#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 s ARG 2 N 0.00 0.86 -0.10 0.00 0.52 -1.26 -5.14 118.95 113.82 2ju5 s ARG 2 Ca 0.00 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 2ju5 s ARG 2 Cb 0.00 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 2ju5 s ARG 2 CO 0.00 0.21 0.27 1.03 0.02 0.00 0.00 175.30 176.83 2ju5 s ARG 3 N -0.83 3.91 0.21 3.54 0.52 -1.26 -4.99 118.95 120.06 2ju5 s ARG 3 Ca 0.01 0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.25 2ju5 s ARG 3 Cb -0.07 -3.29 0.16 0.00 0.52 0.00 0.00 34.95 32.28 2ju5 s ARG 3 CO 0.01 0.54 1.80 0.00 0.02 0.00 0.00 175.30 177.66 2ju5 h ARG 4 N 5.59 1.17 -5.22 3.54 3.08 -2.01 -3.31 114.38 117.22 2ju5 h ARG 4 Ca -0.48 -0.18 -0.69 0.00 0.07 0.00 0.00 59.98 58.70 2ju5 h ARG 4 Cb 1.20 -0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 2ju5 h ARG 4 CO 0.66 0.91 2.49 0.00 -1.07 0.00 0.00 179.97 182.97 2ju5 n ALA 5 N -2.41 4.21 -0.12 0.04 0.00 -1.26 -4.73 120.51 116.25 2ju5 n ALA 5 Ca 0.08 -3.87 0.01 0.00 0.00 0.00 0.00 53.44 49.65 2ju5 n ALA 5 Cb 0.15 -3.57 0.29 0.00 0.00 0.00 0.00 19.45 16.31 2ju5 n ALA 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ju5 h SER 6 N 7.04 0.70 -1.58 0.00 0.02 -2.02 -3.44 113.55 114.28 2ju5 h SER 6 Ca 0.49 -0.05 -0.47 0.00 -0.84 0.00 0.00 61.79 60.92 2ju5 h SER 6 Cb 0.79 -0.18 0.06 0.00 0.14 0.00 0.00 62.40 63.21 2ju5 h SER 6 CO 1.60 0.56 0.00 -0.83 -1.14 0.00 0.00 176.83 177.02 2ju5 s GLY 7 N -3.54 1.76 0.59 -3.77 0.00 -1.26 -5.07 107.32 96.02 2ju5 s GLY 7 Ca -0.10 -1.88 -0.20 0.00 0.00 0.00 0.00 44.72 42.54 2ju5 s GLY 7 CO 0.77 -1.38 1.27 1.85 0.00 0.00 0.00 173.10 175.61 2ju5 s GLU 8 N -4.91 2.96 0.17 2.90 2.12 -1.26 -4.90 118.70 115.78 2ju5 s GLU 8 Ca 0.64 2.01 -0.32 0.00 0.36 0.00 0.00 54.97 57.66 2ju5 s GLU 8 Cb -0.06 -2.03 -0.11 0.00 0.26 0.00 0.00 34.13 32.19 2ju5 s GLU 8 CO 0.41 -1.26 1.75 1.21 -0.54 0.00 0.00 175.26 176.83 2ju5 s ASN 9 N -1.34 6.41 0.21 -1.70 3.84 -1.26 -4.89 114.94 116.21 2ju5 s ASN 9 Ca 0.76 2.81 -0.07 0.00 0.21 0.00 0.00 52.86 56.57 2ju5 s ASN 9 Cb -0.35 -2.59 0.15 0.00 -0.55 0.00 0.00 41.25 37.91 2ju5 s ASN 9 CO 0.39 -0.98 1.72 0.25 -2.79 0.00 0.00 177.10 175.70 2ju5 h LEU 10 N 7.47 1.03 -0.99 3.21 5.85 -2.02 -2.89 115.31 126.97 2ju5 h LEU 10 Ca -0.44 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.06 2ju5 h LEU 10 Cb 1.21 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2ju5 h LEU 10 CO 0.95 1.01 0.64 -0.61 -0.34 0.00 0.00 178.44 180.09 2ju5 h GLN 11 N 1.03 1.32 -6.23 1.25 4.15 -2.03 -3.40 115.11 111.19 2ju5 h GLN 11 Ca 0.21 -0.09 -0.56 0.00 0.77 0.00 0.00 58.65 58.98 2ju5 h GLN 11 Cb 0.39 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 2ju5 h GLN 11 CO 0.01 0.88 0.66 -0.65 -1.93 0.00 0.00 178.83 177.80 2ju5 s GLN 12 N -6.08 4.37 -0.09 1.69 -0.21 -1.09 -5.02 119.66 113.23 2ju5 s GLN 12 Ca -0.13 1.46 0.01 0.00 0.02 0.00 0.00 55.36 56.72 2ju5 s GLN 12 Cb 0.18 -3.58 0.02 0.00 1.00 0.00 0.00 33.01 30.63 2ju5 s GLN 12 CO 0.82 -0.42 -0.11 0.99 -2.12 0.00 0.00 175.29 174.45 2ju5 s THR 13 N 2.36 1.14 -0.50 -0.19 2.01 -1.26 -4.78 115.64 114.41 2ju5 s THR 13 Ca 0.49 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.11 2ju5 s THR 13 Cb -0.19 -1.08 0.18 0.00 0.01 0.00 0.00 72.50 71.42 2ju5 s THR 13 CO 0.16 0.37 0.42 0.54 -0.69 0.00 0.00 174.62 175.42 2ju5 n ARG 14 N 4.24 0.81 -2.46 4.92 1.74 -1.26 -5.12 116.66 119.52 2ju5 n ARG 14 Ca -0.19 -3.61 -0.32 0.00 -0.77 0.00 0.00 57.85 52.95 2ju5 n ARG 14 Cb 0.51 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.62 3.95 0.16 5.56 0.04 -1.26 -4.98 135.00 137.85 2ju5 s PRO 15 Ca 0.31 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 2ju5 s PRO 15 Cb 0.04 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2ju5 s PRO 15 CO -0.17 -0.27 1.73 0.82 0.04 0.00 0.00 177.00 179.14 2ju5 h ILE 16 N 1.10 1.21 -2.97 0.56 2.04 -2.08 -3.44 117.51 113.92 2ju5 h ILE 16 Ca -0.47 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.66 2ju5 h ILE 16 Cb 1.19 0.65 -0.21 0.00 -0.74 0.00 0.00 36.82 37.71 2ju5 h ILE 16 CO 0.61 0.24 -0.26 0.00 0.00 0.00 0.00 178.15 178.73 2ju5 s ALA 17 N -5.63 -0.83 0.00 1.87 0.00 -1.26 -5.04 121.76 110.87 2ju5 s ALA 17 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2ju5 s ALA 17 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2ju5 s ALA 17 CO 0.77 -0.25 0.57 0.00 0.00 0.00 0.00 175.76 176.86 2ju5 n ALA 18 N 1.54 1.73 -1.76 0.00 0.00 -1.26 -5.11 120.51 115.64 2ju5 n ALA 18 Ca -0.20 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.48 2ju5 n ALA 18 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2ju5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 s ALA 19 N 0.00 3.36 -1.69 0.00 0.00 -1.26 -4.93 121.76 117.23 2ju5 s ALA 19 Ca 0.00 0.99 0.19 0.00 0.00 0.00 0.00 51.96 53.14 2ju5 s ALA 19 Cb 0.00 -3.37 0.52 0.00 0.00 0.00 0.00 23.12 20.27 2ju5 s ALA 19 CO 0.00 -0.35 1.43 -1.71 0.00 0.00 0.00 175.76 175.13 2ju5 n ASN 20 N 0.80 3.59 -4.75 0.00 5.15 -1.26 -4.97 115.26 113.82 2ju5 n ASN 20 Ca 0.01 -1.99 -0.40 0.00 -0.60 0.00 0.00 54.58 51.59 2ju5 n ASN 20 Cb 0.45 -0.39 -0.05 0.00 -0.53 0.00 0.00 39.78 39.26 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2ju5 s LEU 21 N -1.04 4.57 -0.42 1.20 2.96 -1.26 -5.02 118.68 119.67 2ju5 s LEU 21 Ca 0.40 2.06 -0.14 0.00 -0.22 0.00 0.00 54.13 56.23 2ju5 s LEU 21 Cb 0.21 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.33 2ju5 s LEU 21 CO 0.28 -0.05 0.30 -1.10 -1.32 0.00 0.00 176.35 174.46 2ju5 s GLN 22 N -0.93 2.91 0.21 1.98 -0.21 -1.26 -5.06 119.66 117.30 2ju5 s GLN 22 Ca 0.45 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 2ju5 s GLN 22 Cb -0.28 -3.95 -0.08 0.00 1.00 0.00 0.00 33.01 29.70 2ju5 s GLN 22 CO 0.35 -0.82 1.01 -1.58 -2.12 0.00 0.00 175.29 172.13 2ju5 s TRP 23 N 1.62 3.79 0.27 0.91 0.51 -1.26 -4.59 118.94 120.19 2ju5 s TRP 23 Ca 0.04 1.79 0.08 0.00 -2.12 0.00 0.00 56.10 55.89 2ju5 s TRP 23 Cb -0.21 -3.12 -0.06 0.00 -0.81 0.00 0.00 33.47 29.28 2ju5 s TRP 23 CO 0.08 -0.01 -0.10 -1.21 -0.51 0.00 0.00 176.95 175.20 2ju5 s GLU 24 N -0.83 1.56 0.58 4.98 2.02 -1.03 -5.07 118.70 120.91 2ju5 s GLU 24 Ca 0.45 -1.76 -0.14 0.00 0.02 0.00 0.00 54.97 53.54 2ju5 s GLU 24 Cb -0.27 -1.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 2ju5 s GLU 24 CO 0.34 0.13 1.01 -1.12 0.02 0.00 0.00 175.26 175.64 2ju5 s SER 25 N -3.45 6.32 0.22 -0.19 0.01 -1.26 -4.41 113.70 110.94 2ju5 s SER 25 Ca 0.28 1.52 -0.08 0.00 1.31 0.00 0.00 55.95 58.98 2ju5 s SER 25 Cb 0.01 -2.49 0.23 0.00 0.21 0.00 0.00 66.02 63.99 2ju5 s SER 25 CO 0.12 -0.80 1.86 0.22 0.41 0.00 0.00 173.24 175.05 2ju5 h TYR 26 N 0.21 0.92 -0.29 2.43 3.20 -1.94 0.29 116.97 121.80 2ju5 h TYR 26 Ca -0.45 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.33 2ju5 h TYR 26 Cb 1.19 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2ju5 h TYR 26 CO 0.64 0.52 -0.27 0.00 -1.64 0.00 0.00 178.16 177.41 2ju5 h ALA 27 N 1.34 0.97 -0.39 1.82 0.00 -2.00 -2.75 119.26 118.25 2ju5 h ALA 27 Ca 0.32 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2ju5 h ALA 27 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ju5 h ALA 27 CO -0.12 0.60 -0.32 0.93 0.00 0.00 0.00 179.25 180.34 2ju5 h GLU 28 N 0.51 0.87 -0.36 0.00 5.08 -1.58 -2.59 114.58 116.51 2ju5 h GLU 28 Ca 0.07 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2ju5 h GLU 28 Cb 0.74 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2ju5 h GLU 28 CO 0.06 1.06 0.24 0.00 -1.00 0.00 0.00 179.01 179.37 2ju5 h ALA 29 N 0.90 0.45 -0.59 3.43 0.00 -0.26 -1.43 119.26 121.77 2ju5 h ALA 29 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2ju5 h ALA 29 Cb 0.88 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2ju5 h ALA 29 CO 0.08 -0.09 0.15 -0.07 0.00 0.00 0.00 179.25 179.32 2ju5 h LEU 30 N 0.48 0.88 -0.62 0.00 3.38 -1.46 0.42 115.31 118.39 2ju5 h LEU 30 Ca 0.13 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2ju5 h LEU 30 CO -0.03 0.88 0.37 -0.33 0.09 0.00 0.00 178.44 179.42 2ju5 h GLU 31 N 0.84 0.70 -0.34 1.13 5.08 -1.16 0.23 114.58 121.06 2ju5 h GLU 31 Ca 0.19 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2ju5 h GLU 31 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2ju5 h GLU 31 CO 0.00 0.46 -0.21 0.45 -1.00 0.00 0.00 179.01 178.72 2ju5 h HIS 32 N 0.72 0.87 -0.42 4.33 3.86 -0.94 -3.14 115.15 120.42 2ju5 h HIS 32 Ca 0.26 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2ju5 h HIS 32 Cb 0.06 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2ju5 h HIS 32 CO -0.06 0.96 0.04 0.77 0.86 0.00 0.00 177.93 180.50 2ju5 h SER 33 N 0.52 0.62 -0.17 2.45 0.02 -0.21 1.76 113.55 118.53 2ju5 h SER 33 Ca 0.07 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2ju5 h SER 33 Cb 0.76 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2ju5 h SER 33 CO 0.06 0.66 0.12 0.11 -1.14 0.00 0.00 176.83 176.64 2ju5 h LYS 34 N 0.63 0.11 0.01 3.45 1.57 -0.52 1.46 116.57 123.28 2ju5 h LYS 34 Ca 0.14 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.52 2ju5 h LYS 34 Cb 0.33 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 2ju5 h LYS 34 CO 0.01 0.07 -2.45 1.04 -0.57 0.00 0.00 179.45 177.55 2ju5 n GLN 35 N -4.50 0.66 0.05 3.15 6.02 -0.53 -4.57 117.38 117.65 2ju5 n GLN 35 Ca 0.00 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 2ju5 n GLN 35 Cb 0.17 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 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 -3.25 0.54 -0.20 1.08 8.00 0.59 -4.97 116.55 118.34 2ju5 n ASP 36 Ca -0.45 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.06 2ju5 n ASP 36 Cb 1.00 0.98 -0.01 0.00 -0.02 0.00 0.00 41.12 43.07 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 -2.30 0.00 -2.66 1.24 8.25 0.50 -4.96 115.22 115.29 2ju5 n HIS 37 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 2ju5 n HIS 37 Cb 0.51 -1.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.25 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 -1.51 4.47 0.61 -0.41 1.02 -1.26 -4.90 119.74 117.76 2ju5 s LYS 38 Ca 0.00 1.46 -0.17 0.00 0.02 0.00 0.00 55.97 57.29 2ju5 s LYS 38 Cb 0.00 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2ju5 s LYS 38 CO 0.00 0.14 1.11 -1.25 -0.92 0.00 0.00 175.35 174.43 2ju5 s PRO 39 N -2.07 3.09 -0.18 -1.68 0.04 -1.26 -4.59 135.00 128.36 2ju5 s PRO 39 Ca 0.51 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.95 2ju5 s PRO 39 Cb -0.22 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2ju5 s PRO 39 CO 0.28 -1.03 -0.02 0.42 0.04 0.00 0.00 177.00 176.69 2ju5 s ILE 40 N -2.15 3.94 -0.32 0.56 1.01 0.44 -2.09 121.20 122.59 2ju5 s ILE 40 Ca 0.68 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 2ju5 s ILE 40 Cb -0.21 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2ju5 s ILE 40 CO 0.35 0.46 0.14 -0.83 0.00 0.00 0.00 174.94 175.07 2ju5 s GLY 41 N 0.65 1.86 -0.29 6.18 0.00 -0.13 -2.10 107.32 113.50 2ju5 s GLY 41 Ca -0.01 -1.46 -0.16 0.00 0.00 0.00 0.00 44.72 43.09 2ju5 s GLY 41 CO 0.02 0.71 0.42 1.08 0.00 0.00 0.00 173.10 175.33 2ju5 s LEU 42 N 1.57 4.12 -0.52 0.66 1.02 -1.08 -0.89 118.68 123.57 2ju5 s LEU 42 Ca 0.04 0.24 -0.19 0.00 0.02 0.00 0.00 54.13 54.23 2ju5 s LEU 42 Cb -0.17 -2.49 0.06 0.00 0.02 0.00 0.00 46.19 43.61 2ju5 s LEU 42 CO 0.05 -0.26 0.65 0.12 0.02 0.00 0.00 176.35 176.93 2ju5 s PHE 43 N 2.16 3.03 -0.25 0.29 5.36 -0.01 -3.33 117.98 125.22 2ju5 s PHE 43 Ca 0.16 -0.55 -0.15 0.00 -0.96 0.00 0.00 56.93 55.43 2ju5 s PHE 43 Cb -0.16 -3.61 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 2ju5 s PHE 43 CO 0.10 -1.08 0.38 -0.06 -1.46 0.00 0.00 175.22 173.11 2ju5 s PHE 44 N 2.71 3.27 0.22 10.12 0.08 -0.96 -0.48 117.98 132.94 2ju5 s PHE 44 Ca 0.16 0.46 -0.05 0.00 0.12 0.00 0.00 56.93 57.61 2ju5 s PHE 44 Cb -0.19 -2.57 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2ju5 s PHE 44 CO 0.12 -0.18 0.38 0.25 -0.10 0.00 0.00 175.22 175.69 2ju5 n THR 45 N 4.95 0.00 -3.67 0.64 -2.24 -0.82 -2.66 114.28 110.48 2ju5 n THR 45 Ca -0.08 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 2ju5 n THR 45 Cb 0.51 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 2ju5 n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 46 N -2.21 1.61 0.42 3.38 0.00 -1.26 0.77 107.32 110.03 2ju5 s GLY 46 Ca 0.12 -2.56 0.14 0.00 0.00 0.00 0.00 44.72 42.42 2ju5 s GLY 46 CO 0.09 1.63 1.95 1.76 0.00 0.00 0.00 173.10 178.52 2ju5 h SER 47 N 6.61 0.42 -0.01 1.64 0.02 -1.88 -1.09 113.55 119.26 2ju5 h SER 47 Ca 0.03 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 0.46 0.24 -0.37 0.47 -1.14 0.00 0.00 176.83 176.49 2ju5 n ASP 48 N -4.48 1.73 0.00 3.07 8.00 -1.26 -4.74 116.55 118.87 2ju5 n ASP 48 Ca 0.12 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2ju5 n ASP 48 Cb 0.43 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 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 -0.09 0.00 -3.38 1.24 4.27 -1.12 -4.85 117.44 113.51 2ju5 n TRP 49 Ca 0.07 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.31 2ju5 n TRP 49 Cb 0.37 0.00 -0.06 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 n MET 51 N 3.58 0.72 0.25 0.00 1.56 -1.26 -3.53 117.12 118.45 2ju5 n MET 51 Ca -0.09 0.31 0.08 0.00 -0.27 0.00 0.00 57.70 57.73 2ju5 n MET 51 Cb 0.52 -1.70 0.64 0.00 2.15 0.00 0.00 33.22 34.82 2ju5 n MET 51 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 2ju5 h TRP 52 N -0.12 0.00 -0.39 1.12 4.06 -1.93 -0.37 115.95 118.32 2ju5 h TRP 52 Ca -0.43 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.41 2ju5 h TRP 52 Cb 1.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.06 2ju5 h TRP 52 CO 0.08 0.05 -0.21 0.00 -3.56 0.00 0.00 178.44 174.79 2ju5 h ILE 54 N 0.63 1.18 -0.44 0.00 2.04 -1.17 0.25 117.51 120.00 2ju5 h ILE 54 Ca 0.08 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ju5 h ILE 54 Cb 0.77 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2ju5 h ILE 54 CO 0.06 0.20 0.25 0.11 0.00 0.00 0.00 178.15 178.76 2ju5 h LYS 55 N 0.73 0.60 -0.29 2.37 1.79 -0.89 2.36 116.57 123.23 2ju5 h LYS 55 Ca 0.19 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 2ju5 h LYS 55 Cb 0.05 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2ju5 h LYS 55 CO -0.03 0.47 0.13 1.98 -1.08 0.00 0.00 179.45 180.92 2ju5 h MET 56 N 0.57 0.43 -0.12 3.15 4.05 -0.65 0.65 114.93 123.02 2ju5 h MET 56 Ca 0.15 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2ju5 h MET 56 Cb 0.03 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2ju5 h MET 56 CO -0.03 0.43 -0.02 0.37 0.23 0.00 0.00 176.91 177.90 2ju5 h GLN 57 N 0.33 0.22 -0.24 0.39 4.15 -0.15 0.29 115.11 120.10 2ju5 h GLN 57 Ca 0.10 -0.08 -0.15 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 57 Cb 0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2ju5 h GLN 57 CO -0.01 0.50 -0.48 0.22 -1.93 0.00 0.00 178.83 177.14 2ju5 h ASP 58 N -0.08 0.69 0.66 -0.69 1.82 0.41 -1.79 116.42 117.44 2ju5 h ASP 58 Ca 0.03 -0.34 -0.17 0.00 -0.39 0.00 0.00 57.03 56.16 2ju5 h ASP 58 Cb 0.42 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 2ju5 h ASP 58 CO 0.01 1.06 -1.47 0.00 -1.61 0.00 0.00 179.24 177.23 2ju5 n GLN 59 N -4.00 0.62 -0.01 0.28 1.13 0.23 -4.45 117.38 111.19 2ju5 n GLN 59 Ca -0.03 0.21 -0.04 0.00 -1.94 0.00 0.00 57.00 55.20 2ju5 n GLN 59 Cb 0.57 -1.79 -0.01 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.87 0.76 -0.33 5.09 5.41 0.98 -3.45 119.36 124.94 2ju5 n ILE 60 Ca -0.10 0.11 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2ju5 n ILE 60 Cb 0.85 -1.66 0.09 0.00 -0.71 0.00 0.00 39.64 38.21 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 1.04 -1.24 1.39 -0.00 -1.28 -2.29 115.31 112.72 2ju5 h LEU 61 Ca -0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2ju5 h LEU 61 Cb 0.73 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2ju5 h LEU 61 CO -0.05 0.75 0.00 0.00 -0.00 0.00 0.00 178.44 179.14 2ju5 n GLN 62 N -4.46 1.81 -2.66 1.13 6.02 -0.69 -4.36 117.38 114.17 2ju5 n GLN 62 Ca 0.10 -1.22 -0.33 0.00 -0.01 0.00 0.00 57.00 55.54 2ju5 n GLN 62 Cb 0.01 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.45 6.81 0.19 1.08 1.04 -0.86 -4.90 113.70 115.61 2ju5 s SER 63 Ca 0.31 1.63 -0.12 0.00 0.48 0.00 0.00 55.95 58.25 2ju5 s SER 63 Cb 0.17 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.87 2ju5 s SER 63 CO 0.25 -0.45 1.85 0.28 0.98 0.00 0.00 173.24 176.15 2ju5 h SER 64 N 1.52 0.72 -0.46 7.02 0.02 -1.91 -1.37 113.55 119.09 2ju5 h SER 64 Ca -0.48 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2ju5 h SER 64 Cb 1.18 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2ju5 h SER 64 CO 0.61 0.54 0.12 -0.33 -1.14 0.00 0.00 176.83 176.63 2ju5 h GLU 65 N 0.84 0.72 -0.42 3.45 4.39 -1.92 -0.86 114.58 120.79 2ju5 h GLU 65 Ca 0.23 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 2ju5 h GLU 65 Cb -0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2ju5 h GLU 65 CO -0.05 0.71 -0.10 0.35 -1.16 0.00 0.00 179.01 178.76 2ju5 h PHE 66 N 0.60 0.92 -0.54 4.33 3.57 -1.75 -0.32 116.94 123.75 2ju5 h PHE 66 Ca 0.14 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2ju5 h PHE 66 Cb 0.31 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2ju5 h PHE 66 CO 0.02 0.93 0.27 0.87 -2.23 0.00 0.00 178.31 178.17 2ju5 h LYS 67 N 0.64 0.77 -0.22 1.11 1.57 -1.14 0.45 116.57 119.75 2ju5 h LYS 67 Ca 0.11 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2ju5 h LYS 67 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2ju5 h LYS 67 CO 0.04 0.63 -0.01 1.25 -0.57 0.00 0.00 179.45 180.79 2ju5 h HIS 68 N 0.73 0.43 -0.22 -1.35 2.76 -1.06 0.25 115.15 116.69 2ju5 h HIS 68 Ca 0.19 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2ju5 h HIS 68 Cb 0.10 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2ju5 h HIS 68 CO -0.01 0.59 0.12 0.35 -1.30 0.00 0.00 177.93 177.68 2ju5 h PHE 69 N 0.15 0.30 -0.40 5.26 3.57 -0.84 -2.36 116.94 122.63 2ju5 h PHE 69 Ca 0.06 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2ju5 h PHE 69 Cb 0.42 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ju5 h PHE 69 CO 0.04 0.26 -0.08 0.00 -2.23 0.00 0.00 178.31 176.30 2ju5 h ALA 70 N 1.01 1.12 -0.45 2.41 0.00 -0.02 0.13 119.26 123.46 2ju5 h ALA 70 Ca 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2ju5 h ALA 70 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2ju5 h ALA 70 CO -0.01 0.56 -0.06 0.78 0.00 0.00 0.00 179.25 180.51 2ju5 h GLY 71 N 0.96 0.83 0.29 0.00 0.00 -0.29 -0.55 103.07 104.31 2ju5 h GLY 71 Ca 0.12 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 2ju5 h GLY 71 CO 0.03 0.54 -0.91 -2.08 0.00 0.00 0.00 176.54 174.12 2ju5 h VAL 72 N 0.71 1.28 -0.01 4.60 2.07 -1.19 -3.42 116.25 120.29 2ju5 h VAL 72 Ca 0.13 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2ju5 h VAL 72 Cb 0.52 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2ju5 h VAL 72 CO 0.03 0.59 -0.21 1.41 0.02 0.00 0.00 177.57 179.41 2ju5 n HIS 73 N -4.26 0.00 -4.20 1.57 -0.00 0.42 -5.07 115.22 103.69 2ju5 n HIS 73 Ca -0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.39 2ju5 n HIS 73 Cb 0.72 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.61 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 -1.65 2.02 -0.19 2.41 1.02 -0.21 -4.41 118.68 117.65 2ju5 s LEU 74 Ca 0.11 -1.17 -0.03 0.00 0.02 0.00 0.00 54.13 53.06 2ju5 s LEU 74 Cb 0.10 0.10 -0.01 0.00 0.02 0.00 0.00 46.19 46.40 2ju5 s LEU 74 CO 0.28 -0.63 -0.07 -1.00 0.02 0.00 0.00 176.35 174.96 2ju5 s HIS 75 N -3.82 2.93 -0.09 0.29 3.76 -0.89 -4.56 115.29 112.91 2ju5 s HIS 75 Ca 0.23 -0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 54.27 2ju5 s HIS 75 Cb 0.07 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 2ju5 s HIS 75 CO 0.02 -0.44 0.00 -1.64 -0.85 0.00 0.00 174.74 171.83 2ju5 s MET 76 N 1.14 3.04 -0.05 1.40 1.00 -1.26 -0.95 119.30 123.62 2ju5 s MET 76 Ca 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 55.69 55.33 2ju5 s MET 76 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 34.83 31.88 2ju5 s MET 76 CO -0.01 0.68 -0.13 0.08 0.00 0.00 0.00 175.02 175.63 2ju5 s VAL 77 N -0.80 1.15 -0.22 -6.03 1.01 -0.07 -2.46 120.40 112.98 2ju5 s VAL 77 Ca 0.12 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2ju5 s VAL 77 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2ju5 s VAL 77 CO 0.02 0.35 0.31 -0.70 0.00 0.00 0.00 175.10 175.08 2ju5 s GLU 78 N 0.34 4.13 -0.38 2.72 2.12 -1.26 -0.83 118.70 125.55 2ju5 s GLU 78 Ca -0.08 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.29 2ju5 s GLU 78 Cb -0.13 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 30.84 2ju5 s GLU 78 CO 0.02 -0.01 0.17 0.08 -0.54 0.00 0.00 175.26 174.98 2ju5 s VAL 79 N 1.24 1.15 -0.01 3.70 1.01 0.36 -4.90 120.40 122.95 2ju5 s VAL 79 Ca 0.15 -2.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.11 2ju5 s VAL 79 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2ju5 s VAL 79 CO 0.07 -0.80 0.07 -1.81 0.00 0.00 0.00 175.10 172.63 2ju5 s ASP 80 N 0.95 5.59 -0.60 3.32 1.01 -1.26 -1.94 116.67 123.75 2ju5 s ASP 80 Ca 0.14 0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.59 2ju5 s ASP 80 Cb -0.21 -1.59 0.20 0.00 1.01 0.00 0.00 42.92 42.32 2ju5 s ASP 80 CO -0.11 0.28 0.53 0.49 0.21 0.00 0.00 175.17 176.58 2ju5 n PHE 81 N 1.30 2.11 -1.70 4.23 3.72 0.23 -4.93 117.46 122.43 2ju5 n PHE 81 Ca -0.14 -3.99 -0.30 0.00 -0.05 0.00 0.00 57.45 52.97 2ju5 n PHE 81 Cb 0.53 -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 -1.39 2.67 0.08 -1.08 0.04 -1.26 -4.35 135.00 129.71 2ju5 s PRO 82 Ca 0.31 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2ju5 s PRO 82 Cb 0.05 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 2ju5 s PRO 82 CO -0.13 -1.22 1.28 -0.56 0.04 0.00 0.00 177.00 176.41 2ju5 h GLN 83 N -0.79 0.68 -4.23 4.56 3.07 -1.95 -3.38 115.11 113.07 2ju5 h GLN 83 Ca -0.45 -0.54 -0.75 0.00 0.09 0.00 0.00 58.65 57.00 2ju5 h GLN 83 Cb 1.24 0.11 -0.23 0.00 0.08 0.00 0.00 27.48 28.68 2ju5 h GLN 83 CO 0.61 1.16 -0.22 0.21 0.09 0.00 0.00 178.83 180.67 2ju5 s LYS 84 N -3.76 3.00 -0.24 0.06 2.20 -1.26 -5.03 119.74 114.71 2ju5 s LYS 84 Ca -0.11 -1.54 -0.23 0.00 -0.36 0.00 0.00 55.97 53.73 2ju5 s LYS 84 Cb 0.07 -4.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.14 2ju5 s LYS 84 CO 0.87 -1.25 0.74 -0.80 -0.36 0.00 0.00 175.35 174.55 2ju5 s ASN 85 N 3.27 6.74 -0.04 1.43 0.01 -1.26 -4.89 114.94 120.20 2ju5 s ASN 85 Ca 0.04 0.91 0.05 0.00 -0.71 0.00 0.00 52.86 53.16 2ju5 s ASN 85 Cb -0.27 -2.39 0.08 0.00 0.41 0.00 0.00 41.25 39.07 2ju5 s ASN 85 CO 0.05 -0.43 0.95 1.41 -1.51 0.00 0.00 177.10 177.56 2ju5 n HIS 86 N 5.74 0.00 -2.59 2.20 8.25 -1.26 -5.06 115.22 122.50 2ju5 n HIS 86 Ca 0.03 -0.48 -0.31 0.00 -0.26 0.00 0.00 57.72 56.70 2ju5 n HIS 86 Cb 0.48 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.20 3.86 0.69 -0.41 1.11 -1.26 -5.05 119.66 117.40 2ju5 s GLN 87 Ca 0.09 0.73 -0.14 0.00 0.01 0.00 0.00 55.36 56.04 2ju5 s GLN 87 Cb 0.08 -2.25 0.01 0.00 -1.01 0.00 0.00 33.01 29.84 2ju5 s GLN 87 CO 0.01 -0.18 1.12 -1.25 0.01 0.00 0.00 175.29 175.00 2ju5 s PRO 88 N -4.01 2.61 0.20 2.91 0.04 -1.26 -4.76 135.00 130.74 2ju5 s PRO 88 Ca 0.55 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2ju5 s PRO 88 Cb -0.10 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 32.77 2ju5 s PRO 88 CO 0.32 -1.40 1.68 0.93 0.04 0.00 0.00 177.00 178.58 2ju5 h GLU 89 N -0.20 0.16 -0.87 4.56 5.08 -1.98 -0.37 114.58 120.95 2ju5 h GLU 89 Ca -0.46 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2ju5 h GLU 89 Cb 1.25 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2ju5 h GLU 89 CO 0.53 0.11 0.54 0.93 -1.00 0.00 0.00 179.01 180.12 2ju5 h GLU 90 N 0.17 0.97 -0.37 2.33 5.08 -1.99 0.10 114.58 120.86 2ju5 h GLU 90 Ca 0.29 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 2ju5 h GLU 90 Cb 0.45 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ju5 h GLU 90 CO -0.44 0.64 -0.38 0.37 -1.00 0.00 0.00 179.01 178.20 2ju5 h GLN 91 N 1.00 0.89 -0.42 2.33 4.15 -1.69 -1.83 115.11 119.54 2ju5 h GLN 91 Ca 0.37 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2ju5 h GLN 91 Cb 0.15 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2ju5 h GLN 91 CO -0.17 1.11 0.05 0.00 -1.93 0.00 0.00 178.83 177.89 2ju5 h ARG 92 N 0.73 0.71 -0.47 1.69 3.08 -0.38 -0.70 114.38 119.04 2ju5 h ARG 92 Ca 0.06 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2ju5 h ARG 92 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2ju5 h ARG 92 CO 0.09 0.76 0.14 1.96 -1.07 0.00 0.00 179.97 181.85 2ju5 h GLN 93 N 0.56 0.74 -0.25 0.04 1.08 -0.78 -2.52 115.11 113.98 2ju5 h GLN 93 Ca 0.13 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2ju5 h GLN 93 Cb 0.40 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2ju5 h GLN 93 CO 0.01 0.71 0.15 -0.22 -0.95 0.00 0.00 178.83 178.53 2ju5 h LYS 94 N 0.63 0.34 -0.96 1.46 3.64 -1.21 -2.21 116.57 118.27 2ju5 h LYS 94 Ca 0.15 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 2ju5 h LYS 94 Cb 0.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2ju5 h LYS 94 CO -0.00 0.28 0.62 -0.91 -2.27 0.00 0.00 179.45 177.17 2ju5 h ASN 95 N 0.31 0.99 -0.41 4.20 2.35 -1.01 -1.65 115.58 120.36 2ju5 h ASN 95 Ca 0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 2ju5 h ASN 95 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2ju5 h ASN 95 CO -0.02 0.64 -0.20 1.56 -1.65 0.00 0.00 177.43 177.76 2ju5 h GLN 96 N 1.12 0.91 -0.57 0.81 4.20 -1.15 -0.61 115.11 119.81 2ju5 h GLN 96 Ca 0.41 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2ju5 h GLN 96 Cb 0.15 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2ju5 h GLN 96 CO -0.15 1.02 0.28 0.93 -0.67 0.00 0.00 178.83 180.24 2ju5 h GLU 97 N 0.79 0.83 -0.59 1.46 5.08 -0.74 -0.94 114.58 120.46 2ju5 h GLU 97 Ca 0.11 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2ju5 h GLU 97 Cb 0.75 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ju5 h GLU 97 CO 0.06 0.67 0.01 -0.07 -1.00 0.00 0.00 179.01 178.67 2ju5 h LEU 98 N 0.78 1.00 -1.03 1.33 4.07 -1.17 1.04 115.31 121.33 2ju5 h LEU 98 Ca 0.20 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2ju5 h LEU 98 Cb 0.11 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 2ju5 h LEU 98 CO -0.03 1.05 0.47 0.50 -1.08 0.00 0.00 178.44 179.36 2ju5 h LYS 99 N 0.94 1.15 0.17 1.13 3.64 -0.71 0.39 116.57 123.28 2ju5 h LYS 99 Ca 0.17 -0.12 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 2ju5 h LYS 99 Cb 0.54 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2ju5 h LYS 99 CO 0.03 0.83 -1.52 0.00 -2.27 0.00 0.00 179.45 176.51 2ju5 h ALA 100 N 1.36 0.12 -0.67 5.00 0.00 -0.79 0.43 119.26 124.71 2ju5 h ALA 100 Ca 0.30 -1.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 2ju5 h ALA 100 Cb -0.00 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2ju5 h ALA 100 CO -0.05 0.98 0.10 0.37 0.00 0.00 0.00 179.25 180.66 2ju5 h GLN 101 N 0.10 1.10 -0.24 0.00 4.15 0.14 -2.17 115.11 118.19 2ju5 h GLN 101 Ca -0.25 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2ju5 h GLN 101 Cb 2.06 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.63 2ju5 h GLN 101 CO 0.20 1.01 0.00 0.66 -1.93 0.00 0.00 178.83 178.77 2ju5 n TYR 102 N -4.21 0.31 -3.78 3.99 4.02 0.10 -4.93 117.16 112.66 2ju5 n TYR 102 Ca 0.04 -0.15 -0.23 0.00 -0.01 0.00 0.00 57.90 57.55 2ju5 n TYR 102 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.49 -4.45 -3.16 -0.72 5.02 -0.82 -4.93 118.16 109.60 2ju5 n LYS 103 Ca 0.16 0.56 -0.40 0.00 -2.02 0.00 0.00 58.31 56.61 2ju5 n LYS 103 Cb 0.35 -5.00 -0.06 0.00 -0.02 0.00 0.00 35.03 30.30 2ju5 n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ju5 s VAL 104 N -3.74 5.06 -0.00 -0.18 1.01 0.15 -4.91 120.40 117.79 2ju5 s VAL 104 Ca 0.02 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 2ju5 s VAL 104 Cb -0.01 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2ju5 s VAL 104 CO 0.83 0.17 -0.01 0.35 0.00 0.00 0.00 175.10 176.44 2ju5 n THR 105 N 4.42 0.12 -4.02 3.92 -2.24 -1.26 -4.74 114.28 110.48 2ju5 n THR 105 Ca -0.03 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 2ju5 n THR 105 Cb 0.50 -1.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.16 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 106 N -4.96 2.05 0.10 3.38 0.00 -1.26 -5.12 107.32 101.51 2ju5 s GLY 106 Ca -0.01 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.80 2ju5 s GLY 106 CO 0.01 -0.96 -0.17 -0.11 0.00 0.00 0.00 173.10 171.88 2ju5 s PHE 107 N -1.42 1.50 0.30 1.90 -0.12 -1.26 -4.00 117.98 114.87 2ju5 s PHE 107 Ca 0.31 -0.46 -0.28 0.00 -0.05 0.00 0.00 56.93 56.45 2ju5 s PHE 107 Cb -0.12 -0.82 -0.09 0.00 -0.63 0.00 0.00 43.02 41.35 2ju5 s PHE 107 CO 0.23 0.14 0.99 -1.25 -0.05 0.00 0.00 175.22 175.28 2ju5 s PRO 108 N -1.99 4.62 -0.05 1.99 0.04 -1.26 -4.74 135.00 133.60 2ju5 s PRO 108 Ca 0.04 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 2ju5 s PRO 108 Cb -0.09 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.50 2ju5 s PRO 108 CO 0.03 0.28 0.00 -2.00 0.04 0.00 0.00 177.00 175.36 2ju5 s GLU 109 N -1.74 0.45 -0.20 4.56 2.12 -1.09 -4.00 118.70 118.79 2ju5 s GLU 109 Ca 0.47 0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 2ju5 s GLU 109 Cb -0.24 -0.72 -0.00 0.00 0.26 0.00 0.00 34.13 33.43 2ju5 s GLU 109 CO 0.30 -0.21 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.54 2ju5 s LEU 110 N 1.50 2.65 -0.09 2.70 0.20 0.12 -2.27 118.68 123.49 2ju5 s LEU 110 Ca -0.03 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.36 2ju5 s LEU 110 Cb -0.13 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.97 2ju5 s LEU 110 CO -0.03 0.00 -0.19 0.68 -0.29 0.00 0.00 176.35 176.52 2ju5 s VAL 111 N 1.34 2.57 -0.21 1.68 -7.23 -1.21 -0.44 120.40 116.89 2ju5 s VAL 111 Ca 0.04 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2ju5 s VAL 111 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2ju5 s VAL 111 CO -0.06 0.56 0.11 -0.36 -0.31 0.00 0.00 175.10 175.05 2ju5 s PHE 112 N 0.04 3.29 0.13 2.82 0.08 0.64 -2.63 117.98 122.35 2ju5 s PHE 112 Ca -0.07 0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.16 2ju5 s PHE 112 Cb -0.15 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2ju5 s PHE 112 CO 0.05 0.10 -0.10 0.96 -0.10 0.00 0.00 175.22 176.13 2ju5 s ILE 113 N 0.75 1.07 0.66 0.64 -4.36 -0.89 -1.19 121.20 117.88 2ju5 s ILE 113 Ca 0.06 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2ju5 s ILE 113 Cb -0.13 -1.79 0.13 0.00 1.25 0.00 0.00 42.46 41.93 2ju5 s ILE 113 CO 0.02 -0.76 0.91 0.47 0.24 0.00 0.00 174.94 175.82 2ju5 n ASP 114 N -0.12 1.14 0.06 4.36 8.00 -0.58 -0.42 116.55 128.98 2ju5 n ASP 114 Ca -0.11 -1.98 0.09 0.00 0.71 0.00 0.00 54.79 53.50 2ju5 n ASP 114 Cb 0.60 -0.60 0.38 0.00 -0.02 0.00 0.00 41.12 41.49 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ju5 n ALA 115 N -2.97 1.59 1.10 2.24 0.00 -1.26 -1.38 120.51 119.83 2ju5 n ALA 115 Ca -0.15 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2ju5 n ALA 115 Cb 0.52 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.83 1.68 -0.71 0.00 1.02 -1.26 -4.80 120.64 114.72 2ju5 n GLU 116 Ca 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 2ju5 n GLU 116 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.35 0.59 3.76 0.62 0.00 -0.48 -5.04 105.19 105.98 2ju5 n GLY 117 Ca 0.13 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.06 4.65 -0.20 1.61 1.02 -1.26 -4.77 119.74 119.73 2ju5 s LYS 118 Ca 0.00 1.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.99 2ju5 s LYS 118 Cb 0.00 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2ju5 s LYS 118 CO 0.00 0.51 0.88 -1.14 -0.92 0.00 0.00 175.35 174.68 2ju5 s GLN 119 N -1.00 4.26 -0.20 1.68 0.74 -1.26 -1.53 119.66 122.36 2ju5 s GLN 119 Ca 0.38 1.08 0.17 0.00 0.05 0.00 0.00 55.36 57.04 2ju5 s GLN 119 Cb -0.24 -3.60 -0.24 0.00 1.10 0.00 0.00 33.01 30.03 2ju5 s GLN 119 CO 0.28 -0.44 0.05 1.28 -0.55 0.00 0.00 175.29 175.91 2ju5 n LEU 120 N 5.64 0.21 -3.60 3.68 4.77 -0.34 -5.01 117.00 122.35 2ju5 n LEU 120 Ca 0.06 -0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ju5 n LEU 120 Cb 0.48 0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2ju5 n LEU 120 CO 0.49 0.52 1.10 0.00 -1.33 0.00 0.00 177.39 178.17 2ju5 s ALA 121 N -2.48 -2.25 -0.09 -1.18 0.00 -1.23 -4.73 121.76 109.80 2ju5 s ALA 121 Ca -0.12 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 2ju5 s ALA 121 Cb 0.06 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2ju5 s ALA 121 CO 0.80 -0.84 0.31 -0.98 0.00 0.00 0.00 175.76 175.05 2ju5 s ARG 122 N -2.27 0.45 0.08 0.00 1.70 -1.26 -0.26 118.95 117.39 2ju5 s ARG 122 Ca 0.13 0.27 -0.08 0.00 -0.47 0.00 0.00 55.73 55.57 2ju5 s ARG 122 Cb 0.03 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2ju5 s ARG 122 CO -0.04 -0.08 0.18 -1.64 -1.08 0.00 0.00 175.30 172.64 2ju5 s MET 123 N -0.24 0.82 0.00 3.89 -1.94 0.42 -5.01 119.30 117.23 2ju5 s MET 123 Ca -0.04 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 2ju5 s MET 123 Cb -0.03 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.14 2ju5 s MET 123 CO 0.01 -0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 2ju5 n GLY 124 N 0.04 5.21 3.73 -0.03 0.00 -1.26 0.16 105.19 113.03 2ju5 n GLY 124 Ca -0.15 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 3.51 3.76 -0.11 1.61 5.36 -1.26 -4.88 117.98 125.97 2ju5 s PHE 125 Ca 0.00 1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 57.60 2ju5 s PHE 125 Cb 0.00 -2.99 0.05 0.00 -0.34 0.00 0.00 43.02 39.75 2ju5 s PHE 125 CO 0.00 0.19 0.15 -1.21 -1.46 0.00 0.00 175.22 172.89 2ju5 s GLU 126 N 0.18 0.05 0.70 10.12 8.01 -1.26 -5.12 118.70 131.37 2ju5 s GLU 126 Ca 0.45 0.42 -0.16 0.00 0.01 0.00 0.00 54.97 55.68 2ju5 s GLU 126 Cb -0.22 -0.61 -0.02 0.00 -4.31 0.00 0.00 34.13 28.98 2ju5 s GLU 126 CO 0.27 -0.40 0.85 -2.30 0.01 0.00 0.00 175.26 173.69 2ju5 n PRO 127 N 5.32 0.51 0.00 0.39 -0.02 -1.26 -4.27 135.00 135.67 2ju5 n PRO 127 Ca -0.05 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2ju5 n PRO 127 Cb 0.50 -2.10 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 1.28 1.57 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.59 2ju5 n GLY 128 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.07 0.23 -0.02 0.00 -1.26 -4.33 105.19 99.88 2ju5 n GLY 129 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 0.83 0.91 -0.02 0.00 -1.88 -2.33 103.07 100.57 2ju5 h GLY 130 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.78 2ju5 h GLY 130 CO 0.00 0.52 0.11 0.00 0.00 0.00 0.00 176.54 177.17 2ju5 h ALA 131 N 0.95 0.27 -0.55 3.60 0.00 -1.91 -1.72 119.26 119.89 2ju5 h ALA 131 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ju5 h ALA 131 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ju5 h ALA 131 CO 0.01 -0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.13 2ju5 h ALA 132 N 1.11 1.26 -0.59 0.00 0.00 -1.74 -2.83 119.26 116.48 2ju5 h ALA 132 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 132 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ju5 h ALA 132 CO -0.06 0.52 0.26 -0.92 0.00 0.00 0.00 179.25 179.05 2ju5 h TYR 133 N 0.80 0.87 -0.65 0.00 5.03 -0.83 -2.78 116.97 119.41 2ju5 h TYR 133 Ca 0.18 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 2ju5 h TYR 133 Cb 0.24 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 2ju5 h TYR 133 CO 0.01 0.69 0.21 -0.39 -1.32 0.00 0.00 178.16 177.36 2ju5 h VAL 134 N 0.80 1.24 -0.78 1.81 -1.51 -1.10 -1.18 116.25 115.53 2ju5 h VAL 134 Ca 0.20 -0.82 0.03 0.00 -1.23 0.00 0.00 66.70 64.88 2ju5 h VAL 134 Cb 0.16 0.52 -0.05 0.00 -2.13 0.00 0.00 31.29 29.80 2ju5 h VAL 134 CO -0.02 0.32 0.50 0.28 -1.23 0.00 0.00 177.57 177.42 2ju5 h SER 135 N 0.95 0.84 -0.35 4.19 0.02 -1.30 0.10 113.55 117.99 2ju5 h SER 135 Ca 0.21 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2ju5 h SER 135 Cb 0.26 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2ju5 h SER 135 CO -0.01 0.58 0.08 0.11 -1.14 0.00 0.00 176.83 176.45 2ju5 h LYS 136 N 0.99 0.56 -0.54 3.45 1.57 -1.11 -2.02 116.57 119.47 2ju5 h LYS 136 Ca 0.31 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2ju5 h LYS 136 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2ju5 h LYS 136 CO -0.11 0.62 0.09 -0.24 -0.57 0.00 0.00 179.45 179.25 2ju5 h VAL 137 N 0.41 1.25 -0.51 0.50 3.04 -0.95 -1.26 116.25 118.73 2ju5 h VAL 137 Ca 0.11 -0.94 0.06 0.00 -1.01 0.00 0.00 66.70 64.92 2ju5 h VAL 137 Cb 0.32 0.83 -0.05 0.00 -2.01 0.00 0.00 31.29 30.37 2ju5 h VAL 137 CO 0.00 0.34 0.20 0.50 -1.01 0.00 0.00 177.57 177.61 2ju5 h LYS 138 N 0.77 0.38 -0.40 4.17 3.64 -0.85 0.59 116.57 124.87 2ju5 h LYS 138 Ca 0.16 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2ju5 h LYS 138 Cb 0.40 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2ju5 h LYS 138 CO 0.01 0.25 -0.22 0.77 -2.27 0.00 0.00 179.45 178.00 2ju5 h SER 139 N 0.40 0.81 -0.55 4.20 0.02 -1.13 -1.39 113.55 115.89 2ju5 h SER 139 Ca 0.24 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 2ju5 h SER 139 Cb 0.23 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2ju5 h SER 139 CO -0.22 1.00 -0.11 0.00 -1.14 0.00 0.00 176.83 176.36 2ju5 h ALA 140 N 1.06 0.76 -0.01 3.77 0.00 -0.36 -3.00 119.26 121.48 2ju5 h ALA 140 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ju5 h ALA 140 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ju5 h ALA 140 CO 0.06 0.68 -0.05 1.28 0.00 0.00 0.00 179.25 181.22 2ju5 n LEU 141 N -4.14 1.24 -3.21 0.00 4.32 0.12 -4.56 117.00 110.76 2ju5 n LEU 141 Ca 0.02 -0.39 -0.18 0.00 -0.02 0.00 0.00 56.01 55.43 2ju5 n LEU 141 Cb 0.41 -0.03 0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2ju5 n LEU 141 CO 0.46 0.21 0.16 0.29 -1.22 0.00 0.00 177.39 177.28 2ju5 n LYS 142 N -0.12 -6.48 -3.45 3.23 4.01 -0.89 -4.98 118.16 109.48 2ju5 n LYS 142 Ca 0.18 0.75 -0.38 0.00 -0.51 0.00 0.00 58.31 58.35 2ju5 n LYS 142 Cb 0.33 -5.51 -0.09 0.00 -0.51 0.00 0.00 35.03 29.25 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 -6.23 4.08 0.00 -0.35 1.02 -0.58 -5.06 118.68 111.56 2ju5 s LEU 143 Ca 0.24 0.28 0.22 0.00 0.02 0.00 0.00 54.13 54.89 2ju5 s LEU 143 Cb -0.11 -2.36 1.29 0.00 0.02 0.00 0.00 46.19 45.03 2ju5 s LEU 143 CO 0.65 -0.10 1.67 -1.14 0.02 0.00 0.00 176.35 177.44