1.07 116.57 119.67 2ju5 h LYS 94 Ca 0.14 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2ju5 h LYS 94 Cb 0.15 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2ju5 h LYS 94 CO -0.02 0.54 0.53 -0.91 -2.27 0.00 0.00 179.45 177.33 2ju5 h ASN 95 N 0.67 1.07 -0.51 4.20 -0.26 -0.75 0.61 115.58 120.60 2ju5 h ASN 95 Ca 0.18 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.74 2ju5 h ASN 95 Cb 0.05 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 2ju5 h ASN 95 CO -0.03 0.82 -0.08 1.56 -1.06 0.00 0.00 177.43 178.64 2ju5 h GLN 96 N 1.22 0.99 -0.52 0.81 4.20 -0.80 0.35 115.11 121.37 2ju5 h GLN 96 Ca 0.32 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2ju5 h GLN 96 Cb -0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2ju5 h GLN 96 CO -0.06 1.02 0.10 1.49 -0.67 0.00 0.00 178.83 180.71 2ju5 h GLU 97 N 0.89 0.85 -0.53 1.46 4.81 -0.61 -0.93 114.58 120.52 2ju5 h GLU 97 Ca 0.14 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2ju5 h GLU 97 Cb 0.63 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2ju5 h GLU 97 CO 0.04 0.83 0.01 1.25 -0.73 0.00 0.00 179.01 180.41 2ju5 h LEU 98 N 0.73 0.91 -0.88 1.64 5.85 -0.70 0.50 115.31 123.36 2ju5 h LEU 98 Ca 0.16 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2ju5 h LEU 98 Cb 0.38 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2ju5 h LEU 98 CO 0.01 0.99 0.51 0.50 -0.34 0.00 0.00 178.44 180.11 2ju5 h LYS 99 N 0.81 1.21 -0.00 1.25 3.64 -0.74 -1.92 116.57 120.82 2ju5 h LYS 99 Ca 0.15 -0.12 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 2ju5 h LYS 99 Cb 0.52 -0.25 0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2ju5 h LYS 99 CO 0.03 0.87 -1.01 0.00 -2.27 0.00 0.00 179.45 177.06 2ju5 h ALA 100 N 1.28 0.20 -0.36 5.00 0.00 -0.90 0.16 119.26 124.64 2ju5 h ALA 100 Ca 0.31 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 54.57 2ju5 h ALA 100 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ju5 h ALA 100 CO -0.06 0.73 0.10 0.37 0.00 0.00 0.00 179.25 180.40 2ju5 h GLN 101 N 0.35 0.24 -0.58 0.00 4.15 0.46 -1.82 115.11 117.89 2ju5 h GLN 101 Ca -0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 101 Cb 1.66 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.30 2ju5 h GLN 101 CO 0.19 0.16 0.00 0.66 -1.93 0.00 0.00 178.83 177.91 2ju5 n TYR 102 N -5.05 0.95 -3.77 3.99 4.01 -0.76 -4.92 117.16 111.61 2ju5 n TYR 102 Ca 0.02 -0.39 -0.23 0.00 -0.16 0.00 0.00 57.90 57.13 2ju5 n TYR 102 Cb 0.15 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ju5 n LYS 103 N 0.75 -4.04 -3.08 -0.72 5.02 -0.69 -4.91 118.16 110.50 2ju5 n LYS 103 Ca 0.17 0.55 -0.40 0.00 -2.02 0.00 0.00 58.31 56.61 2ju5 n LYS 103 Cb 0.60 -4.90 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 2ju5 n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ju5 s VAL 104 N -3.74 4.99 0.00 -0.18 1.01 0.54 -4.88 120.40 118.14 2ju5 s VAL 104 Ca 0.05 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 2ju5 s VAL 104 Cb -0.02 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2ju5 s VAL 104 CO 0.84 0.07 -0.01 0.35 0.00 0.00 0.00 175.10 176.35 2ju5 n THR 105 N 4.86 0.11 -3.77 3.92 -2.24 -1.26 -4.76 114.28 111.14 2ju5 n THR 105 Ca -0.00 0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 2ju5 n THR 105 Cb 0.49 -1.51 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 106 N -4.95 2.23 0.07 3.38 0.00 -1.26 -5.11 107.32 101.68 2ju5 s GLY 106 Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.13 2ju5 s GLY 106 CO 0.01 -0.55 -0.16 -0.11 0.00 0.00 0.00 173.10 172.29 2ju5 s PHE 107 N -1.49 1.40 0.33 1.90 -0.12 -1.26 -3.96 117.98 114.79 2ju5 s PHE 107 Ca 0.34 -0.42 -0.26 0.00 -0.05 0.00 0.00 56.93 56.55 2ju5 s PHE 107 Cb -0.13 -0.80 -0.10 0.00 -0.63 0.00 0.00 43.02 41.37 2ju5 s PHE 107 CO 0.23 0.09 0.99 -1.25 -0.05 0.00 0.00 175.22 175.23 2ju5 s PRO 108 N -1.59 4.49 -0.03 1.99 0.04 -1.26 -4.75 135.00 133.90 2ju5 s PRO 108 Ca 0.02 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2ju5 s PRO 108 Cb -0.09 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.66 2ju5 s PRO 108 CO 0.02 0.17 0.02 -2.00 0.04 0.00 0.00 177.00 175.25 2ju5 s GLU 109 N -2.03 0.12 -0.20 4.56 2.12 -1.15 -3.78 118.70 118.34 2ju5 s GLU 109 Ca 0.51 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 2ju5 s GLU 109 Cb -0.22 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.77 2ju5 s GLU 109 CO 0.28 -0.18 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.53 2ju5 s LEU 110 N 1.22 2.55 -0.12 2.70 0.20 0.34 -2.28 118.68 123.29 2ju5 s LEU 110 Ca -0.07 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.26 2ju5 s LEU 110 Cb -0.13 -1.62 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2ju5 s LEU 110 CO -0.03 0.00 -0.15 0.68 -0.29 0.00 0.00 176.35 176.56 2ju5 s VAL 111 N 1.30 2.84 -0.22 1.68 -7.23 -1.19 -0.38 120.40 117.20 2ju5 s VAL 111 Ca 0.04 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.35 2ju5 s VAL 111 Cb -0.14 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2ju5 s VAL 111 CO -0.06 0.53 0.20 -0.36 -0.31 0.00 0.00 175.10 175.10 2ju5 s PHE 112 N 0.32 3.35 0.14 2.82 0.08 0.70 -2.34 117.98 123.04 2ju5 s PHE 112 Ca -0.12 0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.31 2ju5 s PHE 112 Cb -0.16 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 2ju5 s PHE 112 CO 0.06 0.10 -0.11 0.96 -0.10 0.00 0.00 175.22 176.13 2ju5 s ILE 113 N 0.95 1.22 0.58 0.64 -4.36 -0.35 -0.40 121.20 119.48 2ju5 s ILE 113 Ca 0.10 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2ju5 s ILE 113 Cb -0.13 -1.70 0.12 0.00 1.25 0.00 0.00 42.46 41.99 2ju5 s ILE 113 CO 0.04 -0.62 0.79 0.47 0.24 0.00 0.00 174.94 175.86 2ju5 n ASP 114 N 0.10 0.92 0.08 4.36 8.00 -0.43 0.59 116.55 130.17 2ju5 n ASP 114 Ca -0.12 -1.81 0.10 0.00 0.71 0.00 0.00 54.79 53.67 2ju5 n ASP 114 Cb 0.59 -0.53 0.42 0.00 -0.02 0.00 0.00 41.12 41.59 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ju5 n ALA 115 N -3.01 1.73 1.04 2.24 0.00 -1.26 -1.70 120.51 119.54 2ju5 n ALA 115 Ca -0.13 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2ju5 n ALA 115 Cb 0.45 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.68 2ju5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ju5 n GLU 116 N -1.94 2.00 -0.68 0.00 1.02 -1.26 -4.82 120.64 114.96 2ju5 n GLU 116 Ca 0.03 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 2ju5 n GLU 116 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.35 0.61 3.75 0.62 0.00 -0.69 -5.04 105.19 105.79 2ju5 n GLY 117 Ca 0.13 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2ju5 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ju5 s LYS 118 N -0.89 4.62 -0.15 1.61 1.02 -1.26 -4.76 119.74 119.94 2ju5 s LYS 118 Ca 0.00 1.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 2ju5 s LYS 118 Cb 0.00 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2ju5 s LYS 118 CO 0.00 0.35 1.03 -1.14 -0.92 0.00 0.00 175.35 174.68 2ju5 s GLN 119 N -0.42 4.36 -0.18 1.68 0.74 -1.26 -1.32 119.66 123.26 2ju5 s GLN 119 Ca 0.41 1.40 0.12 0.00 0.05 0.00 0.00 55.36 57.34 2ju5 s GLN 119 Cb -0.23 -3.58 -0.23 0.00 1.10 0.00 0.00 33.01 30.07 2ju5 s GLN 119 CO 0.27 -0.44 0.11 1.28 -0.55 0.00 0.00 175.29 175.96 2ju5 n LEU 120 N 5.51 0.92 -3.61 3.68 4.77 0.46 -4.99 117.00 123.75 2ju5 n LEU 120 Ca 0.10 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2ju5 n LEU 120 Cb 0.48 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2ju5 n LEU 120 CO 0.52 0.60 1.07 0.00 -1.33 0.00 0.00 177.39 178.25 2ju5 s ALA 121 N -2.52 -2.22 -0.12 -1.18 0.00 -1.22 -4.63 121.76 109.88 2ju5 s ALA 121 Ca -0.15 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2ju5 s ALA 121 Cb 0.07 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2ju5 s ALA 121 CO 0.78 -0.90 0.32 -0.98 0.00 0.00 0.00 175.76 174.98 2ju5 s ARG 122 N -2.36 0.38 0.07 0.00 1.70 -1.26 -0.22 118.95 117.26 2ju5 s ARG 122 Ca 0.13 0.45 -0.07 0.00 -0.47 0.00 0.00 55.73 55.77 2ju5 s ARG 122 Cb 0.03 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2ju5 s ARG 122 CO -0.04 -0.05 0.13 -1.64 -1.08 0.00 0.00 175.30 172.62 2ju5 s MET 123 N 0.18 0.76 0.00 3.89 -1.94 0.48 -4.98 119.30 117.70 2ju5 s MET 123 Ca -0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 2ju5 s MET 123 Cb -0.02 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.12 2ju5 s MET 123 CO 0.00 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 2ju5 n GLY 124 N 0.06 5.21 3.72 -0.03 0.00 -1.26 0.13 105.19 113.01 2ju5 n GLY 124 Ca -0.15 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 3.39 3.67 -0.13 1.61 5.36 -1.25 -4.87 117.98 125.77 2ju5 s PHE 125 Ca 0.00 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 2ju5 s PHE 125 Cb 0.00 -2.99 0.06 0.00 -0.34 0.00 0.00 43.02 39.75 2ju5 s PHE 125 CO 0.00 0.08 0.14 -1.21 -1.46 0.00 0.00 175.22 172.77 2ju5 s GLU 126 N 0.69 0.06 0.73 10.12 0.41 -1.26 -5.11 118.70 124.33 2ju5 s GLU 126 Ca 0.46 0.27 -0.16 0.00 -0.41 0.00 0.00 54.97 55.12 2ju5 s GLU 126 Cb -0.20 -0.97 -0.02 0.00 -1.78 0.00 0.00 34.13 31.15 2ju5 s GLU 126 CO 0.25 -0.49 0.65 -2.30 -0.49 0.00 0.00 175.26 172.87 2ju5 n PRO 127 N 5.31 0.32 0.00 0.39 -0.02 -1.26 -4.24 135.00 135.49 2ju5 n PRO 127 Ca -0.05 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2ju5 n PRO 127 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2ju5 n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ju5 n GLY 128 N 1.48 1.52 0.00 -1.23 0.00 -1.26 -4.99 105.19 100.71 2ju5 n GLY 128 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ju5 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju5 n GLY 129 N 0.00 0.02 0.21 -0.02 0.00 -1.26 -4.42 105.19 99.72 2ju5 n GLY 129 Ca 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2ju5 n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ju5 h GLY 130 N 0.00 0.74 0.99 -0.02 0.00 -1.87 -2.73 103.07 100.18 2ju5 h GLY 130 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2ju5 h GLY 130 CO 0.00 0.45 0.24 0.00 0.00 0.00 0.00 176.54 177.23 2ju5 h ALA 131 N 0.94 0.49 -0.52 3.60 0.00 -1.92 -2.32 119.26 119.53 2ju5 h ALA 131 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2ju5 h ALA 131 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2ju5 h ALA 131 CO 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.34 2ju5 h ALA 132 N 1.12 1.23 -0.65 0.00 0.00 -1.77 -2.81 119.26 116.38 2ju5 h ALA 132 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ju5 h ALA 132 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2ju5 h ALA 132 CO -0.03 0.53 0.27 -0.92 0.00 0.00 0.00 179.25 179.10 2ju5 h TYR 133 N 0.77 0.98 -0.58 0.00 3.20 -1.13 -2.79 116.97 117.40 2ju5 h TYR 133 Ca 0.17 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2ju5 h TYR 133 Cb 0.30 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2ju5 h TYR 133 CO 0.02 0.76 0.11 -0.39 -1.64 0.00 0.00 178.16 177.01 2ju5 h VAL 134 N 0.91 1.24 -0.78 1.81 -1.51 -1.19 -2.10 116.25 114.63 2ju5 h VAL 134 Ca 0.22 -0.92 0.02 0.00 -1.23 0.00 0.00 66.70 64.78 2ju5 h VAL 134 Cb 0.19 0.68 -0.04 0.00 -2.13 0.00 0.00 31.29 29.98 2ju5 h VAL 134 CO -0.02 0.34 0.51 -1.28 -1.23 0.00 0.00 177.57 175.89 2ju5 h SER 135 N 0.88 0.85 -0.54 4.19 0.87 -1.28 -1.93 113.55 116.59 2ju5 h SER 135 Ca 0.18 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 2ju5 h SER 135 Cb 0.37 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2ju5 h SER 135 CO 0.01 0.60 0.16 0.11 -0.53 0.00 0.00 176.83 177.18 2ju5 h LYS 136 N 1.01 0.84 -0.58 2.24 1.57 -1.22 -2.95 116.57 117.48 2ju5 h LYS 136 Ca 0.30 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2ju5 h LYS 136 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2ju5 h LYS 136 CO -0.09 0.78 -0.01 -0.24 -0.57 0.00 0.00 179.45 179.32 2ju5 h VAL 137 N 0.75 1.26 -0.69 0.50 3.04 -1.10 -2.31 116.25 117.71 2ju5 h VAL 137 Ca 0.17 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2ju5 h VAL 137 Cb 0.29 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 2ju5 h VAL 137 CO -0.00 0.41 0.45 0.11 -1.01 0.00 0.00 177.57 177.52 2ju5 h LYS 138 N 0.93 0.92 -0.34 4.17 1.57 -1.25 0.10 116.57 122.67 2ju5 h LYS 138 Ca 0.17 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.55 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2ju5 h LYS 138 CO 0.03 0.62 -0.17 0.77 -0.57 0.00 0.00 179.45 180.13 2ju5 h SER 139 N 0.94 0.62 -0.46 0.86 0.02 -1.41 -2.28 113.55 111.83 2ju5 h SER 139 Ca 0.25 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2ju5 h SER 139 Cb -0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2ju5 h SER 139 CO -0.05 0.80 -0.12 0.00 -1.14 0.00 0.00 176.83 176.32 2ju5 h ALA 140 N 1.26 0.63 -0.01 3.77 0.00 -0.72 -3.13 119.26 121.05 2ju5 h ALA 140 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ju5 h ALA 140 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ju5 h ALA 140 CO 0.04 0.53 -0.04 1.28 0.00 0.00 0.00 179.25 181.06 2ju5 n LEU 141 N -4.25 1.12 -3.60 0.00 4.32 0.27 -4.58 117.00 110.28 2ju5 n LEU 141 Ca -0.00 -0.35 -0.26 0.00 -0.02 0.00 0.00 56.01 55.38 2ju5 n LEU 141 Cb 0.39 -0.03 0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2ju5 n LEU 141 CO 0.44 0.19 0.15 0.29 -1.22 0.00 0.00 177.39 177.25 2ju5 n LYS 142 N -0.21 -6.55 -4.29 3.23 4.01 -0.88 -4.96 118.16 108.52 2ju5 n LYS 142 Ca 0.19 0.75 -0.34 0.00 -0.51 0.00 0.00 58.31 58.40 2ju5 n LYS 142 Cb 0.31 -5.72 -0.13 0.00 -0.51 0.00 0.00 35.03 28.98 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 2ju5 s LEU 143 N -7.17 3.01 0.00 -0.35 0.05 -1.11 -5.08 118.68 108.03 2ju5 s LEU 143 Ca 0.56 -0.27 0.15 0.00 0.05 0.00 0.00 54.13 54.62 2ju5 s LEU 143 Cb -0.26 -1.73 0.12 0.00 -2.05 0.00 0.00 46.19 42.26 2ju5 s LEU 143 CO 0.69 0.09 0.98 0.54 -0.55 0.00 0.00 176.35 178.10