#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h s GLY 2 N 0.00 -0.47 0.43 3.03 0.00 -1.26 -5.16 107.32 103.90 2k5h s GLY 2 Ca 0.00 1.72 -0.06 0.00 0.00 0.00 0.00 44.72 46.39 2k5h s GLY 2 CO 0.00 2.60 0.74 -0.45 0.00 0.00 0.00 173.10 175.99 2k5h s SER 3 N 2.69 6.35 -0.15 1.64 0.15 -1.26 -5.02 113.70 118.11 2k5h s SER 3 Ca -0.02 0.91 -0.29 0.00 0.70 0.00 0.00 55.95 57.25 2k5h s SER 3 Cb -0.12 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2k5h s SER 3 CO -0.15 -0.47 1.43 -0.44 1.20 0.00 0.00 173.24 174.81 2k5h s SER 4 N -3.77 6.78 -0.03 5.45 0.01 -1.26 -4.90 113.70 115.98 2k5h s SER 4 Ca 0.47 1.82 -0.04 0.00 1.31 0.00 0.00 55.95 59.52 2k5h s SER 4 Cb -0.10 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2k5h s SER 4 CO 0.39 -0.89 -0.07 1.41 0.41 0.00 0.00 173.24 174.49 2k5h n HIS 5 N 7.05 0.00 -3.42 2.43 -0.00 -1.26 -5.00 115.22 115.02 2k5h n HIS 5 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.50 2k5h n HIS 5 Cb 0.44 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.99 30.27 2k5h n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5h s HIS 6 N -1.47 3.55 -0.12 4.41 5.65 -1.26 -5.06 115.29 120.98 2k5h s HIS 6 Ca -0.06 0.84 -0.03 0.00 0.25 0.00 0.00 55.06 56.06 2k5h s HIS 6 Cb 0.01 -2.43 0.04 0.00 -1.18 0.00 0.00 32.58 29.02 2k5h s HIS 6 CO 0.09 0.31 0.04 -1.01 -0.65 0.00 0.00 174.74 173.52 2k5h s HIS 7 N 0.15 0.56 0.17 3.88 0.09 -1.26 -5.13 115.29 113.75 2k5h s HIS 7 Ca 0.23 -0.33 -0.30 0.00 -0.00 0.00 0.00 55.06 54.66 2k5h s HIS 7 Cb -0.15 -0.79 -0.08 0.00 -0.00 0.00 0.00 32.58 31.57 2k5h s HIS 7 CO 0.09 -0.43 1.13 -3.38 -0.00 0.00 0.00 174.74 172.15 2k5h s HIS 8 N 2.01 3.54 -0.22 1.40 0.00 -1.26 -5.03 115.29 115.73 2k5h s HIS 8 Ca 0.03 1.54 0.01 0.00 -3.00 0.00 0.00 55.06 53.64 2k5h s HIS 8 Cb -0.14 -3.32 0.04 0.00 -4.00 0.00 0.00 32.58 25.15 2k5h s HIS 8 CO -0.07 -0.79 -0.14 -1.58 -1.00 0.00 0.00 174.74 171.16 2k5h s HIS 9 N -0.10 3.03 0.06 0.38 5.65 -1.26 -5.10 115.29 117.95 2k5h s HIS 9 Ca 0.51 -1.90 -0.30 0.00 0.25 0.00 0.00 55.06 53.61 2k5h s HIS 9 Cb -0.30 -1.95 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 2k5h s HIS 9 CO 0.35 -0.82 0.97 -1.58 -0.65 0.00 0.00 174.74 173.00 2k5h s HIS 10 N 1.22 3.74 0.04 3.88 5.65 -1.26 -5.05 115.29 123.50 2k5h s HIS 10 Ca -0.01 1.75 0.09 0.00 0.25 0.00 0.00 55.06 57.13 2k5h s HIS 10 Cb -0.16 -3.08 -0.03 0.00 -1.18 0.00 0.00 32.58 28.12 2k5h s HIS 10 CO -0.08 0.10 -0.25 -1.54 -0.65 0.00 0.00 174.74 172.32 2k5h s SER 11 N 0.50 3.27 -0.36 9.88 1.04 -1.26 -5.11 113.70 121.66 2k5h s SER 11 Ca 0.49 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 2k5h s SER 11 Cb -0.22 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.56 2k5h s SER 11 CO 0.29 0.26 0.21 -0.94 0.98 0.00 0.00 173.24 174.04 2k5h s SER 12 N -1.22 5.77 0.28 7.02 1.04 -1.26 -5.05 113.70 120.28 2k5h s SER 12 Ca 0.12 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.72 2k5h s SER 12 Cb -0.10 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 63.98 2k5h s SER 12 CO 0.02 -0.33 0.40 0.61 0.98 0.00 0.00 173.24 174.92 2k5h n GLY 13 N 5.03 2.22 2.21 7.32 0.00 -1.26 -5.05 105.19 115.66 2k5h n GLY 13 Ca -0.12 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 2k5h n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5h n ARG 14 N -0.44 -1.82 -4.21 1.61 0.00 -1.26 -5.07 116.66 105.46 2k5h n ARG 14 Ca -0.00 1.70 -0.23 0.00 -0.00 0.00 0.00 57.85 59.32 2k5h n ARG 14 Cb 0.45 -3.61 -0.06 0.00 0.00 0.00 0.00 32.46 29.24 2k5h n ARG 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k5h s GLU 15 N -1.21 2.43 -0.29 -0.14 8.01 -1.26 -5.11 118.70 121.14 2k5h s GLU 15 Ca 0.04 -1.38 0.02 0.00 0.01 0.00 0.00 54.97 53.66 2k5h s GLU 15 Cb -0.01 -2.24 0.16 0.00 -4.31 0.00 0.00 34.13 27.73 2k5h s GLU 15 CO 0.44 0.30 0.44 1.21 0.01 0.00 0.00 175.26 177.66 2k5h s ASN 16 N -3.75 0.03 0.00 -0.19 2.47 -1.26 -5.03 114.94 107.20 2k5h s ASN 16 Ca 0.33 -0.20 0.08 0.00 0.42 0.00 0.00 52.86 53.50 2k5h s ASN 16 Cb -0.06 1.27 0.18 0.00 -1.45 0.00 0.00 41.25 41.20 2k5h s ASN 16 CO 0.22 -0.34 1.06 0.18 -3.72 0.00 0.00 177.10 174.50 2k5h n LEU 17 N 5.37 2.38 -4.41 3.21 4.77 -1.26 -4.95 117.00 122.12 2k5h n LEU 17 Ca 0.01 -1.69 -0.36 0.00 -0.03 0.00 0.00 56.01 53.94 2k5h n LEU 17 Cb 0.50 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2k5h n LEU 17 CO -0.02 0.57 -0.30 -0.47 -1.33 0.00 0.00 177.39 175.84 2k5h s TYR 18 N -0.91 3.06 -0.32 -1.77 6.14 -1.26 -5.01 117.35 117.29 2k5h s TYR 18 Ca 0.15 -0.59 0.04 0.00 0.64 0.00 0.00 57.07 57.31 2k5h s TYR 18 Cb 0.08 -2.21 0.19 0.00 0.42 0.00 0.00 41.96 40.45 2k5h s TYR 18 CO 0.11 -0.42 0.68 0.12 0.64 0.00 0.00 175.55 176.68 2k5h s PHE 19 N 1.57 -1.60 -0.04 4.97 5.36 -1.26 -5.16 117.98 121.83 2k5h s PHE 19 Ca 0.06 0.78 -0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2k5h s PHE 19 Cb -0.15 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 2k5h s PHE 19 CO 0.02 -0.97 0.09 -1.14 -1.46 0.00 0.00 175.22 171.77 2k5h s GLN 20 N 2.62 0.10 -0.30 10.12 0.74 -1.26 -5.14 119.66 126.54 2k5h s GLN 20 Ca 0.14 0.15 -0.17 0.00 0.05 0.00 0.00 55.36 55.53 2k5h s GLN 20 Cb -0.07 0.03 0.20 0.00 1.10 0.00 0.00 33.01 34.26 2k5h s GLN 20 CO -0.21 -0.03 1.23 0.20 -0.55 0.00 0.00 175.29 175.93 2k5h s GLY 21 N 0.16 0.43 -0.28 2.59 0.00 -1.26 -5.17 107.32 103.80 2k5h s GLY 21 Ca -0.01 3.69 -0.19 0.00 0.00 0.00 0.00 44.72 48.21 2k5h s GLY 21 CO -0.00 2.96 0.72 -1.58 0.00 0.00 0.00 173.10 175.20 2k5h s HIS 22 N 1.44 -0.95 -0.31 1.90 5.04 -1.26 -5.13 115.29 116.03 2k5h s HIS 22 Ca -0.05 2.00 -0.03 0.00 -1.54 0.00 0.00 55.06 55.44 2k5h s HIS 22 Cb -0.02 0.51 0.19 0.00 0.04 0.00 0.00 32.58 33.30 2k5h s HIS 22 CO -0.12 -0.46 0.83 1.41 -2.34 0.00 0.00 174.74 174.05 2k5h s MET 23 N 1.22 0.37 -0.28 2.88 1.75 -1.26 -5.13 119.30 118.85 2k5h s MET 23 Ca -0.07 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 54.64 2k5h s MET 23 Cb -0.05 0.13 0.07 0.00 2.84 0.00 0.00 34.83 37.83 2k5h s MET 23 CO -0.13 -0.65 -0.06 0.00 -0.65 0.00 0.00 175.02 173.53 2k5h s ALA 24 N 2.70 2.54 -0.10 4.11 0.00 -1.26 -5.08 121.76 124.67 2k5h s ALA 24 Ca 0.19 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 2k5h s ALA 24 Cb -0.05 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.46 2k5h s ALA 24 CO -0.22 -1.33 0.19 0.00 0.00 0.00 0.00 175.76 174.40 2k5h s ALA 25 N 1.10 -0.30 -0.17 0.00 0.00 -1.26 -5.13 121.76 116.00 2k5h s ALA 25 Ca -0.03 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2k5h s ALA 25 Cb -0.20 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2k5h s ALA 25 CO -0.06 -0.51 -0.06 1.03 0.00 0.00 0.00 175.76 176.16 2k5h s ARG 26 N 2.12 3.51 -0.52 0.00 0.52 -1.26 -5.08 118.95 118.24 2k5h s ARG 26 Ca 0.00 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 2k5h s ARG 26 Cb -0.12 -2.89 0.05 0.00 0.52 0.00 0.00 34.95 32.51 2k5h s ARG 26 CO -0.07 0.08 0.73 0.42 0.02 0.00 0.00 175.30 176.49 2k5h s ILE 27 N 0.75 4.71 0.04 1.52 1.01 -1.26 -5.04 121.20 122.93 2k5h s ILE 27 Ca -0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2k5h s ILE 27 Cb -0.15 -4.39 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 2k5h s ILE 27 CO 0.02 -0.92 0.59 0.42 0.00 0.00 0.00 174.94 175.05 2k5h s THR 28 N 3.08 4.81 -0.10 2.92 -4.23 -1.26 -4.93 115.64 115.94 2k5h s THR 28 Ca 0.20 1.25 0.04 0.00 -1.18 0.00 0.00 61.69 62.00 2k5h s THR 28 Cb -0.17 -3.92 0.12 0.00 1.34 0.00 0.00 72.50 69.86 2k5h s THR 28 CO 0.14 0.49 0.80 0.61 -0.54 0.00 0.00 174.62 176.12 2k5h n GLY 29 N 2.07 0.31 3.74 3.99 0.00 -1.26 -5.15 105.19 108.89 2k5h n GLY 29 Ca -0.08 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 0.04 2.71 1.03 1.61 8.01 -1.26 -5.12 118.70 125.72 2k5h s GLU 30 Ca 0.03 -0.92 -0.12 0.00 0.01 0.00 0.00 54.97 53.97 2k5h s GLU 30 Cb 0.13 -2.56 0.21 0.00 -4.31 0.00 0.00 34.13 27.60 2k5h s GLU 30 CO -0.04 0.49 1.08 -1.25 0.01 0.00 0.00 175.26 175.55 2k5h s PRO 31 N -2.89 0.16 -0.09 0.39 0.04 -1.26 -5.03 135.00 126.31 2k5h s PRO 31 Ca 0.29 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.91 2k5h s PRO 31 Cb -0.10 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 2k5h s PRO 31 CO 0.21 -2.95 -0.10 1.03 0.04 0.00 0.00 177.00 175.24 2k5h h SER 32 N -2.05 0.00 -0.00 6.66 0.87 -2.00 -3.41 113.55 113.62 2k5h h SER 32 Ca -0.56 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2k5h h SER 32 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2k5h h SER 32 CO 0.55 0.49 -0.47 0.29 -0.53 0.00 0.00 176.83 177.16 2k5h n LYS 33 N -3.90 2.37 0.00 2.24 5.02 -1.26 -4.25 118.16 118.37 2k5h n LYS 33 Ca -0.04 -0.31 0.14 0.00 -2.02 0.00 0.00 58.31 56.08 2k5h n LYS 33 Cb 0.15 -1.14 0.49 0.00 -0.02 0.00 0.00 35.03 34.50 2k5h n LYS 33 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k5h n LYS 34 N -0.82 1.67 -3.01 1.97 4.81 -1.26 -4.90 118.16 116.61 2k5h n LYS 34 Ca 0.04 -1.01 -0.33 0.00 -0.87 0.00 0.00 58.31 56.14 2k5h n LYS 34 Cb 0.24 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 35 N -2.03 3.24 -0.56 3.14 0.00 -1.26 -4.95 121.76 119.34 2k5h s ALA 35 Ca 0.37 0.20 0.25 0.00 0.00 0.00 0.00 51.96 52.78 2k5h s ALA 35 Cb 0.21 -2.92 0.73 0.00 0.00 0.00 0.00 23.12 21.14 2k5h s ALA 35 CO 0.34 0.26 1.73 0.28 0.00 0.00 0.00 175.76 178.38 2k5h h VAL 36 N 2.08 0.00 -2.67 0.00 2.07 -1.95 -3.50 116.25 112.29 2k5h h VAL 36 Ca -0.48 -0.61 0.32 0.00 0.82 0.00 0.00 66.70 66.75 2k5h h VAL 36 Cb 1.18 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.44 2k5h h VAL 36 CO 0.64 0.00 -0.50 -0.24 0.02 0.00 0.00 177.57 177.49 2k5h n SER 37 N -2.57 -7.08 0.00 0.57 2.88 -1.26 -4.77 113.62 101.40 2k5h n SER 37 Ca 0.04 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2k5h n SER 37 Cb 0.43 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.24 2k5h n SER 37 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k5h n ASP 38 N -3.74 0.59 -0.65 -3.46 5.75 -1.26 -4.77 116.55 109.02 2k5h n ASP 38 Ca -0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2k5h n ASP 38 Cb 0.54 0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.77 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k5h n ARG 39 N -0.10 1.32 -0.01 0.11 5.12 -1.26 -2.25 116.66 119.58 2k5h n ARG 39 Ca 0.00 -0.27 0.10 0.00 -1.93 0.00 0.00 57.85 55.75 2k5h n ARG 39 Cb 0.06 -1.53 -0.16 0.00 -1.16 0.00 0.00 32.46 29.67 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k5h n LEU 40 N 0.07 0.00 -4.74 0.55 4.77 -1.26 -4.95 117.00 111.44 2k5h n LEU 40 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 2k5h n LEU 40 Cb 0.35 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2k5h n LEU 40 CO 0.03 0.01 0.86 -0.63 -1.33 0.00 0.00 177.39 176.33 2k5h s ILE 41 N -3.41 3.60 -0.27 -0.08 -1.09 -0.96 -3.70 121.20 115.30 2k5h s ILE 41 Ca -0.08 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2k5h s ILE 41 Cb 0.13 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 2k5h s ILE 41 CO 0.85 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 175.40 2k5h n GLY 42 N 2.07 0.38 3.36 6.18 0.00 -0.57 -5.03 105.19 111.58 2k5h n GLY 42 Ca 0.04 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.47 1.38 0.05 1.61 0.52 -1.24 -4.93 118.95 112.87 2k5h s ARG 43 Ca 0.00 -1.62 -0.08 0.00 -0.52 0.00 0.00 55.73 53.51 2k5h s ARG 43 Cb 0.00 -1.19 -0.05 0.00 0.52 0.00 0.00 34.95 34.22 2k5h s ARG 43 CO 0.00 0.19 0.34 0.21 0.02 0.00 0.00 175.30 176.07 2k5h s LYS 44 N -3.63 3.68 0.34 3.54 2.20 -1.26 -1.39 119.74 123.21 2k5h s LYS 44 Ca 0.24 0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.99 2k5h s LYS 44 Cb -0.01 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2k5h s LYS 44 CO 0.08 0.60 0.29 0.41 -0.36 0.00 0.00 175.35 176.37 2k5h n GLY 45 N 0.98 2.88 3.32 5.54 0.00 0.21 -4.94 105.19 113.19 2k5h n GLY 45 Ca -0.09 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.38 2.04 -0.31 1.61 0.11 -1.23 -0.48 120.40 118.76 2k5h s VAL 46 Ca 0.41 -1.34 -0.26 0.00 -2.93 0.00 0.00 61.98 57.86 2k5h s VAL 46 Cb 0.02 -1.74 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 2k5h s VAL 46 CO 0.29 0.34 0.93 -0.69 -3.33 0.00 0.00 175.10 172.64 2k5h s VAL 47 N -0.79 4.66 -0.11 2.04 1.01 -0.17 -1.07 120.40 125.97 2k5h s VAL 47 Ca 0.11 1.45 0.20 0.00 0.00 0.00 0.00 61.98 63.74 2k5h s VAL 47 Cb -0.10 -4.28 -0.27 0.00 0.00 0.00 0.00 36.38 31.73 2k5h s VAL 47 CO 0.02 -0.36 0.41 0.23 0.00 0.00 0.00 175.10 175.40 2k5h n MET 48 N 6.52 0.66 -3.94 2.72 2.81 0.14 -1.82 117.12 124.21 2k5h n MET 48 Ca 0.08 -0.07 -0.10 0.00 -1.81 0.00 0.00 57.70 55.80 2k5h n MET 48 Cb 0.48 -1.57 -0.11 0.00 -0.71 0.00 0.00 33.22 31.31 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 -3.10 0.36 0.01 0.03 2.56 -0.51 -4.86 118.70 113.19 2k5h s GLU 49 Ca -0.08 -0.52 -0.34 0.00 0.00 0.00 0.00 54.97 54.04 2k5h s GLU 49 Cb 0.10 0.14 -0.12 0.00 2.00 0.00 0.00 34.13 36.25 2k5h s GLU 49 CO 0.87 -0.07 1.80 0.00 -0.56 0.00 0.00 175.26 177.30 2k5h n ALA 50 N 1.59 1.17 -3.00 6.30 0.00 -1.26 -3.10 120.51 122.22 2k5h n ALA 50 Ca -0.23 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 2k5h n ALA 50 Cb 0.55 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 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 3.13 4.42 0.36 0.00 1.01 0.02 -3.98 121.20 126.17 2k5h s ILE 51 Ca 0.88 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.42 2k5h s ILE 51 Cb -0.65 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 2k5h s ILE 51 CO 0.46 0.29 -0.05 -0.44 0.00 0.00 0.00 174.94 175.20 2k5h s SER 52 N 1.62 3.83 0.33 3.58 0.01 -0.72 -0.54 113.70 121.81 2k5h s SER 52 Ca 0.06 -1.22 0.03 0.00 1.31 0.00 0.00 55.95 56.13 2k5h s SER 52 Cb -0.15 -0.38 0.59 0.00 0.21 0.00 0.00 66.02 66.28 2k5h s SER 52 CO 0.05 -0.28 1.89 -0.65 0.41 0.00 0.00 173.24 174.66 2k5h h PRO 53 N 1.92 0.61 0.10 12.44 0.11 -1.77 -3.23 132.00 142.18 2k5h h PRO 53 Ca -0.43 -0.11 -0.20 0.00 0.11 0.00 0.00 66.00 65.38 2k5h h PRO 53 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k5h h PRO 53 CO 0.73 0.57 -0.95 1.96 -0.21 0.00 0.00 178.00 180.10 2k5h h GLN 54 N 0.60 0.21 -5.13 1.05 7.50 -1.96 -3.45 115.11 113.92 2k5h h GLN 54 Ca 0.14 -0.36 -0.66 0.00 0.50 0.00 0.00 58.65 58.26 2k5h h GLN 54 Cb 0.25 0.13 -0.34 0.00 0.05 0.00 0.00 27.48 27.57 2k5h h GLN 54 CO -0.00 1.17 -0.86 1.21 -1.50 0.00 0.00 178.83 178.85 2k5h s ASN 55 N -6.88 3.04 0.76 1.46 3.84 -1.22 -5.11 114.94 110.82 2k5h s ASN 55 Ca -0.18 -0.59 -0.12 0.00 0.21 0.00 0.00 52.86 52.18 2k5h s ASN 55 Cb 0.02 -1.41 0.05 0.00 -0.55 0.00 0.00 41.25 39.36 2k5h s ASN 55 CO 0.77 0.06 1.11 -0.44 -2.79 0.00 0.00 177.10 175.81 2k5h s SER 56 N 0.89 4.44 0.00 -4.21 0.01 -1.26 -1.76 113.70 111.81 2k5h s SER 56 Ca -0.06 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2k5h s SER 56 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2k5h s SER 56 CO -0.03 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.15 2k5h n GLY 57 N -0.73 6.42 3.28 3.44 0.00 0.43 -4.76 105.19 113.26 2k5h n GLY 57 Ca 0.10 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 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 2.06 0.10 0.99 1.43 -1.18 -1.01 118.68 121.07 2k5h s LEU 58 Ca 0.00 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2k5h s LEU 58 Cb 0.00 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2k5h s LEU 58 CO 0.00 0.27 -0.14 0.68 0.23 0.00 0.00 176.35 177.39 2k5h s VAL 59 N -0.33 1.23 -0.23 -1.59 -7.23 0.17 0.23 120.40 112.66 2k5h s VAL 59 Ca 0.02 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 2k5h s VAL 59 Cb -0.12 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2k5h s VAL 59 CO 0.02 -0.34 0.40 -0.75 -0.31 0.00 0.00 175.10 174.11 2k5h s LYS 60 N -2.30 4.11 -0.23 4.82 2.20 -0.23 -0.08 119.74 128.02 2k5h s LYS 60 Ca 0.04 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.82 2k5h s LYS 60 Cb -0.07 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 2k5h s LYS 60 CO 0.02 -0.14 -0.06 0.08 -0.36 0.00 0.00 175.35 174.89 2k5h s VAL 61 N 1.64 1.60 0.00 4.02 1.01 0.25 -3.50 120.40 125.43 2k5h s VAL 61 Ca 0.18 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2k5h s VAL 61 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2k5h s VAL 61 CO 0.09 -0.07 0.00 -0.67 0.00 0.00 0.00 175.10 174.44 2k5h n ASP 62 N 4.65 0.00 0.00 3.32 4.64 -1.26 -1.56 116.55 126.33 2k5h n ASP 62 Ca -0.12 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.29 2k5h n ASP 62 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.52 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2k5h n GLY 63 N 0.00 -0.89 3.47 0.27 0.00 -1.26 -5.10 105.19 101.68 2k5h n GLY 63 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 1.68 -0.36 1.61 2.02 -0.60 -5.11 118.70 117.94 2k5h s GLU 64 Ca 0.00 -1.78 -0.12 0.00 0.02 0.00 0.00 54.97 53.09 2k5h s GLU 64 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.49 2k5h s GLU 64 CO 0.00 0.30 0.23 0.99 0.02 0.00 0.00 175.26 176.80 2k5h s THR 65 N -2.54 4.98 0.31 3.63 2.01 -1.26 -0.59 115.64 122.18 2k5h s THR 65 Ca 0.30 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.87 2k5h s THR 65 Cb -0.04 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2k5h s THR 65 CO 0.15 -0.11 0.30 0.26 -0.69 0.00 0.00 174.62 174.53 2k5h s TRP 66 N 1.65 3.03 0.12 4.92 0.52 0.89 -4.89 118.94 125.19 2k5h s TRP 66 Ca 0.05 -0.22 -0.14 0.00 0.02 0.00 0.00 56.10 55.81 2k5h s TRP 66 Cb -0.18 -1.70 -0.07 0.00 -1.15 0.00 0.00 33.47 30.37 2k5h s TRP 66 CO 0.09 0.27 0.52 1.03 0.02 0.00 0.00 176.95 178.87 2k5h s ARG 67 N -3.98 3.95 -0.05 4.98 3.00 -1.26 -0.65 118.95 124.94 2k5h s ARG 67 Ca 0.39 0.45 -0.05 0.00 0.00 0.00 0.00 55.73 56.51 2k5h s ARG 67 Cb -0.07 -2.98 0.01 0.00 0.00 0.00 0.00 34.95 31.91 2k5h s ARG 67 CO 0.27 0.52 0.14 0.00 0.00 0.00 0.00 175.30 176.23 2k5h s ALA 68 N -1.41 -0.35 0.27 2.13 0.00 -0.18 -0.18 121.76 122.05 2k5h s ALA 68 Ca 0.36 0.39 0.11 0.00 0.00 0.00 0.00 51.96 52.82 2k5h s ALA 68 Cb -0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2k5h s ALA 68 CO 0.19 -0.07 -0.15 0.99 0.00 0.00 0.00 175.76 176.71 2k5h s THR 69 N 0.04 2.71 0.31 0.00 2.01 0.60 -0.43 115.64 120.89 2k5h s THR 69 Ca -0.00 -2.27 -0.19 0.00 0.31 0.00 0.00 61.69 59.54 2k5h s THR 69 Cb -0.01 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 70.10 2k5h s THR 69 CO 0.00 -0.38 0.74 -0.55 -0.69 0.00 0.00 174.62 173.74 2k5h s SER 70 N -3.51 -0.17 0.00 3.53 0.15 -1.26 -2.09 113.70 110.36 2k5h s SER 70 Ca 0.30 -0.79 0.23 0.00 0.70 0.00 0.00 55.95 56.39 2k5h s SER 70 Cb -0.05 0.77 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 2k5h s SER 70 CO 0.16 -1.45 1.12 0.61 1.20 0.00 0.00 173.24 174.88 2k5h n GLY 71 N -0.48 0.23 3.50 9.45 0.00 -1.26 -3.54 105.19 113.09 2k5h n GLY 71 Ca -0.05 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.38 1.82 -0.34 2.61 2.01 -1.26 -4.80 115.64 113.30 2k5h s THR 72 Ca 0.20 -2.10 -0.21 0.00 0.31 0.00 0.00 61.69 59.88 2k5h s THR 72 Cb 0.18 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2k5h s THR 72 CO 0.52 -0.17 0.69 -0.69 -0.69 0.00 0.00 174.62 174.28 2k5h s VAL 73 N -2.88 4.85 -0.20 3.82 1.01 -1.26 -4.43 120.40 121.31 2k5h s VAL 73 Ca 0.32 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 2k5h s VAL 73 Cb 0.05 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2k5h s VAL 73 CO 0.15 -0.29 0.05 -0.76 0.00 0.00 0.00 175.10 174.25 2k5h s LEU 74 N 2.80 3.58 0.39 3.92 1.43 0.30 -4.96 118.68 126.14 2k5h s LEU 74 Ca 0.27 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2k5h s LEU 74 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 2k5h s LEU 74 CO 0.14 0.10 0.56 -1.81 0.23 0.00 0.00 176.35 175.56 2k5h s ASP 75 N 0.83 5.87 -0.24 2.29 1.11 -1.26 -0.80 116.67 124.47 2k5h s ASP 75 Ca 0.03 -0.04 -0.29 0.00 0.18 0.00 0.00 52.55 52.43 2k5h s ASP 75 Cb -0.14 -1.28 -0.01 0.00 1.07 0.00 0.00 42.92 42.56 2k5h s ASP 75 CO 0.02 -0.57 1.40 -0.69 1.18 0.00 0.00 175.17 176.51 2k5h s VAL 76 N -2.34 4.01 0.00 -1.27 1.01 -1.26 -2.52 120.40 118.03 2k5h s VAL 76 Ca 0.47 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2k5h s VAL 76 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2k5h s VAL 76 CO 0.34 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2k5h n GLY 77 N 4.29 1.83 3.79 4.51 0.00 -0.75 -5.03 105.19 113.83 2k5h n GLY 77 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.31 -0.05 1.61 0.41 -1.05 -4.82 118.70 116.10 2k5h s GLU 78 Ca 0.00 0.36 0.06 0.00 -0.41 0.00 0.00 54.97 54.98 2k5h s GLU 78 Cb 0.00 -1.85 -0.01 0.00 -1.78 0.00 0.00 34.13 30.49 2k5h s GLU 78 CO 0.00 -2.10 -0.23 -1.21 -0.49 0.00 0.00 175.26 171.23 2k5h s GLU 79 N -5.25 2.37 0.14 1.61 2.02 -1.26 -1.00 118.70 117.33 2k5h s GLU 79 Ca 0.63 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.85 2k5h s GLU 79 Cb -0.15 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2k5h s GLU 79 CO 0.54 0.34 -0.14 0.14 0.02 0.00 0.00 175.26 176.16 2k5h s VAL 80 N -0.10 1.38 -0.07 2.63 -7.23 0.37 -1.77 120.40 115.60 2k5h s VAL 80 Ca -0.04 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2k5h s VAL 80 Cb -0.13 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2k5h s VAL 80 CO 0.03 -0.49 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.77 2k5h s SER 81 N -2.71 4.20 -0.36 4.85 0.01 -0.11 0.64 113.70 120.23 2k5h s SER 81 Ca 0.12 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 2k5h s SER 81 Cb -0.03 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 65.11 2k5h s SER 81 CO 0.03 0.31 1.09 -0.69 0.41 0.00 0.00 173.24 174.39 2k5h s VAL 82 N -0.49 4.43 -0.09 3.43 1.01 -0.49 -2.03 120.40 126.18 2k5h s VAL 82 Ca 0.07 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 2k5h s VAL 82 Cb -0.12 -4.46 -0.17 0.00 0.00 0.00 0.00 36.38 31.63 2k5h s VAL 82 CO 0.02 -0.62 0.69 0.11 0.00 0.00 0.00 175.10 175.30 2k5h h LYS 83 N 8.39 -0.08 -3.12 2.72 1.79 -1.04 -1.51 116.57 123.72 2k5h h LYS 83 Ca -0.21 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 2k5h h LYS 83 Cb 1.06 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2k5h h LYS 83 CO 1.06 0.48 0.23 0.00 -1.08 0.00 0.00 179.45 180.14 2k5h s ALA 84 N -2.97 -0.52 -0.09 3.86 0.00 -1.13 -4.61 121.76 116.30 2k5h s ALA 84 Ca -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2k5h s ALA 84 Cb -0.01 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2k5h s ALA 84 CO 0.47 -0.96 -0.20 0.42 0.00 0.00 0.00 175.76 175.49 2k5h s ILE 85 N -2.19 2.46 -0.94 0.00 1.01 -1.26 -0.22 121.20 120.07 2k5h s ILE 85 Ca 0.18 -0.89 0.15 0.00 0.00 0.00 0.00 60.65 60.08 2k5h s ILE 85 Cb -0.05 -1.96 0.47 0.00 0.01 0.00 0.00 42.46 40.93 2k5h s ILE 85 CO 0.13 0.56 1.39 -1.84 0.00 0.00 0.00 174.94 175.18 2k5h n GLU 86 N 3.24 3.03 0.00 2.79 0.28 -0.63 -4.92 120.64 124.44 2k5h n GLU 86 Ca -0.18 -2.43 0.00 0.00 -0.16 0.00 0.00 57.16 54.38 2k5h n GLU 86 Cb 0.53 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k5h n GLY 87 N 0.57 0.78 0.09 -1.84 0.00 -1.26 -4.70 105.19 98.82 2k5h n GLY 87 Ca 0.18 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2k5h n GLY 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k5h n VAL 88 N 0.00 0.00 -4.39 1.61 3.14 -1.26 -4.87 118.33 112.57 2k5h n VAL 88 Ca 0.00 -0.05 -0.24 0.00 -2.96 0.00 0.00 64.34 61.10 2k5h n VAL 88 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k5h s LYS 89 N -2.70 1.97 0.05 1.45 1.02 -1.26 -4.46 119.74 115.82 2k5h s LYS 89 Ca 0.21 -1.61 0.03 0.00 0.02 0.00 0.00 55.97 54.63 2k5h s LYS 89 Cb 0.19 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 2k5h s LYS 89 CO 0.55 0.34 0.01 -0.51 -0.92 0.00 0.00 175.35 174.82 2k5h s LEU 90 N -3.59 3.54 -0.54 3.17 1.43 0.75 -1.60 118.68 121.84 2k5h s LEU 90 Ca 0.31 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2k5h s LEU 90 Cb -0.06 -2.18 0.12 0.00 0.03 0.00 0.00 46.19 44.11 2k5h s LEU 90 CO 0.17 0.22 0.53 -0.69 0.23 0.00 0.00 176.35 176.81 2k5h s VAL 91 N -1.24 5.13 0.22 -1.59 1.01 0.70 -0.29 120.40 124.34 2k5h s VAL 91 Ca 0.24 -1.35 0.11 0.00 0.00 0.00 0.00 61.98 60.98 2k5h s VAL 91 Cb -0.12 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2k5h s VAL 91 CO 0.16 -0.89 -0.17 0.68 0.00 0.00 0.00 175.10 174.88 2k5h s VAL 92 N 1.83 2.72 0.05 2.92 -7.23 -0.89 -0.35 120.40 119.45 2k5h s VAL 92 Ca 0.05 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2k5h s VAL 92 Cb -0.28 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2k5h s VAL 92 CO 0.04 -0.21 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.97 2k5h s GLU 93 N -3.02 0.58 0.38 4.82 2.02 -0.86 -4.35 118.70 118.27 2k5h s GLU 93 Ca 0.25 -1.07 -0.26 0.00 0.02 0.00 0.00 54.97 53.91 2k5h s GLU 93 Cb -0.07 0.08 -0.09 0.00 0.10 0.00 0.00 34.13 34.15 2k5h s GLU 93 CO 0.14 -0.07 1.20 0.21 0.02 0.00 0.00 175.26 176.75 2k5h s LYS 94 N -3.19 4.12 0.50 1.61 2.20 -1.26 -0.93 119.74 122.80 2k5h s LYS 94 Ca 0.01 1.92 -0.21 0.00 -0.36 0.00 0.00 55.97 57.34 2k5h s LYS 94 Cb 0.02 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.48 2k5h s LYS 94 CO -0.06 -0.28 0.76 1.28 -0.36 0.00 0.00 175.35 176.69 2k5h n LEU 95 N 0.26 1.77 -4.73 5.43 4.32 -0.73 -4.79 117.00 118.53 2k5h n LEU 95 Ca 0.03 0.87 -0.32 0.00 -0.02 0.00 0.00 56.01 56.58 2k5h n LEU 95 Cb 0.45 -1.26 0.11 0.00 -1.62 0.00 0.00 43.42 41.11 2k5h n LEU 95 CO 0.53 -2.31 0.71 -1.83 -1.22 0.00 0.00 177.39 173.26 2k5h s GLU 96 N -2.11 1.89 0.15 3.23 -1.05 -1.26 -4.95 118.70 114.61 2k5h s GLU 96 Ca 0.68 1.38 -0.31 0.00 -0.15 0.00 0.00 54.97 56.56 2k5h s GLU 96 Cb -0.50 -1.84 -0.10 0.00 -0.44 0.00 0.00 34.13 31.25 2k5h s GLU 96 CO 0.54 -1.95 1.63 -1.21 0.95 0.00 0.00 175.26 175.22 2k5h s GLU 97 N -4.64 4.19 0.00 -4.83 8.01 -1.26 -4.88 118.70 115.29 2k5h s GLU 97 Ca 0.65 2.41 0.16 0.00 0.01 0.00 0.00 54.97 58.19 2k5h s GLU 97 Cb -0.21 -3.27 0.69 0.00 -4.31 0.00 0.00 34.13 27.04 2k5h s GLU 97 CO 0.54 -0.67 1.49 1.04 0.01 0.00 0.00 175.26 177.66 2k5h n GLN 98 N 4.45 0.05 -2.36 1.61 6.02 -1.26 -3.38 117.38 122.52 2k5h n GLN 98 Ca 0.15 0.21 -0.02 0.00 -0.01 0.00 0.00 57.00 57.33 2k5h n GLN 98 Cb 0.38 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.24 2k5h n GLN 98 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k5h n LYS 99 N -1.45 1.07 0.00 -1.09 4.81 -1.26 -5.11 118.16 115.13 2k5h n LYS 99 Ca 0.05 -1.04 0.00 0.00 -0.87 0.00 0.00 58.31 56.45 2k5h n LYS 99 Cb 0.17 0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.61 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 -1.22 1.13 0.00 3.14 0.00 -1.22 -5.31 105.19 101.71 2k5h n GLY 100 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76