#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 3.76 0.12 0.00 0.52 -1.26 -5.06 118.95 117.03 2ju5 s ARG 2 Ca 0.00 -0.24 -0.31 0.00 -0.52 0.00 0.00 55.73 54.66 2ju5 s ARG 2 Cb 0.00 -3.22 -0.08 0.00 0.52 0.00 0.00 34.95 32.16 2ju5 s ARG 2 CO 0.00 0.50 1.41 0.50 0.02 0.00 0.00 175.30 177.72 2ju5 s ARG 3 N -0.23 4.31 0.07 3.54 3.52 -1.26 -4.98 118.95 123.92 2ju5 s ARG 3 Ca 0.10 2.10 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 2ju5 s ARG 3 Cb -0.12 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 2ju5 s ARG 3 CO 0.01 -0.45 0.88 1.03 -0.81 0.00 0.00 175.30 175.95 2ju5 s ARG 4 N 1.10 4.60 0.00 5.12 0.52 -1.26 -4.89 118.95 124.14 2ju5 s ARG 4 Ca 0.65 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 2ju5 s ARG 4 Cb -0.38 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.72 2ju5 s ARG 4 CO 0.30 0.22 0.27 0.00 0.02 0.00 0.00 175.30 176.12 2ju5 n ALA 5 N 2.88 0.93 -0.34 2.13 0.00 -1.26 -4.85 120.51 120.00 2ju5 n ALA 5 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 2ju5 n ALA 5 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 1.05 0.00 0.00 0.02 -2.03 -3.34 113.55 109.25 2ju5 h SER 6 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ju5 h SER 6 Cb 0.96 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2ju5 h SER 6 CO 0.00 0.76 -0.54 0.61 -1.14 0.00 0.00 176.83 176.52 2ju5 n GLY 7 N -1.35 -0.75 3.05 -3.77 0.00 -1.26 -5.06 105.19 96.05 2ju5 n GLY 7 Ca 0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2ju5 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ju5 n GLU 8 N -4.10 -2.09 -3.98 1.61 2.13 -1.26 -4.98 120.64 107.98 2ju5 n GLU 8 Ca -0.08 1.83 -0.35 0.00 0.66 0.00 0.00 57.16 59.23 2ju5 n GLU 8 Cb 0.28 -4.89 -0.11 0.00 0.27 0.00 0.00 31.44 26.99 2ju5 n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2ju5 s ASN 9 N -2.49 5.32 -0.12 4.31 0.01 -1.26 -5.09 114.94 115.62 2ju5 s ASN 9 Ca 0.22 -0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.32 2ju5 s ASN 9 Cb -0.05 -1.92 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 2ju5 s ASN 9 CO 0.79 0.10 -0.15 -0.76 -1.51 0.00 0.00 177.10 175.57 2ju5 s LEU 10 N 0.83 2.63 -0.23 0.60 1.43 -1.26 -5.10 118.68 117.57 2ju5 s LEU 10 Ca 0.03 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2ju5 s LEU 10 Cb -0.14 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2ju5 s LEU 10 CO 0.02 0.17 0.03 -1.10 0.23 0.00 0.00 176.35 175.70 2ju5 s GLN 11 N 0.32 3.59 -0.03 1.70 -0.21 -1.26 -5.09 119.66 118.69 2ju5 s GLN 11 Ca -0.12 -0.52 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 2ju5 s GLN 11 Cb -0.16 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 2ju5 s GLN 11 CO 0.06 -0.15 0.64 -0.65 -2.12 0.00 0.00 175.29 173.08 2ju5 s GLN 12 N 1.45 4.38 0.09 2.91 -0.21 -1.26 -5.06 119.66 121.97 2ju5 s GLN 12 Ca 0.05 0.80 -0.02 0.00 0.02 0.00 0.00 55.36 56.22 2ju5 s GLN 12 Cb -0.15 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 2ju5 s GLN 12 CO 0.02 0.24 0.04 -0.08 -2.12 0.00 0.00 175.29 173.38 2ju5 s THR 13 N 0.22 0.16 -0.48 -0.19 -1.32 -1.26 -5.12 115.64 107.64 2ju5 s THR 13 Ca 0.34 -1.79 0.07 0.00 -1.21 0.00 0.00 61.69 59.09 2ju5 s THR 13 Cb -0.18 -1.75 0.19 0.00 -1.51 0.00 0.00 72.50 69.24 2ju5 s THR 13 CO 0.18 -0.71 0.67 0.00 -2.21 0.00 0.00 174.62 172.55 2ju5 s ARG 14 N -3.97 1.00 0.57 7.08 1.70 -1.26 -5.15 118.95 118.90 2ju5 s ARG 14 Ca 0.15 -0.96 -0.21 0.00 -0.47 0.00 0.00 55.73 54.24 2ju5 s ARG 14 Cb 0.07 -0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.27 2ju5 s ARG 14 CO -0.04 -1.30 1.26 -2.30 -1.08 0.00 0.00 175.30 171.84 2ju5 n PRO 15 N 3.30 1.44 -4.27 3.89 -0.02 -1.26 -5.01 135.00 133.07 2ju5 n PRO 15 Ca 0.17 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 2ju5 n PRO 15 Cb 0.55 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 2ju5 n PRO 15 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ju5 s ILE 16 N -1.34 3.00 -1.57 4.25 1.01 -1.26 -4.97 121.20 120.32 2ju5 s ILE 16 Ca 0.74 -0.64 0.15 0.00 0.00 0.00 0.00 60.65 60.89 2ju5 s ILE 16 Cb -0.42 -2.31 0.26 0.00 0.01 0.00 0.00 42.46 40.00 2ju5 s ILE 16 CO 0.48 0.48 1.15 0.00 0.00 0.00 0.00 174.94 177.05 2ju5 n ALA 17 N 4.29 2.36 -0.32 9.38 0.00 -1.26 -4.52 120.51 130.44 2ju5 n ALA 17 Ca -0.19 -0.89 -0.04 0.00 0.00 0.00 0.00 53.44 52.33 2ju5 n ALA 17 Cb 0.51 -0.54 0.08 0.00 0.00 0.00 0.00 19.45 19.50 2ju5 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 h ALA 18 N 2.83 1.09 -2.78 0.00 0.00 -2.03 -3.40 119.26 114.97 2ju5 h ALA 18 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 2ju5 h ALA 18 Cb 0.71 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2ju5 h ALA 18 CO 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.75 2ju5 s ALA 19 N -6.10 3.40 0.21 0.00 0.00 -1.26 -5.05 121.76 112.95 2ju5 s ALA 19 Ca -0.13 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 2ju5 s ALA 19 Cb 0.16 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 2ju5 s ALA 19 CO 0.80 -0.04 0.39 0.54 0.00 0.00 0.00 175.76 177.45 2ju5 s ASN 20 N 0.65 -0.05 0.37 0.00 6.03 -1.26 -5.10 114.94 115.59 2ju5 s ASN 20 Ca 0.33 -0.90 -0.26 0.00 -1.03 0.00 0.00 52.86 51.00 2ju5 s ASN 20 Cb -0.17 0.52 -0.09 0.00 -3.03 0.00 0.00 41.25 38.48 2ju5 s ASN 20 CO 0.15 -1.03 1.15 -0.22 -2.03 0.00 0.00 177.10 175.12 2ju5 s LEU 21 N -3.00 4.28 -0.44 3.54 2.96 -1.26 -4.99 118.68 119.77 2ju5 s LEU 21 Ca 0.21 2.32 -0.16 0.00 -0.22 0.00 0.00 54.13 56.28 2ju5 s LEU 21 Cb 0.01 -3.93 0.04 0.00 0.50 0.00 0.00 46.19 42.81 2ju5 s LEU 21 CO 0.05 -0.53 0.37 -1.10 -1.32 0.00 0.00 176.35 173.82 2ju5 s GLN 22 N -2.11 3.00 0.14 1.98 -0.21 -1.26 -5.05 119.66 116.16 2ju5 s GLN 22 Ca 0.54 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 2ju5 s GLN 22 Cb -0.30 -4.04 -0.07 0.00 1.00 0.00 0.00 33.01 29.60 2ju5 s GLN 22 CO 0.39 -0.89 1.06 -1.58 -2.12 0.00 0.00 175.29 172.15 2ju5 s TRP 23 N 1.79 3.65 0.31 0.91 0.51 -1.26 -4.53 118.94 120.32 2ju5 s TRP 23 Ca 0.06 1.64 0.08 0.00 -2.12 0.00 0.00 56.10 55.76 2ju5 s TRP 23 Cb -0.21 -3.21 -0.06 0.00 -0.81 0.00 0.00 33.47 29.18 2ju5 s TRP 23 CO 0.09 -0.39 -0.06 -1.21 -0.51 0.00 0.00 176.95 174.87 2ju5 s GLU 24 N -0.08 1.68 0.60 4.98 2.02 -0.94 -5.06 118.70 121.89 2ju5 s GLU 24 Ca 0.49 -1.87 -0.09 0.00 0.02 0.00 0.00 54.97 53.52 2ju5 s GLU 24 Cb -0.27 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 2ju5 s GLU 24 CO 0.33 0.06 0.97 -1.54 0.02 0.00 0.00 175.26 175.09 2ju5 s SER 25 N -3.52 6.07 0.19 -0.19 1.04 -1.26 -4.32 113.70 111.71 2ju5 s SER 25 Ca 0.31 1.20 -0.12 0.00 0.48 0.00 0.00 55.95 57.83 2ju5 s SER 25 Cb 0.04 -2.27 0.10 0.00 0.10 0.00 0.00 66.02 63.99 2ju5 s SER 25 CO 0.14 -0.88 1.81 0.22 0.98 0.00 0.00 173.24 175.50 2ju5 h TYR 26 N -0.23 0.86 -0.47 5.02 5.03 -1.94 0.36 116.97 125.61 2ju5 h TYR 26 Ca -0.45 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.74 2ju5 h TYR 26 Cb 1.21 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.19 2ju5 h TYR 26 CO 0.60 0.61 -0.14 0.00 -1.32 0.00 0.00 178.16 177.91 2ju5 h ALA 27 N 1.18 0.86 -0.49 1.82 0.00 -2.00 -2.77 119.26 117.85 2ju5 h ALA 27 Ca 0.23 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2ju5 h ALA 27 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ju5 h ALA 27 CO -0.04 0.64 -0.22 0.93 0.00 0.00 0.00 179.25 180.57 2ju5 h GLU 28 N 0.79 1.01 -0.36 0.00 5.08 -1.77 -2.71 114.58 116.61 2ju5 h GLU 28 Ca 0.12 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2ju5 h GLU 28 Cb 0.67 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2ju5 h GLU 28 CO 0.05 1.11 0.20 0.00 -1.00 0.00 0.00 179.01 179.38 2ju5 h ALA 29 N 0.87 0.45 -0.66 3.43 0.00 -0.11 -1.43 119.26 121.82 2ju5 h ALA 29 Ca 0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ju5 h ALA 29 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2ju5 h ALA 29 CO 0.07 -0.15 0.16 -0.07 0.00 0.00 0.00 179.25 179.26 2ju5 h LEU 30 N 0.42 1.00 -0.54 0.00 3.38 -1.48 0.29 115.31 118.37 2ju5 h LEU 30 Ca 0.15 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ju5 h LEU 30 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2ju5 h LEU 30 CO -0.08 0.98 0.33 -0.33 0.09 0.00 0.00 178.44 179.43 2ju5 h GLU 31 N 0.98 0.63 -0.42 1.13 5.08 -1.13 0.34 114.58 121.20 2ju5 h GLU 31 Ca 0.21 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2ju5 h GLU 31 Cb 0.36 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2ju5 h GLU 31 CO 0.00 0.42 -0.10 0.45 -1.00 0.00 0.00 179.01 178.78 2ju5 h HIS 32 N 0.65 0.91 -0.58 4.33 3.86 -0.94 -3.05 115.15 120.33 2ju5 h HIS 32 Ca 0.22 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2ju5 h HIS 32 Cb 0.02 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 2ju5 h HIS 32 CO -0.06 0.92 0.17 0.77 0.86 0.00 0.00 177.93 180.59 2ju5 h SER 33 N 0.63 0.82 -0.20 2.45 0.02 -0.23 2.45 113.55 119.48 2ju5 h SER 33 Ca 0.11 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 33 Cb 0.63 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2ju5 h SER 33 CO 0.04 0.78 0.14 0.11 -1.14 0.00 0.00 176.83 176.76 2ju5 h LYS 34 N 0.85 0.06 0.02 3.45 1.57 -0.24 1.91 116.57 124.19 2ju5 h LYS 34 Ca 0.19 -0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.57 2ju5 h LYS 34 Cb 0.27 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2ju5 h LYS 34 CO -0.01 0.04 -2.32 1.04 -0.57 0.00 0.00 179.45 177.63 2ju5 n GLN 35 N -4.49 0.64 0.04 3.15 6.02 -0.42 -4.62 117.38 117.71 2ju5 n GLN 35 Ca 0.02 0.24 0.09 0.00 -0.01 0.00 0.00 57.00 57.33 2ju5 n GLN 35 Cb 0.24 -1.56 -0.08 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 -3.69 0.47 -0.35 1.08 8.00 0.81 -4.98 116.55 117.89 2ju5 n ASP 36 Ca -0.45 0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.19 2ju5 n ASP 36 Cb 0.94 1.06 -0.02 0.00 -0.02 0.00 0.00 41.12 43.09 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 -2.54 0.00 -2.42 1.24 8.25 0.65 -4.95 115.22 115.45 2ju5 n HIS 37 Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 2ju5 n HIS 37 Cb 0.62 -1.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 2ju5 n HIS 37 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ju5 s LYS 38 N -1.82 4.36 0.63 -0.41 1.02 -1.26 -4.88 119.74 117.38 2ju5 s LYS 38 Ca 0.00 1.73 -0.18 0.00 0.02 0.00 0.00 55.97 57.55 2ju5 s LYS 38 Cb 0.00 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2ju5 s LYS 38 CO 0.00 -0.43 0.99 -2.30 -0.92 0.00 0.00 175.35 172.69 2ju5 n PRO 39 N 4.99 0.84 -4.48 -1.68 -0.02 -1.26 -4.62 135.00 128.76 2ju5 n PRO 39 Ca 0.11 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2ju5 n PRO 39 Cb 0.46 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.70 -0.27 4.25 1.01 0.10 -1.99 121.20 126.45 2ju5 s ILE 40 Ca 0.77 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2ju5 s ILE 40 Cb -0.40 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2ju5 s ILE 40 CO 0.46 0.50 0.08 -0.83 0.00 0.00 0.00 174.94 175.15 2ju5 s GLY 41 N 0.36 1.77 -0.25 6.18 0.00 -0.39 -1.49 107.32 113.51 2ju5 s GLY 41 Ca -0.06 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 2ju5 s GLY 41 CO 0.04 0.59 0.27 1.08 0.00 0.00 0.00 173.10 175.07 2ju5 s LEU 42 N 1.56 4.08 -0.47 0.66 1.02 -0.99 -0.82 118.68 123.72 2ju5 s LEU 42 Ca 0.05 0.20 -0.18 0.00 0.02 0.00 0.00 54.13 54.22 2ju5 s LEU 42 Cb -0.16 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 43.83 2ju5 s LEU 42 CO 0.03 -0.06 0.54 0.12 0.02 0.00 0.00 176.35 177.00 2ju5 s PHE 43 N 1.55 3.11 -0.26 0.29 5.36 0.06 -3.09 117.98 125.00 2ju5 s PHE 43 Ca 0.11 -0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 55.45 2ju5 s PHE 43 Cb -0.15 -3.27 -0.04 0.00 -0.34 0.00 0.00 43.02 39.22 2ju5 s PHE 43 CO 0.08 -0.88 0.38 -0.06 -1.46 0.00 0.00 175.22 173.28 2ju5 s PHE 44 N 2.37 3.26 0.21 10.12 0.08 -0.91 -0.75 117.98 132.36 2ju5 s PHE 44 Ca 0.14 0.44 -0.05 0.00 0.12 0.00 0.00 56.93 57.57 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 0.13 -0.21 0.36 0.25 -0.10 0.00 0.00 175.22 175.65 2ju5 n THR 45 N 5.04 0.00 -3.67 0.64 -2.24 -0.92 -2.76 114.28 110.37 2ju5 n THR 45 Ca -0.08 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 2ju5 n THR 45 Cb 0.51 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.17 1.68 0.40 3.38 0.00 -1.26 0.28 107.32 109.62 2ju5 s GLY 46 Ca 0.12 -2.64 0.15 0.00 0.00 0.00 0.00 44.72 42.34 2ju5 s GLY 46 CO 0.09 1.61 1.87 0.23 0.00 0.00 0.00 173.10 176.89 2ju5 h SER 47 N 6.49 0.48 -0.01 1.64 0.87 -1.89 -1.93 113.55 119.20 2ju5 h SER 47 Ca 0.05 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2ju5 h SER 47 Cb 0.91 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2ju5 h SER 47 CO 0.48 0.21 -0.39 0.47 -0.53 0.00 0.00 176.83 177.06 2ju5 n ASP 48 N -4.53 1.73 0.00 6.23 8.00 -1.26 -4.75 116.55 121.97 2ju5 n ASP 48 Ca 0.18 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2ju5 n ASP 48 Cb 0.61 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 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 -0.13 0.00 -3.63 1.24 4.27 -1.08 -4.83 117.44 113.28 2ju5 n TRP 49 Ca 0.07 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.34 2ju5 n TRP 49 Cb 0.38 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 0.97 0.74 0.26 0.00 1.56 -1.26 -4.11 117.12 115.29 2ju5 n MET 51 Ca -0.09 0.09 0.10 0.00 -0.27 0.00 0.00 57.70 57.52 2ju5 n MET 51 Cb 0.52 -1.44 0.67 0.00 2.15 0.00 0.00 33.22 35.13 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 -0.28 1.12 6.55 -1.95 -1.01 115.95 120.38 2ju5 h TRP 52 Ca -0.48 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.24 2ju5 h TRP 52 Cb 1.84 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 30.14 2ju5 h TRP 52 CO 0.02 0.08 -0.30 0.00 -1.05 0.00 0.00 178.44 177.19 2ju5 h ILE 54 N 0.45 1.12 -0.57 0.00 2.04 -1.38 0.72 117.51 119.88 2ju5 h ILE 54 Ca 0.04 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2ju5 h ILE 54 Cb 0.87 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2ju5 h ILE 54 CO 0.07 0.15 0.30 0.11 0.00 0.00 0.00 178.15 178.78 2ju5 h LYS 55 N 0.81 0.81 -0.55 2.37 1.79 -1.04 0.38 116.57 121.15 2ju5 h LYS 55 Ca 0.24 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2ju5 h LYS 55 Cb -0.04 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.43 2ju5 h LYS 55 CO -0.08 0.64 0.29 1.98 -1.08 0.00 0.00 179.45 181.20 2ju5 h MET 56 N 0.77 0.77 -0.09 3.15 4.05 -0.34 0.46 114.93 123.71 2ju5 h MET 56 Ca 0.20 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2ju5 h MET 56 Cb 0.07 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2ju5 h MET 56 CO -0.03 0.60 0.01 1.96 0.23 0.00 0.00 176.91 179.68 2ju5 h GLN 57 N 0.73 0.14 -0.41 0.39 4.20 -0.47 0.24 115.11 119.94 2ju5 h GLN 57 Ca 0.19 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 2ju5 h GLN 57 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2ju5 h GLN 57 CO -0.03 0.38 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.77 2ju5 h ASP 58 N -0.11 0.94 0.61 1.46 3.32 -0.07 -0.45 116.42 122.13 2ju5 h ASP 58 Ca 0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 57.03 56.50 2ju5 h ASP 58 Cb 0.31 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2ju5 h ASP 58 CO 0.00 1.16 -1.52 0.00 -1.72 0.00 0.00 179.24 177.17 2ju5 n GLN 59 N -4.08 0.63 0.01 3.56 6.02 0.16 -4.45 117.38 119.23 2ju5 n GLN 59 Ca -0.01 0.20 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 2ju5 n GLN 59 Cb 0.49 -1.78 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 2ju5 n GLN 59 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2ju5 n ILE 60 N -2.88 0.99 -0.34 5.09 5.41 0.82 -3.52 119.36 124.92 2ju5 n ILE 60 Ca -0.12 0.22 -0.01 0.00 1.00 0.00 0.00 62.75 63.85 2ju5 n ILE 60 Cb 0.87 -1.69 0.15 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 -0.20 1.08 -0.89 1.39 -0.00 -1.33 -2.01 115.31 113.35 2ju5 h LEU 61 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2ju5 h LEU 61 Cb 0.48 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2ju5 h LEU 61 CO -0.03 0.77 0.00 0.00 -0.00 0.00 0.00 178.44 179.18 2ju5 n GLN 62 N -4.40 1.60 -2.57 1.13 6.02 -0.19 -4.29 117.38 114.68 2ju5 n GLN 62 Ca 0.12 -0.88 -0.32 0.00 -0.01 0.00 0.00 57.00 55.91 2ju5 n GLN 62 Cb 0.04 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.79 6.62 0.17 1.08 0.01 -0.75 -4.91 113.70 114.12 2ju5 s SER 63 Ca 0.36 1.45 -0.15 0.00 1.31 0.00 0.00 55.95 58.93 2ju5 s SER 63 Cb 0.19 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 64.01 2ju5 s SER 63 CO 0.30 -0.51 1.82 -1.28 0.41 0.00 0.00 173.24 173.98 2ju5 h SER 64 N 1.11 0.58 -0.31 2.44 0.87 -1.91 -0.25 113.55 116.08 2ju5 h SER 64 Ca -0.47 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 2ju5 h SER 64 Cb 1.18 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2ju5 h SER 64 CO 0.62 0.44 0.14 -0.33 -0.53 0.00 0.00 176.83 177.17 2ju5 h GLU 65 N 0.67 0.46 -0.43 2.24 3.07 -1.91 0.33 114.58 119.00 2ju5 h GLU 65 Ca 0.18 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 2ju5 h GLU 65 Cb -0.05 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2ju5 h GLU 65 CO -0.04 0.44 0.13 0.35 -1.40 0.00 0.00 179.01 178.50 2ju5 h PHE 66 N 0.36 0.70 -0.48 4.33 3.04 -1.74 0.43 116.94 123.58 2ju5 h PHE 66 Ca 0.11 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2ju5 h PHE 66 Cb 0.15 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 2ju5 h PHE 66 CO -0.01 0.64 0.28 0.87 -2.02 0.00 0.00 178.31 178.07 2ju5 h LYS 67 N 0.56 0.66 -0.25 1.11 1.57 -0.88 0.31 116.57 119.65 2ju5 h LYS 67 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2ju5 h LYS 67 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2ju5 h LYS 67 CO -0.00 0.50 -0.04 1.25 -0.57 0.00 0.00 179.45 180.59 2ju5 h HIS 68 N 0.64 0.52 0.02 -1.35 2.76 -0.78 -0.20 115.15 116.77 2ju5 h HIS 68 Ca 0.17 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ju5 h HIS 68 Cb 0.01 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2ju5 h HIS 68 CO -0.02 0.67 -0.01 0.35 -1.30 0.00 0.00 177.93 177.62 2ju5 h PHE 69 N 0.22 -0.02 -0.36 5.26 3.57 -0.66 -2.56 116.94 122.39 2ju5 h PHE 69 Ca 0.07 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2ju5 h PHE 69 Cb 0.49 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2ju5 h PHE 69 CO 0.05 0.06 -0.18 0.00 -2.23 0.00 0.00 178.31 176.00 2ju5 h ALA 70 N 0.88 1.00 -0.44 2.41 0.00 -0.39 0.27 119.26 122.99 2ju5 h ALA 70 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2ju5 h ALA 70 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2ju5 h ALA 70 CO 0.00 0.59 -0.07 0.78 0.00 0.00 0.00 179.25 180.55 2ju5 h GLY 71 N 0.98 0.83 0.67 0.00 0.00 -0.96 0.23 103.07 104.83 2ju5 h GLY 71 Ca 0.09 -0.60 -0.29 0.00 0.00 0.00 0.00 47.33 46.53 2ju5 h GLY 71 CO 0.05 0.55 -1.48 -2.08 0.00 0.00 0.00 176.54 173.58 2ju5 h VAL 72 N 0.71 1.03 -0.01 4.60 2.07 -1.33 -3.41 116.25 119.91 2ju5 h VAL 72 Ca 0.13 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2ju5 h VAL 72 Cb 0.54 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2ju5 h VAL 72 CO 0.03 0.75 -0.36 1.41 0.02 0.00 0.00 177.57 179.43 2ju5 n HIS 73 N -3.84 0.00 -4.16 1.57 -0.00 0.93 -5.08 115.22 104.65 2ju5 n HIS 73 Ca -0.24 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.37 2ju5 n HIS 73 Cb 0.95 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.84 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 -2.04 1.40 -0.18 2.41 1.02 0.82 -4.24 118.68 117.87 2ju5 s LEU 74 Ca 0.09 -1.28 -0.02 0.00 0.02 0.00 0.00 54.13 52.95 2ju5 s LEU 74 Cb 0.10 0.41 -0.00 0.00 0.02 0.00 0.00 46.19 46.72 2ju5 s LEU 74 CO 0.38 -0.80 -0.10 -1.00 0.02 0.00 0.00 176.35 174.84 2ju5 s HIS 75 N -4.10 2.87 -0.14 0.29 3.76 -0.84 -4.51 115.29 112.62 2ju5 s HIS 75 Ca 0.31 -1.00 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 2ju5 s HIS 75 Cb 0.07 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2ju5 s HIS 75 CO 0.07 -0.50 0.14 1.41 -0.85 0.00 0.00 174.74 175.00 2ju5 s MET 76 N 1.09 3.65 -0.09 1.40 1.75 -1.26 -1.26 119.30 124.59 2ju5 s MET 76 Ca 0.00 -0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.31 2ju5 s MET 76 Cb -0.15 -3.26 0.01 0.00 2.84 0.00 0.00 34.83 34.28 2ju5 s MET 76 CO -0.03 0.64 -0.17 0.08 -0.65 0.00 0.00 175.02 174.89 2ju5 s VAL 77 N -0.63 1.57 -0.23 10.11 1.01 0.00 -2.21 120.40 130.02 2ju5 s VAL 77 Ca 0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 2ju5 s VAL 77 Cb -0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2ju5 s VAL 77 CO 0.02 0.45 0.33 -0.70 0.00 0.00 0.00 175.10 175.20 2ju5 s GLU 78 N 0.65 4.11 -0.38 2.72 2.12 -1.26 -0.76 118.70 125.91 2ju5 s GLU 78 Ca -0.14 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.25 2ju5 s GLU 78 Cb -0.16 -3.56 0.12 0.00 0.26 0.00 0.00 34.13 30.78 2ju5 s GLU 78 CO 0.04 -0.06 0.15 0.08 -0.54 0.00 0.00 175.26 174.93 2ju5 s VAL 79 N 1.39 1.38 -0.12 3.70 1.01 0.08 -4.91 120.40 122.92 2ju5 s VAL 79 Ca 0.15 -2.09 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 2ju5 s VAL 79 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2ju5 s VAL 79 CO 0.07 -0.76 0.08 -1.81 0.00 0.00 0.00 175.10 172.69 2ju5 s ASP 80 N 0.92 5.90 -0.56 3.32 1.01 -1.26 -2.17 116.67 123.83 2ju5 s ASP 80 Ca 0.13 0.29 0.05 0.00 0.71 0.00 0.00 52.55 53.74 2ju5 s ASP 80 Cb -0.21 -1.87 0.19 0.00 1.01 0.00 0.00 42.92 42.04 2ju5 s ASP 80 CO -0.11 0.35 0.49 0.49 0.21 0.00 0.00 175.17 176.59 2ju5 n PHE 81 N 2.38 1.55 -1.99 4.23 3.01 0.14 -4.95 117.46 121.83 2ju5 n PHE 81 Ca -0.19 -3.88 -0.28 0.00 1.01 0.00 0.00 57.45 54.11 2ju5 n PHE 81 Cb 0.54 -0.30 0.09 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.11 1.95 0.11 -1.08 0.04 -1.26 -4.23 135.00 129.41 2ju5 s PRO 82 Ca 0.31 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.23 2ju5 s PRO 82 Cb 0.04 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 2ju5 s PRO 82 CO -0.15 -1.55 1.26 -0.56 0.04 0.00 0.00 177.00 176.05 2ju5 h GLN 83 N -0.97 0.58 -3.95 4.56 3.07 -1.93 -3.37 115.11 113.11 2ju5 h GLN 83 Ca -0.45 -0.60 -0.76 0.00 0.09 0.00 0.00 58.65 56.92 2ju5 h GLN 83 Cb 1.32 0.16 -0.27 0.00 0.08 0.00 0.00 27.48 28.78 2ju5 h GLN 83 CO 0.63 1.21 -0.11 0.21 0.09 0.00 0.00 178.83 180.86 2ju5 s LYS 84 N -3.37 3.15 -0.71 0.06 2.20 -1.26 -5.02 119.74 114.80 2ju5 s LYS 84 Ca -0.08 -2.14 -0.16 0.00 -0.36 0.00 0.00 55.97 53.23 2ju5 s LYS 84 Cb 0.08 -4.25 0.16 0.00 -1.51 0.00 0.00 37.83 32.31 2ju5 s LYS 84 CO 0.89 -1.28 0.73 1.21 -0.36 0.00 0.00 175.35 176.54 2ju5 s ASN 85 N 2.53 6.46 -0.41 1.43 3.84 -1.26 -4.87 114.94 122.66 2ju5 s ASN 85 Ca 0.11 -2.08 0.06 0.00 0.21 0.00 0.00 52.86 51.16 2ju5 s ASN 85 Cb -0.20 -2.26 0.69 0.00 -0.55 0.00 0.00 41.25 38.94 2ju5 s ASN 85 CO -0.04 -0.84 1.89 1.41 -2.79 0.00 0.00 177.10 176.73 2ju5 n HIS 86 N 5.18 2.89 -2.86 0.43 8.25 -1.26 -4.97 115.22 122.88 2ju5 n HIS 86 Ca 0.02 -1.66 -0.32 0.00 -0.26 0.00 0.00 57.72 55.50 2ju5 n HIS 86 Cb 0.44 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 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 -3.21 4.01 0.68 -0.41 -0.21 -1.26 -5.04 119.66 114.21 2ju5 s GLN 87 Ca 0.56 0.80 -0.17 0.00 0.02 0.00 0.00 55.36 56.57 2ju5 s GLN 87 Cb 0.47 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 32.18 2ju5 s GLN 87 CO 0.12 -0.01 1.17 -2.30 -2.12 0.00 0.00 175.29 172.14 2ju5 n PRO 88 N -0.85 0.84 -0.22 2.91 -0.02 -1.26 -4.69 135.00 131.71 2ju5 n PRO 88 Ca 0.05 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 2ju5 n PRO 88 Cb 0.54 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.74 2ju5 n PRO 88 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ju5 h GLU 89 N 0.18 0.35 -0.92 -0.52 5.08 -1.99 -0.24 114.58 116.52 2ju5 h GLU 89 Ca -0.49 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 2ju5 h GLU 89 Cb 1.34 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2ju5 h GLU 89 CO 0.50 0.23 0.59 0.93 -1.00 0.00 0.00 179.01 180.26 2ju5 h GLU 90 N 0.36 1.09 -0.40 2.33 5.08 -2.00 0.61 114.58 121.65 2ju5 h GLU 90 Ca 0.34 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2ju5 h GLU 90 Cb 0.48 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ju5 h GLU 90 CO -0.37 0.72 -0.30 0.37 -1.00 0.00 0.00 179.01 178.42 2ju5 h GLN 91 N 1.12 0.88 -0.45 2.33 4.15 -1.58 -2.08 115.11 119.48 2ju5 h GLN 91 Ca 0.38 -0.41 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 2ju5 h GLN 91 Cb 0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2ju5 h GLN 91 CO -0.14 1.06 0.01 0.00 -1.93 0.00 0.00 178.83 177.84 2ju5 h ARG 92 N 0.74 0.79 -0.43 1.69 3.08 -0.32 -1.19 114.38 118.75 2ju5 h ARG 92 Ca 0.08 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2ju5 h ARG 92 Cb 0.87 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2ju5 h ARG 92 CO 0.08 0.84 0.16 1.96 -1.07 0.00 0.00 179.97 181.94 2ju5 h GLN 93 N 0.64 0.64 -0.27 0.04 1.08 -0.84 -1.82 115.11 114.58 2ju5 h GLN 93 Ca 0.13 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2ju5 h GLN 93 Cb 0.48 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2ju5 h GLN 93 CO 0.02 0.60 0.17 -0.22 -0.95 0.00 0.00 178.83 178.45 2ju5 h LYS 94 N 0.54 0.36 -0.91 1.46 3.64 -1.29 -1.48 116.57 118.90 2ju5 h LYS 94 Ca 0.14 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2ju5 h LYS 94 Cb 0.21 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2ju5 h LYS 94 CO -0.01 0.27 0.60 -0.91 -2.27 0.00 0.00 179.45 177.14 2ju5 h ASN 95 N 0.34 1.04 -0.68 4.20 -0.26 -1.07 -0.79 115.58 118.36 2ju5 h ASN 95 Ca 0.10 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 2ju5 h ASN 95 Cb 0.00 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 36.98 2ju5 h ASN 95 CO -0.02 0.75 0.15 1.56 -1.06 0.00 0.00 177.43 178.81 2ju5 h GLN 96 N 1.23 1.11 -0.53 0.81 1.08 -1.04 -0.10 115.11 117.67 2ju5 h GLN 96 Ca 0.34 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2ju5 h GLN 96 Cb -0.13 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ju5 h GLN 96 CO -0.08 0.99 0.24 1.49 -0.95 0.00 0.00 178.83 180.53 2ju5 h GLU 97 N 1.04 0.78 -0.66 1.46 4.81 -0.62 -1.80 114.58 119.58 2ju5 h GLU 97 Ca 0.21 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2ju5 h GLU 97 Cb 0.40 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2ju5 h GLU 97 CO 0.01 0.65 0.14 -0.07 -0.73 0.00 0.00 179.01 179.01 2ju5 h LEU 98 N 0.72 1.02 -1.27 1.64 4.07 -0.86 0.87 115.31 121.49 2ju5 h LEU 98 Ca 0.18 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2ju5 h LEU 98 Cb 0.14 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2ju5 h LEU 98 CO -0.02 1.00 0.35 0.50 -1.08 0.00 0.00 178.44 179.19 2ju5 h LYS 99 N 1.00 0.84 0.16 1.13 3.64 -0.71 -0.95 116.57 121.68 2ju5 h LYS 99 Ca 0.20 -0.08 -0.32 0.00 -1.27 0.00 0.00 60.65 59.18 2ju5 h LYS 99 Cb 0.40 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2ju5 h LYS 99 CO 0.01 0.61 -1.55 0.00 -2.27 0.00 0.00 179.45 176.25 2ju5 h ALA 100 N 1.53 0.14 -0.58 5.00 0.00 -0.88 0.96 119.26 125.43 2ju5 h ALA 100 Ca 0.22 -1.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 2ju5 h ALA 100 Cb 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ju5 h ALA 100 CO -0.04 1.01 0.21 0.37 0.00 0.00 0.00 179.25 180.80 2ju5 h GLN 101 N 0.09 0.88 -0.24 0.00 4.15 0.11 -2.20 115.11 117.90 2ju5 h GLN 101 Ca -0.26 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2ju5 h GLN 101 Cb 2.06 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.62 2ju5 h GLN 101 CO 0.19 0.78 0.00 0.66 -1.93 0.00 0.00 178.83 178.53 2ju5 n TYR 102 N -4.45 0.32 -3.83 3.99 4.02 -0.39 -4.91 117.16 111.90 2ju5 n TYR 102 Ca 0.03 -0.16 -0.25 0.00 -0.01 0.00 0.00 57.90 57.51 2ju5 n TYR 102 Cb 0.18 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.34 -4.59 -3.10 -0.72 4.76 -0.83 -4.91 118.16 109.11 2ju5 n LYS 103 Ca 0.13 0.55 -0.40 0.00 -2.87 0.00 0.00 58.31 55.73 2ju5 n LYS 103 Cb 0.29 -5.09 -0.06 0.00 -1.84 0.00 0.00 35.03 28.34 2ju5 n LYS 103 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ju5 s VAL 104 N -3.65 5.02 -0.02 -0.18 1.01 0.32 -4.91 120.40 118.00 2ju5 s VAL 104 Ca 0.17 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 2ju5 s VAL 104 Cb -0.09 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2ju5 s VAL 104 CO 0.84 0.13 -0.07 0.35 0.00 0.00 0.00 175.10 176.34 2ju5 n THR 105 N 4.56 0.71 -3.96 3.92 -2.24 -1.26 -4.76 114.28 111.25 2ju5 n THR 105 Ca -0.01 0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 2ju5 n THR 105 Cb 0.50 -1.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 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 -4.73 2.14 0.14 3.38 0.00 -1.26 -5.12 107.32 101.86 2ju5 s GLY 106 Ca -0.07 -0.89 0.09 0.00 0.00 0.00 0.00 44.72 43.85 2ju5 s GLY 106 CO 0.10 -0.87 -0.21 -0.11 0.00 0.00 0.00 173.10 172.01 2ju5 s PHE 107 N -1.47 1.90 0.29 1.90 -0.12 -1.26 -4.03 117.98 115.19 2ju5 s PHE 107 Ca 0.33 -0.43 -0.25 0.00 -0.05 0.00 0.00 56.93 56.53 2ju5 s PHE 107 Cb -0.13 -1.00 -0.09 0.00 -0.63 0.00 0.00 43.02 41.17 2ju5 s PHE 107 CO 0.26 0.29 0.90 -1.25 -0.05 0.00 0.00 175.22 175.38 2ju5 s PRO 108 N -2.32 4.56 -0.06 1.99 0.04 -1.26 -4.76 135.00 133.19 2ju5 s PRO 108 Ca 0.12 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.43 2ju5 s PRO 108 Cb -0.08 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.60 2ju5 s PRO 108 CO 0.06 0.33 -0.05 -2.00 0.04 0.00 0.00 177.00 175.38 2ju5 s GLU 109 N -1.92 0.94 -0.19 4.56 2.56 -1.11 -3.82 118.70 119.71 2ju5 s GLU 109 Ca 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 54.97 55.32 2ju5 s GLU 109 Cb -0.19 -0.97 0.00 0.00 2.00 0.00 0.00 34.13 34.97 2ju5 s GLU 109 CO 0.24 -0.12 -0.13 -1.17 -0.56 0.00 0.00 175.26 173.53 2ju5 s LEU 110 N 1.11 2.52 -0.11 2.70 0.20 0.15 -2.15 118.68 123.10 2ju5 s LEU 110 Ca -0.08 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.25 2ju5 s LEU 110 Cb -0.14 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 2ju5 s LEU 110 CO -0.01 0.01 -0.16 0.68 -0.29 0.00 0.00 176.35 176.58 2ju5 s VAL 111 N 1.25 2.79 -0.23 1.68 -7.23 -1.18 -0.59 120.40 116.90 2ju5 s VAL 111 Ca 0.03 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.34 2ju5 s VAL 111 Cb -0.14 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2ju5 s VAL 111 CO -0.06 0.54 0.14 -0.36 -0.31 0.00 0.00 175.10 175.05 2ju5 s PHE 112 N 0.25 3.33 0.12 2.82 0.08 0.86 -2.35 117.98 123.09 2ju5 s PHE 112 Ca -0.11 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2ju5 s PHE 112 Cb -0.16 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2ju5 s PHE 112 CO 0.06 0.12 -0.11 0.96 -0.10 0.00 0.00 175.22 176.15 2ju5 s ILE 113 N 0.84 1.10 0.59 0.64 -4.36 -0.55 -0.41 121.20 119.04 2ju5 s ILE 113 Ca 0.07 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.60 2ju5 s ILE 113 Cb -0.13 -1.61 0.12 0.00 1.25 0.00 0.00 42.46 42.09 2ju5 s ILE 113 CO 0.02 -0.63 0.80 -0.90 0.24 0.00 0.00 174.94 174.48 2ju5 n ASP 114 N 0.20 0.95 0.04 4.36 5.75 -0.31 0.03 116.55 127.57 2ju5 n ASP 114 Ca -0.13 -1.83 0.08 0.00 -0.01 0.00 0.00 54.79 52.90 2ju5 n ASP 114 Cb 0.59 -0.53 0.36 0.00 -1.03 0.00 0.00 41.12 40.50 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ju5 n ALA 115 N -3.00 1.65 1.08 2.12 0.00 -1.26 -1.48 120.51 119.61 2ju5 n ALA 115 Ca -0.13 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2ju5 n ALA 115 Cb 0.46 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.72 1.57 -0.66 0.00 2.13 -1.26 -4.82 120.64 115.88 2ju5 n GLU 116 Ca 0.03 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.62 2ju5 n GLU 116 Cb 0.18 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.42 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 1.37 0.63 3.75 8.31 0.00 -0.55 -5.04 105.19 113.66 2ju5 n GLY 117 Ca 0.12 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2ju5 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ju5 s LYS 118 N -0.80 4.57 -0.12 1.61 1.02 -1.26 -4.75 119.74 120.01 2ju5 s LYS 118 Ca 0.00 1.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.89 2ju5 s LYS 118 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2ju5 s LYS 118 CO 0.00 0.32 1.06 -1.14 -0.92 0.00 0.00 175.35 174.67 2ju5 s GLN 119 N -0.25 4.38 -0.16 1.68 0.74 -1.26 -1.17 119.66 123.61 2ju5 s GLN 119 Ca 0.40 1.45 0.15 0.00 0.05 0.00 0.00 55.36 57.41 2ju5 s GLN 119 Cb -0.22 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.08 2ju5 s GLN 119 CO 0.26 -0.41 0.21 1.28 -0.55 0.00 0.00 175.29 176.08 2ju5 n LEU 120 N 5.33 0.42 -3.61 3.68 4.32 0.45 -4.98 117.00 122.61 2ju5 n LEU 120 Ca 0.10 0.10 -0.00 0.00 -0.02 0.00 0.00 56.01 56.19 2ju5 n LEU 120 Cb 0.48 0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 42.58 2ju5 n LEU 120 CO 0.53 0.50 1.07 0.00 -1.22 0.00 0.00 177.39 178.27 2ju5 s ALA 121 N -2.52 -2.21 -0.09 -1.18 0.00 -1.22 -4.62 121.76 109.92 2ju5 s ALA 121 Ca -0.10 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 2ju5 s ALA 121 Cb 0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2ju5 s ALA 121 CO 0.82 -0.89 0.32 -0.98 0.00 0.00 0.00 175.76 175.02 2ju5 s ARG 122 N -2.36 0.46 0.08 0.00 1.70 -1.26 -0.10 118.95 117.47 2ju5 s ARG 122 Ca 0.13 0.25 -0.08 0.00 -0.47 0.00 0.00 55.73 55.56 2ju5 s ARG 122 Cb 0.03 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2ju5 s ARG 122 CO -0.04 -0.09 0.17 -1.64 -1.08 0.00 0.00 175.30 172.62 2ju5 s MET 123 N -0.28 0.80 0.00 3.89 -1.94 0.24 -5.00 119.30 117.00 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 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.13 2ju5 s MET 123 CO 0.02 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 2ju5 n GLY 124 N 0.06 5.13 3.72 -0.03 0.00 -1.26 0.33 105.19 113.14 2ju5 n GLY 124 Ca -0.16 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 2.85 3.63 -0.14 1.61 5.36 -1.25 -4.89 117.98 125.15 2ju5 s PHE 125 Ca 0.00 1.62 -0.04 0.00 -0.96 0.00 0.00 56.93 57.55 2ju5 s PHE 125 Cb 0.00 -3.19 0.07 0.00 -0.34 0.00 0.00 43.02 39.56 2ju5 s PHE 125 CO 0.00 -0.31 0.21 -2.00 -1.46 0.00 0.00 175.22 171.67 2ju5 s GLU 126 N 0.71 0.13 0.80 10.12 2.56 -1.26 -5.11 118.70 126.65 2ju5 s GLU 126 Ca 0.52 0.47 -0.14 0.00 0.00 0.00 0.00 54.97 55.82 2ju5 s GLU 126 Cb -0.24 -0.58 0.03 0.00 2.00 0.00 0.00 34.13 35.34 2ju5 s GLU 126 CO 0.29 -0.44 0.82 -2.30 -0.56 0.00 0.00 175.26 173.07 2ju5 n PRO 127 N 5.33 0.15 0.00 4.30 -0.02 -1.26 -4.27 135.00 139.23 2ju5 n PRO 127 Ca -0.05 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2ju5 n PRO 127 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.12 1.41 0.00 -1.23 0.00 -1.26 -4.97 105.19 100.26 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 -0.05 0.24 -0.02 0.00 -1.26 -4.30 105.19 99.79 2ju5 n GLY 129 Ca 0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 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 0.98 -0.02 0.00 -1.88 -2.28 103.07 100.70 2ju5 h GLY 130 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.89 2ju5 h GLY 130 CO 0.00 0.42 0.19 0.00 0.00 0.00 0.00 176.54 177.15 2ju5 h ALA 131 N 1.06 0.37 -0.62 3.60 0.00 -1.92 -2.33 119.26 119.43 2ju5 h ALA 131 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2ju5 h ALA 131 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ju5 h ALA 131 CO -0.02 -0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.20 2ju5 h ALA 132 N 1.12 1.07 -0.65 0.00 0.00 -1.73 -3.00 119.26 116.07 2ju5 h ALA 132 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2ju5 h ALA 132 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2ju5 h ALA 132 CO -0.04 0.61 0.21 -0.92 0.00 0.00 0.00 179.25 179.12 2ju5 h TYR 133 N 0.94 1.03 -0.37 0.00 5.03 -1.08 -2.85 116.97 119.66 2ju5 h TYR 133 Ca 0.20 -0.10 -0.08 0.00 2.58 0.00 0.00 58.73 61.33 2ju5 h TYR 133 Cb 0.35 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 2ju5 h TYR 133 CO 0.02 0.83 -0.09 -0.39 -1.32 0.00 0.00 178.16 177.22 2ju5 h VAL 134 N 0.93 1.24 -0.80 1.81 -1.51 -1.34 -2.28 116.25 114.30 2ju5 h VAL 134 Ca 0.21 -1.05 0.03 0.00 -1.23 0.00 0.00 66.70 64.65 2ju5 h VAL 134 Cb 0.28 1.05 -0.05 0.00 -2.13 0.00 0.00 31.29 30.44 2ju5 h VAL 134 CO -0.01 0.35 0.52 -1.28 -1.23 0.00 0.00 177.57 175.92 2ju5 h SER 135 N 0.59 0.87 -0.52 4.19 0.87 -1.37 -1.82 113.55 116.36 2ju5 h SER 135 Ca 0.11 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2ju5 h SER 135 Cb 0.51 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2ju5 h SER 135 CO 0.03 0.61 0.14 0.11 -0.53 0.00 0.00 176.83 177.18 2ju5 h LYS 136 N 1.02 0.83 -0.55 2.24 1.57 -1.31 -2.78 116.57 117.60 2ju5 h LYS 136 Ca 0.31 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2ju5 h LYS 136 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2ju5 h LYS 136 CO -0.10 0.78 -0.02 -0.24 -0.57 0.00 0.00 179.45 179.30 2ju5 h VAL 137 N 0.73 1.26 -0.61 0.50 3.04 -1.11 -2.11 116.25 117.95 2ju5 h VAL 137 Ca 0.17 -1.13 0.02 0.00 -1.01 0.00 0.00 66.70 64.75 2ju5 h VAL 137 Cb 0.32 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 2ju5 h VAL 137 CO -0.00 0.40 0.39 0.11 -1.01 0.00 0.00 177.57 177.46 2ju5 h LYS 138 N 0.87 0.75 -0.29 4.17 1.57 -1.20 0.17 116.57 122.62 2ju5 h LYS 138 Ca 0.16 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2ju5 h LYS 138 CO 0.03 0.50 -0.26 0.66 -0.57 0.00 0.00 179.45 179.81 2ju5 h SER 139 N 0.77 0.58 -0.48 0.86 4.64 -1.31 -1.68 113.55 116.93 2ju5 h SER 139 Ca 0.24 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2ju5 h SER 139 Cb -0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2ju5 h SER 139 CO -0.08 0.82 -0.21 0.00 -0.87 0.00 0.00 176.83 176.49 2ju5 h ALA 140 N 1.22 0.70 -0.01 5.18 0.00 -0.68 -3.05 119.26 122.62 2ju5 h ALA 140 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ju5 h ALA 140 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ju5 h ALA 140 CO 0.05 0.68 -0.11 1.28 0.00 0.00 0.00 179.25 181.15 2ju5 n LEU 141 N -4.11 1.15 -3.04 0.00 4.32 -0.02 -4.66 117.00 110.64 2ju5 n LEU 141 Ca 0.00 -0.33 -0.16 0.00 -0.02 0.00 0.00 56.01 55.49 2ju5 n LEU 141 Cb 0.46 -0.07 0.07 0.00 -1.62 0.00 0.00 43.42 42.26 2ju5 n LEU 141 CO 0.47 0.20 0.14 0.29 -1.22 0.00 0.00 177.39 177.26 2ju5 n LYS 142 N -0.31 -5.96 -3.38 3.23 4.01 -0.71 -4.99 118.16 110.05 2ju5 n LYS 142 Ca 0.16 0.70 -0.38 0.00 -0.51 0.00 0.00 58.31 58.28 2ju5 n LYS 142 Cb 0.33 -5.30 -0.08 0.00 -0.51 0.00 0.00 35.03 29.47 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 -5.87 4.12 0.00 -0.35 1.02 -0.75 -5.06 118.68 111.79 2ju5 s LEU 143 Ca 0.19 0.46 0.09 0.00 0.02 0.00 0.00 54.13 54.90 2ju5 s LEU 143 Cb -0.08 -2.50 0.54 0.00 0.02 0.00 0.00 46.19 44.17 2ju5 s LEU 143 CO 0.61 -0.11 0.99 0.54 0.02 0.00 0.00 176.35 178.40