#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 0.71 -5.70 0.00 3.08 -2.09 -3.42 114.38 106.96 2ju5 h ARG 2 Ca 0.00 -0.11 -0.66 0.00 0.07 0.00 0.00 59.98 59.28 2ju5 h ARG 2 Cb 0.00 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 2ju5 h ARG 2 CO 0.00 0.60 -0.46 1.03 -1.07 0.00 0.00 179.97 180.07 2ju5 s ARG 3 N -5.69 3.48 0.27 0.04 0.52 -1.26 -5.07 118.95 111.23 2ju5 s ARG 3 Ca -0.13 -0.12 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 2ju5 s ARG 3 Cb 0.11 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 2ju5 s ARG 3 CO 0.76 0.75 1.13 0.50 0.02 0.00 0.00 175.30 178.46 2ju5 s ARG 4 N -1.20 4.60 0.29 3.54 3.52 -1.26 -4.84 118.95 123.60 2ju5 s ARG 4 Ca 0.18 1.84 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 2ju5 s ARG 4 Cb -0.12 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 2ju5 s ARG 4 CO 0.07 0.14 0.00 0.00 -0.81 0.00 0.00 175.30 174.70 2ju5 n ALA 5 N 1.36 -3.42 -1.77 6.12 0.00 -1.26 -4.74 120.51 116.80 2ju5 n ALA 5 Ca -0.00 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 2ju5 n ALA 5 Cb 0.45 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 2ju5 n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ju5 s SER 6 N -6.01 7.15 -0.15 0.00 0.01 -1.26 -4.97 113.70 108.47 2ju5 s SER 6 Ca 0.00 2.03 0.16 0.00 1.31 0.00 0.00 55.95 59.45 2ju5 s SER 6 Cb 0.00 -2.60 0.32 0.00 0.21 0.00 0.00 66.02 63.96 2ju5 s SER 6 CO 0.00 -0.21 1.17 0.61 0.41 0.00 0.00 173.24 175.22 2ju5 n GLY 7 N 0.74 4.74 3.73 3.44 0.00 -1.26 -5.06 105.19 111.51 2ju5 n GLY 7 Ca 0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2ju5 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ju5 n GLU 8 N -1.25 2.43 -0.16 1.61 1.02 -1.26 -4.88 120.64 118.15 2ju5 n GLU 8 Ca 0.16 0.86 0.11 0.00 -0.02 0.00 0.00 57.16 58.27 2ju5 n GLU 8 Cb 0.67 -2.56 0.28 0.00 -0.02 0.00 0.00 31.44 29.80 2ju5 n GLU 8 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ju5 n ASN 9 N 1.46 2.68 -0.24 1.62 3.02 -1.26 -4.22 115.26 118.32 2ju5 n ASN 9 Ca 0.07 -1.89 -0.08 0.00 -0.03 0.00 0.00 54.58 52.65 2ju5 n ASN 9 Cb 0.36 -0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 2ju5 n ASN 9 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2ju5 h LEU 10 N 3.42 1.02 -9.62 3.41 3.38 -2.04 -3.42 115.31 111.45 2ju5 h LEU 10 Ca 0.00 -0.23 -0.53 0.00 0.09 0.00 0.00 57.88 57.21 2ju5 h LEU 10 Cb 0.76 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.26 2ju5 h LEU 10 CO 0.00 0.98 0.64 -1.58 0.09 0.00 0.00 178.44 178.57 2ju5 s GLN 11 N -5.32 4.40 0.26 1.13 2.00 -1.26 -5.03 119.66 115.83 2ju5 s GLN 11 Ca -0.12 1.99 0.06 0.00 -2.00 0.00 0.00 55.36 55.30 2ju5 s GLN 11 Cb 0.14 -3.23 -0.03 0.00 0.80 0.00 0.00 33.01 30.69 2ju5 s GLN 11 CO 0.84 -0.26 0.28 -0.65 -0.50 0.00 0.00 175.29 174.99 2ju5 s GLN 12 N 0.26 3.07 0.36 1.67 -0.21 -1.26 -5.01 119.66 118.54 2ju5 s GLN 12 Ca 0.58 -0.99 0.07 0.00 0.02 0.00 0.00 55.36 55.04 2ju5 s GLN 12 Cb -0.35 -2.67 0.68 0.00 1.00 0.00 0.00 33.01 31.67 2ju5 s GLN 12 CO 0.35 0.35 1.88 1.79 -2.12 0.00 0.00 175.29 177.54 2ju5 h THR 13 N 1.32 1.20 -3.20 -0.19 1.35 -1.98 -3.47 112.91 107.94 2ju5 h THR 13 Ca -0.49 -0.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2ju5 h THR 13 Cb 1.24 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2ju5 h THR 13 CO 0.60 0.27 -0.01 -1.14 -0.25 0.00 0.00 175.52 174.99 2ju5 n ARG 14 N -4.26 -0.13 -1.73 4.72 3.00 -1.26 -5.05 116.66 111.96 2ju5 n ARG 14 Ca 0.00 0.50 -0.31 0.00 -0.00 0.00 0.00 57.85 58.04 2ju5 n ARG 14 Cb 0.28 -1.86 0.03 0.00 0.00 0.00 0.00 32.46 30.91 2ju5 n ARG 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2ju5 s PRO 15 N -3.02 3.16 0.15 -0.14 0.04 -1.26 -4.97 135.00 128.95 2ju5 s PRO 15 Ca 0.01 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 2ju5 s PRO 15 Cb -0.00 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2ju5 s PRO 15 CO 0.06 -0.93 1.67 0.82 0.04 0.00 0.00 177.00 178.67 2ju5 h ILE 16 N -0.41 1.23 -3.98 0.56 2.04 -2.06 -3.43 117.51 111.45 2ju5 h ILE 16 Ca -0.44 -0.78 -0.51 0.00 1.00 0.00 0.00 64.86 64.13 2ju5 h ILE 16 Cb 1.21 0.81 0.07 0.00 -0.74 0.00 0.00 36.82 38.17 2ju5 h ILE 16 CO 0.58 0.28 0.51 0.00 0.00 0.00 0.00 178.15 179.52 2ju5 s ALA 17 N -5.38 3.04 -0.03 1.87 0.00 -1.26 -5.04 121.76 114.95 2ju5 s ALA 17 Ca -0.13 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.57 2ju5 s ALA 17 Cb 0.11 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.88 2ju5 s ALA 17 CO 0.78 -0.69 0.56 0.00 0.00 0.00 0.00 175.76 176.41 2ju5 s ALA 18 N -1.47 -1.44 -0.33 0.00 0.00 -1.26 -5.10 121.76 112.16 2ju5 s ALA 18 Ca 0.62 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2ju5 s ALA 18 Cb -0.31 0.04 0.19 0.00 0.00 0.00 0.00 23.12 23.04 2ju5 s ALA 18 CO 0.38 -0.34 0.75 0.00 0.00 0.00 0.00 175.76 176.55 2ju5 s ALA 19 N -1.28 -2.99 0.26 0.00 0.00 -1.26 -5.16 121.76 111.32 2ju5 s ALA 19 Ca -0.12 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2ju5 s ALA 19 Cb -0.02 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 2ju5 s ALA 19 CO 0.08 -2.08 0.24 0.54 0.00 0.00 0.00 175.76 174.54 2ju5 s ASN 20 N 2.47 0.74 0.42 0.00 4.22 -1.26 -5.13 114.94 116.40 2ju5 s ASN 20 Ca 0.16 -1.50 -0.25 0.00 -2.14 0.00 0.00 52.86 49.14 2ju5 s ASN 20 Cb -0.05 0.48 -0.08 0.00 1.28 0.00 0.00 41.25 42.88 2ju5 s ASN 20 CO -0.19 -0.98 1.17 -0.22 -2.04 0.00 0.00 177.10 174.84 2ju5 s LEU 21 N -3.23 4.14 -0.43 3.54 2.96 -1.26 -5.00 118.68 119.40 2ju5 s LEU 21 Ca 0.38 2.34 -0.13 0.00 -0.22 0.00 0.00 54.13 56.49 2ju5 s LEU 21 Cb 0.04 -4.09 0.06 0.00 0.50 0.00 0.00 46.19 42.70 2ju5 s LEU 21 CO 0.18 -0.75 0.31 -1.10 -1.32 0.00 0.00 176.35 173.68 2ju5 s GLN 22 N -2.42 2.87 0.24 1.98 -0.21 -1.26 -5.07 119.66 115.79 2ju5 s GLN 22 Ca 0.59 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 2ju5 s GLN 22 Cb -0.30 -3.96 -0.09 0.00 1.00 0.00 0.00 33.01 29.66 2ju5 s GLN 22 CO 0.37 -0.90 0.94 -1.58 -2.12 0.00 0.00 175.29 172.01 2ju5 s TRP 23 N 1.59 3.98 0.31 0.91 0.51 -1.26 -4.50 118.94 120.47 2ju5 s TRP 23 Ca 0.04 1.91 0.08 0.00 -2.12 0.00 0.00 56.10 56.01 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 0.06 0.43 -0.07 -1.21 -0.51 0.00 0.00 176.95 175.66 2ju5 s GLU 24 N -1.19 1.67 0.68 4.98 2.02 -0.72 -5.05 118.70 121.10 2ju5 s GLU 24 Ca 0.41 -1.86 -0.11 0.00 0.02 0.00 0.00 54.97 53.43 2ju5 s GLU 24 Cb -0.26 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.60 2ju5 s GLU 24 CO 0.32 0.06 1.07 -1.54 0.02 0.00 0.00 175.26 175.19 2ju5 s SER 25 N -3.52 5.63 0.17 -0.19 1.04 -1.26 -4.37 113.70 111.19 2ju5 s SER 25 Ca 0.31 1.16 -0.13 0.00 0.48 0.00 0.00 55.95 57.77 2ju5 s SER 25 Cb 0.04 -2.03 0.06 0.00 0.10 0.00 0.00 66.02 64.19 2ju5 s SER 25 CO 0.14 -1.22 1.75 0.22 0.98 0.00 0.00 173.24 175.12 2ju5 h TYR 26 N -0.54 0.78 -0.37 5.02 3.20 -1.94 0.17 116.97 123.29 2ju5 h TYR 26 Ca -0.45 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.27 2ju5 h TYR 26 Cb 1.24 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2ju5 h TYR 26 CO 0.53 0.60 -0.24 0.00 -1.64 0.00 0.00 178.16 177.42 2ju5 h ALA 27 N 1.10 0.90 -0.34 1.82 0.00 -2.00 -2.86 119.26 117.88 2ju5 h ALA 27 Ca 0.19 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2ju5 h ALA 27 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ju5 h ALA 27 CO -0.02 0.62 -0.43 0.93 0.00 0.00 0.00 179.25 180.35 2ju5 h GLU 28 N 0.64 0.86 -0.39 0.00 5.08 -1.83 -2.45 114.58 116.49 2ju5 h GLU 28 Ca 0.09 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2ju5 h GLU 28 Cb 0.74 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2ju5 h GLU 28 CO 0.06 1.11 0.24 0.00 -1.00 0.00 0.00 179.01 179.42 2ju5 h ALA 29 N 0.81 0.49 -0.58 3.43 0.00 -0.55 -0.47 119.26 122.40 2ju5 h ALA 29 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2ju5 h ALA 29 Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2ju5 h ALA 29 CO 0.10 -0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.26 2ju5 h LEU 30 N 0.49 0.95 -0.51 0.00 3.38 -1.50 0.16 115.31 118.27 2ju5 h LEU 30 Ca 0.15 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2ju5 h LEU 30 Cb -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2ju5 h LEU 30 CO -0.05 0.99 0.27 -0.33 0.09 0.00 0.00 178.44 179.41 2ju5 h GLU 31 N 0.87 0.51 -0.33 1.13 5.08 -0.98 0.52 114.58 121.39 2ju5 h GLU 31 Ca 0.17 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2ju5 h GLU 31 Cb 0.47 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ju5 h GLU 31 CO 0.02 0.34 -0.13 0.45 -1.00 0.00 0.00 179.01 178.68 2ju5 h HIS 32 N 0.53 0.77 -0.52 4.33 3.86 -0.80 -3.10 115.15 120.22 2ju5 h HIS 32 Ca 0.22 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2ju5 h HIS 32 Cb 0.11 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2ju5 h HIS 32 CO -0.09 0.87 0.16 0.77 0.86 0.00 0.00 177.93 180.50 2ju5 h SER 33 N 0.44 0.71 -0.19 2.45 0.02 0.10 2.21 113.55 119.29 2ju5 h SER 33 Ca 0.08 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2ju5 h SER 33 Cb 0.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2ju5 h SER 33 CO 0.04 0.68 0.13 0.11 -1.14 0.00 0.00 176.83 176.66 2ju5 h LYS 34 N 0.75 0.00 0.01 3.45 1.57 0.09 1.53 116.57 123.97 2ju5 h LYS 34 Ca 0.17 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.55 2ju5 h LYS 34 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2ju5 h LYS 34 CO -0.01 0.00 -2.43 1.04 -0.57 0.00 0.00 179.45 177.48 2ju5 n GLN 35 N -4.48 0.64 0.05 3.15 6.02 -0.16 -4.60 117.38 118.00 2ju5 n GLN 35 Ca 0.01 0.21 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 2ju5 n GLN 35 Cb 0.27 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 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 -3.63 0.52 -0.20 1.08 8.00 0.73 -4.96 116.55 118.09 2ju5 n ASP 36 Ca -0.47 0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.14 2ju5 n ASP 36 Cb 0.95 1.03 -0.01 0.00 -0.02 0.00 0.00 41.12 43.07 2ju5 n ASP 36 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ju5 n HIS 37 N -2.43 0.00 -2.39 1.24 8.25 0.52 -4.96 115.22 115.44 2ju5 n HIS 37 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ju5 n HIS 37 Cb 0.54 -1.25 -0.03 0.00 1.12 0.00 0.00 29.99 30.38 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 -1.46 4.37 0.62 -0.41 1.02 -1.26 -4.86 119.74 117.76 2ju5 s LYS 38 Ca 0.00 1.77 -0.18 0.00 0.02 0.00 0.00 55.97 57.59 2ju5 s LYS 38 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2ju5 s LYS 38 CO 0.00 -0.40 0.93 -2.30 -0.92 0.00 0.00 175.35 172.66 2ju5 n PRO 39 N 4.72 0.80 -4.30 -1.68 -0.02 -1.26 -4.61 135.00 128.65 2ju5 n PRO 39 Ca 0.11 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2ju5 n PRO 39 Cb 0.46 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.56 3.97 -0.31 4.25 1.01 0.12 -1.74 121.20 126.93 2ju5 s ILE 40 Ca 0.76 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 2ju5 s ILE 40 Cb -0.41 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 2ju5 s ILE 40 CO 0.47 0.48 0.14 -0.83 0.00 0.00 0.00 174.94 175.19 2ju5 s GLY 41 N 0.50 1.85 -0.25 6.18 0.00 0.29 -1.65 107.32 114.23 2ju5 s GLY 41 Ca -0.02 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.15 2ju5 s GLY 41 CO 0.02 0.69 0.27 1.08 0.00 0.00 0.00 173.10 175.17 2ju5 s LEU 42 N 1.58 4.08 -0.52 0.66 1.02 -0.98 -0.61 118.68 123.91 2ju5 s LEU 42 Ca 0.04 0.21 -0.19 0.00 0.02 0.00 0.00 54.13 54.21 2ju5 s LEU 42 Cb -0.17 -2.28 0.06 0.00 0.02 0.00 0.00 46.19 43.82 2ju5 s LEU 42 CO 0.05 -0.06 0.65 0.12 0.02 0.00 0.00 176.35 177.13 2ju5 s PHE 43 N 1.55 3.03 -0.25 0.29 5.36 0.11 -2.97 117.98 125.09 2ju5 s PHE 43 Ca 0.12 -0.58 -0.17 0.00 -0.96 0.00 0.00 56.93 55.34 2ju5 s PHE 43 Cb -0.15 -3.62 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 2ju5 s PHE 43 CO 0.08 -1.08 0.46 -0.06 -1.46 0.00 0.00 175.22 173.16 2ju5 s PHE 44 N 2.68 3.28 0.25 10.12 0.08 -0.88 -0.84 117.98 132.68 2ju5 s PHE 44 Ca 0.15 0.57 -0.06 0.00 0.12 0.00 0.00 56.93 57.72 2ju5 s PHE 44 Cb -0.20 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2ju5 s PHE 44 CO 0.11 -0.23 0.44 0.25 -0.10 0.00 0.00 175.22 175.69 2ju5 n THR 45 N 5.03 0.00 -3.66 0.64 -2.24 -0.80 -2.66 114.28 110.60 2ju5 n THR 45 Ca -0.06 -0.92 -0.29 0.00 -2.27 0.00 0.00 64.05 60.52 2ju5 n THR 45 Cb 0.50 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.43 1.66 0.40 3.38 0.00 -1.26 0.47 107.32 109.54 2ju5 s GLY 46 Ca 0.15 -2.64 0.15 0.00 0.00 0.00 0.00 44.72 42.38 2ju5 s GLY 46 CO 0.11 1.64 1.86 1.76 0.00 0.00 0.00 173.10 178.46 2ju5 h SER 47 N 6.44 0.47 -0.02 1.64 0.02 -1.88 -1.94 113.55 118.29 2ju5 h SER 47 Ca 0.06 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ju5 h SER 47 Cb 0.91 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2ju5 h SER 47 CO 0.47 0.20 -0.21 0.47 -1.14 0.00 0.00 176.83 176.62 2ju5 n ASP 48 N -4.54 2.12 0.00 3.07 8.00 -1.26 -4.76 116.55 119.18 2ju5 n ASP 48 Ca 0.19 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.13 2ju5 n ASP 48 Cb 0.64 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 2ju5 n ASP 48 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ju5 n TRP 49 N 0.43 0.00 -3.52 1.24 4.27 -1.07 -4.86 117.44 113.93 2ju5 n TRP 49 Ca 0.09 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.28 2ju5 n TRP 49 Cb 0.42 0.00 -0.10 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 h MET 51 N 8.55 0.68 -0.09 0.00 4.05 -1.95 -2.20 114.93 123.97 2ju5 h MET 51 Ca -0.26 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.00 2ju5 h MET 51 Cb 1.11 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2ju5 h MET 51 CO 0.75 0.73 0.07 -1.49 0.23 0.00 0.00 176.91 177.19 2ju5 h TRP 52 N 0.63 0.00 -0.42 1.39 6.55 -1.93 0.24 115.95 122.41 2ju5 h TRP 52 Ca 0.12 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.87 2ju5 h TRP 52 Cb 0.46 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 2ju5 h TRP 52 CO 0.02 0.00 -0.11 0.00 -1.05 0.00 0.00 178.44 177.30 2ju5 h ILE 54 N 0.65 1.11 -0.32 0.00 2.04 -0.95 0.10 117.51 120.14 2ju5 h ILE 54 Ca 0.11 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2ju5 h ILE 54 Cb 0.64 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2ju5 h ILE 54 CO 0.04 0.11 0.14 0.11 0.00 0.00 0.00 178.15 178.55 2ju5 h LYS 55 N 0.39 0.29 -0.50 2.37 1.79 -0.96 2.29 116.57 122.25 2ju5 h LYS 55 Ca 0.11 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2ju5 h LYS 55 Cb 0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2ju5 h LYS 55 CO -0.02 0.19 0.21 1.98 -1.08 0.00 0.00 179.45 180.72 2ju5 h MET 56 N 0.29 0.74 -0.12 3.15 4.05 -0.84 0.50 114.93 122.70 2ju5 h MET 56 Ca 0.14 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2ju5 h MET 56 Cb 0.08 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2ju5 h MET 56 CO -0.12 0.65 -0.04 0.37 0.23 0.00 0.00 176.91 178.01 2ju5 h GLN 57 N 0.66 0.24 -0.29 0.39 4.15 -0.24 0.27 115.11 120.29 2ju5 h GLN 57 Ca 0.17 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 2ju5 h GLN 57 Cb 0.19 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2ju5 h GLN 57 CO -0.01 0.55 -0.39 0.22 -1.93 0.00 0.00 178.83 177.26 2ju5 h ASP 58 N -0.08 0.73 0.52 -0.69 1.82 0.40 -0.98 116.42 118.14 2ju5 h ASP 58 Ca 0.03 -0.32 -0.19 0.00 -0.39 0.00 0.00 57.03 56.16 2ju5 h ASP 58 Cb 0.46 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 2ju5 h ASP 58 CO 0.01 1.03 -1.63 0.00 -1.61 0.00 0.00 179.24 177.05 2ju5 n GLN 59 N -4.04 0.63 -0.01 0.28 6.02 0.17 -4.45 117.38 115.99 2ju5 n GLN 59 Ca -0.02 0.16 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 2ju5 n GLN 59 Cb 0.52 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.82 0.98 -0.34 5.09 5.41 0.90 -3.75 119.36 124.83 2ju5 n ILE 60 Ca -0.13 0.17 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 2ju5 n ILE 60 Cb 0.88 -1.73 0.09 0.00 -0.71 0.00 0.00 39.64 38.17 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 -0.28 1.08 -0.92 1.39 -0.00 -1.31 -2.20 115.31 113.06 2ju5 h LEU 61 Ca -0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2ju5 h LEU 61 Cb 0.62 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2ju5 h LEU 61 CO -0.05 0.82 0.00 0.00 -0.00 0.00 0.00 178.44 179.22 2ju5 n GLN 62 N -4.40 1.62 -2.62 1.13 6.02 -0.39 -4.30 117.38 114.44 2ju5 n GLN 62 Ca 0.10 -0.91 -0.33 0.00 -0.01 0.00 0.00 57.00 55.84 2ju5 n GLN 62 Cb 0.05 -1.41 -0.05 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 -1.71 6.69 0.17 1.08 0.15 -0.83 -4.93 113.70 114.32 2ju5 s SER 63 Ca 0.34 1.71 -0.14 0.00 0.70 0.00 0.00 55.95 58.56 2ju5 s SER 63 Cb 0.18 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.05 2ju5 s SER 63 CO 0.28 -0.54 1.81 -1.28 1.20 0.00 0.00 173.24 174.71 2ju5 h SER 64 N 1.51 0.47 -0.49 5.45 0.87 -1.91 -1.70 113.55 117.76 2ju5 h SER 64 Ca -0.48 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 2ju5 h SER 64 Cb 1.19 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2ju5 h SER 64 CO 0.61 0.34 0.24 -0.33 -0.53 0.00 0.00 176.83 177.15 2ju5 h GLU 65 N 0.59 0.71 -0.37 2.24 3.07 -1.91 -1.52 114.58 117.39 2ju5 h GLU 65 Ca 0.20 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 2ju5 h GLU 65 Cb 0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2ju5 h GLU 65 CO -0.10 0.59 0.07 0.35 -1.40 0.00 0.00 179.01 178.53 2ju5 h PHE 66 N 0.65 0.64 -0.56 4.33 3.04 -1.72 -1.22 116.94 122.09 2ju5 h PHE 66 Ca 0.17 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 2ju5 h PHE 66 Cb 0.12 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 2ju5 h PHE 66 CO -0.01 0.65 0.27 0.87 -2.02 0.00 0.00 178.31 178.07 2ju5 h LYS 67 N 0.45 0.81 -0.23 1.11 1.57 -1.19 0.18 116.57 119.27 2ju5 h LYS 67 Ca 0.11 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2ju5 h LYS 67 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2ju5 h LYS 67 CO 0.01 0.67 0.00 1.25 -0.57 0.00 0.00 179.45 180.80 2ju5 h HIS 68 N 0.76 0.45 -0.06 -1.35 2.76 -1.20 0.08 115.15 116.59 2ju5 h HIS 68 Ca 0.19 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2ju5 h HIS 68 Cb 0.13 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2ju5 h HIS 68 CO -0.00 0.58 0.03 0.35 -1.30 0.00 0.00 177.93 177.59 2ju5 h PHE 69 N 0.18 0.07 -0.33 5.26 3.57 -1.02 -2.66 116.94 122.02 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 0.40 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2ju5 h PHE 69 CO 0.03 0.11 -0.21 0.00 -2.23 0.00 0.00 178.31 176.02 2ju5 h ALA 70 N 0.96 1.03 -0.42 2.41 0.00 -0.61 0.18 119.26 122.81 2ju5 h ALA 70 Ca 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2ju5 h ALA 70 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ju5 h ALA 70 CO -0.00 0.58 -0.02 0.78 0.00 0.00 0.00 179.25 180.59 2ju5 h GLY 71 N 0.99 0.73 0.58 0.00 0.00 -0.87 0.11 103.07 104.60 2ju5 h GLY 71 Ca 0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 47.33 46.65 2ju5 h GLY 71 CO 0.05 0.44 -1.46 -2.08 0.00 0.00 0.00 176.54 173.48 2ju5 h VAL 72 N 0.64 1.00 -0.01 4.60 2.07 -1.29 -3.42 116.25 119.85 2ju5 h VAL 72 Ca 0.13 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2ju5 h VAL 72 Cb 0.42 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2ju5 h VAL 72 CO 0.02 0.72 -0.38 1.41 0.02 0.00 0.00 177.57 179.36 2ju5 n HIS 73 N -3.88 0.00 -4.19 1.57 -0.00 0.61 -5.07 115.22 104.25 2ju5 n HIS 73 Ca -0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.35 2ju5 n HIS 73 Cb 0.92 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.81 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 -2.08 1.57 -0.18 2.41 1.02 0.37 -4.23 118.68 117.56 2ju5 s LEU 74 Ca 0.09 -1.29 -0.02 0.00 0.02 0.00 0.00 54.13 52.93 2ju5 s LEU 74 Cb 0.10 0.27 -0.01 0.00 0.02 0.00 0.00 46.19 46.57 2ju5 s LEU 74 CO 0.39 -0.75 -0.10 -1.00 0.02 0.00 0.00 176.35 174.90 2ju5 s HIS 75 N -4.03 2.87 -0.11 0.29 3.76 -0.71 -4.52 115.29 112.84 2ju5 s HIS 75 Ca 0.31 -0.92 -0.04 0.00 -0.15 0.00 0.00 55.06 54.26 2ju5 s HIS 75 Cb 0.07 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2ju5 s HIS 75 CO 0.07 -0.45 0.04 1.41 -0.85 0.00 0.00 174.74 174.96 2ju5 s MET 76 N 0.98 3.30 -0.07 1.40 1.75 -1.26 -0.55 119.30 124.84 2ju5 s MET 76 Ca -0.01 -0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.12 2ju5 s MET 76 Cb -0.15 -2.96 0.01 0.00 2.84 0.00 0.00 34.83 34.57 2ju5 s MET 76 CO -0.01 0.62 -0.15 0.08 -0.65 0.00 0.00 175.02 174.91 2ju5 s VAL 77 N -0.63 1.36 -0.20 10.11 1.01 0.22 -1.75 120.40 130.52 2ju5 s VAL 77 Ca 0.11 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2ju5 s VAL 77 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2ju5 s VAL 77 CO 0.02 0.40 0.33 -0.70 0.00 0.00 0.00 175.10 175.16 2ju5 s GLU 78 N 0.54 4.17 -0.34 2.72 2.12 -1.26 -0.72 118.70 125.92 2ju5 s GLU 78 Ca -0.15 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 2ju5 s GLU 78 Cb -0.16 -3.52 0.11 0.00 0.26 0.00 0.00 34.13 30.82 2ju5 s GLU 78 CO 0.05 0.03 0.14 0.08 -0.54 0.00 0.00 175.26 175.02 2ju5 s VAL 79 N 1.11 0.96 0.08 3.70 1.01 -0.02 -4.91 120.40 122.33 2ju5 s VAL 79 Ca 0.16 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 60.50 2ju5 s VAL 79 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2ju5 s VAL 79 CO 0.06 -0.75 -0.00 -1.81 0.00 0.00 0.00 175.10 172.61 2ju5 s ASP 80 N 1.29 5.02 -0.59 3.32 1.01 -1.26 -1.89 116.67 123.56 2ju5 s ASP 80 Ca 0.12 -0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.27 2ju5 s ASP 80 Cb -0.19 -1.20 0.20 0.00 1.01 0.00 0.00 42.92 42.73 2ju5 s ASP 80 CO -0.18 0.18 0.53 0.49 0.21 0.00 0.00 175.17 176.41 2ju5 n PHE 81 N 0.63 2.10 -1.58 4.23 3.72 0.18 -4.93 117.46 121.81 2ju5 n PHE 81 Ca -0.11 -3.99 -0.30 0.00 -0.05 0.00 0.00 57.45 53.00 2ju5 n PHE 81 Cb 0.52 -0.40 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 2ju5 n PHE 81 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ju5 s PRO 82 N -1.40 2.56 0.09 -1.08 0.04 -1.26 -4.44 135.00 129.50 2ju5 s PRO 82 Ca 0.32 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 2ju5 s PRO 82 Cb 0.05 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2ju5 s PRO 82 CO -0.13 -1.33 1.21 1.96 0.04 0.00 0.00 177.00 178.76 2ju5 h GLN 83 N -0.88 0.66 -3.87 4.56 1.08 -1.95 -3.37 115.11 111.34 2ju5 h GLN 83 Ca -0.45 -0.70 -0.77 0.00 -1.45 0.00 0.00 58.65 55.27 2ju5 h GLN 83 Cb 1.24 0.20 -0.27 0.00 -0.05 0.00 0.00 27.48 28.60 2ju5 h GLN 83 CO 0.58 1.29 -0.04 0.21 -0.95 0.00 0.00 178.83 179.92 2ju5 s LYS 84 N -3.32 3.30 -0.24 1.46 2.47 -1.26 -5.03 119.74 117.13 2ju5 s LYS 84 Ca -0.09 -2.31 -0.28 0.00 -1.56 0.00 0.00 55.97 51.74 2ju5 s LYS 84 Cb 0.07 -4.29 0.01 0.00 -1.46 0.00 0.00 37.83 32.16 2ju5 s LYS 84 CO 0.91 -1.28 0.97 -0.80 0.16 0.00 0.00 175.35 175.32 2ju5 s ASN 85 N 2.24 7.01 -0.05 1.43 0.01 -1.26 -4.88 114.94 119.44 2ju5 s ASN 85 Ca 0.15 1.26 0.07 0.00 -0.71 0.00 0.00 52.86 53.63 2ju5 s ASN 85 Cb -0.16 -2.51 0.10 0.00 0.41 0.00 0.00 41.25 39.10 2ju5 s ASN 85 CO -0.06 -0.62 0.99 1.41 -1.51 0.00 0.00 177.10 177.31 2ju5 n HIS 86 N 6.22 0.00 -3.04 2.20 8.25 -1.26 -5.06 115.22 122.54 2ju5 n HIS 86 Ca 0.10 -0.57 -0.29 0.00 -0.26 0.00 0.00 57.72 56.70 2ju5 n HIS 86 Cb 0.47 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 2ju5 n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2ju5 s GLN 87 N -1.45 3.70 0.69 -0.41 1.11 -1.26 -5.07 119.66 116.98 2ju5 s GLN 87 Ca 0.11 0.26 -0.14 0.00 0.01 0.00 0.00 55.36 55.60 2ju5 s GLN 87 Cb 0.10 -2.49 0.02 0.00 -1.01 0.00 0.00 33.01 29.63 2ju5 s GLN 87 CO 0.01 0.05 1.13 -1.25 0.01 0.00 0.00 175.29 175.24 2ju5 s PRO 88 N -3.80 2.56 0.20 2.91 0.04 -1.26 -4.79 135.00 130.86 2ju5 s PRO 88 Ca 0.48 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 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 0.32 -1.45 1.75 0.93 0.04 0.00 0.00 177.00 178.58 2ju5 h GLU 89 N -0.20 0.40 -0.83 4.56 4.39 -1.98 -0.62 114.58 120.30 2ju5 h GLU 89 Ca -0.47 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.23 2ju5 h GLU 89 Cb 1.26 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2ju5 h GLU 89 CO 0.52 0.27 0.55 0.93 -1.16 0.00 0.00 179.01 180.12 2ju5 h GLU 90 N 0.41 1.05 -0.32 2.33 4.39 -1.99 0.13 114.58 120.58 2ju5 h GLU 90 Ca 0.29 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 2ju5 h GLU 90 Cb 0.34 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2ju5 h GLU 90 CO -0.28 0.70 -0.47 0.37 -1.16 0.00 0.00 179.01 178.16 2ju5 h GLN 91 N 1.08 0.88 -0.51 2.33 4.15 -1.73 -2.02 115.11 119.30 2ju5 h GLN 91 Ca 0.32 -0.51 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 2ju5 h GLN 91 Cb -0.06 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2ju5 h GLN 91 CO -0.08 1.15 0.11 0.00 -1.93 0.00 0.00 178.83 178.08 2ju5 h ARG 92 N 0.69 0.82 -0.37 1.69 3.08 -0.32 -1.08 114.38 118.90 2ju5 h ARG 92 Ca 0.04 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2ju5 h ARG 92 Cb 1.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2ju5 h ARG 92 CO 0.11 0.80 0.15 1.96 -1.07 0.00 0.00 179.97 181.91 2ju5 h GLN 93 N 0.71 0.56 -0.55 0.04 4.20 -0.71 -1.59 115.11 117.76 2ju5 h GLN 93 Ca 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2ju5 h GLN 93 Cb 0.35 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2ju5 h GLN 93 CO 0.00 0.54 0.32 -0.22 -0.67 0.00 0.00 178.83 178.81 2ju5 h LYS 94 N 0.46 0.75 -0.82 1.46 3.64 -1.23 -1.32 116.57 119.51 2ju5 h LYS 94 Ca 0.12 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2ju5 h LYS 94 Cb 0.20 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2ju5 h LYS 94 CO -0.01 0.56 0.48 -0.91 -2.27 0.00 0.00 179.45 177.30 2ju5 h ASN 95 N 0.74 0.99 -0.58 4.20 -0.26 -1.00 -1.14 115.58 118.52 2ju5 h ASN 95 Ca 0.20 -0.07 -0.09 0.00 -0.56 0.00 0.00 56.30 55.77 2ju5 h ASN 95 Cb 0.01 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 2ju5 h ASN 95 CO -0.03 0.77 0.01 1.56 -1.06 0.00 0.00 177.43 178.68 2ju5 h GLN 96 N 1.12 1.02 -0.59 0.81 4.20 -0.93 -0.55 115.11 120.20 2ju5 h GLN 96 Ca 0.29 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2ju5 h GLN 96 Cb -0.03 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2ju5 h GLN 96 CO -0.05 1.01 0.25 0.93 -0.67 0.00 0.00 178.83 180.29 2ju5 h GLU 97 N 0.92 0.87 -0.57 1.46 5.08 -0.83 -1.89 114.58 119.62 2ju5 h GLU 97 Ca 0.17 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2ju5 h GLU 97 Cb 0.54 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ju5 h GLU 97 CO 0.03 0.73 0.02 -0.07 -1.00 0.00 0.00 179.01 178.73 2ju5 h LEU 98 N 0.81 0.93 -1.19 1.33 4.07 -1.06 0.77 115.31 120.96 2ju5 h LEU 98 Ca 0.20 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.93 2ju5 h LEU 98 Cb 0.18 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 2ju5 h LEU 98 CO -0.02 0.97 0.53 0.50 -1.08 0.00 0.00 178.44 179.34 2ju5 h LYS 99 N 0.89 1.07 0.16 1.13 3.64 -0.68 0.03 116.57 122.81 2ju5 h LYS 99 Ca 0.17 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 59.16 2ju5 h LYS 99 Cb 0.49 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2ju5 h LYS 99 CO 0.02 0.72 -1.54 0.00 -2.27 0.00 0.00 179.45 176.38 2ju5 h ALA 100 N 1.48 0.14 -0.71 5.00 0.00 -0.83 0.26 119.26 124.60 2ju5 h ALA 100 Ca 0.30 -1.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 2ju5 h ALA 100 Cb -0.11 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ju5 h ALA 100 CO -0.06 1.01 0.17 0.37 0.00 0.00 0.00 179.25 180.74 2ju5 h GLN 101 N 0.09 1.14 -0.12 0.00 4.15 0.88 -2.29 115.11 118.95 2ju5 h GLN 101 Ca -0.26 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2ju5 h GLN 101 Cb 2.06 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.60 2ju5 h GLN 101 CO 0.19 1.00 0.00 0.66 -1.93 0.00 0.00 178.83 178.75 2ju5 n TYR 102 N -4.24 0.15 -3.69 3.99 4.02 -0.03 -4.92 117.16 112.44 2ju5 n TYR 102 Ca 0.05 -0.08 -0.23 0.00 -0.01 0.00 0.00 57.90 57.63 2ju5 n TYR 102 Cb 0.26 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.63 2ju5 n TYR 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ju5 n LYS 103 N 0.16 -6.00 -3.14 -0.72 5.02 -0.86 -4.94 118.16 107.67 2ju5 n LYS 103 Ca 0.16 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.76 2ju5 n LYS 103 Cb 0.30 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 29.73 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 -3.45 5.06 0.00 -0.18 1.01 0.89 -4.91 120.40 118.83 2ju5 s VAL 104 Ca 0.29 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2ju5 s VAL 104 Cb -0.14 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2ju5 s VAL 104 CO 0.79 0.19 0.00 0.35 0.00 0.00 0.00 175.10 176.42 2ju5 n THR 105 N 4.28 0.04 -3.98 3.92 -2.24 -1.26 -4.73 114.28 110.30 2ju5 n THR 105 Ca -0.03 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2ju5 n THR 105 Cb 0.50 -1.39 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 2ju5 n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ju5 s GLY 106 N -4.96 2.01 0.15 3.38 0.00 -1.26 -5.12 107.32 101.51 2ju5 s GLY 106 Ca 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 44.72 43.84 2ju5 s GLY 106 CO 0.00 -0.95 -0.19 -0.11 0.00 0.00 0.00 173.10 171.85 2ju5 s PHE 107 N -1.53 1.84 0.29 1.90 -0.12 -1.26 -4.15 117.98 114.95 2ju5 s PHE 107 Ca 0.33 -0.45 -0.21 0.00 -0.05 0.00 0.00 56.93 56.55 2ju5 s PHE 107 Cb -0.12 -0.94 -0.09 0.00 -0.63 0.00 0.00 43.02 41.24 2ju5 s PHE 107 CO 0.26 0.31 0.81 -1.25 -0.05 0.00 0.00 175.22 175.30 2ju5 s PRO 108 N -2.60 4.28 -0.03 1.99 0.04 -1.26 -4.81 135.00 132.61 2ju5 s PRO 108 Ca 0.14 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 2ju5 s PRO 108 Cb -0.07 -2.68 0.03 0.00 0.04 0.00 0.00 34.50 31.82 2ju5 s PRO 108 CO 0.06 0.26 0.02 -1.21 0.04 0.00 0.00 177.00 176.17 2ju5 s GLU 109 N -2.35 0.18 -0.21 4.56 2.02 -1.09 -3.86 118.70 117.95 2ju5 s GLU 109 Ca 0.49 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 2ju5 s GLU 109 Cb -0.15 -0.48 -0.01 0.00 0.10 0.00 0.00 34.13 33.59 2ju5 s GLU 109 CO 0.20 -0.19 -0.05 -1.17 0.02 0.00 0.00 175.26 174.06 2ju5 s LEU 110 N 1.33 2.88 -0.11 1.80 0.20 0.18 -2.07 118.68 122.89 2ju5 s LEU 110 Ca -0.06 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.40 2ju5 s LEU 110 Cb -0.13 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2ju5 s LEU 110 CO -0.03 0.01 -0.17 0.68 -0.29 0.00 0.00 176.35 176.55 2ju5 s VAL 111 N 1.31 2.69 -0.22 1.68 -7.23 -1.16 -0.39 120.40 117.08 2ju5 s VAL 111 Ca 0.04 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 2ju5 s VAL 111 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2ju5 s VAL 111 CO -0.02 0.54 0.14 -0.36 -0.31 0.00 0.00 175.10 175.09 2ju5 s PHE 112 N 0.28 3.34 0.12 2.82 0.08 0.78 -2.31 117.98 123.09 2ju5 s PHE 112 Ca -0.12 0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2ju5 s PHE 112 Cb -0.16 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2ju5 s PHE 112 CO 0.07 0.14 -0.10 0.96 -0.10 0.00 0.00 175.22 176.19 2ju5 s ILE 113 N 0.78 1.03 0.79 0.64 -4.36 -0.66 -0.71 121.20 118.71 2ju5 s ILE 113 Ca 0.07 -1.81 -0.04 0.00 -0.26 0.00 0.00 60.65 58.62 2ju5 s ILE 113 Cb -0.13 -1.56 0.16 0.00 1.25 0.00 0.00 42.46 42.18 2ju5 s ILE 113 CO 0.02 -0.63 1.09 -1.81 0.24 0.00 0.00 174.94 173.84 2ju5 s ASP 114 N -2.73 3.94 0.14 4.36 1.01 -0.19 0.13 116.67 123.34 2ju5 s ASP 114 Ca 0.10 -0.36 0.18 0.00 0.71 0.00 0.00 52.55 53.18 2ju5 s ASP 114 Cb -0.01 0.14 0.78 0.00 1.01 0.00 0.00 42.92 44.85 2ju5 s ASP 114 CO 0.00 -2.15 1.56 0.00 0.21 0.00 0.00 175.17 174.79 2ju5 n ALA 115 N -3.08 1.56 1.16 5.23 0.00 -1.26 -1.37 120.51 122.75 2ju5 n ALA 115 Ca 0.17 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.77 2ju5 n ALA 115 Cb 0.60 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.90 2.11 -0.70 0.00 1.02 -1.26 -4.78 120.64 115.13 2ju5 n GLU 116 Ca 0.02 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 2ju5 n GLU 116 Cb 0.17 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.30 0.61 3.78 0.62 0.00 -0.47 -5.04 105.19 105.98 2ju5 n GLY 117 Ca 0.16 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.83 4.51 -0.14 1.61 1.02 -1.26 -4.78 119.74 119.87 2ju5 s LYS 118 Ca 0.00 1.08 -0.27 0.00 0.02 0.00 0.00 55.97 56.80 2ju5 s LYS 118 Cb 0.00 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2ju5 s LYS 118 CO 0.00 0.53 0.90 -1.14 -0.92 0.00 0.00 175.35 174.72 2ju5 s GLN 119 N -0.95 4.35 -0.18 1.68 0.74 -1.26 -1.02 119.66 123.02 2ju5 s GLN 119 Ca 0.35 1.17 0.17 0.00 0.05 0.00 0.00 55.36 57.10 2ju5 s GLN 119 Cb -0.22 -3.56 -0.25 0.00 1.10 0.00 0.00 33.01 30.08 2ju5 s GLN 119 CO 0.25 -0.32 0.14 1.28 -0.55 0.00 0.00 175.29 176.09 2ju5 n LEU 120 N 5.14 0.14 -3.61 3.68 4.32 0.11 -4.99 117.00 121.79 2ju5 n LEU 120 Ca 0.06 0.05 -0.02 0.00 -0.02 0.00 0.00 56.01 56.09 2ju5 n LEU 120 Cb 0.49 0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 42.72 2ju5 n LEU 120 CO 0.50 0.49 1.06 0.00 -1.22 0.00 0.00 177.39 178.22 2ju5 s ALA 121 N -2.50 -2.17 -0.09 -1.18 0.00 -1.21 -4.64 121.76 109.96 2ju5 s ALA 121 Ca -0.10 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 2ju5 s ALA 121 Cb 0.06 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.25 2ju5 s ALA 121 CO 0.83 -0.78 0.31 -0.98 0.00 0.00 0.00 175.76 175.13 2ju5 s ARG 122 N -2.35 0.45 0.07 0.00 1.70 -1.26 -0.15 118.95 117.40 2ju5 s ARG 122 Ca 0.12 0.25 -0.07 0.00 -0.47 0.00 0.00 55.73 55.56 2ju5 s ARG 122 Cb 0.02 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 2ju5 s ARG 122 CO -0.04 -0.08 0.13 -1.64 -1.08 0.00 0.00 175.30 172.59 2ju5 s MET 123 N -0.26 0.75 0.00 3.89 -1.94 0.47 -5.00 119.30 117.22 2ju5 s MET 123 Ca -0.04 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 2ju5 s MET 123 Cb -0.03 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2ju5 s MET 123 CO 0.01 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 2ju5 n GLY 124 N 0.14 4.95 3.72 -0.03 0.00 -1.26 0.50 105.19 113.22 2ju5 n GLY 124 Ca -0.16 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 2.13 3.60 -0.14 1.61 5.36 -1.25 -4.88 117.98 124.41 2ju5 s PHE 125 Ca 0.00 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 2ju5 s PHE 125 Cb 0.00 -3.25 0.07 0.00 -0.34 0.00 0.00 43.02 39.50 2ju5 s PHE 125 CO 0.00 -0.55 0.23 -1.21 -1.46 0.00 0.00 175.22 172.23 2ju5 s GLU 126 N 0.36 0.14 0.92 10.12 2.02 -1.26 -5.11 118.70 125.89 2ju5 s GLU 126 Ca 0.52 0.53 -0.12 0.00 0.02 0.00 0.00 54.97 55.92 2ju5 s GLU 126 Cb -0.27 -0.46 0.07 0.00 0.10 0.00 0.00 34.13 33.57 2ju5 s GLU 126 CO 0.31 -0.41 0.70 -2.30 0.02 0.00 0.00 175.26 173.58 2ju5 n PRO 127 N 5.34 -0.28 0.00 0.39 -0.02 -1.26 -4.31 135.00 134.85 2ju5 n PRO 127 Ca -0.05 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2ju5 n PRO 127 Cb 0.50 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.05 1.60 0.00 -1.23 0.00 -1.26 -4.96 105.19 100.40 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 -0.21 0.26 -0.02 0.00 -1.26 -4.34 105.19 99.62 2ju5 n GLY 129 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 0.95 0.94 -0.02 0.00 -1.88 -2.60 103.07 100.46 2ju5 h GLY 130 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.68 2ju5 h GLY 130 CO 0.00 0.61 0.21 0.00 0.00 0.00 0.00 176.54 177.36 2ju5 h ALA 131 N 0.97 0.43 -0.66 3.60 0.00 -1.93 -2.15 119.26 119.51 2ju5 h ALA 131 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2ju5 h ALA 131 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2ju5 h ALA 131 CO 0.02 -0.14 0.15 0.00 0.00 0.00 0.00 179.25 179.27 2ju5 h ALA 132 N 1.15 1.00 -0.64 0.00 0.00 -1.75 -2.84 119.26 116.19 2ju5 h ALA 132 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2ju5 h ALA 132 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2ju5 h ALA 132 CO -0.06 0.64 0.28 -0.92 0.00 0.00 0.00 179.25 179.20 2ju5 h TYR 133 N 1.01 0.95 -0.40 0.00 5.03 -1.13 -2.81 116.97 119.62 2ju5 h TYR 133 Ca 0.21 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 2ju5 h TYR 133 Cb 0.37 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 2ju5 h TYR 133 CO 0.03 0.73 -0.14 -0.39 -1.32 0.00 0.00 178.16 177.07 2ju5 h VAL 134 N 0.89 1.26 -0.82 1.81 -1.51 -1.30 -2.18 116.25 114.41 2ju5 h VAL 134 Ca 0.22 -1.18 0.02 0.00 -1.23 0.00 0.00 66.70 64.52 2ju5 h VAL 134 Cb 0.16 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 2ju5 h VAL 134 CO -0.02 0.40 0.54 0.28 -1.23 0.00 0.00 177.57 177.53 2ju5 h SER 135 N 0.66 0.91 -0.52 4.19 0.02 -1.27 -1.94 113.55 115.60 2ju5 h SER 135 Ca 0.11 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2ju5 h SER 135 Cb 0.61 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2ju5 h SER 135 CO 0.04 0.65 0.18 0.11 -1.14 0.00 0.00 176.83 176.67 2ju5 h LYS 136 N 1.08 0.80 -0.49 3.45 1.57 -1.24 -2.77 116.57 118.97 2ju5 h LYS 136 Ca 0.31 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2ju5 h LYS 136 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2ju5 h LYS 136 CO -0.08 0.73 -0.04 -0.24 -0.57 0.00 0.00 179.45 179.25 2ju5 h VAL 137 N 0.71 1.25 -0.59 0.50 3.04 -1.10 -2.20 116.25 117.86 2ju5 h VAL 137 Ca 0.17 -1.09 0.03 0.00 -1.01 0.00 0.00 66.70 64.81 2ju5 h VAL 137 Cb 0.25 0.91 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 2ju5 h VAL 137 CO -0.01 0.38 0.35 0.11 -1.01 0.00 0.00 177.57 177.39 2ju5 h LYS 138 N 0.78 0.66 -0.48 4.17 1.57 -1.14 0.91 116.57 123.03 2ju5 h LYS 138 Ca 0.14 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2ju5 h LYS 138 Cb 0.52 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2ju5 h LYS 138 CO 0.03 0.44 -0.06 0.77 -0.57 0.00 0.00 179.45 180.05 2ju5 h SER 139 N 0.68 0.82 -0.47 0.86 0.02 -1.28 -1.95 113.55 112.23 2ju5 h SER 139 Ca 0.24 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2ju5 h SER 139 Cb 0.06 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2ju5 h SER 139 CO -0.12 0.93 -0.17 0.00 -1.14 0.00 0.00 176.83 176.33 2ju5 h ALA 140 N 1.15 0.66 -0.01 3.77 0.00 -0.71 -3.07 119.26 121.05 2ju5 h ALA 140 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ju5 h ALA 140 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ju5 h ALA 140 CO 0.03 0.61 -0.10 1.28 0.00 0.00 0.00 179.25 181.07 2ju5 n LEU 141 N -4.18 0.90 -2.72 0.00 4.32 0.23 -4.67 117.00 110.90 2ju5 n LEU 141 Ca -0.00 -0.23 -0.14 0.00 -0.02 0.00 0.00 56.01 55.62 2ju5 n LEU 141 Cb 0.43 -0.09 0.06 0.00 -1.62 0.00 0.00 43.42 42.20 2ju5 n LEU 141 CO 0.46 0.16 0.11 0.29 -1.22 0.00 0.00 177.39 177.18 2ju5 n LYS 142 N -0.51 -5.00 -0.18 3.23 4.76 -0.80 -4.86 118.16 114.80 2ju5 n LYS 142 Ca 0.16 0.60 0.02 0.00 -2.87 0.00 0.00 58.31 56.22 2ju5 n LYS 142 Cb 0.30 -4.90 0.10 0.00 -1.84 0.00 0.00 35.03 28.69 2ju5 n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2ju5 n LEU 143 N -3.37 1.77 0.00 -0.35 4.32 -0.80 -5.06 117.00 113.50 2ju5 n LEU 143 Ca -0.14 -0.89 0.04 0.00 -0.02 0.00 0.00 56.01 54.99 2ju5 n LEU 143 Cb 0.60 -0.39 0.21 0.00 -1.62 0.00 0.00 43.42 42.22 2ju5 n LEU 143 CO 0.44 0.31 0.44 0.54 -1.22 0.00 0.00 177.39 177.90