#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 3.20 2.73 -5.12 0.00 -1.26 -4.91 105.19 99.83 2k5h n GLY 2 Ca 0.00 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2k5h n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k5h n SER 3 N 0.00 7.14 0.00 1.61 7.64 -1.26 -4.70 113.62 124.05 2k5h n SER 3 Ca 0.00 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.31 2k5h n SER 3 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2k5h n SER 3 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k5h n SER 4 N 0.10 0.00 0.00 6.43 3.41 -1.26 -4.89 113.62 117.41 2k5h n SER 4 Ca 0.52 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2k5h n SER 4 Cb 0.36 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k5h n SER 4 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k5h n HIS 5 N -1.70 0.00 -1.36 7.33 -0.00 -1.26 -4.75 115.22 113.49 2k5h n HIS 5 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2k5h n HIS 5 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2k5h n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5h n HIS 6 N 0.00 0.00 -1.01 4.41 -0.00 -1.26 -4.51 115.22 112.85 2k5h n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k5h n HIS 6 Cb 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 27.54 2k5h n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5h n HIS 7 N -2.50 -2.77 -2.80 1.57 -0.00 -1.26 -4.71 115.22 102.75 2k5h n HIS 7 Ca -0.12 1.49 -0.43 0.00 -0.00 0.00 0.00 57.72 58.66 2k5h n HIS 7 Cb 0.48 -2.53 -0.01 0.00 -0.00 0.00 0.00 29.99 27.92 2k5h n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5h s HIS 8 N -4.19 3.07 -0.04 4.41 5.65 -1.26 -4.92 115.29 118.02 2k5h s HIS 8 Ca 0.00 -1.59 0.00 0.00 0.25 0.00 0.00 55.06 53.73 2k5h s HIS 8 Cb 0.00 -4.46 0.03 0.00 -1.18 0.00 0.00 32.58 26.96 2k5h s HIS 8 CO 0.00 -1.60 -0.01 -3.38 -0.65 0.00 0.00 174.74 169.10 2k5h s HIS 9 N 3.04 0.48 -2.03 3.88 -0.00 -1.26 -5.03 115.29 114.36 2k5h s HIS 9 Ca 0.43 -0.07 0.30 0.00 -0.00 0.00 0.00 55.06 55.72 2k5h s HIS 9 Cb -0.02 -0.54 1.56 0.00 -0.00 0.00 0.00 32.58 33.59 2k5h s HIS 9 CO -0.03 -0.18 2.04 1.58 -0.00 0.00 0.00 174.74 178.15 2k5h n HIS 10 N 4.30 0.00 -1.25 0.38 -0.00 -1.26 -4.88 115.22 112.51 2k5h n HIS 10 Ca -0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.41 2k5h n HIS 10 Cb 0.50 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 2k5h n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2k5h n SER 11 N -0.71 -4.61 -4.79 0.26 7.64 -1.26 -4.98 113.62 105.17 2k5h n SER 11 Ca 0.21 0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.94 2k5h n SER 11 Cb 0.21 -2.86 -0.05 0.00 -1.01 0.00 0.00 64.21 60.49 2k5h n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k5h s SER 12 N -2.59 6.86 0.39 6.43 0.01 -1.26 -5.05 113.70 118.48 2k5h s SER 12 Ca 0.00 1.90 0.05 0.00 1.31 0.00 0.00 55.95 59.21 2k5h s SER 12 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2k5h s SER 12 CO 0.00 -0.42 0.18 -0.83 0.41 0.00 0.00 173.24 172.58 2k5h s GLY 13 N -1.77 2.55 -0.25 3.44 0.00 -1.26 -5.13 107.32 104.90 2k5h s GLY 13 Ca 0.59 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 2k5h s GLY 13 CO 0.22 -1.71 0.36 0.50 0.00 0.00 0.00 173.10 172.47 2k5h s ARG 14 N -3.62 4.06 0.38 2.90 1.81 -1.26 -4.92 118.95 118.30 2k5h s ARG 14 Ca 0.29 0.05 0.23 0.00 -1.72 0.00 0.00 55.73 54.57 2k5h s ARG 14 Cb 0.02 -3.61 0.25 0.00 -0.45 0.00 0.00 34.95 31.15 2k5h s ARG 14 CO 0.19 -0.18 1.47 1.05 -0.68 0.00 0.00 175.30 177.14 2k5h h GLU 15 N 7.91 0.00 0.00 3.54 4.11 -2.05 -3.46 114.58 124.63 2k5h h GLU 15 Ca -0.33 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.67 2k5h h GLU 15 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2k5h h GLU 15 CO 0.66 0.02 -0.19 -1.71 0.07 0.00 0.00 179.01 177.86 2k5h n ASN 16 N -3.01 2.26 -4.79 3.06 2.85 -1.26 -5.12 115.26 109.26 2k5h n ASN 16 Ca 0.03 -2.41 -0.31 0.00 -0.11 0.00 0.00 54.58 51.78 2k5h n ASN 16 Cb 0.55 -0.06 0.08 0.00 1.24 0.00 0.00 39.78 41.59 2k5h n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k5h s LEU 17 N 0.00 3.00 -0.02 1.20 1.43 -1.26 -4.99 118.68 118.05 2k5h s LEU 17 Ca 0.26 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2k5h s LEU 17 Cb -0.02 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 2k5h s LEU 17 CO 0.16 -1.86 1.06 -0.31 0.23 0.00 0.00 176.35 175.64 2k5h s TYR 18 N -2.97 3.52 -0.53 0.29 2.02 -1.26 -5.00 117.35 113.42 2k5h s TYR 18 Ca 0.60 1.53 -0.19 0.00 -0.37 0.00 0.00 57.07 58.64 2k5h s TYR 18 Cb -0.16 -3.24 0.07 0.00 -0.40 0.00 0.00 41.96 38.23 2k5h s TYR 18 CO 0.56 -0.50 0.64 -0.59 -1.57 0.00 0.00 175.55 174.09 2k5h s PHE 19 N 1.39 3.04 0.35 2.71 -0.71 -1.26 -5.04 117.98 118.45 2k5h s PHE 19 Ca 0.53 -0.66 0.04 0.00 -1.04 0.00 0.00 56.93 55.81 2k5h s PHE 19 Cb -0.23 -3.66 -0.01 0.00 -1.21 0.00 0.00 43.02 37.91 2k5h s PHE 19 CO 0.25 -1.10 0.52 -0.65 -1.34 0.00 0.00 175.22 172.90 2k5h s GLN 20 N 2.64 3.18 3.33 1.99 -0.21 -1.26 -4.96 119.66 124.36 2k5h s GLN 20 Ca 0.14 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2k5h s GLN 20 Cb -0.21 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.06 2k5h s GLN 20 CO 0.10 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 2k5h n GLY 21 N -1.74 0.07 2.94 3.09 0.00 -1.26 -4.94 105.19 103.35 2k5h n GLY 21 Ca -0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 2k5h n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k5h n HIS 22 N 0.00 -1.87 -3.93 1.61 8.25 -1.26 -4.99 115.22 113.03 2k5h n HIS 22 Ca 0.00 0.53 -0.09 0.00 -0.26 0.00 0.00 57.72 57.90 2k5h n HIS 22 Cb 0.00 -4.19 -0.09 0.00 1.12 0.00 0.00 29.99 26.84 2k5h n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k5h s MET 23 N -5.66 0.70 -0.45 -0.41 0.23 -1.26 -5.12 119.30 107.33 2k5h s MET 23 Ca 0.31 -0.91 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 2k5h s MET 23 Cb -0.14 0.27 0.12 0.00 -1.53 0.00 0.00 34.83 33.56 2k5h s MET 23 CO 0.38 -0.19 0.19 0.00 -2.03 0.00 0.00 175.02 173.37 2k5h s ALA 24 N -3.32 2.94 0.35 3.16 0.00 -1.26 -5.10 121.76 118.53 2k5h s ALA 24 Ca 0.01 -2.90 -0.25 0.00 0.00 0.00 0.00 51.96 48.82 2k5h s ALA 24 Cb 0.03 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 21.01 2k5h s ALA 24 CO -0.08 -1.92 0.96 0.00 0.00 0.00 0.00 175.76 174.73 2k5h s ALA 25 N 0.22 3.17 -0.33 0.00 0.00 -1.26 -5.04 121.76 118.52 2k5h s ALA 25 Ca 0.15 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2k5h s ALA 25 Cb -0.23 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.80 2k5h s ALA 25 CO -0.03 0.11 0.09 1.03 0.00 0.00 0.00 175.76 176.96 2k5h s ARG 26 N -2.27 0.99 -0.07 0.00 0.52 -1.26 -4.96 118.95 111.90 2k5h s ARG 26 Ca 0.53 -1.38 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 2k5h s ARG 26 Cb -0.18 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 32.92 2k5h s ARG 26 CO 0.23 -0.98 0.10 -0.89 0.02 0.00 0.00 175.30 173.78 2k5h n ILE 27 N 4.58 -9.02 -2.27 1.52 5.41 -1.26 -5.05 119.36 113.27 2k5h n ILE 27 Ca 0.00 1.78 -0.27 0.00 1.00 0.00 0.00 62.75 65.27 2k5h n ILE 27 Cb 0.42 -5.20 0.15 0.00 -0.71 0.00 0.00 39.64 34.29 2k5h n ILE 27 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2k5h s THR 28 N -0.39 2.05 -0.26 1.39 -4.23 -1.26 -5.02 115.64 107.92 2k5h s THR 28 Ca -0.12 -0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.21 2k5h s THR 28 Cb 0.01 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.94 2k5h s THR 28 CO 0.32 0.00 0.38 0.61 -0.54 0.00 0.00 174.62 175.39 2k5h n GLY 29 N -3.31 -0.37 3.28 3.99 0.00 -1.26 -4.98 105.19 102.53 2k5h n GLY 29 Ca 0.16 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2k5h n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5h s GLU 30 N -2.53 1.59 -0.95 1.61 1.03 -1.26 -5.08 118.70 113.11 2k5h s GLU 30 Ca -0.01 -0.96 -0.21 0.00 0.03 0.00 0.00 54.97 53.82 2k5h s GLU 30 Cb 0.08 -1.69 0.09 0.00 -0.80 0.00 0.00 34.13 31.82 2k5h s GLU 30 CO 0.50 0.44 1.25 -1.25 -1.33 0.00 0.00 175.26 174.87 2k5h s PRO 31 N -1.07 3.56 0.33 -4.83 0.04 -1.26 -5.00 135.00 126.77 2k5h s PRO 31 Ca 0.09 -1.42 0.10 0.00 0.04 0.00 0.00 61.00 59.81 2k5h s PRO 31 Cb -0.09 -5.04 -0.06 0.00 0.04 0.00 0.00 34.50 29.35 2k5h s PRO 31 CO 0.01 -1.96 -0.11 -1.54 0.04 0.00 0.00 177.00 173.44 2k5h s SER 32 N 4.17 3.74 0.63 6.66 1.04 -1.26 -5.03 113.70 123.66 2k5h s SER 32 Ca 0.37 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2k5h s SER 32 Cb -0.04 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2k5h s SER 32 CO -0.08 -0.14 0.00 1.17 0.98 0.00 0.00 173.24 175.17 2k5h n LYS 33 N -0.76 0.00 -2.71 4.02 3.00 -1.26 -4.42 118.16 116.03 2k5h n LYS 33 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 2k5h n LYS 33 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.62 2k5h n LYS 33 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2k5h s LYS 34 N 0.00 3.21 0.08 1.64 1.02 -1.26 -4.99 119.74 119.45 2k5h s LYS 34 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.58 2k5h s LYS 34 Cb 0.00 -4.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.15 2k5h s LYS 34 CO 0.00 -1.88 0.05 0.00 -0.92 0.00 0.00 175.35 172.59 2k5h n ALA 35 N 8.38 0.11 -2.38 5.17 0.00 -1.26 -5.08 120.51 125.46 2k5h n ALA 35 Ca 0.01 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 2k5h n ALA 35 Cb 0.47 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 2k5h n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5h s VAL 36 N -0.63 4.15 -0.04 0.00 0.11 -1.26 -5.01 120.40 117.73 2k5h s VAL 36 Ca 0.03 1.44 -0.09 0.00 -2.93 0.00 0.00 61.98 60.43 2k5h s VAL 36 Cb -0.00 -3.93 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2k5h s VAL 36 CO 0.02 -0.08 0.27 -0.44 -3.33 0.00 0.00 175.10 171.54 2k5h s SER 37 N 1.93 6.55 0.00 3.54 0.01 -1.26 -4.97 113.70 119.50 2k5h s SER 37 Ca 0.58 0.65 0.25 0.00 1.31 0.00 0.00 55.95 58.74 2k5h s SER 37 Cb -0.25 -2.13 1.37 0.00 0.21 0.00 0.00 66.02 65.23 2k5h s SER 37 CO 0.19 0.33 1.86 -0.90 0.41 0.00 0.00 173.24 175.13 2k5h n ASP 38 N 1.63 0.00 0.23 2.44 5.75 -1.26 -3.15 116.55 122.19 2k5h n ASP 38 Ca -0.15 -0.37 0.06 0.00 -0.01 0.00 0.00 54.79 54.32 2k5h n ASP 38 Cb 0.53 -0.17 0.53 0.00 -1.03 0.00 0.00 41.12 40.98 2k5h n ASP 38 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2k5h h ARG 39 N 0.00 0.00 0.00 0.11 2.47 -2.02 -1.49 114.38 113.46 2k5h h ARG 39 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k5h h ARG 39 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2k5h h ARG 39 CO 0.00 0.17 -0.47 1.28 0.56 0.00 0.00 179.97 181.52 2k5h n LEU 40 N -4.26 0.51 -4.72 3.04 4.77 -1.19 -4.79 117.00 110.36 2k5h n LEU 40 Ca -0.02 0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 2k5h n LEU 40 Cb 0.24 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2k5h n LEU 40 CO 0.36 0.04 0.56 -0.63 -1.33 0.00 0.00 177.39 176.39 2k5h s ILE 41 N -3.06 4.80 0.00 -0.08 -1.09 -0.56 -3.00 121.20 118.21 2k5h s ILE 41 Ca 0.10 1.82 0.00 0.00 -2.23 0.00 0.00 60.65 60.33 2k5h s ILE 41 Cb 0.16 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2k5h s ILE 41 CO 0.68 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 175.27 2k5h n GLY 42 N 2.68 0.75 3.98 6.18 0.00 0.24 -5.01 105.19 114.02 2k5h n GLY 42 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.52 3.18 0.06 1.61 0.52 -1.16 -4.81 118.95 117.82 2k5h s ARG 43 Ca 0.00 -0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 2k5h s ARG 43 Cb 0.00 -2.80 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 2k5h s ARG 43 CO 0.00 0.10 0.37 0.21 0.02 0.00 0.00 175.30 176.00 2k5h s LYS 44 N -4.18 3.73 0.10 3.54 2.20 -1.26 -1.22 119.74 122.65 2k5h s LYS 44 Ca 0.43 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 2k5h s LYS 44 Cb -0.09 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2k5h s LYS 44 CO 0.31 0.59 0.07 0.41 -0.36 0.00 0.00 175.35 176.38 2k5h n GLY 45 N 1.02 3.74 3.20 5.54 0.00 0.16 -4.73 105.19 114.11 2k5h n GLY 45 Ca -0.09 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 2k5h n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5h s VAL 46 N -2.30 1.40 -0.27 1.61 0.11 -0.93 -0.90 120.40 119.12 2k5h s VAL 46 Ca 0.10 -1.07 -0.23 0.00 -2.93 0.00 0.00 61.98 57.86 2k5h s VAL 46 Cb 0.01 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2k5h s VAL 46 CO 0.07 0.13 0.74 -0.69 -3.33 0.00 0.00 175.10 172.03 2k5h s VAL 47 N -0.78 4.88 -0.22 2.04 1.01 -0.36 -0.36 120.40 126.59 2k5h s VAL 47 Ca 0.05 1.26 0.11 0.00 0.00 0.00 0.00 61.98 63.40 2k5h s VAL 47 Cb -0.08 -4.06 -0.21 0.00 0.00 0.00 0.00 36.38 32.03 2k5h s VAL 47 CO 0.01 -0.10 -0.06 0.23 0.00 0.00 0.00 175.10 175.19 2k5h n MET 48 N 5.97 0.71 -5.20 2.72 2.81 0.11 -0.94 117.12 123.29 2k5h n MET 48 Ca 0.03 0.06 -0.30 0.00 -1.81 0.00 0.00 57.70 55.67 2k5h n MET 48 Cb 0.48 -1.51 -0.16 0.00 -0.71 0.00 0.00 33.22 31.32 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.49 2.16 0.14 0.03 2.56 -1.00 -4.85 118.70 115.25 2k5h s GLU 49 Ca -0.20 -0.86 -0.34 0.00 0.00 0.00 0.00 54.97 53.57 2k5h s GLU 49 Cb 0.07 -1.97 -0.14 0.00 2.00 0.00 0.00 34.13 34.09 2k5h s GLU 49 CO 0.72 0.45 1.56 0.00 -0.56 0.00 0.00 175.26 177.43 2k5h n ALA 50 N 2.70 1.08 -2.84 6.30 0.00 -1.26 -2.79 120.51 123.69 2k5h n ALA 50 Ca -0.17 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 2k5h n ALA 50 Cb 0.52 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N 0.99 4.78 0.08 0.00 1.01 0.25 -3.66 121.20 124.65 2k5h s ILE 51 Ca 0.80 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.45 2k5h s ILE 51 Cb -0.71 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2k5h s ILE 51 CO 0.39 0.30 -0.06 -0.94 0.00 0.00 0.00 174.94 174.64 2k5h s SER 52 N 1.68 0.95 0.49 3.58 1.04 -0.67 -1.81 113.70 118.95 2k5h s SER 52 Ca 0.07 -0.97 0.16 0.00 0.48 0.00 0.00 55.95 55.69 2k5h s SER 52 Cb -0.15 0.12 1.18 0.00 0.10 0.00 0.00 66.02 67.26 2k5h s SER 52 CO 0.07 -0.48 2.08 -0.65 0.98 0.00 0.00 173.24 175.24 2k5h h PRO 53 N 3.14 0.00 0.07 4.02 0.11 -1.85 -3.08 132.00 134.41 2k5h h PRO 53 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k5h h PRO 53 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k5h h PRO 53 CO 0.63 0.08 -0.03 1.96 -0.21 0.00 0.00 178.00 180.43 2k5h h GLN 54 N 0.00 -0.09 -4.07 1.05 4.20 -1.95 -3.45 115.11 110.80 2k5h h GLN 54 Ca -0.00 0.01 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 2k5h h GLN 54 Cb 0.15 0.02 -0.34 0.00 0.30 0.00 0.00 27.48 27.61 2k5h h GLN 54 CO 0.01 0.45 -0.78 1.21 -0.67 0.00 0.00 178.83 179.05 2k5h s ASN 55 N -5.67 0.98 0.64 1.46 2.47 -1.16 -5.14 114.94 108.53 2k5h s ASN 55 Ca -0.15 -0.14 -0.15 0.00 0.42 0.00 0.00 52.86 52.83 2k5h s ASN 55 Cb 0.01 -0.47 -0.01 0.00 -1.45 0.00 0.00 41.25 39.32 2k5h s ASN 55 CO 0.60 -0.04 1.10 -0.44 -3.72 0.00 0.00 177.10 174.60 2k5h s SER 56 N 0.85 5.23 0.00 -4.21 0.01 -1.24 -1.67 113.70 112.67 2k5h s SER 56 Ca -0.12 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.13 2k5h s SER 56 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2k5h s SER 56 CO 0.01 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 172.72 2k5h n GLY 57 N -0.54 3.62 2.93 3.44 0.00 -0.66 -4.78 105.19 109.20 2k5h n GLY 57 Ca 0.10 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 2k5h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5h s LEU 58 N 0.00 1.29 -0.08 0.99 1.43 -1.12 -1.63 118.68 119.55 2k5h s LEU 58 Ca 0.00 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2k5h s LEU 58 Cb 0.00 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 2k5h s LEU 58 CO 0.00 -0.07 0.00 0.68 0.23 0.00 0.00 176.35 177.19 2k5h s VAL 59 N 1.34 4.30 -0.39 -1.59 -7.23 -0.09 -0.71 120.40 116.03 2k5h s VAL 59 Ca -0.02 -0.26 -0.07 0.00 -1.81 0.00 0.00 61.98 59.82 2k5h s VAL 59 Cb -0.14 -2.81 0.07 0.00 0.56 0.00 0.00 36.38 34.07 2k5h s VAL 59 CO -0.04 0.60 0.19 -0.75 -0.31 0.00 0.00 175.10 174.80 2k5h s LYS 60 N -0.91 2.50 -0.31 4.82 2.20 0.51 -1.18 119.74 127.37 2k5h s LYS 60 Ca 0.13 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 2k5h s LYS 60 Cb -0.11 -3.63 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 2k5h s LYS 60 CO 0.03 -0.88 0.01 0.08 -0.36 0.00 0.00 175.35 174.22 2k5h s VAL 61 N 1.36 2.73 -0.13 4.02 1.01 0.11 -2.18 120.40 127.31 2k5h s VAL 61 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2k5h s VAL 61 Cb -0.22 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2k5h s VAL 61 CO 0.01 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.20 2k5h n ASP 62 N 4.52 -5.02 0.00 3.32 2.03 -1.26 -1.22 116.55 118.92 2k5h n ASP 62 Ca -0.09 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2k5h n ASP 62 Cb 0.43 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.20 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5h n GLY 63 N -0.35 2.00 3.82 0.27 0.00 -1.26 -5.10 105.19 104.57 2k5h n GLY 63 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N -0.07 4.16 -0.19 1.61 0.41 -0.36 -5.06 118.70 119.21 2k5h s GLU 64 Ca 0.00 0.75 -0.02 0.00 -0.41 0.00 0.00 54.97 55.29 2k5h s GLU 64 Cb 0.00 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.45 2k5h s GLU 64 CO 0.00 0.42 -0.10 0.99 -0.49 0.00 0.00 175.26 176.08 2k5h s THR 65 N -1.50 3.02 0.29 3.63 2.01 -1.26 0.06 115.64 121.89 2k5h s THR 65 Ca 0.41 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2k5h s THR 65 Cb -0.16 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 2k5h s THR 65 CO 0.20 0.48 -0.05 0.26 -0.69 0.00 0.00 174.62 174.82 2k5h s TRP 66 N 1.12 1.99 0.47 4.92 0.52 -0.33 -4.96 118.94 122.68 2k5h s TRP 66 Ca 0.01 -0.71 -0.16 0.00 0.02 0.00 0.00 56.10 55.26 2k5h s TRP 66 Cb -0.14 -1.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.94 2k5h s TRP 66 CO -0.03 0.28 0.93 1.03 0.02 0.00 0.00 176.95 179.18 2k5h s ARG 67 N -3.73 3.97 -0.01 4.98 3.00 -1.25 -0.92 118.95 124.99 2k5h s ARG 67 Ca 0.30 0.88 -0.02 0.00 0.00 0.00 0.00 55.73 56.89 2k5h s ARG 67 Cb 0.04 -2.21 0.00 0.00 0.00 0.00 0.00 34.95 32.79 2k5h s ARG 67 CO 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 175.30 175.32 2k5h s ALA 68 N -2.46 -0.13 0.10 2.13 0.00 -0.65 -0.03 121.76 120.73 2k5h s ALA 68 Ca 0.58 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2k5h s ALA 68 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2k5h s ALA 68 CO 0.27 -0.06 -0.08 0.95 0.00 0.00 0.00 175.76 176.84 2k5h s THR 69 N -0.29 0.84 0.10 0.00 -4.23 0.94 -1.66 115.64 111.34 2k5h s THR 69 Ca -0.03 -1.81 -0.25 0.00 -1.18 0.00 0.00 61.69 58.41 2k5h s THR 69 Cb -0.02 -1.54 0.08 0.00 1.34 0.00 0.00 72.50 72.35 2k5h s THR 69 CO 0.00 -0.73 0.73 -0.55 -0.54 0.00 0.00 174.62 173.53 2k5h s SER 70 N -2.79 -0.46 0.00 3.99 0.15 -1.26 -1.96 113.70 111.36 2k5h s SER 70 Ca 0.09 -0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.99 2k5h s SER 70 Cb 0.01 0.52 1.34 0.00 -1.71 0.00 0.00 66.02 66.18 2k5h s SER 70 CO -0.02 -0.86 1.96 0.61 1.20 0.00 0.00 173.24 176.13 2k5h n GLY 71 N -0.34 -1.38 3.69 9.45 0.00 -1.26 -4.33 105.19 111.03 2k5h n GLY 71 Ca -0.13 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2k5h n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5h s THR 72 N -2.80 2.21 -0.13 2.61 2.01 -1.26 -5.01 115.64 113.26 2k5h s THR 72 Ca 0.20 -1.82 -0.14 0.00 0.31 0.00 0.00 61.69 60.24 2k5h s THR 72 Cb 0.19 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2k5h s THR 72 CO 0.49 -0.01 0.31 0.54 -0.69 0.00 0.00 174.62 175.25 2k5h s VAL 73 N -2.64 5.28 -0.10 3.82 0.11 -1.26 -4.73 120.40 120.87 2k5h s VAL 73 Ca 0.39 0.58 0.03 0.00 -2.93 0.00 0.00 61.98 60.05 2k5h s VAL 73 Cb 0.06 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 2k5h s VAL 73 CO 0.21 0.43 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.46 2k5h s LEU 74 N 0.17 1.89 0.60 2.54 1.43 -0.75 -5.01 118.68 119.55 2k5h s LEU 74 Ca 0.18 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 2k5h s LEU 74 Cb -0.13 -1.20 0.09 0.00 0.03 0.00 0.00 46.19 44.97 2k5h s LEU 74 CO 0.05 0.07 0.83 -0.62 0.23 0.00 0.00 176.35 176.91 2k5h s ASP 75 N 0.71 4.96 0.16 2.29 -1.08 -1.26 -0.58 116.67 121.88 2k5h s ASP 75 Ca -0.12 -0.73 -0.30 0.00 -0.52 0.00 0.00 52.55 50.89 2k5h s ASP 75 Cb -0.16 0.19 -0.07 0.00 -1.46 0.00 0.00 42.92 41.42 2k5h s ASP 75 CO 0.02 -1.43 1.01 -0.69 0.52 0.00 0.00 175.17 174.60 2k5h s VAL 76 N -2.75 4.18 0.00 1.11 1.01 -1.26 -3.25 120.40 119.43 2k5h s VAL 76 Ca 0.63 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.51 2k5h s VAL 76 Cb -0.06 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2k5h s VAL 76 CO 0.40 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2k5h n GLY 77 N 2.01 0.61 3.87 4.51 0.00 -0.12 -5.01 105.19 111.06 2k5h n GLY 77 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.80 1.82 -0.09 1.61 0.41 -1.20 -4.81 118.70 115.64 2k5h s GLU 78 Ca 0.00 0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.76 2k5h s GLU 78 Cb 0.00 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.40 2k5h s GLU 78 CO 0.00 -1.71 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.71 2k5h s GLU 79 N -5.49 2.94 0.14 1.61 2.02 -1.26 -1.23 118.70 117.42 2k5h s GLU 79 Ca 0.62 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 55.00 2k5h s GLU 79 Cb -0.12 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 2k5h s GLU 79 CO 0.50 0.42 -0.19 0.14 0.02 0.00 0.00 175.26 176.16 2k5h s VAL 80 N -0.20 1.71 -0.19 2.63 -7.23 -0.08 -0.70 120.40 116.34 2k5h s VAL 80 Ca 0.00 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2k5h s VAL 80 Cb -0.13 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 2k5h s VAL 80 CO 0.03 -0.24 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.00 2k5h s SER 81 N -2.36 4.57 -0.49 4.85 0.15 0.70 0.40 113.70 121.52 2k5h s SER 81 Ca 0.11 -0.26 -0.28 0.00 0.70 0.00 0.00 55.95 56.23 2k5h s SER 81 Cb -0.07 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2k5h s SER 81 CO 0.05 0.07 1.69 -0.69 1.20 0.00 0.00 173.24 175.56 2k5h s VAL 82 N 0.95 3.55 -0.19 4.45 1.01 -0.36 -0.91 120.40 128.90 2k5h s VAL 82 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2k5h s VAL 82 Cb -0.15 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 2k5h s VAL 82 CO 0.01 -0.80 0.13 1.17 0.00 0.00 0.00 175.10 175.61 2k5h n LYS 83 N 8.71 0.65 -3.47 2.72 3.00 0.45 -0.59 118.16 129.62 2k5h n LYS 83 Ca 0.19 0.37 -0.11 0.00 -0.00 0.00 0.00 58.31 58.75 2k5h n LYS 83 Cb 0.49 -1.67 -0.02 0.00 0.00 0.00 0.00 35.03 33.83 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k5h n ALA 84 N -3.38 -0.40 -2.57 3.14 0.00 -0.33 -4.81 120.51 112.16 2k5h n ALA 84 Ca -0.37 -1.27 -0.22 0.00 0.00 0.00 0.00 53.44 51.57 2k5h n ALA 84 Cb 0.88 1.02 -0.14 0.00 0.00 0.00 0.00 19.45 21.21 2k5h n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 85 N -2.69 1.25 -0.35 0.00 1.01 -1.26 0.04 121.20 119.20 2k5h s ILE 85 Ca 0.22 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2k5h s ILE 85 Cb -0.01 -1.09 0.14 0.00 0.01 0.00 0.00 42.46 41.51 2k5h s ILE 85 CO 0.16 0.19 0.22 -0.70 0.00 0.00 0.00 174.94 174.81 2k5h s GLU 86 N -0.79 0.52 7.91 2.79 -6.30 0.13 -4.84 118.70 118.11 2k5h s GLU 86 Ca 0.05 -1.21 0.00 0.00 -2.50 0.00 0.00 54.97 51.30 2k5h s GLU 86 Cb -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 34.13 32.84 2k5h s GLU 86 CO 0.01 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.50 2k5h n GLY 87 N 4.16 2.95 1.14 -1.50 0.00 -1.26 -1.61 105.19 109.06 2k5h n GLY 87 Ca 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2k5h n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5h n VAL 88 N 0.00 0.77 -4.46 1.61 0.24 -1.26 -4.92 118.33 110.31 2k5h n VAL 88 Ca 0.00 -0.88 -0.35 0.00 -2.04 0.00 0.00 64.34 61.07 2k5h n VAL 88 Cb 0.00 0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5h s LYS 89 N -1.18 2.93 0.12 7.34 1.02 -0.64 -3.81 119.74 125.51 2k5h s LYS 89 Ca 0.40 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 2k5h s LYS 89 Cb 0.22 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 2k5h s LYS 89 CO 0.29 0.68 0.38 -0.51 -0.92 0.00 0.00 175.35 175.27 2k5h s LEU 90 N -0.82 4.29 -0.43 3.17 1.43 0.95 0.17 118.68 127.45 2k5h s LEU 90 Ca 0.12 0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 2k5h s LEU 90 Cb -0.11 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.97 2k5h s LEU 90 CO 0.02 0.10 0.32 -0.69 0.23 0.00 0.00 176.35 176.33 2k5h s VAL 91 N -1.56 5.21 0.18 -1.59 1.01 0.11 -0.04 120.40 123.72 2k5h s VAL 91 Ca 0.38 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.67 2k5h s VAL 91 Cb -0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2k5h s VAL 91 CO 0.22 -0.38 -0.15 0.68 0.00 0.00 0.00 175.10 175.46 2k5h s VAL 92 N 1.66 2.88 0.31 2.92 -7.23 -0.83 -0.41 120.40 119.71 2k5h s VAL 92 Ca 0.05 -1.77 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2k5h s VAL 92 Cb -0.21 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2k5h s VAL 92 CO 0.09 -0.09 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.89 2k5h s GLU 93 N -2.71 1.96 -0.10 4.82 -1.05 -0.09 -4.59 118.70 116.95 2k5h s GLU 93 Ca 0.23 -1.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.01 2k5h s GLU 93 Cb -0.09 -1.88 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 2k5h s GLU 93 CO 0.13 0.22 1.13 0.21 0.95 0.00 0.00 175.26 177.89 2k5h s LYS 94 N -3.64 4.35 -0.01 -4.83 2.36 -1.26 -0.22 119.74 116.49 2k5h s LYS 94 Ca 0.33 1.54 -0.19 0.00 -2.55 0.00 0.00 55.97 55.10 2k5h s LYS 94 Cb -0.02 -3.58 -0.05 0.00 -1.05 0.00 0.00 37.83 33.13 2k5h s LYS 94 CO 0.18 -0.45 0.54 -1.17 1.55 0.00 0.00 175.35 176.00 2k5h s LEU 95 N 2.39 4.42 -0.08 5.43 1.98 0.12 -4.81 118.68 128.12 2k5h s LEU 95 Ca 0.52 1.08 0.04 0.00 -2.89 0.00 0.00 54.13 52.89 2k5h s LEU 95 Cb -0.21 -2.83 -0.00 0.00 0.66 0.00 0.00 46.19 43.81 2k5h s LEU 95 CO 0.18 0.14 -0.22 -0.70 -1.89 0.00 0.00 176.35 173.86 2k5h s GLU 96 N -0.31 2.61 -0.08 1.98 2.56 -1.26 -4.68 118.70 119.52 2k5h s GLU 96 Ca 0.29 -0.80 -0.28 0.00 0.00 0.00 0.00 54.97 54.18 2k5h s GLU 96 Cb -0.18 -2.07 -0.02 0.00 2.00 0.00 0.00 34.13 33.86 2k5h s GLU 96 CO 0.16 0.22 0.91 -2.00 -0.56 0.00 0.00 175.26 173.99 2k5h s GLU 97 N 0.22 4.44 0.13 4.30 -6.30 -1.26 -4.94 118.70 115.29 2k5h s GLU 97 Ca -0.13 1.24 -0.01 0.00 -2.50 0.00 0.00 54.97 53.57 2k5h s GLU 97 Cb -0.16 -3.51 -0.11 0.00 0.00 0.00 0.00 34.13 30.35 2k5h s GLU 97 CO 0.06 -0.18 1.29 1.96 0.02 0.00 0.00 175.26 178.42 2k5h h GLN 98 N 7.00 0.27 -5.35 4.30 4.20 -1.99 -3.49 115.11 120.06 2k5h h GLN 98 Ca -0.35 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.02 2k5h h GLN 98 Cb 1.17 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2k5h h GLN 98 CO 0.80 1.07 -0.10 1.17 -0.67 0.00 0.00 178.83 181.10 2k5h n LYS 99 N -3.64 -1.53 0.00 1.46 4.81 -1.26 -4.78 118.16 113.22 2k5h n LYS 99 Ca -0.06 1.63 0.00 0.00 -0.87 0.00 0.00 58.31 59.01 2k5h n LYS 99 Cb 0.87 -5.75 0.00 0.00 0.02 0.00 0.00 35.03 30.18 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5h n GLY 100 N -1.47 0.65 0.00 3.14 0.00 -1.26 -5.35 105.19 100.89 2k5h n GLY 100 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76