#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 0.92 -0.61 0.00 3.08 -2.01 -2.59 114.38 113.17 2ju5 h ARG 2 Ca 0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2ju5 h ARG 2 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2ju5 h ARG 2 CO 0.00 0.84 0.37 -0.09 -1.07 0.00 0.00 179.97 180.02 2ju5 h ARG 3 N 0.87 0.82 -0.72 0.04 2.43 -2.07 0.61 114.38 116.37 2ju5 h ARG 3 Ca 0.18 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2ju5 h ARG 3 Cb 0.36 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2ju5 h ARG 3 CO 0.00 0.58 0.19 0.00 -1.51 0.00 0.00 179.97 179.23 2ju5 h ARG 4 N 0.82 1.14 -0.45 0.20 3.08 -2.01 -2.60 114.38 114.56 2ju5 h ARG 4 Ca 0.22 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2ju5 h ARG 4 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2ju5 h ARG 4 CO -0.04 0.99 -0.09 0.00 -1.07 0.00 0.00 179.97 179.76 2ju5 h ALA 5 N 1.09 1.00 -2.46 0.04 0.00 -1.08 -3.43 119.26 114.42 2ju5 h ALA 5 Ca 0.23 -0.31 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 2ju5 h ALA 5 Cb 0.35 -0.18 0.12 0.00 0.00 0.00 0.00 17.79 18.09 2ju5 h ALA 5 CO -0.00 0.60 0.36 -1.12 0.00 0.00 0.00 179.25 179.09 2ju5 s SER 6 N -6.69 4.66 0.00 0.00 0.01 0.17 -5.01 113.70 106.85 2ju5 s SER 6 Ca -0.09 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.22 2ju5 s SER 6 Cb 0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2ju5 s SER 6 CO 0.82 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 173.15 2ju5 n GLY 7 N -0.41 1.02 3.37 3.44 0.00 -1.26 -4.94 105.19 106.40 2ju5 n GLY 7 Ca 0.11 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 2ju5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ju5 n GLU 8 N 0.00 -2.55 -1.91 1.61 1.02 -1.26 -4.91 120.64 112.64 2ju5 n GLU 8 Ca 0.00 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.51 2ju5 n GLU 8 Cb 0.00 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 25.92 2ju5 n GLU 8 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2ju5 s ASN 9 N -3.53 6.50 0.19 1.62 3.84 -1.26 -4.91 114.94 117.38 2ju5 s ASN 9 Ca 0.40 2.88 -0.10 0.00 0.21 0.00 0.00 52.86 56.25 2ju5 s ASN 9 Cb -0.07 -2.65 0.10 0.00 -0.55 0.00 0.00 41.25 38.08 2ju5 s ASN 9 CO 0.77 -0.77 1.74 -0.07 -2.79 0.00 0.00 177.10 175.97 2ju5 h LEU 10 N 3.84 0.93 -9.27 3.21 3.38 -2.07 -3.41 115.31 111.92 2ju5 h LEU 10 Ca -0.49 -0.18 -0.55 0.00 0.09 0.00 0.00 57.88 56.75 2ju5 h LEU 10 Cb 1.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2ju5 h LEU 10 CO 0.70 0.86 0.90 -1.10 0.09 0.00 0.00 178.44 179.90 2ju5 s GLN 11 N -5.52 4.25 0.20 1.13 -0.21 -1.26 -5.00 119.66 113.25 2ju5 s GLN 11 Ca -0.13 1.90 -0.27 0.00 0.02 0.00 0.00 55.36 56.89 2ju5 s GLN 11 Cb 0.14 -3.73 -0.08 0.00 1.00 0.00 0.00 33.01 30.33 2ju5 s GLN 11 CO 0.81 -0.67 0.84 -0.65 -2.12 0.00 0.00 175.29 173.50 2ju5 s GLN 12 N 3.11 4.65 0.13 2.91 -0.21 -1.26 -5.07 119.66 123.93 2ju5 s GLN 12 Ca 0.63 1.26 0.06 0.00 0.02 0.00 0.00 55.36 57.33 2ju5 s GLN 12 Cb -0.28 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 2ju5 s GLN 12 CO 0.23 0.53 -0.13 0.95 -2.12 0.00 0.00 175.29 174.75 2ju5 s THR 13 N -1.20 1.31 -0.68 -0.19 -4.23 -1.26 -4.92 115.64 104.47 2ju5 s THR 13 Ca 0.39 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 2ju5 s THR 13 Cb -0.24 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2ju5 s THR 13 CO 0.28 -0.50 0.68 -1.14 -0.54 0.00 0.00 174.62 173.40 2ju5 n ARG 14 N 0.33 -1.53 -0.24 3.99 0.63 -1.26 -4.82 116.66 113.75 2ju5 n ARG 14 Ca -0.14 1.58 0.12 0.00 -0.92 0.00 0.00 57.85 58.50 2ju5 n ARG 14 Cb 0.58 -5.59 0.40 0.00 0.45 0.00 0.00 32.46 28.31 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2ju5 h PRO 15 N 0.72 0.62 -0.55 -0.14 0.11 -2.05 0.04 132.00 130.76 2ju5 h PRO 15 Ca -0.03 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2ju5 h PRO 15 Cb 1.02 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2ju5 h PRO 15 CO 0.28 0.41 0.20 0.82 -0.21 0.00 0.00 178.00 179.50 2ju5 h ILE 16 N 0.63 1.23 0.00 4.15 2.04 -2.04 -3.46 117.51 120.06 2ju5 h ILE 16 Ca 0.43 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2ju5 h ILE 16 Cb 0.73 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2ju5 h ILE 16 CO -0.18 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2ju5 n ALA 17 N -2.36 0.00 -3.13 1.87 0.00 -0.00 -4.71 120.51 112.17 2ju5 n ALA 17 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2ju5 n ALA 17 Cb 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 s ALA 18 N -1.06 -0.84 0.10 0.00 0.00 -1.26 -5.03 121.76 113.67 2ju5 s ALA 18 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.24 2ju5 s ALA 18 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2ju5 s ALA 18 CO 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 175.76 175.25 2ju5 s ALA 19 N -2.12 1.36 0.93 0.00 0.00 -1.26 -5.13 121.76 115.54 2ju5 s ALA 19 Ca -0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 2ju5 s ALA 19 Cb -0.02 -0.07 0.15 0.00 0.00 0.00 0.00 23.12 23.18 2ju5 s ALA 19 CO -0.00 0.11 1.09 -0.80 0.00 0.00 0.00 175.76 176.16 2ju5 s ASN 20 N -2.22 3.04 0.20 0.00 0.02 -1.26 -4.68 114.94 110.05 2ju5 s ASN 20 Ca 0.05 1.68 -0.30 0.00 -1.02 0.00 0.00 52.86 53.27 2ju5 s ASN 20 Cb -0.06 -2.32 -0.08 0.00 0.02 0.00 0.00 41.25 38.81 2ju5 s ASN 20 CO 0.02 -2.94 1.04 -0.22 0.02 0.00 0.00 177.10 175.03 2ju5 s LEU 21 N -6.44 4.54 -0.41 0.60 2.96 -1.26 -5.01 118.68 113.66 2ju5 s LEU 21 Ca 0.65 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 56.49 2ju5 s LEU 21 Cb -0.20 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.93 2ju5 s LEU 21 CO 0.58 -0.09 0.26 -1.10 -1.32 0.00 0.00 176.35 174.69 2ju5 s GLN 22 N -0.74 2.83 0.23 1.98 -1.52 -1.26 -5.07 119.66 116.10 2ju5 s GLN 22 Ca 0.46 -1.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 2ju5 s GLN 22 Cb -0.28 -3.85 -0.09 0.00 -0.22 0.00 0.00 33.01 28.57 2ju5 s GLN 22 CO 0.35 -0.81 0.99 -1.58 -0.25 0.00 0.00 175.29 173.98 2ju5 s TRP 23 N 1.56 3.86 0.31 0.91 0.51 -1.26 -4.52 118.94 120.30 2ju5 s TRP 23 Ca 0.03 1.84 0.09 0.00 -2.12 0.00 0.00 56.10 55.93 2ju5 s TRP 23 Cb -0.21 -3.07 -0.06 0.00 -0.81 0.00 0.00 33.47 29.32 2ju5 s TRP 23 CO 0.06 0.15 -0.10 -1.21 -0.51 0.00 0.00 176.95 175.34 2ju5 s GLU 24 N -1.04 1.68 0.54 4.98 2.02 -0.47 -5.05 118.70 121.36 2ju5 s GLU 24 Ca 0.43 -1.85 -0.09 0.00 0.02 0.00 0.00 54.97 53.48 2ju5 s GLU 24 Cb -0.27 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 2ju5 s GLU 24 CO 0.34 0.13 0.91 -1.12 0.02 0.00 0.00 175.26 175.54 2ju5 s SER 25 N -3.52 6.31 0.20 -0.19 0.01 -1.26 -4.33 113.70 110.91 2ju5 s SER 25 Ca 0.31 1.23 -0.11 0.00 1.31 0.00 0.00 55.95 58.68 2ju5 s SER 25 Cb 0.02 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 64.02 2ju5 s SER 25 CO 0.14 -0.69 1.85 0.22 0.41 0.00 0.00 173.24 175.17 2ju5 h TYR 26 N 0.15 0.81 -0.40 2.43 3.20 -1.95 0.91 116.97 122.11 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 1.19 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2ju5 h TYR 26 CO 0.63 0.49 -0.28 0.00 -1.64 0.00 0.00 178.16 177.35 2ju5 h ALA 27 N 1.27 0.74 -0.31 1.82 0.00 -2.00 -2.82 119.26 117.95 2ju5 h ALA 27 Ca 0.26 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2ju5 h ALA 27 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ju5 h ALA 27 CO -0.08 0.66 -0.47 0.93 0.00 0.00 0.00 179.25 180.29 2ju5 h GLU 28 N 0.74 0.83 -0.31 0.00 4.39 -1.74 -2.79 114.58 115.70 2ju5 h GLU 28 Ca 0.09 -0.48 0.04 0.00 0.34 0.00 0.00 59.36 59.34 2ju5 h GLU 28 Cb 0.84 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 2ju5 h GLU 28 CO 0.07 1.11 0.10 0.00 -1.16 0.00 0.00 179.01 179.13 2ju5 h ALA 29 N 0.80 0.35 -0.68 3.43 0.00 0.94 -1.36 119.26 122.74 2ju5 h ALA 29 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2ju5 h ALA 29 Cb 1.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2ju5 h ALA 29 CO 0.11 -0.30 0.12 -0.07 0.00 0.00 0.00 179.25 179.11 2ju5 h LEU 30 N 0.23 1.07 -0.45 0.00 3.38 -1.52 -0.17 115.31 117.85 2ju5 h LEU 30 Ca 0.14 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2ju5 h LEU 30 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2ju5 h LEU 30 CO -0.15 1.05 0.21 -0.33 0.09 0.00 0.00 178.44 179.31 2ju5 h GLU 31 N 1.05 0.41 -0.33 1.13 5.08 -1.15 0.37 114.58 121.14 2ju5 h GLU 31 Ca 0.21 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2ju5 h GLU 31 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ju5 h GLU 31 CO 0.01 0.27 -0.16 0.45 -1.00 0.00 0.00 179.01 178.58 2ju5 h HIS 32 N 0.42 0.80 -0.52 4.33 3.86 -0.98 -3.10 115.15 119.97 2ju5 h HIS 32 Ca 0.20 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2ju5 h HIS 32 Cb 0.13 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2ju5 h HIS 32 CO -0.11 0.90 0.19 0.77 0.86 0.00 0.00 177.93 180.54 2ju5 h SER 33 N 0.47 0.68 -0.19 2.45 0.02 -0.34 1.89 113.55 118.52 2ju5 h SER 33 Ca 0.07 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2ju5 h SER 33 Cb 0.69 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2ju5 h SER 33 CO 0.05 0.63 0.13 0.11 -1.14 0.00 0.00 176.83 176.60 2ju5 h LYS 34 N 0.74 0.15 0.04 3.45 1.57 -0.23 1.90 116.57 124.20 2ju5 h LYS 34 Ca 0.18 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.57 2ju5 h LYS 34 Cb 0.17 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2ju5 h LYS 34 CO -0.01 0.10 -2.20 1.04 -0.57 0.00 0.00 179.45 177.81 2ju5 n GLN 35 N -4.50 0.66 0.04 3.15 6.02 -0.18 -4.56 117.38 118.01 2ju5 n GLN 35 Ca 0.01 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 2ju5 n GLN 35 Cb 0.16 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.78 2ju5 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ju5 n ASP 36 N -3.63 0.53 -0.34 1.08 8.00 0.63 -4.98 116.55 117.83 2ju5 n ASP 36 Ca -0.42 -0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.02 2ju5 n ASP 36 Cb 0.95 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 43.04 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 -2.24 0.00 -2.98 1.24 8.25 0.64 -4.97 115.22 115.17 2ju5 n HIS 37 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2ju5 n HIS 37 Cb 0.50 -1.49 -0.06 0.00 1.12 0.00 0.00 29.99 30.06 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 -1.82 4.32 0.64 -0.41 1.02 -1.26 -4.86 119.74 117.37 2ju5 s LYS 38 Ca 0.00 1.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.84 2ju5 s LYS 38 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2ju5 s LYS 38 CO 0.00 0.29 1.13 -1.25 -0.92 0.00 0.00 175.35 174.60 2ju5 s PRO 39 N -2.22 2.86 -0.14 -1.68 0.04 -1.26 -4.59 135.00 128.01 2ju5 s PRO 39 Ca 0.48 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 2ju5 s PRO 39 Cb -0.16 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2ju5 s PRO 39 CO 0.21 -1.22 -0.07 0.42 0.04 0.00 0.00 177.00 176.38 2ju5 s ILE 40 N -2.16 3.62 -0.29 0.56 1.01 0.27 -2.07 121.20 122.14 2ju5 s ILE 40 Ca 0.69 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 2ju5 s ILE 40 Cb -0.22 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 2ju5 s ILE 40 CO 0.38 0.52 0.10 -0.83 0.00 0.00 0.00 174.94 175.11 2ju5 s GLY 41 N 0.20 1.80 -0.27 6.18 0.00 -0.29 -1.28 107.32 113.67 2ju5 s GLY 41 Ca -0.04 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 2ju5 s GLY 41 CO 0.04 0.63 0.36 1.08 0.00 0.00 0.00 173.10 175.21 2ju5 s LEU 42 N 1.56 4.04 -0.50 0.66 1.02 -0.91 -0.94 118.68 123.60 2ju5 s LEU 42 Ca 0.04 0.27 -0.19 0.00 0.02 0.00 0.00 54.13 54.27 2ju5 s LEU 42 Cb -0.17 -2.40 0.05 0.00 0.02 0.00 0.00 46.19 43.69 2ju5 s LEU 42 CO 0.04 -0.17 0.63 0.12 0.02 0.00 0.00 176.35 176.99 2ju5 s PHE 43 N 2.02 3.05 -0.24 0.29 5.36 -0.21 -2.93 117.98 125.31 2ju5 s PHE 43 Ca 0.14 -0.47 -0.15 0.00 -0.96 0.00 0.00 56.93 55.49 2ju5 s PHE 43 Cb -0.16 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 38.97 2ju5 s PHE 43 CO 0.10 -1.02 0.39 -0.06 -1.46 0.00 0.00 175.22 173.17 2ju5 s PHE 44 N 2.67 3.29 0.25 10.12 0.08 -0.81 -0.74 117.98 132.84 2ju5 s PHE 44 Ca 0.16 0.49 -0.06 0.00 0.12 0.00 0.00 56.93 57.64 2ju5 s PHE 44 Cb -0.18 -2.56 0.03 0.00 -0.57 0.00 0.00 43.02 39.74 2ju5 s PHE 44 CO 0.13 -0.14 0.44 0.25 -0.10 0.00 0.00 175.22 175.80 2ju5 n THR 45 N 4.81 0.00 -3.66 0.64 -2.24 -0.94 -2.57 114.28 110.32 2ju5 n THR 45 Ca -0.08 -0.86 -0.29 0.00 -2.27 0.00 0.00 64.05 60.55 2ju5 n THR 45 Cb 0.51 0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.39 1.56 0.40 3.38 0.00 -1.26 0.08 107.32 109.09 2ju5 s GLY 46 Ca 0.14 -2.52 0.14 0.00 0.00 0.00 0.00 44.72 42.48 2ju5 s GLY 46 CO 0.10 1.64 1.89 0.23 0.00 0.00 0.00 173.10 176.96 2ju5 h SER 47 N 6.66 0.49 -0.01 1.64 0.87 -1.88 -1.05 113.55 120.26 2ju5 h SER 47 Ca 0.02 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2ju5 h SER 47 Cb 0.93 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2ju5 h SER 47 CO 0.45 0.24 -0.44 0.47 -0.53 0.00 0.00 176.83 177.02 2ju5 n ASP 48 N -4.51 1.69 0.00 6.23 8.00 -1.26 -4.73 116.55 121.97 2ju5 n ASP 48 Ca 0.16 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2ju5 n ASP 48 Cb 0.54 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 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 -0.23 0.00 -3.24 1.24 4.27 -1.11 -4.89 117.44 113.49 2ju5 n TRP 49 Ca 0.07 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.24 2ju5 n TRP 49 Cb 0.38 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.26 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 8.89 0.94 -0.11 0.00 4.05 -1.95 -2.43 114.93 124.33 2ju5 h MET 51 Ca -0.28 -0.42 -0.03 0.00 -0.28 0.00 0.00 59.70 58.70 2ju5 h MET 51 Cb 1.10 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 2ju5 h MET 51 CO 0.92 1.08 -0.07 -1.49 0.23 0.00 0.00 176.91 177.57 2ju5 h TRP 52 N 0.80 0.16 -0.37 1.39 6.55 -1.93 -0.88 115.95 121.67 2ju5 h TRP 52 Ca 0.10 -0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.79 2ju5 h TRP 52 Cb 0.82 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 29.07 2ju5 h TRP 52 CO 0.05 0.23 -0.30 0.00 -1.05 0.00 0.00 178.44 177.37 2ju5 h ILE 54 N 0.66 1.18 -0.54 0.00 2.04 -0.79 0.36 117.51 120.42 2ju5 h ILE 54 Ca 0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2ju5 h ILE 54 Cb 0.88 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2ju5 h ILE 54 CO 0.08 0.17 0.33 0.11 0.00 0.00 0.00 178.15 178.84 2ju5 h LYS 55 N 0.96 0.73 -0.59 2.37 1.79 -0.85 0.57 116.57 121.55 2ju5 h LYS 55 Ca 0.26 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2ju5 h LYS 55 Cb -0.11 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.36 2ju5 h LYS 55 CO -0.06 0.52 0.31 1.98 -1.08 0.00 0.00 179.45 181.12 2ju5 h MET 56 N 0.73 0.83 0.09 3.15 4.05 -0.40 0.60 114.93 123.98 2ju5 h MET 56 Ca 0.19 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2ju5 h MET 56 Cb -0.02 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 2ju5 h MET 56 CO -0.04 0.65 -0.05 1.96 0.23 0.00 0.00 176.91 179.67 2ju5 h GLN 57 N 0.80 -0.12 -0.46 0.39 4.20 -0.42 0.17 115.11 119.65 2ju5 h GLN 57 Ca 0.20 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 2ju5 h GLN 57 Cb 0.08 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2ju5 h GLN 57 CO -0.03 0.09 -0.19 0.22 -0.67 0.00 0.00 178.83 178.25 2ju5 h ASP 58 N -0.32 0.97 0.59 1.46 1.82 0.33 0.63 116.42 121.90 2ju5 h ASP 58 Ca -0.01 -0.39 -0.21 0.00 -0.39 0.00 0.00 57.03 56.03 2ju5 h ASP 58 Cb 0.27 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 2ju5 h ASP 58 CO 0.02 1.14 -1.56 0.00 -1.61 0.00 0.00 179.24 177.24 2ju5 n GLN 59 N -4.16 0.63 0.01 0.28 6.02 0.21 -4.41 117.38 115.94 2ju5 n GLN 59 Ca -0.00 0.22 -0.03 0.00 -0.01 0.00 0.00 57.00 57.18 2ju5 n GLN 59 Cb 0.44 -1.78 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.91 0.89 -0.31 5.09 5.41 0.52 -3.69 119.36 124.36 2ju5 n ILE 60 Ca -0.13 0.19 -0.05 0.00 1.00 0.00 0.00 62.75 63.77 2ju5 n ILE 60 Cb 0.91 -1.66 0.08 0.00 -0.71 0.00 0.00 39.64 38.25 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 -0.18 1.12 -1.16 1.39 -0.00 -1.32 -2.30 115.31 112.86 2ju5 h LEU 61 Ca -0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2ju5 h LEU 61 Cb 0.54 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2ju5 h LEU 61 CO -0.03 0.95 0.00 0.00 -0.00 0.00 0.00 178.44 179.36 2ju5 n GLN 62 N -4.30 1.75 -2.60 1.13 6.02 0.21 -4.37 117.38 115.22 2ju5 n GLN 62 Ca 0.08 -1.14 -0.33 0.00 -0.01 0.00 0.00 57.00 55.61 2ju5 n GLN 62 Cb 0.15 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.41 6.71 0.18 1.08 1.04 -0.87 -4.92 113.70 115.51 2ju5 s SER 63 Ca 0.30 1.68 -0.14 0.00 0.48 0.00 0.00 55.95 58.27 2ju5 s SER 63 Cb 0.16 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.82 2ju5 s SER 63 CO 0.23 -0.53 1.84 0.28 0.98 0.00 0.00 173.24 176.05 2ju5 h SER 64 N 1.44 0.63 -0.61 7.02 0.02 -1.91 -0.66 113.55 119.49 2ju5 h SER 64 Ca -0.48 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 2ju5 h SER 64 Cb 1.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2ju5 h SER 64 CO 0.61 0.46 0.24 -0.33 -1.14 0.00 0.00 176.83 176.67 2ju5 h GLU 65 N 0.75 0.91 -0.52 3.45 4.39 -1.91 -1.11 114.58 120.54 2ju5 h GLU 65 Ca 0.20 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2ju5 h GLU 65 Cb -0.08 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2ju5 h GLU 65 CO -0.04 0.78 0.16 0.35 -1.16 0.00 0.00 179.01 179.10 2ju5 h PHE 66 N 0.85 0.84 -0.37 4.33 3.04 -1.72 -1.10 116.94 122.80 2ju5 h PHE 66 Ca 0.20 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2ju5 h PHE 66 Cb 0.21 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2ju5 h PHE 66 CO 0.01 0.72 0.24 0.87 -2.02 0.00 0.00 178.31 178.14 2ju5 h LYS 67 N 0.71 0.49 -0.21 1.11 1.57 -0.82 0.41 116.57 119.83 2ju5 h LYS 67 Ca 0.17 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2ju5 h LYS 67 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2ju5 h LYS 67 CO -0.00 0.32 -0.03 1.25 -0.57 0.00 0.00 179.45 180.42 2ju5 h HIS 68 N 0.50 0.43 -0.02 -1.35 2.76 -1.07 -0.24 115.15 116.15 2ju5 h HIS 68 Ca 0.14 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2ju5 h HIS 68 Cb -0.06 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 2ju5 h HIS 68 CO -0.05 0.60 0.01 0.35 -1.30 0.00 0.00 177.93 177.54 2ju5 h PHE 69 N 0.12 0.03 -0.19 5.26 3.57 -1.07 -2.71 116.94 121.95 2ju5 h PHE 69 Ca 0.06 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 2ju5 h PHE 69 Cb 0.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ju5 h PHE 69 CO 0.04 0.10 -0.46 0.00 -2.23 0.00 0.00 178.31 175.76 2ju5 h ALA 70 N 0.93 0.84 -0.45 2.41 0.00 -0.93 0.16 119.26 122.22 2ju5 h ALA 70 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2ju5 h ALA 70 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ju5 h ALA 70 CO -0.00 0.66 0.09 0.78 0.00 0.00 0.00 179.25 180.77 2ju5 h GLY 71 N 1.12 0.73 0.50 0.00 0.00 -0.99 0.92 103.07 105.36 2ju5 h GLY 71 Ca 0.02 -0.42 -0.29 0.00 0.00 0.00 0.00 47.33 46.65 2ju5 h GLY 71 CO 0.08 0.39 -1.53 -2.08 0.00 0.00 0.00 176.54 173.41 2ju5 h VAL 72 N 0.66 0.93 -0.01 4.60 2.07 -1.36 -3.42 116.25 119.72 2ju5 h VAL 72 Ca 0.15 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2ju5 h VAL 72 Cb 0.28 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2ju5 h VAL 72 CO 0.00 0.70 -0.36 1.41 0.02 0.00 0.00 177.57 179.34 2ju5 n HIS 73 N -3.89 0.00 -4.20 1.57 -0.00 0.56 -5.07 115.22 104.20 2ju5 n HIS 73 Ca -0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.33 2ju5 n HIS 73 Cb 0.91 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.80 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 -2.03 1.95 -0.21 2.41 1.02 0.31 -4.45 118.68 117.69 2ju5 s LEU 74 Ca 0.10 -1.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.02 2ju5 s LEU 74 Cb 0.11 0.11 -0.00 0.00 0.02 0.00 0.00 46.19 46.42 2ju5 s LEU 74 CO 0.39 -0.65 -0.07 -1.00 0.02 0.00 0.00 176.35 175.04 2ju5 s HIS 75 N -3.84 2.93 -0.10 0.29 3.76 -0.88 -4.57 115.29 112.89 2ju5 s HIS 75 Ca 0.24 -1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.10 2ju5 s HIS 75 Cb 0.07 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 2ju5 s HIS 75 CO 0.03 -0.57 0.03 -1.64 -0.85 0.00 0.00 174.74 171.74 2ju5 s MET 76 N 1.39 3.10 -0.06 1.40 -1.94 -1.26 -1.13 119.30 120.80 2ju5 s MET 76 Ca 0.05 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 2ju5 s MET 76 Cb -0.14 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 33.82 2ju5 s MET 76 CO -0.04 0.70 -0.15 0.08 -0.01 0.00 0.00 175.02 175.60 2ju5 s VAL 77 N -0.87 1.29 -0.20 -6.03 1.01 -0.12 -1.37 120.40 114.11 2ju5 s VAL 77 Ca 0.13 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 2ju5 s VAL 77 Cb -0.11 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2ju5 s VAL 77 CO 0.03 0.38 0.25 -0.70 0.00 0.00 0.00 175.10 175.06 2ju5 s GLU 78 N 0.39 4.16 -0.35 2.72 2.12 -1.26 -1.04 118.70 125.44 2ju5 s GLU 78 Ca -0.11 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2ju5 s GLU 78 Cb -0.14 -3.49 0.11 0.00 0.26 0.00 0.00 34.13 30.87 2ju5 s GLU 78 CO 0.03 0.11 0.14 0.08 -0.54 0.00 0.00 175.26 175.09 2ju5 s VAL 79 N 0.89 1.11 0.04 3.70 1.01 0.08 -4.90 120.40 122.33 2ju5 s VAL 79 Ca 0.13 -1.83 0.02 0.00 0.00 0.00 0.00 61.98 60.30 2ju5 s VAL 79 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2ju5 s VAL 79 CO 0.04 -0.75 0.04 1.51 0.00 0.00 0.00 175.10 175.94 2ju5 s ASP 80 N 1.16 5.32 -0.61 3.32 -4.77 -1.26 -2.22 116.67 117.61 2ju5 s ASP 80 Ca 0.13 -0.02 0.05 0.00 -3.30 0.00 0.00 52.55 49.41 2ju5 s ASP 80 Cb -0.20 -1.40 0.20 0.00 -1.09 0.00 0.00 42.92 40.43 2ju5 s ASP 80 CO -0.15 0.22 0.54 0.49 0.70 0.00 0.00 175.17 176.97 2ju5 n PHE 81 N 0.87 2.30 -1.66 2.11 3.01 0.11 -4.94 117.46 119.27 2ju5 n PHE 81 Ca -0.11 -4.03 -0.31 0.00 1.01 0.00 0.00 57.45 54.01 2ju5 n PHE 81 Cb 0.52 -0.43 0.04 0.00 -0.01 0.00 0.00 39.48 39.60 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 -1.47 3.02 0.09 -1.08 0.04 -1.26 -4.42 135.00 129.92 2ju5 s PRO 82 Ca 0.32 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 2ju5 s PRO 82 Cb 0.05 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2ju5 s PRO 82 CO -0.12 -1.01 1.30 -0.56 0.04 0.00 0.00 177.00 176.65 2ju5 h GLN 83 N -0.65 0.74 -4.10 4.56 3.07 -1.95 -3.37 115.11 113.41 2ju5 h GLN 83 Ca -0.44 -0.58 -0.76 0.00 0.09 0.00 0.00 58.65 56.96 2ju5 h GLN 83 Cb 1.21 0.11 -0.24 0.00 0.08 0.00 0.00 27.48 28.64 2ju5 h GLN 83 CO 0.59 1.19 -0.15 0.21 0.09 0.00 0.00 178.83 180.76 2ju5 s LYS 84 N -3.81 3.07 -0.07 0.06 2.20 -1.26 -5.04 119.74 114.90 2ju5 s LYS 84 Ca -0.11 -1.78 -0.20 0.00 -0.36 0.00 0.00 55.97 53.52 2ju5 s LYS 84 Cb 0.08 -4.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 2ju5 s LYS 84 CO 0.88 -1.34 0.58 -0.80 -0.36 0.00 0.00 175.35 174.31 2ju5 s ASN 85 N 3.42 6.87 -0.00 1.43 0.01 -1.26 -4.93 114.94 120.48 2ju5 s ASN 85 Ca 0.06 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 2ju5 s ASN 85 Cb -0.27 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2ju5 s ASN 85 CO 0.02 -0.00 0.79 1.41 -1.51 0.00 0.00 177.10 177.81 2ju5 n HIS 86 N 3.41 0.00 -2.86 2.20 8.25 -1.26 -5.10 115.22 119.86 2ju5 n HIS 86 Ca -0.05 -0.04 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 2ju5 n HIS 86 Cb 0.51 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.09 4.49 0.61 -0.41 -0.21 -1.26 -5.02 119.66 117.77 2ju5 s GLN 87 Ca 0.01 1.21 -0.18 0.00 0.02 0.00 0.00 55.36 56.42 2ju5 s GLN 87 Cb 0.01 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2ju5 s GLN 87 CO 0.00 0.30 1.06 -2.30 -2.12 0.00 0.00 175.29 172.23 2ju5 n PRO 88 N 0.56 0.98 -0.20 2.91 -0.02 -1.26 -4.68 135.00 133.29 2ju5 n PRO 88 Ca 0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ju5 n PRO 88 Cb 0.50 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 2ju5 n PRO 88 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ju5 h GLU 89 N 0.54 0.13 -0.87 -0.52 4.81 -1.99 -0.54 114.58 116.13 2ju5 h GLU 89 Ca -0.49 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2ju5 h GLU 89 Cb 1.36 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 2ju5 h GLU 89 CO 0.52 0.09 0.57 0.93 -0.73 0.00 0.00 179.01 180.39 2ju5 h GLU 90 N 0.14 1.05 -0.40 1.92 4.39 -2.00 -0.50 114.58 119.18 2ju5 h GLU 90 Ca 0.31 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.80 2ju5 h GLU 90 Cb 0.49 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2ju5 h GLU 90 CO -0.49 0.70 -0.34 0.37 -1.16 0.00 0.00 179.01 178.08 2ju5 h GLN 91 N 1.08 0.92 -0.49 2.33 4.15 -1.50 -2.26 115.11 119.34 2ju5 h GLN 91 Ca 0.35 -0.46 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 2ju5 h GLN 91 Cb 0.03 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2ju5 h GLN 91 CO -0.10 1.11 -0.06 0.00 -1.93 0.00 0.00 178.83 177.85 2ju5 h ARG 92 N 0.77 0.91 -0.29 1.69 3.08 -0.46 -0.35 114.38 119.72 2ju5 h ARG 92 Ca 0.07 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2ju5 h ARG 92 Cb 0.92 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2ju5 h ARG 92 CO 0.09 0.97 0.15 1.96 -1.07 0.00 0.00 179.97 182.07 2ju5 h GLN 93 N 0.77 0.41 -0.47 0.04 4.20 -1.06 -0.62 115.11 118.38 2ju5 h GLN 93 Ca 0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2ju5 h GLN 93 Cb 0.60 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2ju5 h GLN 93 CO 0.04 0.37 0.25 -0.22 -0.67 0.00 0.00 178.83 178.60 2ju5 h LYS 94 N 0.35 0.66 -0.74 1.46 3.64 -1.31 -1.36 116.57 119.26 2ju5 h LYS 94 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2ju5 h LYS 94 Cb 0.08 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2ju5 h LYS 94 CO -0.02 0.53 0.48 -0.91 -2.27 0.00 0.00 179.45 177.26 2ju5 h ASN 95 N 0.62 0.86 -0.43 4.20 -0.26 -0.77 -0.39 115.58 119.41 2ju5 h ASN 95 Ca 0.16 -0.03 -0.10 0.00 -0.56 0.00 0.00 56.30 55.77 2ju5 h ASN 95 Cb 0.06 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 2ju5 h ASN 95 CO -0.03 0.63 -0.12 1.56 -1.06 0.00 0.00 177.43 178.42 2ju5 h GLN 96 N 1.00 0.89 -0.61 0.81 4.20 -0.87 -1.17 115.11 119.37 2ju5 h GLN 96 Ca 0.27 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2ju5 h GLN 96 Cb -0.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2ju5 h GLN 96 CO -0.06 0.96 0.23 1.49 -0.67 0.00 0.00 178.83 180.78 2ju5 h GLU 97 N 0.80 0.92 -0.60 1.46 4.81 -0.72 -2.09 114.58 119.16 2ju5 h GLU 97 Ca 0.13 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2ju5 h GLU 97 Cb 0.64 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2ju5 h GLU 97 CO 0.04 0.79 0.03 1.25 -0.73 0.00 0.00 179.01 180.39 2ju5 h LEU 98 N 0.85 1.02 -1.05 1.64 5.85 -0.86 0.21 115.31 122.97 2ju5 h LEU 98 Ca 0.20 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2ju5 h LEU 98 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2ju5 h LEU 98 CO -0.01 1.06 0.44 0.50 -0.34 0.00 0.00 178.44 180.08 2ju5 h LYS 99 N 0.95 1.10 0.11 1.25 3.64 -0.97 -2.03 116.57 120.62 2ju5 h LYS 99 Ca 0.18 -0.12 -0.28 0.00 -1.27 0.00 0.00 60.65 59.15 2ju5 h LYS 99 Cb 0.52 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2ju5 h LYS 99 CO 0.02 0.81 -1.20 0.00 -2.27 0.00 0.00 179.45 176.81 2ju5 h ALA 100 N 1.37 0.10 -0.38 5.00 0.00 -1.14 0.73 119.26 124.94 2ju5 h ALA 100 Ca 0.28 -0.81 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2ju5 h ALA 100 Cb 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2ju5 h ALA 100 CO -0.05 0.82 0.16 0.37 0.00 0.00 0.00 179.25 180.55 2ju5 h GLN 101 N 0.18 0.33 -0.60 0.00 4.15 -0.11 -1.85 115.11 117.21 2ju5 h GLN 101 Ca -0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2ju5 h GLN 101 Cb 1.89 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.50 2ju5 h GLN 101 CO 0.21 0.22 0.00 0.66 -1.93 0.00 0.00 178.83 177.99 2ju5 n TYR 102 N -4.97 1.00 -3.75 3.99 4.01 -0.81 -4.92 117.16 111.72 2ju5 n TYR 102 Ca 0.01 -0.40 -0.22 0.00 -0.16 0.00 0.00 57.90 57.13 2ju5 n TYR 102 Cb 0.11 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.70 -4.40 -3.12 -0.72 5.02 -0.70 -4.92 118.16 110.02 2ju5 n LYS 103 Ca 0.17 0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 2ju5 n LYS 103 Cb 0.63 -5.01 -0.06 0.00 -0.02 0.00 0.00 35.03 30.57 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 -3.72 5.03 0.00 -0.18 1.01 0.24 -4.90 120.40 117.88 2ju5 s VAL 104 Ca 0.02 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2ju5 s VAL 104 Cb -0.01 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2ju5 s VAL 104 CO 0.83 0.13 0.00 0.35 0.00 0.00 0.00 175.10 176.41 2ju5 n THR 105 N 4.59 0.04 -3.83 3.92 -2.24 -1.26 -4.76 114.28 110.74 2ju5 n THR 105 Ca -0.01 0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2ju5 n THR 105 Cb 0.50 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.18 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 -4.97 2.21 0.10 3.38 0.00 -1.26 -5.11 107.32 101.67 2ju5 s GLY 106 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.08 2ju5 s GLY 106 CO 0.00 -0.62 -0.18 -0.11 0.00 0.00 0.00 173.10 172.19 2ju5 s PHE 107 N -1.45 1.59 0.32 1.90 -0.12 -1.26 -3.98 117.98 114.97 2ju5 s PHE 107 Ca 0.33 -0.44 -0.27 0.00 -0.05 0.00 0.00 56.93 56.50 2ju5 s PHE 107 Cb -0.13 -0.87 -0.09 0.00 -0.63 0.00 0.00 43.02 41.30 2ju5 s PHE 107 CO 0.22 0.16 1.00 -1.25 -0.05 0.00 0.00 175.22 175.30 2ju5 s PRO 108 N -1.92 4.55 -0.03 1.99 0.04 -1.26 -4.81 135.00 133.56 2ju5 s PRO 108 Ca 0.04 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.59 2ju5 s PRO 108 Cb -0.10 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2ju5 s PRO 108 CO 0.04 0.21 0.01 -2.00 0.04 0.00 0.00 177.00 175.30 2ju5 s GLU 109 N -1.85 0.23 -0.19 4.56 2.12 -1.06 -3.83 118.70 118.67 2ju5 s GLU 109 Ca 0.49 0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 2ju5 s GLU 109 Cb -0.24 -0.48 -0.00 0.00 0.26 0.00 0.00 34.13 33.67 2ju5 s GLU 109 CO 0.30 -0.17 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.58 2ju5 s LEU 110 N 1.20 2.64 -0.11 2.70 0.20 0.12 -1.93 118.68 123.50 2ju5 s LEU 110 Ca -0.07 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.30 2ju5 s LEU 110 Cb -0.13 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 43.98 2ju5 s LEU 110 CO -0.02 0.02 -0.17 0.68 -0.29 0.00 0.00 176.35 176.57 2ju5 s VAL 111 N 1.24 2.74 -0.23 1.68 -7.23 -1.15 -0.69 120.40 116.77 2ju5 s VAL 111 Ca 0.03 -0.78 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 2ju5 s VAL 111 Cb -0.14 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2ju5 s VAL 111 CO -0.05 0.54 0.15 -0.36 -0.31 0.00 0.00 175.10 175.07 2ju5 s PHE 112 N 0.26 3.34 0.11 2.82 0.08 0.87 -2.15 117.98 123.31 2ju5 s PHE 112 Ca -0.11 0.25 0.04 0.00 0.12 0.00 0.00 56.93 57.23 2ju5 s PHE 112 Cb -0.16 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2ju5 s PHE 112 CO 0.06 0.13 -0.11 0.96 -0.10 0.00 0.00 175.22 176.16 2ju5 s ILE 113 N 0.85 1.08 0.42 0.64 -4.36 -0.41 -0.50 121.20 118.93 2ju5 s ILE 113 Ca 0.08 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 2ju5 s ILE 113 Cb -0.13 -1.52 0.08 0.00 1.25 0.00 0.00 42.46 42.15 2ju5 s ILE 113 CO 0.03 -0.57 0.58 -0.90 0.24 0.00 0.00 174.94 174.31 2ju5 n ASP 114 N 0.37 0.80 0.10 4.36 5.75 -0.31 0.95 116.55 128.57 2ju5 n ASP 114 Ca -0.14 -1.67 0.11 0.00 -0.01 0.00 0.00 54.79 53.08 2ju5 n ASP 114 Cb 0.58 -0.37 0.45 0.00 -1.03 0.00 0.00 41.12 40.76 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ju5 n ALA 115 N -2.93 1.72 1.08 2.12 0.00 -1.26 -1.76 120.51 119.48 2ju5 n ALA 115 Ca -0.10 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2ju5 n ALA 115 Cb 0.34 -1.37 0.15 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.08 1.92 -0.62 0.00 -0.58 -1.26 -4.81 120.64 113.20 2ju5 n GLU 116 Ca 0.03 -1.52 0.00 0.00 -0.42 0.00 0.00 57.16 55.25 2ju5 n GLU 116 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ju5 n GLY 117 N 1.34 0.66 3.75 0.62 0.00 -0.72 -5.05 105.19 105.79 2ju5 n GLY 117 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.73 4.60 -0.13 1.61 1.02 -1.26 -4.75 119.74 120.10 2ju5 s LYS 118 Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.92 2ju5 s LYS 118 Cb 0.00 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2ju5 s LYS 118 CO 0.00 0.39 1.03 -1.14 -0.92 0.00 0.00 175.35 174.72 2ju5 s GLN 119 N -0.54 4.38 -0.16 1.68 0.74 -1.26 -1.16 119.66 123.33 2ju5 s GLN 119 Ca 0.39 1.41 0.16 0.00 0.05 0.00 0.00 55.36 57.37 2ju5 s GLN 119 Cb -0.23 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.07 2ju5 s GLN 119 CO 0.26 -0.40 0.22 1.28 -0.55 0.00 0.00 175.29 176.10 2ju5 n LEU 120 N 5.33 0.32 -3.60 3.68 4.32 0.34 -4.98 117.00 122.41 2ju5 n LEU 120 Ca 0.10 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 2ju5 n LEU 120 Cb 0.48 0.37 -0.01 0.00 -1.62 0.00 0.00 43.42 42.64 2ju5 n LEU 120 CO 0.52 0.48 1.11 0.00 -1.22 0.00 0.00 177.39 178.29 2ju5 s ALA 121 N -2.52 -2.26 -0.09 -1.18 0.00 -1.21 -4.61 121.76 109.88 2ju5 s ALA 121 Ca -0.09 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 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 0.82 -0.87 0.31 -0.98 0.00 0.00 0.00 175.76 175.04 2ju5 s ARG 122 N -2.26 0.46 0.08 0.00 1.70 -1.26 -0.09 118.95 117.57 2ju5 s ARG 122 Ca 0.13 0.24 -0.07 0.00 -0.47 0.00 0.00 55.73 55.56 2ju5 s ARG 122 Cb 0.03 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 2ju5 s ARG 122 CO -0.04 -0.09 0.15 -1.64 -1.08 0.00 0.00 175.30 172.60 2ju5 s MET 123 N -0.30 0.79 0.00 3.89 -1.94 0.14 -5.01 119.30 116.87 2ju5 s MET 123 Ca -0.04 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 2ju5 s MET 123 Cb -0.03 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.12 2ju5 s MET 123 CO 0.02 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 2ju5 n GLY 124 N 0.03 5.04 3.72 -0.03 0.00 -1.26 0.15 105.19 112.84 2ju5 n GLY 124 Ca -0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 2.77 3.63 -0.13 1.61 5.36 -1.25 -4.87 117.98 125.11 2ju5 s PHE 125 Ca 0.00 1.62 -0.04 0.00 -0.96 0.00 0.00 56.93 57.55 2ju5 s PHE 125 Cb 0.00 -3.19 0.06 0.00 -0.34 0.00 0.00 43.02 39.55 2ju5 s PHE 125 CO 0.00 -0.30 0.19 -2.00 -1.46 0.00 0.00 175.22 171.64 2ju5 s GLU 126 N 0.69 0.09 0.83 10.12 2.56 -1.26 -5.12 118.70 126.61 2ju5 s GLU 126 Ca 0.52 0.46 -0.14 0.00 0.00 0.00 0.00 54.97 55.82 2ju5 s GLU 126 Cb -0.24 -0.57 0.04 0.00 2.00 0.00 0.00 34.13 35.37 2ju5 s GLU 126 CO 0.29 -0.41 0.83 -2.30 -0.56 0.00 0.00 175.26 173.10 2ju5 n PRO 127 N 5.33 0.06 0.00 4.30 -0.02 -1.26 -4.34 135.00 139.06 2ju5 n PRO 127 Ca -0.05 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2ju5 n PRO 127 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.06 1.48 0.00 -1.23 0.00 -1.26 -4.95 105.19 100.28 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 -0.03 0.26 -0.02 0.00 -1.26 -4.35 105.19 99.79 2ju5 n GLY 129 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 0.93 0.93 -0.02 0.00 -1.88 -2.50 103.07 100.52 2ju5 h GLY 130 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.74 2ju5 h GLY 130 CO 0.00 0.56 0.09 0.00 0.00 0.00 0.00 176.54 177.18 2ju5 h ALA 131 N 1.00 0.21 -0.55 3.60 0.00 -1.93 -2.17 119.26 119.42 2ju5 h ALA 131 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2ju5 h ALA 131 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2ju5 h ALA 131 CO 0.01 -0.34 0.07 0.00 0.00 0.00 0.00 179.25 178.99 2ju5 h ALA 132 N 1.09 1.08 -0.61 0.00 0.00 -1.75 -2.89 119.26 116.18 2ju5 h ALA 132 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2ju5 h ALA 132 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ju5 h ALA 132 CO -0.05 0.59 0.24 -0.92 0.00 0.00 0.00 179.25 179.12 2ju5 h TYR 133 N 0.84 0.93 -0.37 0.00 5.03 -1.14 -2.75 116.97 119.50 2ju5 h TYR 133 Ca 0.17 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.33 2ju5 h TYR 133 Cb 0.41 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 2ju5 h TYR 133 CO 0.02 0.74 -0.09 -0.39 -1.32 0.00 0.00 178.16 177.13 2ju5 h VAL 134 N 0.85 1.24 -0.89 1.81 -1.51 -1.30 -2.41 116.25 114.04 2ju5 h VAL 134 Ca 0.20 -1.05 0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2ju5 h VAL 134 Cb 0.21 1.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 2ju5 h VAL 134 CO -0.02 0.35 0.59 0.28 -1.23 0.00 0.00 177.57 177.54 2ju5 h SER 135 N 0.59 1.01 -0.59 4.19 0.02 -1.29 -2.15 113.55 115.34 2ju5 h SER 135 Ca 0.11 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2ju5 h SER 135 Cb 0.50 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2ju5 h SER 135 CO 0.03 0.73 0.19 0.11 -1.14 0.00 0.00 176.83 176.75 2ju5 h LYS 136 N 1.19 0.90 -0.60 3.45 1.57 -1.24 -2.77 116.57 119.08 2ju5 h LYS 136 Ca 0.33 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2ju5 h LYS 136 Cb -0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2ju5 h LYS 136 CO -0.08 0.80 0.04 -0.24 -0.57 0.00 0.00 179.45 179.40 2ju5 h VAL 137 N 0.82 1.26 -0.55 0.50 3.04 -1.15 -2.10 116.25 118.07 2ju5 h VAL 137 Ca 0.19 -1.09 0.02 0.00 -1.01 0.00 0.00 66.70 64.82 2ju5 h VAL 137 Cb 0.27 0.76 -0.04 0.00 -2.01 0.00 0.00 31.29 30.27 2ju5 h VAL 137 CO -0.01 0.40 0.34 0.11 -1.01 0.00 0.00 177.57 177.40 2ju5 h LYS 138 N 0.95 0.65 -0.52 4.17 1.57 -1.22 0.96 116.57 123.13 2ju5 h LYS 138 Ca 0.18 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2ju5 h LYS 138 Cb 0.50 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2ju5 h LYS 138 CO 0.02 0.43 -0.08 1.03 -0.57 0.00 0.00 179.45 180.29 2ju5 h SER 139 N 0.67 0.92 -0.55 0.86 0.87 -1.34 -0.66 113.55 114.33 2ju5 h SER 139 Ca 0.22 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 2ju5 h SER 139 Cb 0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2ju5 h SER 139 CO -0.09 1.02 -0.09 0.00 -0.53 0.00 0.00 176.83 177.14 2ju5 h ALA 140 N 1.06 0.75 -0.01 6.23 0.00 -0.76 -2.98 119.26 123.55 2ju5 h ALA 140 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ju5 h ALA 140 Cb 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ju5 h ALA 140 CO 0.04 0.66 -0.11 1.28 0.00 0.00 0.00 179.25 181.12 2ju5 n LEU 141 N -4.16 1.28 -3.21 0.00 4.32 0.28 -4.67 117.00 110.84 2ju5 n LEU 141 Ca 0.02 -0.39 -0.16 0.00 -0.02 0.00 0.00 56.01 55.45 2ju5 n LEU 141 Cb 0.40 -0.05 0.08 0.00 -1.62 0.00 0.00 43.42 42.22 2ju5 n LEU 141 CO 0.45 0.22 0.12 0.29 -1.22 0.00 0.00 177.39 177.26 2ju5 n LYS 142 N -0.19 -6.19 -3.56 3.23 4.01 -0.38 -4.99 118.16 110.08 2ju5 n LYS 142 Ca 0.16 0.76 -0.38 0.00 -0.51 0.00 0.00 58.31 58.35 2ju5 n LYS 142 Cb 0.35 -5.54 -0.10 0.00 -0.51 0.00 0.00 35.03 29.23 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ju5 s LEU 143 N -6.06 4.08 0.00 -0.35 1.02 -0.50 -5.05 118.68 111.82 2ju5 s LEU 143 Ca 0.09 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.40 2ju5 s LEU 143 Cb -0.04 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 43.96 2ju5 s LEU 143 CO 0.66 -0.02 0.00 -1.14 0.02 0.00 0.00 176.35 175.86