#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 3.55 7.00 3.03 0.00 -1.26 -5.11 105.19 112.40 2ki8 n GLY 2 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ki8 n SER 3 N 0.00 0.00 -2.27 1.61 2.88 -1.26 -4.86 113.62 109.72 2ki8 n SER 3 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 2ki8 n SER 3 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2ki8 n SER 3 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ki8 n SER 4 N 7.29 -4.86 -4.58 -3.46 2.88 -1.26 -4.87 113.62 104.77 2ki8 n SER 4 Ca 0.00 0.14 -0.41 0.00 -1.33 0.00 0.00 58.87 57.27 2ki8 n SER 4 Cb 0.00 -4.12 -0.03 0.00 -0.75 0.00 0.00 64.21 59.31 2ki8 n SER 4 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2ki8 s HIS 5 N -2.77 1.88 0.45 0.66 4.02 -1.26 -4.97 115.29 113.31 2ki8 s HIS 5 Ca 0.00 0.67 0.00 0.00 1.02 0.00 0.00 55.06 56.75 2ki8 s HIS 5 Cb 0.00 -4.17 -0.00 0.00 -1.02 0.00 0.00 32.58 27.39 2ki8 s HIS 5 CO 0.00 -2.44 0.01 0.72 1.02 0.00 0.00 174.74 174.04 2ki8 n HIS 6 N 11.01 1.01 -0.59 1.40 -0.00 -1.26 -5.10 115.22 121.70 2ki8 n HIS 6 Ca 0.20 -2.25 0.07 0.00 -0.00 0.00 0.00 57.72 55.75 2ki8 n HIS 6 Cb 0.49 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.17 2ki8 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ki8 n HIS 7 N -1.12 -1.55 -1.17 4.41 -0.00 -1.26 -5.06 115.22 109.47 2ki8 n HIS 7 Ca -0.18 0.82 0.16 0.00 -0.00 0.00 0.00 57.72 58.52 2ki8 n HIS 7 Cb 0.57 -1.41 -0.04 0.00 -0.00 0.00 0.00 29.99 29.11 2ki8 n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ki8 n HIS 8 N -3.17 -2.96 0.06 4.41 -0.00 -1.26 -4.97 115.22 107.32 2ki8 n HIS 8 Ca -0.02 1.49 0.00 0.00 -0.00 0.00 0.00 57.72 59.19 2ki8 n HIS 8 Cb 0.28 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.58 2ki8 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ki8 n HIS 9 N -3.72 -0.81 0.00 4.41 -0.00 -1.26 -5.04 115.22 108.81 2ki8 n HIS 9 Ca -0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2ki8 n HIS 9 Cb 0.54 0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 2ki8 n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ki8 n HIS 10 N -3.10 -0.23 -4.17 4.41 -0.00 -1.26 -5.15 115.22 105.72 2ki8 n HIS 10 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2ki8 n HIS 10 Cb 0.10 0.39 -0.02 0.00 -0.00 0.00 0.00 29.99 30.46 2ki8 n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2ki8 n SER 11 N -2.28 1.64 -0.12 0.41 3.41 -1.26 -5.06 113.62 110.36 2ki8 n SER 11 Ca 0.00 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 56.91 2ki8 n SER 11 Cb 0.00 0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2ki8 n SER 11 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ki8 h SER 12 N 0.40 0.46 0.00 4.04 4.64 -2.02 -3.47 113.55 117.61 2ki8 h SER 12 Ca -0.10 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2ki8 h SER 12 Cb 0.35 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2ki8 h SER 12 CO 0.17 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2ki8 n GLY 13 N -1.06 3.97 3.60 -0.77 0.00 -1.26 -4.98 105.19 104.69 2ki8 n GLY 13 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2ki8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ki8 s ARG 14 N -4.12 3.85 0.00 1.61 0.52 -1.26 -5.00 118.95 114.55 2ki8 s ARG 14 Ca 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 2ki8 s ARG 14 Cb 0.00 -3.76 0.00 0.00 0.52 0.00 0.00 34.95 31.71 2ki8 s ARG 14 CO 0.00 -0.68 0.50 -1.91 0.02 0.00 0.00 175.30 173.24 2ki8 n GLU 15 N 6.09 0.00 -4.87 3.54 0.00 -1.26 -4.85 120.64 119.28 2ki8 n GLU 15 Ca 0.01 0.36 -0.33 0.00 0.00 0.00 0.00 57.16 57.20 2ki8 n GLU 15 Cb 0.48 -1.16 -0.13 0.00 0.00 0.00 0.00 31.44 30.64 2ki8 n GLU 15 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2ki8 s ASN 16 N -2.19 4.06 -0.11 4.31 3.84 -1.26 -5.12 114.94 118.47 2ki8 s ASN 16 Ca 0.00 -0.19 0.03 0.00 0.21 0.00 0.00 52.86 52.91 2ki8 s ASN 16 Cb 0.00 -0.90 0.01 0.00 -0.55 0.00 0.00 41.25 39.81 2ki8 s ASN 16 CO 0.00 0.34 -0.20 -0.22 -2.79 0.00 0.00 177.10 174.23 2ki8 s LEU 17 N -0.68 1.95 -0.00 3.21 1.98 -1.26 -5.02 118.68 118.86 2ki8 s LEU 17 Ca 0.10 -0.50 0.03 0.00 -2.89 0.00 0.00 54.13 50.87 2ki8 s LEU 17 Cb -0.11 -1.27 0.09 0.00 0.66 0.00 0.00 46.19 45.57 2ki8 s LEU 17 CO 0.01 0.09 1.03 -1.22 -1.89 0.00 0.00 176.35 174.37 2ki8 n TYR 18 N 3.85 0.15 -2.75 5.38 4.02 -1.26 -4.86 117.16 121.68 2ki8 n TYR 18 Ca -0.20 -0.07 -0.20 0.00 -0.01 0.00 0.00 57.90 57.42 2ki8 n TYR 18 Cb 0.52 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.83 2ki8 n TYR 18 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2ki8 n PHE 19 N -0.18 -1.53 -2.89 -0.72 3.72 -1.26 -4.99 117.46 109.61 2ki8 n PHE 19 Ca 0.03 0.25 -0.23 0.00 -0.05 0.00 0.00 57.45 57.46 2ki8 n PHE 19 Cb 0.11 -3.83 0.02 0.00 -0.94 0.00 0.00 39.48 34.84 2ki8 n PHE 19 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2ki8 s GLN 20 N -5.40 2.96 0.22 -1.08 0.74 -1.26 -5.04 119.66 110.80 2ki8 s GLN 20 Ca 0.16 -0.52 -0.32 0.00 0.05 0.00 0.00 55.36 54.73 2ki8 s GLN 20 Cb -0.08 -2.53 -0.13 0.00 1.10 0.00 0.00 33.01 31.37 2ki8 s GLN 20 CO 0.20 -0.37 1.49 0.41 -0.55 0.00 0.00 175.29 176.47 2ki8 n GLY 21 N -2.15 0.97 3.55 2.59 0.00 -1.26 -4.84 105.19 104.06 2ki8 n GLY 21 Ca 0.03 0.54 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 2ki8 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ki8 s HIS 22 N 0.28 1.29 0.29 1.61 2.46 -1.26 -4.94 115.29 115.01 2ki8 s HIS 22 Ca 0.71 1.40 0.06 0.00 0.47 0.00 0.00 55.06 57.70 2ki8 s HIS 22 Cb -0.64 -3.71 -0.02 0.00 -0.13 0.00 0.00 32.58 28.08 2ki8 s HIS 22 CO 0.45 -2.20 0.36 0.00 -2.47 0.00 0.00 174.74 170.88 2ki8 s MET 23 N 8.01 3.12 -0.02 2.88 0.23 -1.26 -4.65 119.30 127.61 2ki8 s MET 23 Ca 0.87 -0.99 0.06 0.00 -1.03 0.00 0.00 55.69 54.60 2ki8 s MET 23 Cb -0.14 -2.74 -0.01 0.00 -1.53 0.00 0.00 34.83 30.41 2ki8 s MET 23 CO 0.18 0.24 -0.20 -0.51 -2.03 0.00 0.00 175.02 172.71 2ki8 s LEU 24 N -4.02 2.02 -0.48 0.18 1.43 -0.29 -4.94 118.68 112.57 2ki8 s LEU 24 Ca 0.39 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 2ki8 s LEU 24 Cb -0.08 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.12 2ki8 s LEU 24 CO 0.29 0.23 1.25 -1.61 0.23 0.00 0.00 176.35 176.73 2ki8 s GLU 25 N -0.38 3.61 0.13 1.70 2.02 -1.26 -1.74 118.70 122.79 2ki8 s GLU 25 Ca 0.05 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.69 2ki8 s GLU 25 Cb -0.09 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2ki8 s GLU 25 CO -0.00 -1.53 -0.10 0.14 0.02 0.00 0.00 175.26 173.79 2ki8 s VAL 26 N 4.95 1.09 -0.31 2.63 -7.23 -0.18 -4.70 120.40 116.65 2ki8 s VAL 26 Ca 0.51 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 2ki8 s VAL 26 Cb -0.09 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2ki8 s VAL 26 CO 0.31 -0.72 0.25 -0.70 -0.31 0.00 0.00 175.10 173.92 2ki8 s GLU 27 N -3.58 3.73 -0.49 4.82 2.12 -0.88 -0.06 118.70 124.36 2ki8 s GLU 27 Ca 0.14 -0.43 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2ki8 s GLU 27 Cb 0.02 -3.74 0.04 0.00 0.26 0.00 0.00 34.13 30.71 2ki8 s GLU 27 CO -0.00 -0.33 0.77 0.08 -0.54 0.00 0.00 175.26 175.23 2ki8 s VAL 28 N 1.81 4.66 0.14 3.70 1.01 0.19 -0.55 120.40 131.35 2ki8 s VAL 28 Ca 0.08 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2ki8 s VAL 28 Cb -0.17 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 2ki8 s VAL 28 CO 0.11 -0.83 0.42 -0.63 0.00 0.00 0.00 175.10 174.17 2ki8 s ILE 29 N 3.24 5.09 -0.37 2.22 1.01 -0.27 0.23 121.20 132.36 2ki8 s ILE 29 Ca 0.25 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 2ki8 s ILE 29 Cb -0.14 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.76 2ki8 s ILE 29 CO 0.19 0.09 0.15 -0.44 0.00 0.00 0.00 174.94 174.93 2ki8 s SER 30 N -2.21 5.34 -0.67 3.58 0.01 -1.24 -0.44 113.70 118.07 2ki8 s SER 30 Ca 0.40 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.02 2ki8 s SER 30 Cb -0.12 -1.88 0.06 0.00 0.21 0.00 0.00 66.02 64.29 2ki8 s SER 30 CO 0.22 -0.41 1.03 -0.83 0.41 0.00 0.00 173.24 173.65 2ki8 s GLY 31 N 1.66 1.27 -0.66 3.44 0.00 -0.00 -4.60 107.32 108.42 2ki8 s GLY 31 Ca 0.01 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 42.75 2ki8 s GLY 31 CO 0.01 2.18 1.78 1.09 0.00 0.00 0.00 173.10 178.16 2ki8 s ARG 32 N 4.39 2.72 0.40 2.90 3.03 -1.26 -0.62 118.95 130.51 2ki8 s ARG 32 Ca 0.25 0.38 0.08 0.00 2.03 0.00 0.00 55.73 58.46 2ki8 s ARG 32 Cb -0.15 -4.44 -0.02 0.00 -1.03 0.00 0.00 34.95 29.32 2ki8 s ARG 32 CO 0.12 -2.70 0.38 0.95 -1.13 0.00 0.00 175.30 172.91 2ki8 s THR 33 N 8.63 2.83 -0.27 4.99 -4.23 -1.26 -4.91 115.64 121.42 2ki8 s THR 33 Ca 0.62 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 2ki8 s THR 33 Cb -0.11 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.71 2ki8 s THR 33 CO 0.17 -0.03 0.08 0.18 -0.54 0.00 0.00 174.62 174.48 2ki8 n LEU 34 N -1.54 -7.42 0.00 4.79 4.32 -1.26 -4.96 117.00 110.93 2ki8 n LEU 34 Ca 0.03 1.71 -0.22 0.00 -0.02 0.00 0.00 56.01 57.51 2ki8 n LEU 34 Cb 0.61 -3.33 0.21 0.00 -1.62 0.00 0.00 43.42 39.29 2ki8 n LEU 34 CO 0.42 -3.48 0.24 0.59 -1.22 0.00 0.00 177.39 173.95 2ki8 n ASN 35 N 1.01 -3.52 0.00 -1.43 4.13 -1.26 -3.98 115.26 110.21 2ki8 n ASN 35 Ca -0.13 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.51 2ki8 n ASN 35 Cb 0.21 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 2ki8 n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ki8 n GLN 36 N -4.25 0.00 0.00 3.52 6.02 -1.26 -4.85 117.38 116.56 2ki8 n GLN 36 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ki8 n GLN 36 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ki8 n GLY 37 N 0.00 2.35 3.56 1.08 0.00 -1.26 -5.16 105.19 105.76 2ki8 n GLY 37 Ca 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.29 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 s ALA 38 N -1.55 -1.88 0.72 4.61 0.00 -1.26 -5.16 121.76 117.23 2ki8 s ALA 38 Ca 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 2ki8 s ALA 38 Cb 0.00 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.48 2ki8 s ALA 38 CO 0.00 -0.72 1.08 0.95 0.00 0.00 0.00 175.76 177.07 2ki8 s THR 39 N -2.95 2.91 0.41 0.00 -4.23 -1.26 -4.95 115.64 105.57 2ki8 s THR 39 Ca 0.07 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.87 2ki8 s THR 39 Cb -0.01 -3.27 0.34 0.00 1.34 0.00 0.00 72.50 70.91 2ki8 s THR 39 CO -0.07 -0.33 1.92 0.58 -0.54 0.00 0.00 174.62 176.18 2ki8 h VAL 40 N -0.69 0.83 -0.57 2.29 2.07 -2.01 -2.07 116.25 116.11 2ki8 h VAL 40 Ca -0.45 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2ki8 h VAL 40 Cb 1.28 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2ki8 h VAL 40 CO 0.63 0.09 0.24 -0.08 0.02 0.00 0.00 177.57 178.48 2ki8 h GLU 41 N 0.50 0.83 0.00 1.57 4.81 -2.00 -1.59 114.58 118.71 2ki8 h GLU 41 Ca 0.37 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2ki8 h GLU 41 Cb 0.74 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2ki8 h GLU 41 CO -0.13 0.71 -0.13 0.93 -0.73 0.00 0.00 179.01 179.66 2ki8 h GLU 42 N 0.77 0.00 -0.26 1.92 3.07 -1.75 -3.13 114.58 115.21 2ki8 h GLU 42 Ca 0.19 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.87 2ki8 h GLU 42 Cb 0.17 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.94 2ki8 h GLU 42 CO -0.02 0.13 -0.56 1.63 -1.40 0.00 0.00 179.01 178.79 2ki8 n LYS 43 N -3.87 2.23 -1.86 2.33 5.02 -0.89 -4.97 118.16 116.14 2ki8 n LYS 43 Ca -0.02 -3.56 -0.22 0.00 -2.02 0.00 0.00 58.31 52.49 2ki8 n LYS 43 Cb 0.22 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.32 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ki8 s LEU 44 N -3.36 2.91 0.17 -0.35 1.43 -0.65 -4.52 118.68 114.31 2ki8 s LEU 44 Ca 0.43 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2ki8 s LEU 44 Cb 0.39 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2ki8 s LEU 44 CO -0.03 -3.48 0.16 0.28 0.23 0.00 0.00 176.35 173.50 2ki8 s THR 45 N 12.75 0.05 0.26 5.49 -1.32 -1.26 -5.04 115.64 126.57 2ki8 s THR 45 Ca 0.77 -1.82 -0.01 0.00 -1.21 0.00 0.00 61.69 59.42 2ki8 s THR 45 Cb -0.06 -2.21 0.24 0.00 -1.51 0.00 0.00 72.50 68.96 2ki8 s THR 45 CO 0.08 -0.21 1.76 -0.08 -2.21 0.00 0.00 174.62 173.96 2ki8 h GLU 46 N 2.66 0.58 -0.51 7.08 4.57 -1.98 -0.57 114.58 126.41 2ki8 h GLU 46 Ca -0.34 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 57.87 2ki8 h GLU 46 Cb 1.23 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2ki8 h GLU 46 CO 0.53 0.38 0.34 0.93 -1.18 0.00 0.00 179.01 180.01 2ki8 h GLU 47 N 0.59 0.40 0.00 1.92 4.39 -1.96 0.24 114.58 120.16 2ki8 h GLU 47 Ca 0.46 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.06 2ki8 h GLU 47 Cb 0.66 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2ki8 h GLU 47 CO -0.37 0.27 -0.38 -0.92 -1.16 0.00 0.00 179.01 176.45 2ki8 h TYR 48 N 0.41 0.00 -0.01 4.33 5.03 -1.34 -0.32 116.97 125.07 2ki8 h TYR 48 Ca 0.22 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.53 2ki8 h TYR 48 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 2ki8 h TYR 48 CO -0.00 0.38 -0.11 0.34 -1.32 0.00 0.00 178.16 177.45 2ki8 n PHE 49 N -3.59 0.00 -0.12 -3.82 7.35 0.63 -3.83 117.46 114.08 2ki8 n PHE 49 Ca -0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.47 2ki8 n PHE 49 Cb 0.49 -0.06 -0.10 0.00 0.35 0.00 0.00 39.48 40.16 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2ki8 n ASN 50 N -0.26 1.99 -0.02 -2.13 3.02 0.09 -4.71 115.26 113.24 2ki8 n ASN 50 Ca 0.16 0.06 -0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2ki8 n ASN 50 Cb 0.34 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 h ALA 51 N -0.40 -0.03 0.00 5.41 0.00 -1.24 -3.37 119.26 119.62 2ki8 h ALA 51 Ca -0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ki8 h ALA 51 Cb 1.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2ki8 h ALA 51 CO -0.22 -0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.33 2ki8 n VAL 52 N -3.68 0.17 -0.32 0.00 0.24 -1.25 -3.81 118.33 109.68 2ki8 n VAL 52 Ca -0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2ki8 n VAL 52 Cb 0.01 -0.57 0.21 0.00 -1.47 0.00 0.00 33.84 32.02 2ki8 n VAL 52 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ki8 n ASN 53 N 0.11 3.34 -4.30 -1.34 5.03 -1.26 -4.57 115.26 112.28 2ki8 n ASN 53 Ca 0.00 -2.12 -0.16 0.00 0.87 0.00 0.00 54.58 53.18 2ki8 n ASN 53 Cb 0.28 -0.33 -0.10 0.00 -1.02 0.00 0.00 39.78 38.61 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ki8 s TYR 54 N -1.21 1.44 -0.03 3.10 -0.85 -1.25 -1.01 117.35 117.53 2ki8 s TYR 54 Ca 0.32 -1.02 0.03 0.00 -0.52 0.00 0.00 57.07 55.88 2ki8 s TYR 54 Cb 0.18 -0.83 0.00 0.00 0.38 0.00 0.00 41.96 41.69 2ki8 s TYR 54 CO 0.19 -0.17 -0.12 0.00 -1.52 0.00 0.00 175.55 173.93 2ki8 s ALA 55 N -3.58 1.13 -0.34 9.51 0.00 0.15 -4.35 121.76 124.27 2ki8 s ALA 55 Ca 0.29 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 2ki8 s ALA 55 Cb 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2ki8 s ALA 55 CO 0.08 0.19 0.46 -1.21 0.00 0.00 0.00 175.76 175.28 2ki8 s GLU 56 N 0.18 3.65 0.11 0.00 2.02 0.31 -0.67 118.70 124.30 2ki8 s GLU 56 Ca -0.04 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.81 2ki8 s GLU 56 Cb -0.10 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2ki8 s GLU 56 CO 0.01 -0.58 -0.01 0.42 0.02 0.00 0.00 175.26 175.12 2ki8 s ILE 57 N 2.27 3.86 0.67 -1.63 1.09 0.54 -1.90 121.20 126.10 2ki8 s ILE 57 Ca 0.17 -1.12 -0.13 0.00 -1.10 0.00 0.00 60.65 58.46 2ki8 s ILE 57 Cb -0.16 -2.86 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 2ki8 s ILE 57 CO 0.12 0.07 1.08 0.21 -0.10 0.00 0.00 174.94 176.33 2ki8 s ASN 58 N -2.43 5.19 0.18 3.58 3.84 -1.26 -1.13 114.94 122.91 2ki8 s ASN 58 Ca 0.25 1.85 -0.14 0.00 0.21 0.00 0.00 52.86 55.04 2ki8 s ASN 58 Cb -0.11 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.21 2ki8 s ASN 58 CO 0.18 -1.57 1.73 -0.08 -2.79 0.00 0.00 177.10 174.57 2ki8 h GLU 59 N -0.25 0.26 0.05 0.43 4.57 -1.88 0.17 114.58 117.93 2ki8 h GLU 59 Ca -0.46 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 2ki8 h GLU 59 Cb 1.23 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 2ki8 h GLU 59 CO 0.55 0.17 -0.17 0.93 -1.18 0.00 0.00 179.01 179.31 2ki8 h GLU 60 N 0.26 -0.30 -0.40 1.92 4.39 -1.98 -0.98 114.58 117.50 2ki8 h GLU 60 Ca 0.22 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 2ki8 h GLU 60 Cb 0.27 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2ki8 h GLU 60 CO -0.27 -0.20 -0.11 -0.44 -1.16 0.00 0.00 179.01 176.83 2ki8 h ASP 61 N -0.31 0.70 -0.31 1.42 5.19 -1.89 -1.14 116.42 120.08 2ki8 h ASP 61 Ca 0.04 -0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.30 2ki8 h ASP 61 Cb 0.35 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 2ki8 h ASP 61 CO -0.13 0.84 0.03 -0.25 -3.12 0.00 0.00 179.24 176.61 2ki8 h TRP 62 N 0.65 0.04 -0.55 4.55 2.91 -0.28 0.29 115.95 123.56 2ki8 h TRP 62 Ca 0.11 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.05 2ki8 h TRP 62 Cb 0.57 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 2ki8 h TRP 62 CO 0.03 -0.02 -0.07 -0.91 -1.03 0.00 0.00 178.44 176.44 2ki8 h ASN 63 N 0.13 0.99 -0.44 2.65 2.35 -1.03 -1.74 115.58 118.49 2ki8 h ASN 63 Ca 0.15 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2ki8 h ASN 63 Cb 0.18 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2ki8 h ASN 63 CO -0.22 1.09 0.25 0.00 -1.65 0.00 0.00 177.43 176.89 2ki8 h ALA 64 N 1.00 1.55 0.00 -0.83 0.00 -0.58 -2.16 119.26 118.24 2ki8 h ALA 64 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ki8 h ALA 64 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ki8 h ALA 64 CO 0.04 0.37 -0.58 1.28 0.00 0.00 0.00 179.25 180.37 2ki8 n LEU 65 N -4.41 0.57 -3.16 0.00 4.77 0.03 -4.98 117.00 109.82 2ki8 n LEU 65 Ca 0.04 0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 2ki8 n LEU 65 Cb 0.11 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2ki8 n LEU 65 CO 0.37 0.05 0.12 0.61 -1.33 0.00 0.00 177.39 177.21 2ki8 n GLY 66 N 1.43 -0.28 3.81 -0.72 0.00 -0.69 -4.77 105.19 103.97 2ki8 n GLY 66 Ca 0.04 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -5.97 4.41 0.17 0.99 1.43 -0.97 -5.06 118.68 113.67 2ki8 s LEU 67 Ca 0.09 1.36 -0.07 0.00 -1.03 0.00 0.00 54.13 54.48 2ki8 s LEU 67 Cb -0.04 -3.38 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2ki8 s LEU 67 CO 0.64 0.11 0.44 -1.58 0.23 0.00 0.00 176.35 176.20 2ki8 s GLN 68 N -1.72 3.70 -0.50 1.70 0.74 -1.26 -4.94 119.66 117.37 2ki8 s GLN 68 Ca 0.39 0.07 -0.26 0.00 0.05 0.00 0.00 55.36 55.61 2ki8 s GLN 68 Cb -0.18 -2.78 -0.06 0.00 1.10 0.00 0.00 33.01 31.09 2ki8 s GLN 68 CO 0.21 0.42 2.34 -1.21 -0.55 0.00 0.00 175.29 176.50 2ki8 s GLU 69 N -2.66 2.17 0.00 1.67 2.02 -1.26 -0.54 118.70 120.10 2ki8 s GLU 69 Ca 0.43 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.75 2ki8 s GLU 69 Cb -0.12 -4.56 0.00 0.00 0.10 0.00 0.00 34.13 29.55 2ki8 s GLU 69 CO 0.23 -3.20 0.00 0.41 0.02 0.00 0.00 175.26 172.72 2ki8 n GLY 70 N 5.96 1.90 3.27 -1.39 0.00 -1.16 -5.08 105.19 108.69 2ki8 n GLY 70 Ca 0.35 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 2ki8 n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ki8 n ASP 71 N 0.02 0.26 -4.23 1.61 -0.08 0.30 -4.73 116.55 109.71 2ki8 n ASP 71 Ca 0.00 -1.50 -0.33 0.00 -1.51 0.00 0.00 54.79 51.45 2ki8 n ASP 71 Cb 0.01 -0.81 -0.15 0.00 2.34 0.00 0.00 41.12 42.50 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2ki8 s ARG 72 N -5.33 3.17 -0.01 -0.67 0.52 -1.26 -0.57 118.95 114.80 2ki8 s ARG 72 Ca 0.62 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 55.15 2ki8 s ARG 72 Cb -0.02 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 2ki8 s ARG 72 CO 0.43 -0.08 -0.24 0.14 0.02 0.00 0.00 175.30 175.58 2ki8 s VAL 73 N 1.05 1.88 -0.18 3.52 -7.23 -0.44 -1.20 120.40 117.80 2ki8 s VAL 73 Ca -0.01 -1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2ki8 s VAL 73 Cb -0.15 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2ki8 s VAL 73 CO -0.04 0.49 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.45 2ki8 s LYS 74 N -0.67 3.56 -0.18 4.82 2.20 -0.17 -0.90 119.74 128.40 2ki8 s LYS 74 Ca 0.09 -0.56 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 2ki8 s LYS 74 Cb -0.09 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2ki8 s LYS 74 CO -0.00 0.08 0.11 0.08 -0.36 0.00 0.00 175.35 175.26 2ki8 s VAL 75 N 0.77 5.25 -0.13 4.02 1.01 -0.42 -2.33 120.40 128.58 2ki8 s VAL 75 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2ki8 s VAL 75 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2ki8 s VAL 75 CO 0.02 0.48 -0.20 -0.54 0.00 0.00 0.00 175.10 174.86 2ki8 s LYS 76 N 0.07 3.12 0.04 2.72 3.01 0.73 -2.18 119.74 127.25 2ki8 s LYS 76 Ca 0.08 -0.82 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 2ki8 s LYS 76 Cb -0.11 -2.44 -0.00 0.00 -1.01 0.00 0.00 37.83 34.26 2ki8 s LYS 76 CO -0.00 0.10 0.01 0.25 0.51 0.00 0.00 175.35 176.21 2ki8 n THR 77 N 3.79 0.00 0.57 2.17 -2.24 -0.30 -0.77 114.28 117.50 2ki8 n THR 77 Ca -0.19 -0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2ki8 n THR 77 Cb 0.52 0.07 0.41 0.00 -2.10 0.00 0.00 70.33 69.23 2ki8 n THR 77 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ki8 n GLU 78 N -0.10 0.06 -0.08 -0.78 0.00 -1.26 -3.54 120.64 114.95 2ki8 n GLU 78 Ca -0.01 0.24 -0.20 0.00 0.00 0.00 0.00 57.16 57.20 2ki8 n GLU 78 Cb 0.06 -1.60 -0.13 0.00 0.00 0.00 0.00 31.44 29.77 2ki8 n GLU 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2ki8 n PHE 79 N -1.71 0.51 0.00 -1.84 3.72 -1.26 -5.11 117.46 111.76 2ki8 n PHE 79 Ca 0.04 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2ki8 n PHE 79 Cb 0.23 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 2ki8 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ki8 n GLY 80 N 2.11 -0.79 3.30 1.37 0.00 -0.92 -4.90 105.19 105.35 2ki8 n GLY 80 Ca -0.41 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2ki8 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ki8 s GLU 81 N -0.52 0.85 -0.05 1.61 -1.05 -1.03 -1.14 118.70 117.37 2ki8 s GLU 81 Ca 0.00 -0.32 -0.26 0.00 -0.15 0.00 0.00 54.97 54.24 2ki8 s GLU 81 Cb 0.00 0.38 0.06 0.00 -0.44 0.00 0.00 34.13 34.13 2ki8 s GLU 81 CO 0.00 -0.28 0.58 0.54 0.95 0.00 0.00 175.26 177.06 2ki8 s VAL 82 N -2.16 0.01 -0.24 1.83 0.11 -0.92 -4.81 120.40 114.22 2ki8 s VAL 82 Ca -0.07 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2ki8 s VAL 82 Cb -0.02 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2ki8 s VAL 82 CO -0.00 -0.07 0.03 -0.69 -3.33 0.00 0.00 175.10 171.04 2ki8 s VAL 83 N -1.14 3.97 0.35 2.04 1.01 -1.26 -1.30 120.40 124.06 2ki8 s VAL 83 Ca -0.11 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2ki8 s VAL 83 Cb -0.02 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2ki8 s VAL 83 CO 0.08 0.36 0.07 0.68 0.00 0.00 0.00 175.10 176.29 2ki8 s VAL 84 N 1.56 1.04 0.33 2.92 -7.23 -0.08 -2.07 120.40 116.87 2ki8 s VAL 84 Ca 0.06 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.96 2ki8 s VAL 84 Cb -0.15 -2.67 -0.09 0.00 0.56 0.00 0.00 36.38 34.03 2ki8 s VAL 84 CO 0.01 0.00 1.01 -0.36 -0.31 0.00 0.00 175.10 175.45 2ki8 s PHE 85 N -3.27 3.58 -0.22 2.82 0.08 -0.18 -1.33 117.98 119.45 2ki8 s PHE 85 Ca 0.32 1.74 -0.17 0.00 0.12 0.00 0.00 56.93 58.95 2ki8 s PHE 85 Cb 0.07 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 2ki8 s PHE 85 CO 0.15 -0.16 0.46 0.00 -0.10 0.00 0.00 175.22 175.57 2ki8 s ALA 86 N -1.49 3.56 0.21 5.36 0.00 0.26 -0.68 121.76 128.99 2ki8 s ALA 86 Ca 0.50 -0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.01 2ki8 s ALA 86 Cb -0.23 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2ki8 s ALA 86 CO 0.29 -0.50 -0.18 0.15 0.00 0.00 0.00 175.76 175.52 2ki8 s LYS 87 N 1.76 1.43 -0.42 0.00 1.02 0.15 -2.97 119.74 120.70 2ki8 s LYS 87 Ca 0.21 -1.57 -0.13 0.00 0.02 0.00 0.00 55.97 54.50 2ki8 s LYS 87 Cb -0.15 -1.44 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 2ki8 s LYS 87 CO 0.09 0.27 0.29 0.21 -0.92 0.00 0.00 175.35 175.30 2ki8 s LYS 88 N -3.24 2.84 0.29 1.68 2.20 -1.26 -0.33 119.74 121.92 2ki8 s LYS 88 Ca 0.22 -1.25 0.03 0.00 -0.36 0.00 0.00 55.97 54.61 2ki8 s LYS 88 Cb -0.04 -3.91 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2ki8 s LYS 88 CO 0.09 -0.88 0.23 0.41 -0.36 0.00 0.00 175.35 174.85 2ki8 n GLY 89 N 5.07 2.84 1.07 5.54 0.00 -0.28 -4.84 105.19 114.59 2ki8 n GLY 89 Ca -0.11 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.71 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ki8 n ASP 90 N -1.95 3.05 -4.78 1.61 8.00 -1.26 -4.51 116.55 116.70 2ki8 n ASP 90 Ca -0.01 -2.34 -0.34 0.00 0.71 0.00 0.00 54.79 52.81 2ki8 n ASP 90 Cb 0.33 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ki8 s VAL 91 N -1.79 3.43 0.67 2.53 -7.23 -1.26 -5.03 120.40 111.73 2ki8 s VAL 91 Ca 0.27 0.80 -0.15 0.00 -1.81 0.00 0.00 61.98 61.10 2ki8 s VAL 91 Cb 0.19 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.84 2ki8 s VAL 91 CO 0.11 -0.28 1.14 -2.84 -0.31 0.00 0.00 175.10 172.92 2ki8 s PRO 92 N -3.58 2.64 0.31 4.82 0.02 -1.26 -4.42 135.00 133.53 2ki8 s PRO 92 Ca 0.69 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 2ki8 s PRO 92 Cb -0.20 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 2ki8 s PRO 92 CO 0.30 -1.39 1.45 1.17 -0.33 0.00 0.00 177.00 178.20 2ki8 n LYS 93 N -2.44 2.38 -1.88 5.54 4.81 -1.26 -1.76 118.16 123.55 2ki8 n LYS 93 Ca 0.11 0.84 -0.09 0.00 -0.87 0.00 0.00 58.31 58.31 2ki8 n LYS 93 Cb 0.51 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.02 2ki8 n LYS 93 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ki8 n GLY 94 N 1.50 0.33 3.27 3.14 0.00 -1.26 -5.03 105.19 107.13 2ki8 n GLY 94 Ca 0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2ki8 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ki8 s MET 95 N -3.90 0.43 0.02 1.61 0.00 -0.72 -2.07 119.30 114.67 2ki8 s MET 95 Ca 0.00 0.59 0.03 0.00 0.00 0.00 0.00 55.69 56.31 2ki8 s MET 95 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.97 2ki8 s MET 95 CO 0.00 -0.08 -0.10 0.96 0.00 0.00 0.00 175.02 175.80 2ki8 s ILE 96 N 0.50 0.73 -0.19 10.11 -4.36 0.29 -4.30 121.20 123.97 2ki8 s ILE 96 Ca -0.02 -0.76 -0.06 0.00 -0.26 0.00 0.00 60.65 59.54 2ki8 s ILE 96 Cb -0.04 -0.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.95 2ki8 s ILE 96 CO -0.03 -0.05 0.04 0.12 0.24 0.00 0.00 174.94 175.26 2ki8 s PHE 97 N -0.75 3.15 -0.08 1.37 5.36 -0.80 -1.11 117.98 125.12 2ki8 s PHE 97 Ca -0.01 -0.15 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 2ki8 s PHE 97 Cb -0.07 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2ki8 s PHE 97 CO 0.00 -0.03 -0.14 0.42 -1.46 0.00 0.00 175.22 174.02 2ki8 s ILE 98 N 0.69 1.28 0.44 3.12 1.01 0.41 -0.53 121.20 127.63 2ki8 s ILE 98 Ca 0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 2ki8 s ILE 98 Cb -0.14 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 2ki8 s ILE 98 CO 0.02 0.39 1.32 -2.65 0.00 0.00 0.00 174.94 174.02 2ki8 n PRO 99 N 3.95 2.00 -1.56 2.79 -0.02 -1.26 -0.82 135.00 140.07 2ki8 n PRO 99 Ca -0.21 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 2ki8 n PRO 99 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2ki8 n PRO 99 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2ki8 n MET 100 N -0.10 1.33 -3.28 -0.52 1.56 0.21 -4.54 117.12 111.78 2ki8 n MET 100 Ca 0.06 0.18 -0.07 0.00 -0.27 0.00 0.00 57.70 57.61 2ki8 n MET 100 Cb 0.40 -3.31 0.02 0.00 2.15 0.00 0.00 33.22 32.49 2ki8 n MET 100 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ki8 n GLY 101 N 5.96 1.13 0.34 -5.12 0.00 -1.26 -4.84 105.19 101.40 2ki8 n GLY 101 Ca 0.35 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 45.26 2ki8 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ki8 h PRO 102 N 0.00 0.54 -0.12 1.61 0.13 -1.89 0.18 132.00 132.45 2ki8 h PRO 102 Ca -0.27 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2ki8 h PRO 102 Cb 1.01 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2ki8 h PRO 102 CO 0.34 0.36 0.03 1.88 -0.23 0.00 0.00 178.00 180.38 2ki8 h TYR 103 N 0.56 0.05 -0.60 1.56 -1.99 -1.91 -2.63 116.97 112.00 2ki8 h TYR 103 Ca 0.26 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.97 2ki8 h TYR 103 Cb 0.32 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 2ki8 h TYR 103 CO -0.00 0.02 0.25 0.00 -0.00 0.00 0.00 178.16 178.43 2ki8 h ALA 104 N 1.09 0.78 0.00 3.88 0.00 -1.44 -2.60 119.26 120.97 2ki8 h ALA 104 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ki8 h ALA 104 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ki8 h ALA 104 CO -0.07 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2ki8 n ASN 105 N -4.47 0.00 0.17 0.00 3.02 -0.08 -0.42 115.26 113.48 2ki8 n ASN 105 Ca 0.04 0.35 0.11 0.00 -0.03 0.00 0.00 54.58 55.05 2ki8 n ASN 105 Cb 0.16 -0.37 0.09 0.00 -0.61 0.00 0.00 39.78 39.05 2ki8 n ASN 105 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2ki8 h MET 106 N 0.00 0.00 0.00 3.52 2.86 -1.17 -3.40 114.93 116.75 2ki8 h MET 106 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ki8 h MET 106 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ki8 h MET 106 CO 0.00 0.02 -0.10 1.33 1.06 0.00 0.00 176.91 179.22 2ki8 n VAL 107 N -2.93 0.00 -2.84 -2.22 0.24 0.21 -2.18 118.33 108.61 2ki8 n VAL 107 Ca 0.02 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 2ki8 n VAL 107 Cb 0.55 0.84 0.08 0.00 -1.47 0.00 0.00 33.84 33.84 2ki8 n VAL 107 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2ki8 n ILE 108 N -0.51 0.00 -3.09 1.34 -5.35 0.44 -4.62 119.36 107.58 2ki8 n ILE 108 Ca 0.00 -1.66 -0.43 0.00 -0.27 0.00 0.00 62.75 60.39 2ki8 n ILE 108 Cb 0.00 -0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 37.13 2ki8 n ILE 108 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2ki8 s ASP 109 N -4.55 6.29 0.00 7.28 2.15 -1.26 -4.85 116.67 121.73 2ki8 s ASP 109 Ca 0.59 -0.52 0.14 0.00 0.43 0.00 0.00 52.55 53.19 2ki8 s ASP 109 Cb -0.04 -2.32 0.77 0.00 -0.30 0.00 0.00 42.92 41.03 2ki8 s ASP 109 CO 0.38 -0.87 1.51 -0.81 -0.17 0.00 0.00 175.17 175.21 2ki8 n PRO 110 N 6.38 1.13 0.02 4.34 -0.04 -1.26 -3.80 135.00 141.77 2ki8 n PRO 110 Ca -0.03 -0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 2ki8 n PRO 110 Cb 0.47 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 2ki8 n PRO 110 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ki8 h SER 111 N 0.37 0.69 -4.02 3.54 0.87 -2.03 -3.44 113.55 109.52 2ki8 h SER 111 Ca 0.00 -0.45 -0.48 0.00 -1.23 0.00 0.00 61.79 59.62 2ki8 h SER 111 Cb 0.08 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2ki8 h SER 111 CO 0.00 1.22 0.28 0.28 -0.53 0.00 0.00 176.83 178.09 2ki8 s THR 112 N -3.66 4.63 -1.46 2.23 -1.32 -1.25 -5.00 115.64 109.82 2ki8 s THR 112 Ca -0.08 0.98 0.12 0.00 -1.21 0.00 0.00 61.69 61.51 2ki8 s THR 112 Cb 0.10 -3.73 0.15 0.00 -1.51 0.00 0.00 72.50 67.51 2ki8 s THR 112 CO 0.87 -0.65 0.98 0.47 -2.21 0.00 0.00 174.62 174.08 2ki8 n ASP 113 N -1.54 2.26 -3.45 8.08 8.00 -1.26 -5.00 116.55 123.64 2ki8 n ASP 113 Ca 0.05 -1.63 -0.18 0.00 0.71 0.00 0.00 54.79 53.74 2ki8 n ASP 113 Cb 0.54 -0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.67 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ki8 n GLY 114 N 0.70 -0.39 3.87 0.44 0.00 -1.26 -5.00 105.19 103.54 2ki8 n GLY 114 Ca 0.09 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ki8 s THR 115 N -3.35 5.31 0.00 2.61 2.01 -1.26 -4.93 115.64 116.03 2ki8 s THR 115 Ca 0.09 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2ki8 s THR 115 Cb -0.04 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.94 2ki8 s THR 115 CO 0.73 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.83 2ki8 n GLY 116 N 1.78 0.85 3.81 4.40 0.00 -1.26 -4.98 105.19 109.79 2ki8 n GLY 116 Ca -0.17 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N 0.00 4.31 -0.79 1.61 -1.94 -1.26 -4.99 119.30 116.23 2ki8 s MET 117 Ca 0.00 0.96 -0.26 0.00 -1.71 0.00 0.00 55.69 54.68 2ki8 s MET 117 Cb 0.00 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 34.01 2ki8 s MET 117 CO 0.00 0.36 1.54 -1.25 -0.01 0.00 0.00 175.02 175.66 2ki8 s PRO 118 N -2.04 3.05 0.77 2.03 0.04 -1.26 -5.00 135.00 132.60 2ki8 s PRO 118 Ca 0.45 -0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.23 2ki8 s PRO 118 Cb -0.17 -4.60 0.15 0.00 0.04 0.00 0.00 34.50 29.93 2ki8 s PRO 118 CO 0.21 -2.46 1.07 -0.65 0.04 0.00 0.00 177.00 175.20 2ki8 s GLN 119 N 6.06 1.43 -0.06 4.56 -0.21 -1.26 -5.05 119.66 125.14 2ki8 s GLN 119 Ca 0.50 -1.02 0.08 0.00 0.02 0.00 0.00 55.36 54.94 2ki8 s GLN 119 Cb -0.07 -2.24 0.12 0.00 1.00 0.00 0.00 33.01 31.82 2ki8 s GLN 119 CO 0.09 -1.67 1.03 0.34 -2.12 0.00 0.00 175.29 172.96 2ki8 n PHE 120 N -3.03 0.00 -2.95 0.91 7.35 -1.26 -5.08 117.46 113.40 2ki8 n PHE 120 Ca 0.16 -0.46 -0.39 0.00 -0.76 0.00 0.00 57.45 56.00 2ki8 n PHE 120 Cb 0.60 -0.09 -0.06 0.00 0.35 0.00 0.00 39.48 40.28 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2ki8 s LYS 121 N -1.30 4.55 0.44 -4.13 2.47 -1.26 -5.01 119.74 115.50 2ki8 s LYS 121 Ca 0.14 1.17 0.03 0.00 -1.56 0.00 0.00 55.97 55.75 2ki8 s LYS 121 Cb 0.12 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.34 2ki8 s LYS 121 CO 0.01 0.50 0.11 0.41 0.16 0.00 0.00 175.35 176.54 2ki8 n GLY 122 N 1.31 3.31 3.65 5.54 0.00 -1.26 -4.64 105.19 113.09 2ki8 n GLY 122 Ca -0.04 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 2ki8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ki8 s VAL 123 N -3.04 5.17 0.42 1.61 1.01 0.14 -4.76 120.40 120.95 2ki8 s VAL 123 Ca 0.16 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 2ki8 s VAL 123 Cb 0.01 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2ki8 s VAL 123 CO 0.11 0.20 1.04 -0.54 0.00 0.00 0.00 175.10 175.92 2ki8 s LYS 124 N 1.63 4.07 0.00 2.72 1.02 -1.26 0.53 119.74 128.45 2ki8 s LYS 124 Ca 0.19 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.63 2ki8 s LYS 124 Cb -0.15 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2ki8 s LYS 124 CO 0.09 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 2ki8 n GLY 125 N 0.15 1.97 3.20 -3.33 0.00 0.91 -4.72 105.19 103.36 2ki8 n GLY 125 Ca 0.06 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N -2.21 1.57 0.04 2.61 -4.23 0.05 -1.01 115.64 112.46 2ki8 s THR 126 Ca 0.00 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2ki8 s THR 126 Cb 0.00 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 2ki8 s THR 126 CO 0.00 0.44 -0.18 0.54 -0.54 0.00 0.00 174.62 174.88 2ki8 s VAL 127 N -0.34 1.45 0.08 2.29 0.11 -0.71 -0.19 120.40 123.09 2ki8 s VAL 127 Ca 0.05 -1.08 -0.19 0.00 -2.93 0.00 0.00 61.98 57.83 2ki8 s VAL 127 Cb -0.09 -1.27 0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2ki8 s VAL 127 CO 0.00 0.16 0.46 -1.83 -3.33 0.00 0.00 175.10 170.56 2ki8 s GLU 128 N -1.07 1.04 0.33 1.54 -1.05 -0.99 -1.14 118.70 117.35 2ki8 s GLU 128 Ca 0.05 -0.45 -0.28 0.00 -0.15 0.00 0.00 54.97 54.15 2ki8 s GLU 128 Cb -0.08 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 2ki8 s GLU 128 CO 0.01 -0.39 1.15 0.21 0.95 0.00 0.00 175.26 177.19 2ki8 s LYS 129 N -3.02 4.41 0.15 -4.83 2.20 -1.26 -1.00 119.74 116.40 2ki8 s LYS 129 Ca -0.02 1.85 0.04 0.00 -0.36 0.00 0.00 55.97 57.48 2ki8 s LYS 129 Cb 0.00 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2ki8 s LYS 129 CO -0.06 -0.02 -0.08 -0.08 -0.36 0.00 0.00 175.35 174.75 2ki8 s THR 130 N -1.27 1.08 -0.92 3.43 -1.32 -0.34 -4.82 115.64 111.48 2ki8 s THR 130 Ca 0.49 -2.04 0.24 0.00 -1.21 0.00 0.00 61.69 59.17 2ki8 s THR 130 Cb -0.32 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 2ki8 s THR 130 CO 0.41 -0.70 1.27 0.47 -2.21 0.00 0.00 174.62 173.86 2ki8 n ASP 131 N -0.21 0.62 -4.62 8.08 9.92 -1.26 -4.61 116.55 124.47 2ki8 n ASP 131 Ca -0.10 -0.35 -0.29 0.00 -0.53 0.00 0.00 54.79 53.52 2ki8 n ASP 131 Cb 0.61 0.45 0.20 0.00 -0.64 0.00 0.00 41.12 41.74 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ki8 s GLU 132 N -3.04 0.11 0.35 -1.24 2.02 -1.26 -5.04 118.70 110.61 2ki8 s GLU 132 Ca 0.09 0.72 -0.12 0.00 0.02 0.00 0.00 54.97 55.69 2ki8 s GLU 132 Cb 0.17 -1.68 -0.07 0.00 0.10 0.00 0.00 34.13 32.64 2ki8 s GLU 132 CO 0.75 -3.00 0.73 -1.59 0.02 0.00 0.00 175.26 172.16 2ki8 s LYS 133 N -4.77 3.85 0.17 1.61 0.00 -1.26 -4.94 119.74 114.39 2ki8 s LYS 133 Ca 0.66 0.49 -0.32 0.00 0.00 0.00 0.00 55.97 56.81 2ki8 s LYS 133 Cb -0.21 -2.44 -0.10 0.00 0.00 0.00 0.00 37.83 35.08 2ki8 s LYS 133 CO 0.60 0.07 1.63 0.08 0.00 0.00 0.00 175.35 177.73 2ki8 s VAL 134 N -2.17 2.50 -0.85 1.79 1.01 -1.26 -4.80 120.40 116.61 2ki8 s VAL 134 Ca 0.51 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.56 2ki8 s VAL 134 Cb -0.10 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2ki8 s VAL 134 CO 0.26 0.02 2.08 -0.76 0.00 0.00 0.00 175.10 176.70 2ki8 s LEU 135 N 1.37 3.09 0.54 3.92 1.43 -0.88 -4.94 118.68 123.22 2ki8 s LEU 135 Ca 0.72 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 2ki8 s LEU 135 Cb -0.45 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 2ki8 s LEU 135 CO 0.32 -3.05 0.59 -1.20 0.23 0.00 0.00 176.35 173.24 2ki8 n SER 136 N 15.28 -0.72 -0.29 2.29 7.64 -1.26 -4.39 113.62 132.16 2ki8 n SER 136 Ca 0.41 0.79 0.12 0.00 1.01 0.00 0.00 58.87 61.20 2ki8 n SER 136 Cb 0.46 -1.19 0.27 0.00 -1.01 0.00 0.00 64.21 62.74 2ki8 n SER 136 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2ki8 h VAL 137 N 0.44 0.29 -0.15 0.44 2.07 -1.94 0.30 116.25 117.70 2ki8 h VAL 137 Ca -0.45 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 2ki8 h VAL 137 Cb 1.39 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2ki8 h VAL 137 CO 0.49 0.03 -0.38 0.50 0.02 0.00 0.00 177.57 178.23 2ki8 h LYS 138 N 0.17 0.53 -0.23 1.57 3.64 -2.01 -3.00 116.57 117.24 2ki8 h LYS 138 Ca 0.54 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2ki8 h LYS 138 Cb 1.07 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2ki8 h LYS 138 CO -0.68 0.98 0.09 1.49 -2.27 0.00 0.00 179.45 179.06 2ki8 h GLU 139 N 0.16 0.32 -0.50 1.90 4.57 -1.03 -0.48 114.58 119.50 2ki8 h GLU 139 Ca -0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 2ki8 h GLU 139 Cb 0.99 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2ki8 h GLU 139 CO 0.08 0.27 -0.03 1.25 -1.18 0.00 0.00 179.01 179.40 2ki8 h LEU 140 N 0.32 0.85 -0.60 1.64 6.46 -0.55 0.30 115.31 123.73 2ki8 h LEU 140 Ca 0.08 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2ki8 h LEU 140 Cb 0.07 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 2ki8 h LEU 140 CO -0.01 0.93 0.39 -0.07 -0.62 0.00 0.00 178.44 179.06 2ki8 h LEU 141 N 0.80 0.70 -0.66 2.25 3.38 -0.96 -1.34 115.31 119.48 2ki8 h LEU 141 Ca 0.15 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2ki8 h LEU 141 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ki8 h LEU 141 CO 0.03 0.52 -0.31 -0.33 0.09 0.00 0.00 178.44 178.43 2ki8 h GLU 142 N 0.82 0.70 -0.31 1.13 4.39 -1.09 0.14 114.58 120.36 2ki8 h GLU 142 Ca 0.22 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2ki8 h GLU 142 Cb -0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2ki8 h GLU 142 CO -0.05 0.92 0.21 0.00 -1.16 0.00 0.00 179.01 178.93 2ki8 h ALA 143 N 1.06 0.40 0.00 3.43 0.00 0.02 -2.61 119.26 121.56 2ki8 h ALA 143 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2ki8 h ALA 143 Cb 0.83 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ki8 h ALA 143 CO 0.07 -0.13 -0.39 -0.84 0.00 0.00 0.00 179.25 177.96 2ki8 h ILE 144 N 0.43 0.67 -4.25 0.00 -0.00 -1.25 -3.49 117.51 109.62 2ki8 h ILE 144 Ca 0.12 -1.93 -0.20 0.00 -0.00 0.00 0.00 64.86 62.84 2ki8 h ILE 144 Cb -0.05 2.32 0.10 0.00 -0.00 0.00 0.00 36.82 39.20 2ki8 h ILE 144 CO -0.02 0.38 -0.47 0.61 -0.00 0.00 0.00 178.15 178.64 2ki8 n GLY 145 N 1.18 -0.07 0.00 0.16 0.00 0.49 -5.10 105.19 101.86 2ki8 n GLY 145 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06