#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 2.26 3.65 3.03 0.00 -1.26 -4.94 105.19 107.93 2k5h n GLY 2 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5h s SER 3 N 0.00 6.30 -1.17 1.61 0.01 -1.26 -4.91 113.70 114.29 2k5h s SER 3 Ca 0.00 2.48 -0.17 0.00 1.31 0.00 0.00 55.95 59.58 2k5h s SER 3 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.82 2k5h s SER 3 CO 0.00 -1.20 1.48 -0.44 0.41 0.00 0.00 173.24 173.50 2k5h s SER 4 N 4.96 6.87 0.20 2.44 0.01 -1.26 -4.75 113.70 122.17 2k5h s SER 4 Ca 0.89 -2.52 0.11 0.00 1.31 0.00 0.00 55.95 55.74 2k5h s SER 4 Cb -0.40 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.29 2k5h s SER 4 CO 0.39 -1.01 1.37 -0.74 0.41 0.00 0.00 173.24 173.66 2k5h h HIS 5 N 7.83 0.00 -1.08 2.43 -0.00 -2.03 -3.39 115.15 118.91 2k5h h HIS 5 Ca 0.32 0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 60.09 2k5h h HIS 5 Cb 0.91 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.22 2k5h h HIS 5 CO 1.23 0.75 1.53 -1.58 -0.00 0.00 0.00 177.93 179.86 2k5h s HIS 6 N -2.85 2.53 -0.07 5.26 5.65 -1.26 -4.91 115.29 119.64 2k5h s HIS 6 Ca 0.02 -0.85 -0.21 0.00 0.25 0.00 0.00 55.06 54.28 2k5h s HIS 6 Cb 0.09 -4.68 0.04 0.00 -1.18 0.00 0.00 32.58 26.85 2k5h s HIS 6 CO 0.78 -1.92 0.48 -3.38 -0.65 0.00 0.00 174.74 170.05 2k5h s HIS 7 N 5.09 -0.43 0.20 3.88 0.00 -1.26 -5.18 115.29 117.59 2k5h s HIS 7 Ca 0.47 0.82 0.01 0.00 -3.00 0.00 0.00 55.06 53.37 2k5h s HIS 7 Cb 0.00 0.22 -0.05 0.00 -4.00 0.00 0.00 32.58 28.75 2k5h s HIS 7 CO -0.08 -0.43 0.04 -1.01 -1.00 0.00 0.00 174.74 172.26 2k5h s HIS 8 N -0.86 1.32 -0.72 0.38 4.02 -1.26 -5.10 115.29 113.07 2k5h s HIS 8 Ca -0.09 -1.10 -0.18 0.00 1.02 0.00 0.00 55.06 54.71 2k5h s HIS 8 Cb -0.03 -0.76 0.13 0.00 -1.02 0.00 0.00 32.58 30.90 2k5h s HIS 8 CO 0.05 -0.28 0.84 -1.01 1.02 0.00 0.00 174.74 175.37 2k5h s HIS 9 N -3.72 3.13 -0.42 1.40 0.09 -1.26 -5.00 115.29 109.52 2k5h s HIS 9 Ca 0.30 -1.21 -0.24 0.00 -0.00 0.00 0.00 55.06 53.90 2k5h s HIS 9 Cb 0.07 -4.07 0.02 0.00 -0.00 0.00 0.00 32.58 28.59 2k5h s HIS 9 CO 0.08 -1.32 0.86 -1.01 -0.00 0.00 0.00 174.74 173.35 2k5h s HIS 10 N 2.37 3.01 -0.15 1.40 4.02 -1.26 -4.86 115.29 119.83 2k5h s HIS 10 Ca 0.19 0.46 0.18 0.00 1.02 0.00 0.00 55.06 56.90 2k5h s HIS 10 Cb -0.16 -3.70 0.44 0.00 -1.02 0.00 0.00 32.58 28.13 2k5h s HIS 10 CO -0.00 -0.93 1.18 0.43 1.02 0.00 0.00 174.74 176.44 2k5h n SER 11 N 6.81 1.81 0.19 1.40 7.64 -1.26 -4.75 113.62 125.46 2k5h n SER 11 Ca 0.05 -2.93 0.12 0.00 1.01 0.00 0.00 58.87 57.11 2k5h n SER 11 Cb 0.48 -0.41 0.17 0.00 -1.01 0.00 0.00 64.21 63.44 2k5h n SER 11 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k5h h SER 12 N 1.34 0.00 -4.68 6.43 4.64 -2.05 -3.50 113.55 115.73 2k5h h SER 12 Ca -0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2k5h h SER 12 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2k5h h SER 12 CO 0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2k5h n GLY 13 N 1.13 -2.18 2.77 -0.77 0.00 -1.26 -4.88 105.19 100.00 2k5h n GLY 13 Ca 0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2k5h n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5h s ARG 14 N -0.19 0.85 -0.23 1.61 3.52 -1.26 -5.07 118.95 118.18 2k5h s ARG 14 Ca 0.00 -0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 54.58 2k5h s ARG 14 Cb 0.00 -2.14 0.09 0.00 -1.56 0.00 0.00 34.95 31.34 2k5h s ARG 14 CO 0.00 -0.87 0.18 -2.00 -0.81 0.00 0.00 175.30 171.80 2k5h s GLU 15 N 1.60 0.18 -0.09 5.12 -6.30 -1.26 -5.01 118.70 112.94 2k5h s GLU 15 Ca 0.06 -0.08 0.22 0.00 -2.50 0.00 0.00 54.97 52.68 2k5h s GLU 15 Cb -0.17 -1.28 0.44 0.00 0.00 0.00 0.00 34.13 33.12 2k5h s GLU 15 CO -0.19 -0.79 1.17 0.09 0.02 0.00 0.00 175.26 175.56 2k5h n ASN 16 N 5.29 1.38 -3.44 -1.70 3.02 -1.26 -4.96 115.26 113.59 2k5h n ASN 16 Ca -0.05 -2.38 -0.37 0.00 -0.03 0.00 0.00 54.58 51.74 2k5h n ASN 16 Cb 0.47 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 2k5h n ASN 16 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k5h n LEU 17 N 0.00 7.09 -4.50 3.41 4.77 -1.26 -4.85 117.00 121.67 2k5h n LEU 17 Ca 0.10 -3.90 -0.42 0.00 -0.03 0.00 0.00 56.01 51.76 2k5h n LEU 17 Cb 1.01 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2k5h n LEU 17 CO -0.00 1.30 0.91 -0.47 -1.33 0.00 0.00 177.39 177.80 2k5h s TYR 18 N 2.97 2.56 -0.23 -1.77 5.04 -1.26 -5.01 117.35 119.65 2k5h s TYR 18 Ca 0.57 -0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 54.85 2k5h s TYR 18 Cb 0.15 -4.38 -0.05 0.00 0.35 0.00 0.00 41.96 38.03 2k5h s TYR 18 CO -0.05 -1.74 0.15 0.12 -1.34 0.00 0.00 175.55 172.69 2k5h s PHE 19 N 4.65 3.33 0.10 4.97 5.36 -1.26 -5.06 117.98 130.08 2k5h s PHE 19 Ca 0.29 0.24 -0.31 0.00 -0.96 0.00 0.00 56.93 56.19 2k5h s PHE 19 Cb -0.13 -2.24 -0.07 0.00 -0.34 0.00 0.00 43.02 40.24 2k5h s PHE 19 CO 0.14 0.12 1.32 1.14 -1.46 0.00 0.00 175.22 176.48 2k5h s GLN 20 N 0.88 4.36 -0.42 10.12 -2.07 -1.26 -4.98 119.66 126.29 2k5h s GLN 20 Ca 0.07 1.97 -0.23 0.00 -1.82 0.00 0.00 55.36 55.35 2k5h s GLN 20 Cb -0.13 -3.28 0.02 0.00 -1.09 0.00 0.00 33.01 28.54 2k5h s GLN 20 CO 0.03 -0.36 0.81 0.20 -1.32 0.00 0.00 175.29 174.64 2k5h s GLY 21 N 1.02 1.60 -0.47 2.60 0.00 -1.26 -5.01 107.32 105.81 2k5h s GLY 21 Ca 0.62 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 2k5h s GLY 21 CO 0.30 1.81 0.72 -1.58 0.00 0.00 0.00 173.10 174.35 2k5h s HIS 22 N 3.29 3.01 0.80 1.90 2.46 -1.26 -5.05 115.29 120.44 2k5h s HIS 22 Ca 0.31 -0.07 -0.07 0.00 0.47 0.00 0.00 55.06 55.70 2k5h s HIS 22 Cb -0.12 -3.55 0.14 0.00 -0.13 0.00 0.00 32.58 28.91 2k5h s HIS 22 CO 0.21 -0.99 1.11 -1.64 -2.47 0.00 0.00 174.74 170.96 2k5h s MET 23 N 3.06 1.42 -1.04 2.88 -1.94 -1.26 -4.94 119.30 117.48 2k5h s MET 23 Ca 0.24 -0.72 -0.23 0.00 -1.71 0.00 0.00 55.69 53.27 2k5h s MET 23 Cb -0.14 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 2k5h s MET 23 CO 0.19 -1.74 1.81 0.00 -0.01 0.00 0.00 175.02 175.27 2k5h s ALA 24 N -3.41 2.11 -0.39 3.03 0.00 -1.26 -4.80 121.76 117.03 2k5h s ALA 24 Ca 0.68 -1.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 2k5h s ALA 24 Cb -0.06 -4.59 0.17 0.00 0.00 0.00 0.00 23.12 18.64 2k5h s ALA 24 CO 0.47 -4.48 2.31 0.00 0.00 0.00 0.00 175.76 174.07 2k5h n ALA 25 N 12.32 5.70 -2.61 0.00 0.00 -1.26 -4.84 120.51 129.83 2k5h n ALA 25 Ca 0.41 -2.29 -0.43 0.00 0.00 0.00 0.00 53.44 51.13 2k5h n ALA 25 Cb 0.48 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2k5h n ALA 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k5h s ARG 26 N -1.88 3.98 -0.81 0.00 1.70 -1.26 -4.86 118.95 115.82 2k5h s ARG 26 Ca 0.44 -2.01 -0.02 0.00 -0.47 0.00 0.00 55.73 53.67 2k5h s ARG 26 Cb 0.31 -5.50 0.20 0.00 -0.57 0.00 0.00 34.95 29.39 2k5h s ARG 26 CO -0.09 -2.22 0.67 0.42 -1.08 0.00 0.00 175.30 173.00 2k5h s ILE 27 N 4.07 4.17 -0.02 4.99 1.01 -1.26 -4.73 121.20 129.43 2k5h s ILE 27 Ca 0.53 -3.56 0.02 0.00 0.00 0.00 0.00 60.65 57.64 2k5h s ILE 27 Cb 0.03 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.92 2k5h s ILE 27 CO 0.07 -1.02 0.82 0.35 0.00 0.00 0.00 174.94 175.16 2k5h n THR 28 N 2.72 0.57 0.00 2.92 -2.24 -1.26 -5.07 114.28 111.93 2k5h n THR 28 Ca 0.17 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2k5h n THR 28 Cb 0.38 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2k5h n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k5h n GLY 29 N -0.35 0.94 3.21 3.38 0.00 -1.26 -4.89 105.19 106.22 2k5h n GLY 29 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.84 -0.84 1.61 2.02 -1.26 -5.08 118.70 116.00 2k5h s GLU 30 Ca 0.00 -0.89 -0.21 0.00 0.02 0.00 0.00 54.97 53.89 2k5h s GLU 30 Cb 0.00 0.34 -0.19 0.00 0.10 0.00 0.00 34.13 34.39 2k5h s GLU 30 CO 0.00 -0.27 2.22 -2.30 0.02 0.00 0.00 175.26 174.93 2k5h n PRO 31 N 0.04 0.33 -0.00 0.39 -0.02 -1.26 -4.52 135.00 129.96 2k5h n PRO 31 Ca -0.16 -0.79 0.02 0.00 -2.02 0.00 0.00 63.50 60.55 2k5h n PRO 31 Cb 0.62 -3.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.06 2k5h n PRO 31 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5h n SER 32 N 15.57 1.40 -1.45 2.55 7.64 -1.26 -5.04 113.62 133.03 2k5h n SER 32 Ca 0.47 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2k5h n SER 32 Cb 0.39 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2k5h n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k5h n LYS 33 N 0.21 2.54 -2.66 1.43 4.76 -1.26 -5.09 118.16 118.08 2k5h n LYS 33 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 2k5h n LYS 33 Cb 0.12 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.28 2k5h n LYS 33 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k5h s LYS 34 N -1.17 4.33 -0.41 1.97 -2.85 -1.26 -4.93 119.74 115.42 2k5h s LYS 34 Ca 0.00 1.38 0.05 0.00 -1.00 0.00 0.00 55.97 56.41 2k5h s LYS 34 Cb 0.00 -3.60 0.53 0.00 -2.06 0.00 0.00 37.83 32.70 2k5h s LYS 34 CO 0.00 -0.50 1.65 0.00 0.10 0.00 0.00 175.35 176.60 2k5h n ALA 35 N 5.78 5.14 1.86 0.59 0.00 -1.26 -4.58 120.51 128.04 2k5h n ALA 35 Ca 0.11 -3.25 0.01 0.00 0.00 0.00 0.00 53.44 50.30 2k5h n ALA 35 Cb 0.47 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.03 0.05 -0.34 0.00 3.14 -1.26 -4.77 118.33 114.11 2k5h n VAL 36 Ca 0.47 -0.04 -0.28 0.00 -2.96 0.00 0.00 64.34 61.53 2k5h n VAL 36 Cb 1.11 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 34.15 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 -0.39 -3.66 -0.74 6.55 7.64 -1.26 -4.82 113.62 116.94 2k5h n SER 37 Ca 0.01 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2k5h n SER 37 Cb 0.04 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2k5h n SER 37 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k5h n ASP 38 N -5.44 1.45 0.01 6.43 9.92 -1.26 -3.66 116.55 124.00 2k5h n ASP 38 Ca 0.13 -1.49 0.13 0.00 -0.53 0.00 0.00 54.79 53.02 2k5h n ASP 38 Cb 0.54 -0.37 0.34 0.00 -0.64 0.00 0.00 41.12 40.99 2k5h n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2k5h n ARG 39 N 0.37 0.02 0.02 -1.24 1.85 -1.26 -3.63 116.66 112.79 2k5h n ARG 39 Ca 0.00 0.01 0.11 0.00 -1.00 0.00 0.00 57.85 56.97 2k5h n ARG 39 Cb 0.27 -1.52 -0.06 0.00 -1.05 0.00 0.00 32.46 30.11 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2k5h n LEU 40 N -1.55 0.49 -4.66 2.89 4.77 -1.24 -4.86 117.00 112.83 2k5h n LEU 40 Ca 0.06 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2k5h n LEU 40 Cb 0.34 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2k5h n LEU 40 CO 0.33 0.02 1.20 -0.63 -1.33 0.00 0.00 177.39 176.98 2k5h s ILE 41 N -3.31 3.91 0.00 -0.08 -1.09 -1.24 -2.95 121.20 116.45 2k5h s ILE 41 Ca -0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 2k5h s ILE 41 Cb 0.14 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2k5h s ILE 41 CO 0.84 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 2k5h n GLY 42 N 3.83 0.40 3.67 6.18 0.00 -0.27 -5.04 105.19 113.96 2k5h n GLY 42 Ca 0.15 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.90 2.39 0.17 1.61 1.81 -1.15 -4.87 118.95 117.01 2k5h s ARG 43 Ca 0.00 -1.30 -0.10 0.00 -1.72 0.00 0.00 55.73 52.61 2k5h s ARG 43 Cb 0.00 -2.25 -0.07 0.00 -0.45 0.00 0.00 34.95 32.18 2k5h s ARG 43 CO 0.00 0.39 0.49 0.21 -0.68 0.00 0.00 175.30 175.72 2k5h s LYS 44 N -3.52 3.80 0.27 3.54 2.20 -1.26 -1.39 119.74 123.39 2k5h s LYS 44 Ca 0.31 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 2k5h s LYS 44 Cb -0.07 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 2k5h s LYS 44 CO 0.20 0.42 0.25 0.20 -0.36 0.00 0.00 175.35 176.06 2k5h s GLY 45 N -2.13 1.77 0.04 5.54 0.00 0.11 -4.74 107.32 107.91 2k5h s GLY 45 Ca 0.42 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.42 2k5h s GLY 45 CO 0.21 -1.34 -0.18 0.54 0.00 0.00 0.00 173.10 172.33 2k5h s VAL 46 N -3.72 2.82 -0.23 1.40 0.11 -0.74 0.04 120.40 120.08 2k5h s VAL 46 Ca 0.38 -1.17 -0.23 0.00 -2.93 0.00 0.00 61.98 58.04 2k5h s VAL 46 Cb 0.04 -2.18 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 2k5h s VAL 46 CO 0.19 0.34 0.73 -0.69 -3.33 0.00 0.00 175.10 172.34 2k5h s VAL 47 N -0.92 4.93 -0.19 2.04 1.01 0.04 -0.35 120.40 126.95 2k5h s VAL 47 Ca 0.15 1.36 0.15 0.00 0.00 0.00 0.00 61.98 63.64 2k5h s VAL 47 Cb -0.11 -4.03 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 2k5h s VAL 47 CO 0.05 0.01 0.04 0.23 0.00 0.00 0.00 175.10 175.43 2k5h n MET 48 N 5.60 0.86 -4.46 2.72 2.81 0.67 -2.09 117.12 123.24 2k5h n MET 48 Ca 0.02 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.72 2k5h n MET 48 Cb 0.49 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.46 0.90 -0.02 0.03 2.12 -0.47 -4.77 118.70 114.03 2k5h s GLU 49 Ca -0.12 -0.46 -0.35 0.00 0.36 0.00 0.00 54.97 54.41 2k5h s GLU 49 Cb 0.06 -0.87 -0.13 0.00 0.26 0.00 0.00 34.13 33.45 2k5h s GLU 49 CO 0.76 0.24 1.75 0.00 -0.54 0.00 0.00 175.26 177.47 2k5h n ALA 50 N 2.65 0.84 -2.67 6.30 0.00 -1.26 -2.78 120.51 123.60 2k5h n ALA 50 Ca -0.14 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 2k5h n ALA 50 Cb 0.56 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 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 2.89 5.15 0.35 0.00 1.01 0.16 -4.26 121.20 126.51 2k5h s ILE 51 Ca 0.89 0.85 0.07 0.00 0.00 0.00 0.00 60.65 62.46 2k5h s ILE 51 Cb -0.73 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 2k5h s ILE 51 CO 0.48 0.22 0.31 -0.94 0.00 0.00 0.00 174.94 175.01 2k5h s SER 52 N 1.09 5.28 0.00 3.58 1.04 -1.25 -0.93 113.70 122.52 2k5h s SER 52 Ca 0.22 -0.52 0.30 0.00 0.48 0.00 0.00 55.95 56.43 2k5h s SER 52 Cb -0.15 -0.92 1.46 0.00 0.10 0.00 0.00 66.02 66.51 2k5h s SER 52 CO 0.09 -0.40 2.02 -0.81 0.98 0.00 0.00 173.24 175.12 2k5h n PRO 53 N -1.41 0.39 -0.09 4.02 -0.04 -1.26 -3.91 135.00 132.70 2k5h n PRO 53 Ca -0.01 -0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2k5h n PRO 53 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.29 0.52 -1.81 0.54 3.00 -1.26 -4.93 117.38 112.15 2k5h n GLN 54 Ca 0.13 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2k5h n GLN 54 Cb 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 28.85 2k5h n GLN 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2k5h n ASN 55 N -4.49 1.94 -4.91 1.08 2.85 -1.25 -5.11 115.26 105.37 2k5h n ASN 55 Ca -0.22 -0.92 -0.30 0.00 -0.11 0.00 0.00 54.58 53.03 2k5h n ASN 55 Cb 0.51 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.49 2k5h n ASN 55 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k5h s SER 56 N -0.84 6.26 0.55 1.20 0.01 -1.26 -3.76 113.70 115.85 2k5h s SER 56 Ca 0.00 0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.52 2k5h s SER 56 Cb 0.00 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.37 2k5h s SER 56 CO 0.00 0.14 0.36 -0.83 0.41 0.00 0.00 173.24 173.32 2k5h s GLY 57 N -2.67 2.47 -0.22 3.44 0.00 0.65 -4.71 107.32 106.28 2k5h s GLY 57 Ca 0.34 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 2k5h s GLY 57 CO 0.27 -1.98 -0.03 1.08 0.00 0.00 0.00 173.10 172.44 2k5h s LEU 58 N -4.24 2.96 0.27 0.66 1.43 -1.12 -0.67 118.68 117.97 2k5h s LEU 58 Ca 0.29 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 2k5h s LEU 58 Cb -0.02 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2k5h s LEU 58 CO 0.18 -0.03 -0.04 0.68 0.23 0.00 0.00 176.35 177.38 2k5h s VAL 59 N 1.48 3.21 -0.14 -1.59 -7.23 -0.12 -0.24 120.40 115.77 2k5h s VAL 59 Ca 0.06 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2k5h s VAL 59 Cb -0.14 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.08 2k5h s VAL 59 CO -0.03 -0.37 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.49 2k5h s LYS 60 N -3.65 2.39 -0.16 4.82 2.20 0.52 0.25 119.74 126.12 2k5h s LYS 60 Ca 0.31 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 2k5h s LYS 60 Cb -0.06 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 2k5h s LYS 60 CO 0.19 -0.19 -0.15 0.08 -0.36 0.00 0.00 175.35 174.92 2k5h s VAL 61 N 1.34 1.69 0.00 4.02 1.01 -0.16 -1.80 120.40 126.51 2k5h s VAL 61 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2k5h s VAL 61 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2k5h s VAL 61 CO -0.09 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 174.78 2k5h n ASP 62 N 4.73 0.00 0.00 3.32 -0.08 -1.26 -2.35 116.55 120.90 2k5h n ASP 62 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2k5h n ASP 62 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 0.00 3.91 0.27 0.00 -1.26 -5.13 105.19 102.97 2k5h n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.47 3.58 -0.21 1.61 2.02 -0.99 -5.06 118.70 119.17 2k5h s GLU 64 Ca 0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.72 2k5h s GLU 64 Cb 0.00 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 2k5h s GLU 64 CO 0.00 0.43 0.13 -0.08 0.02 0.00 0.00 175.26 175.77 2k5h s THR 65 N -1.75 5.28 0.32 3.63 -1.32 -1.26 -0.98 115.64 119.57 2k5h s THR 65 Ca 0.40 0.15 0.10 0.00 -1.21 0.00 0.00 61.69 61.13 2k5h s THR 65 Cb -0.12 -3.43 -0.06 0.00 -1.51 0.00 0.00 72.50 67.39 2k5h s THR 65 CO 0.26 0.40 -0.10 0.26 -2.21 0.00 0.00 174.62 173.24 2k5h s TRP 66 N 0.67 2.42 0.14 9.09 0.52 0.14 -4.92 118.94 126.99 2k5h s TRP 66 Ca 0.07 -0.42 -0.22 0.00 0.02 0.00 0.00 56.10 55.55 2k5h s TRP 66 Cb -0.12 -1.29 -0.07 0.00 -1.15 0.00 0.00 33.47 30.84 2k5h s TRP 66 CO 0.01 0.60 0.69 1.03 0.02 0.00 0.00 176.95 179.30 2k5h s ARG 67 N -3.61 4.38 -0.01 4.98 3.00 -1.25 -0.95 118.95 125.49 2k5h s ARG 67 Ca 0.32 0.95 0.03 0.00 0.00 0.00 0.00 55.73 57.03 2k5h s ARG 67 Cb -0.01 -3.20 -0.01 0.00 0.00 0.00 0.00 34.95 31.74 2k5h s ARG 67 CO 0.17 0.57 -0.08 0.00 0.00 0.00 0.00 175.30 175.96 2k5h s ALA 68 N -1.19 0.69 0.04 2.13 0.00 0.15 0.48 121.76 124.06 2k5h s ALA 68 Ca 0.34 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2k5h s ALA 68 Cb -0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2k5h s ALA 68 CO 0.23 0.17 -0.21 0.95 0.00 0.00 0.00 175.76 176.90 2k5h s THR 69 N -0.21 1.67 0.11 0.00 -4.23 -0.32 -0.25 115.64 112.41 2k5h s THR 69 Ca 0.03 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2k5h s THR 69 Cb -0.03 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.37 2k5h s THR 69 CO -0.00 0.23 0.17 -0.24 -0.54 0.00 0.00 174.62 174.24 2k5h n SER 70 N 1.91 -0.48 -0.48 3.99 2.88 -1.26 -2.60 113.62 117.58 2k5h n SER 70 Ca -0.17 -1.56 0.07 0.00 -1.33 0.00 0.00 58.87 55.88 2k5h n SER 70 Cb 0.53 0.86 0.04 0.00 -0.75 0.00 0.00 64.21 64.89 2k5h n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5h n GLY 71 N -0.17 -0.04 3.37 0.46 0.00 -1.26 -4.18 105.19 103.37 2k5h n GLY 71 Ca -0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.35 1.20 -0.69 2.61 2.01 -1.26 -4.74 115.64 113.41 2k5h s THR 72 Ca 0.15 -2.05 -0.22 0.00 0.31 0.00 0.00 61.69 59.88 2k5h s THR 72 Cb 0.12 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.25 2k5h s THR 72 CO 0.23 -0.26 1.00 -0.69 -0.69 0.00 0.00 174.62 174.22 2k5h s VAL 73 N -3.31 4.32 -0.35 3.82 1.01 -1.25 -4.24 120.40 120.40 2k5h s VAL 73 Ca 0.30 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2k5h s VAL 73 Cb 0.06 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 2k5h s VAL 73 CO 0.11 -1.49 0.54 -0.76 0.00 0.00 0.00 175.10 173.50 2k5h s LEU 74 N 4.06 4.32 0.70 3.92 1.43 -0.10 -4.90 118.68 128.11 2k5h s LEU 74 Ca 0.24 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2k5h s LEU 74 Cb -0.15 -2.63 0.13 0.00 0.03 0.00 0.00 46.19 43.57 2k5h s LEU 74 CO 0.09 -0.50 0.97 -0.62 0.23 0.00 0.00 176.35 176.51 2k5h s ASP 75 N 1.76 4.43 0.09 2.29 2.15 -1.26 0.40 116.67 126.52 2k5h s ASP 75 Ca 0.20 -0.59 -0.31 0.00 0.43 0.00 0.00 52.55 52.28 2k5h s ASP 75 Cb -0.15 0.24 -0.07 0.00 -0.30 0.00 0.00 42.92 42.64 2k5h s ASP 75 CO 0.13 -1.82 1.32 -0.69 -0.17 0.00 0.00 175.17 173.94 2k5h s VAL 76 N -3.05 3.60 0.00 1.11 1.01 -1.26 -2.89 120.40 118.91 2k5h s VAL 76 Ca 0.66 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2k5h s VAL 76 Cb -0.05 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2k5h s VAL 76 CO 0.44 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2k5h n GLY 77 N 3.40 0.57 3.95 4.51 0.00 -0.89 -5.04 105.19 111.69 2k5h n GLY 77 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.63 1.35 0.03 1.61 0.41 -1.14 -4.87 118.70 115.46 2k5h s GLU 78 Ca 0.00 -0.58 0.06 0.00 -0.41 0.00 0.00 54.97 54.04 2k5h s GLU 78 Cb 0.00 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.26 2k5h s GLU 78 CO 0.00 -1.83 -0.18 -1.21 -0.49 0.00 0.00 175.26 171.56 2k5h s GLU 79 N -5.50 1.25 0.22 1.61 2.02 -1.26 -0.78 118.70 116.26 2k5h s GLU 79 Ca 0.68 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.96 2k5h s GLU 79 Cb -0.06 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 2k5h s GLU 79 CO 0.48 0.34 -0.17 0.14 0.02 0.00 0.00 175.26 176.07 2k5h s VAL 80 N -0.72 2.00 -0.12 2.63 -7.23 0.11 -0.63 120.40 116.44 2k5h s VAL 80 Ca 0.06 -2.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.04 2k5h s VAL 80 Cb -0.08 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2k5h s VAL 80 CO 0.01 -0.47 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.55 2k5h s SER 81 N -3.24 3.15 -0.37 4.85 0.15 0.25 0.10 113.70 118.59 2k5h s SER 81 Ca 0.24 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 56.04 2k5h s SER 81 Cb -0.03 -1.44 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 2k5h s SER 81 CO 0.09 0.12 1.02 -0.69 1.20 0.00 0.00 173.24 174.98 2k5h s VAL 82 N 0.56 4.50 -0.13 4.45 1.01 -0.49 -1.53 120.40 128.77 2k5h s VAL 82 Ca -0.13 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.98 2k5h s VAL 82 Cb -0.17 -4.41 -0.26 0.00 0.00 0.00 0.00 36.38 31.54 2k5h s VAL 82 CO 0.04 -0.59 0.73 0.11 0.00 0.00 0.00 175.10 175.39 2k5h h LYS 83 N 8.46 0.07 -2.87 2.72 1.79 -0.92 -0.69 116.57 125.12 2k5h h LYS 83 Ca -0.22 -0.12 0.04 0.00 -2.18 0.00 0.00 60.65 58.17 2k5h h LYS 83 Cb 1.07 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2k5h h LYS 83 CO 1.02 1.06 0.34 0.00 -1.08 0.00 0.00 179.45 180.79 2k5h s ALA 84 N -2.29 -1.02 -0.12 3.86 0.00 -1.21 -4.64 121.76 116.34 2k5h s ALA 84 Ca -0.19 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 2k5h s ALA 84 Cb -0.01 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2k5h s ALA 84 CO 0.71 -1.01 -0.02 0.42 0.00 0.00 0.00 175.76 175.85 2k5h s ILE 85 N -2.54 4.04 -0.61 0.00 1.01 -1.26 -0.60 121.20 121.24 2k5h s ILE 85 Ca 0.16 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2k5h s ILE 85 Cb -0.05 -2.74 0.16 0.00 0.01 0.00 0.00 42.46 39.85 2k5h s ILE 85 CO 0.09 0.54 0.41 -0.70 0.00 0.00 0.00 174.94 175.28 2k5h s GLU 86 N -0.16 2.05 6.69 2.79 -6.30 0.14 -4.90 118.70 119.01 2k5h s GLU 86 Ca 0.04 -2.93 0.00 0.00 -2.50 0.00 0.00 54.97 49.57 2k5h s GLU 86 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 34.13 31.00 2k5h s GLU 86 CO 0.02 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.45 2k5h n GLY 87 N 2.42 2.03 0.75 -1.50 0.00 -1.26 -1.42 105.19 106.20 2k5h n GLY 87 Ca 0.18 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -4.08 1.61 0.31 -1.26 -4.95 118.33 109.96 2k5h n VAL 88 Ca 0.00 -0.39 -0.22 0.00 -0.01 0.00 0.00 64.34 63.72 2k5h n VAL 88 Cb 0.00 1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 34.15 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 -2.15 2.59 0.07 5.55 1.02 -0.51 -3.91 119.74 122.41 2k5h s LYS 89 Ca 0.26 -1.32 0.08 0.00 0.02 0.00 0.00 55.97 55.01 2k5h s LYS 89 Cb 0.20 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 2k5h s LYS 89 CO 0.39 0.24 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.36 2k5h s LEU 90 N -3.84 2.57 -0.46 3.17 1.43 0.18 0.26 118.68 121.98 2k5h s LEU 90 Ca 0.36 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 2k5h s LEU 90 Cb -0.06 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.72 2k5h s LEU 90 CO 0.24 0.23 0.67 -0.69 0.23 0.00 0.00 176.35 177.02 2k5h s VAL 91 N -0.99 4.80 0.11 -1.59 1.01 0.23 -1.17 120.40 122.79 2k5h s VAL 91 Ca 0.15 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.24 2k5h s VAL 91 Cb -0.10 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2k5h s VAL 91 CO 0.07 -0.69 -0.27 0.68 0.00 0.00 0.00 175.10 174.89 2k5h s VAL 92 N 2.89 2.26 0.36 2.92 -7.23 -1.07 -0.19 120.40 120.33 2k5h s VAL 92 Ca 0.22 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.80 2k5h s VAL 92 Cb -0.15 -1.98 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 2k5h s VAL 92 CO 0.18 0.15 0.01 -1.61 -0.31 0.00 0.00 175.10 173.51 2k5h s GLU 93 N -1.90 2.02 -0.09 4.82 2.02 -0.58 -4.57 118.70 120.42 2k5h s GLU 93 Ca 0.14 -1.86 -0.27 0.00 0.02 0.00 0.00 54.97 52.99 2k5h s GLU 93 Cb -0.10 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 2k5h s GLU 93 CO 0.05 0.08 0.90 0.21 0.02 0.00 0.00 175.26 176.52 2k5h s LYS 94 N -3.71 4.42 -0.07 1.61 2.20 -1.26 -0.59 119.74 122.34 2k5h s LYS 94 Ca 0.35 1.20 -0.09 0.00 -0.36 0.00 0.00 55.97 57.07 2k5h s LYS 94 Cb 0.03 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2k5h s LYS 94 CO 0.19 -0.19 0.23 -1.17 -0.36 0.00 0.00 175.35 174.05 2k5h s LEU 95 N 1.61 4.41 0.33 5.43 1.98 0.20 -4.82 118.68 127.81 2k5h s LEU 95 Ca 0.44 0.62 -0.26 0.00 -2.89 0.00 0.00 54.13 52.04 2k5h s LEU 95 Cb -0.18 -2.29 -0.09 0.00 0.66 0.00 0.00 46.19 44.28 2k5h s LEU 95 CO 0.19 0.37 1.00 -0.70 -1.89 0.00 0.00 176.35 175.32 2k5h s GLU 96 N -1.14 4.50 -0.82 1.98 2.56 -1.26 -4.46 118.70 120.05 2k5h s GLU 96 Ca 0.19 1.49 -0.25 0.00 0.00 0.00 0.00 54.97 56.40 2k5h s GLU 96 Cb -0.13 -2.84 -0.02 0.00 2.00 0.00 0.00 34.13 33.14 2k5h s GLU 96 CO 0.08 0.16 1.77 -2.00 -0.56 0.00 0.00 175.26 174.71 2k5h s GLU 97 N -1.98 2.82 -0.27 4.30 -6.30 -1.26 -4.93 118.70 111.07 2k5h s GLU 97 Ca 0.50 -0.17 -0.23 0.00 -2.50 0.00 0.00 54.97 52.58 2k5h s GLU 97 Cb -0.23 -4.82 -0.01 0.00 0.00 0.00 0.00 34.13 29.07 2k5h s GLU 97 CO 0.29 -2.86 0.77 1.14 0.02 0.00 0.00 175.26 174.61 2k5h s GLN 98 N 6.54 4.06 -0.01 4.30 -2.07 -1.26 -5.04 119.66 126.19 2k5h s GLN 98 Ca 0.61 0.69 -0.05 0.00 -1.82 0.00 0.00 55.36 54.80 2k5h s GLN 98 Cb -0.07 -3.69 -0.04 0.00 -1.09 0.00 0.00 33.01 28.12 2k5h s GLN 98 CO 0.06 -0.57 0.23 0.15 -1.32 0.00 0.00 175.29 173.83 2k5h s LYS 99 N 2.83 3.51 0.29 9.60 1.02 -1.26 -5.09 119.74 130.64 2k5h s LYS 99 Ca 0.32 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 56.03 2k5h s LYS 99 Cb -0.15 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 2k5h s LYS 99 CO 0.10 0.67 0.62 0.20 -0.92 0.00 0.00 175.35 176.02 2k5h s GLY 100 N -1.75 2.15 0.00 -3.33 0.00 -1.26 -5.32 107.32 97.81 2k5h s GLY 100 Ca 0.27 -0.26 0.25 0.00 0.00 0.00 0.00 44.72 44.97 2k5h s GLY 100 CO 0.16 -0.11 1.35 -1.14 0.00 0.00 0.00 173.10 173.36