#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju5 h ARG 2 N 0.00 0.97 -7.13 0.00 3.08 -2.09 -3.43 114.38 105.77 2ju5 h ARG 2 Ca 0.00 -0.29 -0.49 0.00 0.07 0.00 0.00 59.98 59.28 2ju5 h ARG 2 Cb 0.00 -0.10 0.05 0.00 0.08 0.00 0.00 29.97 30.00 2ju5 h ARG 2 CO 0.00 0.95 0.21 1.03 -1.07 0.00 0.00 179.97 181.10 2ju5 s ARG 3 N -5.02 3.16 0.33 0.04 0.52 -1.26 -5.03 118.95 111.69 2ju5 s ARG 3 Ca -0.11 0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2ju5 s ARG 3 Cb 0.14 -2.25 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 2ju5 s ARG 3 CO 0.84 -0.59 1.32 0.50 0.02 0.00 0.00 175.30 177.40 2ju5 s ARG 4 N -4.99 4.34 0.46 3.54 3.52 -1.26 -4.95 118.95 119.61 2ju5 s ARG 4 Ca 0.53 2.23 -0.25 0.00 -0.13 0.00 0.00 55.73 58.12 2ju5 s ARG 4 Cb -0.11 -3.07 -0.08 0.00 -1.56 0.00 0.00 34.95 30.14 2ju5 s ARG 4 CO 0.47 -0.22 1.38 0.00 -0.81 0.00 0.00 175.30 176.12 2ju5 s ALA 5 N -1.04 3.14 0.17 6.12 0.00 -1.26 -5.01 121.76 123.87 2ju5 s ALA 5 Ca 0.50 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 2ju5 s ALA 5 Cb -0.40 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.22 2ju5 s ALA 5 CO 0.53 -1.13 0.57 -1.54 0.00 0.00 0.00 175.76 174.18 2ju5 s SER 6 N -0.69 -0.47 0.91 0.00 1.04 -1.26 -5.16 113.70 108.07 2ju5 s SER 6 Ca 0.63 -0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 2ju5 s SER 6 Cb -0.41 0.59 0.14 0.00 0.10 0.00 0.00 66.02 66.44 2ju5 s SER 6 CO 0.52 -0.98 1.11 -0.83 0.98 0.00 0.00 173.24 174.04 2ju5 s GLY 7 N -2.78 1.66 0.18 7.32 0.00 -1.26 -4.94 107.32 107.50 2ju5 s GLY 7 Ca 0.03 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.04 2ju5 s GLY 7 CO -0.11 0.78 1.47 0.83 0.00 0.00 0.00 173.10 176.08 2ju5 h GLU 8 N -1.76 0.57 -5.92 2.90 4.39 -2.05 -3.47 114.58 109.24 2ju5 h GLU 8 Ca -0.46 -0.38 -0.39 0.00 0.34 0.00 0.00 59.36 58.46 2ju5 h GLU 8 Cb 1.27 0.05 0.10 0.00 -0.10 0.00 0.00 28.75 30.07 2ju5 h GLU 8 CO 0.47 1.00 -0.77 -1.71 -1.16 0.00 0.00 179.01 176.83 2ju5 n ASN 9 N -3.94 -2.83 -0.30 1.42 2.85 -1.26 -4.89 115.26 106.32 2ju5 n ASN 9 Ca -0.04 -0.70 -0.05 0.00 -0.11 0.00 0.00 54.58 53.68 2ju5 n ASN 9 Cb 0.64 -4.58 0.07 0.00 1.24 0.00 0.00 39.78 37.15 2ju5 n ASN 9 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2ju5 h LEU 10 N -2.05 1.09 -0.91 1.20 3.38 -2.03 -2.83 115.31 113.15 2ju5 h LEU 10 Ca -0.59 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.25 2ju5 h LEU 10 Cb 1.36 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 2ju5 h LEU 10 CO 0.56 0.93 0.60 1.56 0.09 0.00 0.00 178.44 182.18 2ju5 h GLN 11 N 1.17 1.15 0.00 1.13 4.20 -2.03 -3.44 115.11 117.28 2ju5 h GLN 11 Ca 0.28 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2ju5 h GLN 11 Cb 0.15 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2ju5 h GLN 11 CO -0.03 0.76 0.00 1.04 -0.67 0.00 0.00 178.83 179.93 2ju5 n GLN 12 N -4.48 0.00 -4.20 1.46 6.02 -1.07 -4.48 117.38 110.63 2ju5 n GLN 12 Ca 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 2ju5 n GLN 12 Cb 0.06 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.22 2ju5 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ju5 s THR 13 N 0.00 0.91 -0.71 5.09 -4.23 -1.26 -5.05 115.64 110.40 2ju5 s THR 13 Ca 0.00 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 2ju5 s THR 13 Cb 0.00 -1.67 -0.17 0.00 1.34 0.00 0.00 72.50 72.01 2ju5 s THR 13 CO 0.00 -0.76 1.85 0.54 -0.54 0.00 0.00 174.62 175.71 2ju5 n ARG 14 N 0.03 0.00 -2.66 3.99 1.74 -1.26 -4.84 116.66 113.67 2ju5 n ARG 14 Ca -0.12 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.62 2ju5 n ARG 14 Cb 0.60 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.98 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 6.15 4.02 0.23 5.56 0.04 -1.26 -4.96 135.00 144.78 2ju5 s PRO 15 Ca 0.96 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 2ju5 s PRO 15 Cb -0.85 -2.14 0.24 0.00 0.04 0.00 0.00 34.50 31.79 2ju5 s PRO 15 CO 0.35 -0.22 1.72 0.97 0.04 0.00 0.00 177.00 179.86 2ju5 h ILE 16 N 1.65 1.25 -2.55 0.56 2.10 -1.99 -3.44 117.51 115.10 2ju5 h ILE 16 Ca -0.49 -1.07 -0.10 0.00 1.08 0.00 0.00 64.86 64.29 2ju5 h ILE 16 Cb 1.20 0.85 -0.24 0.00 -1.09 0.00 0.00 36.82 37.53 2ju5 h ILE 16 CO 0.60 0.38 -0.19 0.00 -1.08 0.00 0.00 178.15 177.86 2ju5 s ALA 17 N -5.00 -1.20 0.20 0.18 0.00 -1.26 -5.05 121.76 109.64 2ju5 s ALA 17 Ca -0.10 1.52 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 2ju5 s ALA 17 Cb 0.14 -0.90 0.13 0.00 0.00 0.00 0.00 23.12 22.49 2ju5 s ALA 17 CO 0.83 -0.25 1.73 0.00 0.00 0.00 0.00 175.76 178.06 2ju5 h ALA 18 N 6.15 0.97 -2.56 0.00 0.00 -2.00 -3.45 119.26 118.37 2ju5 h ALA 18 Ca -0.31 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 2ju5 h ALA 18 Cb 1.18 -0.28 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 2ju5 h ALA 18 CO 0.23 0.67 -0.70 0.00 0.00 0.00 0.00 179.25 179.45 2ju5 s ALA 19 N -5.35 0.70 -2.07 0.00 0.00 -1.26 -5.02 121.76 108.75 2ju5 s ALA 19 Ca -0.12 -1.09 0.14 0.00 0.00 0.00 0.00 51.96 50.89 2ju5 s ALA 19 Cb 0.15 0.15 0.44 0.00 0.00 0.00 0.00 23.12 23.85 2ju5 s ALA 19 CO 0.85 -0.19 1.35 0.09 0.00 0.00 0.00 175.76 177.85 2ju5 n ASN 20 N 0.56 1.99 -4.76 0.00 5.03 -1.26 -4.88 115.26 111.93 2ju5 n ASN 20 Ca -0.17 -1.93 -0.40 0.00 0.87 0.00 0.00 54.58 52.95 2ju5 n ASN 20 Cb 0.59 -0.22 -0.04 0.00 -1.02 0.00 0.00 39.78 39.08 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 -1.14 4.54 -0.46 3.41 2.96 -1.26 -5.00 118.68 121.73 2ju5 s LEU 21 Ca 0.27 2.27 -0.14 0.00 -0.22 0.00 0.00 54.13 56.31 2ju5 s LEU 21 Cb 0.14 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.28 2ju5 s LEU 21 CO 0.20 -0.17 0.36 -1.10 -1.32 0.00 0.00 176.35 174.31 2ju5 s GLN 22 N -1.30 2.90 0.22 1.98 -0.21 -1.26 -5.06 119.66 116.92 2ju5 s GLN 22 Ca 0.45 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 2ju5 s GLN 22 Cb -0.32 -4.04 -0.08 0.00 1.00 0.00 0.00 33.01 29.56 2ju5 s GLN 22 CO 0.41 -0.99 1.06 -1.58 -2.12 0.00 0.00 175.29 172.07 2ju5 s TRP 23 N 1.60 3.67 0.28 0.91 0.51 -1.26 -4.53 118.94 120.12 2ju5 s TRP 23 Ca 0.04 1.70 0.09 0.00 -2.12 0.00 0.00 56.10 55.81 2ju5 s TRP 23 Cb -0.24 -3.21 -0.05 0.00 -0.81 0.00 0.00 33.47 29.15 2ju5 s TRP 23 CO 0.06 -0.36 -0.13 -1.21 -0.51 0.00 0.00 176.95 174.81 2ju5 s GLU 24 N -0.87 1.59 0.64 4.98 2.02 -0.70 -5.04 118.70 121.33 2ju5 s GLU 24 Ca 0.46 -1.77 -0.11 0.00 0.02 0.00 0.00 54.97 53.57 2ju5 s GLU 24 Cb -0.29 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 2ju5 s GLU 24 CO 0.36 0.18 1.04 -1.54 0.02 0.00 0.00 175.26 175.32 2ju5 s SER 25 N -3.47 5.96 0.20 -0.19 1.04 -1.26 -4.40 113.70 111.57 2ju5 s SER 25 Ca 0.29 1.49 -0.12 0.00 0.48 0.00 0.00 55.95 58.09 2ju5 s SER 25 Cb -0.00 -2.48 0.12 0.00 0.10 0.00 0.00 66.02 63.76 2ju5 s SER 25 CO 0.13 -1.05 1.86 0.22 0.98 0.00 0.00 173.24 175.38 2ju5 h TYR 26 N -0.41 0.83 -0.36 5.02 3.20 -1.95 0.57 116.97 123.87 2ju5 h TYR 26 Ca -0.44 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.32 2ju5 h TYR 26 Cb 1.20 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 2ju5 h TYR 26 CO 0.65 0.52 -0.28 0.00 -1.64 0.00 0.00 178.16 177.41 2ju5 h ALA 27 N 1.25 0.83 -0.32 1.82 0.00 -2.00 -2.75 119.26 118.07 2ju5 h ALA 27 Ca 0.25 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2ju5 h ALA 27 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2ju5 h ALA 27 CO -0.06 0.64 -0.41 0.93 0.00 0.00 0.00 179.25 180.36 2ju5 h GLU 28 N 0.65 0.80 -0.38 0.00 5.08 -1.71 -2.76 114.58 116.26 2ju5 h GLU 28 Ca 0.08 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2ju5 h GLU 28 Cb 0.80 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2ju5 h GLU 28 CO 0.07 1.05 0.23 0.00 -1.00 0.00 0.00 179.01 179.37 2ju5 h ALA 29 N 0.89 0.48 -0.64 3.43 0.00 0.28 -1.32 119.26 122.37 2ju5 h ALA 29 Ca 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2ju5 h ALA 29 Cb 0.97 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2ju5 h ALA 29 CO 0.09 -0.09 0.13 -0.07 0.00 0.00 0.00 179.25 179.30 2ju5 h LEU 30 N 0.48 1.00 -0.79 0.00 3.38 -1.48 0.90 115.31 118.79 2ju5 h LEU 30 Ca 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2ju5 h LEU 30 Cb -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2ju5 h LEU 30 CO -0.05 0.99 0.36 1.05 0.09 0.00 0.00 178.44 180.88 2ju5 h GLU 31 N 0.96 1.16 -0.29 1.13 4.11 -1.20 0.22 114.58 120.68 2ju5 h GLU 31 Ca 0.20 -0.19 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 2ju5 h GLU 31 Cb 0.40 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2ju5 h GLU 31 CO 0.01 0.92 -0.09 0.45 0.07 0.00 0.00 179.01 180.37 2ju5 h HIS 32 N 1.13 0.65 -0.43 2.06 3.86 -0.90 -3.11 115.15 118.42 2ju5 h HIS 32 Ca 0.27 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2ju5 h HIS 32 Cb 0.16 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2ju5 h HIS 32 CO 0.02 0.78 0.05 0.77 0.86 0.00 0.00 177.93 180.41 2ju5 h SER 33 N 0.34 0.62 -0.12 2.45 0.02 -0.33 1.27 113.55 117.80 2ju5 h SER 33 Ca 0.07 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2ju5 h SER 33 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2ju5 h SER 33 CO 0.03 0.65 0.08 0.11 -1.14 0.00 0.00 176.83 176.57 2ju5 h LYS 34 N 0.64 0.04 0.01 3.45 1.57 -0.50 1.37 116.57 123.14 2ju5 h LYS 34 Ca 0.14 -0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.52 2ju5 h LYS 34 Cb 0.32 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2ju5 h LYS 34 CO 0.01 0.03 -2.42 1.04 -0.57 0.00 0.00 179.45 177.53 2ju5 n GLN 35 N -4.51 0.66 0.02 3.15 6.02 -0.52 -4.61 117.38 117.59 2ju5 n GLN 35 Ca -0.00 0.18 0.11 0.00 -0.01 0.00 0.00 57.00 57.27 2ju5 n GLN 35 Cb 0.17 -1.54 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 2ju5 n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ju5 n ASP 36 N -3.39 0.33 -0.32 1.08 8.00 0.42 -4.98 116.55 117.70 2ju5 n ASP 36 Ca -0.45 -0.06 -0.04 0.00 0.71 0.00 0.00 54.79 54.94 2ju5 n ASP 36 Cb 0.98 1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 43.52 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 -2.22 0.00 -2.47 1.24 8.25 0.47 -4.97 115.22 115.52 2ju5 n HIS 37 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2ju5 n HIS 37 Cb 0.52 -1.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.33 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 -1.73 4.40 0.70 -0.41 1.02 -1.26 -4.87 119.74 117.58 2ju5 s LYS 38 Ca 0.00 1.68 -0.16 0.00 0.02 0.00 0.00 55.97 57.51 2ju5 s LYS 38 Cb 0.00 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2ju5 s LYS 38 CO 0.00 -0.35 1.00 -2.30 -0.92 0.00 0.00 175.35 172.78 2ju5 n PRO 39 N 4.67 0.61 -4.52 -1.68 -0.02 -1.26 -4.58 135.00 128.22 2ju5 n PRO 39 Ca 0.10 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 2ju5 n PRO 39 Cb 0.47 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.74 3.68 -0.30 4.25 1.01 0.20 -1.90 121.20 126.40 2ju5 s ILE 40 Ca 0.75 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.87 2ju5 s ILE 40 Cb -0.36 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2ju5 s ILE 40 CO 0.49 0.52 0.12 -0.83 0.00 0.00 0.00 174.94 175.23 2ju5 s GLY 41 N 0.16 1.83 -0.27 6.18 0.00 -0.23 -1.36 107.32 113.62 2ju5 s GLY 41 Ca -0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 2ju5 s GLY 41 CO 0.03 0.67 0.38 1.08 0.00 0.00 0.00 173.10 175.26 2ju5 s LEU 42 N 1.56 4.06 -0.49 0.66 1.02 -0.99 -1.30 118.68 123.19 2ju5 s LEU 42 Ca 0.04 0.27 -0.19 0.00 0.02 0.00 0.00 54.13 54.27 2ju5 s LEU 42 Cb -0.17 -2.43 0.05 0.00 0.02 0.00 0.00 46.19 43.66 2ju5 s LEU 42 CO 0.04 -0.20 0.59 0.12 0.02 0.00 0.00 176.35 176.93 2ju5 s PHE 43 N 2.08 3.08 -0.25 0.29 5.36 -0.13 -3.15 117.98 125.26 2ju5 s PHE 43 Ca 0.15 -0.50 -0.14 0.00 -0.96 0.00 0.00 56.93 55.48 2ju5 s PHE 43 Cb -0.16 -3.43 -0.04 0.00 -0.34 0.00 0.00 43.02 39.05 2ju5 s PHE 43 CO 0.10 -0.97 0.34 -0.06 -1.46 0.00 0.00 175.22 173.17 2ju5 s PHE 44 N 2.53 3.29 0.23 10.12 0.40 -1.01 -0.56 117.98 132.99 2ju5 s PHE 44 Ca 0.15 0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2ju5 s PHE 44 Cb -0.19 -2.51 0.02 0.00 0.51 0.00 0.00 43.02 40.86 2ju5 s PHE 44 CO 0.12 -0.12 0.41 0.25 0.70 0.00 0.00 175.22 176.58 2ju5 n THR 45 N 4.78 0.00 -3.66 0.64 -2.24 -0.89 -2.77 114.28 110.15 2ju5 n THR 45 Ca -0.10 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 2ju5 n THR 45 Cb 0.51 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.30 1.61 0.41 3.38 0.00 -1.26 -0.02 107.32 109.14 2ju5 s GLY 46 Ca 0.13 -2.57 0.14 0.00 0.00 0.00 0.00 44.72 42.43 2ju5 s GLY 46 CO 0.10 1.64 1.91 0.23 0.00 0.00 0.00 173.10 176.97 2ju5 h SER 47 N 6.58 0.45 -0.01 1.64 0.87 -1.87 -1.63 113.55 119.58 2ju5 h SER 47 Ca 0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2ju5 h SER 47 Cb 0.92 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2ju5 h SER 47 CO 0.46 0.23 -0.40 0.47 -0.53 0.00 0.00 176.83 177.06 2ju5 n ASP 48 N -4.50 1.66 0.00 6.23 8.00 -1.26 -4.75 116.55 121.94 2ju5 n ASP 48 Ca 0.15 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2ju5 n ASP 48 Cb 0.52 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 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 -0.19 0.00 -3.82 1.24 4.27 -1.11 -4.88 117.44 112.96 2ju5 n TRP 49 Ca 0.07 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.35 2ju5 n TRP 49 Cb 0.36 0.00 -0.05 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 0.83 1.28 0.26 0.00 1.56 -1.26 -4.22 117.12 115.56 2ju5 n MET 51 Ca -0.09 0.03 0.12 0.00 -0.27 0.00 0.00 57.70 57.48 2ju5 n MET 51 Cb 0.52 -1.36 0.75 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 -0.19 1.12 4.06 -1.95 -0.18 115.95 118.81 2ju5 h TRP 52 Ca -0.39 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.44 2ju5 h TRP 52 Cb 1.78 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.94 2ju5 h TRP 52 CO 0.01 0.00 -0.36 0.00 -3.56 0.00 0.00 178.44 174.52 2ju5 h ILE 54 N 0.25 1.12 -0.57 0.00 2.04 -1.27 0.13 117.51 119.21 2ju5 h ILE 54 Ca 0.01 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2ju5 h ILE 54 Cb 0.96 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2ju5 h ILE 54 CO 0.08 0.14 0.33 0.11 0.00 0.00 0.00 178.15 178.81 2ju5 h LYS 55 N 0.76 0.78 -0.54 2.37 1.79 -1.02 0.39 116.57 121.08 2ju5 h LYS 55 Ca 0.22 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2ju5 h LYS 55 Cb -0.05 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2ju5 h LYS 55 CO -0.07 0.57 0.29 1.98 -1.08 0.00 0.00 179.45 181.15 2ju5 h MET 56 N 0.76 0.75 0.03 3.15 4.05 -0.41 0.43 114.93 123.70 2ju5 h MET 56 Ca 0.20 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2ju5 h MET 56 Cb 0.00 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2ju5 h MET 56 CO -0.04 0.59 -0.02 1.96 0.23 0.00 0.00 176.91 179.63 2ju5 h GLN 57 N 0.72 -0.04 -0.53 0.39 4.20 -0.31 0.15 115.11 119.69 2ju5 h GLN 57 Ca 0.19 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 2ju5 h GLN 57 Cb 0.05 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2ju5 h GLN 57 CO -0.03 0.21 -0.14 0.22 -0.67 0.00 0.00 178.83 178.42 2ju5 h ASP 58 N -0.29 1.04 0.57 1.46 1.82 -0.10 0.21 116.42 121.13 2ju5 h ASP 58 Ca -0.00 -0.36 -0.24 0.00 -0.39 0.00 0.00 57.03 56.03 2ju5 h ASP 58 Cb 0.27 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 2ju5 h ASP 58 CO 0.01 1.16 -1.59 0.00 -1.61 0.00 0.00 179.24 177.20 2ju5 n GLN 59 N -4.13 0.63 0.01 0.28 1.13 0.15 -4.37 117.38 111.07 2ju5 n GLN 59 Ca 0.01 0.27 -0.03 0.00 -1.94 0.00 0.00 57.00 55.32 2ju5 n GLN 59 Cb 0.42 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.99 1.12 -0.30 5.09 5.41 0.45 -3.59 119.36 124.56 2ju5 n ILE 60 Ca -0.14 0.28 -0.02 0.00 1.00 0.00 0.00 62.75 63.87 2ju5 n ILE 60 Cb 0.97 -1.71 0.14 0.00 -0.71 0.00 0.00 39.64 38.32 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 1.05 -0.80 1.39 -0.00 -1.29 -1.82 115.31 113.63 2ju5 h LEU 61 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2ju5 h LEU 61 Cb 0.36 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2ju5 h LEU 61 CO -0.02 0.82 0.00 0.00 -0.00 0.00 0.00 178.44 179.24 2ju5 n GLN 62 N -4.35 1.54 -2.67 1.13 6.02 0.74 -4.38 117.38 115.42 2ju5 n GLN 62 Ca 0.09 -0.80 -0.33 0.00 -0.01 0.00 0.00 57.00 55.96 2ju5 n GLN 62 Cb 0.08 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 2ju5 n GLN 62 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ju5 s SER 63 N -1.79 6.81 0.18 1.08 0.15 -0.68 -4.93 113.70 114.51 2ju5 s SER 63 Ca 0.36 1.66 -0.13 0.00 0.70 0.00 0.00 55.95 58.54 2ju5 s SER 63 Cb 0.19 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 62.06 2ju5 s SER 63 CO 0.30 -0.46 1.84 -1.28 1.20 0.00 0.00 173.24 174.84 2ju5 h SER 64 N 1.57 0.60 -0.50 5.45 0.87 -1.91 -1.15 113.55 118.47 2ju5 h SER 64 Ca -0.48 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2ju5 h SER 64 Cb 1.18 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2ju5 h SER 64 CO 0.61 0.43 0.27 -0.33 -0.53 0.00 0.00 176.83 177.28 2ju5 h GLU 65 N 0.72 0.70 -0.50 2.24 4.39 -1.91 -1.39 114.58 118.82 2ju5 h GLU 65 Ca 0.21 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2ju5 h GLU 65 Cb -0.05 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2ju5 h GLU 65 CO -0.06 0.55 0.18 0.35 -1.16 0.00 0.00 179.01 178.87 2ju5 h PHE 66 N 0.67 0.79 -0.50 4.33 3.04 -1.72 -1.27 116.94 122.28 2ju5 h PHE 66 Ca 0.18 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.07 2ju5 h PHE 66 Cb 0.06 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.31 2ju5 h PHE 66 CO -0.02 0.67 0.31 0.87 -2.02 0.00 0.00 178.31 178.13 2ju5 h LYS 67 N 0.68 0.61 -0.22 1.11 1.57 -0.93 0.26 116.57 119.65 2ju5 h LYS 67 Ca 0.17 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2ju5 h LYS 67 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2ju5 h LYS 67 CO -0.01 0.40 0.01 1.25 -0.57 0.00 0.00 179.45 180.53 2ju5 h HIS 68 N 0.63 0.42 0.11 -1.35 2.76 -1.10 0.22 115.15 116.83 2ju5 h HIS 68 Ca 0.19 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2ju5 h HIS 68 Cb -0.02 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2ju5 h HIS 68 CO -0.05 0.56 -0.05 0.35 -1.30 0.00 0.00 177.93 177.43 2ju5 h PHE 69 N 0.16 -0.14 -0.28 5.26 3.57 -0.97 -2.48 116.94 122.06 2ju5 h PHE 69 Ca 0.06 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 2ju5 h PHE 69 Cb 0.38 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2ju5 h PHE 69 CO 0.03 -0.01 -0.41 0.00 -2.23 0.00 0.00 178.31 175.69 2ju5 h ALA 70 N 0.65 0.76 -0.36 2.41 0.00 -0.48 0.38 119.26 122.62 2ju5 h ALA 70 Ca -0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2ju5 h ALA 70 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ju5 h ALA 70 CO 0.02 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 180.70 2ju5 h GLY 71 N 0.98 0.61 0.48 0.00 0.00 -0.55 0.97 103.07 105.56 2ju5 h GLY 71 Ca 0.04 -0.37 -0.28 0.00 0.00 0.00 0.00 47.33 46.72 2ju5 h GLY 71 CO 0.08 0.35 -1.47 -2.08 0.00 0.00 0.00 176.54 173.42 2ju5 h VAL 72 N 0.54 0.96 -0.01 4.60 2.07 -1.31 -3.42 116.25 119.68 2ju5 h VAL 72 Ca 0.11 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.27 2ju5 h VAL 72 Cb 0.36 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2ju5 h VAL 72 CO 0.01 0.68 -0.33 1.41 0.02 0.00 0.00 177.57 179.37 2ju5 n HIS 73 N -3.93 0.00 -4.18 1.57 -0.00 0.13 -5.07 115.22 103.74 2ju5 n HIS 73 Ca -0.27 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.34 2ju5 n HIS 73 Cb 0.89 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.78 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 -1.96 1.55 -0.18 2.41 1.02 0.33 -4.23 118.68 117.62 2ju5 s LEU 74 Ca 0.11 -1.28 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 2ju5 s LEU 74 Cb 0.11 0.29 -0.01 0.00 0.02 0.00 0.00 46.19 46.60 2ju5 s LEU 74 CO 0.37 -0.76 -0.11 -1.00 0.02 0.00 0.00 176.35 174.87 2ju5 s HIS 75 N -4.05 2.86 -0.12 0.29 3.76 -0.80 -4.55 115.29 112.68 2ju5 s HIS 75 Ca 0.30 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 54.20 2ju5 s HIS 75 Cb 0.07 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2ju5 s HIS 75 CO 0.06 -0.46 0.10 -1.64 -0.85 0.00 0.00 174.74 171.95 2ju5 s MET 76 N 0.99 3.40 -0.06 1.40 -1.94 -1.26 -1.07 119.30 120.76 2ju5 s MET 76 Ca -0.01 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 2ju5 s MET 76 Cb -0.15 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.60 2ju5 s MET 76 CO -0.01 0.71 -0.11 0.08 -0.01 0.00 0.00 175.02 175.67 2ju5 s VAL 77 N -0.85 1.06 -0.20 -6.03 1.01 -0.42 -1.72 120.40 113.25 2ju5 s VAL 77 Ca 0.14 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2ju5 s VAL 77 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2ju5 s VAL 77 CO 0.03 0.34 0.35 -0.70 0.00 0.00 0.00 175.10 175.12 2ju5 s GLU 78 N 0.64 4.17 -0.37 2.72 2.12 -1.26 -0.95 118.70 125.76 2ju5 s GLU 78 Ca -0.13 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.32 2ju5 s GLU 78 Cb -0.15 -3.53 0.12 0.00 0.26 0.00 0.00 34.13 30.83 2ju5 s GLU 78 CO 0.03 0.00 0.16 0.08 -0.54 0.00 0.00 175.26 175.00 2ju5 s VAL 79 N 1.19 1.16 0.05 3.70 1.01 0.27 -4.91 120.40 122.87 2ju5 s VAL 79 Ca 0.17 -1.98 0.03 0.00 0.00 0.00 0.00 61.98 60.19 2ju5 s VAL 79 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2ju5 s VAL 79 CO 0.07 -0.78 0.02 -1.81 0.00 0.00 0.00 175.10 172.60 2ju5 s ASP 80 N 0.99 5.23 -0.65 3.32 1.01 -1.26 -2.09 116.67 123.22 2ju5 s ASP 80 Ca 0.14 -0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.40 2ju5 s ASP 80 Cb -0.21 -1.35 0.21 0.00 1.01 0.00 0.00 42.92 42.58 2ju5 s ASP 80 CO -0.12 0.22 0.60 0.49 0.21 0.00 0.00 175.17 176.58 2ju5 n PHE 81 N 0.90 3.04 -1.74 4.23 3.72 0.98 -4.94 117.46 123.65 2ju5 n PHE 81 Ca -0.12 -4.16 -0.31 0.00 -0.05 0.00 0.00 57.45 52.81 2ju5 n PHE 81 Cb 0.52 -0.54 0.04 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.81 3.10 0.07 -1.08 0.04 -1.26 -4.42 135.00 129.63 2ju5 s PRO 82 Ca 0.32 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 2ju5 s PRO 82 Cb 0.06 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 2ju5 s PRO 82 CO -0.10 -0.97 1.26 1.96 0.04 0.00 0.00 177.00 179.19 2ju5 h GLN 83 N -0.34 0.64 -4.12 4.56 1.08 -1.96 -3.37 115.11 111.60 2ju5 h GLN 83 Ca -0.45 -0.52 -0.76 0.00 -1.45 0.00 0.00 58.65 55.47 2ju5 h GLN 83 Cb 1.21 0.11 -0.24 0.00 -0.05 0.00 0.00 27.48 28.51 2ju5 h GLN 83 CO 0.57 1.14 -0.19 0.21 -0.95 0.00 0.00 178.83 179.61 2ju5 s LYS 84 N -3.71 3.01 -0.16 1.46 2.20 -1.26 -5.03 119.74 116.25 2ju5 s LYS 84 Ca -0.12 -1.70 -0.20 0.00 -0.36 0.00 0.00 55.97 53.59 2ju5 s LYS 84 Cb 0.07 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2ju5 s LYS 84 CO 0.86 -1.34 0.56 1.21 -0.36 0.00 0.00 175.35 176.28 2ju5 s ASN 85 N 3.57 6.69 -0.04 1.43 3.84 -1.26 -4.92 114.94 124.26 2ju5 s ASN 85 Ca 0.04 0.83 0.05 0.00 0.21 0.00 0.00 52.86 53.99 2ju5 s ASN 85 Cb -0.29 -2.32 0.08 0.00 -0.55 0.00 0.00 41.25 38.17 2ju5 s ASN 85 CO 0.03 -0.14 0.94 1.41 -2.79 0.00 0.00 177.10 176.55 2ju5 n HIS 86 N 4.39 0.00 -3.10 0.43 8.25 -1.26 -5.07 115.22 118.85 2ju5 n HIS 86 Ca -0.04 -0.34 -0.32 0.00 -0.26 0.00 0.00 57.72 56.76 2ju5 n HIS 86 Cb 0.51 -0.07 -0.06 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 -0.91 3.98 0.70 -0.41 -1.52 -1.26 -5.05 119.66 115.18 2ju5 s GLN 87 Ca 0.09 0.65 -0.14 0.00 -1.95 0.00 0.00 55.36 54.01 2ju5 s GLN 87 Cb 0.08 -2.42 0.02 0.00 -0.22 0.00 0.00 33.01 30.46 2ju5 s GLN 87 CO 0.01 0.13 1.12 -1.25 -0.25 0.00 0.00 175.29 175.05 2ju5 s PRO 88 N -3.08 2.53 0.20 2.91 0.04 -1.26 -4.79 135.00 131.55 2ju5 s PRO 88 Ca 0.54 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2ju5 s PRO 88 Cb -0.10 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 32.77 2ju5 s PRO 88 CO 0.19 -1.47 1.71 1.49 0.04 0.00 0.00 177.00 178.96 2ju5 h GLU 89 N -0.28 0.25 -0.91 4.56 4.81 -1.99 -1.11 114.58 119.91 2ju5 h GLU 89 Ca -0.46 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 2ju5 h GLU 89 Cb 1.25 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 2ju5 h GLU 89 CO 0.52 0.16 0.59 0.93 -0.73 0.00 0.00 179.01 180.49 2ju5 h GLU 90 N 0.25 1.04 -0.31 1.92 5.08 -2.00 0.09 114.58 120.66 2ju5 h GLU 90 Ca 0.29 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 2ju5 h GLU 90 Cb 0.41 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ju5 h GLU 90 CO -0.37 0.69 -0.50 0.37 -1.00 0.00 0.00 179.01 178.20 2ju5 h GLN 91 N 1.07 0.87 -0.49 2.33 5.75 -1.71 -2.27 115.11 120.67 2ju5 h GLN 91 Ca 0.38 -0.52 -0.07 0.00 -0.15 0.00 0.00 58.65 58.29 2ju5 h GLN 91 Cb 0.13 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2ju5 h GLN 91 CO -0.13 1.16 0.03 0.00 -2.65 0.00 0.00 178.83 177.24 2ju5 h ARG 92 N 0.68 0.84 -0.35 1.69 3.08 -0.45 -1.19 114.38 118.68 2ju5 h ARG 92 Ca 0.03 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2ju5 h ARG 92 Cb 1.09 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 2ju5 h ARG 92 CO 0.11 0.86 0.14 1.96 -1.07 0.00 0.00 179.97 181.98 2ju5 h GLN 93 N 0.70 0.53 -0.25 0.04 4.20 -0.99 -2.12 115.11 117.23 2ju5 h GLN 93 Ca 0.14 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ju5 h GLN 93 Cb 0.46 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2ju5 h GLN 93 CO 0.02 0.52 0.14 -0.22 -0.67 0.00 0.00 178.83 178.62 2ju5 h LYS 94 N 0.42 0.35 -1.00 1.46 3.64 -1.32 -2.12 116.57 118.01 2ju5 h LYS 94 Ca 0.12 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2ju5 h LYS 94 Cb 0.19 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 2ju5 h LYS 94 CO -0.01 0.31 0.65 -0.97 -2.27 0.00 0.00 179.45 177.16 2ju5 h ASN 95 N 0.29 1.07 -0.52 4.20 -0.00 -1.12 -0.99 115.58 118.51 2ju5 h ASN 95 Ca 0.09 -0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.30 2ju5 h ASN 95 Cb 0.06 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.12 2ju5 h ASN 95 CO -0.01 0.71 -0.00 1.56 -0.00 0.00 0.00 177.43 179.69 2ju5 h GLN 96 N 1.23 0.96 -0.63 6.67 4.20 -1.08 -0.92 115.11 125.55 2ju5 h GLN 96 Ca 0.41 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2ju5 h GLN 96 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2ju5 h GLN 96 CO -0.14 0.95 0.17 0.93 -0.67 0.00 0.00 178.83 180.07 2ju5 h GLU 97 N 0.88 0.99 -0.57 1.46 4.39 -0.67 -2.50 114.58 118.56 2ju5 h GLU 97 Ca 0.16 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2ju5 h GLU 97 Cb 0.52 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2ju5 h GLU 97 CO 0.03 0.89 0.15 1.25 -1.16 0.00 0.00 179.01 180.17 2ju5 h LEU 98 N 0.91 0.85 -1.36 1.33 5.85 -0.93 0.18 115.31 122.14 2ju5 h LEU 98 Ca 0.20 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2ju5 h LEU 98 Cb 0.33 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2ju5 h LEU 98 CO -0.00 0.85 0.44 0.50 -0.34 0.00 0.00 178.44 179.89 2ju5 h LYS 99 N 0.81 0.84 0.17 1.25 3.64 -0.96 -1.98 116.57 120.35 2ju5 h LYS 99 Ca 0.18 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.21 2ju5 h LYS 99 Cb 0.33 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2ju5 h LYS 99 CO -0.00 0.56 -1.34 0.00 -2.27 0.00 0.00 179.45 176.40 2ju5 h ALA 100 N 1.60 0.01 -0.25 5.00 0.00 -1.12 -0.08 119.26 124.42 2ju5 h ALA 100 Ca 0.25 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 54.30 2ju5 h ALA 100 Cb -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2ju5 h ALA 100 CO -0.06 0.89 0.09 0.37 0.00 0.00 0.00 179.25 180.53 2ju5 h GLN 101 N 0.10 0.20 -0.56 0.00 4.15 0.06 -2.16 115.11 116.91 2ju5 h GLN 101 Ca -0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2ju5 h GLN 101 Cb 2.04 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.69 2ju5 h GLN 101 CO 0.23 0.13 0.00 0.66 -1.93 0.00 0.00 178.83 177.92 2ju5 n TYR 102 N -5.04 0.85 -3.68 3.99 4.01 -0.88 -4.93 117.16 111.49 2ju5 n TYR 102 Ca -0.01 -0.37 -0.22 0.00 -0.16 0.00 0.00 57.90 57.13 2ju5 n TYR 102 Cb 0.09 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.85 -4.42 -3.14 -0.72 5.02 -0.81 -4.94 118.16 110.00 2ju5 n LYS 103 Ca 0.17 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.68 2ju5 n LYS 103 Cb 0.54 -5.10 -0.06 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.65 5.06 0.00 -0.18 1.01 -0.05 -4.90 120.40 117.69 2ju5 s VAL 104 Ca 0.06 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2ju5 s VAL 104 Cb -0.02 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2ju5 s VAL 104 CO 0.81 0.18 0.00 1.07 0.00 0.00 0.00 175.10 177.16 2ju5 n THR 105 N 4.34 0.00 -4.31 3.92 5.66 -1.26 -4.78 114.28 117.85 2ju5 n THR 105 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.67 2ju5 n THR 105 Cb 0.50 -0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 68.57 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ju5 s GLY 106 N -3.39 1.77 0.09 1.09 0.00 -1.26 -5.13 107.32 100.49 2ju5 s GLY 106 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.59 2ju5 s GLY 106 CO 0.00 -1.15 -0.18 -0.11 0.00 0.00 0.00 173.10 171.66 2ju5 s PHE 107 N -1.15 1.57 0.31 1.90 -0.71 -1.26 -3.97 117.98 114.66 2ju5 s PHE 107 Ca 0.20 -0.44 -0.27 0.00 -1.04 0.00 0.00 56.93 55.38 2ju5 s PHE 107 Cb -0.11 -0.86 -0.09 0.00 -1.21 0.00 0.00 43.02 40.74 2ju5 s PHE 107 CO 0.12 0.15 1.00 -1.25 -1.34 0.00 0.00 175.22 173.90 2ju5 s PRO 108 N -1.88 4.57 -0.04 1.99 0.04 -1.26 -4.80 135.00 133.62 2ju5 s PRO 108 Ca 0.03 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 2ju5 s PRO 108 Cb -0.10 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.53 2ju5 s PRO 108 CO 0.04 0.23 0.01 -2.00 0.04 0.00 0.00 177.00 175.32 2ju5 s GLU 109 N -1.82 0.37 -0.21 4.56 2.12 -1.11 -3.78 118.70 118.83 2ju5 s GLU 109 Ca 0.48 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 2ju5 s GLU 109 Cb -0.24 -0.65 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 2ju5 s GLU 109 CO 0.30 -0.21 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.58 2ju5 s LEU 110 N 1.44 2.79 -0.12 2.70 0.20 0.30 -2.40 118.68 123.60 2ju5 s LEU 110 Ca -0.04 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.38 2ju5 s LEU 110 Cb -0.13 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 2ju5 s LEU 110 CO -0.03 -0.00 -0.16 0.68 -0.29 0.00 0.00 176.35 176.55 2ju5 s VAL 111 N 1.38 2.83 -0.22 1.68 -7.23 -1.19 -0.04 120.40 117.60 2ju5 s VAL 111 Ca 0.05 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2ju5 s VAL 111 Cb -0.14 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2ju5 s VAL 111 CO -0.04 0.53 0.19 -0.36 -0.31 0.00 0.00 175.10 175.11 2ju5 s PHE 112 N 0.32 3.35 0.12 2.82 0.08 0.64 -2.35 117.98 122.95 2ju5 s PHE 112 Ca -0.12 0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.28 2ju5 s PHE 112 Cb -0.16 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2ju5 s PHE 112 CO 0.06 0.11 -0.11 0.96 -0.10 0.00 0.00 175.22 176.14 2ju5 s ILE 113 N 0.93 1.13 0.60 0.64 -4.36 -0.47 -0.21 121.20 119.46 2ju5 s ILE 113 Ca 0.09 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.64 2ju5 s ILE 113 Cb -0.13 -1.60 0.12 0.00 1.25 0.00 0.00 42.46 42.09 2ju5 s ILE 113 CO 0.04 -0.61 0.82 -0.67 0.24 0.00 0.00 174.94 174.76 2ju5 n ASP 114 N 0.23 1.07 0.04 4.36 2.03 -0.16 0.62 116.55 124.73 2ju5 n ASP 114 Ca -0.13 -1.91 0.08 0.00 0.52 0.00 0.00 54.79 53.35 2ju5 n ASP 114 Cb 0.59 -0.53 0.36 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 -2.95 1.67 1.06 -1.67 0.00 -1.26 -1.38 120.51 115.98 2ju5 n ALA 115 Ca -0.14 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2ju5 n ALA 115 Cb 0.48 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.70 1.67 -0.67 0.00 4.71 -1.26 -4.80 120.64 118.59 2ju5 n GLU 116 Ca 0.03 -1.33 0.00 0.00 -0.01 0.00 0.00 57.16 55.85 2ju5 n GLU 116 Cb 0.19 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ju5 n GLY 117 N 1.37 0.63 3.74 0.62 0.00 -0.48 -5.04 105.19 106.03 2ju5 n GLY 117 Ca 0.12 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.81 4.56 -0.13 1.61 1.02 -1.26 -4.75 119.74 119.99 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 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 2ju5 s LYS 118 CO 0.00 0.24 1.05 -1.14 -0.92 0.00 0.00 175.35 174.58 2ju5 s GLN 119 N 0.03 4.37 -0.12 1.68 0.74 -1.26 -0.99 119.66 124.10 2ju5 s GLN 119 Ca 0.42 1.43 0.16 0.00 0.05 0.00 0.00 55.36 57.42 2ju5 s GLN 119 Cb -0.21 -3.58 -0.24 0.00 1.10 0.00 0.00 33.01 30.08 2ju5 s GLN 119 CO 0.25 -0.42 0.33 1.28 -0.55 0.00 0.00 175.29 176.18 2ju5 n LEU 120 N 5.42 0.34 -3.59 3.68 4.32 0.71 -4.98 117.00 122.89 2ju5 n LEU 120 Ca 0.10 0.16 0.02 0.00 -0.02 0.00 0.00 56.01 56.27 2ju5 n LEU 120 Cb 0.48 0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 42.61 2ju5 n LEU 120 CO 0.53 0.42 1.16 0.00 -1.22 0.00 0.00 177.39 178.27 2ju5 s ALA 121 N -2.60 -2.36 -0.09 -1.18 0.00 -1.22 -4.63 121.76 109.69 2ju5 s ALA 121 Ca -0.08 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2ju5 s ALA 121 Cb 0.07 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2ju5 s ALA 121 CO 0.83 -0.94 0.31 -0.98 0.00 0.00 0.00 175.76 174.98 2ju5 s ARG 122 N -2.16 0.46 0.06 0.00 1.70 -1.26 -0.26 118.95 117.48 2ju5 s ARG 122 Ca 0.14 0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 55.57 2ju5 s ARG 122 Cb 0.05 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2ju5 s ARG 122 CO -0.05 -0.08 0.11 -1.64 -1.08 0.00 0.00 175.30 172.56 2ju5 s MET 123 N -0.30 0.71 0.00 3.89 -1.94 0.94 -4.99 119.30 117.60 2ju5 s MET 123 Ca -0.04 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 52.99 2ju5 s MET 123 Cb -0.03 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.09 2ju5 s MET 123 CO 0.02 -0.19 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 2ju5 n GLY 124 N 0.25 5.03 3.72 -0.03 0.00 -1.26 0.11 105.19 113.00 2ju5 n GLY 124 Ca -0.16 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 2.70 3.64 -0.05 1.61 5.36 -1.25 -4.86 117.98 125.14 2ju5 s PHE 125 Ca 0.00 1.54 -0.05 0.00 -0.96 0.00 0.00 56.93 57.45 2ju5 s PHE 125 Cb 0.00 -2.99 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 2ju5 s PHE 125 CO 0.00 0.05 0.15 -1.21 -1.46 0.00 0.00 175.22 172.75 2ju5 s GLU 126 N 0.83 0.20 0.66 10.12 2.02 -1.26 -5.11 118.70 126.17 2ju5 s GLU 126 Ca 0.46 0.15 -0.13 0.00 0.02 0.00 0.00 54.97 55.47 2ju5 s GLU 126 Cb -0.20 0.10 -0.00 0.00 0.10 0.00 0.00 34.13 34.12 2ju5 s GLU 126 CO 0.24 -0.03 1.07 -1.25 0.02 0.00 0.00 175.26 175.31 2ju5 s PRO 127 N -0.05 2.99 0.00 0.39 0.04 -1.26 -4.48 135.00 132.62 2ju5 s PRO 127 Ca -0.01 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2ju5 s PRO 127 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2ju5 s PRO 127 CO 0.00 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2ju5 n GLY 128 N -1.33 1.54 0.00 0.56 0.00 -1.26 -4.95 105.19 99.75 2ju5 n GLY 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.13 0.26 -0.02 0.00 -1.26 -4.34 105.19 99.96 2ju5 n GLY 129 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 0.96 1.00 -0.02 0.00 -1.88 -2.36 103.07 100.76 2ju5 h GLY 130 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2ju5 h GLY 130 CO 0.00 0.56 0.16 0.00 0.00 0.00 0.00 176.54 177.27 2ju5 h ALA 131 N 1.01 0.31 -0.54 3.60 0.00 -1.92 -1.97 119.26 119.76 2ju5 h ALA 131 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2ju5 h ALA 131 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ju5 h ALA 131 CO 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.11 2ju5 h ALA 132 N 1.09 1.11 -0.46 0.00 0.00 -1.74 -2.83 119.26 116.41 2ju5 h ALA 132 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2ju5 h ALA 132 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2ju5 h ALA 132 CO -0.02 0.58 0.18 -0.92 0.00 0.00 0.00 179.25 179.07 2ju5 h TYR 133 N 0.82 0.71 -0.42 0.00 5.03 -1.07 -2.79 116.97 119.24 2ju5 h TYR 133 Ca 0.17 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.36 2ju5 h TYR 133 Cb 0.39 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2ju5 h TYR 133 CO 0.02 0.61 -0.00 -0.39 -1.32 0.00 0.00 178.16 177.08 2ju5 h VAL 134 N 0.61 1.23 -0.81 1.81 -1.51 -1.26 -2.25 116.25 114.06 2ju5 h VAL 134 Ca 0.15 -0.93 0.01 0.00 -1.23 0.00 0.00 66.70 64.71 2ju5 h VAL 134 Cb 0.20 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.23 2ju5 h VAL 134 CO -0.01 0.32 0.54 -1.28 -1.23 0.00 0.00 177.57 175.91 2ju5 h SER 135 N 0.65 0.92 -0.62 4.19 0.87 -1.26 -2.06 113.55 116.24 2ju5 h SER 135 Ca 0.13 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2ju5 h SER 135 Cb 0.41 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2ju5 h SER 135 CO 0.02 0.66 0.21 0.11 -0.53 0.00 0.00 176.83 177.30 2ju5 h LYS 136 N 1.09 0.95 -0.48 2.24 1.57 -1.18 -2.73 116.57 118.02 2ju5 h LYS 136 Ca 0.30 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 136 Cb -0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 2ju5 h LYS 136 CO -0.07 0.83 -0.10 -0.24 -0.57 0.00 0.00 179.45 179.30 2ju5 h VAL 137 N 0.87 1.26 -0.64 0.50 3.04 -1.12 -1.99 116.25 118.18 2ju5 h VAL 137 Ca 0.20 -1.20 0.02 0.00 -1.01 0.00 0.00 66.70 64.71 2ju5 h VAL 137 Cb 0.27 1.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.51 2ju5 h VAL 137 CO -0.01 0.41 0.41 0.11 -1.01 0.00 0.00 177.57 177.48 2ju5 h LYS 138 N 0.79 0.79 -0.50 4.17 1.57 -1.18 0.71 116.57 122.91 2ju5 h LYS 138 Ca 0.13 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2ju5 h LYS 138 Cb 0.61 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2ju5 h LYS 138 CO 0.04 0.52 -0.16 1.03 -0.57 0.00 0.00 179.45 180.31 2ju5 h SER 139 N 0.81 0.99 -0.64 0.86 0.87 -1.31 0.36 113.55 115.49 2ju5 h SER 139 Ca 0.25 -0.35 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2ju5 h SER 139 Cb -0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 2ju5 h SER 139 CO -0.08 1.13 0.09 0.00 -0.53 0.00 0.00 176.83 177.44 2ju5 h ALA 140 N 0.95 0.85 -0.01 6.23 0.00 -0.75 -2.83 119.26 123.70 2ju5 h ALA 140 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ju5 h ALA 140 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ju5 h ALA 140 CO 0.06 0.63 -0.10 1.28 0.00 0.00 0.00 179.25 181.11 2ju5 n LEU 141 N -4.24 1.24 -3.07 0.00 4.32 0.19 -4.66 117.00 110.78 2ju5 n LEU 141 Ca 0.04 -0.37 -0.16 0.00 -0.02 0.00 0.00 56.01 55.49 2ju5 n LEU 141 Cb 0.29 -0.05 0.07 0.00 -1.62 0.00 0.00 43.42 42.11 2ju5 n LEU 141 CO 0.43 0.21 0.12 0.29 -1.22 0.00 0.00 177.39 177.23 2ju5 n LYS 142 N -0.21 -5.89 -3.44 3.23 4.76 -0.42 -4.98 118.16 111.21 2ju5 n LYS 142 Ca 0.16 0.71 -0.38 0.00 -2.87 0.00 0.00 58.31 55.94 2ju5 n LYS 142 Cb 0.34 -5.34 -0.08 0.00 -1.84 0.00 0.00 35.03 28.11 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 -5.84 4.14 0.00 -0.35 1.02 -0.02 -5.04 118.68 112.59 2ju5 s LEU 143 Ca 0.13 0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.71 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 0.62 -0.06 0.33 -1.14 0.02 0.00 0.00 176.35 176.12