#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 1.81 0.20 0.00 0.52 -1.26 -5.02 118.95 115.20 2ju5 s ARG 2 Ca 0.00 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 2ju5 s ARG 2 Cb 0.00 -1.60 0.14 0.00 0.52 0.00 0.00 34.95 34.01 2ju5 s ARG 2 CO 0.00 0.29 1.66 0.00 0.02 0.00 0.00 175.30 177.27 2ju5 h ARG 3 N 6.11 0.97 -5.36 3.54 3.08 -2.10 -3.43 114.38 117.19 2ju5 h ARG 3 Ca -0.34 -0.32 -0.46 0.00 0.07 0.00 0.00 59.98 58.94 2ju5 h ARG 3 Cb 1.17 -0.08 -0.26 0.00 0.08 0.00 0.00 29.97 30.88 2ju5 h ARG 3 CO 0.48 0.98 -0.80 1.03 -1.07 0.00 0.00 179.97 180.59 2ju5 s ARG 4 N -4.93 1.00 0.02 0.04 0.52 -1.26 -5.15 118.95 109.19 2ju5 s ARG 4 Ca -0.11 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2ju5 s ARG 4 Cb 0.14 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 2ju5 s ARG 4 CO 0.85 0.25 -0.11 0.00 0.02 0.00 0.00 175.30 176.31 2ju5 s ALA 5 N -0.75 0.88 0.25 2.13 0.00 -1.26 -5.04 121.76 117.97 2ju5 s ALA 5 Ca 0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 2ju5 s ALA 5 Cb -0.07 -0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.16 2ju5 s ALA 5 CO 0.01 0.15 1.92 0.66 0.00 0.00 0.00 175.76 178.51 2ju5 h SER 6 N 5.19 1.13 -5.57 0.00 4.64 -2.00 -3.47 113.55 113.46 2ju5 h SER 6 Ca -0.35 -0.03 0.24 0.00 -0.47 0.00 0.00 61.79 61.18 2ju5 h SER 6 Cb 1.19 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.93 2ju5 h SER 6 CO 0.45 0.82 0.69 -0.83 -0.87 0.00 0.00 176.83 177.09 2ju5 s GLY 7 N -3.09 -0.08 0.00 -0.77 0.00 -1.26 -5.02 107.32 97.09 2ju5 s GLY 7 Ca -0.13 -0.01 0.20 0.00 0.00 0.00 0.00 44.72 44.78 2ju5 s GLY 7 CO 0.82 2.56 0.87 1.18 0.00 0.00 0.00 173.10 178.53 2ju5 n GLU 8 N -0.69 0.39 -2.02 2.90 4.71 -1.26 -4.97 120.64 119.71 2ju5 n GLU 8 Ca -0.03 -0.07 -0.35 0.00 -0.01 0.00 0.00 57.16 56.70 2ju5 n GLU 8 Cb 0.60 -1.45 0.03 0.00 -1.01 0.00 0.00 31.44 29.61 2ju5 n GLU 8 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2ju5 s ASN 9 N -2.87 5.27 0.18 1.62 0.01 -1.26 -4.94 114.94 112.94 2ju5 s ASN 9 Ca 0.08 2.29 -0.12 0.00 -0.71 0.00 0.00 52.86 54.40 2ju5 s ASN 9 Cb 0.15 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.31 2ju5 s ASN 9 CO 0.81 -1.53 1.77 -0.07 -1.51 0.00 0.00 177.10 176.56 2ju5 h LEU 10 N 0.81 0.78 -9.96 0.60 3.38 -2.06 -3.43 115.31 105.43 2ju5 h LEU 10 Ca -0.50 -0.12 -0.48 0.00 0.09 0.00 0.00 57.88 56.86 2ju5 h LEU 10 Cb 1.28 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.85 2ju5 h LEU 10 CO 0.55 0.68 0.41 -1.10 0.09 0.00 0.00 178.44 179.08 2ju5 s GLN 11 N -5.73 4.16 -0.18 1.13 -0.21 -1.26 -5.04 119.66 112.54 2ju5 s GLN 11 Ca -0.13 1.52 -0.08 0.00 0.02 0.00 0.00 55.36 56.70 2ju5 s GLN 11 Cb 0.13 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 2ju5 s GLN 11 CO 0.78 -0.14 0.07 -0.65 -2.12 0.00 0.00 175.29 173.23 2ju5 s GLN 12 N -2.49 3.97 0.21 2.91 -0.21 -1.26 -4.98 119.66 117.82 2ju5 s GLN 12 Ca 0.58 -0.32 0.11 0.00 0.02 0.00 0.00 55.36 55.74 2ju5 s GLN 12 Cb -0.22 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2ju5 s GLN 12 CO 0.28 0.30 -0.21 0.95 -2.12 0.00 0.00 175.29 174.49 2ju5 s THR 13 N 0.30 2.49 0.06 -0.19 -4.23 -1.26 -5.15 115.64 107.66 2ju5 s THR 13 Ca 0.04 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2ju5 s THR 13 Cb -0.12 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 2ju5 s THR 13 CO -0.00 -0.19 -0.08 0.00 -0.54 0.00 0.00 174.62 173.80 2ju5 s ARG 14 N -2.91 0.65 0.67 3.99 3.03 -1.26 -5.04 118.95 118.08 2ju5 s ARG 14 Ca 0.24 -0.93 -0.14 0.00 2.03 0.00 0.00 55.73 56.93 2ju5 s ARG 14 Cb -0.07 -0.36 0.00 0.00 -1.03 0.00 0.00 34.95 33.49 2ju5 s ARG 14 CO 0.12 0.05 1.08 -1.25 -1.13 0.00 0.00 175.30 174.17 2ju5 s PRO 15 N -2.16 2.86 0.17 3.89 0.04 -1.26 -4.96 135.00 133.58 2ju5 s PRO 15 Ca -0.03 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 2ju5 s PRO 15 Cb -0.06 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.57 2ju5 s PRO 15 CO -0.00 -1.18 1.74 0.82 0.04 0.00 0.00 177.00 178.42 2ju5 h ILE 16 N -0.22 1.21 -2.93 0.56 2.04 -2.00 -3.42 117.51 112.75 2ju5 h ILE 16 Ca -0.46 -0.61 -0.62 0.00 1.00 0.00 0.00 64.86 64.18 2ju5 h ILE 16 Cb 1.23 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2ju5 h ILE 16 CO 0.55 0.24 -0.27 0.00 0.00 0.00 0.00 178.15 178.67 2ju5 s ALA 17 N -5.66 3.75 0.26 1.87 0.00 -1.26 -4.99 121.76 115.72 2ju5 s ALA 17 Ca -0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2ju5 s ALA 17 Cb 0.12 -2.27 0.31 0.00 0.00 0.00 0.00 23.12 21.28 2ju5 s ALA 17 CO 0.78 0.53 1.79 0.00 0.00 0.00 0.00 175.76 178.86 2ju5 h ALA 18 N 4.66 1.13 -3.82 0.00 0.00 -2.02 -3.43 119.26 115.79 2ju5 h ALA 18 Ca -0.52 -0.22 -0.46 0.00 0.00 0.00 0.00 54.91 53.71 2ju5 h ALA 18 Cb 1.22 -0.24 -0.25 0.00 0.00 0.00 0.00 17.79 18.52 2ju5 h ALA 18 CO 0.61 0.58 -0.80 0.00 0.00 0.00 0.00 179.25 179.65 2ju5 s ALA 19 N -5.25 1.24 0.53 0.00 0.00 -1.26 -5.05 121.76 111.96 2ju5 s ALA 19 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2ju5 s ALA 19 Cb 0.15 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.14 2ju5 s ALA 19 CO 0.82 0.24 0.56 0.09 0.00 0.00 0.00 175.76 177.47 2ju5 n ASN 20 N 1.95 0.91 -4.76 0.00 3.02 -1.26 -5.02 115.26 110.11 2ju5 n ASN 20 Ca -0.18 -1.73 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 2ju5 n ASN 20 Cb 0.55 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2ju5 s LEU 21 N 0.00 4.50 -0.42 3.41 2.96 -1.26 -5.01 118.68 122.86 2ju5 s LEU 21 Ca 0.38 2.42 -0.13 0.00 -0.22 0.00 0.00 54.13 56.59 2ju5 s LEU 21 Cb -0.02 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 43.08 2ju5 s LEU 21 CO 0.25 -0.30 0.30 -1.10 -1.32 0.00 0.00 176.35 174.18 2ju5 s GLN 22 N -1.51 2.88 0.21 1.98 -0.21 -1.26 -5.07 119.66 116.69 2ju5 s GLN 22 Ca 0.47 -1.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.37 2ju5 s GLN 22 Cb -0.35 -3.93 -0.08 0.00 1.00 0.00 0.00 33.01 29.65 2ju5 s GLN 22 CO 0.45 -0.84 0.91 -1.58 -2.12 0.00 0.00 175.29 172.11 2ju5 s TRP 23 N 1.60 3.96 0.32 0.91 0.51 -1.26 -4.34 118.94 120.64 2ju5 s TRP 23 Ca 0.04 1.85 0.09 0.00 -2.12 0.00 0.00 56.10 55.96 2ju5 s TRP 23 Cb -0.21 -2.95 -0.06 0.00 -0.81 0.00 0.00 33.47 29.44 2ju5 s TRP 23 CO 0.07 0.45 -0.10 -1.21 -0.51 0.00 0.00 176.95 175.65 2ju5 s GLU 24 N -1.06 1.75 0.49 4.98 2.02 0.18 -5.01 118.70 122.05 2ju5 s GLU 24 Ca 0.41 -1.89 -0.11 0.00 0.02 0.00 0.00 54.97 53.40 2ju5 s GLU 24 Cb -0.25 -1.59 -0.06 0.00 0.10 0.00 0.00 34.13 32.33 2ju5 s GLU 24 CO 0.31 0.14 0.88 -1.12 0.02 0.00 0.00 175.26 175.48 2ju5 s SER 25 N -3.56 6.42 0.19 -0.19 0.01 -1.26 -4.13 113.70 111.18 2ju5 s SER 25 Ca 0.32 1.25 -0.12 0.00 1.31 0.00 0.00 55.95 58.71 2ju5 s SER 25 Cb 0.02 -2.38 0.16 0.00 0.21 0.00 0.00 66.02 64.02 2ju5 s SER 25 CO 0.15 -0.59 1.80 0.22 0.41 0.00 0.00 173.24 175.24 2ju5 h TYR 26 N 0.61 0.58 -0.40 2.43 3.20 -1.94 0.60 116.97 122.04 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 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2ju5 h TYR 26 CO 0.62 0.30 -0.26 0.00 -1.64 0.00 0.00 178.16 177.18 2ju5 h ALA 27 N 1.28 0.79 -0.32 1.82 0.00 -2.00 -2.73 119.26 118.09 2ju5 h ALA 27 Ca 0.24 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2ju5 h ALA 27 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ju5 h ALA 27 CO -0.14 0.65 -0.39 0.93 0.00 0.00 0.00 179.25 180.30 2ju5 h GLU 28 N 0.72 0.77 -0.37 0.00 4.39 -1.72 -2.74 114.58 115.63 2ju5 h GLU 28 Ca 0.09 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2ju5 h GLU 28 Cb 0.80 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2ju5 h GLU 28 CO 0.07 1.03 0.24 0.00 -1.16 0.00 0.00 179.01 179.18 2ju5 h ALA 29 N 0.92 0.47 -0.66 3.43 0.00 0.32 -1.79 119.26 121.94 2ju5 h ALA 29 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2ju5 h ALA 29 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2ju5 h ALA 29 CO 0.09 -0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.31 2ju5 h LEU 30 N 0.50 1.04 -0.46 0.00 3.38 -1.48 0.06 115.31 118.34 2ju5 h LEU 30 Ca 0.14 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2ju5 h LEU 30 Cb -0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 2ju5 h LEU 30 CO -0.03 1.03 0.19 -0.33 0.09 0.00 0.00 178.44 179.40 2ju5 h GLU 31 N 1.01 0.38 -0.32 1.13 5.08 -1.17 0.31 114.58 121.01 2ju5 h GLU 31 Ca 0.20 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2ju5 h GLU 31 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ju5 h GLU 31 CO 0.01 0.25 -0.12 0.45 -1.00 0.00 0.00 179.01 178.60 2ju5 h HIS 32 N 0.39 0.73 -0.58 4.33 3.86 -1.03 -3.08 115.15 119.78 2ju5 h HIS 32 Ca 0.21 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2ju5 h HIS 32 Cb 0.18 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2ju5 h HIS 32 CO -0.13 0.84 0.27 0.77 0.86 0.00 0.00 177.93 180.54 2ju5 h SER 33 N 0.41 0.73 -0.29 2.45 0.02 -0.26 2.55 113.55 119.16 2ju5 h SER 33 Ca 0.08 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2ju5 h SER 33 Cb 0.63 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2ju5 h SER 33 CO 0.04 0.63 0.20 0.11 -1.14 0.00 0.00 176.83 176.67 2ju5 h LYS 34 N 0.81 0.22 0.01 3.45 1.57 -0.32 1.17 116.57 123.48 2ju5 h LYS 34 Ca 0.20 -0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.56 2ju5 h LYS 34 Cb 0.10 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 2ju5 h LYS 34 CO -0.03 0.15 -2.44 1.04 -0.57 0.00 0.00 179.45 177.60 2ju5 n GLN 35 N -4.49 0.64 0.05 3.15 6.02 0.04 -4.59 117.38 118.21 2ju5 n GLN 35 Ca 0.03 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.32 2ju5 n GLN 35 Cb 0.20 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 -3.51 0.56 -0.24 1.08 8.00 0.84 -4.97 116.55 118.31 2ju5 n ASP 36 Ca -0.47 0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.08 2ju5 n ASP 36 Cb 0.97 0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 43.00 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 -2.34 0.00 -2.40 1.24 8.25 0.40 -4.95 115.22 115.42 2ju5 n HIS 37 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2ju5 n HIS 37 Cb 0.52 -1.46 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 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 -1.65 4.43 0.63 -0.41 1.02 -1.26 -4.91 119.74 117.59 2ju5 s LYS 38 Ca 0.00 1.80 -0.18 0.00 0.02 0.00 0.00 55.97 57.61 2ju5 s LYS 38 Cb 0.00 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2ju5 s LYS 38 CO 0.00 -0.25 1.01 -2.30 -0.92 0.00 0.00 175.35 172.89 2ju5 n PRO 39 N 3.79 0.84 -4.19 -1.68 -0.02 -1.26 -4.62 135.00 127.86 2ju5 n PRO 39 Ca 0.09 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2ju5 n PRO 39 Cb 0.46 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.55 3.98 -0.30 4.25 1.01 0.82 -2.06 121.20 127.36 2ju5 s ILE 40 Ca 0.77 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 61.03 2ju5 s ILE 40 Cb -0.40 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2ju5 s ILE 40 CO 0.46 0.45 0.10 -0.83 0.00 0.00 0.00 174.94 175.13 2ju5 s GLY 41 N 0.72 1.81 -0.23 6.18 0.00 -0.25 -1.34 107.32 114.21 2ju5 s GLY 41 Ca -0.01 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 2ju5 s GLY 41 CO 0.02 0.65 0.21 1.08 0.00 0.00 0.00 173.10 175.06 2ju5 s LEU 42 N 1.55 4.13 -0.46 0.66 1.02 -0.88 -1.04 118.68 123.65 2ju5 s LEU 42 Ca 0.04 0.20 -0.18 0.00 0.02 0.00 0.00 54.13 54.20 2ju5 s LEU 42 Cb -0.17 -2.19 0.04 0.00 0.02 0.00 0.00 46.19 43.89 2ju5 s LEU 42 CO 0.04 0.04 0.54 0.12 0.02 0.00 0.00 176.35 177.10 2ju5 s PHE 43 N 1.10 3.12 -0.26 0.29 5.36 0.18 -2.76 117.98 125.01 2ju5 s PHE 43 Ca 0.10 -0.46 -0.15 0.00 -0.96 0.00 0.00 56.93 55.46 2ju5 s PHE 43 Cb -0.14 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.26 2ju5 s PHE 43 CO 0.05 -0.87 0.37 -0.06 -1.46 0.00 0.00 175.22 173.26 2ju5 s PHE 44 N 2.37 3.27 0.21 10.12 0.08 -0.89 -0.65 117.98 132.49 2ju5 s PHE 44 Ca 0.14 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.57 2ju5 s PHE 44 Cb -0.18 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 2ju5 s PHE 44 CO 0.13 -0.19 0.38 0.25 -0.10 0.00 0.00 175.22 175.69 2ju5 n THR 45 N 4.98 0.00 -3.67 0.64 -2.24 -0.82 -2.71 114.28 110.47 2ju5 n THR 45 Ca -0.08 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.72 2ju5 n THR 45 Cb 0.51 0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.15 1.59 0.42 3.38 0.00 -1.26 0.21 107.32 109.50 2ju5 s GLY 46 Ca 0.11 -2.54 0.13 0.00 0.00 0.00 0.00 44.72 42.42 2ju5 s GLY 46 CO 0.08 1.63 1.96 1.76 0.00 0.00 0.00 173.10 178.53 2ju5 h SER 47 N 6.65 0.42 -0.02 1.64 0.02 -1.88 -1.13 113.55 119.25 2ju5 h SER 47 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2ju5 h SER 47 Cb 0.93 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2ju5 h SER 47 CO 0.46 0.25 -0.24 0.47 -1.14 0.00 0.00 176.83 176.63 2ju5 n ASP 48 N -4.48 2.16 0.00 3.07 8.00 -1.26 -4.72 116.55 119.33 2ju5 n ASP 48 Ca 0.11 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2ju5 n ASP 48 Cb 0.38 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.41 0.00 -3.22 1.24 4.27 -1.12 -4.86 117.44 114.16 2ju5 n TRP 49 Ca 0.09 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.27 2ju5 n TRP 49 Cb 0.44 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.32 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 8.88 0.91 -0.04 0.00 4.05 -1.95 -2.64 114.93 124.14 2ju5 h MET 51 Ca -0.27 -0.45 -0.02 0.00 -0.28 0.00 0.00 59.70 58.68 2ju5 h MET 51 Cb 1.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 2ju5 h MET 51 CO 0.90 1.11 -0.08 -1.49 0.23 0.00 0.00 176.91 177.57 2ju5 h TRP 52 N 0.73 0.05 -0.36 1.39 6.55 -1.94 -0.99 115.95 121.40 2ju5 h TRP 52 Ca 0.07 -0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.78 2ju5 h TRP 52 Cb 0.90 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 29.17 2ju5 h TRP 52 CO 0.06 0.14 -0.31 0.00 -1.05 0.00 0.00 178.44 177.29 2ju5 h ILE 54 N 0.63 1.19 -0.65 0.00 2.04 -0.90 -0.29 117.51 119.54 2ju5 h ILE 54 Ca 0.06 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2ju5 h ILE 54 Cb 0.89 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2ju5 h ILE 54 CO 0.08 0.21 0.39 0.11 0.00 0.00 0.00 178.15 178.93 2ju5 h LYS 55 N 0.86 0.88 -0.57 2.37 1.79 -1.00 0.50 116.57 121.40 2ju5 h LYS 55 Ca 0.23 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2ju5 h LYS 55 Cb 0.01 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 2ju5 h LYS 55 CO -0.04 0.63 0.31 1.98 -1.08 0.00 0.00 179.45 181.25 2ju5 h MET 56 N 0.88 0.80 0.01 3.15 4.05 -0.63 0.48 114.93 123.67 2ju5 h MET 56 Ca 0.23 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 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 0.62 -0.01 1.96 0.23 0.00 0.00 176.91 179.67 2ju5 h GLN 57 N 0.77 -0.02 -0.44 0.39 4.20 -0.52 0.23 115.11 119.73 2ju5 h GLN 57 Ca 0.20 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 2ju5 h GLN 57 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2ju5 h GLN 57 CO -0.03 0.22 -0.24 -0.44 -0.67 0.00 0.00 178.83 177.66 2ju5 h ASP 58 N -0.25 0.94 0.55 1.46 3.32 0.17 -0.71 116.42 121.91 2ju5 h ASP 58 Ca -0.00 -0.36 -0.21 0.00 0.02 0.00 0.00 57.03 56.48 2ju5 h ASP 58 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2ju5 h ASP 58 CO 0.00 1.13 -1.61 0.00 -1.72 0.00 0.00 179.24 177.05 2ju5 n GLN 59 N -4.10 0.63 -0.00 3.56 1.13 0.17 -4.46 117.38 114.31 2ju5 n GLN 59 Ca -0.00 0.20 -0.04 0.00 -1.94 0.00 0.00 57.00 55.22 2ju5 n GLN 59 Cb 0.46 -1.76 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2ju5 n ILE 60 N -2.88 0.92 -0.33 5.09 5.41 0.77 -3.47 119.36 124.88 2ju5 n ILE 60 Ca -0.13 0.18 -0.03 0.00 1.00 0.00 0.00 62.75 63.77 2ju5 n ILE 60 Cb 0.91 -1.69 0.12 0.00 -0.71 0.00 0.00 39.64 38.26 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 1.10 -1.06 1.39 -0.00 -1.33 -2.35 115.31 112.83 2ju5 h LEU 61 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2ju5 h LEU 61 Cb 0.58 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2ju5 h LEU 61 CO -0.04 0.85 0.00 0.00 -0.00 0.00 0.00 178.44 179.25 2ju5 n GLN 62 N -4.36 1.70 -2.61 1.13 6.02 -0.28 -4.36 117.38 114.62 2ju5 n GLN 62 Ca 0.10 -1.05 -0.32 0.00 -0.01 0.00 0.00 57.00 55.72 2ju5 n GLN 62 Cb 0.06 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ju5 s SER 63 N -1.53 6.74 0.18 1.08 0.01 -0.89 -4.92 113.70 114.37 2ju5 s SER 63 Ca 0.31 1.57 -0.13 0.00 1.31 0.00 0.00 55.95 59.01 2ju5 s SER 63 Cb 0.17 -2.50 0.09 0.00 0.21 0.00 0.00 66.02 63.99 2ju5 s SER 63 CO 0.25 -0.48 1.82 0.28 0.41 0.00 0.00 173.24 175.53 2ju5 h SER 64 N 1.35 0.55 -0.51 2.44 0.02 -1.91 -0.93 113.55 114.56 2ju5 h SER 64 Ca -0.48 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2ju5 h SER 64 Cb 1.18 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2ju5 h SER 64 CO 0.62 0.39 0.21 -0.33 -1.14 0.00 0.00 176.83 176.58 2ju5 h GLU 65 N 0.66 0.76 -0.45 3.45 4.39 -1.92 -1.22 114.58 120.25 2ju5 h GLU 65 Ca 0.21 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2ju5 h GLU 65 Cb -0.01 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2ju5 h GLU 65 CO -0.08 0.66 0.17 0.35 -1.16 0.00 0.00 179.01 178.95 2ju5 h PHE 66 N 0.69 0.69 -0.50 4.33 3.04 -1.73 -0.45 116.94 123.01 2ju5 h PHE 66 Ca 0.17 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2ju5 h PHE 66 Cb 0.18 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2ju5 h PHE 66 CO 0.00 0.61 0.33 0.87 -2.02 0.00 0.00 178.31 178.10 2ju5 h LYS 67 N 0.58 0.66 -0.21 1.11 1.57 -0.95 0.24 116.57 119.57 2ju5 h LYS 67 Ca 0.15 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2ju5 h LYS 67 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2ju5 h LYS 67 CO -0.01 0.44 0.02 1.25 -0.57 0.00 0.00 179.45 180.58 2ju5 h HIS 68 N 0.68 0.38 0.05 -1.35 2.76 -1.04 0.18 115.15 116.82 2ju5 h HIS 68 Ca 0.18 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2ju5 h HIS 68 Cb -0.08 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.78 2ju5 h HIS 68 CO -0.04 0.52 -0.02 0.35 -1.30 0.00 0.00 177.93 177.44 2ju5 h PHE 69 N 0.13 -0.06 -0.38 5.26 3.57 -0.84 -2.52 116.94 122.11 2ju5 h PHE 69 Ca 0.06 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2ju5 h PHE 69 Cb 0.36 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2ju5 h PHE 69 CO 0.03 0.04 -0.21 0.00 -2.23 0.00 0.00 178.31 175.94 2ju5 h ALA 70 N 0.80 0.92 -0.45 2.41 0.00 -0.51 0.15 119.26 122.57 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 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ju5 h ALA 70 CO 0.01 0.62 -0.01 0.78 0.00 0.00 0.00 179.25 180.65 2ju5 h GLY 71 N 0.97 0.79 0.56 0.00 0.00 -0.58 0.13 103.07 104.94 2ju5 h GLY 71 Ca 0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 47.33 46.62 2ju5 h GLY 71 CO 0.05 0.48 -1.44 -2.08 0.00 0.00 0.00 176.54 173.56 2ju5 h VAL 72 N 0.69 1.01 -0.01 4.60 2.07 -1.33 -3.41 116.25 119.87 2ju5 h VAL 72 Ca 0.14 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2ju5 h VAL 72 Cb 0.43 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2ju5 h VAL 72 CO 0.02 0.71 -0.31 1.41 0.02 0.00 0.00 177.57 179.42 2ju5 n HIS 73 N -3.91 0.00 -4.18 1.57 -0.00 0.52 -5.07 115.22 104.15 2ju5 n HIS 73 Ca -0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.36 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 -1.92 1.43 -0.16 2.41 1.02 0.43 -4.20 118.68 117.70 2ju5 s LEU 74 Ca 0.11 -1.31 -0.00 0.00 0.02 0.00 0.00 54.13 52.94 2ju5 s LEU 74 Cb 0.11 0.33 -0.01 0.00 0.02 0.00 0.00 46.19 46.65 2ju5 s LEU 74 CO 0.36 -0.79 -0.13 -1.00 0.02 0.00 0.00 176.35 174.81 2ju5 s HIS 75 N -4.10 2.82 -0.15 0.29 3.76 -0.87 -4.54 115.29 112.50 2ju5 s HIS 75 Ca 0.33 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 54.27 2ju5 s HIS 75 Cb 0.07 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 2ju5 s HIS 75 CO 0.08 -0.41 0.04 -1.64 -0.85 0.00 0.00 174.74 171.96 2ju5 s MET 76 N 0.77 3.62 -0.08 1.40 -1.94 -1.26 -1.09 119.30 120.72 2ju5 s MET 76 Ca -0.05 -0.37 0.04 0.00 -1.71 0.00 0.00 55.69 53.60 2ju5 s MET 76 Cb -0.15 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.63 2ju5 s MET 76 CO 0.01 0.43 -0.21 0.08 -0.01 0.00 0.00 175.02 175.32 2ju5 s VAL 77 N -0.10 1.82 -0.21 -6.03 1.01 -0.20 0.52 120.40 117.21 2ju5 s VAL 77 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2ju5 s VAL 77 Cb -0.12 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2ju5 s VAL 77 CO 0.01 0.51 0.23 -0.70 0.00 0.00 0.00 175.10 175.15 2ju5 s GLU 78 N 0.31 4.15 -0.36 2.72 2.12 -1.26 -0.64 118.70 125.74 2ju5 s GLU 78 Ca -0.15 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2ju5 s GLU 78 Cb -0.16 -3.49 0.11 0.00 0.26 0.00 0.00 34.13 30.85 2ju5 s GLU 78 CO 0.07 0.12 0.15 0.08 -0.54 0.00 0.00 175.26 175.14 2ju5 s VAL 79 N 0.87 1.14 0.05 3.70 1.01 0.18 -4.91 120.40 122.45 2ju5 s VAL 79 Ca 0.12 -1.91 0.03 0.00 0.00 0.00 0.00 61.98 60.22 2ju5 s VAL 79 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2ju5 s VAL 79 CO 0.04 -0.77 0.03 -1.81 0.00 0.00 0.00 175.10 172.59 2ju5 s ASP 80 N 1.07 5.24 -0.58 3.32 1.01 -1.26 -1.94 116.67 123.53 2ju5 s ASP 80 Ca 0.13 -0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.39 2ju5 s ASP 80 Cb -0.20 -1.35 0.21 0.00 1.01 0.00 0.00 42.92 42.59 2ju5 s ASP 80 CO -0.13 0.21 0.55 0.49 0.21 0.00 0.00 175.17 176.49 2ju5 n PHE 81 N 0.81 2.05 -1.62 4.23 3.72 0.13 -4.94 117.46 121.84 2ju5 n PHE 81 Ca -0.11 -3.97 -0.30 0.00 -0.05 0.00 0.00 57.45 53.02 2ju5 n PHE 81 Cb 0.52 -0.40 0.06 0.00 -0.94 0.00 0.00 39.48 38.73 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ju5 s PRO 82 N -1.45 2.60 0.10 -1.08 0.04 -1.26 -4.42 135.00 129.53 2ju5 s PRO 82 Ca 0.32 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 2ju5 s PRO 82 Cb 0.06 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 2ju5 s PRO 82 CO -0.12 -1.28 1.31 1.96 0.04 0.00 0.00 177.00 178.91 2ju5 h GLN 83 N -0.85 0.78 -4.04 4.56 1.08 -1.95 -3.37 115.11 111.32 2ju5 h GLN 83 Ca -0.45 -0.61 -0.75 0.00 -1.45 0.00 0.00 58.65 55.38 2ju5 h GLN 83 Cb 1.24 0.12 -0.27 0.00 -0.05 0.00 0.00 27.48 28.51 2ju5 h GLN 83 CO 0.59 1.22 -0.21 0.21 -0.95 0.00 0.00 178.83 179.70 2ju5 s LYS 84 N -3.81 2.95 -0.71 1.46 2.20 -1.26 -5.02 119.74 115.54 2ju5 s LYS 84 Ca -0.11 -2.01 -0.17 0.00 -0.36 0.00 0.00 55.97 53.33 2ju5 s LYS 84 Cb 0.08 -4.16 0.15 0.00 -1.51 0.00 0.00 37.83 32.39 2ju5 s LYS 84 CO 0.89 -1.26 0.77 -0.80 -0.36 0.00 0.00 175.35 174.59 2ju5 s ASN 85 N 2.65 6.43 -0.40 1.43 -0.87 -1.26 -4.88 114.94 118.04 2ju5 s ASN 85 Ca 0.09 -1.97 0.03 0.00 -1.57 0.00 0.00 52.86 49.45 2ju5 s ASN 85 Cb -0.23 -2.28 0.57 0.00 -0.02 0.00 0.00 41.25 39.30 2ju5 s ASN 85 CO -0.02 -0.91 1.80 1.41 -2.57 0.00 0.00 177.10 176.82 2ju5 n HIS 86 N 5.51 2.67 -2.86 2.20 8.25 -1.26 -4.95 115.22 124.79 2ju5 n HIS 86 Ca 0.02 -1.70 -0.26 0.00 -0.26 0.00 0.00 57.72 55.53 2ju5 n HIS 86 Cb 0.45 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.87 3.37 0.68 -0.41 -1.52 -1.26 -5.08 119.66 112.57 2ju5 s GLN 87 Ca 0.50 -0.08 -0.13 0.00 -1.95 0.00 0.00 55.36 53.69 2ju5 s GLN 87 Cb 0.42 -2.47 0.01 0.00 -0.22 0.00 0.00 33.01 30.75 2ju5 s GLN 87 CO 0.09 -0.19 1.09 -1.25 -0.25 0.00 0.00 175.29 174.78 2ju5 s PRO 88 N -4.63 2.79 0.21 2.91 0.04 -1.26 -4.86 135.00 130.20 2ju5 s PRO 88 Ca 0.46 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 2ju5 s PRO 88 Cb -0.10 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.77 2ju5 s PRO 88 CO 0.41 -1.24 1.76 1.49 0.04 0.00 0.00 177.00 179.47 2ju5 h GLU 89 N -0.32 0.48 -1.00 4.56 4.81 -1.99 -2.04 114.58 119.08 2ju5 h GLU 89 Ca -0.45 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2ju5 h GLU 89 Cb 1.23 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 2ju5 h GLU 89 CO 0.54 0.32 0.65 0.93 -0.73 0.00 0.00 179.01 180.73 2ju5 h GLU 90 N 0.50 1.17 -0.33 1.92 5.08 -2.00 -0.57 114.58 120.35 2ju5 h GLU 90 Ca 0.32 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 2ju5 h GLU 90 Cb 0.36 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ju5 h GLU 90 CO -0.28 0.77 -0.39 0.37 -1.00 0.00 0.00 179.01 178.48 2ju5 h GLN 91 N 1.20 0.80 -0.51 2.33 4.15 -1.78 -2.07 115.11 119.23 2ju5 h GLN 91 Ca 0.42 -0.42 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2ju5 h GLN 91 Cb 0.12 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2ju5 h GLN 91 CO -0.16 1.05 0.13 0.00 -1.93 0.00 0.00 178.83 177.92 2ju5 h ARG 92 N 0.65 0.80 -0.22 1.69 3.08 -0.70 -0.36 114.38 119.33 2ju5 h ARG 92 Ca 0.05 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2ju5 h ARG 92 Cb 0.95 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2ju5 h ARG 92 CO 0.09 0.77 0.10 1.96 -1.07 0.00 0.00 179.97 181.82 2ju5 h GLN 93 N 0.70 0.32 -0.17 0.04 4.20 -1.05 -1.62 115.11 117.51 2ju5 h GLN 93 Ca 0.16 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2ju5 h GLN 93 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2ju5 h GLN 93 CO 0.00 0.34 0.10 -0.22 -0.67 0.00 0.00 178.83 178.39 2ju5 h LYS 94 N 0.22 0.24 -0.98 1.46 3.64 -1.25 -1.00 116.57 118.89 2ju5 h LYS 94 Ca 0.08 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2ju5 h LYS 94 Cb 0.13 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2ju5 h LYS 94 CO -0.01 0.20 0.64 -0.91 -2.27 0.00 0.00 179.45 177.11 2ju5 h ASN 95 N 0.20 1.08 -0.57 4.20 2.35 -0.95 -0.83 115.58 121.06 2ju5 h ASN 95 Ca 0.06 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2ju5 h ASN 95 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2ju5 h ASN 95 CO -0.01 0.74 -0.02 1.56 -1.65 0.00 0.00 177.43 178.05 2ju5 h GLN 96 N 1.25 1.03 -0.42 0.81 1.08 -0.97 -1.10 115.11 116.79 2ju5 h GLN 96 Ca 0.39 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2ju5 h GLN 96 Cb -0.01 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2ju5 h GLN 96 CO -0.12 1.02 0.24 1.49 -0.95 0.00 0.00 178.83 180.50 2ju5 h GLU 97 N 0.94 0.59 -0.69 1.46 4.81 -0.23 -1.36 114.58 120.10 2ju5 h GLU 97 Ca 0.17 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2ju5 h GLU 97 Cb 0.56 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2ju5 h GLU 97 CO 0.03 0.46 0.16 -0.07 -0.73 0.00 0.00 179.01 178.86 2ju5 h LEU 98 N 0.55 1.06 -0.94 1.64 4.07 -1.03 0.55 115.31 121.21 2ju5 h LEU 98 Ca 0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2ju5 h LEU 98 Cb 0.04 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.46 2ju5 h LEU 98 CO -0.03 1.02 0.59 0.50 -1.08 0.00 0.00 178.44 179.45 2ju5 h LYS 99 N 1.06 1.27 0.14 1.13 3.64 -0.85 0.14 116.57 123.09 2ju5 h LYS 99 Ca 0.22 -0.10 -0.30 0.00 -1.27 0.00 0.00 60.65 59.19 2ju5 h LYS 99 Cb 0.39 -0.27 0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2ju5 h LYS 99 CO 0.00 0.87 -1.27 0.00 -2.27 0.00 0.00 179.45 176.79 2ju5 h ALA 100 N 1.32 -0.01 -0.69 5.00 0.00 -0.85 0.47 119.26 124.51 2ju5 h ALA 100 Ca 0.34 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2ju5 h ALA 100 Cb -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2ju5 h ALA 100 CO -0.07 0.72 0.13 0.37 0.00 0.00 0.00 179.25 180.40 2ju5 h GLN 101 N 0.24 1.13 -0.24 0.00 4.15 0.46 -2.25 115.11 118.61 2ju5 h GLN 101 Ca -0.19 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2ju5 h GLN 101 Cb 1.95 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.50 2ju5 h GLN 101 CO 0.24 1.02 0.00 0.66 -1.93 0.00 0.00 178.83 178.82 2ju5 n TYR 102 N -4.21 0.31 -3.93 3.99 4.02 0.44 -4.91 117.16 112.88 2ju5 n TYR 102 Ca 0.05 -0.16 -0.27 0.00 -0.01 0.00 0.00 57.90 57.51 2ju5 n TYR 102 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ju5 n LYS 103 N 0.31 -4.10 -3.12 -0.72 5.02 -0.85 -4.90 118.16 109.80 2ju5 n LYS 103 Ca 0.13 0.49 -0.40 0.00 -2.02 0.00 0.00 58.31 56.51 2ju5 n LYS 103 Cb 0.28 -4.96 -0.06 0.00 -0.02 0.00 0.00 35.03 30.27 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 -3.66 5.02 -0.02 -0.18 1.01 0.14 -4.89 120.40 117.82 2ju5 s VAL 104 Ca 0.24 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 2ju5 s VAL 104 Cb -0.13 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2ju5 s VAL 104 CO 0.86 0.12 -0.02 0.35 0.00 0.00 0.00 175.10 176.42 2ju5 n THR 105 N 4.61 0.10 -4.13 3.92 -2.24 -1.26 -4.78 114.28 110.50 2ju5 n THR 105 Ca -0.01 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 2ju5 n THR 105 Cb 0.50 -1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 67.30 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 -4.88 1.97 0.14 3.38 0.00 -1.26 -5.13 107.32 101.55 2ju5 s GLY 106 Ca -0.02 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.79 2ju5 s GLY 106 CO 0.03 -0.91 -0.16 -0.11 0.00 0.00 0.00 173.10 171.95 2ju5 s PHE 107 N -1.26 1.58 0.30 1.90 -0.12 -1.26 -4.10 117.98 115.01 2ju5 s PHE 107 Ca 0.25 -0.52 -0.27 0.00 -0.05 0.00 0.00 56.93 56.33 2ju5 s PHE 107 Cb -0.12 -0.81 -0.10 0.00 -0.63 0.00 0.00 43.02 41.37 2ju5 s PHE 107 CO 0.17 0.22 0.95 -1.25 -0.05 0.00 0.00 175.22 175.26 2ju5 s PRO 108 N -2.74 4.66 -0.04 1.99 0.04 -1.26 -4.82 135.00 132.83 2ju5 s PRO 108 Ca 0.12 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2ju5 s PRO 108 Cb -0.05 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2ju5 s PRO 108 CO 0.04 0.34 -0.01 -2.00 0.04 0.00 0.00 177.00 175.42 2ju5 s GLU 109 N -1.76 0.48 -0.21 4.56 2.56 -1.10 -3.68 118.70 119.55 2ju5 s GLU 109 Ca 0.47 0.05 -0.04 0.00 0.00 0.00 0.00 54.97 55.46 2ju5 s GLU 109 Cb -0.22 -0.67 -0.01 0.00 2.00 0.00 0.00 34.13 35.23 2ju5 s GLU 109 CO 0.27 -0.16 -0.05 -1.17 -0.56 0.00 0.00 175.26 173.59 2ju5 s LEU 110 N 1.23 2.90 -0.14 2.70 0.20 0.39 -2.10 118.68 123.87 2ju5 s LEU 110 Ca -0.07 -0.37 -0.00 0.00 0.69 0.00 0.00 54.13 54.39 2ju5 s LEU 110 Cb -0.13 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 2ju5 s LEU 110 CO -0.02 0.01 -0.14 0.68 -0.29 0.00 0.00 176.35 176.59 2ju5 s VAL 111 N 1.31 2.93 -0.22 1.68 -7.23 -1.11 -0.06 120.40 117.69 2ju5 s VAL 111 Ca 0.04 -0.70 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 2ju5 s VAL 111 Cb -0.14 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2ju5 s VAL 111 CO -0.02 0.52 0.14 -0.36 -0.31 0.00 0.00 175.10 175.07 2ju5 s PHE 112 N 0.51 3.34 0.13 2.82 0.08 0.18 -2.08 117.98 122.96 2ju5 s PHE 112 Ca -0.09 0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.22 2ju5 s PHE 112 Cb -0.16 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2ju5 s PHE 112 CO 0.04 0.13 -0.04 0.96 -0.10 0.00 0.00 175.22 176.22 2ju5 s ILE 113 N 0.81 0.72 0.77 0.64 -4.36 -0.45 0.98 121.20 120.32 2ju5 s ILE 113 Ca 0.07 -1.96 -0.03 0.00 -0.26 0.00 0.00 60.65 58.47 2ju5 s ILE 113 Cb -0.13 -1.87 0.15 0.00 1.25 0.00 0.00 42.46 41.86 2ju5 s ILE 113 CO 0.02 -0.70 1.06 -1.81 0.24 0.00 0.00 174.94 173.75 2ju5 s ASP 114 N -3.11 4.06 0.11 4.36 1.01 -0.43 -0.13 116.67 122.55 2ju5 s ASP 114 Ca 0.17 -0.37 0.17 0.00 0.71 0.00 0.00 52.55 53.23 2ju5 s ASP 114 Cb 0.05 0.11 0.72 0.00 1.01 0.00 0.00 42.92 44.81 2ju5 s ASP 114 CO -0.01 -2.07 1.52 0.00 0.21 0.00 0.00 175.17 174.82 2ju5 n ALA 115 N -3.00 1.56 0.78 5.23 0.00 -1.26 -1.60 120.51 122.22 2ju5 n ALA 115 Ca 0.16 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2ju5 n ALA 115 Cb 0.61 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.80 2.28 -0.73 0.00 1.02 -1.26 -4.81 120.64 115.33 2ju5 n GLU 116 Ca 0.02 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.27 2ju5 n GLU 116 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.38 0.60 3.79 0.62 0.00 -0.63 -5.04 105.19 105.90 2ju5 n GLY 117 Ca 0.17 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.76 4.48 -0.20 1.61 1.02 -1.26 -4.81 119.74 119.84 2ju5 s LYS 118 Ca 0.00 1.18 -0.27 0.00 0.02 0.00 0.00 55.97 56.90 2ju5 s LYS 118 Cb 0.00 -2.85 -0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2ju5 s LYS 118 CO 0.00 0.33 0.93 -1.14 -0.92 0.00 0.00 175.35 174.55 2ju5 s GLN 119 N -1.98 4.28 -0.16 1.68 0.74 -1.26 -1.31 119.66 121.64 2ju5 s GLN 119 Ca 0.47 1.18 -0.05 0.00 0.05 0.00 0.00 55.36 57.01 2ju5 s GLN 119 Cb -0.18 -3.61 -0.23 0.00 1.10 0.00 0.00 33.01 30.09 2ju5 s GLN 119 CO 0.23 -0.48 0.19 1.28 -0.55 0.00 0.00 175.29 175.97 2ju5 n LEU 120 N 5.76 2.72 -3.59 3.68 4.32 0.28 -4.97 117.00 125.19 2ju5 n LEU 120 Ca 0.08 0.12 0.01 0.00 -0.02 0.00 0.00 56.01 56.20 2ju5 n LEU 120 Cb 0.47 -1.06 -0.01 0.00 -1.62 0.00 0.00 43.42 41.21 2ju5 n LEU 120 CO 0.50 0.87 1.16 0.00 -1.22 0.00 0.00 177.39 178.69 2ju5 s ALA 121 N -2.54 -2.35 -0.08 -1.18 0.00 -1.09 -4.74 121.76 109.79 2ju5 s ALA 121 Ca -0.26 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 2ju5 s ALA 121 Cb 0.07 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2ju5 s ALA 121 CO 0.72 -0.90 0.30 -0.98 0.00 0.00 0.00 175.76 174.89 2ju5 s ARG 122 N -2.15 0.47 0.07 0.00 1.70 -1.26 0.50 118.95 118.28 2ju5 s ARG 122 Ca 0.14 0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.50 2ju5 s ARG 122 Cb 0.04 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2ju5 s ARG 122 CO -0.05 -0.09 0.12 -1.64 -1.08 0.00 0.00 175.30 172.56 2ju5 s MET 123 N -0.43 0.75 0.00 3.89 -1.94 0.91 -4.97 119.30 117.50 2ju5 s MET 123 Ca -0.05 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 2ju5 s MET 123 Cb -0.04 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2ju5 s MET 123 CO 0.02 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 2ju5 n GLY 124 N 0.11 5.20 3.70 -0.03 0.00 -1.26 0.15 105.19 113.05 2ju5 n GLY 124 Ca -0.15 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 3.18 3.57 -0.14 1.61 5.36 -1.24 -4.87 117.98 125.45 2ju5 s PHE 125 Ca 0.00 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.48 2ju5 s PHE 125 Cb 0.00 -3.09 0.07 0.00 -0.34 0.00 0.00 43.02 39.66 2ju5 s PHE 125 CO 0.00 -0.10 0.22 -2.00 -1.46 0.00 0.00 175.22 171.88 2ju5 s GLU 126 N 1.47 0.13 0.95 10.12 2.56 -1.26 -5.10 118.70 127.57 2ju5 s GLU 126 Ca 0.47 0.50 -0.12 0.00 0.00 0.00 0.00 54.97 55.83 2ju5 s GLU 126 Cb -0.19 -0.52 0.10 0.00 2.00 0.00 0.00 34.13 35.52 2ju5 s GLU 126 CO 0.21 -0.43 0.77 -2.30 -0.56 0.00 0.00 175.26 172.95 2ju5 n PRO 127 N 5.33 -0.48 0.00 4.30 -0.02 -1.26 -4.36 135.00 138.51 2ju5 n PRO 127 Ca -0.05 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2ju5 n PRO 127 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.92 1.47 0.00 -1.23 0.00 -1.26 -4.95 105.19 100.13 2ju5 n GLY 128 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.23 0.26 -0.02 0.00 -1.26 -4.23 105.19 99.71 2ju5 n GLY 129 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 0.95 0.88 -0.02 0.00 -1.86 -2.27 103.07 100.76 2ju5 h GLY 130 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.64 2ju5 h GLY 130 CO 0.00 0.65 0.07 0.00 0.00 0.00 0.00 176.54 177.26 2ju5 h ALA 131 N 0.93 0.20 -0.67 3.60 0.00 -1.92 -1.76 119.26 119.64 2ju5 h ALA 131 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2ju5 h ALA 131 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2ju5 h ALA 131 CO 0.03 -0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.11 2ju5 h ALA 132 N 1.10 1.07 -0.57 0.00 0.00 -1.72 -2.81 119.26 116.32 2ju5 h ALA 132 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2ju5 h ALA 132 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2ju5 h ALA 132 CO -0.07 0.62 0.24 -0.92 0.00 0.00 0.00 179.25 179.12 2ju5 h TYR 133 N 0.99 0.86 -0.36 0.00 5.03 -1.03 -2.76 116.97 119.70 2ju5 h TYR 133 Ca 0.21 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.39 2ju5 h TYR 133 Cb 0.32 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 2ju5 h TYR 133 CO 0.02 0.69 -0.09 -0.39 -1.32 0.00 0.00 178.16 177.06 2ju5 h VAL 134 N 0.78 1.24 -0.81 1.81 -1.51 -1.22 -2.34 116.25 114.20 2ju5 h VAL 134 Ca 0.19 -1.04 0.01 0.00 -1.23 0.00 0.00 66.70 64.63 2ju5 h VAL 134 Cb 0.19 1.07 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 2ju5 h VAL 134 CO -0.02 0.35 0.54 -1.28 -1.23 0.00 0.00 177.57 175.93 2ju5 h SER 135 N 0.56 0.92 -0.56 4.19 0.87 -1.24 -2.03 113.55 116.26 2ju5 h SER 135 Ca 0.10 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2ju5 h SER 135 Cb 0.50 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2ju5 h SER 135 CO 0.03 0.66 0.13 0.11 -0.53 0.00 0.00 176.83 177.23 2ju5 h LYS 136 N 1.08 0.91 -0.60 2.24 1.57 -1.24 -2.63 116.57 117.91 2ju5 h LYS 136 Ca 0.30 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 136 Cb -0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2ju5 h LYS 136 CO -0.07 0.85 0.08 -0.24 -0.57 0.00 0.00 179.45 179.50 2ju5 h VAL 137 N 0.81 1.25 -0.48 0.50 3.04 -1.16 -1.75 116.25 118.46 2ju5 h VAL 137 Ca 0.18 -1.01 0.02 0.00 -1.01 0.00 0.00 66.70 64.87 2ju5 h VAL 137 Cb 0.36 0.71 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 2ju5 h VAL 137 CO 0.00 0.37 0.30 0.11 -1.01 0.00 0.00 177.57 177.34 2ju5 h LYS 138 N 0.93 0.58 -0.54 4.17 1.57 -1.19 -0.35 116.57 121.74 2ju5 h LYS 138 Ca 0.18 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2ju5 h LYS 138 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2ju5 h LYS 138 CO 0.01 0.39 0.02 1.03 -0.57 0.00 0.00 179.45 180.33 2ju5 h SER 139 N 0.60 0.92 -0.54 0.86 0.87 -1.24 -0.66 113.55 114.36 2ju5 h SER 139 Ca 0.19 -0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 2ju5 h SER 139 Cb -0.02 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 2ju5 h SER 139 CO -0.07 0.99 0.10 0.00 -0.53 0.00 0.00 176.83 177.32 2ju5 h ALA 140 N 0.96 1.08 -0.02 6.23 0.00 -0.95 -2.80 119.26 123.75 2ju5 h ALA 140 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ju5 h ALA 140 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ju5 h ALA 140 CO 0.02 0.60 -0.07 1.28 0.00 0.00 0.00 179.25 181.08 2ju5 n LEU 141 N -4.24 1.65 -3.24 0.00 4.32 -0.17 -4.83 117.00 110.49 2ju5 n LEU 141 Ca 0.04 -0.54 -0.16 0.00 -0.02 0.00 0.00 56.01 55.33 2ju5 n LEU 141 Cb 0.27 -0.02 0.08 0.00 -1.62 0.00 0.00 43.42 42.12 2ju5 n LEU 141 CO 0.41 0.28 0.11 0.29 -1.22 0.00 0.00 177.39 177.27 2ju5 n LYS 142 N 0.17 -6.20 -3.51 3.23 4.01 -0.40 -4.98 118.16 110.48 2ju5 n LYS 142 Ca 0.16 0.78 -0.38 0.00 -0.51 0.00 0.00 58.31 58.36 2ju5 n LYS 142 Cb 0.39 -5.60 -0.10 0.00 -0.51 0.00 0.00 35.03 29.22 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 -6.08 4.05 0.00 -0.35 1.02 -0.39 -5.05 118.68 111.88 2ju5 s LEU 143 Ca 0.05 0.17 0.11 0.00 0.02 0.00 0.00 54.13 54.47 2ju5 s LEU 143 Cb -0.02 -2.27 0.65 0.00 0.02 0.00 0.00 46.19 44.58 2ju5 s LEU 143 CO 0.67 -0.09 1.09 0.54 0.02 0.00 0.00 176.35 178.59