#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 1.75 3.14 3.03 0.00 -1.26 -5.09 105.19 106.76 2k5h n GLY 2 Ca 0.00 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 2k5h n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k5h s SER 3 N 0.00 5.60 -0.42 1.61 1.04 -1.26 -4.95 113.70 115.31 2k5h s SER 3 Ca 0.00 -2.91 0.03 0.00 0.48 0.00 0.00 55.95 53.54 2k5h s SER 3 Cb 0.00 -1.93 0.16 0.00 0.10 0.00 0.00 66.02 64.34 2k5h s SER 3 CO 0.00 -0.39 0.30 -0.44 0.98 0.00 0.00 173.24 173.69 2k5h s SER 4 N 0.89 2.56 -0.01 7.02 0.01 -1.26 -5.10 113.70 117.81 2k5h s SER 4 Ca 0.18 -2.80 -0.30 0.00 1.31 0.00 0.00 55.95 54.34 2k5h s SER 4 Cb -0.17 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 2k5h s SER 4 CO -0.05 -0.22 1.08 -1.00 0.41 0.00 0.00 173.24 173.46 2k5h s HIS 5 N 0.28 3.50 0.16 2.43 0.09 -1.26 -5.01 115.29 115.48 2k5h s HIS 5 Ca 0.25 1.49 -0.20 0.00 -0.00 0.00 0.00 55.06 56.60 2k5h s HIS 5 Cb -0.10 -3.27 -0.08 0.00 -0.00 0.00 0.00 32.58 29.14 2k5h s HIS 5 CO -0.10 -0.62 0.67 -1.01 -0.00 0.00 0.00 174.74 173.69 2k5h s HIS 6 N 1.36 3.74 -0.28 1.40 4.02 -1.26 -5.05 115.29 119.22 2k5h s HIS 6 Ca 0.54 1.37 -0.00 0.00 1.02 0.00 0.00 55.06 57.99 2k5h s HIS 6 Cb -0.24 -2.59 0.09 0.00 -1.02 0.00 0.00 32.58 28.82 2k5h s HIS 6 CO 0.26 0.45 0.05 -1.01 1.02 0.00 0.00 174.74 175.52 2k5h s HIS 7 N -1.33 1.98 0.03 1.40 0.09 -1.26 -5.11 115.29 111.08 2k5h s HIS 7 Ca 0.37 -1.76 -0.28 0.00 -0.00 0.00 0.00 55.06 53.39 2k5h s HIS 7 Cb -0.19 -1.73 -0.04 0.00 -0.00 0.00 0.00 32.58 30.62 2k5h s HIS 7 CO 0.21 -0.83 0.90 -3.38 -0.00 0.00 0.00 174.74 171.64 2k5h s HIS 8 N 1.53 3.70 -0.58 1.40 -0.00 -1.26 -4.98 115.29 115.10 2k5h s HIS 8 Ca 0.05 1.62 0.06 0.00 -0.00 0.00 0.00 55.06 56.80 2k5h s HIS 8 Cb -0.18 -3.00 0.27 0.00 -0.00 0.00 0.00 32.58 29.67 2k5h s HIS 8 CO -0.17 0.11 0.75 -2.39 -0.00 0.00 0.00 174.74 173.04 2k5h n HIS 9 N 3.39 2.99 -3.73 0.38 -0.00 -1.26 -5.03 115.22 111.96 2k5h n HIS 9 Ca 0.02 -4.03 -0.12 0.00 -0.00 0.00 0.00 57.72 53.59 2k5h n HIS 9 Cb 0.50 -0.51 -0.11 0.00 -0.00 0.00 0.00 29.99 29.87 2k5h n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5h s HIS 10 N -2.44 -0.47 -0.10 -1.40 0.09 -1.26 -5.12 115.29 104.59 2k5h s HIS 10 Ca 0.41 1.08 -0.31 0.00 -0.00 0.00 0.00 55.06 56.23 2k5h s HIS 10 Cb 0.18 0.17 -0.09 0.00 -0.00 0.00 0.00 32.58 32.85 2k5h s HIS 10 CO -0.05 -0.25 2.04 0.43 -0.00 0.00 0.00 174.74 176.92 2k5h n SER 11 N 3.47 3.54 -4.56 1.40 7.64 -1.26 -4.86 113.62 118.98 2k5h n SER 11 Ca -0.18 0.68 -0.31 0.00 1.01 0.00 0.00 58.87 60.07 2k5h n SER 11 Cb 0.56 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.25 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 5.73 5.58 0.00 6.43 0.01 -1.26 -4.70 113.70 125.50 2k5h s SER 12 Ca 0.95 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2k5h s SER 12 Cb -0.51 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.15 2k5h s SER 12 CO 0.43 -2.35 0.00 0.61 0.41 0.00 0.00 173.24 172.35 2k5h n GLY 13 N 6.86 1.96 1.19 3.44 0.00 -1.26 -4.97 105.19 112.40 2k5h n GLY 13 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2k5h n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5h n ARG 14 N 0.00 -3.37 -2.53 1.61 1.74 -1.26 -4.94 116.66 107.90 2k5h n ARG 14 Ca 0.00 2.48 -0.38 0.00 -0.77 0.00 0.00 57.85 59.18 2k5h n ARG 14 Cb 0.00 -2.77 -0.04 0.00 -1.02 0.00 0.00 32.46 28.63 2k5h n ARG 14 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k5h s GLU 15 N -3.77 4.38 0.24 5.56 2.02 -1.26 -5.05 118.70 120.81 2k5h s GLU 15 Ca 0.00 1.62 0.07 0.00 0.02 0.00 0.00 54.97 56.68 2k5h s GLU 15 Cb 0.00 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 2k5h s GLU 15 CO 0.00 0.02 0.17 0.54 0.02 0.00 0.00 175.26 176.01 2k5h s ASN 16 N -1.29 5.44 0.48 -0.19 4.22 -1.26 -5.14 114.94 117.20 2k5h s ASN 16 Ca 0.52 -0.26 0.06 0.00 -2.14 0.00 0.00 52.86 51.04 2k5h s ASN 16 Cb -0.26 -1.36 0.00 0.00 1.28 0.00 0.00 41.25 40.91 2k5h s ASN 16 CO 0.33 -0.02 0.32 -1.48 -2.04 0.00 0.00 177.10 174.21 2k5h s LEU 17 N -3.69 2.92 -0.29 3.54 2.34 -1.26 -5.14 118.68 117.10 2k5h s LEU 17 Ca 0.32 -1.13 -0.00 0.00 0.06 0.00 0.00 54.13 53.38 2k5h s LEU 17 Cb -0.08 -1.39 0.18 0.00 -0.56 0.00 0.00 46.19 44.33 2k5h s LEU 17 CO 0.24 -0.86 0.55 -0.47 -1.06 0.00 0.00 176.35 174.75 2k5h s TYR 18 N -2.68 -1.48 0.25 3.48 5.04 -1.26 -5.12 117.35 115.59 2k5h s TYR 18 Ca 0.37 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2k5h s TYR 18 Cb -0.01 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.70 2k5h s TYR 18 CO 0.22 -0.89 0.00 0.34 -1.34 0.00 0.00 175.55 173.88 2k5h n PHE 19 N 5.41 -2.53 -3.19 4.97 7.35 -1.26 -4.88 117.46 123.34 2k5h n PHE 19 Ca -0.00 1.33 -0.44 0.00 -0.76 0.00 0.00 57.45 57.58 2k5h n PHE 19 Cb 0.51 -2.54 -0.07 0.00 0.35 0.00 0.00 39.48 37.74 2k5h n PHE 19 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2k5h s GLN 20 N -3.94 3.11 0.00 -4.13 -2.07 -1.26 -4.90 119.66 106.47 2k5h s GLN 20 Ca 0.00 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.64 2k5h s GLN 20 Cb 0.00 -4.08 0.00 0.00 -1.09 0.00 0.00 33.01 27.84 2k5h s GLN 20 CO 0.00 -1.16 0.00 0.41 -1.32 0.00 0.00 175.29 173.22 2k5h n GLY 21 N 5.16 0.67 0.00 2.60 0.00 -1.26 -5.00 105.19 107.36 2k5h n GLY 21 Ca -0.07 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2k5h n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5h n HIS 22 N 4.53 0.00 -0.98 1.61 -0.00 -1.26 -5.12 115.22 114.00 2k5h n HIS 22 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2k5h n HIS 22 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2k5h n HIS 22 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2k5h n MET 23 N -1.46 -2.80 -3.72 1.57 1.56 -1.26 -4.96 117.12 106.05 2k5h n MET 23 Ca 0.00 2.07 -0.29 0.00 -0.27 0.00 0.00 57.70 59.21 2k5h n MET 23 Cb 0.00 -2.31 -0.12 0.00 2.15 0.00 0.00 33.22 32.94 2k5h n MET 23 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k5h s ALA 24 N -2.48 2.56 -0.19 -5.12 0.00 -1.26 -5.09 121.76 110.18 2k5h s ALA 24 Ca 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 51.96 48.97 2k5h s ALA 24 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2k5h s ALA 24 CO 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 175.76 173.63 2k5h s ALA 25 N -0.25 2.75 -0.05 0.00 0.00 -1.26 -5.09 121.76 117.86 2k5h s ALA 25 Ca 0.22 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2k5h s ALA 25 Cb -0.14 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2k5h s ALA 25 CO -0.08 -0.20 0.19 0.50 0.00 0.00 0.00 175.76 176.16 2k5h s ARG 26 N 1.10 0.30 0.26 0.00 3.52 -1.26 -5.16 118.95 117.70 2k5h s ARG 26 Ca 0.01 0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2k5h s ARG 26 Cb -0.15 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 2k5h s ARG 26 CO -0.01 -0.05 0.49 0.96 -0.81 0.00 0.00 175.30 175.88 2k5h s ILE 27 N -0.27 5.09 0.00 4.11 -4.36 -1.26 -5.08 121.20 119.43 2k5h s ILE 27 Ca -0.04 -0.11 -0.14 0.00 -0.26 0.00 0.00 60.65 60.10 2k5h s ILE 27 Cb -0.03 -3.73 -0.06 0.00 1.25 0.00 0.00 42.46 39.89 2k5h s ILE 27 CO 0.01 -0.27 0.40 0.28 0.24 0.00 0.00 174.94 175.60 2k5h s THR 28 N -2.00 5.05 0.09 8.37 -1.32 -1.26 -4.95 115.64 119.61 2k5h s THR 28 Ca 0.42 0.79 0.00 0.00 -1.21 0.00 0.00 61.69 61.69 2k5h s THR 28 Cb -0.11 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2k5h s THR 28 CO 0.30 0.56 0.00 0.61 -2.21 0.00 0.00 174.62 173.87 2k5h n GLY 29 N 1.74 -0.34 3.17 6.08 0.00 -1.26 -5.03 105.19 109.56 2k5h n GLY 29 Ca -0.14 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2k5h n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 30 N -1.29 3.04 0.34 1.61 8.01 -1.26 -4.93 118.70 124.21 2k5h s GLU 30 Ca 0.00 -2.67 0.05 0.00 0.01 0.00 0.00 54.97 52.36 2k5h s GLU 30 Cb 0.00 -4.00 0.69 0.00 -4.31 0.00 0.00 34.13 26.51 2k5h s GLU 30 CO 0.00 -1.22 1.91 -1.35 0.01 0.00 0.00 175.26 174.61 2k5h h PRO 31 N 7.04 0.81 -1.58 0.39 0.11 -2.01 -3.36 132.00 133.40 2k5h h PRO 31 Ca 0.06 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 2k5h h PRO 31 Cb 0.95 -0.18 -0.27 0.00 0.11 0.00 0.00 31.00 31.61 2k5h h PRO 31 CO 0.76 0.53 -0.58 -1.12 -0.21 0.00 0.00 178.00 177.38 2k5h s SER 32 N -6.00 0.11 -0.50 -2.05 0.01 -1.26 -5.11 113.70 98.90 2k5h s SER 32 Ca -0.10 -1.12 -0.17 0.00 1.31 0.00 0.00 55.95 55.86 2k5h s SER 32 Cb 0.20 1.13 0.07 0.00 0.21 0.00 0.00 66.02 67.63 2k5h s SER 32 CO 0.79 -0.24 0.53 -0.75 0.41 0.00 0.00 173.24 173.98 2k5h s LYS 33 N 1.74 3.05 -0.47 12.44 2.20 -1.26 -5.02 119.74 132.42 2k5h s LYS 33 Ca 0.15 -1.15 -0.19 0.00 -0.36 0.00 0.00 55.97 54.43 2k5h s LYS 33 Cb -0.11 -4.14 0.04 0.00 -1.51 0.00 0.00 37.83 32.12 2k5h s LYS 33 CO -0.09 -1.18 0.57 0.15 -0.36 0.00 0.00 175.35 174.45 2k5h s LYS 34 N 2.19 3.13 0.03 4.03 1.02 -1.26 -5.02 119.74 123.86 2k5h s LYS 34 Ca 0.10 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 2k5h s LYS 34 Cb -0.22 -4.04 -0.01 0.00 -0.52 0.00 0.00 37.83 33.03 2k5h s LYS 34 CO 0.09 -1.09 0.05 0.00 -0.92 0.00 0.00 175.35 173.49 2k5h s ALA 35 N 2.48 0.01 -0.15 5.17 0.00 -1.26 -5.10 121.76 122.91 2k5h s ALA 35 Ca 0.15 -0.58 -0.34 0.00 0.00 0.00 0.00 51.96 51.19 2k5h s ALA 35 Cb -0.18 0.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.03 2k5h s ALA 35 CO 0.13 -0.27 1.96 1.55 0.00 0.00 0.00 175.76 179.13 2k5h n VAL 36 N 1.00 0.49 -4.85 0.00 3.14 -1.26 -4.94 118.33 111.91 2k5h n VAL 36 Ca -0.20 -0.16 -0.33 0.00 -2.96 0.00 0.00 64.34 60.69 2k5h n VAL 36 Cb 0.57 -1.88 -0.13 0.00 -1.06 0.00 0.00 33.84 31.34 2k5h n VAL 36 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2k5h s SER 37 N 4.99 4.07 0.00 6.55 0.01 -1.26 -5.00 113.70 123.06 2k5h s SER 37 Ca 0.97 -0.21 0.21 0.00 1.31 0.00 0.00 55.95 58.22 2k5h s SER 37 Cb -0.70 -1.05 0.88 0.00 0.21 0.00 0.00 66.02 65.36 2k5h s SER 37 CO 0.51 0.30 1.66 -0.90 0.41 0.00 0.00 173.24 175.22 2k5h n ASP 38 N 2.59 0.01 0.23 2.44 5.75 -1.26 -3.13 116.55 123.17 2k5h n ASP 38 Ca -0.17 0.50 0.07 0.00 -0.01 0.00 0.00 54.79 55.18 2k5h n ASP 38 Cb 0.52 -0.50 0.58 0.00 -1.03 0.00 0.00 41.12 40.69 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 0.04 -0.00 0.11 3.08 -2.00 -0.31 114.38 115.30 2k5h h ARG 39 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k5h h ARG 39 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2k5h h ARG 39 CO 0.00 0.08 -0.50 1.28 -1.07 0.00 0.00 179.97 179.76 2k5h n LEU 40 N -4.47 0.57 -4.75 3.04 4.32 -1.18 -4.85 117.00 109.67 2k5h n LEU 40 Ca -0.02 -0.04 -0.39 0.00 -0.02 0.00 0.00 56.01 55.54 2k5h n LEU 40 Cb 0.13 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.65 2k5h n LEU 40 CO 0.35 0.14 0.28 -0.63 -1.22 0.00 0.00 177.39 176.30 2k5h s ILE 41 N -2.96 4.99 0.00 -0.08 -1.09 -0.13 -3.54 121.20 118.39 2k5h s ILE 41 Ca 0.12 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 2k5h s ILE 41 Cb 0.18 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2k5h s ILE 41 CO 0.69 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 175.39 2k5h n GLY 42 N 2.68 0.70 4.02 6.18 0.00 -1.19 -4.99 105.19 112.59 2k5h n GLY 42 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.78 2.62 0.23 1.61 1.81 -1.23 -4.83 118.95 118.38 2k5h s ARG 43 Ca 0.00 -1.40 -0.21 0.00 -1.72 0.00 0.00 55.73 52.40 2k5h s ARG 43 Cb 0.00 -2.71 -0.08 0.00 -0.45 0.00 0.00 34.95 31.71 2k5h s ARG 43 CO 0.00 -0.50 0.76 0.21 -0.68 0.00 0.00 175.30 175.09 2k5h s LYS 44 N -4.47 4.33 0.23 3.54 2.20 -1.26 -3.05 119.74 121.25 2k5h s LYS 44 Ca 0.58 0.96 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 2k5h s LYS 44 Cb -0.08 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2k5h s LYS 44 CO 0.35 0.40 0.00 0.20 -0.36 0.00 0.00 175.35 175.95 2k5h s GLY 45 N -1.58 1.56 0.05 5.54 0.00 0.20 -4.59 107.32 108.50 2k5h s GLY 45 Ca 0.43 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 43.47 2k5h s GLY 45 CO 0.22 -1.66 -0.26 0.54 0.00 0.00 0.00 173.10 171.94 2k5h s VAL 46 N -3.45 2.12 -0.31 1.40 0.11 -0.81 0.08 120.40 119.54 2k5h s VAL 46 Ca 0.29 -1.41 -0.24 0.00 -2.93 0.00 0.00 61.98 57.69 2k5h s VAL 46 Cb 0.06 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 2k5h s VAL 46 CO 0.09 0.34 0.82 -0.69 -3.33 0.00 0.00 175.10 172.32 2k5h s VAL 47 N -0.83 4.76 -0.17 2.04 1.01 -0.87 0.21 120.40 126.55 2k5h s VAL 47 Ca 0.12 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.33 2k5h s VAL 47 Cb -0.10 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.87 2k5h s VAL 47 CO 0.02 -0.29 0.16 0.23 0.00 0.00 0.00 175.10 175.22 2k5h n MET 48 N 6.29 0.70 -5.22 2.72 2.81 -0.06 -0.80 117.12 123.56 2k5h n MET 48 Ca 0.05 0.20 -0.31 0.00 -1.81 0.00 0.00 57.70 55.83 2k5h n MET 48 Cb 0.48 -1.63 -0.16 0.00 -0.71 0.00 0.00 33.22 31.19 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 -2.54 2.43 0.03 0.03 2.56 -0.72 -4.82 118.70 115.67 2k5h s GLU 49 Ca -0.24 -0.87 -0.33 0.00 0.00 0.00 0.00 54.97 53.53 2k5h s GLU 49 Cb 0.08 -2.08 -0.12 0.00 2.00 0.00 0.00 34.13 34.01 2k5h s GLU 49 CO 0.72 0.38 1.82 0.00 -0.56 0.00 0.00 175.26 177.62 2k5h n ALA 50 N 2.93 1.42 -2.66 6.30 0.00 -1.26 -2.57 120.51 124.67 2k5h n ALA 50 Ca -0.17 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 2k5h n ALA 50 Cb 0.52 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 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 3.15 5.10 0.29 0.00 1.01 0.88 -4.13 121.20 127.51 2k5h s ILE 51 Ca 0.87 0.94 0.07 0.00 0.00 0.00 0.00 60.65 62.53 2k5h s ILE 51 Cb -0.60 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 2k5h s ILE 51 CO 0.44 0.16 -0.06 -0.94 0.00 0.00 0.00 174.94 174.54 2k5h s SER 52 N 1.20 2.93 0.00 3.58 1.04 -0.62 -1.11 113.70 120.73 2k5h s SER 52 Ca 0.24 -1.20 0.29 0.00 0.48 0.00 0.00 55.95 55.75 2k5h s SER 52 Cb -0.15 -0.20 1.46 0.00 0.10 0.00 0.00 66.02 67.23 2k5h s SER 52 CO 0.09 -0.33 2.00 -0.81 0.98 0.00 0.00 173.24 175.17 2k5h n PRO 53 N -0.63 0.43 -0.07 4.02 -0.04 -1.26 -3.41 135.00 134.04 2k5h n PRO 53 Ca -0.05 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 2k5h n PRO 53 Cb 0.64 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2k5h n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k5h n GLN 54 N -1.28 1.23 -4.32 0.54 6.02 -1.26 -5.00 117.38 113.31 2k5h n GLN 54 Ca 0.14 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.97 2k5h n GLN 54 Cb 0.22 -1.31 -0.15 0.00 1.02 0.00 0.00 30.24 30.02 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k5h s ASN 55 N -4.98 1.06 0.65 1.08 2.47 -1.22 -5.14 114.94 108.85 2k5h s ASN 55 Ca -0.13 -0.16 -0.15 0.00 0.42 0.00 0.00 52.86 52.83 2k5h s ASN 55 Cb 0.04 -0.29 -0.01 0.00 -1.45 0.00 0.00 41.25 39.55 2k5h s ASN 55 CO 0.43 0.05 1.10 -0.44 -3.72 0.00 0.00 177.10 174.52 2k5h s SER 56 N 0.24 5.22 0.20 -4.21 0.01 -1.26 -1.59 113.70 112.31 2k5h s SER 56 Ca -0.03 1.98 0.01 0.00 1.31 0.00 0.00 55.95 59.22 2k5h s SER 56 Cb -0.08 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2k5h s SER 56 CO 0.00 -1.55 0.10 0.61 0.41 0.00 0.00 173.24 172.81 2k5h n GLY 57 N -0.56 3.26 3.09 3.44 0.00 -0.51 -4.73 105.19 109.17 2k5h n GLY 57 Ca 0.10 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 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 1.79 0.00 0.99 1.02 -1.06 -0.78 118.68 120.63 2k5h s LEU 58 Ca 0.08 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.88 2k5h s LEU 58 Cb -0.01 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 2k5h s LEU 58 CO 0.05 0.06 -0.18 0.68 0.02 0.00 0.00 176.35 176.98 2k5h s VAL 59 N 0.67 2.79 -0.33 -1.59 -7.23 -0.30 -0.88 120.40 113.53 2k5h s VAL 59 Ca -0.13 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.91 2k5h s VAL 59 Cb -0.16 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 2k5h s VAL 59 CO 0.04 0.46 0.18 -0.75 -0.31 0.00 0.00 175.10 174.72 2k5h s LYS 60 N -1.09 3.26 -0.93 4.82 2.20 0.13 -0.85 119.74 127.29 2k5h s LYS 60 Ca 0.13 -0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 54.82 2k5h s LYS 60 Cb -0.10 -3.65 0.22 0.00 -1.51 0.00 0.00 37.83 32.78 2k5h s LYS 60 CO 0.03 -0.48 0.93 0.08 -0.36 0.00 0.00 175.35 175.54 2k5h s VAL 61 N 1.62 5.56 0.00 4.02 1.01 0.17 -1.91 120.40 130.87 2k5h s VAL 61 Ca 0.04 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.44 2k5h s VAL 61 Cb -0.18 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2k5h s VAL 61 CO 0.07 -1.16 0.00 -0.67 0.00 0.00 0.00 175.10 173.34 2k5h n ASP 62 N 4.10 0.00 0.00 3.32 2.03 -1.26 -1.49 116.55 123.25 2k5h n ASP 62 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2k5h n ASP 62 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 0.87 3.93 0.27 0.00 -1.26 -5.08 105.19 103.92 2k5h n GLY 63 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.54 3.33 -0.12 1.61 0.41 -0.56 -5.11 118.70 117.72 2k5h s GLU 64 Ca 0.00 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 2k5h s GLU 64 Cb 0.00 -2.84 0.03 0.00 -1.78 0.00 0.00 34.13 29.54 2k5h s GLU 64 CO 0.00 0.45 -0.03 0.99 -0.49 0.00 0.00 175.26 176.18 2k5h s THR 65 N -1.93 0.72 0.35 3.63 2.01 -1.26 0.42 115.64 119.57 2k5h s THR 65 Ca 0.34 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.19 2k5h s THR 65 Cb -0.09 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 2k5h s THR 65 CO 0.28 0.19 -0.08 0.26 -0.69 0.00 0.00 174.62 174.59 2k5h s TRP 66 N 1.82 2.43 0.43 4.92 0.52 -0.03 -4.94 118.94 124.09 2k5h s TRP 66 Ca 0.03 -0.50 -0.20 0.00 0.02 0.00 0.00 56.10 55.46 2k5h s TRP 66 Cb -0.14 -1.41 -0.11 0.00 -1.15 0.00 0.00 33.47 30.66 2k5h s TRP 66 CO -0.07 0.56 0.94 1.03 0.02 0.00 0.00 176.95 179.43 2k5h s ARG 67 N -3.63 4.19 -0.01 4.98 0.52 -1.26 -1.15 118.95 122.59 2k5h s ARG 67 Ca 0.33 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2k5h s ARG 67 Cb 0.02 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2k5h s ARG 67 CO 0.17 -0.04 0.02 0.00 0.02 0.00 0.00 175.30 175.47 2k5h s ALA 68 N -2.21 -0.05 -0.01 2.13 0.00 0.04 -0.39 121.76 121.26 2k5h s ALA 68 Ca 0.61 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.66 2k5h s ALA 68 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2k5h s ALA 68 CO 0.15 -0.01 -0.13 0.95 0.00 0.00 0.00 175.76 176.71 2k5h s THR 69 N -0.02 1.07 0.19 0.00 -4.23 -0.52 -1.43 115.64 110.71 2k5h s THR 69 Ca -0.00 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.80 2k5h s THR 69 Cb -0.00 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.94 2k5h s THR 69 CO 0.00 0.31 0.43 -0.55 -0.54 0.00 0.00 174.62 174.27 2k5h s SER 70 N -0.25 -0.12 0.24 3.99 0.15 -1.26 -2.97 113.70 113.48 2k5h s SER 70 Ca 0.04 -0.70 0.20 0.00 0.70 0.00 0.00 55.95 56.18 2k5h s SER 70 Cb -0.06 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2k5h s SER 70 CO -0.00 -1.02 1.20 1.23 1.20 0.00 0.00 173.24 175.85 2k5h h GLY 71 N 2.33 0.00 -1.68 9.45 0.00 -1.92 -3.37 103.07 107.89 2k5h h GLY 71 Ca -0.29 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.59 2k5h h GLY 71 CO 0.41 0.00 0.04 -1.59 0.00 0.00 0.00 176.54 175.39 2k5h s THR 72 N -3.14 2.77 -0.20 4.70 2.01 -1.26 -4.63 115.64 115.89 2k5h s THR 72 Ca 0.01 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 2k5h s THR 72 Cb 0.08 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2k5h s THR 72 CO 0.76 -0.06 0.13 0.54 -0.69 0.00 0.00 174.62 175.29 2k5h s VAL 73 N -2.87 5.35 -0.13 3.82 0.11 -1.26 -4.39 120.40 121.03 2k5h s VAL 73 Ca 0.57 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 2k5h s VAL 73 Cb -0.10 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2k5h s VAL 73 CO 0.40 0.43 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.73 2k5h s LEU 74 N 0.45 1.43 0.00 2.54 1.43 -0.26 -5.00 118.68 119.27 2k5h s LEU 74 Ca 0.08 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2k5h s LEU 74 Cb -0.11 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.25 2k5h s LEU 74 CO -0.01 -0.08 1.00 -0.67 0.23 0.00 0.00 176.35 176.82 2k5h n ASP 75 N 4.81 1.51 -4.75 2.29 2.03 -1.26 -0.08 116.55 121.10 2k5h n ASP 75 Ca -0.15 -2.23 -0.41 0.00 0.52 0.00 0.00 54.79 52.52 2k5h n ASP 75 Cb 0.50 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 2k5h n ASP 75 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2k5h s VAL 76 N -3.12 3.57 0.00 5.18 1.01 -1.26 -3.23 120.40 122.56 2k5h s VAL 76 Ca 0.67 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2k5h s VAL 76 Cb -0.04 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2k5h s VAL 76 CO 0.44 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.47 2k5h n GLY 77 N 1.55 0.76 3.84 4.51 0.00 0.02 -4.97 105.19 110.90 2k5h n GLY 77 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.73 0.92 -0.15 1.61 0.41 -1.20 -4.78 118.70 114.78 2k5h s GLU 78 Ca 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 54.97 54.52 2k5h s GLU 78 Cb 0.00 -1.84 -0.02 0.00 -1.78 0.00 0.00 34.13 30.49 2k5h s GLU 78 CO 0.00 -2.29 -0.07 -1.21 -0.49 0.00 0.00 175.26 171.20 2k5h s GLU 79 N -5.56 3.56 0.06 1.61 2.02 -1.26 -2.06 118.70 117.07 2k5h s GLU 79 Ca 0.67 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 55.16 2k5h s GLU 79 Cb -0.10 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 2k5h s GLU 79 CO 0.52 0.22 -0.22 0.14 0.02 0.00 0.00 175.26 175.95 2k5h s VAL 80 N 0.38 2.51 -0.24 2.63 -7.23 0.11 -1.21 120.40 117.36 2k5h s VAL 80 Ca -0.07 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2k5h s VAL 80 Cb -0.15 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2k5h s VAL 80 CO 0.04 0.29 0.08 -0.44 -0.31 0.00 0.00 175.10 174.76 2k5h s SER 81 N -1.53 5.30 -0.46 4.85 0.01 0.82 -0.62 113.70 122.06 2k5h s SER 81 Ca 0.14 -0.13 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2k5h s SER 81 Cb -0.10 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.21 2k5h s SER 81 CO 0.05 0.01 1.17 -0.69 0.41 0.00 0.00 173.24 174.19 2k5h s VAL 82 N 1.38 4.17 -0.13 3.43 1.01 -1.17 -2.22 120.40 126.87 2k5h s VAL 82 Ca 0.05 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 2k5h s VAL 82 Cb -0.15 -4.55 -0.26 0.00 0.00 0.00 0.00 36.38 31.42 2k5h s VAL 82 CO 0.04 -0.96 0.64 0.11 0.00 0.00 0.00 175.10 174.93 2k5h h LYS 83 N 9.38 0.11 -3.18 2.72 1.79 -1.23 -3.16 116.57 123.00 2k5h h LYS 83 Ca -0.23 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 57.98 2k5h h LYS 83 Cb 1.07 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2k5h h LYS 83 CO 1.12 1.09 0.20 0.00 -1.08 0.00 0.00 179.45 180.79 2k5h s ALA 84 N -2.35 -0.48 -0.08 3.86 0.00 -1.10 -4.86 121.76 116.76 2k5h s ALA 84 Ca -0.20 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 2k5h s ALA 84 Cb 0.01 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2k5h s ALA 84 CO 0.72 -0.95 -0.05 0.42 0.00 0.00 0.00 175.76 175.89 2k5h s ILE 85 N -2.34 3.87 -0.48 0.00 1.01 -1.26 -0.44 121.20 121.54 2k5h s ILE 85 Ca 0.18 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2k5h s ILE 85 Cb -0.04 -2.60 0.17 0.00 0.01 0.00 0.00 42.46 40.00 2k5h s ILE 85 CO 0.13 0.59 0.39 1.21 0.00 0.00 0.00 174.94 177.26 2k5h n GLU 86 N 2.36 0.63 0.00 2.79 0.00 0.81 -4.85 120.64 122.38 2k5h n GLU 86 Ca -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 57.16 53.47 2k5h n GLU 86 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k5h n GLY 87 N 2.55 2.71 0.74 8.31 0.00 -1.26 -1.30 105.19 116.94 2k5h n GLY 87 Ca 0.27 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2k5h n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5h n VAL 88 N 0.00 0.07 -4.11 1.61 0.31 -1.26 -4.91 118.33 110.05 2k5h n VAL 88 Ca 0.00 -0.40 -0.27 0.00 -0.01 0.00 0.00 64.34 63.66 2k5h n VAL 88 Cb 0.00 0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 33.78 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k5h s LYS 89 N -1.93 2.78 -0.06 5.55 1.02 -0.42 -4.09 119.74 122.59 2k5h s LYS 89 Ca 0.34 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2k5h s LYS 89 Cb 0.20 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2k5h s LYS 89 CO 0.31 0.49 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.72 2k5h s LEU 90 N -2.94 3.54 -0.51 3.17 1.43 0.48 -0.14 118.68 123.71 2k5h s LEU 90 Ca 0.30 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.27 2k5h s LEU 90 Cb -0.10 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.28 2k5h s LEU 90 CO 0.22 0.35 0.80 -0.69 0.23 0.00 0.00 176.35 177.25 2k5h s VAL 91 N -0.95 4.61 0.21 -1.59 1.01 0.41 -1.45 120.40 122.66 2k5h s VAL 91 Ca 0.15 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2k5h s VAL 91 Cb -0.11 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2k5h s VAL 91 CO 0.05 -0.92 -0.10 0.68 0.00 0.00 0.00 175.10 174.81 2k5h s VAL 92 N 3.35 1.51 0.23 2.92 -7.23 -1.16 -0.61 120.40 119.41 2k5h s VAL 92 Ca 0.25 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.17 2k5h s VAL 92 Cb -0.15 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 2k5h s VAL 92 CO 0.17 -0.55 0.40 -1.83 -0.31 0.00 0.00 175.10 172.99 2k5h s GLU 93 N -3.71 1.45 0.34 4.82 -1.05 -0.94 -4.47 118.70 115.14 2k5h s GLU 93 Ca 0.23 -1.31 -0.28 0.00 -0.15 0.00 0.00 54.97 53.46 2k5h s GLU 93 Cb 0.02 0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 2k5h s GLU 93 CO 0.06 -0.58 1.26 0.21 0.95 0.00 0.00 175.26 177.17 2k5h s LYS 94 N -4.04 4.31 0.26 -4.83 2.20 -1.26 -0.13 119.74 116.26 2k5h s LYS 94 Ca 0.25 2.11 -0.20 0.00 -0.36 0.00 0.00 55.97 57.76 2k5h s LYS 94 Cb 0.01 -3.00 -0.09 0.00 -1.51 0.00 0.00 37.83 33.24 2k5h s LYS 94 CO 0.09 -0.18 0.77 -1.17 -0.36 0.00 0.00 175.35 174.50 2k5h s LEU 95 N -1.90 4.29 -0.84 5.43 0.20 -0.35 -3.62 118.68 121.90 2k5h s LEU 95 Ca 0.50 1.48 0.00 0.00 0.69 0.00 0.00 54.13 56.80 2k5h s LEU 95 Cb -0.37 -3.76 0.00 0.00 -0.43 0.00 0.00 46.19 41.62 2k5h s LEU 95 CO 0.49 -0.03 0.00 1.21 -0.29 0.00 0.00 176.35 177.73 2k5h n GLU 96 N 0.50 -0.64 -3.29 1.98 2.13 -1.26 -4.90 120.64 115.16 2k5h n GLU 96 Ca -0.00 0.63 -0.38 0.00 0.66 0.00 0.00 57.16 58.06 2k5h n GLU 96 Cb 0.51 -4.55 -0.06 0.00 0.27 0.00 0.00 31.44 27.62 2k5h n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2k5h s GLU 97 N -3.51 4.32 2.02 5.31 -6.30 -1.24 -4.91 118.70 114.39 2k5h s GLU 97 Ca 0.00 0.52 0.00 0.00 -2.50 0.00 0.00 54.97 52.99 2k5h s GLU 97 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2k5h s GLU 97 CO 0.00 0.21 0.00 1.04 0.02 0.00 0.00 175.26 176.53 2k5h n GLN 98 N 3.45 0.00 -2.51 4.30 6.02 -1.26 -4.06 117.38 123.32 2k5h n GLN 98 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 2k5h n GLN 98 Cb 0.52 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.78 2k5h n GLN 98 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k5h n LYS 99 N -1.89 3.94 0.00 -1.09 5.02 -1.26 -5.00 118.16 117.87 2k5h n LYS 99 Ca 0.00 -4.41 0.00 0.00 -2.02 0.00 0.00 58.31 51.88 2k5h n LYS 99 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5h n GLY 100 N -0.29 1.37 0.26 0.72 0.00 -1.26 -5.25 105.19 100.74 2k5h n GLY 100 Ca 0.44 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.86 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76