#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 1.80 0.26 3.03 0.00 -1.26 -5.05 107.32 106.11 2k5h s GLY 2 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 44.72 43.09 2k5h s GLY 2 CO 0.00 1.35 0.96 -1.35 0.00 0.00 0.00 173.10 174.06 2k5h s SER 3 N 1.90 7.55 -0.33 1.64 1.04 -1.26 -5.03 113.70 119.21 2k5h s SER 3 Ca 0.17 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.58 2k5h s SER 3 Cb -0.16 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.50 2k5h s SER 3 CO 0.16 0.08 0.31 -0.44 0.98 0.00 0.00 173.24 174.33 2k5h s SER 4 N -1.22 1.74 -0.31 7.02 0.01 -1.26 -5.10 113.70 114.57 2k5h s SER 4 Ca 0.43 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2k5h s SER 4 Cb -0.25 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.45 2k5h s SER 4 CO 0.32 -0.33 0.07 -2.28 0.41 0.00 0.00 173.24 171.42 2k5h s HIS 5 N 1.85 2.38 0.35 2.43 5.65 -1.26 -5.11 115.29 121.58 2k5h s HIS 5 Ca 0.13 -2.11 -0.27 0.00 0.25 0.00 0.00 55.06 53.07 2k5h s HIS 5 Cb -0.16 -2.06 -0.09 0.00 -1.18 0.00 0.00 32.58 29.09 2k5h s HIS 5 CO -0.18 -0.88 1.10 -1.58 -0.65 0.00 0.00 174.74 172.54 2k5h s HIS 6 N 1.38 3.35 0.01 3.88 5.65 -1.26 -5.05 115.29 123.25 2k5h s HIS 6 Ca 0.09 1.64 0.08 0.00 0.25 0.00 0.00 55.06 57.12 2k5h s HIS 6 Cb -0.18 -3.26 -0.02 0.00 -1.18 0.00 0.00 32.58 27.94 2k5h s HIS 6 CO -0.18 -0.77 -0.25 -1.01 -0.65 0.00 0.00 174.74 171.89 2k5h s HIS 7 N -1.40 2.21 -0.21 3.88 0.09 -1.26 -5.12 115.29 113.48 2k5h s HIS 7 Ca 0.52 -0.41 -0.09 0.00 -0.00 0.00 0.00 55.06 55.08 2k5h s HIS 7 Cb -0.28 -1.37 0.08 0.00 -0.00 0.00 0.00 32.58 31.01 2k5h s HIS 7 CO 0.36 0.03 0.46 -1.01 -0.00 0.00 0.00 174.74 174.58 2k5h s HIS 8 N -0.68 -0.81 -0.41 1.40 0.09 -1.26 -5.05 115.29 108.57 2k5h s HIS 8 Ca 0.10 1.58 0.09 0.00 -0.00 0.00 0.00 55.06 56.84 2k5h s HIS 8 Cb -0.10 0.37 0.35 0.00 -0.00 0.00 0.00 32.58 33.21 2k5h s HIS 8 CO 0.00 -0.46 1.02 1.58 -0.00 0.00 0.00 174.74 176.88 2k5h n HIS 9 N 4.96 -1.51 -3.21 1.40 -0.00 -1.26 -5.08 115.22 110.53 2k5h n HIS 9 Ca -0.14 -2.69 -0.46 0.00 -0.00 0.00 0.00 57.72 54.43 2k5h n HIS 9 Cb 0.52 0.81 -0.02 0.00 -0.00 0.00 0.00 29.99 31.31 2k5h n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5h s HIS 10 N -0.89 3.68 -0.28 1.57 5.65 -1.26 -4.94 115.29 118.83 2k5h s HIS 10 Ca 0.28 -1.98 -0.11 0.00 0.25 0.00 0.00 55.06 53.50 2k5h s HIS 10 Cb 0.34 -3.97 0.11 0.00 -1.18 0.00 0.00 32.58 27.88 2k5h s HIS 10 CO -0.06 -1.13 0.63 -1.12 -0.65 0.00 0.00 174.74 172.41 2k5h s SER 11 N 2.41 -1.00 0.10 9.88 0.01 -1.26 -5.17 113.70 118.67 2k5h s SER 11 Ca 0.25 1.49 0.07 0.00 1.31 0.00 0.00 55.95 59.07 2k5h s SER 11 Cb -0.08 1.96 -0.03 0.00 0.21 0.00 0.00 66.02 68.08 2k5h s SER 11 CO -0.08 -0.22 -0.17 -0.44 0.41 0.00 0.00 173.24 172.73 2k5h s SER 12 N 2.54 2.16 0.00 2.44 0.01 -1.26 -5.14 113.70 114.45 2k5h s SER 12 Ca -0.07 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2k5h s SER 12 Cb -0.10 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2k5h s SER 12 CO -0.18 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2k5h n GLY 13 N 1.04 1.81 0.00 3.44 0.00 -1.26 -5.13 105.19 105.10 2k5h n GLY 13 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.42 0.00 -2.93 1.61 1.74 -1.26 -5.08 116.66 110.32 2k5h n ARG 14 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2k5h n ARG 14 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2k5h n ARG 14 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2k5h n GLU 15 N -0.50 -2.49 -2.40 5.56 1.02 -1.26 -5.06 120.64 115.51 2k5h n GLU 15 Ca 0.00 2.12 -0.08 0.00 -0.02 0.00 0.00 57.16 59.18 2k5h n GLU 15 Cb 0.00 -4.56 -0.01 0.00 -0.02 0.00 0.00 31.44 26.86 2k5h n GLU 15 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2k5h n ASN 16 N 0.27 1.88 -4.61 1.62 6.94 -1.26 -5.08 115.26 115.01 2k5h n ASN 16 Ca 0.04 -1.55 -0.43 0.00 -0.02 0.00 0.00 54.58 52.61 2k5h n ASN 16 Cb 0.33 0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 2k5h n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k5h s LEU 17 N 0.00 3.90 -0.48 -4.53 1.43 -1.26 -4.98 118.68 112.76 2k5h s LEU 17 Ca 0.05 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 2k5h s LEU 17 Cb -0.00 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2k5h s LEU 17 CO 0.03 -0.96 1.56 -0.31 0.23 0.00 0.00 176.35 176.90 2k5h s TYR 18 N 3.76 2.12 0.08 0.29 2.02 -1.26 -4.96 117.35 119.40 2k5h s TYR 18 Ca 0.42 0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 57.52 2k5h s TYR 18 Cb -0.11 -4.27 -0.07 0.00 -0.40 0.00 0.00 41.96 37.11 2k5h s TYR 18 CO 0.21 -2.23 0.62 0.12 -1.57 0.00 0.00 175.55 172.69 2k5h s PHE 19 N 6.50 3.82 -0.24 2.71 5.36 -1.26 -5.06 117.98 129.80 2k5h s PHE 19 Ca 0.63 1.35 -0.22 0.00 -0.96 0.00 0.00 56.93 57.72 2k5h s PHE 19 Cb -0.14 -2.57 0.06 0.00 -0.34 0.00 0.00 43.02 40.03 2k5h s PHE 19 CO 0.28 0.55 0.65 -1.14 -1.46 0.00 0.00 175.22 174.10 2k5h s GLN 20 N -1.01 0.75 0.42 10.12 0.74 -1.26 -5.03 119.66 124.40 2k5h s GLN 20 Ca 0.31 0.91 0.22 0.00 0.05 0.00 0.00 55.36 56.84 2k5h s GLN 20 Cb -0.20 0.36 0.91 0.00 1.10 0.00 0.00 33.01 35.18 2k5h s GLN 20 CO 0.20 -0.09 1.83 0.78 -0.55 0.00 0.00 175.29 177.47 2k5h h GLY 21 N 5.18 0.00 -2.30 2.59 0.00 -2.06 -3.49 103.07 102.99 2k5h h GLY 21 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2k5h h GLY 21 CO 0.10 0.00 -0.42 1.57 0.00 0.00 0.00 176.54 177.79 2k5h n HIS 22 N -3.54 -2.16 -1.75 5.60 -0.00 -1.26 -4.89 115.22 107.22 2k5h n HIS 22 Ca -0.00 1.26 -0.42 0.00 0.46 0.00 0.00 57.72 59.02 2k5h n HIS 22 Cb 0.42 -2.68 -0.02 0.00 -0.12 0.00 0.00 29.99 27.59 2k5h n HIS 22 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2k5h s MET 23 N -2.25 4.12 0.76 1.57 1.75 -1.26 -4.95 119.30 119.05 2k5h s MET 23 Ca 0.00 2.59 -0.13 0.00 -1.25 0.00 0.00 55.69 56.90 2k5h s MET 23 Cb 0.00 -3.05 0.06 0.00 2.84 0.00 0.00 34.83 34.68 2k5h s MET 23 CO 0.00 -0.69 1.14 0.00 -0.65 0.00 0.00 175.02 174.82 2k5h s ALA 24 N 0.59 2.09 0.19 4.11 0.00 -1.26 -5.03 121.76 122.45 2k5h s ALA 24 Ca 0.69 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 2k5h s ALA 24 Cb -0.49 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 2k5h s ALA 24 CO 0.40 -1.90 0.40 0.00 0.00 0.00 0.00 175.76 174.66 2k5h s ALA 25 N -2.42 3.80 0.30 0.00 0.00 -1.26 -5.11 121.76 117.07 2k5h s ALA 25 Ca 0.68 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2k5h s ALA 25 Cb -0.23 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2k5h s ALA 25 CO 0.49 0.51 0.02 1.03 0.00 0.00 0.00 175.76 177.81 2k5h s ARG 26 N -3.09 2.22 -0.30 0.00 1.81 -1.26 -5.09 118.95 113.23 2k5h s ARG 26 Ca 0.40 -1.55 -0.25 0.00 -1.72 0.00 0.00 55.73 52.60 2k5h s ARG 26 Cb -0.11 -2.08 0.01 0.00 -0.45 0.00 0.00 34.95 32.31 2k5h s ARG 26 CO 0.27 0.25 0.88 0.96 -0.68 0.00 0.00 175.30 176.99 2k5h s ILE 27 N -2.41 4.71 0.36 1.52 -4.36 -1.26 -5.04 121.20 114.72 2k5h s ILE 27 Ca 0.34 1.40 -0.01 0.00 -0.26 0.00 0.00 60.65 62.11 2k5h s ILE 27 Cb -0.04 -4.23 0.07 0.00 1.25 0.00 0.00 42.46 39.51 2k5h s ILE 27 CO 0.20 -0.31 0.50 0.35 0.24 0.00 0.00 174.94 175.92 2k5h n THR 28 N 5.61 0.00 -1.90 8.37 -2.24 -1.26 -4.98 114.28 117.89 2k5h n THR 28 Ca 0.07 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 2k5h n THR 28 Cb 0.48 -1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 2k5h n THR 28 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k5h s GLY 29 N -3.76 0.52 -0.65 3.38 0.00 -1.26 -4.93 107.32 100.62 2k5h s GLY 29 Ca 0.32 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2k5h s GLY 29 CO 0.21 3.47 0.45 -1.83 0.00 0.00 0.00 173.10 175.41 2k5h s GLU 30 N 6.27 2.51 1.35 2.90 -1.05 -1.26 -5.09 118.70 124.32 2k5h s GLU 30 Ca 0.83 -2.80 -0.22 0.00 -0.15 0.00 0.00 54.97 52.63 2k5h s GLU 30 Cb -0.22 -3.61 0.34 0.00 -0.44 0.00 0.00 34.13 30.20 2k5h s GLU 30 CO 0.31 -1.19 1.02 -2.14 0.95 0.00 0.00 175.26 174.21 2k5h s PRO 31 N -0.54 -2.36 0.19 -4.83 0.02 -1.26 -4.94 135.00 121.28 2k5h s PRO 31 Ca 0.20 -0.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.04 2k5h s PRO 31 Cb -0.18 -1.46 0.11 0.00 0.02 0.00 0.00 34.50 33.00 2k5h s PRO 31 CO -0.06 -4.46 1.82 0.77 -0.33 0.00 0.00 177.00 174.74 2k5h h SER 32 N -3.12 0.82 -0.43 2.53 0.02 -2.06 -3.48 113.55 107.84 2k5h h SER 32 Ca -0.42 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2k5h h SER 32 Cb 1.31 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2k5h h SER 32 CO 0.27 0.67 0.00 0.29 -1.14 0.00 0.00 176.83 176.92 2k5h n LYS 33 N -4.54 0.00 -3.78 3.45 4.76 -1.26 -4.26 118.16 112.53 2k5h n LYS 33 Ca 0.05 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.16 2k5h n LYS 33 Cb 0.08 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.16 2k5h n LYS 33 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k5h s LYS 34 N 0.00 2.62 -0.16 1.97 2.47 -1.26 -5.07 119.74 120.30 2k5h s LYS 34 Ca 0.00 -2.92 -0.29 0.00 -1.56 0.00 0.00 55.97 51.20 2k5h s LYS 34 Cb 0.00 -3.65 -0.00 0.00 -1.46 0.00 0.00 37.83 32.72 2k5h s LYS 34 CO 0.00 -1.21 1.01 0.00 0.16 0.00 0.00 175.35 175.31 2k5h s ALA 35 N -0.74 3.53 -0.00 3.13 0.00 -1.26 -5.02 121.76 121.40 2k5h s ALA 35 Ca 0.21 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2k5h s ALA 35 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2k5h s ALA 35 CO -0.08 -0.80 0.92 0.54 0.00 0.00 0.00 175.76 176.34 2k5h s VAL 36 N 2.54 4.86 -0.12 0.00 0.11 -1.26 -5.04 120.40 121.48 2k5h s VAL 36 Ca 0.46 1.94 -0.03 0.00 -2.93 0.00 0.00 61.98 61.42 2k5h s VAL 36 Cb -0.17 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.39 2k5h s VAL 36 CO 0.12 0.20 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.62 2k5h s SER 37 N 0.85 4.91 0.26 3.54 0.01 -1.26 -4.98 113.70 117.03 2k5h s SER 37 Ca 0.49 -0.03 0.25 0.00 1.31 0.00 0.00 55.95 57.96 2k5h s SER 37 Cb -0.21 -1.59 0.95 0.00 0.21 0.00 0.00 66.02 65.38 2k5h s SER 37 CO 0.26 0.26 1.74 -0.90 0.41 0.00 0.00 173.24 175.01 2k5h n ASP 38 N 2.94 0.75 0.00 2.44 5.75 -1.26 -2.43 116.55 124.74 2k5h n ASP 38 Ca -0.18 0.65 0.12 0.00 -0.01 0.00 0.00 54.79 55.38 2k5h n ASP 38 Cb 0.53 -0.82 0.66 0.00 -1.03 0.00 0.00 41.12 40.45 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 -2.29 0.48 0.08 0.11 1.74 -1.26 -2.44 116.66 113.09 2k5h n ARG 39 Ca 0.03 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 2k5h n ARG 39 Cb 0.29 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.69 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k5h n LEU 40 N -1.20 0.59 -4.55 0.55 4.77 -1.02 -4.51 117.00 111.62 2k5h n LEU 40 Ca 0.14 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.30 2k5h n LEU 40 Cb 0.16 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2k5h n LEU 40 CO 0.17 -0.17 1.52 -0.63 -1.33 0.00 0.00 177.39 176.95 2k5h s ILE 41 N -3.09 3.43 0.00 -0.08 -1.09 -1.02 -1.50 121.20 117.85 2k5h s ILE 41 Ca 0.11 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2k5h s ILE 41 Cb 0.14 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2k5h s ILE 41 CO 0.55 -1.09 0.00 0.61 -1.23 0.00 0.00 174.94 173.79 2k5h n GLY 42 N 5.72 0.95 3.89 6.18 0.00 -0.41 -5.04 105.19 116.48 2k5h n GLY 42 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.39 2.49 0.64 1.61 1.81 -0.56 -4.79 118.95 119.76 2k5h s ARG 43 Ca 0.00 0.28 -0.06 0.00 -1.72 0.00 0.00 55.73 54.22 2k5h s ARG 43 Cb 0.00 -2.01 0.03 0.00 -0.45 0.00 0.00 34.95 32.52 2k5h s ARG 43 CO 0.00 -1.24 0.95 0.15 -0.68 0.00 0.00 175.30 174.48 2k5h s LYS 44 N -5.42 2.61 -0.27 3.54 1.02 -1.26 -1.20 119.74 118.75 2k5h s LYS 44 Ca 0.59 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 56.23 2k5h s LYS 44 Cb -0.11 -2.23 0.08 0.00 -0.52 0.00 0.00 37.83 35.05 2k5h s LYS 44 CO 0.50 -0.93 0.74 0.20 -0.92 0.00 0.00 175.35 174.94 2k5h s GLY 45 N -4.40 -0.52 -0.05 -3.33 0.00 0.28 -4.74 107.32 94.57 2k5h s GLY 45 Ca 0.57 2.13 -0.03 0.00 0.00 0.00 0.00 44.72 47.39 2k5h s GLY 45 CO 0.45 1.84 0.10 0.54 0.00 0.00 0.00 173.10 176.03 2k5h s VAL 46 N 0.53 4.99 -0.51 1.40 0.11 -1.24 0.11 120.40 125.78 2k5h s VAL 46 Ca -0.01 -0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.62 2k5h s VAL 46 Cb -0.05 -3.23 0.04 0.00 -1.53 0.00 0.00 36.38 31.60 2k5h s VAL 46 CO -0.02 0.45 0.88 -0.69 -3.33 0.00 0.00 175.10 172.40 2k5h s VAL 47 N -1.13 4.49 -0.04 2.04 1.01 0.34 -1.37 120.40 125.74 2k5h s VAL 47 Ca 0.20 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2k5h s VAL 47 Cb -0.12 -4.45 -0.26 0.00 0.00 0.00 0.00 36.38 31.55 2k5h s VAL 47 CO 0.10 -0.95 0.66 0.24 0.00 0.00 0.00 175.10 175.16 2k5h h MET 48 N 9.17 0.17 -5.62 2.72 2.86 -0.55 0.28 114.93 123.97 2k5h h MET 48 Ca -0.25 -0.29 -0.54 0.00 -2.06 0.00 0.00 59.70 56.55 2k5h h MET 48 Cb 1.08 0.11 -0.29 0.00 0.06 0.00 0.00 31.60 32.55 2k5h h MET 48 CO 1.04 0.95 -0.83 -2.00 1.06 0.00 0.00 176.91 177.12 2k5h s GLU 49 N -2.60 1.42 0.05 1.72 2.12 -1.01 -4.83 118.70 115.58 2k5h s GLU 49 Ca -0.11 -0.62 -0.34 0.00 0.36 0.00 0.00 54.97 54.26 2k5h s GLU 49 Cb 0.07 -1.37 -0.13 0.00 0.26 0.00 0.00 34.13 32.96 2k5h s GLU 49 CO 0.82 0.36 1.66 0.00 -0.54 0.00 0.00 175.26 177.56 2k5h n ALA 50 N 2.69 0.93 -2.66 6.30 0.00 -1.26 -2.93 120.51 123.57 2k5h n ALA 50 Ca -0.15 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2k5h n ALA 50 Cb 0.54 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 2.02 4.96 0.14 0.00 1.01 -0.52 -4.19 121.20 124.62 2k5h s ILE 51 Ca 0.85 1.37 0.03 0.00 0.00 0.00 0.00 60.65 62.90 2k5h s ILE 51 Cb -0.72 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2k5h s ILE 51 CO 0.44 0.07 -0.07 -0.94 0.00 0.00 0.00 174.94 174.45 2k5h s SER 52 N 1.19 1.50 0.54 3.58 1.04 -0.08 -1.56 113.70 119.91 2k5h s SER 52 Ca 0.33 -1.05 0.23 0.00 0.48 0.00 0.00 55.95 55.93 2k5h s SER 52 Cb -0.16 0.04 1.41 0.00 0.10 0.00 0.00 66.02 67.41 2k5h s SER 52 CO 0.11 -0.42 2.08 -0.65 0.98 0.00 0.00 173.24 175.33 2k5h h PRO 53 N 2.80 0.00 0.00 4.02 0.11 -1.88 -3.15 132.00 133.90 2k5h h PRO 53 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2k5h h PRO 53 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k5h h PRO 53 CO 0.64 0.00 -0.35 1.96 -0.21 0.00 0.00 178.00 180.04 2k5h h GLN 54 N 0.00 0.00 -4.96 1.05 4.20 -1.96 -3.46 115.11 109.98 2k5h h GLN 54 Ca 0.12 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.18 2k5h h GLN 54 Cb 0.52 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.07 2k5h h GLN 54 CO -0.00 0.06 -0.64 1.21 -0.67 0.00 0.00 178.83 178.79 2k5h s ASN 55 N -5.73 5.01 0.41 1.46 2.47 -1.19 -5.08 114.94 112.30 2k5h s ASN 55 Ca -0.10 -0.23 -0.25 0.00 0.42 0.00 0.00 52.86 52.69 2k5h s ASN 55 Cb 0.01 -1.89 -0.08 0.00 -1.45 0.00 0.00 41.25 37.84 2k5h s ASN 55 CO 0.17 -0.03 1.24 -0.44 -3.72 0.00 0.00 177.10 174.32 2k5h s SER 56 N 1.57 6.33 0.66 -4.21 0.01 -1.26 -0.90 113.70 115.91 2k5h s SER 56 Ca 0.06 2.52 -0.00 0.00 1.31 0.00 0.00 55.95 59.83 2k5h s SER 56 Cb -0.15 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.55 2k5h s SER 56 CO 0.03 -0.82 0.92 -0.83 0.41 0.00 0.00 173.24 172.95 2k5h s GLY 57 N -0.94 1.78 -0.22 3.44 0.00 -0.57 -4.75 107.32 106.05 2k5h s GLY 57 Ca 0.58 -1.55 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 2k5h s GLY 57 CO 0.44 -1.09 -0.00 1.08 0.00 0.00 0.00 173.10 173.53 2k5h s LEU 58 N -5.02 3.11 -0.12 0.66 1.43 -1.15 0.01 118.68 117.59 2k5h s LEU 58 Ca 0.63 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 2k5h s LEU 58 Cb -0.07 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2k5h s LEU 58 CO 0.42 -0.01 -0.03 0.68 0.23 0.00 0.00 176.35 177.65 2k5h s VAL 59 N 1.41 3.98 -0.44 -1.59 -7.23 0.66 0.23 120.40 117.42 2k5h s VAL 59 Ca 0.05 -0.35 -0.16 0.00 -1.81 0.00 0.00 61.98 59.71 2k5h s VAL 59 Cb -0.15 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.13 2k5h s VAL 59 CO -0.00 0.54 0.39 -0.75 -0.31 0.00 0.00 175.10 174.96 2k5h s LYS 60 N -0.13 3.01 -0.43 4.82 2.20 -0.47 0.18 119.74 128.92 2k5h s LYS 60 Ca 0.03 -1.09 -0.16 0.00 -0.36 0.00 0.00 55.97 54.39 2k5h s LYS 60 Cb -0.13 -4.05 0.03 0.00 -1.51 0.00 0.00 37.83 32.18 2k5h s LYS 60 CO 0.02 -0.92 0.39 0.08 -0.36 0.00 0.00 175.35 174.57 2k5h s VAL 61 N 1.83 5.17 0.00 4.02 1.01 0.11 -3.65 120.40 128.88 2k5h s VAL 61 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2k5h s VAL 61 Cb -0.21 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k5h s VAL 61 CO 0.10 -0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.10 2k5h n ASP 62 N 5.40 0.00 0.00 3.32 -0.08 -1.26 -1.38 116.55 122.55 2k5h n ASP 62 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2k5h n ASP 62 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k5h n GLY 63 N 0.00 -0.99 3.33 0.27 0.00 -1.26 -5.07 105.19 101.47 2k5h n GLY 63 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 2.04 -0.17 1.61 2.02 -0.48 -5.12 118.70 118.55 2k5h s GLU 64 Ca 0.00 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 2k5h s GLU 64 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 2k5h s GLU 64 CO 0.00 0.55 0.14 -0.08 0.02 0.00 0.00 175.26 175.89 2k5h s THR 65 N -0.67 5.44 0.34 3.63 -1.32 -1.26 0.07 115.64 121.87 2k5h s THR 65 Ca 0.11 0.21 0.09 0.00 -1.21 0.00 0.00 61.69 60.89 2k5h s THR 65 Cb -0.10 -3.45 -0.06 0.00 -1.51 0.00 0.00 72.50 67.38 2k5h s THR 65 CO -0.00 0.49 -0.04 0.26 -2.21 0.00 0.00 174.62 173.12 2k5h s TRP 66 N -0.07 2.48 0.07 9.09 0.52 0.13 -4.93 118.94 126.22 2k5h s TRP 66 Ca 0.10 -0.48 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 2k5h s TRP 66 Cb -0.11 -1.45 -0.06 0.00 -1.15 0.00 0.00 33.47 30.70 2k5h s TRP 66 CO 0.00 0.53 0.43 1.03 0.02 0.00 0.00 176.95 178.96 2k5h s ARG 67 N -3.67 3.84 -0.01 4.98 3.00 -1.22 -0.25 118.95 125.62 2k5h s ARG 67 Ca 0.34 0.29 0.04 0.00 0.00 0.00 0.00 55.73 56.39 2k5h s ARG 67 Cb 0.01 -3.03 -0.01 0.00 0.00 0.00 0.00 34.95 31.92 2k5h s ARG 67 CO 0.18 0.57 -0.12 0.00 0.00 0.00 0.00 175.30 175.93 2k5h s ALA 68 N -1.34 0.98 -0.11 2.13 0.00 0.10 0.44 121.76 123.95 2k5h s ALA 68 Ca 0.32 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2k5h s ALA 68 Cb -0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2k5h s ALA 68 CO 0.17 0.24 -0.20 0.95 0.00 0.00 0.00 175.76 176.93 2k5h s THR 69 N -0.29 2.46 0.10 0.00 -4.23 0.03 -1.51 115.64 112.20 2k5h s THR 69 Ca 0.04 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 2k5h s THR 69 Cb -0.05 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 2k5h s THR 69 CO -0.00 0.55 0.10 -0.44 -0.54 0.00 0.00 174.62 174.28 2k5h s SER 70 N 0.34 0.28 0.24 3.99 0.01 -1.26 -2.50 113.70 114.80 2k5h s SER 70 Ca -0.16 -0.96 0.22 0.00 1.31 0.00 0.00 55.95 56.36 2k5h s SER 70 Cb -0.17 0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.41 2k5h s SER 70 CO 0.08 -0.72 1.15 1.23 0.41 0.00 0.00 173.24 175.39 2k5h h GLY 71 N 2.87 0.00 -4.80 3.44 0.00 -1.96 -3.42 103.07 99.20 2k5h h GLY 71 Ca -0.34 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.38 2k5h h GLY 71 CO 0.59 0.00 -0.51 -0.51 0.00 0.00 0.00 176.54 176.11 2k5h s THR 72 N -3.26 5.27 -0.62 4.70 -4.23 -1.26 -4.84 115.64 111.40 2k5h s THR 72 Ca 0.01 -0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 2k5h s THR 72 Cb 0.08 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.38 2k5h s THR 72 CO 0.77 0.12 1.15 -0.69 -0.54 0.00 0.00 174.62 175.43 2k5h s VAL 73 N -1.52 4.03 -0.13 2.29 1.01 -1.26 -4.64 120.40 120.19 2k5h s VAL 73 Ca 0.34 0.61 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2k5h s VAL 73 Cb -0.13 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.47 2k5h s VAL 73 CO 0.27 -1.43 0.33 -0.76 0.00 0.00 0.00 175.10 173.52 2k5h s LEU 74 N 4.91 4.29 0.60 3.92 1.43 -0.60 -4.92 118.68 128.31 2k5h s LEU 74 Ca 0.38 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 54.02 2k5h s LEU 74 Cb -0.09 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2k5h s LEU 74 CO 0.21 0.13 0.95 -1.81 0.23 0.00 0.00 176.35 176.07 2k5h s ASP 75 N 0.18 5.87 -0.07 2.29 1.11 -1.26 -1.45 116.67 123.34 2k5h s ASP 75 Ca 0.19 1.04 -0.30 0.00 0.18 0.00 0.00 52.55 53.66 2k5h s ASP 75 Cb -0.14 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 2k5h s ASP 75 CO 0.06 -0.97 1.37 -0.69 1.18 0.00 0.00 175.17 176.12 2k5h s VAL 76 N -3.07 3.96 0.00 -1.27 1.01 -1.26 -2.53 120.40 117.24 2k5h s VAL 76 Ca 0.54 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2k5h s VAL 76 Cb -0.11 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2k5h s VAL 76 CO 0.49 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2k5h n GLY 77 N 3.68 1.24 3.75 4.51 0.00 0.09 -5.03 105.19 113.43 2k5h n GLY 77 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.41 1.25 -0.00 1.61 0.41 -1.05 -4.79 118.70 115.72 2k5h s GLU 78 Ca 0.00 0.55 0.07 0.00 -0.41 0.00 0.00 54.97 55.18 2k5h s GLU 78 Cb 0.00 -1.83 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 2k5h s GLU 78 CO 0.00 -2.18 -0.21 -1.21 -0.49 0.00 0.00 175.26 171.17 2k5h s GLU 79 N -5.10 1.64 0.37 1.61 2.02 -1.26 -0.50 118.70 117.48 2k5h s GLU 79 Ca 0.63 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.86 2k5h s GLU 79 Cb -0.16 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 2k5h s GLU 79 CO 0.55 0.44 0.15 0.14 0.02 0.00 0.00 175.26 176.56 2k5h s VAL 80 N -0.57 0.52 -0.00 2.63 -7.23 0.29 -0.82 120.40 115.23 2k5h s VAL 80 Ca 0.08 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2k5h s VAL 80 Cb -0.08 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2k5h s VAL 80 CO -0.00 0.00 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.23 2k5h s SER 81 N -3.52 1.41 -0.21 4.85 0.01 -0.28 -0.55 113.70 115.40 2k5h s SER 81 Ca 0.29 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.03 2k5h s SER 81 Cb 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2k5h s SER 81 CO 0.17 0.13 0.97 -0.69 0.41 0.00 0.00 173.24 174.23 2k5h s VAL 82 N -0.35 4.74 -0.20 3.43 1.01 -0.34 -2.30 120.40 126.38 2k5h s VAL 82 Ca 0.04 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 2k5h s VAL 82 Cb -0.05 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.88 2k5h s VAL 82 CO -0.00 -0.12 0.19 0.29 0.00 0.00 0.00 175.10 175.46 2k5h n LYS 83 N 5.99 0.59 -4.09 2.72 4.76 0.14 -1.29 118.16 126.98 2k5h n LYS 83 Ca 0.10 0.52 -0.10 0.00 -2.87 0.00 0.00 58.31 55.96 2k5h n LYS 83 Cb 0.47 -1.73 -0.09 0.00 -1.84 0.00 0.00 35.03 31.85 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k5h s ALA 84 N -2.40 0.57 -0.08 7.82 0.00 -0.91 -4.72 121.76 122.05 2k5h s ALA 84 Ca -0.29 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.40 2k5h s ALA 84 Cb 0.07 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.14 2k5h s ALA 84 CO 0.60 -0.57 -0.10 0.42 0.00 0.00 0.00 175.76 176.12 2k5h s ILE 85 N -4.03 1.03 -0.37 0.00 1.01 -1.26 0.08 121.20 117.65 2k5h s ILE 85 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2k5h s ILE 85 Cb 0.06 -0.98 0.12 0.00 0.01 0.00 0.00 42.46 41.66 2k5h s ILE 85 CO 0.03 0.34 0.16 -1.83 0.00 0.00 0.00 174.94 173.64 2k5h s GLU 86 N 1.00 1.06 5.80 2.79 -1.05 0.18 -4.97 118.70 123.50 2k5h s GLU 86 Ca -0.09 -1.59 0.00 0.00 -0.15 0.00 0.00 54.97 53.15 2k5h s GLU 86 Cb -0.15 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.27 2k5h s GLU 86 CO -0.00 -1.06 0.00 0.41 0.95 0.00 0.00 175.26 175.56 2k5h n GLY 87 N 4.19 1.41 0.80 -3.83 0.00 -1.26 -1.51 105.19 104.99 2k5h n GLY 87 Ca 0.03 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.25 -4.75 1.61 0.24 -1.26 -4.95 118.33 109.47 2k5h n VAL 88 Ca 0.00 -0.62 -0.31 0.00 -2.04 0.00 0.00 64.34 61.36 2k5h n VAL 88 Cb 0.00 1.16 -0.13 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.38 2.25 -0.07 7.34 1.02 -0.57 -3.46 119.74 124.88 2k5h s LYS 89 Ca 0.25 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2k5h s LYS 89 Cb 0.16 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2k5h s LYS 89 CO 0.23 0.57 0.01 -0.51 -0.92 0.00 0.00 175.35 174.73 2k5h s LEU 90 N -1.18 3.59 -0.49 3.17 1.43 0.17 -0.64 118.68 124.73 2k5h s LEU 90 Ca 0.14 0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 2k5h s LEU 90 Cb -0.11 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2k5h s LEU 90 CO 0.04 0.36 0.69 -0.69 0.23 0.00 0.00 176.35 176.98 2k5h s VAL 91 N -0.93 4.77 0.27 -1.59 1.01 0.11 -0.79 120.40 123.25 2k5h s VAL 91 Ca 0.15 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2k5h s VAL 91 Cb -0.11 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 2k5h s VAL 91 CO 0.04 -0.79 -0.03 0.68 0.00 0.00 0.00 175.10 175.00 2k5h s VAL 92 N 2.94 1.40 0.18 2.92 -7.23 -1.04 0.23 120.40 119.80 2k5h s VAL 92 Ca 0.21 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 2k5h s VAL 92 Cb -0.16 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2k5h s VAL 92 CO 0.16 -0.27 0.41 -1.83 -0.31 0.00 0.00 175.10 173.25 2k5h s GLU 93 N -3.79 1.26 0.17 4.82 -1.05 -0.97 -4.37 118.70 114.77 2k5h s GLU 93 Ca 0.30 -0.99 -0.33 0.00 -0.15 0.00 0.00 54.97 53.79 2k5h s GLU 93 Cb 0.05 0.45 -0.14 0.00 -0.44 0.00 0.00 34.13 34.06 2k5h s GLU 93 CO 0.11 -0.50 1.57 1.17 0.95 0.00 0.00 175.26 178.56 2k5h n LYS 94 N -0.28 2.17 -2.16 -4.83 4.81 -1.26 -1.12 118.16 115.49 2k5h n LYS 94 Ca -0.09 0.78 -0.35 0.00 -0.87 0.00 0.00 58.31 57.78 2k5h n LYS 94 Cb 0.63 -2.54 0.01 0.00 0.02 0.00 0.00 35.03 33.15 2k5h n LYS 94 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2k5h s LEU 95 N 0.82 3.73 -0.11 3.14 2.96 0.00 -4.70 118.68 124.52 2k5h s LEU 95 Ca 0.77 2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 56.66 2k5h s LEU 95 Cb -0.67 -4.58 -0.05 0.00 0.50 0.00 0.00 46.19 41.40 2k5h s LEU 95 CO 0.39 -1.36 1.66 -1.83 -1.32 0.00 0.00 176.35 173.89 2k5h s GLU 96 N -3.28 4.04 -0.19 1.98 -1.05 -1.26 -4.94 118.70 113.99 2k5h s GLU 96 Ca 0.74 2.04 -0.15 0.00 -0.15 0.00 0.00 54.97 57.45 2k5h s GLU 96 Cb -0.27 -4.01 -0.04 0.00 -0.44 0.00 0.00 34.13 29.37 2k5h s GLU 96 CO 0.30 -1.01 0.34 -1.21 0.95 0.00 0.00 175.26 174.63 2k5h s GLU 97 N 4.28 4.19 -0.85 -4.83 2.02 -1.26 -4.97 118.70 117.29 2k5h s GLU 97 Ca 0.74 0.12 -0.06 0.00 0.02 0.00 0.00 54.97 55.78 2k5h s GLU 97 Cb -0.31 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 2k5h s GLU 97 CO 0.29 0.06 2.96 1.04 0.02 0.00 0.00 175.26 179.64 2k5h n GLN 98 N 4.16 3.17 -0.13 1.61 1.13 -1.26 -4.15 117.38 121.91 2k5h n GLN 98 Ca -0.10 -2.22 -0.23 0.00 -1.94 0.00 0.00 57.00 52.51 2k5h n GLN 98 Cb 0.51 -2.39 -0.11 0.00 0.11 0.00 0.00 30.24 28.36 2k5h n GLN 98 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2k5h n LYS 99 N 2.22 0.63 0.00 -1.09 0.00 -1.26 -5.08 118.16 113.57 2k5h n LYS 99 Ca 0.58 0.22 0.00 0.00 0.00 0.00 0.00 58.31 59.11 2k5h n LYS 99 Cb 0.49 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.00 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k5h n GLY 100 N 1.79 1.61 0.00 3.14 0.00 -1.26 -5.35 105.19 105.12 2k5h n GLY 100 Ca -0.49 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76