#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 1.79 -0.00 3.17 0.00 -1.26 -4.99 107.32 106.03 2k5h s GLY 2 Ca 0.00 -2.12 -0.21 0.00 0.00 0.00 0.00 44.72 42.39 2k5h s GLY 2 CO 0.00 0.76 1.15 1.76 0.00 0.00 0.00 173.10 176.77 2k5h h SER 3 N 7.70 0.41 1.45 1.64 0.02 -1.98 -2.58 113.55 120.20 2k5h h SER 3 Ca -0.12 -0.69 -0.09 0.00 -0.84 0.00 0.00 61.79 60.05 2k5h h SER 3 Cb 1.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2k5h h SER 3 CO 0.49 1.03 -0.42 0.28 -1.14 0.00 0.00 176.83 177.07 2k5h h SER 4 N -0.19 0.00 -1.38 3.07 0.02 -1.94 -3.42 113.55 109.71 2k5h h SER 4 Ca -0.03 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 2k5h h SER 4 Cb 1.05 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.34 2k5h h SER 4 CO 0.07 0.42 -0.49 -1.38 -1.14 0.00 0.00 176.83 174.32 2k5h s HIS 5 N -3.08 -1.33 0.10 3.45 0.00 -1.23 -4.63 115.29 108.57 2k5h s HIS 5 Ca 0.04 0.40 0.08 0.00 -3.00 0.00 0.00 55.06 52.58 2k5h s HIS 5 Cb 0.08 0.05 -0.17 0.00 -4.00 0.00 0.00 32.58 28.54 2k5h s HIS 5 CO 0.72 -1.05 1.31 1.25 -1.00 0.00 0.00 174.74 175.97 2k5h h HIS 6 N 7.75 0.00 0.00 0.38 6.17 -0.42 -3.39 115.15 125.64 2k5h h HIS 6 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.06 2k5h h HIS 6 Cb 1.15 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2k5h h HIS 6 CO 0.25 0.94 0.00 1.58 0.71 0.00 0.00 177.93 181.41 2k5h n HIS 7 N -3.35 0.00 -3.09 5.26 -0.00 -1.26 -4.85 115.22 107.93 2k5h n HIS 7 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2k5h n HIS 7 Cb 0.91 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.85 2k5h n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5h n HIS 8 N 0.00 3.85 0.00 1.57 -0.00 -1.26 -4.98 115.22 114.40 2k5h n HIS 8 Ca 0.00 -3.97 0.00 0.00 -0.00 0.00 0.00 57.72 53.75 2k5h n HIS 8 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.44 2k5h n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5h n HIS 9 N 0.16 0.00 0.00 1.57 -0.00 -1.26 -4.31 115.22 111.38 2k5h n HIS 9 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2k5h n HIS 9 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2k5h n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5h n HIS 10 N 0.00 0.00 -3.62 4.41 -0.00 -1.26 -0.59 115.22 114.15 2k5h n HIS 10 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 2k5h n HIS 10 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2k5h n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k5h s SER 11 N 1.00 -0.10 -0.67 0.41 0.15 -1.26 -4.80 113.70 108.44 2k5h s SER 11 Ca 0.00 0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 2k5h s SER 11 Cb 0.00 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 2k5h s SER 11 CO 0.00 -0.12 1.23 -0.44 1.20 0.00 0.00 173.24 175.12 2k5h s SER 12 N -1.46 6.28 -0.02 5.45 0.01 -1.26 -4.86 113.70 117.84 2k5h s SER 12 Ca 0.08 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 2k5h s SER 12 Cb -0.01 -2.55 -0.27 0.00 0.21 0.00 0.00 66.02 63.40 2k5h s SER 12 CO -0.05 -1.67 0.76 1.23 0.41 0.00 0.00 173.24 173.91 2k5h h GLY 13 N 12.51 0.24 -7.61 3.44 0.00 -2.05 -3.41 103.07 106.18 2k5h h GLY 13 Ca -0.27 -0.62 -0.57 0.00 0.00 0.00 0.00 47.33 45.88 2k5h h GLY 13 CO 1.24 0.54 1.76 0.50 0.00 0.00 0.00 176.54 180.58 2k5h s ARG 14 N -2.61 3.52 -0.01 4.80 0.52 -1.26 -4.33 118.95 119.58 2k5h s ARG 14 Ca -0.10 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 53.54 2k5h s ARG 14 Cb 0.07 -5.42 0.02 0.00 0.52 0.00 0.00 34.95 30.14 2k5h s ARG 14 CO 0.83 -2.68 0.97 -1.91 0.02 0.00 0.00 175.30 172.53 2k5h n GLU 15 N 8.48 0.11 -2.36 3.54 2.13 -1.26 -5.03 120.64 126.25 2k5h n GLU 15 Ca 0.45 -1.07 -0.39 0.00 0.66 0.00 0.00 57.16 56.81 2k5h n GLU 15 Cb 0.47 -0.57 -0.03 0.00 0.27 0.00 0.00 31.44 31.58 2k5h n GLU 15 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2k5h s ASN 16 N -1.05 5.87 -0.16 4.31 3.84 -1.26 -4.78 114.94 121.71 2k5h s ASN 16 Ca 0.02 -0.41 0.17 0.00 0.21 0.00 0.00 52.86 52.85 2k5h s ASN 16 Cb 0.02 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.56 2k5h s ASN 16 CO 0.00 -2.02 1.27 0.00 -2.79 0.00 0.00 177.10 173.56 2k5h n LEU 17 N 10.68 3.02 -3.90 3.21 -0.00 -1.26 -4.86 117.00 123.90 2k5h n LEU 17 Ca 0.16 -3.12 -0.29 0.00 -0.00 0.00 0.00 56.01 52.76 2k5h n LEU 17 Cb 0.50 -0.49 -0.13 0.00 -0.00 0.00 0.00 43.42 43.30 2k5h n LEU 17 CO 0.69 0.75 -0.14 -0.47 -0.00 0.00 0.00 177.39 178.22 2k5h s TYR 18 N -2.89 3.15 -0.02 1.47 5.04 -1.26 -4.72 117.35 118.12 2k5h s TYR 18 Ca 0.37 -3.15 0.04 0.00 -2.44 0.00 0.00 57.07 51.89 2k5h s TYR 18 Cb 0.31 -2.65 0.07 0.00 0.35 0.00 0.00 41.96 40.04 2k5h s TYR 18 CO 0.05 -0.68 1.03 0.34 -1.34 0.00 0.00 175.55 174.95 2k5h n PHE 19 N 2.75 0.00 -2.44 4.97 7.35 -1.26 -5.06 117.46 123.77 2k5h n PHE 19 Ca 0.11 -0.20 -0.43 0.00 -0.76 0.00 0.00 57.45 56.17 2k5h n PHE 19 Cb 0.34 -0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.07 2k5h n PHE 19 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2k5h s GLN 20 N -0.53 3.57 0.00 -4.13 2.00 -1.26 -4.59 119.66 114.71 2k5h s GLN 20 Ca 0.07 0.71 0.00 0.00 -2.00 0.00 0.00 55.36 54.14 2k5h s GLN 20 Cb 0.07 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.87 2k5h s GLN 20 CO -0.00 -1.58 0.00 0.41 -0.50 0.00 0.00 175.29 173.62 2k5h n GLY 21 N 5.05 1.05 2.61 2.59 0.00 -1.26 -5.10 105.19 110.13 2k5h n GLY 21 Ca 0.14 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 2k5h n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5h s HIS 22 N 0.00 0.11 -0.04 1.61 5.04 -1.26 -5.11 115.29 115.64 2k5h s HIS 22 Ca 0.00 -0.85 -0.02 0.00 -1.54 0.00 0.00 55.06 52.65 2k5h s HIS 22 Cb 0.00 -0.71 0.03 0.00 0.04 0.00 0.00 32.58 31.94 2k5h s HIS 22 CO 0.00 -0.88 0.06 1.41 -2.34 0.00 0.00 174.74 172.99 2k5h s MET 23 N 1.83 -0.07 0.41 2.88 0.00 -1.26 -5.16 119.30 117.93 2k5h s MET 23 Ca 0.12 0.36 0.08 0.00 0.00 0.00 0.00 55.69 56.25 2k5h s MET 23 Cb -0.17 -0.49 -0.03 0.00 0.00 0.00 0.00 34.83 34.14 2k5h s MET 23 CO -0.22 -0.31 0.30 0.00 0.00 0.00 0.00 175.02 174.79 2k5h s ALA 24 N 2.07 3.88 -1.09 4.11 0.00 -1.26 -4.69 121.76 124.77 2k5h s ALA 24 Ca 0.04 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.01 2k5h s ALA 24 Cb -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2k5h s ALA 24 CO -0.03 -0.19 0.93 0.00 0.00 0.00 0.00 175.76 176.47 2k5h n ALA 25 N -1.43 -1.53 -3.70 0.00 0.00 -1.26 -5.03 120.51 107.57 2k5h n ALA 25 Ca 0.02 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2k5h n ALA 25 Cb 0.63 -3.15 -0.14 0.00 0.00 0.00 0.00 19.45 16.79 2k5h n ALA 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k5h s ARG 26 N -5.53 0.15 -0.35 0.00 6.06 -1.26 -5.13 118.95 112.89 2k5h s ARG 26 Ca 0.19 0.60 -0.16 0.00 -2.50 0.00 0.00 55.73 53.86 2k5h s ARG 26 Cb -0.08 -0.12 -0.01 0.00 0.06 0.00 0.00 34.95 34.81 2k5h s ARG 26 CO 0.63 -0.23 0.42 0.42 -2.50 0.00 0.00 175.30 174.04 2k5h s ILE 27 N 1.83 5.11 -0.14 4.11 1.01 -1.26 -5.06 121.20 126.80 2k5h s ILE 27 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 2k5h s ILE 27 Cb -0.11 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2k5h s ILE 27 CO -0.08 -0.16 0.21 0.28 0.00 0.00 0.00 174.94 175.19 2k5h s THR 28 N 2.14 5.37 -0.11 2.92 -1.32 -1.26 -5.00 115.64 118.39 2k5h s THR 28 Ca 0.14 0.36 -0.06 0.00 -1.21 0.00 0.00 61.69 60.92 2k5h s THR 28 Cb -0.16 -3.51 -0.05 0.00 -1.51 0.00 0.00 72.50 67.27 2k5h s THR 28 CO 0.12 0.51 -0.15 0.61 -2.21 0.00 0.00 174.62 173.50 2k5h n GLY 29 N 2.76 -0.19 2.98 6.08 0.00 -1.26 -4.90 105.19 110.66 2k5h n GLY 29 Ca -0.16 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.22 2.40 0.37 1.61 8.01 -1.26 -4.96 118.70 122.64 2k5h s GLU 30 Ca -0.16 -2.92 0.02 0.00 0.01 0.00 0.00 54.97 51.92 2k5h s GLU 30 Cb 0.06 -3.51 -0.02 0.00 -4.31 0.00 0.00 34.13 26.35 2k5h s GLU 30 CO 0.20 -1.20 0.56 -1.25 0.01 0.00 0.00 175.26 173.59 2k5h s PRO 31 N -0.75 3.29 0.05 0.39 0.04 -1.26 -5.03 135.00 131.73 2k5h s PRO 31 Ca 0.21 -0.52 -0.16 0.00 0.04 0.00 0.00 61.00 60.57 2k5h s PRO 31 Cb -0.16 -2.67 -0.26 0.00 0.04 0.00 0.00 34.50 31.45 2k5h s PRO 31 CO -0.07 0.02 1.12 0.77 0.04 0.00 0.00 177.00 178.89 2k5h h SER 32 N 0.69 0.80 -3.87 6.66 0.02 -2.04 -3.45 113.55 112.36 2k5h h SER 32 Ca -0.48 -0.78 -0.48 0.00 -0.84 0.00 0.00 61.79 59.21 2k5h h SER 32 Cb 1.24 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2k5h h SER 32 CO 0.59 1.48 0.20 -0.75 -1.14 0.00 0.00 176.83 177.21 2k5h s LYS 33 N -3.14 4.04 0.36 3.45 2.47 -1.26 -5.00 119.74 120.65 2k5h s LYS 33 Ca -0.11 0.80 -0.28 0.00 -1.56 0.00 0.00 55.97 54.83 2k5h s LYS 33 Cb 0.05 -2.32 -0.12 0.00 -1.46 0.00 0.00 37.83 33.98 2k5h s LYS 33 CO 0.90 0.04 1.36 1.63 0.16 0.00 0.00 175.35 179.43 2k5h n LYS 34 N -0.68 2.30 -2.87 4.03 5.02 -1.26 -5.01 118.16 119.69 2k5h n LYS 34 Ca 0.05 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 2k5h n LYS 34 Cb 0.54 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.08 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h n ALA 35 N 0.33 0.17 0.68 7.82 0.00 -1.26 -5.04 120.51 123.22 2k5h n ALA 35 Ca 0.04 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.78 2k5h n ALA 35 Cb 0.37 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 2k5h n ALA 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2k5h n VAL 36 N -0.52 0.07 -1.44 0.00 3.14 -1.26 -5.08 118.33 113.25 2k5h n VAL 36 Ca -0.07 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2k5h n VAL 36 Cb 0.23 0.46 0.00 0.00 -1.06 0.00 0.00 33.84 33.47 2k5h n VAL 36 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k5h n SER 37 N -1.79 -7.52 0.00 6.55 7.64 -1.26 -4.72 113.62 112.52 2k5h n SER 37 Ca 0.02 1.01 0.14 0.00 1.01 0.00 0.00 58.87 61.05 2k5h n SER 37 Cb 0.41 -3.60 0.73 0.00 -1.01 0.00 0.00 64.21 60.73 2k5h n SER 37 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k5h n ASP 38 N 0.45 0.00 0.25 6.43 5.75 -1.26 -3.17 116.55 125.00 2k5h n ASP 38 Ca 0.00 -0.28 0.16 0.00 -0.01 0.00 0.00 54.79 54.66 2k5h n ASP 38 Cb 0.00 -0.22 0.65 0.00 -1.03 0.00 0.00 41.12 40.52 2k5h n ASP 38 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2k5h h ARG 39 N 0.00 0.00 0.00 0.11 2.43 -2.02 -2.48 114.38 112.42 2k5h h ARG 39 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2k5h h ARG 39 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k5h h ARG 39 CO 0.00 0.00 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.32 2k5h h LEU 40 N 0.00 0.00 -9.17 3.80 3.38 -1.83 -3.43 115.31 108.06 2k5h h LEU 40 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2k5h h LEU 40 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2k5h h LEU 40 CO 0.00 0.07 1.07 -0.63 0.09 0.00 0.00 178.44 179.03 2k5h s ILE 41 N -3.67 3.74 0.00 1.22 -1.09 -0.94 -1.96 121.20 118.50 2k5h s ILE 41 Ca 0.01 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2k5h s ILE 41 Cb 0.09 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2k5h s ILE 41 CO 0.57 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 2k5h n GLY 42 N 4.21 0.81 3.82 6.18 0.00 0.26 -5.03 105.19 115.44 2k5h n GLY 42 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.93 2.93 0.40 1.61 1.81 -0.83 -4.94 118.95 119.01 2k5h s ARG 43 Ca 0.00 -1.00 -0.08 0.00 -1.72 0.00 0.00 55.73 52.93 2k5h s ARG 43 Cb 0.00 -2.59 -0.05 0.00 -0.45 0.00 0.00 34.95 31.85 2k5h s ARG 43 CO 0.00 0.42 0.73 0.21 -0.68 0.00 0.00 175.30 175.98 2k5h s LYS 44 N -3.64 3.69 0.14 3.54 2.20 -1.26 -1.51 119.74 122.89 2k5h s LYS 44 Ca 0.32 0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 56.12 2k5h s LYS 44 Cb -0.08 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2k5h s LYS 44 CO 0.25 -0.02 0.32 0.20 -0.36 0.00 0.00 175.35 175.73 2k5h s GLY 45 N -3.38 0.08 0.00 5.54 0.00 0.11 -4.82 107.32 104.84 2k5h s GLY 45 Ca 0.49 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.76 2k5h s GLY 45 CO 0.34 -0.60 -0.10 0.54 0.00 0.00 0.00 173.10 173.28 2k5h s VAL 46 N -3.88 3.37 -0.31 1.40 0.11 -0.85 0.48 120.40 120.72 2k5h s VAL 46 Ca 0.08 -0.85 -0.23 0.00 -2.93 0.00 0.00 61.98 58.06 2k5h s VAL 46 Cb 0.03 -2.43 -0.00 0.00 -1.53 0.00 0.00 36.38 32.44 2k5h s VAL 46 CO -0.07 0.42 0.75 -0.69 -3.33 0.00 0.00 175.10 172.18 2k5h s VAL 47 N -0.93 4.82 -0.11 2.04 1.01 0.74 0.03 120.40 128.00 2k5h s VAL 47 Ca 0.16 1.07 0.20 0.00 0.00 0.00 0.00 61.98 63.40 2k5h s VAL 47 Cb -0.11 -4.12 -0.29 0.00 0.00 0.00 0.00 36.38 31.86 2k5h s VAL 47 CO 0.06 -0.25 0.28 0.23 0.00 0.00 0.00 175.10 175.42 2k5h n MET 48 N 6.16 0.71 -4.48 2.72 2.81 0.61 -0.47 117.12 125.19 2k5h n MET 48 Ca 0.03 -0.11 -0.22 0.00 -1.81 0.00 0.00 57.70 55.59 2k5h n MET 48 Cb 0.48 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 31.33 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 -3.01 1.24 0.17 0.03 2.56 -0.78 -4.87 118.70 114.04 2k5h s GLU 49 Ca -0.09 -0.36 -0.33 0.00 0.00 0.00 0.00 54.97 54.19 2k5h s GLU 49 Cb 0.10 -1.11 -0.14 0.00 2.00 0.00 0.00 34.13 34.98 2k5h s GLU 49 CO 0.85 0.10 1.56 0.00 -0.56 0.00 0.00 175.26 177.20 2k5h n ALA 50 N 3.46 1.35 -2.86 6.30 0.00 -1.26 -2.30 120.51 125.21 2k5h n ALA 50 Ca -0.20 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2k5h n ALA 50 Cb 0.53 -2.34 -0.11 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 0.77 4.54 0.30 0.00 1.01 0.18 -3.91 121.20 124.08 2k5h s ILE 51 Ca 0.77 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.75 2k5h s ILE 51 Cb -0.67 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2k5h s ILE 51 CO 0.40 -0.15 0.14 -0.94 0.00 0.00 0.00 174.94 174.38 2k5h s SER 52 N 1.56 4.91 0.66 3.58 1.04 -0.13 -1.17 113.70 124.15 2k5h s SER 52 Ca 0.03 -0.59 0.40 0.00 0.48 0.00 0.00 55.95 56.27 2k5h s SER 52 Cb -0.19 -0.94 2.23 0.00 0.10 0.00 0.00 66.02 67.23 2k5h s SER 52 CO 0.06 -0.17 2.29 -0.65 0.98 0.00 0.00 173.24 175.76 2k5h h PRO 53 N 1.58 0.00 0.00 4.02 0.11 -1.89 -3.21 132.00 132.61 2k5h h PRO 53 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k5h h PRO 53 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k5h h PRO 53 CO 0.61 0.00 -0.66 0.94 -0.21 0.00 0.00 178.00 178.68 2k5h n GLN 54 N -3.19 0.45 -4.60 1.05 7.27 -1.26 -5.00 117.38 112.10 2k5h n GLN 54 Ca -0.03 0.37 -0.31 0.00 0.07 0.00 0.00 57.00 57.10 2k5h n GLN 54 Cb 0.12 -1.51 -0.12 0.00 2.41 0.00 0.00 30.24 31.15 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k5h s ASN 55 N -5.64 4.17 1.00 1.69 3.84 -1.21 -5.12 114.94 113.67 2k5h s ASN 55 Ca -0.19 -0.28 -0.15 0.00 0.21 0.00 0.00 52.86 52.44 2k5h s ASN 55 Cb 0.03 -0.83 0.19 0.00 -0.55 0.00 0.00 41.25 40.09 2k5h s ASN 55 CO 0.28 0.28 1.18 -0.44 -2.79 0.00 0.00 177.10 175.61 2k5h s SER 56 N -1.36 2.70 0.00 -4.21 0.01 -1.26 -0.95 113.70 108.62 2k5h s SER 56 Ca 0.15 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2k5h s SER 56 Cb -0.11 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2k5h s SER 56 CO 0.06 -3.03 0.00 0.61 0.41 0.00 0.00 173.24 171.29 2k5h n GLY 57 N -2.27 6.04 3.03 3.44 0.00 0.27 -4.67 105.19 111.02 2k5h n GLY 57 Ca 0.11 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 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 1.72 0.08 0.99 1.43 -0.97 -0.58 118.68 121.35 2k5h s LEU 58 Ca 0.00 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2k5h s LEU 58 Cb 0.00 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2k5h s LEU 58 CO 0.00 0.06 -0.20 0.68 0.23 0.00 0.00 176.35 177.13 2k5h s VAL 59 N 0.40 2.71 -0.22 -1.59 -7.23 -0.17 -0.28 120.40 114.01 2k5h s VAL 59 Ca -0.09 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2k5h s VAL 59 Cb -0.13 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 2k5h s VAL 59 CO 0.02 0.22 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.23 2k5h s LYS 60 N -1.78 3.32 -0.72 4.82 2.20 0.10 -0.60 119.74 127.08 2k5h s LYS 60 Ca 0.16 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 2k5h s LYS 60 Cb -0.10 -2.99 0.18 0.00 -1.51 0.00 0.00 37.83 33.41 2k5h s LYS 60 CO 0.07 -0.22 0.56 0.08 -0.36 0.00 0.00 175.35 175.49 2k5h s VAL 61 N 1.46 4.02 -0.70 4.02 1.01 0.21 -2.01 120.40 128.41 2k5h s VAL 61 Ca 0.05 -3.23 -0.10 0.00 0.00 0.00 0.00 61.98 58.70 2k5h s VAL 61 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2k5h s VAL 61 CO -0.04 -0.95 0.63 -0.67 0.00 0.00 0.00 175.10 174.07 2k5h n ASP 62 N 3.13 -5.69 0.00 3.32 2.03 -1.26 -2.50 116.55 115.58 2k5h n ASP 62 Ca 0.13 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.90 2k5h n ASP 62 Cb 0.38 -2.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.26 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 -1.25 2.70 3.73 0.27 0.00 -1.26 -5.01 105.19 104.36 2k5h n GLY 63 Ca -0.19 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.65 -0.25 1.61 0.41 -1.04 -5.03 118.70 119.05 2k5h s GLU 64 Ca 0.00 1.52 0.01 0.00 -0.41 0.00 0.00 54.97 56.10 2k5h s GLU 64 Cb 0.00 -3.36 0.05 0.00 -1.78 0.00 0.00 34.13 29.04 2k5h s GLU 64 CO 0.00 0.13 -0.10 0.99 -0.49 0.00 0.00 175.26 175.79 2k5h s THR 65 N 0.11 2.36 0.22 3.63 2.01 -1.26 0.68 115.64 123.39 2k5h s THR 65 Ca 0.49 -1.43 0.09 0.00 0.31 0.00 0.00 61.69 61.15 2k5h s THR 65 Cb -0.25 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2k5h s THR 65 CO 0.31 0.07 -0.06 0.26 -0.69 0.00 0.00 174.62 174.50 2k5h s TRP 66 N 1.18 2.64 0.18 4.92 0.52 0.23 -4.92 118.94 123.68 2k5h s TRP 66 Ca -0.05 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 2k5h s TRP 66 Cb -0.19 -1.23 -0.08 0.00 -1.15 0.00 0.00 33.47 30.83 2k5h s TRP 66 CO -0.05 0.58 1.16 1.03 0.02 0.00 0.00 176.95 179.68 2k5h s ARG 67 N -3.25 4.53 -0.00 4.98 3.00 -1.26 -1.00 118.95 125.95 2k5h s ARG 67 Ca 0.28 1.81 0.01 0.00 0.00 0.00 0.00 55.73 57.83 2k5h s ARG 67 Cb -0.07 -3.26 -0.00 0.00 0.00 0.00 0.00 34.95 31.62 2k5h s ARG 67 CO 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 175.30 175.41 2k5h s ALA 68 N -0.12 0.29 0.33 2.13 0.00 0.25 -1.02 121.76 123.63 2k5h s ALA 68 Ca 0.51 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.40 2k5h s ALA 68 Cb -0.31 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2k5h s ALA 68 CO 0.36 0.07 0.02 0.99 0.00 0.00 0.00 175.76 177.20 2k5h s THR 69 N -0.12 2.74 0.18 0.00 2.01 0.15 -0.57 115.64 120.03 2k5h s THR 69 Ca 0.01 -1.95 -0.23 0.00 0.31 0.00 0.00 61.69 59.83 2k5h s THR 69 Cb -0.02 -2.81 0.06 0.00 0.01 0.00 0.00 72.50 69.75 2k5h s THR 69 CO -0.00 -0.22 0.65 -0.55 -0.69 0.00 0.00 174.62 173.81 2k5h s SER 70 N -3.72 -0.48 0.00 3.53 0.15 -1.26 -0.68 113.70 111.24 2k5h s SER 70 Ca 0.35 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 57.09 2k5h s SER 70 Cb -0.01 0.61 0.42 0.00 -1.71 0.00 0.00 66.02 65.34 2k5h s SER 70 CO 0.20 -1.03 1.40 0.61 1.20 0.00 0.00 173.24 175.62 2k5h n GLY 71 N -0.39 1.65 3.59 9.45 0.00 -1.26 -4.85 105.19 113.39 2k5h n GLY 71 Ca -0.13 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.54 2.25 -0.36 2.61 2.01 -1.26 -5.01 115.64 114.34 2k5h s THR 72 Ca 0.38 -2.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.09 2k5h s THR 72 Cb 0.23 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.95 2k5h s THR 72 CO 0.32 -0.14 0.67 -0.69 -0.69 0.00 0.00 174.62 174.09 2k5h s VAL 73 N -2.62 4.86 -0.16 3.82 1.01 -1.26 -4.62 120.40 121.43 2k5h s VAL 73 Ca 0.34 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.99 2k5h s VAL 73 Cb 0.04 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2k5h s VAL 73 CO 0.18 -0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 173.98 2k5h s LEU 74 N 2.78 2.11 0.75 3.92 1.43 -0.31 -5.03 118.68 124.33 2k5h s LEU 74 Ca 0.26 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2k5h s LEU 74 Cb -0.14 -1.45 0.13 0.00 0.03 0.00 0.00 46.19 44.76 2k5h s LEU 74 CO 0.15 0.04 1.04 -0.62 0.23 0.00 0.00 176.35 177.19 2k5h s ASP 75 N 1.03 4.19 0.06 2.29 -1.08 -1.26 -0.65 116.67 121.25 2k5h s ASP 75 Ca -0.02 -0.24 -0.27 0.00 -0.52 0.00 0.00 52.55 51.50 2k5h s ASP 75 Cb -0.14 -0.11 -0.05 0.00 -1.46 0.00 0.00 42.92 41.15 2k5h s ASP 75 CO -0.07 -1.98 0.86 -0.69 0.52 0.00 0.00 175.17 173.82 2k5h s VAL 76 N -3.25 4.66 0.00 1.11 1.01 -1.26 -3.39 120.40 119.28 2k5h s VAL 76 Ca 0.67 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.50 2k5h s VAL 76 Cb -0.05 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2k5h s VAL 76 CO 0.46 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.49 2k5h n GLY 77 N 2.41 0.44 3.92 4.51 0.00 0.38 -5.03 105.19 111.83 2k5h n GLY 77 Ca 0.00 0.00 -0.28 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 -0.90 1.80 -0.05 1.61 0.41 -1.22 -4.79 118.70 115.56 2k5h s GLU 78 Ca 0.00 -0.14 0.05 0.00 -0.41 0.00 0.00 54.97 54.47 2k5h s GLU 78 Cb 0.00 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.32 2k5h s GLU 78 CO 0.00 -1.62 -0.22 -1.21 -0.49 0.00 0.00 175.26 171.72 2k5h s GLU 79 N -5.51 2.30 0.25 1.61 2.02 -1.26 -0.18 118.70 117.92 2k5h s GLU 79 Ca 0.64 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.86 2k5h s GLU 79 Cb -0.09 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2k5h s GLU 79 CO 0.48 0.33 0.14 1.33 0.02 0.00 0.00 175.26 177.56 2k5h n VAL 80 N 3.03 0.00 -3.99 2.63 0.24 0.18 -3.39 118.33 117.03 2k5h n VAL 80 Ca -0.18 -1.61 -0.13 0.00 -2.04 0.00 0.00 64.34 60.39 2k5h n VAL 80 Cb 0.52 0.68 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 2k5h n VAL 80 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k5h s SER 81 N -2.62 0.28 -0.35 -1.34 0.01 -0.81 0.04 113.70 108.90 2k5h s SER 81 Ca 0.19 -0.12 -0.25 0.00 1.31 0.00 0.00 55.95 57.08 2k5h s SER 81 Cb 0.01 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.24 2k5h s SER 81 CO 0.14 -0.03 0.87 -0.69 0.41 0.00 0.00 173.24 173.94 2k5h s VAL 82 N -0.29 4.65 -0.13 3.43 1.01 -0.57 -1.56 120.40 126.94 2k5h s VAL 82 Ca -0.02 1.14 0.14 0.00 0.00 0.00 0.00 61.98 63.24 2k5h s VAL 82 Cb -0.02 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.89 2k5h s VAL 82 CO -0.00 -0.46 0.09 0.29 0.00 0.00 0.00 175.10 175.01 2k5h n LYS 83 N 6.59 1.42 -4.01 2.72 5.02 0.27 -0.57 118.16 129.60 2k5h n LYS 83 Ca 0.06 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 2k5h n LYS 83 Cb 0.48 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h s ALA 84 N -2.45 0.17 -0.02 7.82 0.00 -0.92 -4.81 121.76 121.55 2k5h s ALA 84 Ca -0.07 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.76 2k5h s ALA 84 Cb 0.05 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.21 2k5h s ALA 84 CO 0.62 -0.85 -0.14 0.42 0.00 0.00 0.00 175.76 175.82 2k5h s ILE 85 N -3.24 1.14 -0.31 0.00 1.01 -1.26 0.14 121.20 118.67 2k5h s ILE 85 Ca 0.25 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 2k5h s ILE 85 Cb -0.01 -0.95 0.10 0.00 0.01 0.00 0.00 42.46 41.61 2k5h s ILE 85 CO 0.15 0.32 0.13 -0.70 0.00 0.00 0.00 174.94 174.84 2k5h s GLU 86 N -0.25 0.41 7.86 2.79 2.12 -0.21 -4.87 118.70 126.55 2k5h s GLU 86 Ca 0.04 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.56 2k5h s GLU 86 Cb -0.06 -1.46 0.00 0.00 0.26 0.00 0.00 34.13 32.86 2k5h s GLU 86 CO -0.00 -1.03 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 2k5h n GLY 87 N 4.98 3.01 0.93 -1.50 0.00 -1.26 -2.05 105.19 109.30 2k5h n GLY 87 Ca -0.03 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.11 -4.27 1.61 0.31 -1.26 -4.95 118.33 109.89 2k5h n VAL 88 Ca 0.00 -0.56 -0.25 0.00 -0.01 0.00 0.00 64.34 63.53 2k5h n VAL 88 Cb 0.00 1.36 -0.08 0.00 -0.91 0.00 0.00 33.84 34.21 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 -1.76 2.29 0.08 5.55 1.02 -0.87 -4.63 119.74 121.42 2k5h s LYS 89 Ca 0.28 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.99 2k5h s LYS 89 Cb 0.19 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2k5h s LYS 89 CO 0.28 0.40 0.20 -0.51 -0.92 0.00 0.00 175.35 174.80 2k5h s LEU 90 N -3.31 4.25 -0.50 3.17 1.43 -0.18 -1.04 118.68 122.50 2k5h s LEU 90 Ca 0.29 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 2k5h s LEU 90 Cb -0.08 -2.86 0.10 0.00 0.03 0.00 0.00 46.19 43.38 2k5h s LEU 90 CO 0.19 0.15 0.42 -0.69 0.23 0.00 0.00 176.35 176.65 2k5h s VAL 91 N -1.53 5.05 0.29 -1.59 1.01 0.12 0.34 120.40 124.09 2k5h s VAL 91 Ca 0.34 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2k5h s VAL 91 Cb -0.13 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2k5h s VAL 91 CO 0.27 -0.71 0.13 0.68 0.00 0.00 0.00 175.10 175.47 2k5h s VAL 92 N 1.58 3.69 0.21 2.92 -7.23 0.14 -0.57 120.40 121.15 2k5h s VAL 92 Ca 0.04 -1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 58.51 2k5h s VAL 92 Cb -0.27 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 2k5h s VAL 92 CO 0.04 -0.30 0.28 -1.61 -0.31 0.00 0.00 175.10 173.20 2k5h s GLU 93 N -3.80 1.32 0.03 4.82 0.41 -0.60 -4.14 118.70 116.74 2k5h s GLU 93 Ca 0.34 -1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 2k5h s GLU 93 Cb -0.06 0.36 -0.07 0.00 -1.78 0.00 0.00 34.13 32.58 2k5h s GLU 93 CO 0.23 -0.49 1.55 0.21 -0.49 0.00 0.00 175.26 176.27 2k5h s LYS 94 N -4.08 4.23 0.52 1.61 2.36 -1.26 -1.92 119.74 121.20 2k5h s LYS 94 Ca 0.30 2.17 -0.23 0.00 -2.55 0.00 0.00 55.97 55.66 2k5h s LYS 94 Cb 0.04 -3.61 -0.06 0.00 -1.05 0.00 0.00 37.83 33.14 2k5h s LYS 94 CO 0.09 -0.68 1.39 -1.17 1.55 0.00 0.00 175.35 176.54 2k5h s LEU 95 N 2.64 3.92 -0.84 5.43 2.96 -1.22 -4.82 118.68 126.75 2k5h s LEU 95 Ca 0.70 2.84 -0.25 0.00 -0.22 0.00 0.00 54.13 57.19 2k5h s LEU 95 Cb -0.36 -4.17 0.03 0.00 0.50 0.00 0.00 46.19 42.19 2k5h s LEU 95 CO 0.30 -1.48 1.43 -1.83 -1.32 0.00 0.00 176.35 173.45 2k5h s GLU 96 N -2.78 3.25 -0.04 1.98 -1.05 -1.26 -4.81 118.70 113.98 2k5h s GLU 96 Ca 0.69 -0.49 0.05 0.00 -0.15 0.00 0.00 54.97 55.07 2k5h s GLU 96 Cb -0.42 -4.68 0.23 0.00 -0.44 0.00 0.00 34.13 28.83 2k5h s GLU 96 CO 0.51 -2.30 1.00 0.39 0.95 0.00 0.00 175.26 175.81 2k5h n GLU 97 N 9.15 1.94 -1.74 -4.83 1.02 -1.26 -4.84 120.64 120.09 2k5h n GLU 97 Ca 0.18 -0.92 -0.39 0.00 -0.02 0.00 0.00 57.16 56.01 2k5h n GLU 97 Cb 0.50 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2k5h n GLU 97 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2k5h s GLN 98 N -1.60 2.64 -0.53 3.49 0.74 -1.26 -4.91 119.66 118.22 2k5h s GLN 98 Ca 0.16 1.40 -0.28 0.00 0.05 0.00 0.00 55.36 56.68 2k5h s GLN 98 Cb 0.11 -4.43 0.03 0.00 1.10 0.00 0.00 33.01 29.81 2k5h s GLN 98 CO 0.07 -2.67 1.21 0.15 -0.55 0.00 0.00 175.29 173.50 2k5h s LYS 99 N 7.16 3.57 0.00 1.67 1.02 -1.26 -4.77 119.74 127.12 2k5h s LYS 99 Ca 0.89 0.42 0.00 0.00 0.02 0.00 0.00 55.97 57.30 2k5h s LYS 99 Cb -0.21 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 2k5h s LYS 99 CO 0.28 -1.60 0.00 0.41 -0.92 0.00 0.00 175.35 173.52 2k5h n GLY 100 N 5.02 -0.35 0.77 -3.33 0.00 -1.26 -5.33 105.19 100.71 2k5h n GLY 100 Ca 0.11 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.39 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76