#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 0.83 -6.82 0.00 3.08 -2.12 -3.42 114.38 105.94 2ju5 h ARG 2 Ca 0.00 -0.12 -0.49 0.00 0.07 0.00 0.00 59.98 59.44 2ju5 h ARG 2 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2ju5 h ARG 2 CO 0.00 0.67 0.38 1.03 -1.07 0.00 0.00 179.97 180.98 2ju5 s ARG 3 N -5.40 4.68 0.20 0.04 0.52 -1.26 -4.96 118.95 112.78 2ju5 s ARG 3 Ca -0.10 1.52 -0.10 0.00 -0.52 0.00 0.00 55.73 56.53 2ju5 s ARG 3 Cb 0.16 -3.07 0.13 0.00 0.52 0.00 0.00 34.95 32.70 2ju5 s ARG 3 CO 0.79 0.33 1.80 -0.09 0.02 0.00 0.00 175.30 178.16 2ju5 h ARG 4 N 3.68 1.03 -4.88 3.54 2.43 -2.11 -3.48 114.38 114.58 2ju5 h ARG 4 Ca -0.46 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2ju5 h ARG 4 Cb 1.20 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2ju5 h ARG 4 CO 0.66 0.78 -0.92 0.00 -1.51 0.00 0.00 179.97 178.99 2ju5 n ALA 5 N -2.36 -2.26 -1.87 2.80 0.00 -1.26 -4.96 120.51 110.59 2ju5 n ALA 5 Ca 0.06 0.99 -0.31 0.00 0.00 0.00 0.00 53.44 54.18 2ju5 n ALA 5 Cb 0.11 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.31 2ju5 n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ju5 s SER 6 N -0.46 5.80 0.49 0.00 1.04 -1.26 -5.03 113.70 114.28 2ju5 s SER 6 Ca -0.09 1.27 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 2ju5 s SER 6 Cb 0.01 -2.18 -0.07 0.00 0.10 0.00 0.00 66.02 63.88 2ju5 s SER 6 CO 0.25 -1.13 1.15 -0.83 0.98 0.00 0.00 173.24 173.66 2ju5 s GLY 7 N -4.27 2.73 -0.03 7.32 0.00 -1.26 -5.05 107.32 106.75 2ju5 s GLY 7 Ca 0.57 0.89 0.05 0.00 0.00 0.00 0.00 44.72 46.23 2ju5 s GLY 7 CO 0.53 1.31 -0.17 -0.54 0.00 0.00 0.00 173.10 174.23 2ju5 s GLU 8 N -2.91 1.68 0.16 2.90 2.02 -1.26 -5.14 118.70 116.15 2ju5 s GLU 8 Ca 0.67 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.93 2ju5 s GLU 8 Cb -0.27 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.46 2ju5 s GLU 8 CO 0.32 0.29 0.34 0.54 0.02 0.00 0.00 175.26 176.77 2ju5 s ASN 9 N -0.11 -0.04 -0.11 -0.19 2.20 -1.26 -5.16 114.94 110.26 2ju5 s ASN 9 Ca -0.00 -0.72 0.02 0.00 -0.94 0.00 0.00 52.86 51.22 2ju5 s ASN 9 Cb -0.10 0.46 -0.01 0.00 -2.00 0.00 0.00 41.25 39.61 2ju5 s ASN 9 CO 0.01 -0.91 -0.19 -0.76 -2.94 0.00 0.00 177.10 172.31 2ju5 s LEU 10 N -2.92 2.38 0.35 3.54 1.43 -1.26 -4.99 118.68 117.21 2ju5 s LEU 10 Ca 0.13 -0.45 0.26 0.00 -1.03 0.00 0.00 54.13 53.05 2ju5 s LEU 10 Cb 0.02 -1.50 0.86 0.00 0.03 0.00 0.00 46.19 45.60 2ju5 s LEU 10 CO -0.03 0.17 1.77 1.56 0.23 0.00 0.00 176.35 180.05 2ju5 h GLN 11 N 6.68 0.00 0.00 1.70 4.20 -2.01 -3.05 115.11 122.63 2ju5 h GLN 11 Ca -0.22 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2ju5 h GLN 11 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2ju5 h GLN 11 CO 0.51 0.00 -0.25 0.37 -0.67 0.00 0.00 178.83 178.79 2ju5 h GLN 12 N 0.00 0.00 -7.08 1.46 4.15 -2.03 -3.43 115.11 108.18 2ju5 h GLN 12 Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.95 2ju5 h GLN 12 Cb 0.66 0.00 0.05 0.00 0.21 0.00 0.00 27.48 28.41 2ju5 h GLN 12 CO 0.00 0.25 0.15 0.95 -1.93 0.00 0.00 178.83 178.25 2ju5 s THR 13 N -4.43 3.59 -1.35 2.39 -4.23 -1.15 -4.40 115.64 106.06 2ju5 s THR 13 Ca -0.03 -0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 2ju5 s THR 13 Cb 0.15 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.59 2ju5 s THR 13 CO 0.70 -0.42 0.41 0.54 -0.54 0.00 0.00 174.62 175.30 2ju5 n ARG 14 N -2.55 -0.67 0.15 3.99 1.74 -1.26 -4.85 116.66 113.21 2ju5 n ARG 14 Ca 0.04 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.22 2ju5 n ARG 14 Cb 0.58 -3.06 0.21 0.00 -1.02 0.00 0.00 32.46 29.17 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2ju5 h PRO 15 N -2.27 0.00 -0.01 5.56 0.13 -1.82 -3.21 132.00 130.39 2ju5 h PRO 15 Ca -0.69 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2ju5 h PRO 15 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2ju5 h PRO 15 CO 0.60 0.57 -0.31 0.44 -0.23 0.00 0.00 178.00 179.07 2ju5 n ILE 16 N -3.87 0.00 -2.11 -3.56 -5.35 -1.26 -5.00 119.36 98.21 2ju5 n ILE 16 Ca -0.01 -0.35 -0.40 0.00 -0.27 0.00 0.00 62.75 61.72 2ju5 n ILE 16 Cb 0.57 1.17 -0.01 0.00 -1.74 0.00 0.00 39.64 39.63 2ju5 n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ju5 s ALA 17 N -1.77 3.31 0.47 -1.28 0.00 -1.21 -4.67 121.76 116.61 2ju5 s ALA 17 Ca 0.12 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2ju5 s ALA 17 Cb 0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2ju5 s ALA 17 CO 0.37 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.40 2ju5 n ALA 18 N 0.31 -1.97 -1.76 0.00 0.00 -1.26 -4.82 120.51 111.02 2ju5 n ALA 18 Ca 0.03 0.48 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 2ju5 n ALA 18 Cb 0.43 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.46 2ju5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ju5 n ALA 19 N -0.15 5.52 -1.02 0.00 0.00 -1.26 -5.08 120.51 118.52 2ju5 n ALA 19 Ca 0.00 -3.67 0.13 0.00 0.00 0.00 0.00 53.44 49.90 2ju5 n ALA 19 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 2ju5 n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ju5 n ASN 20 N -0.79 -6.03 -4.76 0.00 5.15 -1.26 -4.68 115.26 102.89 2ju5 n ASN 20 Ca 0.51 1.04 -0.40 0.00 -0.60 0.00 0.00 54.58 55.13 2ju5 n ASN 20 Cb 0.85 -3.06 -0.04 0.00 -0.53 0.00 0.00 39.78 37.01 2ju5 n ASN 20 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2ju5 s LEU 21 N 0.00 4.52 -0.46 1.20 2.96 -1.26 -5.00 118.68 120.63 2ju5 s LEU 21 Ca 0.00 2.38 -0.16 0.00 -0.22 0.00 0.00 54.13 56.13 2ju5 s LEU 21 Cb 0.00 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.11 2ju5 s LEU 21 CO 0.00 -0.25 0.41 -1.10 -1.32 0.00 0.00 176.35 174.08 2ju5 s GLN 22 N -1.51 3.00 0.20 1.98 -1.52 -1.26 -5.06 119.66 115.49 2ju5 s GLN 22 Ca 0.46 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.40 2ju5 s GLN 22 Cb -0.34 -4.08 -0.08 0.00 -0.22 0.00 0.00 33.01 28.28 2ju5 s GLN 22 CO 0.44 -0.98 0.94 -1.58 -0.25 0.00 0.00 175.29 173.86 2ju5 s TRP 23 N 1.81 3.94 0.32 0.91 0.51 -1.26 -4.50 118.94 120.68 2ju5 s TRP 23 Ca 0.06 1.87 0.07 0.00 -2.12 0.00 0.00 56.10 55.99 2ju5 s TRP 23 Cb -0.22 -2.99 -0.06 0.00 -0.81 0.00 0.00 33.47 29.39 2ju5 s TRP 23 CO 0.09 0.39 -0.04 -1.21 -0.51 0.00 0.00 176.95 175.67 2ju5 s GLU 24 N -0.86 1.70 0.58 4.98 2.02 -0.62 -5.05 118.70 121.45 2ju5 s GLU 24 Ca 0.42 -1.90 -0.08 0.00 0.02 0.00 0.00 54.97 53.44 2ju5 s GLU 24 Cb -0.25 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 2ju5 s GLU 24 CO 0.31 0.02 0.92 -1.54 0.02 0.00 0.00 175.26 174.99 2ju5 s SER 25 N -3.53 5.96 0.16 -0.19 1.04 -1.26 -4.32 113.70 111.56 2ju5 s SER 25 Ca 0.32 1.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 2ju5 s SER 25 Cb 0.05 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 64.11 2ju5 s SER 25 CO 0.15 -0.89 1.78 0.22 0.98 0.00 0.00 173.24 175.48 2ju5 h TYR 26 N -0.14 0.67 -0.45 5.02 3.20 -1.94 0.21 116.97 123.55 2ju5 h TYR 26 Ca -0.46 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.30 2ju5 h TYR 26 Cb 1.22 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 2ju5 h TYR 26 CO 0.56 0.48 -0.15 0.00 -1.64 0.00 0.00 178.16 177.41 2ju5 h ALA 27 N 1.13 0.88 -0.44 1.82 0.00 -2.01 -2.78 119.26 117.86 2ju5 h ALA 27 Ca 0.18 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2ju5 h ALA 27 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ju5 h ALA 27 CO -0.03 0.63 -0.25 0.93 0.00 0.00 0.00 179.25 180.53 2ju5 h GLU 28 N 0.76 0.92 -0.42 0.00 4.39 -1.82 -3.00 114.58 115.40 2ju5 h GLU 28 Ca 0.12 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2ju5 h GLU 28 Cb 0.67 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2ju5 h GLU 28 CO 0.05 1.06 0.24 0.00 -1.16 0.00 0.00 179.01 179.19 2ju5 h ALA 29 N 0.92 0.54 -0.56 3.43 0.00 -0.42 -2.38 119.26 120.80 2ju5 h ALA 29 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2ju5 h ALA 29 Cb 0.81 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2ju5 h ALA 29 CO 0.07 0.06 0.08 -0.07 0.00 0.00 0.00 179.25 179.39 2ju5 h LEU 30 N 0.55 0.90 -0.96 0.00 3.38 -1.49 -0.20 115.31 117.48 2ju5 h LEU 30 Ca 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2ju5 h LEU 30 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2ju5 h LEU 30 CO -0.02 0.93 0.05 1.05 0.09 0.00 0.00 178.44 180.54 2ju5 h GLU 31 N 0.82 0.81 -0.30 1.13 4.11 -1.42 0.20 114.58 119.94 2ju5 h GLU 31 Ca 0.17 -0.20 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 2ju5 h GLU 31 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2ju5 h GLU 31 CO 0.01 0.78 0.00 0.45 0.07 0.00 0.00 179.01 180.32 2ju5 h HIS 32 N 0.77 0.58 -0.53 2.06 3.86 -1.17 -2.99 115.15 117.72 2ju5 h HIS 32 Ca 0.16 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2ju5 h HIS 32 Cb 0.39 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2ju5 h HIS 32 CO 0.02 0.67 0.18 0.77 0.86 0.00 0.00 177.93 180.43 2ju5 h SER 33 N 0.33 0.72 -0.23 2.45 0.02 -0.46 2.45 113.55 118.81 2ju5 h SER 33 Ca 0.09 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 33 Cb 0.43 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2ju5 h SER 33 CO 0.02 0.67 0.16 0.11 -1.14 0.00 0.00 176.83 176.65 2ju5 h LYS 34 N 0.77 0.14 0.00 3.45 1.57 -0.48 1.55 116.57 123.57 2ju5 h LYS 34 Ca 0.18 -0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.55 2ju5 h LYS 34 Cb 0.20 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2ju5 h LYS 34 CO -0.01 0.09 -2.48 1.04 -0.57 0.00 0.00 179.45 177.52 2ju5 n GLN 35 N -4.49 0.65 0.02 3.15 6.02 -0.39 -4.62 117.38 117.72 2ju5 n GLN 35 Ca 0.02 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 2ju5 n GLN 35 Cb 0.21 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 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 -3.34 0.34 -0.22 1.08 8.00 0.81 -4.99 116.55 118.23 2ju5 n ASP 36 Ca -0.46 0.13 -0.03 0.00 0.71 0.00 0.00 54.79 55.14 2ju5 n ASP 36 Cb 0.98 1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 43.34 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 -2.49 0.00 -2.40 1.24 8.25 0.53 -4.95 115.22 115.40 2ju5 n HIS 37 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 2ju5 n HIS 37 Cb 0.64 -1.16 -0.03 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.47 4.46 0.69 -0.41 -0.14 -1.26 -4.86 119.74 116.75 2ju5 s LYS 38 Ca 0.00 1.81 -0.17 0.00 -1.36 0.00 0.00 55.97 56.26 2ju5 s LYS 38 Cb 0.00 -3.30 0.01 0.00 -1.68 0.00 0.00 37.83 32.86 2ju5 s LYS 38 CO 0.00 -0.17 1.19 -2.30 -0.76 0.00 0.00 175.35 173.31 2ju5 n PRO 39 N 3.29 0.82 -4.37 -1.68 -0.02 -1.26 -4.64 135.00 127.14 2ju5 n PRO 39 Ca 0.07 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 2ju5 n PRO 39 Cb 0.46 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.60 3.77 -0.33 4.25 1.01 0.13 -1.61 121.20 126.82 2ju5 s ILE 40 Ca 0.79 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 2ju5 s ILE 40 Cb -0.36 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2ju5 s ILE 40 CO 0.44 0.48 0.16 -0.83 0.00 0.00 0.00 174.94 175.20 2ju5 s GLY 41 N 0.52 1.88 -0.31 6.18 0.00 0.20 -1.75 107.32 114.03 2ju5 s GLY 41 Ca -0.04 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.03 2ju5 s GLY 41 CO 0.03 0.74 0.45 1.08 0.00 0.00 0.00 173.10 175.39 2ju5 s LEU 42 N 1.59 4.22 -0.49 0.66 1.02 -1.07 -0.62 118.68 123.99 2ju5 s LEU 42 Ca 0.04 0.12 -0.20 0.00 0.02 0.00 0.00 54.13 54.11 2ju5 s LEU 42 Cb -0.18 -2.51 0.04 0.00 0.02 0.00 0.00 46.19 43.56 2ju5 s LEU 42 CO 0.06 -0.34 0.66 0.12 0.02 0.00 0.00 176.35 176.87 2ju5 s PHE 43 N 2.23 3.03 -0.27 0.29 5.36 0.15 -3.28 117.98 125.48 2ju5 s PHE 43 Ca 0.17 -0.31 -0.15 0.00 -0.96 0.00 0.00 56.93 55.68 2ju5 s PHE 43 Cb -0.16 -3.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.97 2ju5 s PHE 43 CO 0.11 -1.01 0.36 -0.06 -1.46 0.00 0.00 175.22 173.16 2ju5 s PHE 44 N 2.84 3.24 0.23 10.12 0.08 -0.97 -0.59 117.98 132.93 2ju5 s PHE 44 Ca 0.19 0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.56 2ju5 s PHE 44 Cb -0.17 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 2ju5 s PHE 44 CO 0.15 -0.23 0.38 0.25 -0.10 0.00 0.00 175.22 175.67 2ju5 n THR 45 N 5.12 0.00 -3.65 0.64 -2.24 -0.87 -2.75 114.28 110.52 2ju5 n THR 45 Ca -0.09 -0.91 -0.29 0.00 -2.27 0.00 0.00 64.05 60.49 2ju5 n THR 45 Cb 0.51 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.32 1.60 0.35 3.38 0.00 -1.26 0.19 107.32 109.25 2ju5 s GLY 46 Ca 0.15 -2.57 0.12 0.00 0.00 0.00 0.00 44.72 42.41 2ju5 s GLY 46 CO 0.11 1.65 1.79 1.76 0.00 0.00 0.00 173.10 178.41 2ju5 h SER 47 N 6.54 0.62 -0.02 1.64 0.02 -1.89 -1.95 113.55 118.51 2ju5 h SER 47 Ca 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2ju5 h SER 47 Cb 0.92 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2ju5 h SER 47 CO 0.46 0.19 -0.24 0.47 -1.14 0.00 0.00 176.83 176.57 2ju5 n ASP 48 N -4.69 2.16 0.00 3.07 8.00 -1.26 -4.75 116.55 119.08 2ju5 n ASP 48 Ca 0.23 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2ju5 n ASP 48 Cb 0.69 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N 0.41 0.00 -3.67 1.24 4.27 -1.06 -4.86 117.44 113.77 2ju5 n TRP 49 Ca 0.09 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.38 2ju5 n TRP 49 Cb 0.44 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.34 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 0.45 0.89 0.26 0.00 1.56 -1.26 -4.24 117.12 114.78 2ju5 n MET 51 Ca -0.05 0.06 0.10 0.00 -0.27 0.00 0.00 57.70 57.54 2ju5 n MET 51 Cb 0.52 -1.35 0.70 0.00 2.15 0.00 0.00 33.22 35.25 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 -0.34 1.12 4.06 -1.95 -0.55 115.95 118.28 2ju5 h TRP 52 Ca -0.38 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.47 2ju5 h TRP 52 Cb 1.68 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.83 2ju5 h TRP 52 CO 0.01 0.07 -0.19 0.00 -3.56 0.00 0.00 178.44 174.77 2ju5 h ILE 54 N 0.51 1.18 -0.35 0.00 2.04 -1.33 0.18 117.51 119.74 2ju5 h ILE 54 Ca 0.07 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ju5 h ILE 54 Cb 0.73 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2ju5 h ILE 54 CO 0.05 0.19 0.18 0.11 0.00 0.00 0.00 178.15 178.69 2ju5 h LYS 55 N 0.68 0.49 -0.35 2.37 1.79 -1.02 1.74 116.57 122.27 2ju5 h LYS 55 Ca 0.18 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2ju5 h LYS 55 Cb 0.06 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2ju5 h LYS 55 CO -0.03 0.42 0.20 1.98 -1.08 0.00 0.00 179.45 180.94 2ju5 h MET 56 N 0.43 0.48 -0.16 3.15 4.05 -0.69 1.35 114.93 123.55 2ju5 h MET 56 Ca 0.12 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2ju5 h MET 56 Cb 0.08 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2ju5 h MET 56 CO -0.02 0.38 0.03 0.37 0.23 0.00 0.00 176.91 177.90 2ju5 h GLN 57 N 0.44 0.26 -0.36 0.39 4.15 -0.32 0.59 115.11 120.26 2ju5 h GLN 57 Ca 0.12 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.31 2ju5 h GLN 57 Cb 0.03 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2ju5 h GLN 57 CO -0.02 0.42 -0.41 0.22 -1.93 0.00 0.00 178.83 177.10 2ju5 h ASP 58 N 0.05 0.98 0.69 -0.69 3.58 0.29 -0.14 116.42 121.19 2ju5 h ASP 58 Ca 0.05 -0.46 -0.23 0.00 0.42 0.00 0.00 57.03 56.80 2ju5 h ASP 58 Cb 0.28 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 2ju5 h ASP 58 CO 0.00 1.26 -1.44 1.56 -2.88 0.00 0.00 179.24 177.74 2ju5 h GLN 59 N 0.74 0.00 0.00 0.28 4.20 0.18 -3.39 115.11 117.12 2ju5 h GLN 59 Ca 0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2ju5 h GLN 59 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2ju5 h GLN 59 CO 0.10 0.50 -0.84 -0.89 -0.67 0.00 0.00 178.83 177.03 2ju5 n ILE 60 N -3.05 0.80 -0.32 2.54 5.41 0.20 -3.57 119.36 121.37 2ju5 n ILE 60 Ca -0.11 0.11 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2ju5 n ILE 60 Cb 0.95 -1.67 0.13 0.00 -0.71 0.00 0.00 39.64 38.34 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 -0.24 1.08 -1.16 1.39 -0.00 -1.17 -2.22 115.31 112.98 2ju5 h LEU 61 Ca -0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2ju5 h LEU 61 Cb 0.72 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2ju5 h LEU 61 CO -0.05 0.83 0.00 0.00 -0.00 0.00 0.00 178.44 179.22 2ju5 n GLN 62 N -4.36 1.76 -2.74 1.13 1.13 -0.08 -4.29 117.38 109.93 2ju5 n GLN 62 Ca 0.10 -1.15 -0.33 0.00 -1.94 0.00 0.00 57.00 53.68 2ju5 n GLN 62 Cb 0.07 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 2ju5 n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ju5 s SER 63 N -1.53 6.82 0.19 1.08 0.01 -0.84 -4.93 113.70 114.51 2ju5 s SER 63 Ca 0.32 1.59 -0.12 0.00 1.31 0.00 0.00 55.95 59.05 2ju5 s SER 63 Cb 0.17 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 64.01 2ju5 s SER 63 CO 0.26 -0.41 1.86 -1.28 0.41 0.00 0.00 173.24 174.07 2ju5 h SER 64 N 1.65 0.71 -0.56 2.44 0.87 -1.91 -1.23 113.55 115.52 2ju5 h SER 64 Ca -0.48 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 2ju5 h SER 64 Cb 1.18 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2ju5 h SER 64 CO 0.62 0.51 0.26 -0.33 -0.53 0.00 0.00 176.83 177.35 2ju5 h GLU 65 N 0.84 0.81 -0.28 2.24 4.39 -1.91 -1.33 114.58 119.34 2ju5 h GLU 65 Ca 0.23 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 2ju5 h GLU 65 Cb -0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2ju5 h GLU 65 CO -0.06 0.67 -0.05 0.35 -1.16 0.00 0.00 179.01 178.77 2ju5 h PHE 66 N 0.75 0.58 -0.66 4.33 3.04 -1.72 -1.00 116.94 122.26 2ju5 h PHE 66 Ca 0.19 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 2ju5 h PHE 66 Cb 0.14 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 2ju5 h PHE 66 CO -0.00 0.71 0.40 0.87 -2.02 0.00 0.00 178.31 178.27 2ju5 h LYS 67 N 0.28 0.89 -0.25 1.11 1.57 -1.12 0.36 116.57 119.42 2ju5 h LYS 67 Ca 0.07 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2ju5 h LYS 67 Cb 0.51 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2ju5 h LYS 67 CO 0.02 0.63 -0.05 1.25 -0.57 0.00 0.00 179.45 180.73 2ju5 h HIS 68 N 0.89 0.52 -0.05 -1.35 2.76 -1.21 0.25 115.15 116.97 2ju5 h HIS 68 Ca 0.24 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2ju5 h HIS 68 Cb -0.03 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 2ju5 h HIS 68 CO -0.02 0.68 0.03 0.35 -1.30 0.00 0.00 177.93 177.68 2ju5 h PHE 69 N 0.22 0.07 -0.32 5.26 3.57 -0.83 -2.22 116.94 122.69 2ju5 h PHE 69 Ca 0.06 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 2ju5 h PHE 69 Cb 0.51 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2ju5 h PHE 69 CO 0.05 0.12 -0.34 0.00 -2.23 0.00 0.00 178.31 175.90 2ju5 h ALA 70 N 0.95 0.81 -0.57 2.41 0.00 -0.26 0.57 119.26 123.17 2ju5 h ALA 70 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2ju5 h ALA 70 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ju5 h ALA 70 CO -0.00 0.65 0.18 0.78 0.00 0.00 0.00 179.25 180.85 2ju5 h GLY 71 N 0.97 0.92 0.57 0.00 0.00 -0.41 0.16 103.07 105.29 2ju5 h GLY 71 Ca 0.06 -0.51 -0.31 0.00 0.00 0.00 0.00 47.33 46.57 2ju5 h GLY 71 CO 0.08 0.48 -1.64 -2.08 0.00 0.00 0.00 176.54 173.37 2ju5 h VAL 72 N 0.83 0.87 -0.01 4.60 2.07 -1.25 -3.42 116.25 119.95 2ju5 h VAL 72 Ca 0.19 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.34 2ju5 h VAL 72 Cb 0.25 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2ju5 h VAL 72 CO -0.01 0.75 -0.40 1.41 0.02 0.00 0.00 177.57 179.34 2ju5 n HIS 73 N -3.79 0.00 -4.19 1.57 -0.00 0.20 -5.07 115.22 103.94 2ju5 n HIS 73 Ca -0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.32 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 -2.14 1.14 -0.16 2.41 1.02 0.56 -4.31 118.68 117.20 2ju5 s LEU 74 Ca 0.09 -1.37 -0.00 0.00 0.02 0.00 0.00 54.13 52.87 2ju5 s LEU 74 Cb 0.11 0.42 -0.00 0.00 0.02 0.00 0.00 46.19 46.74 2ju5 s LEU 74 CO 0.41 -0.85 -0.15 -1.00 0.02 0.00 0.00 176.35 174.79 2ju5 s HIS 75 N -4.15 2.79 -0.12 0.29 3.76 -0.63 -4.51 115.29 112.72 2ju5 s HIS 75 Ca 0.38 -1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 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 0.12 -0.48 0.05 1.41 -0.85 0.00 0.00 174.74 174.99 2ju5 s MET 76 N 0.85 3.38 -0.06 1.40 1.75 -1.26 -0.63 119.30 124.73 2ju5 s MET 76 Ca -0.04 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.10 2ju5 s MET 76 Cb -0.15 -3.00 0.00 0.00 2.84 0.00 0.00 34.83 34.52 2ju5 s MET 76 CO -0.01 0.59 -0.17 0.08 -0.65 0.00 0.00 175.02 174.86 2ju5 s VAL 77 N -0.54 1.48 -0.20 10.11 1.01 0.21 -1.58 120.40 130.90 2ju5 s VAL 77 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2ju5 s VAL 77 Cb -0.12 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2ju5 s VAL 77 CO 0.02 0.43 0.18 -0.70 0.00 0.00 0.00 175.10 175.03 2ju5 s GLU 78 N 0.29 4.19 -0.34 2.72 2.12 -1.26 -0.67 118.70 125.75 2ju5 s GLU 78 Ca -0.10 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 2ju5 s GLU 78 Cb -0.14 -3.44 0.11 0.00 0.26 0.00 0.00 34.13 30.92 2ju5 s GLU 78 CO 0.04 0.25 0.15 0.08 -0.54 0.00 0.00 175.26 175.24 2ju5 s VAL 79 N 0.49 0.63 0.04 3.70 1.01 0.24 -4.90 120.40 121.61 2ju5 s VAL 79 Ca 0.10 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.58 2ju5 s VAL 79 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2ju5 s VAL 79 CO 0.00 -0.79 0.02 -1.81 0.00 0.00 0.00 175.10 172.53 2ju5 s ASP 80 N 1.39 5.21 -0.65 3.32 1.01 -1.26 -2.04 116.67 123.64 2ju5 s ASP 80 Ca 0.13 -0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.40 2ju5 s ASP 80 Cb -0.19 -1.35 0.22 0.00 1.01 0.00 0.00 42.92 42.61 2ju5 s ASP 80 CO -0.18 0.23 0.63 0.49 0.21 0.00 0.00 175.17 176.55 2ju5 n PHE 81 N 0.99 3.22 -1.55 4.23 3.01 0.13 -4.94 117.46 122.55 2ju5 n PHE 81 Ca -0.12 -4.18 -0.31 0.00 1.01 0.00 0.00 57.45 53.85 2ju5 n PHE 81 Cb 0.52 -0.56 0.06 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.97 2.81 0.12 -1.08 0.04 -1.26 -4.44 135.00 129.22 2ju5 s PRO 82 Ca 0.34 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.33 2ju5 s PRO 82 Cb 0.07 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 2ju5 s PRO 82 CO -0.08 -1.20 1.30 1.96 0.04 0.00 0.00 177.00 179.01 2ju5 h GLN 83 N -0.69 0.60 -4.02 4.56 1.08 -1.95 -3.37 115.11 111.32 2ju5 h GLN 83 Ca -0.44 -0.57 -0.75 0.00 -1.45 0.00 0.00 58.65 55.44 2ju5 h GLN 83 Cb 1.22 0.14 -0.27 0.00 -0.05 0.00 0.00 27.48 28.52 2ju5 h GLN 83 CO 0.55 1.19 -0.18 0.21 -0.95 0.00 0.00 178.83 179.65 2ju5 s LYS 84 N -3.47 3.00 -0.13 1.46 2.20 -1.26 -5.04 119.74 116.49 2ju5 s LYS 84 Ca -0.08 -2.02 -0.18 0.00 -0.36 0.00 0.00 55.97 53.33 2ju5 s LYS 84 Cb 0.08 -4.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 2ju5 s LYS 84 CO 0.89 -1.27 0.47 1.21 -0.36 0.00 0.00 175.35 176.29 2ju5 s ASN 85 N 2.68 6.65 -0.03 1.43 3.84 -1.26 -4.94 114.94 123.31 2ju5 s ASN 85 Ca 0.09 0.77 0.04 0.00 0.21 0.00 0.00 52.86 53.98 2ju5 s ASN 85 Cb -0.22 -2.28 0.06 0.00 -0.55 0.00 0.00 41.25 38.26 2ju5 s ASN 85 CO -0.02 -0.02 0.95 1.41 -2.79 0.00 0.00 177.10 176.63 2ju5 n HIS 86 N 3.82 0.00 -3.04 0.43 8.25 -1.26 -5.08 115.22 118.34 2ju5 n HIS 86 Ca -0.07 -0.25 -0.33 0.00 -0.26 0.00 0.00 57.72 56.80 2ju5 n HIS 86 Cb 0.51 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.70 4.13 0.74 -0.41 -1.52 -1.26 -5.04 119.66 115.60 2ju5 s GLN 87 Ca 0.07 0.84 -0.14 0.00 -1.95 0.00 0.00 55.36 54.18 2ju5 s GLN 87 Cb 0.06 -2.47 0.05 0.00 -0.22 0.00 0.00 33.01 30.42 2ju5 s GLN 87 CO 0.01 0.16 1.18 -1.25 -0.25 0.00 0.00 175.29 175.14 2ju5 s PRO 88 N -2.80 2.10 0.22 2.91 0.04 -1.26 -4.75 135.00 131.46 2ju5 s PRO 88 Ca 0.54 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.16 2ju5 s PRO 88 Cb -0.12 -1.84 0.33 0.00 0.04 0.00 0.00 34.50 32.91 2ju5 s PRO 88 CO 0.17 -1.84 1.72 1.49 0.04 0.00 0.00 177.00 178.58 2ju5 h GLU 89 N -0.46 0.31 -0.99 4.56 4.81 -1.99 -1.51 114.58 119.32 2ju5 h GLU 89 Ca -0.47 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2ju5 h GLU 89 Cb 1.28 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2ju5 h GLU 89 CO 0.49 0.21 0.64 0.93 -0.73 0.00 0.00 179.01 180.55 2ju5 h GLU 90 N 0.32 1.15 -0.39 1.92 5.08 -2.00 -0.44 114.58 120.23 2ju5 h GLU 90 Ca 0.33 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 2ju5 h GLU 90 Cb 0.49 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ju5 h GLU 90 CO -0.39 0.76 -0.38 0.37 -1.00 0.00 0.00 179.01 178.38 2ju5 h GLN 91 N 1.19 0.95 -0.44 2.33 4.15 -1.69 -2.52 115.11 119.07 2ju5 h GLN 91 Ca 0.41 -0.50 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 2ju5 h GLN 91 Cb 0.11 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2ju5 h GLN 91 CO -0.15 1.15 0.08 0.00 -1.93 0.00 0.00 178.83 177.98 2ju5 h ARG 92 N 0.77 0.73 -0.26 1.69 3.08 -0.68 -1.39 114.38 118.32 2ju5 h ARG 92 Ca 0.06 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2ju5 h ARG 92 Cb 0.98 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2ju5 h ARG 92 CO 0.09 0.75 0.14 1.96 -1.07 0.00 0.00 179.97 181.84 2ju5 h GLN 93 N 0.60 0.37 -0.59 0.04 4.20 -1.07 -1.15 115.11 117.50 2ju5 h GLN 93 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2ju5 h GLN 93 Cb 0.37 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2ju5 h GLN 93 CO 0.01 0.33 0.29 -0.22 -0.67 0.00 0.00 178.83 178.57 2ju5 h LYS 94 N 0.30 0.85 -0.77 1.46 3.64 -1.40 -1.60 116.57 119.05 2ju5 h LYS 94 Ca 0.09 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2ju5 h LYS 94 Cb 0.08 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2ju5 h LYS 94 CO -0.01 0.68 0.40 -0.91 -2.27 0.00 0.00 179.45 177.34 2ju5 h ASN 95 N 0.80 0.97 -0.52 4.20 2.35 -1.03 -0.35 115.58 122.02 2ju5 h ASN 95 Ca 0.20 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2ju5 h ASN 95 Cb 0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2ju5 h ASN 95 CO -0.03 0.81 -0.03 1.56 -1.65 0.00 0.00 177.43 178.09 2ju5 h GLN 96 N 1.07 0.97 -0.64 0.81 4.20 -0.92 -0.29 115.11 120.32 2ju5 h GLN 96 Ca 0.27 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2ju5 h GLN 96 Cb 0.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2ju5 h GLN 96 CO -0.04 0.98 0.14 1.49 -0.67 0.00 0.00 178.83 180.73 2ju5 h GLU 97 N 0.89 1.03 -0.66 1.46 4.81 -0.87 -2.32 114.58 118.93 2ju5 h GLU 97 Ca 0.16 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2ju5 h GLU 97 Cb 0.57 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2ju5 h GLU 97 CO 0.03 0.94 0.11 1.25 -0.73 0.00 0.00 179.01 180.61 2ju5 h LEU 98 N 0.95 1.04 -1.17 1.64 5.85 -0.78 0.34 115.31 123.17 2ju5 h LEU 98 Ca 0.20 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ju5 h LEU 98 Cb 0.38 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2ju5 h LEU 98 CO 0.00 1.03 0.56 0.50 -0.34 0.00 0.00 178.44 180.20 2ju5 h LYS 99 N 1.01 1.09 0.11 1.25 3.64 -0.74 -1.70 116.57 121.23 2ju5 h LYS 99 Ca 0.20 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.24 2ju5 h LYS 99 Cb 0.43 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2ju5 h LYS 99 CO 0.01 0.72 -1.30 0.00 -2.27 0.00 0.00 179.45 176.62 2ju5 h ALA 100 N 1.48 0.17 -0.24 5.00 0.00 -1.09 -0.53 119.26 124.05 2ju5 h ALA 100 Ca 0.32 -0.95 0.03 0.00 0.00 0.00 0.00 54.91 54.31 2ju5 h ALA 100 Cb -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ju5 h ALA 100 CO -0.08 1.05 0.06 0.37 0.00 0.00 0.00 179.25 180.65 2ju5 h GLN 101 N 0.07 0.16 -0.60 0.00 4.15 0.45 -2.15 115.11 117.18 2ju5 h GLN 101 Ca -0.15 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2ju5 h GLN 101 Cb 1.97 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.62 2ju5 h GLN 101 CO 0.19 0.10 0.00 0.66 -1.93 0.00 0.00 178.83 177.85 2ju5 n TYR 102 N -5.06 0.99 -3.84 3.99 4.01 -0.71 -4.93 117.16 111.60 2ju5 n TYR 102 Ca -0.02 -0.39 -0.25 0.00 -0.16 0.00 0.00 57.90 57.08 2ju5 n TYR 102 Cb 0.10 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.68 -3.60 -2.98 -0.72 5.02 -0.81 -4.91 118.16 110.83 2ju5 n LYS 103 Ca 0.17 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.53 2ju5 n LYS 103 Cb 0.63 -4.70 -0.05 0.00 -0.02 0.00 0.00 35.03 30.89 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 -3.82 4.94 -0.02 -0.18 1.01 -0.22 -4.90 120.40 117.22 2ju5 s VAL 104 Ca 0.05 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2ju5 s VAL 104 Cb -0.02 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2ju5 s VAL 104 CO 0.86 0.07 -0.02 0.35 0.00 0.00 0.00 175.10 176.36 2ju5 n THR 105 N 4.65 0.10 -4.10 3.92 -2.24 -1.26 -4.82 114.28 110.53 2ju5 n THR 105 Ca 0.02 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 2ju5 n THR 105 Cb 0.49 -1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 67.29 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 -4.89 2.00 0.11 3.38 0.00 -1.26 -5.13 107.32 101.53 2ju5 s GLY 106 Ca -0.03 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 43.84 2ju5 s GLY 106 CO 0.03 -0.87 -0.22 -1.36 0.00 0.00 0.00 173.10 170.69 2ju5 s PHE 107 N -1.26 1.91 0.32 1.90 0.40 -1.26 -3.93 117.98 116.06 2ju5 s PHE 107 Ca 0.25 -0.41 -0.27 0.00 -0.60 0.00 0.00 56.93 55.90 2ju5 s PHE 107 Cb -0.12 -1.04 -0.10 0.00 0.51 0.00 0.00 43.02 42.27 2ju5 s PHE 107 CO 0.17 0.24 0.98 -1.25 0.70 0.00 0.00 175.22 176.06 2ju5 s PRO 108 N -1.98 4.57 -0.06 0.24 0.04 -1.26 -4.74 135.00 131.81 2ju5 s PRO 108 Ca 0.09 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 2ju5 s PRO 108 Cb -0.10 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.58 2ju5 s PRO 108 CO 0.05 0.25 -0.03 -2.00 0.04 0.00 0.00 177.00 175.31 2ju5 s GLU 109 N -1.89 0.82 -0.21 4.56 2.12 -1.11 -3.64 118.70 119.35 2ju5 s GLU 109 Ca 0.49 -0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.76 2ju5 s GLU 109 Cb -0.22 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 2ju5 s GLU 109 CO 0.28 -0.19 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.56 2ju5 s LEU 110 N 1.45 2.78 -0.12 2.70 0.20 0.21 -2.28 118.68 123.62 2ju5 s LEU 110 Ca -0.03 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.39 2ju5 s LEU 110 Cb -0.13 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 2ju5 s LEU 110 CO -0.03 0.00 -0.17 0.68 -0.29 0.00 0.00 176.35 176.54 2ju5 s VAL 111 N 1.35 2.69 -0.24 1.68 -7.23 -1.21 -0.21 120.40 117.22 2ju5 s VAL 111 Ca 0.04 -0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2ju5 s VAL 111 Cb -0.14 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2ju5 s VAL 111 CO -0.04 0.54 0.20 -0.36 -0.31 0.00 0.00 175.10 175.13 2ju5 s PHE 112 N 0.33 3.31 0.14 2.82 0.08 0.15 -2.60 117.98 122.20 2ju5 s PHE 112 Ca -0.14 0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.23 2ju5 s PHE 112 Cb -0.17 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2ju5 s PHE 112 CO 0.07 0.01 -0.11 0.96 -0.10 0.00 0.00 175.22 176.05 2ju5 s ILE 113 N 1.24 1.21 0.62 0.64 -4.36 -0.72 -0.13 121.20 119.70 2ju5 s ILE 113 Ca 0.09 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2ju5 s ILE 113 Cb -0.14 -1.75 0.12 0.00 1.25 0.00 0.00 42.46 41.94 2ju5 s ILE 113 CO 0.06 -0.66 0.85 0.47 0.24 0.00 0.00 174.94 175.91 2ju5 n ASP 114 N 0.01 1.24 0.09 4.36 8.00 -0.06 0.19 116.55 130.37 2ju5 n ASP 114 Ca -0.12 -2.02 0.11 0.00 0.71 0.00 0.00 54.79 53.47 2ju5 n ASP 114 Cb 0.60 -0.54 0.44 0.00 -0.02 0.00 0.00 41.12 41.59 2ju5 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ju5 n ALA 115 N -2.87 1.71 1.11 2.24 0.00 -1.26 -1.83 120.51 119.61 2ju5 n ALA 115 Ca -0.14 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2ju5 n ALA 115 Cb 0.51 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.02 1.82 -0.60 0.00 1.02 -1.26 -4.78 120.64 114.82 2ju5 n GLU 116 Ca 0.03 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 2ju5 n GLU 116 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2ju5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ju5 n GLY 117 N 1.34 0.66 3.75 0.62 0.00 -0.76 -5.05 105.19 105.75 2ju5 n GLY 117 Ca 0.14 -0.32 -0.40 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 -0.79 4.67 -0.15 1.61 1.02 -1.26 -4.77 119.74 120.07 2ju5 s LYS 118 Ca 0.00 1.30 -0.25 0.00 0.02 0.00 0.00 55.97 57.04 2ju5 s LYS 118 Cb 0.00 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 2ju5 s LYS 118 CO 0.00 0.42 0.83 -1.14 -0.92 0.00 0.00 175.35 174.54 2ju5 s GLN 119 N -0.67 4.32 -0.12 1.68 0.74 -1.26 -0.88 119.66 123.46 2ju5 s GLN 119 Ca 0.40 1.04 0.18 0.00 0.05 0.00 0.00 55.36 57.03 2ju5 s GLN 119 Cb -0.23 -3.56 -0.25 0.00 1.10 0.00 0.00 33.01 30.07 2ju5 s GLN 119 CO 0.28 -0.28 0.29 1.28 -0.55 0.00 0.00 175.29 176.31 2ju5 n LEU 120 N 5.04 0.20 -3.60 3.68 7.99 0.81 -4.98 117.00 126.14 2ju5 n LEU 120 Ca 0.04 0.09 0.01 0.00 -0.01 0.00 0.00 56.01 56.14 2ju5 n LEU 120 Cb 0.49 0.33 -0.01 0.00 -0.11 0.00 0.00 43.42 44.12 2ju5 n LEU 120 CO 0.48 0.36 1.19 0.00 -1.51 0.00 0.00 177.39 177.92 2ju5 s ALA 121 N -2.72 -2.36 -0.08 -1.18 0.00 -1.18 -4.64 121.76 109.60 2ju5 s ALA 121 Ca -0.08 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 2ju5 s ALA 121 Cb 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2ju5 s ALA 121 CO 0.84 -0.83 0.29 -0.98 0.00 0.00 0.00 175.76 175.08 2ju5 s ARG 122 N -2.06 0.44 0.07 0.00 1.70 -1.26 0.29 118.95 118.13 2ju5 s ARG 122 Ca 0.13 0.19 -0.08 0.00 -0.47 0.00 0.00 55.73 55.51 2ju5 s ARG 122 Cb 0.04 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2ju5 s ARG 122 CO -0.05 -0.08 0.16 -1.64 -1.08 0.00 0.00 175.30 172.61 2ju5 s MET 123 N -0.34 0.78 0.00 3.89 -1.94 0.70 -5.00 119.30 117.38 2ju5 s MET 123 Ca -0.05 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 2ju5 s MET 123 Cb -0.03 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.12 2ju5 s MET 123 CO 0.01 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 2ju5 n GLY 124 N 0.11 5.13 3.71 -0.03 0.00 -1.26 0.65 105.19 113.50 2ju5 n GLY 124 Ca -0.16 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2ju5 n GLY 124 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ju5 s PHE 125 N 3.09 3.61 -0.06 1.61 5.36 -1.24 -4.86 117.98 125.49 2ju5 s PHE 125 Ca 0.00 1.52 -0.05 0.00 -0.96 0.00 0.00 56.93 57.44 2ju5 s PHE 125 Cb 0.00 -3.02 0.01 0.00 -0.34 0.00 0.00 43.02 39.68 2ju5 s PHE 125 CO 0.00 -0.01 0.15 -1.21 -1.46 0.00 0.00 175.22 172.70 2ju5 s GLU 126 N 1.07 0.18 0.63 10.12 2.02 -1.26 -5.09 118.70 126.38 2ju5 s GLU 126 Ca 0.46 0.20 -0.15 0.00 0.02 0.00 0.00 54.97 55.51 2ju5 s GLU 126 Cb -0.20 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.10 2ju5 s GLU 126 CO 0.23 -0.02 1.07 -1.25 0.02 0.00 0.00 175.26 175.31 2ju5 s PRO 127 N 0.06 3.11 0.00 0.39 0.04 -1.26 -4.46 135.00 132.88 2ju5 s PRO 127 Ca -0.00 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2ju5 s PRO 127 Cb -0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ju5 s PRO 127 CO 0.00 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2ju5 n GLY 128 N -1.04 1.64 0.00 0.56 0.00 -1.26 -4.93 105.19 100.16 2ju5 n GLY 128 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2ju5 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ju5 n GLY 129 N 0.00 0.03 0.26 -0.02 0.00 -1.26 -4.30 105.19 99.89 2ju5 n GLY 129 Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 1.00 -0.02 0.00 -1.87 -2.36 103.07 100.76 2ju5 h GLY 130 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2ju5 h GLY 130 CO 0.00 0.51 0.17 0.00 0.00 0.00 0.00 176.54 177.22 2ju5 h ALA 131 N 1.05 0.32 -0.70 3.60 0.00 -1.92 -2.25 119.26 119.36 2ju5 h ALA 131 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2ju5 h ALA 131 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ju5 h ALA 131 CO -0.01 -0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.24 2ju5 h ALA 132 N 1.09 1.04 -0.66 0.00 0.00 -1.73 -2.90 119.26 116.09 2ju5 h ALA 132 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2ju5 h ALA 132 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2ju5 h ALA 132 CO -0.02 0.64 0.31 -0.92 0.00 0.00 0.00 179.25 179.26 2ju5 h TYR 133 N 1.04 0.96 -0.31 0.00 5.03 -1.14 -2.81 116.97 119.73 2ju5 h TYR 133 Ca 0.22 -0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.39 2ju5 h TYR 133 Cb 0.32 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 2ju5 h TYR 133 CO 0.02 0.72 -0.21 -0.39 -1.32 0.00 0.00 178.16 176.98 2ju5 h VAL 134 N 0.91 1.26 -0.96 1.81 -1.51 -1.29 -2.53 116.25 113.94 2ju5 h VAL 134 Ca 0.23 -1.24 0.02 0.00 -1.23 0.00 0.00 66.70 64.48 2ju5 h VAL 134 Cb 0.13 1.25 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 2ju5 h VAL 134 CO -0.03 0.40 0.63 0.28 -1.23 0.00 0.00 177.57 177.63 2ju5 h SER 135 N 0.52 1.08 -0.52 4.19 0.02 -1.31 -1.81 113.55 115.72 2ju5 h SER 135 Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2ju5 h SER 135 Cb 0.65 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2ju5 h SER 135 CO 0.05 0.76 0.22 0.11 -1.14 0.00 0.00 176.83 176.82 2ju5 h LYS 136 N 1.26 0.78 -0.53 3.45 1.57 -1.28 -2.50 116.57 119.32 2ju5 h LYS 136 Ca 0.37 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 2ju5 h LYS 136 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2ju5 h LYS 136 CO -0.10 0.68 -0.06 -0.24 -0.57 0.00 0.00 179.45 179.16 2ju5 h VAL 137 N 0.71 1.26 -0.56 0.50 3.04 -1.10 -1.69 116.25 118.41 2ju5 h VAL 137 Ca 0.18 -1.17 0.01 0.00 -1.01 0.00 0.00 66.70 64.71 2ju5 h VAL 137 Cb 0.18 0.92 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 2ju5 h VAL 137 CO -0.02 0.41 0.36 0.11 -1.01 0.00 0.00 177.57 177.43 2ju5 h LYS 138 N 0.85 0.72 -0.52 4.17 1.57 -1.14 0.49 116.57 122.72 2ju5 h LYS 138 Ca 0.15 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2ju5 h LYS 138 Cb 0.58 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2ju5 h LYS 138 CO 0.04 0.47 -0.16 0.77 -0.57 0.00 0.00 179.45 180.00 2ju5 h SER 139 N 0.74 1.03 -0.71 0.86 0.02 -1.31 -0.75 113.55 113.43 2ju5 h SER 139 Ca 0.21 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2ju5 h SER 139 Cb -0.07 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 2ju5 h SER 139 CO -0.05 1.16 0.17 0.00 -1.14 0.00 0.00 176.83 176.97 2ju5 h ALA 140 N 0.91 0.93 -0.01 3.77 0.00 -0.83 -2.80 119.26 121.24 2ju5 h ALA 140 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ju5 h ALA 140 Cb 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ju5 h ALA 140 CO 0.06 0.66 -0.05 1.28 0.00 0.00 0.00 179.25 181.20 2ju5 n LEU 141 N -4.24 1.30 -3.30 0.00 4.32 0.12 -4.78 117.00 110.41 2ju5 n LEU 141 Ca 0.05 -0.41 -0.17 0.00 -0.02 0.00 0.00 56.01 55.46 2ju5 n LEU 141 Cb 0.26 -0.03 0.08 0.00 -1.62 0.00 0.00 43.42 42.12 2ju5 n LEU 141 CO 0.42 0.22 0.12 0.29 -1.22 0.00 0.00 177.39 177.22 2ju5 n LYS 142 N -0.07 -6.37 -3.62 3.23 4.76 -0.53 -4.99 118.16 110.57 2ju5 n LYS 142 Ca 0.18 0.80 -0.37 0.00 -2.87 0.00 0.00 58.31 56.05 2ju5 n LYS 142 Cb 0.34 -5.68 -0.09 0.00 -1.84 0.00 0.00 35.03 27.75 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 -6.19 4.11 0.00 -0.35 1.02 -0.40 -5.05 118.68 111.82 2ju5 s LEU 143 Ca 0.05 0.15 0.31 0.00 0.02 0.00 0.00 54.13 54.65 2ju5 s LEU 143 Cb -0.02 -2.16 1.60 0.00 0.02 0.00 0.00 46.19 45.63 2ju5 s LEU 143 CO 0.69 0.03 2.05 0.54 0.02 0.00 0.00 176.35 179.68