#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 h ARG 2 N 0.00 0.86 -4.72 0.00 3.08 -2.04 -3.43 114.38 108.13 2ju5 h ARG 2 Ca 0.00 -0.19 -0.46 0.00 0.07 0.00 0.00 59.98 59.39 2ju5 h ARG 2 Cb 0.00 -0.12 -0.31 0.00 0.08 0.00 0.00 29.97 29.62 2ju5 h ARG 2 CO 0.00 0.80 -0.80 1.03 -1.07 0.00 0.00 179.97 179.93 2ju5 s ARG 3 N -5.36 1.20 0.16 0.04 0.52 -1.26 -5.04 118.95 109.21 2ju5 s ARG 3 Ca -0.13 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 54.58 2ju5 s ARG 3 Cb 0.12 -1.09 0.05 0.00 0.52 0.00 0.00 34.95 34.56 2ju5 s ARG 3 CO 0.80 0.13 1.70 0.00 0.02 0.00 0.00 175.30 177.95 2ju5 h ARG 4 N 6.44 0.84 -6.97 3.54 3.08 -1.94 -3.43 114.38 115.96 2ju5 h ARG 4 Ca -0.33 -0.17 -0.51 0.00 0.07 0.00 0.00 59.98 59.04 2ju5 h ARG 4 Cb 1.17 -0.13 0.06 0.00 0.08 0.00 0.00 29.97 31.15 2ju5 h ARG 4 CO 0.48 0.75 0.50 0.00 -1.07 0.00 0.00 179.97 180.63 2ju5 s ALA 5 N -5.46 3.09 0.13 0.04 0.00 -1.26 -4.94 121.76 113.35 2ju5 s ALA 5 Ca -0.13 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 2ju5 s ALA 5 Cb 0.12 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2ju5 s ALA 5 CO 0.79 -0.57 1.71 0.66 0.00 0.00 0.00 175.76 178.36 2ju5 h SER 6 N 2.41 0.46 -4.14 0.00 4.64 -2.06 -3.44 113.55 111.43 2ju5 h SER 6 Ca -0.49 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 60.57 2ju5 h SER 6 Cb 1.24 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2ju5 h SER 6 CO 0.62 0.45 0.02 0.61 -0.87 0.00 0.00 176.83 177.66 2ju5 n GLY 7 N -0.89 0.99 3.49 -0.77 0.00 -1.26 -5.08 105.19 101.68 2ju5 n GLY 7 Ca -0.01 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.13 3.70 -0.12 1.61 2.02 -1.26 -4.97 118.70 116.54 2ju5 s GLU 8 Ca 0.20 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 2ju5 s GLU 8 Cb -0.01 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2ju5 s GLU 8 CO 0.13 0.10 -0.08 -0.80 0.02 0.00 0.00 175.26 174.62 2ju5 s ASN 9 N 0.79 4.44 -0.11 -0.19 0.01 -1.26 -5.10 114.94 113.51 2ju5 s ASN 9 Ca 0.01 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 2ju5 s ASN 9 Cb -0.14 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 39.99 2ju5 s ASN 9 CO 0.02 0.22 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.45 2ju5 s LEU 10 N 0.05 1.79 -0.25 0.60 2.96 -1.26 -5.11 118.68 117.46 2ju5 s LEU 10 Ca -0.02 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2ju5 s LEU 10 Cb -0.14 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.45 2ju5 s LEU 10 CO 0.03 0.03 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.41 2ju5 s GLN 11 N 0.95 2.45 0.00 1.98 2.00 -1.26 -5.09 119.66 120.70 2ju5 s GLN 11 Ca -0.07 -1.21 -0.17 0.00 -2.00 0.00 0.00 55.36 51.91 2ju5 s GLN 11 Cb -0.15 -2.88 0.03 0.00 0.80 0.00 0.00 33.01 30.81 2ju5 s GLN 11 CO -0.02 -0.50 0.37 -1.14 -0.50 0.00 0.00 175.29 173.51 2ju5 s GLN 12 N 1.18 0.79 0.76 1.67 2.00 -1.26 -5.17 119.66 119.62 2ju5 s GLN 12 Ca -0.05 -0.23 -0.11 0.00 -2.00 0.00 0.00 55.36 52.97 2ju5 s GLN 12 Cb -0.18 0.35 0.06 0.00 0.80 0.00 0.00 33.01 34.03 2ju5 s GLN 12 CO -0.06 -0.24 1.13 0.95 -0.50 0.00 0.00 175.29 176.57 2ju5 s THR 13 N -1.75 2.53 -0.36 -0.34 -4.23 -1.26 -5.04 115.64 105.20 2ju5 s THR 13 Ca -0.10 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 60.67 2ju5 s THR 13 Cb -0.03 -3.16 0.39 0.00 1.34 0.00 0.00 72.50 71.04 2ju5 s THR 13 CO 0.02 -0.21 0.85 0.54 -0.54 0.00 0.00 174.62 175.28 2ju5 n ARG 14 N -3.17 1.04 -2.20 3.99 1.74 -1.26 -5.12 116.66 111.69 2ju5 n ARG 14 Ca 0.08 -3.21 -0.34 0.00 -0.77 0.00 0.00 57.85 53.60 2ju5 n ARG 14 Cb 0.60 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2ju5 s PRO 15 N -2.47 3.35 0.14 5.56 0.04 -1.26 -4.95 135.00 135.40 2ju5 s PRO 15 Ca 0.34 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2ju5 s PRO 15 Cb 0.39 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2ju5 s PRO 15 CO -0.04 -0.82 1.67 0.82 0.04 0.00 0.00 177.00 178.67 2ju5 h ILE 16 N 0.94 1.21 -3.90 0.56 2.04 -2.08 -3.42 117.51 112.86 2ju5 h ILE 16 Ca -0.49 -0.67 -0.53 0.00 1.00 0.00 0.00 64.86 64.18 2ju5 h ILE 16 Cb 1.24 0.86 0.07 0.00 -0.74 0.00 0.00 36.82 38.26 2ju5 h ILE 16 CO 0.57 0.24 0.66 0.00 0.00 0.00 0.00 178.15 179.62 2ju5 s ALA 17 N -5.48 3.49 0.26 1.87 0.00 -1.26 -4.91 121.76 115.73 2ju5 s ALA 17 Ca -0.13 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 2ju5 s ALA 17 Cb 0.10 -3.50 0.35 0.00 0.00 0.00 0.00 23.12 20.07 2ju5 s ALA 17 CO 0.76 -0.73 1.78 0.00 0.00 0.00 0.00 175.76 177.57 2ju5 h ALA 18 N 3.25 1.13 0.00 0.00 0.00 -2.03 -3.45 119.26 118.16 2ju5 h ALA 18 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2ju5 h ALA 18 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ju5 h ALA 18 CO 0.65 0.57 0.00 0.00 0.00 0.00 0.00 179.25 180.46 2ju5 n ALA 19 N -2.47 0.00 -2.11 0.00 0.00 -1.26 -4.84 120.51 109.83 2ju5 n ALA 19 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2ju5 n ALA 19 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 2ju5 n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ju5 s ASN 20 N 0.00 5.20 0.23 0.00 4.22 -1.26 -4.96 114.94 118.37 2ju5 s ASN 20 Ca 0.00 -0.75 -0.30 0.00 -2.14 0.00 0.00 52.86 49.67 2ju5 s ASN 20 Cb 0.00 -0.15 -0.09 0.00 1.28 0.00 0.00 41.25 42.29 2ju5 s ASN 20 CO 0.00 -1.00 1.04 -0.22 -2.04 0.00 0.00 177.10 174.89 2ju5 s LEU 21 N -4.41 4.56 -0.43 3.54 2.96 -1.26 -5.01 118.68 118.61 2ju5 s LEU 21 Ca 0.53 2.09 -0.13 0.00 -0.22 0.00 0.00 54.13 56.41 2ju5 s LEU 21 Cb -0.06 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2ju5 s LEU 21 CO 0.33 -0.08 0.31 -1.10 -1.32 0.00 0.00 176.35 174.49 2ju5 s GLN 22 N -0.95 2.82 0.23 1.98 -0.21 -1.26 -5.06 119.66 117.21 2ju5 s GLN 22 Ca 0.45 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 2ju5 s GLN 22 Cb -0.29 -3.94 -0.09 0.00 1.00 0.00 0.00 33.01 29.69 2ju5 s GLN 22 CO 0.36 -0.94 0.98 -1.58 -2.12 0.00 0.00 175.29 171.99 2ju5 s TRP 23 N 1.55 3.88 0.34 0.91 0.51 -1.26 -4.47 118.94 120.40 2ju5 s TRP 23 Ca 0.03 1.85 0.07 0.00 -2.12 0.00 0.00 56.10 55.94 2ju5 s TRP 23 Cb -0.23 -3.06 -0.07 0.00 -0.81 0.00 0.00 33.47 29.31 2ju5 s TRP 23 CO 0.05 0.21 -0.04 -1.21 -0.51 0.00 0.00 176.95 175.45 2ju5 s GLU 24 N -1.07 1.76 0.65 4.98 0.41 -0.32 -5.04 118.70 120.08 2ju5 s GLU 24 Ca 0.43 -1.93 -0.11 0.00 -0.41 0.00 0.00 54.97 52.94 2ju5 s GLU 24 Cb -0.27 -1.45 -0.01 0.00 -1.78 0.00 0.00 34.13 30.62 2ju5 s GLU 24 CO 0.34 0.03 1.04 -1.54 -0.49 0.00 0.00 175.26 174.64 2ju5 s SER 25 N -3.57 5.83 0.19 -0.19 1.04 -1.26 -4.39 113.70 111.34 2ju5 s SER 25 Ca 0.33 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.86 2ju5 s SER 25 Cb 0.05 -2.16 0.11 0.00 0.10 0.00 0.00 66.02 64.13 2ju5 s SER 25 CO 0.15 -1.09 1.83 0.22 0.98 0.00 0.00 173.24 175.34 2ju5 h TYR 26 N -0.44 0.87 -0.30 5.02 3.20 -1.95 0.31 116.97 123.67 2ju5 h TYR 26 Ca -0.45 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.29 2ju5 h TYR 26 Cb 1.22 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2ju5 h TYR 26 CO 0.57 0.58 -0.37 0.00 -1.64 0.00 0.00 178.16 177.30 2ju5 h ALA 27 N 1.21 0.78 -0.41 1.82 0.00 -2.00 -2.79 119.26 117.86 2ju5 h ALA 27 Ca 0.24 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2ju5 h ALA 27 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 27 CO -0.05 0.65 -0.31 0.93 0.00 0.00 0.00 179.25 180.48 2ju5 h GLU 28 N 0.58 0.94 -0.36 0.00 5.08 -1.79 -2.40 114.58 116.63 2ju5 h GLU 28 Ca 0.05 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2ju5 h GLU 28 Cb 0.90 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 2ju5 h GLU 28 CO 0.08 1.12 0.14 0.00 -1.00 0.00 0.00 179.01 179.35 2ju5 h ALA 29 N 0.80 0.42 -0.58 3.43 0.00 -0.30 -0.65 119.26 122.38 2ju5 h ALA 29 Ca 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2ju5 h ALA 29 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2ju5 h ALA 29 CO 0.08 -0.25 0.07 -0.07 0.00 0.00 0.00 179.25 179.08 2ju5 h LEU 30 N 0.30 0.94 -0.56 0.00 3.38 -1.48 -0.39 115.31 117.50 2ju5 h LEU 30 Ca 0.16 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2ju5 h LEU 30 CO -0.15 0.98 0.28 -0.33 0.09 0.00 0.00 178.44 179.31 2ju5 h GLU 31 N 0.87 0.51 -0.32 1.13 5.08 -0.89 0.35 114.58 121.32 2ju5 h GLU 31 Ca 0.17 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2ju5 h GLU 31 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ju5 h GLU 31 CO 0.02 0.34 -0.17 0.45 -1.00 0.00 0.00 179.01 178.64 2ju5 h HIS 32 N 0.52 0.78 -0.22 4.33 3.86 -0.86 -3.13 115.15 120.44 2ju5 h HIS 32 Ca 0.25 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 2ju5 h HIS 32 Cb 0.19 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2ju5 h HIS 32 CO -0.11 0.90 -0.17 0.77 0.86 0.00 0.00 177.93 180.18 2ju5 h SER 33 N 0.44 0.37 -0.19 2.45 0.02 -0.36 2.39 113.55 118.67 2ju5 h SER 33 Ca 0.07 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2ju5 h SER 33 Cb 0.71 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2ju5 h SER 33 CO 0.05 0.57 0.13 0.11 -1.14 0.00 0.00 176.83 176.55 2ju5 h LYS 34 N 0.35 0.16 0.01 3.45 1.57 -0.28 1.17 116.57 123.00 2ju5 h LYS 34 Ca 0.06 -0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.43 2ju5 h LYS 34 Cb 0.51 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 2ju5 h LYS 34 CO 0.03 0.11 -2.44 1.04 -0.57 0.00 0.00 179.45 177.62 2ju5 n GLN 35 N -4.50 0.64 0.04 3.15 6.02 -0.42 -4.63 117.38 117.68 2ju5 n GLN 35 Ca 0.01 0.19 0.10 0.00 -0.01 0.00 0.00 57.00 57.29 2ju5 n GLN 35 Cb 0.15 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 2ju5 n GLN 35 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ju5 n ASP 36 N -3.52 0.38 -0.18 1.08 -0.08 0.79 -4.98 116.55 110.05 2ju5 n ASP 36 Ca -0.47 0.15 -0.02 0.00 -1.51 0.00 0.00 54.79 52.94 2ju5 n ASP 36 Cb 0.97 1.27 -0.01 0.00 2.34 0.00 0.00 41.12 45.68 2ju5 n ASP 36 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2ju5 n HIS 37 N -2.47 0.00 -2.49 -0.67 8.25 0.40 -4.95 115.22 113.29 2ju5 n HIS 37 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 2ju5 n HIS 37 Cb 0.58 -1.07 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 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 -1.35 4.48 0.70 -0.41 1.02 -1.26 -4.88 119.74 118.04 2ju5 s LYS 38 Ca 0.00 1.70 -0.16 0.00 0.02 0.00 0.00 55.97 57.52 2ju5 s LYS 38 Cb 0.00 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 2ju5 s LYS 38 CO 0.00 -0.17 1.07 -2.30 -0.92 0.00 0.00 175.35 173.04 2ju5 n PRO 39 N 3.67 0.67 -4.58 -1.68 -0.02 -1.26 -4.62 135.00 127.18 2ju5 n PRO 39 Ca 0.07 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2ju5 n PRO 39 Cb 0.47 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 2ju5 n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ju5 s ILE 40 N -1.71 3.58 -0.27 4.25 1.01 0.12 -1.69 121.20 126.50 2ju5 s ILE 40 Ca 0.76 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2ju5 s ILE 40 Cb -0.36 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2ju5 s ILE 40 CO 0.47 0.53 0.05 -0.83 0.00 0.00 0.00 174.94 175.16 2ju5 s GLY 41 N 0.03 1.74 -0.26 6.18 0.00 -0.14 -1.37 107.32 113.50 2ju5 s GLY 41 Ca -0.02 -1.30 -0.14 0.00 0.00 0.00 0.00 44.72 43.26 2ju5 s GLY 41 CO 0.03 0.57 0.34 1.08 0.00 0.00 0.00 173.10 175.12 2ju5 s LEU 42 N 1.52 4.06 -0.49 0.66 1.02 -1.04 -1.31 118.68 123.11 2ju5 s LEU 42 Ca 0.04 0.27 -0.19 0.00 0.02 0.00 0.00 54.13 54.28 2ju5 s LEU 42 Cb -0.16 -2.38 0.05 0.00 0.02 0.00 0.00 46.19 43.73 2ju5 s LEU 42 CO 0.01 -0.13 0.58 0.12 0.02 0.00 0.00 176.35 176.95 2ju5 s PHE 43 N 1.83 3.09 -0.25 0.29 5.36 -0.25 -3.23 117.98 124.82 2ju5 s PHE 43 Ca 0.14 -0.54 -0.16 0.00 -0.96 0.00 0.00 56.93 55.42 2ju5 s PHE 43 Cb -0.15 -3.40 -0.04 0.00 -0.34 0.00 0.00 43.02 39.09 2ju5 s PHE 43 CO 0.09 -0.95 0.40 -0.06 -1.46 0.00 0.00 175.22 173.24 2ju5 s PHE 44 N 2.46 3.29 0.25 10.12 0.08 -0.98 -0.87 117.98 132.33 2ju5 s PHE 44 Ca 0.14 0.50 -0.06 0.00 0.12 0.00 0.00 56.93 57.63 2ju5 s PHE 44 Cb -0.19 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2ju5 s PHE 44 CO 0.12 -0.17 0.44 0.25 -0.10 0.00 0.00 175.22 175.76 2ju5 n THR 45 N 4.88 0.00 -3.67 0.64 -2.24 -0.95 -2.82 114.28 110.12 2ju5 n THR 45 Ca -0.08 -0.90 -0.29 0.00 -2.27 0.00 0.00 64.05 60.52 2ju5 n THR 45 Cb 0.51 0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.41 1.65 0.42 3.38 0.00 -1.26 -0.58 107.32 108.51 2ju5 s GLY 46 Ca 0.14 -2.61 0.14 0.00 0.00 0.00 0.00 44.72 42.40 2ju5 s GLY 46 CO 0.11 1.62 1.94 1.76 0.00 0.00 0.00 173.10 178.53 2ju5 h SER 47 N 6.55 0.41 -0.01 1.64 0.02 -1.87 -0.41 113.55 119.87 2ju5 h SER 47 Ca 0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ju5 h SER 47 Cb 0.92 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2ju5 h SER 47 CO 0.47 0.23 -0.48 0.47 -1.14 0.00 0.00 176.83 176.38 2ju5 n ASP 48 N -4.48 1.68 0.00 3.07 8.00 -1.26 -4.73 116.55 118.83 2ju5 n ASP 48 Ca 0.12 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2ju5 n ASP 48 Cb 0.45 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 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 -0.28 0.00 -3.27 1.24 4.27 -1.08 -4.86 117.44 113.46 2ju5 n TRP 49 Ca 0.07 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.25 2ju5 n TRP 49 Cb 0.39 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.25 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 8.73 0.71 -0.21 0.00 4.05 -1.96 -2.94 114.93 123.32 2ju5 h MET 51 Ca -0.26 -0.59 -0.00 0.00 -0.28 0.00 0.00 59.70 58.56 2ju5 h MET 51 Cb 1.11 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 2ju5 h MET 51 CO 0.81 1.20 0.11 -1.49 0.23 0.00 0.00 176.91 177.78 2ju5 h TRP 52 N 0.41 0.27 -0.52 1.39 6.55 -1.92 -0.73 115.95 121.39 2ju5 h TRP 52 Ca -0.05 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.68 2ju5 h TRP 52 Cb 1.34 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 29.54 2ju5 h TRP 52 CO 0.10 0.19 -0.10 0.00 -1.05 0.00 0.00 178.44 177.58 2ju5 h ILE 54 N 0.86 1.13 -0.38 0.00 2.04 -1.00 0.18 117.51 120.35 2ju5 h ILE 54 Ca 0.14 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ju5 h ILE 54 Cb 0.66 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2ju5 h ILE 54 CO 0.05 0.13 0.22 0.11 0.00 0.00 0.00 178.15 178.65 2ju5 h LYS 55 N 0.64 0.52 -0.40 2.37 1.79 -0.90 1.70 116.57 122.29 2ju5 h LYS 55 Ca 0.17 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2ju5 h LYS 55 Cb -0.05 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2ju5 h LYS 55 CO -0.04 0.40 0.16 1.98 -1.08 0.00 0.00 179.45 180.88 2ju5 h MET 56 N 0.49 0.60 -0.07 3.15 4.05 -0.64 0.46 114.93 122.97 2ju5 h MET 56 Ca 0.13 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2ju5 h MET 56 Cb 0.02 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2ju5 h MET 56 CO -0.02 0.57 -0.02 0.37 0.23 0.00 0.00 176.91 178.03 2ju5 h GLN 57 N 0.51 0.14 -0.33 0.39 4.15 -0.34 0.24 115.11 119.87 2ju5 h GLN 57 Ca 0.13 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.38 2ju5 h GLN 57 Cb 0.19 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2ju5 h GLN 57 CO -0.01 0.48 -0.28 0.22 -1.93 0.00 0.00 178.83 177.32 2ju5 h ASP 58 N -0.21 0.70 0.61 -0.69 1.82 0.27 -1.62 116.42 117.30 2ju5 h ASP 58 Ca 0.02 -0.27 -0.19 0.00 -0.39 0.00 0.00 57.03 56.20 2ju5 h ASP 58 Cb 0.43 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 2ju5 h ASP 58 CO 0.01 0.95 -1.53 0.00 -1.61 0.00 0.00 179.24 177.06 2ju5 n GLN 59 N -4.09 0.63 -0.01 0.28 6.02 0.16 -4.47 117.38 115.90 2ju5 n GLN 59 Ca -0.00 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 2ju5 n GLN 59 Cb 0.45 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2ju5 n ILE 60 N -2.87 0.68 -0.30 5.09 5.41 0.83 -3.55 119.36 124.65 2ju5 n ILE 60 Ca -0.12 0.07 -0.05 0.00 1.00 0.00 0.00 62.75 63.66 2ju5 n ILE 60 Cb 0.87 -1.64 0.07 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.22 1.03 -0.87 1.39 -0.00 -1.26 -2.14 115.31 113.24 2ju5 h LEU 61 Ca -0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2ju5 h LEU 61 Cb 0.81 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2ju5 h LEU 61 CO -0.06 0.83 0.00 0.00 -0.00 0.00 0.00 178.44 179.21 2ju5 n GLN 62 N -4.40 1.58 -2.69 1.13 6.02 -0.63 -4.32 117.38 114.07 2ju5 n GLN 62 Ca 0.08 -0.87 -0.33 0.00 -0.01 0.00 0.00 57.00 55.87 2ju5 n GLN 62 Cb 0.09 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.77 6.67 0.17 1.08 1.04 -0.80 -4.93 113.70 115.16 2ju5 s SER 63 Ca 0.35 1.79 -0.14 0.00 0.48 0.00 0.00 55.95 58.44 2ju5 s SER 63 Cb 0.19 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.82 2ju5 s SER 63 CO 0.29 -0.55 1.83 -1.28 0.98 0.00 0.00 173.24 174.51 2ju5 h SER 64 N 1.74 0.62 -0.44 7.02 0.87 -1.91 -1.76 113.55 119.70 2ju5 h SER 64 Ca -0.49 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 2ju5 h SER 64 Cb 1.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2ju5 h SER 64 CO 0.60 0.46 0.22 -0.33 -0.53 0.00 0.00 176.83 177.25 2ju5 h GLU 65 N 0.72 0.63 -0.34 2.24 3.07 -1.91 -1.39 114.58 117.60 2ju5 h GLU 65 Ca 0.19 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 2ju5 h GLU 65 Cb -0.07 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 2ju5 h GLU 65 CO -0.04 0.54 -0.12 0.35 -1.40 0.00 0.00 179.01 178.34 2ju5 h PHE 66 N 0.57 0.77 -0.56 4.33 3.57 -1.74 -1.39 116.94 122.48 2ju5 h PHE 66 Ca 0.15 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2ju5 h PHE 66 Cb 0.11 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2ju5 h PHE 66 CO -0.01 0.86 0.34 0.87 -2.23 0.00 0.00 178.31 178.15 2ju5 h LYS 67 N 0.46 0.76 -0.26 1.11 1.57 -1.22 0.47 116.57 119.46 2ju5 h LYS 67 Ca 0.08 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ju5 h LYS 67 Cb 0.64 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2ju5 h LYS 67 CO 0.04 0.54 0.05 1.25 -0.57 0.00 0.00 179.45 180.76 2ju5 h HIS 68 N 0.76 0.45 -0.12 -1.35 2.76 -1.22 0.18 115.15 116.60 2ju5 h HIS 68 Ca 0.20 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2ju5 h HIS 68 Cb -0.03 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2ju5 h HIS 68 CO -0.02 0.53 0.07 0.35 -1.30 0.00 0.00 177.93 177.55 2ju5 h PHE 69 N 0.24 0.17 -0.49 5.26 3.57 -0.90 -2.43 116.94 122.36 2ju5 h PHE 69 Ca 0.08 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2ju5 h PHE 69 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2ju5 h PHE 69 CO 0.02 0.19 -0.10 0.00 -2.23 0.00 0.00 178.31 176.19 2ju5 h ALA 70 N 0.96 0.90 -0.48 2.41 0.00 0.04 0.44 119.26 123.54 2ju5 h ALA 70 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2ju5 h ALA 70 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2ju5 h ALA 70 CO -0.01 0.63 0.04 0.78 0.00 0.00 0.00 179.25 180.70 2ju5 h GLY 71 N 0.97 0.82 0.44 0.00 0.00 -0.59 0.33 103.07 105.04 2ju5 h GLY 71 Ca 0.13 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 46.72 2ju5 h GLY 71 CO 0.04 0.48 -1.17 -2.08 0.00 0.00 0.00 176.54 173.81 2ju5 h VAL 72 N 0.72 1.16 -0.01 4.60 2.07 -1.26 -3.41 116.25 120.12 2ju5 h VAL 72 Ca 0.15 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2ju5 h VAL 72 Cb 0.38 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2ju5 h VAL 72 CO 0.01 0.64 -0.33 1.41 0.02 0.00 0.00 177.57 179.32 2ju5 n HIS 73 N -4.09 0.00 -4.19 1.57 -0.00 0.15 -5.07 115.22 103.60 2ju5 n HIS 73 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.38 2ju5 n HIS 73 Cb 0.82 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.71 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 -1.98 1.28 -0.19 2.41 1.02 0.12 -4.08 118.68 117.26 2ju5 s LEU 74 Ca 0.10 -1.35 -0.02 0.00 0.02 0.00 0.00 54.13 52.89 2ju5 s LEU 74 Cb 0.11 0.37 -0.00 0.00 0.02 0.00 0.00 46.19 46.69 2ju5 s LEU 74 CO 0.37 -0.82 -0.09 -1.00 0.02 0.00 0.00 176.35 174.83 2ju5 s HIS 75 N -4.13 2.89 -0.13 0.29 3.76 -0.68 -4.50 115.29 112.79 2ju5 s HIS 75 Ca 0.36 -0.99 -0.05 0.00 -0.15 0.00 0.00 55.06 54.23 2ju5 s HIS 75 Cb 0.07 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2ju5 s HIS 75 CO 0.10 -0.51 0.06 -1.64 -0.85 0.00 0.00 174.74 171.90 2ju5 s MET 76 N 1.16 3.45 -0.07 1.40 -1.94 -1.26 -0.97 119.30 121.06 2ju5 s MET 76 Ca 0.01 -0.30 0.03 0.00 -1.71 0.00 0.00 55.69 53.72 2ju5 s MET 76 Cb -0.14 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2ju5 s MET 76 CO -0.03 0.59 -0.15 0.08 -0.01 0.00 0.00 175.02 175.50 2ju5 s VAL 77 N -0.52 1.34 -0.22 -6.03 1.01 -0.42 -1.17 120.40 114.38 2ju5 s VAL 77 Ca 0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2ju5 s VAL 77 Cb -0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ju5 s VAL 77 CO 0.02 0.40 0.39 -0.70 0.00 0.00 0.00 175.10 175.20 2ju5 s GLU 78 N 0.55 4.13 -0.38 2.72 2.12 -1.26 -1.09 118.70 125.49 2ju5 s GLU 78 Ca -0.15 0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.35 2ju5 s GLU 78 Cb -0.16 -3.56 0.11 0.00 0.26 0.00 0.00 34.13 30.78 2ju5 s GLU 78 CO 0.05 -0.09 0.15 0.08 -0.54 0.00 0.00 175.26 174.90 2ju5 s VAL 79 N 1.49 1.58 0.00 3.70 1.01 -0.05 -4.91 120.40 123.22 2ju5 s VAL 79 Ca 0.18 -2.23 0.01 0.00 0.00 0.00 0.00 61.98 59.94 2ju5 s VAL 79 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2ju5 s VAL 79 CO 0.08 -0.74 0.03 1.51 0.00 0.00 0.00 175.10 175.98 2ju5 s ASP 80 N 0.81 5.35 -0.59 3.32 -4.77 -1.26 -2.23 116.67 117.29 2ju5 s ASP 80 Ca 0.13 0.05 0.05 0.00 -3.30 0.00 0.00 52.55 49.48 2ju5 s ASP 80 Cb -0.21 -1.45 0.20 0.00 -1.09 0.00 0.00 42.92 40.37 2ju5 s ASP 80 CO -0.10 0.27 0.53 0.49 0.70 0.00 0.00 175.17 177.06 2ju5 n PHE 81 N 1.26 2.10 -1.80 2.11 3.01 0.25 -4.95 117.46 119.45 2ju5 n PHE 81 Ca -0.14 -3.99 -0.30 0.00 1.01 0.00 0.00 57.45 54.04 2ju5 n PHE 81 Cb 0.53 -0.40 0.05 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.39 2.75 0.10 -1.08 0.04 -1.26 -4.43 135.00 129.73 2ju5 s PRO 82 Ca 0.31 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.77 2ju5 s PRO 82 Cb 0.05 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2ju5 s PRO 82 CO -0.13 -1.13 1.30 1.96 0.04 0.00 0.00 177.00 179.04 2ju5 h GLN 83 N -0.73 0.77 -4.11 4.56 1.08 -1.96 -3.37 115.11 111.36 2ju5 h GLN 83 Ca -0.45 -0.62 -0.75 0.00 -1.45 0.00 0.00 58.65 55.38 2ju5 h GLN 83 Cb 1.25 0.12 -0.25 0.00 -0.05 0.00 0.00 27.48 28.55 2ju5 h GLN 83 CO 0.62 1.23 -0.24 0.21 -0.95 0.00 0.00 178.83 179.70 2ju5 s LYS 84 N -3.78 2.92 -0.10 1.46 2.20 -1.26 -5.04 119.74 116.15 2ju5 s LYS 84 Ca -0.11 -1.76 -0.21 0.00 -0.36 0.00 0.00 55.97 53.53 2ju5 s LYS 84 Cb 0.08 -4.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2ju5 s LYS 84 CO 0.89 -1.30 0.60 -0.80 -0.36 0.00 0.00 175.35 174.38 2ju5 s ASN 85 N 3.35 6.83 -0.01 1.43 0.01 -1.26 -4.93 114.94 120.36 2ju5 s ASN 85 Ca 0.04 0.99 0.01 0.00 -0.71 0.00 0.00 52.86 53.20 2ju5 s ASN 85 Cb -0.28 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2ju5 s ASN 85 CO 0.02 -0.08 0.74 1.41 -1.51 0.00 0.00 177.10 177.67 2ju5 n HIS 86 N 3.86 0.00 -2.67 2.20 8.25 -1.26 -5.09 115.22 120.51 2ju5 n HIS 86 Ca -0.04 -0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 56.98 2ju5 n HIS 86 Cb 0.51 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.33 3.81 0.68 -0.41 -0.21 -1.26 -5.05 119.66 116.89 2ju5 s GLN 87 Ca 0.02 0.62 -0.14 0.00 0.02 0.00 0.00 55.36 55.88 2ju5 s GLN 87 Cb 0.02 -2.30 0.01 0.00 1.00 0.00 0.00 33.01 31.74 2ju5 s GLN 87 CO 0.00 -0.13 1.10 -1.25 -2.12 0.00 0.00 175.29 172.89 2ju5 s PRO 88 N -3.99 2.72 0.22 2.91 0.04 -1.26 -4.78 135.00 130.86 2ju5 s PRO 88 Ca 0.54 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 2ju5 s PRO 88 Cb -0.10 -1.95 0.35 0.00 0.04 0.00 0.00 34.50 32.84 2ju5 s PRO 88 CO 0.33 -1.30 1.73 0.93 0.04 0.00 0.00 177.00 178.73 2ju5 h GLU 89 N -0.22 0.38 -0.88 4.56 4.39 -1.99 -0.36 114.58 120.46 2ju5 h GLU 89 Ca -0.46 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.26 2ju5 h GLU 89 Cb 1.24 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.75 2ju5 h GLU 89 CO 0.54 0.25 0.57 0.93 -1.16 0.00 0.00 179.01 180.13 2ju5 h GLU 90 N 0.39 1.05 -0.40 2.33 5.08 -1.99 0.11 114.58 121.15 2ju5 h GLU 90 Ca 0.35 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 2ju5 h GLU 90 Cb 0.49 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2ju5 h GLU 90 CO -0.36 0.69 -0.36 0.37 -1.00 0.00 0.00 179.01 178.35 2ju5 h GLN 91 N 1.08 0.94 -0.46 2.33 4.15 -1.65 -1.64 115.11 119.86 2ju5 h GLN 91 Ca 0.36 -0.48 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2ju5 h GLN 91 Cb 0.05 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2ju5 h GLN 91 CO -0.13 1.14 0.13 0.00 -1.93 0.00 0.00 178.83 178.04 2ju5 h ARG 92 N 0.77 0.73 -0.31 1.69 3.08 -0.42 -0.27 114.38 119.65 2ju5 h ARG 92 Ca 0.07 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2ju5 h ARG 92 Cb 0.95 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2ju5 h ARG 92 CO 0.09 0.70 0.15 1.96 -1.07 0.00 0.00 179.97 181.80 2ju5 h GLN 93 N 0.61 0.44 -0.64 0.04 1.08 -0.73 -1.64 115.11 114.28 2ju5 h GLN 93 Ca 0.15 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2ju5 h GLN 93 Cb 0.29 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2ju5 h GLN 93 CO -0.00 0.41 0.39 -0.22 -0.95 0.00 0.00 178.83 178.46 2ju5 h LYS 94 N 0.36 0.86 -0.72 1.46 3.64 -1.13 -1.29 116.57 119.76 2ju5 h LYS 94 Ca 0.11 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2ju5 h LYS 94 Cb 0.12 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2ju5 h LYS 94 CO -0.01 0.61 0.42 -0.91 -2.27 0.00 0.00 179.45 177.30 2ju5 h ASN 95 N 0.87 0.88 -0.45 4.20 -0.26 -0.78 -0.18 115.58 119.85 2ju5 h ASN 95 Ca 0.23 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.78 2ju5 h ASN 95 Cb -0.03 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 2ju5 h ASN 95 CO -0.04 0.70 -0.15 1.56 -1.06 0.00 0.00 177.43 178.43 2ju5 h GLN 96 N 0.99 0.94 -0.58 0.81 4.20 -0.98 -0.22 115.11 120.27 2ju5 h GLN 96 Ca 0.26 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2ju5 h GLN 96 Cb -0.01 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2ju5 h GLN 96 CO -0.05 1.02 0.16 0.93 -0.67 0.00 0.00 178.83 180.22 2ju5 h GLU 97 N 0.83 0.91 -0.56 1.46 4.39 -0.85 -2.07 114.58 118.69 2ju5 h GLU 97 Ca 0.12 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2ju5 h GLU 97 Cb 0.69 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2ju5 h GLU 97 CO 0.05 0.83 0.11 1.25 -1.16 0.00 0.00 179.01 180.09 2ju5 h LEU 98 N 0.82 0.86 -1.31 1.33 5.85 -0.81 0.21 115.31 122.26 2ju5 h LEU 98 Ca 0.18 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2ju5 h LEU 98 Cb 0.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2ju5 h LEU 98 CO -0.00 0.89 0.33 0.50 -0.34 0.00 0.00 178.44 179.81 2ju5 h LYS 99 N 0.80 0.80 0.16 1.25 3.64 -0.80 -2.04 116.57 120.38 2ju5 h LYS 99 Ca 0.17 -0.08 -0.30 0.00 -1.27 0.00 0.00 60.65 59.18 2ju5 h LYS 99 Cb 0.38 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2ju5 h LYS 99 CO 0.01 0.58 -1.36 0.00 -2.27 0.00 0.00 179.45 176.40 2ju5 h ALA 100 N 1.55 0.06 -0.27 5.00 0.00 -1.08 0.13 119.26 124.64 2ju5 h ALA 100 Ca 0.21 -0.92 0.03 0.00 0.00 0.00 0.00 54.91 54.23 2ju5 h ALA 100 Cb 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2ju5 h ALA 100 CO -0.04 0.93 0.08 0.37 0.00 0.00 0.00 179.25 180.59 2ju5 h GLN 101 N 0.09 0.19 -0.55 0.00 4.15 -0.02 -1.85 115.11 117.13 2ju5 h GLN 101 Ca -0.19 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2ju5 h GLN 101 Cb 2.03 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.68 2ju5 h GLN 101 CO 0.22 0.12 0.00 0.66 -1.93 0.00 0.00 178.83 177.90 2ju5 n TYR 102 N -5.05 0.80 -3.72 3.99 4.01 -0.82 -4.92 117.16 111.45 2ju5 n TYR 102 Ca -0.01 -0.33 -0.22 0.00 -0.16 0.00 0.00 57.90 57.18 2ju5 n TYR 102 Cb 0.10 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.63 -4.56 -3.06 -0.72 5.02 -0.70 -4.93 118.16 109.84 2ju5 n LYS 103 Ca 0.15 0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 2ju5 n LYS 103 Cb 0.52 -5.08 -0.05 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.69 5.01 0.00 -0.18 1.01 0.43 -4.90 120.40 118.09 2ju5 s VAL 104 Ca 0.03 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2ju5 s VAL 104 Cb -0.01 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2ju5 s VAL 104 CO 0.82 0.15 0.00 0.35 0.00 0.00 0.00 175.10 176.42 2ju5 n THR 105 N 4.36 0.00 -4.03 3.92 -2.24 -1.26 -4.78 114.28 110.25 2ju5 n THR 105 Ca -0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2ju5 n THR 105 Cb 0.50 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 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 -4.47 2.06 0.07 3.38 0.00 -1.26 -5.12 107.32 101.99 2ju5 s GLY 106 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.88 2ju5 s GLY 106 CO 0.00 -0.85 -0.19 -0.11 0.00 0.00 0.00 173.10 171.95 2ju5 s PHE 107 N -1.34 1.63 0.33 1.90 -0.12 -1.26 -3.94 117.98 115.18 2ju5 s PHE 107 Ca 0.28 -0.40 -0.26 0.00 -0.05 0.00 0.00 56.93 56.50 2ju5 s PHE 107 Cb -0.12 -0.93 -0.10 0.00 -0.63 0.00 0.00 43.02 41.24 2ju5 s PHE 107 CO 0.20 0.13 0.98 -1.25 -0.05 0.00 0.00 175.22 175.23 2ju5 s PRO 108 N -1.56 4.51 -0.03 1.99 0.04 -1.26 -4.78 135.00 133.90 2ju5 s PRO 108 Ca 0.05 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 2ju5 s PRO 108 Cb -0.09 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.69 2ju5 s PRO 108 CO 0.03 0.19 0.02 -2.00 0.04 0.00 0.00 177.00 175.28 2ju5 s GLU 109 N -2.08 0.11 -0.20 4.56 2.12 -1.13 -3.88 118.70 118.22 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 -0.21 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 33.80 2ju5 s GLU 109 CO 0.26 -0.17 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.52 2ju5 s LEU 110 N 1.17 2.53 -0.14 2.70 0.20 0.15 -2.31 118.68 122.97 2ju5 s LEU 110 Ca -0.08 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.23 2ju5 s LEU 110 Cb -0.13 -1.61 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2ju5 s LEU 110 CO -0.03 0.00 -0.12 0.68 -0.29 0.00 0.00 176.35 176.59 2ju5 s VAL 111 N 1.32 3.07 -0.24 1.68 -7.23 -1.20 -0.61 120.40 117.18 2ju5 s VAL 111 Ca 0.04 -0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 2ju5 s VAL 111 Cb -0.14 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2ju5 s VAL 111 CO -0.07 0.52 0.21 -0.36 -0.31 0.00 0.00 175.10 175.09 2ju5 s PHE 112 N 0.44 3.30 0.18 2.82 0.08 0.75 -2.49 117.98 123.07 2ju5 s PHE 112 Ca -0.09 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.28 2ju5 s PHE 112 Cb -0.16 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 2ju5 s PHE 112 CO 0.05 -0.01 -0.11 0.96 -0.10 0.00 0.00 175.22 176.01 2ju5 s ILE 113 N 1.29 1.39 0.63 0.64 -4.36 -0.47 -0.20 121.20 120.12 2ju5 s ILE 113 Ca 0.09 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2ju5 s ILE 113 Cb -0.14 -1.99 0.12 0.00 1.25 0.00 0.00 42.46 41.70 2ju5 s ILE 113 CO 0.06 -0.64 0.86 -0.67 0.24 0.00 0.00 174.94 174.80 2ju5 n ASP 114 N -0.30 1.25 0.08 4.36 2.03 -0.04 0.13 116.55 124.06 2ju5 n ASP 114 Ca -0.09 -2.04 0.10 0.00 0.52 0.00 0.00 54.79 53.29 2ju5 n ASP 114 Cb 0.61 -0.55 0.42 0.00 -0.72 0.00 0.00 41.12 40.88 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ju5 n ALA 115 N -2.87 1.69 1.11 -1.67 0.00 -1.26 -1.79 120.51 115.72 2ju5 n ALA 115 Ca -0.14 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2ju5 n ALA 115 Cb 0.52 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 18.82 2ju5 n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ju5 n GLU 116 N -1.95 2.06 -0.64 0.00 2.13 -1.26 -4.80 120.64 116.19 2ju5 n GLU 116 Ca 0.03 -1.62 0.00 0.00 0.66 0.00 0.00 57.16 56.23 2ju5 n GLU 116 Cb 0.22 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ju5 n GLY 117 N 1.32 0.65 3.78 8.31 0.00 -0.74 -5.04 105.19 113.46 2ju5 n GLY 117 Ca 0.15 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.80 4.56 -0.16 1.61 1.02 -1.26 -4.79 119.74 119.93 2ju5 s LYS 118 Ca 0.00 1.17 -0.24 0.00 0.02 0.00 0.00 55.97 56.92 2ju5 s LYS 118 Cb 0.00 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2ju5 s LYS 118 CO 0.00 0.52 0.76 -1.14 -0.92 0.00 0.00 175.35 174.57 2ju5 s GLN 119 N -1.32 4.30 -0.16 1.68 0.74 -1.26 -0.86 119.66 122.78 2ju5 s GLN 119 Ca 0.38 0.90 0.17 0.00 0.05 0.00 0.00 55.36 56.86 2ju5 s GLN 119 Cb -0.22 -3.55 -0.25 0.00 1.10 0.00 0.00 33.01 30.09 2ju5 s GLN 119 CO 0.26 -0.23 0.21 1.28 -0.55 0.00 0.00 175.29 176.26 2ju5 n LEU 120 N 4.92 0.21 -3.60 3.68 7.99 0.73 -4.98 117.00 125.94 2ju5 n LEU 120 Ca 0.02 0.10 0.01 0.00 -0.01 0.00 0.00 56.01 56.13 2ju5 n LEU 120 Cb 0.49 0.42 -0.01 0.00 -0.11 0.00 0.00 43.42 44.21 2ju5 n LEU 120 CO 0.47 0.47 1.13 0.00 -1.51 0.00 0.00 177.39 177.94 2ju5 s ALA 121 N -2.52 -2.29 -0.06 -1.18 0.00 -1.20 -4.71 121.76 109.80 2ju5 s ALA 121 Ca -0.09 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 2ju5 s ALA 121 Cb 0.07 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2ju5 s ALA 121 CO 0.83 -0.89 0.32 -0.98 0.00 0.00 0.00 175.76 175.04 2ju5 s ARG 122 N -2.23 0.57 0.08 0.00 1.70 -1.26 -0.17 118.95 117.64 2ju5 s ARG 122 Ca 0.13 0.06 -0.08 0.00 -0.47 0.00 0.00 55.73 55.37 2ju5 s ARG 122 Cb 0.04 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2ju5 s ARG 122 CO -0.05 -0.13 0.18 -1.64 -1.08 0.00 0.00 175.30 172.58 2ju5 s MET 123 N -0.76 0.82 0.00 3.89 -1.94 0.22 -5.00 119.30 116.52 2ju5 s MET 123 Ca -0.09 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 2ju5 s MET 123 Cb -0.04 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.13 2ju5 s MET 123 CO 0.03 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 2ju5 n GLY 124 N -0.03 5.16 3.69 -0.03 0.00 -1.26 0.29 105.19 113.01 2ju5 n GLY 124 Ca -0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 3.07 3.54 -0.09 1.61 5.36 -1.25 -4.88 117.98 125.34 2ju5 s PHE 125 Ca 0.00 1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 57.50 2ju5 s PHE 125 Cb 0.00 -3.14 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 2ju5 s PHE 125 CO 0.00 -0.17 0.08 -1.21 -1.46 0.00 0.00 175.22 172.46 2ju5 s GLU 126 N 1.75 -0.03 0.70 10.12 2.02 -1.26 -5.12 118.70 126.89 2ju5 s GLU 126 Ca 0.47 0.25 -0.16 0.00 0.02 0.00 0.00 54.97 55.55 2ju5 s GLU 126 Cb -0.19 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.13 2ju5 s GLU 126 CO 0.19 -0.44 0.90 -2.30 0.02 0.00 0.00 175.26 173.64 2ju5 n PRO 127 N 5.30 0.54 0.00 0.39 -0.02 -1.26 -4.25 135.00 135.69 2ju5 n PRO 127 Ca -0.04 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2ju5 n PRO 127 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.22 1.55 0.00 -1.23 0.00 -1.26 -4.97 105.19 100.50 2ju5 n GLY 128 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.11 0.23 -0.02 0.00 -1.26 -4.34 105.19 99.68 2ju5 n GLY 129 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 0.80 0.98 -0.02 0.00 -1.89 -2.63 103.07 100.30 2ju5 h GLY 130 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2ju5 h GLY 130 CO 0.00 0.48 0.25 0.00 0.00 0.00 0.00 176.54 177.27 2ju5 h ALA 131 N 0.96 0.56 -0.46 3.60 0.00 -1.92 -1.97 119.26 120.03 2ju5 h ALA 131 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2ju5 h ALA 131 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ju5 h ALA 131 CO 0.01 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.36 2ju5 h ALA 132 N 1.10 1.17 -0.53 0.00 0.00 -1.75 -2.85 119.26 116.41 2ju5 h ALA 132 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ju5 h ALA 132 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ju5 h ALA 132 CO -0.03 0.54 0.25 -0.92 0.00 0.00 0.00 179.25 179.10 2ju5 h TYR 133 N 0.71 0.76 -0.57 0.00 3.20 -1.06 -2.90 116.97 117.12 2ju5 h TYR 133 Ca 0.14 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2ju5 h TYR 133 Cb 0.40 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2ju5 h TYR 133 CO 0.02 0.59 0.07 -0.39 -1.64 0.00 0.00 178.16 176.81 2ju5 h VAL 134 N 0.70 1.25 -0.99 1.81 -1.51 -1.18 -2.17 116.25 114.17 2ju5 h VAL 134 Ca 0.18 -0.98 0.02 0.00 -1.23 0.00 0.00 66.70 64.69 2ju5 h VAL 134 Cb 0.12 0.74 -0.05 0.00 -2.13 0.00 0.00 31.29 29.97 2ju5 h VAL 134 CO -0.02 0.36 0.65 -1.28 -1.23 0.00 0.00 177.57 176.05 2ju5 h SER 135 N 0.87 1.12 -0.55 4.19 0.87 -1.33 -1.60 113.55 117.11 2ju5 h SER 135 Ca 0.17 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2ju5 h SER 135 Cb 0.42 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2ju5 h SER 135 CO 0.01 0.79 0.12 0.11 -0.53 0.00 0.00 176.83 177.34 2ju5 h LYS 136 N 1.31 0.89 -0.63 2.24 1.79 -1.25 -2.18 116.57 118.74 2ju5 h LYS 136 Ca 0.38 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 2ju5 h LYS 136 Cb -0.10 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2ju5 h LYS 136 CO -0.10 0.84 0.04 -0.24 -1.08 0.00 0.00 179.45 178.92 2ju5 h VAL 137 N 0.79 1.27 -0.66 0.50 3.04 -0.95 -2.15 116.25 118.08 2ju5 h VAL 137 Ca 0.17 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 2ju5 h VAL 137 Cb 0.36 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 2ju5 h VAL 137 CO 0.00 0.41 0.36 0.11 -1.01 0.00 0.00 177.57 177.45 2ju5 h LYS 138 N 1.01 0.92 -0.56 4.17 1.57 -1.11 -0.52 116.57 122.04 2ju5 h LYS 138 Ca 0.18 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2ju5 h LYS 138 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2ju5 h LYS 138 CO 0.03 0.69 -0.04 0.77 -0.57 0.00 0.00 179.45 180.32 2ju5 h SER 139 N 0.90 0.98 -0.27 0.86 0.02 -1.24 -1.23 113.55 113.58 2ju5 h SER 139 Ca 0.23 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 2ju5 h SER 139 Cb 0.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2ju5 h SER 139 CO -0.04 1.06 -0.22 0.00 -1.14 0.00 0.00 176.83 176.49 2ju5 h ALA 140 N 1.04 0.90 -0.01 3.77 0.00 -1.07 -3.00 119.26 120.89 2ju5 h ALA 140 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ju5 h ALA 140 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ju5 h ALA 140 CO 0.03 0.62 -0.16 1.28 0.00 0.00 0.00 179.25 181.03 2ju5 n LEU 141 N -4.11 1.21 -3.09 0.00 4.32 -0.23 -4.77 117.00 110.32 2ju5 n LEU 141 Ca 0.00 -0.35 -0.17 0.00 -0.02 0.00 0.00 56.01 55.47 2ju5 n LEU 141 Cb 0.43 -0.08 0.07 0.00 -1.62 0.00 0.00 43.42 42.23 2ju5 n LEU 141 CO 0.44 0.22 0.14 0.29 -1.22 0.00 0.00 177.39 177.26 2ju5 n LYS 142 N -0.33 -6.12 -3.53 3.23 4.76 -0.55 -4.99 118.16 110.64 2ju5 n LYS 142 Ca 0.15 0.71 -0.38 0.00 -2.87 0.00 0.00 58.31 55.92 2ju5 n LYS 142 Cb 0.35 -5.37 -0.09 0.00 -1.84 0.00 0.00 35.03 28.08 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ju5 s LEU 143 N -5.98 4.08 0.00 -0.35 1.02 -0.71 -5.06 118.68 111.68 2ju5 s LEU 143 Ca 0.21 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.57 2ju5 s LEU 143 Cb -0.09 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.85 2ju5 s LEU 143 CO 0.62 -0.05 0.00 -1.14 0.02 0.00 0.00 176.35 175.80