#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 4.68 -0.13 0.00 0.52 -1.26 -5.05 118.95 117.72 2ju5 s ARG 2 Ca 0.00 1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 56.52 2ju5 s ARG 2 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 2ju5 s ARG 2 CO 0.00 0.37 0.13 1.03 0.02 0.00 0.00 175.30 176.85 2ju5 s ARG 3 N -1.73 3.48 -1.40 3.54 0.52 -1.26 -4.38 118.95 117.71 2ju5 s ARG 3 Ca 0.47 -0.16 -0.09 0.00 -0.52 0.00 0.00 55.73 55.42 2ju5 s ARG 3 Cb -0.21 -3.18 0.06 0.00 0.52 0.00 0.00 34.95 32.14 2ju5 s ARG 3 CO 0.27 0.73 0.62 0.54 0.02 0.00 0.00 175.30 177.47 2ju5 n ARG 4 N 2.15 -4.17 -2.17 3.54 1.74 -1.26 -4.90 116.66 111.58 2ju5 n ARG 4 Ca -0.20 0.60 -0.40 0.00 -0.77 0.00 0.00 57.85 57.09 2ju5 n ARG 4 Cb 0.55 -5.38 -0.02 0.00 -1.02 0.00 0.00 32.46 26.58 2ju5 n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ju5 s ALA 5 N -3.06 3.40 0.35 7.54 0.00 -1.26 -4.91 121.76 123.81 2ju5 s ALA 5 Ca 0.43 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.62 2ju5 s ALA 5 Cb -0.22 -3.45 0.65 0.00 0.00 0.00 0.00 23.12 20.10 2ju5 s ALA 5 CO 0.53 -0.60 1.90 0.66 0.00 0.00 0.00 175.76 178.26 2ju5 h SER 6 N 3.22 0.47 -5.00 0.00 4.64 -1.97 -3.49 113.55 111.42 2ju5 h SER 6 Ca -0.49 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2ju5 h SER 6 Cb 1.23 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ju5 h SER 6 CO 0.65 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2ju5 n GLY 7 N -0.95 2.87 0.33 -0.77 0.00 -1.26 -4.83 105.19 100.58 2ju5 n GLY 7 Ca 0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 2ju5 n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ju5 h GLU 8 N 0.00 1.06 -5.95 1.61 5.08 -2.06 -3.42 114.58 110.91 2ju5 h GLU 8 Ca 0.00 -0.17 -0.62 0.00 -1.00 0.00 0.00 59.36 57.57 2ju5 h GLU 8 Cb 0.00 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 2ju5 h GLU 8 CO 0.00 0.84 -0.28 0.54 -1.00 0.00 0.00 179.01 179.12 2ju5 s ASN 9 N -6.41 6.68 -0.17 1.42 4.22 -1.26 -5.09 114.94 114.33 2ju5 s ASN 9 Ca -0.11 0.81 -0.01 0.00 -2.14 0.00 0.00 52.86 51.40 2ju5 s ASN 9 Cb 0.16 -2.19 -0.01 0.00 1.28 0.00 0.00 41.25 40.49 2ju5 s ASN 9 CO 0.82 0.31 -0.11 -0.76 -2.04 0.00 0.00 177.10 175.32 2ju5 s LEU 10 N -1.27 2.72 0.12 3.54 1.43 -1.26 -5.06 118.68 118.91 2ju5 s LEU 10 Ca 0.24 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 2ju5 s LEU 10 Cb -0.15 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2ju5 s LEU 10 CO 0.13 0.08 0.89 -1.10 0.23 0.00 0.00 176.35 176.58 2ju5 s GLN 11 N 0.84 4.67 -0.19 1.70 -0.21 -1.26 -5.05 119.66 120.15 2ju5 s GLN 11 Ca -0.03 1.34 -0.09 0.00 0.02 0.00 0.00 55.36 56.60 2ju5 s GLN 11 Cb -0.15 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 2ju5 s GLN 11 CO 0.00 0.32 0.10 -0.65 -2.12 0.00 0.00 175.29 172.95 2ju5 s GLN 12 N -0.34 4.10 0.22 2.91 -0.21 -1.26 -5.10 119.66 119.99 2ju5 s GLN 12 Ca 0.43 -0.27 0.06 0.00 0.02 0.00 0.00 55.36 55.60 2ju5 s GLN 12 Cb -0.23 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 2ju5 s GLN 12 CO 0.28 0.28 -0.08 0.95 -2.12 0.00 0.00 175.29 174.61 2ju5 s THR 13 N 0.38 1.42 -0.36 -0.19 -4.23 -1.26 -4.94 115.64 106.46 2ju5 s THR 13 Ca 0.06 -2.12 -0.19 0.00 -1.18 0.00 0.00 61.69 58.27 2ju5 s THR 13 Cb -0.12 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2ju5 s THR 13 CO -0.01 -0.49 0.45 0.54 -0.54 0.00 0.00 174.62 174.57 2ju5 n ARG 14 N -0.40 -2.17 -0.35 3.99 1.74 -1.26 -4.84 116.66 113.37 2ju5 n ARG 14 Ca -0.07 1.86 0.12 0.00 -0.77 0.00 0.00 57.85 58.98 2ju5 n ARG 14 Cb 0.62 -3.93 0.31 0.00 -1.02 0.00 0.00 32.46 28.44 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2ju5 h PRO 15 N 2.41 0.79 -5.25 5.56 0.11 -2.06 -3.39 132.00 130.18 2ju5 h PRO 15 Ca -0.18 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.23 2ju5 h PRO 15 Cb 0.96 -0.18 -0.28 0.00 0.11 0.00 0.00 31.00 31.61 2ju5 h PRO 15 CO 0.17 0.52 -0.78 0.42 -0.21 0.00 0.00 178.00 178.12 2ju5 s ILE 16 N -5.87 2.88 0.11 4.15 1.01 -1.26 -5.12 121.20 117.11 2ju5 s ILE 16 Ca -0.11 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.89 2ju5 s ILE 16 Cb 0.24 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2ju5 s ILE 16 CO 0.80 0.52 -0.15 0.00 0.00 0.00 0.00 174.94 176.11 2ju5 s ALA 17 N 0.60 1.45 0.51 9.38 0.00 -1.26 -5.13 121.76 127.30 2ju5 s ALA 17 Ca -0.08 -1.22 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 2ju5 s ALA 17 Cb -0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2ju5 s ALA 17 CO 0.03 0.14 1.14 0.00 0.00 0.00 0.00 175.76 177.07 2ju5 s ALA 18 N -1.86 2.81 0.49 0.00 0.00 -1.26 -4.96 121.76 116.98 2ju5 s ALA 18 Ca 0.06 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 2ju5 s ALA 18 Cb -0.06 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2ju5 s ALA 18 CO 0.03 -0.70 1.06 0.00 0.00 0.00 0.00 175.76 176.15 2ju5 n ALA 19 N -0.96 0.47 -0.87 0.00 0.00 -1.26 -4.91 120.51 112.98 2ju5 n ALA 19 Ca 0.10 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 2ju5 n ALA 19 Cb 0.50 -2.14 0.12 0.00 0.00 0.00 0.00 19.45 17.93 2ju5 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ju5 n ASN 20 N -0.04 -1.19 -4.75 0.00 5.03 -1.26 -4.78 115.26 108.26 2ju5 n ASN 20 Ca 0.10 0.41 -0.40 0.00 0.87 0.00 0.00 54.58 55.56 2ju5 n ASN 20 Cb 0.42 -1.29 -0.04 0.00 -1.02 0.00 0.00 39.78 37.85 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2ju5 s LEU 21 N -2.45 4.54 -0.43 3.41 2.96 -1.26 -5.01 118.68 120.45 2ju5 s LEU 21 Ca 0.62 2.23 -0.15 0.00 -0.22 0.00 0.00 54.13 56.61 2ju5 s LEU 21 Cb -0.24 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 42.87 2ju5 s LEU 21 CO 0.63 -0.15 0.33 -1.10 -1.32 0.00 0.00 176.35 174.74 2ju5 s GLN 22 N -1.24 2.94 0.21 1.98 -0.21 -1.26 -5.06 119.66 117.03 2ju5 s GLN 22 Ca 0.45 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.35 2ju5 s GLN 22 Cb -0.31 -4.01 -0.08 0.00 1.00 0.00 0.00 33.01 29.60 2ju5 s GLN 22 CO 0.40 -0.87 0.98 -1.58 -2.12 0.00 0.00 175.29 172.10 2ju5 s TRP 23 N 1.64 3.85 0.27 0.91 0.51 -1.26 -4.54 118.94 120.32 2ju5 s TRP 23 Ca 0.04 1.83 0.09 0.00 -2.12 0.00 0.00 56.10 55.94 2ju5 s TRP 23 Cb -0.21 -3.07 -0.05 0.00 -0.81 0.00 0.00 33.47 29.32 2ju5 s TRP 23 CO 0.08 0.15 -0.14 -1.21 -0.51 0.00 0.00 176.95 175.32 2ju5 s GLU 24 N -0.87 1.56 0.57 4.98 2.02 -0.83 -5.04 118.70 121.10 2ju5 s GLU 24 Ca 0.44 -1.74 -0.14 0.00 0.02 0.00 0.00 54.97 53.55 2ju5 s GLU 24 Cb -0.27 -1.43 -0.06 0.00 0.10 0.00 0.00 34.13 32.48 2ju5 s GLU 24 CO 0.33 0.20 1.01 -1.12 0.02 0.00 0.00 175.26 175.70 2ju5 s SER 25 N -3.45 6.37 0.21 -0.19 0.01 -1.26 -4.39 113.70 111.00 2ju5 s SER 25 Ca 0.28 1.50 -0.10 0.00 1.31 0.00 0.00 55.95 58.95 2ju5 s SER 25 Cb -0.01 -2.49 0.19 0.00 0.21 0.00 0.00 66.02 63.93 2ju5 s SER 25 CO 0.12 -0.77 1.86 0.22 0.41 0.00 0.00 173.24 175.08 2ju5 h TYR 26 N 0.24 0.87 -0.36 2.43 3.20 -1.95 0.40 116.97 121.80 2ju5 h TYR 26 Ca -0.45 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.32 2ju5 h TYR 26 Cb 1.19 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2ju5 h TYR 26 CO 0.65 0.51 -0.25 0.00 -1.64 0.00 0.00 178.16 177.42 2ju5 h ALA 27 N 1.30 0.89 -0.43 1.82 0.00 -2.00 -2.67 119.26 118.17 2ju5 h ALA 27 Ca 0.29 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2ju5 h ALA 27 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 27 CO -0.10 0.62 -0.29 0.93 0.00 0.00 0.00 179.25 180.42 2ju5 h GLU 28 N 0.62 0.94 -0.46 0.00 4.39 -1.66 -2.55 114.58 115.86 2ju5 h GLU 28 Ca 0.08 -0.44 0.02 0.00 0.34 0.00 0.00 59.36 59.36 2ju5 h GLU 28 Cb 0.75 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2ju5 h GLU 28 CO 0.06 1.10 0.28 0.00 -1.16 0.00 0.00 179.01 179.29 2ju5 h ALA 29 N 0.87 0.59 -0.61 3.43 0.00 -0.08 -1.28 119.26 122.18 2ju5 h ALA 29 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ju5 h ALA 29 Cb 0.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ju5 h ALA 29 CO 0.08 -0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.47 2ju5 h LEU 30 N 0.57 0.86 -0.75 0.00 3.38 -1.41 0.38 115.31 118.34 2ju5 h LEU 30 Ca 0.18 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2ju5 h LEU 30 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2ju5 h LEU 30 CO -0.07 0.81 0.06 1.05 0.09 0.00 0.00 178.44 180.38 2ju5 h GLU 31 N 0.86 1.01 -0.14 1.13 4.11 -1.18 0.64 114.58 121.01 2ju5 h GLU 31 Ca 0.20 -0.28 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 2ju5 h GLU 31 Cb 0.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ju5 h GLU 31 CO -0.01 0.95 -0.07 0.45 0.07 0.00 0.00 179.01 180.40 2ju5 h HIS 32 N 0.94 0.35 -0.37 2.06 3.86 -0.83 -3.14 115.15 118.02 2ju5 h HIS 32 Ca 0.18 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2ju5 h HIS 32 Cb 0.46 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 2ju5 h HIS 32 CO 0.03 0.64 -0.02 0.77 0.86 0.00 0.00 177.93 180.21 2ju5 h SER 33 N -0.04 0.56 0.08 2.45 0.02 -0.06 2.09 113.55 118.66 2ju5 h SER 33 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2ju5 h SER 33 Cb 0.55 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2ju5 h SER 33 CO 0.02 0.64 -0.05 0.11 -1.14 0.00 0.00 176.83 176.41 2ju5 h LYS 34 N 0.56 0.00 0.00 3.45 1.57 -0.88 2.16 116.57 123.44 2ju5 h LYS 34 Ca 0.12 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.51 2ju5 h LYS 34 Cb 0.38 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2ju5 h LYS 34 CO 0.01 0.05 -2.47 1.04 -0.57 0.00 0.00 179.45 177.52 2ju5 n GLN 35 N -4.12 0.64 0.04 3.15 6.02 -0.43 -4.59 117.38 118.09 2ju5 n GLN 35 Ca -0.03 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 2ju5 n GLN 35 Cb 0.14 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 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 -3.30 0.46 -0.18 1.08 8.00 0.70 -4.97 116.55 118.33 2ju5 n ASP 36 Ca -0.46 0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.07 2ju5 n ASP 36 Cb 0.98 1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 43.24 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 -2.33 0.00 -2.47 1.24 8.25 0.73 -4.96 115.22 115.69 2ju5 n HIS 37 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ju5 n HIS 37 Cb 0.53 -1.11 -0.03 0.00 1.12 0.00 0.00 29.99 30.50 2ju5 n HIS 37 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ju5 s LYS 38 N -1.35 4.38 0.66 -0.41 3.01 -1.26 -4.88 119.74 119.89 2ju5 s LYS 38 Ca 0.00 1.68 -0.17 0.00 -1.01 0.00 0.00 55.97 56.47 2ju5 s LYS 38 Cb 0.00 -3.52 -0.03 0.00 -1.01 0.00 0.00 37.83 33.28 2ju5 s LYS 38 CO 0.00 -0.40 0.91 -2.30 0.51 0.00 0.00 175.35 174.07 2ju5 n PRO 39 N 4.92 0.66 -4.56 -1.68 -0.02 -1.26 -4.61 135.00 128.44 2ju5 n PRO 39 Ca 0.10 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 2ju5 n PRO 39 Cb 0.46 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.68 3.61 -0.26 4.25 1.01 0.24 -1.96 121.20 126.41 2ju5 s ILE 40 Ca 0.74 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 2ju5 s ILE 40 Cb -0.38 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 2ju5 s ILE 40 CO 0.49 0.53 0.04 -0.83 0.00 0.00 0.00 174.94 175.17 2ju5 s GLY 41 N 0.09 1.74 -0.28 6.18 0.00 -0.48 -0.98 107.32 113.58 2ju5 s GLY 41 Ca -0.02 -1.30 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 2ju5 s GLY 41 CO 0.03 0.56 0.33 1.08 0.00 0.00 0.00 173.10 175.11 2ju5 s LEU 42 N 1.52 4.09 -0.45 0.66 1.02 -0.91 -0.94 118.68 123.67 2ju5 s LEU 42 Ca 0.04 0.14 -0.18 0.00 0.02 0.00 0.00 54.13 54.15 2ju5 s LEU 42 Cb -0.16 -2.34 0.04 0.00 0.02 0.00 0.00 46.19 43.74 2ju5 s LEU 42 CO 0.01 -0.18 0.52 0.12 0.02 0.00 0.00 176.35 176.84 2ju5 s PHE 43 N 1.99 3.13 -0.24 0.29 5.36 -0.24 -2.94 117.98 125.33 2ju5 s PHE 43 Ca 0.13 -0.42 -0.13 0.00 -0.96 0.00 0.00 56.93 55.54 2ju5 s PHE 43 Cb -0.16 -3.17 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2ju5 s PHE 43 CO 0.10 -0.83 0.28 -0.06 -1.46 0.00 0.00 175.22 173.26 2ju5 s PHE 44 N 2.33 3.31 0.20 10.12 0.08 -0.91 -0.85 117.98 132.27 2ju5 s PHE 44 Ca 0.14 0.38 -0.05 0.00 0.12 0.00 0.00 56.93 57.51 2ju5 s PHE 44 Cb -0.18 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2ju5 s PHE 44 CO 0.13 -0.04 0.36 0.25 -0.10 0.00 0.00 175.22 175.82 2ju5 n THR 45 N 4.56 0.00 -3.67 0.64 -2.24 -0.99 -2.71 114.28 109.87 2ju5 n THR 45 Ca -0.11 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.69 2ju5 n THR 45 Cb 0.51 0.55 -0.12 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 -2.12 1.68 0.43 3.38 0.00 -1.26 -0.67 107.32 108.76 2ju5 s GLY 46 Ca 0.11 -2.65 0.13 0.00 0.00 0.00 0.00 44.72 42.31 2ju5 s GLY 46 CO 0.08 1.61 1.97 1.76 0.00 0.00 0.00 173.10 178.53 2ju5 h SER 47 N 6.47 0.40 -0.01 1.64 0.02 -1.86 -1.52 113.55 118.68 2ju5 h SER 47 Ca 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ju5 h SER 47 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2ju5 h SER 47 CO 0.48 0.24 -0.39 0.47 -1.14 0.00 0.00 176.83 176.49 2ju5 n ASP 48 N -4.47 1.71 0.00 3.07 8.00 -1.26 -4.74 116.55 118.86 2ju5 n ASP 48 Ca 0.10 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2ju5 n ASP 48 Cb 0.36 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.14 0.00 -3.87 1.24 4.27 -1.13 -4.86 117.44 112.96 2ju5 n TRP 49 Ca 0.07 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.34 2ju5 n TRP 49 Cb 0.37 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.27 2ju5 n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2ju5 n MET 51 N 1.12 1.06 0.26 0.00 1.56 -1.26 -4.16 117.12 115.70 2ju5 n MET 51 Ca -0.12 0.04 0.13 0.00 -0.27 0.00 0.00 57.70 57.48 2ju5 n MET 51 Cb 0.53 -1.41 0.79 0.00 2.15 0.00 0.00 33.22 35.28 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 0.00 0.00 -0.11 1.12 6.55 -1.95 -0.55 115.95 121.02 2ju5 h TRP 52 Ca -0.44 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.27 2ju5 h TRP 52 Cb 1.88 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 30.18 2ju5 h TRP 52 CO 0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 178.44 176.97 2ju5 h ILE 54 N 0.06 1.05 -0.54 0.00 2.04 -1.34 0.13 117.51 118.91 2ju5 h ILE 54 Ca -0.02 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2ju5 h ILE 54 Cb 1.07 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2ju5 h ILE 54 CO 0.09 0.13 0.33 0.11 0.00 0.00 0.00 178.15 178.81 2ju5 h LYS 55 N 0.72 0.72 -0.60 2.37 1.79 -1.07 0.37 116.57 120.87 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 0.06 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 2ju5 h LYS 55 CO -0.12 0.51 0.31 1.98 -1.08 0.00 0.00 179.45 181.05 2ju5 h MET 56 N 0.72 0.85 -0.06 3.15 4.05 -0.18 0.38 114.93 123.84 2ju5 h MET 56 Ca 0.19 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2ju5 h MET 56 Cb -0.03 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.61 2ju5 h MET 56 CO -0.04 0.67 0.00 1.96 0.23 0.00 0.00 176.91 179.73 2ju5 h GLN 57 N 0.82 0.11 -0.38 0.39 4.20 -0.32 0.14 115.11 120.07 2ju5 h GLN 57 Ca 0.21 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.73 2ju5 h GLN 57 Cb 0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2ju5 h GLN 57 CO -0.03 0.38 -0.36 -0.44 -0.67 0.00 0.00 178.83 177.71 2ju5 h ASP 58 N -0.17 0.95 0.71 1.46 3.32 -0.13 0.10 116.42 122.66 2ju5 h ASP 58 Ca 0.02 -0.42 -0.21 0.00 0.02 0.00 0.00 57.03 56.44 2ju5 h ASP 58 Cb 0.33 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2ju5 h ASP 58 CO 0.00 1.20 -1.41 1.56 -1.72 0.00 0.00 179.24 178.87 2ju5 h GLN 59 N 0.74 0.00 0.00 3.56 1.08 -0.27 -3.40 115.11 116.82 2ju5 h GLN 59 Ca 0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2ju5 h GLN 59 Cb 0.94 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 2ju5 h GLN 59 CO 0.09 0.43 -0.47 -0.89 -0.95 0.00 0.00 178.83 177.03 2ju5 n ILE 60 N -3.00 1.04 -0.33 2.54 5.41 0.45 -3.26 119.36 122.20 2ju5 n ILE 60 Ca -0.11 0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.86 2ju5 n ILE 60 Cb 0.91 -1.70 0.09 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.19 1.12 -0.92 1.39 -0.00 -1.28 -2.00 115.31 113.42 2ju5 h LEU 61 Ca -0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2ju5 h LEU 61 Cb 0.43 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2ju5 h LEU 61 CO -0.02 0.90 0.00 0.00 -0.00 0.00 0.00 178.44 179.32 2ju5 n GLN 62 N -4.33 1.61 -2.58 1.13 1.13 0.34 -4.34 117.38 110.34 2ju5 n GLN 62 Ca 0.10 -0.91 -0.33 0.00 -1.94 0.00 0.00 57.00 53.92 2ju5 n GLN 62 Cb 0.10 -1.39 -0.05 0.00 0.11 0.00 0.00 30.24 29.01 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2ju5 s SER 63 N -1.63 6.65 0.19 1.08 1.04 -0.75 -4.93 113.70 115.34 2ju5 s SER 63 Ca 0.33 1.70 -0.12 0.00 0.48 0.00 0.00 55.95 58.33 2ju5 s SER 63 Cb 0.17 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.87 2ju5 s SER 63 CO 0.27 -0.57 1.85 -1.28 0.98 0.00 0.00 173.24 174.49 2ju5 h SER 64 N 1.41 0.70 -0.50 7.02 0.87 -1.91 -1.74 113.55 119.42 2ju5 h SER 64 Ca -0.48 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 2ju5 h SER 64 Cb 1.19 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2ju5 h SER 64 CO 0.61 0.51 0.20 -0.33 -0.53 0.00 0.00 176.83 177.28 2ju5 h GLU 65 N 0.83 0.74 -0.54 2.24 3.07 -1.91 -1.98 114.58 117.03 2ju5 h GLU 65 Ca 0.23 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 2ju5 h GLU 65 Cb -0.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 2ju5 h GLU 65 CO -0.05 0.66 0.18 0.35 -1.40 0.00 0.00 179.01 178.74 2ju5 h PHE 66 N 0.66 0.87 -0.58 4.33 3.04 -1.72 -1.35 116.94 122.19 2ju5 h PHE 66 Ca 0.17 -0.08 0.02 0.00 3.98 0.00 0.00 57.97 62.05 2ju5 h PHE 66 Cb 0.19 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 2ju5 h PHE 66 CO 0.00 0.73 0.37 0.87 -2.02 0.00 0.00 178.31 178.26 2ju5 h LYS 67 N 0.75 0.71 -0.25 1.11 1.57 -1.14 0.12 116.57 119.45 2ju5 h LYS 67 Ca 0.18 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2ju5 h LYS 67 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2ju5 h LYS 67 CO -0.01 0.47 -0.03 1.25 -0.57 0.00 0.00 179.45 180.56 2ju5 h HIS 68 N 0.73 0.51 0.17 -1.35 2.76 -1.18 -0.57 115.15 116.21 2ju5 h HIS 68 Ca 0.23 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2ju5 h HIS 68 Cb -0.02 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.81 2ju5 h HIS 68 CO -0.05 0.66 -0.08 0.35 -1.30 0.00 0.00 177.93 177.51 2ju5 h PHE 69 N 0.22 -0.21 -0.31 5.26 3.57 -0.95 -2.54 116.94 121.98 2ju5 h PHE 69 Ca 0.07 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2ju5 h PHE 69 Cb 0.47 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2ju5 h PHE 69 CO 0.04 -0.06 -0.28 0.00 -2.23 0.00 0.00 178.31 175.78 2ju5 h ALA 70 N 0.52 0.91 -0.52 2.41 0.00 -0.80 0.20 119.26 121.99 2ju5 h ALA 70 Ca -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2ju5 h ALA 70 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ju5 h ALA 70 CO 0.04 0.62 0.06 0.78 0.00 0.00 0.00 179.25 180.75 2ju5 h GLY 71 N 1.00 0.89 0.47 0.00 0.00 -1.07 0.43 103.07 104.79 2ju5 h GLY 71 Ca 0.07 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.67 2ju5 h GLY 71 CO 0.06 0.52 -0.84 -2.08 0.00 0.00 0.00 176.54 174.20 2ju5 h VAL 72 N 0.79 1.40 -0.01 4.60 2.07 -1.31 -3.41 116.25 120.38 2ju5 h VAL 72 Ca 0.16 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2ju5 h VAL 72 Cb 0.38 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2ju5 h VAL 72 CO 0.01 0.66 -0.35 1.41 0.02 0.00 0.00 177.57 179.32 2ju5 n HIS 73 N -4.19 0.00 -4.17 1.57 -0.00 0.70 -5.07 115.22 104.05 2ju5 n HIS 73 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.44 2ju5 n HIS 73 Cb 0.77 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.66 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 -2.01 1.47 -0.16 2.41 1.02 0.15 -4.10 118.68 117.47 2ju5 s LEU 74 Ca 0.10 -1.30 -0.00 0.00 0.02 0.00 0.00 54.13 52.95 2ju5 s LEU 74 Cb 0.10 0.33 -0.01 0.00 0.02 0.00 0.00 46.19 46.64 2ju5 s LEU 74 CO 0.37 -0.78 -0.14 -1.00 0.02 0.00 0.00 176.35 174.83 2ju5 s HIS 75 N -4.10 2.81 -0.12 0.29 3.76 -0.83 -4.46 115.29 112.65 2ju5 s HIS 75 Ca 0.31 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.24 2ju5 s HIS 75 Cb 0.07 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 2ju5 s HIS 75 CO 0.07 -0.41 0.07 1.41 -0.85 0.00 0.00 174.74 175.03 2ju5 s MET 76 N 0.77 3.38 -0.08 1.40 1.75 -1.26 -1.38 119.30 123.87 2ju5 s MET 76 Ca -0.05 -0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 2ju5 s MET 76 Cb -0.15 -3.05 0.01 0.00 2.84 0.00 0.00 34.83 34.48 2ju5 s MET 76 CO 0.01 0.65 -0.17 0.08 -0.65 0.00 0.00 175.02 174.95 2ju5 s VAL 77 N -0.70 1.48 -0.19 10.11 1.01 -0.12 -1.96 120.40 130.02 2ju5 s VAL 77 Ca 0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2ju5 s VAL 77 Cb -0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2ju5 s VAL 77 CO 0.03 0.43 0.29 -0.70 0.00 0.00 0.00 175.10 175.14 2ju5 s GLU 78 N 0.56 4.19 -0.35 2.72 2.12 -1.26 -1.08 118.70 125.60 2ju5 s GLU 78 Ca -0.16 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2ju5 s GLU 78 Cb -0.17 -3.48 0.11 0.00 0.26 0.00 0.00 34.13 30.86 2ju5 s GLU 78 CO 0.05 0.12 0.14 0.08 -0.54 0.00 0.00 175.26 175.12 2ju5 s VAL 79 N 0.83 0.99 0.05 3.70 1.01 -0.03 -4.91 120.40 122.04 2ju5 s VAL 79 Ca 0.15 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.41 2ju5 s VAL 79 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2ju5 s VAL 79 CO 0.05 -0.75 0.07 -1.81 0.00 0.00 0.00 175.10 172.65 2ju5 s ASP 80 N 1.24 5.50 -0.60 3.32 1.01 -1.26 -2.35 116.67 123.53 2ju5 s ASP 80 Ca 0.12 0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.46 2ju5 s ASP 80 Cb -0.20 -1.49 0.21 0.00 1.01 0.00 0.00 42.92 42.45 2ju5 s ASP 80 CO -0.17 0.21 0.57 0.49 0.21 0.00 0.00 175.17 176.48 2ju5 n PHE 81 N 0.74 2.32 -1.72 4.23 3.01 0.15 -4.95 117.46 121.25 2ju5 n PHE 81 Ca -0.10 -4.02 -0.31 0.00 1.01 0.00 0.00 57.45 54.03 2ju5 n PHE 81 Cb 0.52 -0.44 0.05 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 -1.57 2.93 0.08 -1.08 0.04 -1.26 -4.41 135.00 129.73 2ju5 s PRO 82 Ca 0.33 0.72 -0.15 0.00 0.04 0.00 0.00 61.00 61.94 2ju5 s PRO 82 Cb 0.06 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.43 2ju5 s PRO 82 CO -0.11 -1.04 1.28 1.96 0.04 0.00 0.00 177.00 179.12 2ju5 h GLN 83 N -0.67 0.67 -4.02 4.56 4.20 -1.96 -3.37 115.11 114.53 2ju5 h GLN 83 Ca -0.45 -0.54 -0.76 0.00 0.06 0.00 0.00 58.65 56.96 2ju5 h GLN 83 Cb 1.23 0.11 -0.26 0.00 0.30 0.00 0.00 27.48 28.86 2ju5 h GLN 83 CO 0.60 1.15 -0.15 0.21 -0.67 0.00 0.00 178.83 179.98 2ju5 s LYS 84 N -3.75 3.11 -0.14 1.46 2.20 -1.26 -5.04 119.74 116.32 2ju5 s LYS 84 Ca -0.12 -1.98 -0.21 0.00 -0.36 0.00 0.00 55.97 53.31 2ju5 s LYS 84 Cb 0.07 -4.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2ju5 s LYS 84 CO 0.87 -1.30 0.61 -0.80 -0.36 0.00 0.00 175.35 174.37 2ju5 s ASN 85 N 2.95 6.77 -0.04 1.43 -0.87 -1.26 -4.91 114.94 119.01 2ju5 s ASN 85 Ca 0.08 0.93 0.05 0.00 -1.57 0.00 0.00 52.86 52.36 2ju5 s ASN 85 Cb -0.23 -2.35 0.08 0.00 -0.02 0.00 0.00 41.25 38.73 2ju5 s ASN 85 CO -0.01 -0.16 0.94 1.41 -2.57 0.00 0.00 177.10 176.71 2ju5 n HIS 86 N 4.35 0.00 -2.83 2.20 8.25 -1.26 -5.07 115.22 120.86 2ju5 n HIS 86 Ca -0.03 -0.35 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 2ju5 n HIS 86 Cb 0.51 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2ju5 n HIS 86 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2ju5 s GLN 87 N -0.95 3.80 0.68 -0.41 -2.07 -1.26 -5.06 119.66 114.38 2ju5 s GLN 87 Ca 0.09 0.51 -0.14 0.00 -1.82 0.00 0.00 55.36 53.99 2ju5 s GLN 87 Cb 0.08 -2.38 0.01 0.00 -1.09 0.00 0.00 33.01 29.63 2ju5 s GLN 87 CO 0.01 -0.05 1.11 -1.25 -1.32 0.00 0.00 175.29 173.79 2ju5 s PRO 88 N -3.84 2.72 0.22 9.60 0.04 -1.26 -4.80 135.00 137.68 2ju5 s PRO 88 Ca 0.52 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 2ju5 s PRO 88 Cb -0.10 -1.94 0.32 0.00 0.04 0.00 0.00 34.50 32.82 2ju5 s PRO 88 CO 0.31 -1.30 1.71 1.49 0.04 0.00 0.00 177.00 179.24 2ju5 h GLU 89 N -0.15 0.27 -0.91 4.56 4.81 -1.99 -1.25 114.58 119.93 2ju5 h GLU 89 Ca -0.46 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 2ju5 h GLU 89 Cb 1.24 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2ju5 h GLU 89 CO 0.54 0.18 0.59 0.93 -0.73 0.00 0.00 179.01 180.52 2ju5 h GLU 90 N 0.28 1.09 -0.33 1.92 5.08 -1.99 0.45 114.58 121.07 2ju5 h GLU 90 Ca 0.33 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 2ju5 h GLU 90 Cb 0.50 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ju5 h GLU 90 CO -0.41 0.72 -0.48 0.37 -1.00 0.00 0.00 179.01 178.21 2ju5 h GLN 91 N 1.12 0.91 -0.46 2.33 4.15 -1.64 -1.82 115.11 119.70 2ju5 h GLN 91 Ca 0.37 -0.53 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 2ju5 h GLN 91 Cb 0.04 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2ju5 h GLN 91 CO -0.11 1.18 -0.01 0.00 -1.93 0.00 0.00 178.83 177.96 2ju5 h ARG 92 N 0.71 0.82 -0.40 1.69 3.08 -0.65 -0.07 114.38 119.57 2ju5 h ARG 92 Ca 0.03 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2ju5 h ARG 92 Cb 1.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 2ju5 h ARG 92 CO 0.11 0.88 0.18 1.96 -1.07 0.00 0.00 179.97 182.03 2ju5 h GLN 93 N 0.67 0.59 -0.47 0.04 1.08 -0.90 -1.31 115.11 114.81 2ju5 h GLN 93 Ca 0.13 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2ju5 h GLN 93 Cb 0.51 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2ju5 h GLN 93 CO 0.02 0.53 0.26 -0.22 -0.95 0.00 0.00 178.83 178.48 2ju5 h LYS 94 N 0.50 0.66 -0.87 1.46 3.11 -1.19 -1.50 116.57 118.74 2ju5 h LYS 94 Ca 0.14 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2ju5 h LYS 94 Cb 0.15 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.21 2ju5 h LYS 94 CO -0.01 0.52 0.55 -0.91 -2.81 0.00 0.00 179.45 176.78 2ju5 h ASN 95 N 0.62 1.03 -0.51 4.20 2.35 -0.74 -0.02 115.58 122.50 2ju5 h ASN 95 Ca 0.17 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2ju5 h ASN 95 Cb 0.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2ju5 h ASN 95 CO -0.03 0.77 -0.04 1.56 -1.65 0.00 0.00 177.43 178.04 2ju5 h GLN 96 N 1.19 0.97 -0.43 0.81 4.20 -0.95 -0.41 115.11 120.50 2ju5 h GLN 96 Ca 0.32 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2ju5 h GLN 96 Cb -0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2ju5 h GLN 96 CO -0.06 0.98 0.19 0.93 -0.67 0.00 0.00 178.83 180.20 2ju5 h GLU 97 N 0.88 0.63 -0.67 1.46 4.39 -0.61 -1.98 114.58 118.68 2ju5 h GLU 97 Ca 0.15 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2ju5 h GLU 97 Cb 0.57 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2ju5 h GLU 97 CO 0.03 0.56 0.09 1.25 -1.16 0.00 0.00 179.01 179.79 2ju5 h LEU 98 N 0.55 1.07 -1.06 1.33 5.85 -0.81 0.28 115.31 122.52 2ju5 h LEU 98 Ca 0.15 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2ju5 h LEU 98 Cb 0.15 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2ju5 h LEU 98 CO -0.02 1.07 0.63 0.50 -0.34 0.00 0.00 178.44 180.29 2ju5 h LYS 99 N 1.04 1.23 0.08 1.25 3.64 -0.81 -1.33 116.57 121.67 2ju5 h LYS 99 Ca 0.20 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 59.23 2ju5 h LYS 99 Cb 0.46 -0.28 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2ju5 h LYS 99 CO 0.02 0.81 -1.15 0.00 -2.27 0.00 0.00 179.45 176.86 2ju5 h ALA 100 N 1.42 0.12 -0.14 5.00 0.00 -1.01 0.32 119.26 124.97 2ju5 h ALA 100 Ca 0.36 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2ju5 h ALA 100 Cb -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ju5 h ALA 100 CO -0.09 0.77 0.00 0.37 0.00 0.00 0.00 179.25 180.30 2ju5 h GLN 101 N 0.24 0.05 -0.55 0.00 4.15 0.23 -2.05 115.11 117.18 2ju5 h GLN 101 Ca -0.15 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2ju5 h GLN 101 Cb 1.82 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.50 2ju5 h GLN 101 CO 0.21 0.03 0.00 0.66 -1.93 0.00 0.00 178.83 177.80 2ju5 n TYR 102 N -5.12 0.85 -3.71 3.99 4.01 -0.57 -4.92 117.16 111.69 2ju5 n TYR 102 Ca -0.04 -0.36 -0.22 0.00 -0.16 0.00 0.00 57.90 57.12 2ju5 n TYR 102 Cb 0.08 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.73 -4.29 -3.15 -0.72 5.02 -0.77 -4.93 118.16 110.06 2ju5 n LYS 103 Ca 0.16 0.59 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 2ju5 n LYS 103 Cb 0.54 -5.03 -0.06 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.68 5.04 -0.01 -0.18 1.01 0.11 -4.90 120.40 117.79 2ju5 s VAL 104 Ca 0.06 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 2ju5 s VAL 104 Cb -0.02 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2ju5 s VAL 104 CO 0.82 0.12 -0.01 0.35 0.00 0.00 0.00 175.10 176.38 2ju5 n THR 105 N 4.71 0.04 -4.02 3.92 -2.24 -1.26 -4.74 114.28 110.69 2ju5 n THR 105 Ca -0.02 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 2ju5 n THR 105 Cb 0.50 -1.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 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 -4.99 2.06 0.13 3.38 0.00 -1.26 -5.12 107.32 101.52 2ju5 s GLY 106 Ca -0.01 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.80 2ju5 s GLY 106 CO 0.01 -0.95 -0.15 -0.11 0.00 0.00 0.00 173.10 171.90 2ju5 s PHE 107 N -1.43 1.50 0.31 1.90 -0.71 -1.26 -4.10 117.98 114.19 2ju5 s PHE 107 Ca 0.31 -0.53 -0.27 0.00 -1.04 0.00 0.00 56.93 55.40 2ju5 s PHE 107 Cb -0.12 -0.78 -0.10 0.00 -1.21 0.00 0.00 43.02 40.81 2ju5 s PHE 107 CO 0.24 0.18 0.98 -1.25 -1.34 0.00 0.00 175.22 174.03 2ju5 s PRO 108 N -2.66 4.59 -0.04 1.99 0.04 -1.26 -4.82 135.00 132.83 2ju5 s PRO 108 Ca 0.10 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 2ju5 s PRO 108 Cb -0.05 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.61 2ju5 s PRO 108 CO 0.04 0.26 0.01 -2.00 0.04 0.00 0.00 177.00 175.34 2ju5 s GLU 109 N -1.87 0.38 -0.20 4.56 2.12 -1.10 -3.77 118.70 118.83 2ju5 s GLU 109 Ca 0.49 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 2ju5 s GLU 109 Cb -0.22 -0.66 -0.00 0.00 0.26 0.00 0.00 34.13 33.50 2ju5 s GLU 109 CO 0.28 -0.21 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.53 2ju5 s LEU 110 N 1.47 2.72 -0.12 2.70 0.20 0.17 -2.14 118.68 123.67 2ju5 s LEU 110 Ca -0.03 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.37 2ju5 s LEU 110 Cb -0.13 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2ju5 s LEU 110 CO -0.03 0.01 -0.16 0.68 -0.29 0.00 0.00 176.35 176.57 2ju5 s VAL 111 N 1.25 2.78 -0.23 1.68 -7.23 -1.15 -0.51 120.40 116.99 2ju5 s VAL 111 Ca 0.03 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 2ju5 s VAL 111 Cb -0.14 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 2ju5 s VAL 111 CO -0.04 0.53 0.16 -0.36 -0.31 0.00 0.00 175.10 175.08 2ju5 s PHE 112 N 0.36 3.35 0.12 2.82 0.40 0.70 -2.14 117.98 123.60 2ju5 s PHE 112 Ca -0.13 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 2ju5 s PHE 112 Cb -0.16 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 2ju5 s PHE 112 CO 0.06 0.14 -0.12 0.96 0.70 0.00 0.00 175.22 176.96 2ju5 s ILE 113 N 0.84 1.17 0.62 0.64 -4.36 -0.15 -0.37 121.20 119.59 2ju5 s ILE 113 Ca 0.08 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 58.65 2ju5 s ILE 113 Cb -0.13 -1.58 0.13 0.00 1.25 0.00 0.00 42.46 42.13 2ju5 s ILE 113 CO 0.03 -0.56 0.85 -0.67 0.24 0.00 0.00 174.94 174.82 2ju5 n ASP 114 N 0.31 0.94 0.05 4.36 2.03 -0.08 0.82 116.55 124.99 2ju5 n ASP 114 Ca -0.14 -1.84 0.09 0.00 0.52 0.00 0.00 54.79 53.42 2ju5 n ASP 114 Cb 0.58 -0.57 0.39 0.00 -0.72 0.00 0.00 41.12 40.81 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ju5 n ALA 115 N -3.04 1.69 1.12 -1.67 0.00 -1.26 -1.62 120.51 115.74 2ju5 n ALA 115 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2ju5 n ALA 115 Cb 0.48 -1.30 0.18 0.00 0.00 0.00 0.00 19.45 18.80 2ju5 n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ju5 n GLU 116 N -1.80 1.85 -0.69 0.00 2.13 -1.26 -4.83 120.64 116.05 2ju5 n GLU 116 Ca 0.03 -1.44 0.00 0.00 0.66 0.00 0.00 57.16 56.42 2ju5 n GLU 116 Cb 0.20 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ju5 n GLY 117 N 1.33 0.62 3.74 8.31 0.00 -0.64 -5.04 105.19 113.51 2ju5 n GLY 117 Ca 0.14 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.77 4.60 -0.12 1.61 1.02 -1.26 -4.76 119.74 120.06 2ju5 s LYS 118 Ca 0.00 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 2ju5 s LYS 118 Cb 0.00 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 2ju5 s LYS 118 CO 0.00 0.24 1.00 -1.14 -0.92 0.00 0.00 175.35 174.53 2ju5 s GLN 119 N -0.01 4.41 -0.15 1.68 0.74 -1.26 -0.90 119.66 124.17 2ju5 s GLN 119 Ca 0.43 1.37 0.17 0.00 0.05 0.00 0.00 55.36 57.38 2ju5 s GLN 119 Cb -0.22 -3.55 -0.25 0.00 1.10 0.00 0.00 33.01 30.09 2ju5 s GLN 119 CO 0.27 -0.33 0.24 1.28 -0.55 0.00 0.00 175.29 176.19 2ju5 n LEU 120 N 5.09 0.19 -3.60 3.68 4.32 0.50 -4.98 117.00 122.20 2ju5 n LEU 120 Ca 0.09 0.09 0.01 0.00 -0.02 0.00 0.00 56.01 56.17 2ju5 n LEU 120 Cb 0.49 0.38 -0.01 0.00 -1.62 0.00 0.00 43.42 42.66 2ju5 n LEU 120 CO 0.52 0.42 1.11 0.00 -1.22 0.00 0.00 177.39 178.22 2ju5 s ALA 121 N -2.61 -2.28 -0.08 -1.18 0.00 -1.22 -4.63 121.76 109.76 2ju5 s ALA 121 Ca -0.09 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2ju5 s ALA 121 Cb 0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2ju5 s ALA 121 CO 0.83 -0.92 0.35 -0.98 0.00 0.00 0.00 175.76 175.04 2ju5 s ARG 122 N -2.28 0.56 0.08 0.00 1.70 -1.26 -0.21 118.95 117.54 2ju5 s ARG 122 Ca 0.13 0.17 -0.08 0.00 -0.47 0.00 0.00 55.73 55.49 2ju5 s ARG 122 Cb 0.04 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2ju5 s ARG 122 CO -0.05 -0.12 0.16 -1.64 -1.08 0.00 0.00 175.30 172.57 2ju5 s MET 123 N -0.56 0.80 0.00 3.89 -1.94 0.33 -4.99 119.30 116.82 2ju5 s MET 123 Ca -0.07 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2ju5 s MET 123 Cb -0.04 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.12 2ju5 s MET 123 CO 0.03 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 2ju5 n GLY 124 N 0.02 4.82 3.72 -0.03 0.00 -1.26 0.44 105.19 112.89 2ju5 n GLY 124 Ca -0.15 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 2.43 3.62 -0.12 1.61 5.36 -1.25 -4.88 117.98 124.75 2ju5 s PHE 125 Ca 0.00 1.59 -0.04 0.00 -0.96 0.00 0.00 56.93 57.53 2ju5 s PHE 125 Cb 0.00 -3.21 0.06 0.00 -0.34 0.00 0.00 43.02 39.53 2ju5 s PHE 125 CO 0.00 -0.41 0.19 -1.21 -1.46 0.00 0.00 175.22 172.33 2ju5 s GLU 126 N 0.59 0.09 0.88 10.12 2.02 -1.26 -5.10 118.70 126.03 2ju5 s GLU 126 Ca 0.52 0.49 -0.12 0.00 0.02 0.00 0.00 54.97 55.88 2ju5 s GLU 126 Cb -0.25 -0.50 0.07 0.00 0.10 0.00 0.00 34.13 33.55 2ju5 s GLU 126 CO 0.30 -0.40 0.87 -2.30 0.02 0.00 0.00 175.26 173.75 2ju5 n PRO 127 N 5.33 -0.14 0.00 0.39 -0.02 -1.26 -4.34 135.00 134.96 2ju5 n PRO 127 Ca -0.05 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ju5 n PRO 127 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.88 1.50 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.12 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 0.07 0.26 -0.02 0.00 -1.26 -4.37 105.19 99.86 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 0.94 0.96 -0.02 0.00 -1.86 -2.59 103.07 100.50 2ju5 h GLY 130 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2ju5 h GLY 130 CO 0.00 0.58 0.19 0.00 0.00 0.00 0.00 176.54 177.30 2ju5 h ALA 131 N 0.99 0.44 -0.45 3.60 0.00 -1.91 -2.32 119.26 119.61 2ju5 h ALA 131 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ju5 h ALA 131 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ju5 h ALA 131 CO 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.23 2ju5 h ALA 132 N 1.05 1.17 -0.72 0.00 0.00 -1.75 -2.88 119.26 116.14 2ju5 h ALA 132 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2ju5 h ALA 132 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 132 CO -0.02 0.54 0.32 -0.92 0.00 0.00 0.00 179.25 179.17 2ju5 h TYR 133 N 0.69 1.06 -0.50 0.00 3.20 -1.11 -2.71 116.97 117.61 2ju5 h TYR 133 Ca 0.14 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2ju5 h TYR 133 Cb 0.41 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2ju5 h TYR 133 CO 0.02 0.80 0.03 -0.39 -1.64 0.00 0.00 178.16 176.98 2ju5 h VAL 134 N 1.02 1.24 -0.78 1.81 -1.51 -1.22 -2.39 116.25 114.42 2ju5 h VAL 134 Ca 0.24 -0.96 0.04 0.00 -1.23 0.00 0.00 66.70 64.79 2ju5 h VAL 134 Cb 0.16 0.83 -0.05 0.00 -2.13 0.00 0.00 31.29 30.10 2ju5 h VAL 134 CO -0.03 0.34 0.49 0.28 -1.23 0.00 0.00 177.57 177.43 2ju5 h SER 135 N 0.76 0.80 -0.52 4.19 0.02 -1.32 -1.62 113.55 115.86 2ju5 h SER 135 Ca 0.15 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2ju5 h SER 135 Cb 0.42 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2ju5 h SER 135 CO 0.01 0.54 0.12 0.11 -1.14 0.00 0.00 176.83 176.48 2ju5 h LYS 136 N 0.94 0.83 -0.60 3.45 1.57 -1.29 -2.72 116.57 118.76 2ju5 h LYS 136 Ca 0.32 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2ju5 h LYS 136 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2ju5 h LYS 136 CO -0.13 0.80 0.01 -0.24 -0.57 0.00 0.00 179.45 179.32 2ju5 h VAL 137 N 0.72 1.27 -0.66 0.50 3.04 -1.11 -1.89 116.25 118.12 2ju5 h VAL 137 Ca 0.16 -1.14 0.01 0.00 -1.01 0.00 0.00 66.70 64.73 2ju5 h VAL 137 Cb 0.34 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 2ju5 h VAL 137 CO 0.00 0.41 0.43 0.11 -1.01 0.00 0.00 177.57 177.51 2ju5 h LYS 138 N 0.95 0.84 -0.43 4.17 1.57 -1.22 0.52 116.57 122.97 2ju5 h LYS 138 Ca 0.17 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2ju5 h LYS 138 CO 0.03 0.56 -0.17 0.66 -0.57 0.00 0.00 179.45 179.95 2ju5 h SER 139 N 0.87 0.82 -0.59 0.86 4.64 -1.34 -0.87 113.55 117.92 2ju5 h SER 139 Ca 0.25 -0.27 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 2ju5 h SER 139 Cb -0.07 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 2ju5 h SER 139 CO -0.07 0.98 -0.02 0.00 -0.87 0.00 0.00 176.83 176.85 2ju5 h ALA 140 N 1.09 0.80 -0.01 5.18 0.00 -0.67 -2.99 119.26 122.66 2ju5 h ALA 140 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ju5 h ALA 140 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ju5 h ALA 140 CO 0.05 0.66 -0.15 1.28 0.00 0.00 0.00 179.25 181.09 2ju5 n LEU 141 N -4.18 1.16 -3.15 0.00 4.32 0.11 -4.66 117.00 110.61 2ju5 n LEU 141 Ca 0.03 -0.33 -0.16 0.00 -0.02 0.00 0.00 56.01 55.52 2ju5 n LEU 141 Cb 0.36 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.16 2ju5 n LEU 141 CO 0.45 0.21 0.13 0.29 -1.22 0.00 0.00 177.39 177.24 2ju5 n LYS 142 N -0.37 -6.12 -3.41 3.23 4.76 -0.45 -4.98 118.16 110.82 2ju5 n LYS 142 Ca 0.15 0.74 -0.39 0.00 -2.87 0.00 0.00 58.31 55.94 2ju5 n LYS 142 Cb 0.35 -5.45 -0.09 0.00 -1.84 0.00 0.00 35.03 28.00 2ju5 n LYS 142 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ju5 s LEU 143 N -6.00 4.08 0.00 -0.35 1.02 -0.53 -5.05 118.68 111.85 2ju5 s LEU 143 Ca 0.14 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2ju5 s LEU 143 Cb -0.06 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.72 2ju5 s LEU 143 CO 0.64 -0.13 0.00 -1.14 0.02 0.00 0.00 176.35 175.74