#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 0.74 3.29 3.03 0.00 -1.26 -5.11 105.19 105.88 2ki8 n GLY 2 Ca 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ki8 s SER 3 N 0.00 1.13 -0.01 1.61 1.04 -1.26 -5.18 113.70 111.04 2ki8 s SER 3 Ca 0.00 -1.34 -0.05 0.00 0.48 0.00 0.00 55.95 55.04 2ki8 s SER 3 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2ki8 s SER 3 CO 0.00 -0.70 0.10 -0.55 0.98 0.00 0.00 173.24 173.07 2ki8 s SER 4 N -3.27 0.01 -0.37 7.02 0.15 -1.26 -5.08 113.70 110.91 2ki8 s SER 4 Ca 0.35 -0.11 0.13 0.00 0.70 0.00 0.00 55.95 57.02 2ki8 s SER 4 Cb 0.07 0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.97 2ki8 s SER 4 CO 0.11 -0.25 0.82 1.41 1.20 0.00 0.00 173.24 176.53 2ki8 n HIS 5 N 1.98 0.73 -2.07 3.44 -0.00 -1.26 -5.08 115.22 112.97 2ki8 n HIS 5 Ca -0.20 -3.50 -0.39 0.00 -0.00 0.00 0.00 57.72 53.64 2ki8 n HIS 5 Cb 0.57 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 2ki8 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ki8 s HIS 6 N -2.71 1.69 -0.29 4.41 -0.00 -1.26 -4.89 115.29 112.24 2ki8 s HIS 6 Ca 0.37 0.74 -0.15 0.00 -0.00 0.00 0.00 55.06 56.01 2ki8 s HIS 6 Cb 0.38 -4.12 0.13 0.00 -0.00 0.00 0.00 32.58 28.97 2ki8 s HIS 6 CO -0.05 -2.30 0.86 -1.58 -0.00 0.00 0.00 174.74 171.68 2ki8 s HIS 7 N 8.91 -0.81 -0.18 0.38 5.65 -1.26 -5.18 115.29 122.80 2ki8 s HIS 7 Ca 0.65 1.56 -0.26 0.00 0.25 0.00 0.00 55.06 57.26 2ki8 s HIS 7 Cb -0.12 0.49 0.07 0.00 -1.18 0.00 0.00 32.58 31.83 2ki8 s HIS 7 CO 0.20 -0.40 0.67 -3.38 -0.65 0.00 0.00 174.74 171.18 2ki8 s HIS 8 N 1.75 -0.70 -0.02 3.88 -0.00 -1.26 -5.06 115.29 113.88 2ki8 s HIS 8 Ca -0.08 1.55 -0.17 0.00 -0.00 0.00 0.00 55.06 56.36 2ki8 s HIS 8 Cb -0.05 0.30 -0.33 0.00 -0.00 0.00 0.00 32.58 32.50 2ki8 s HIS 8 CO -0.17 -0.45 0.88 1.12 -0.00 0.00 0.00 174.74 176.12 2ki8 h HIS 9 N 4.33 0.78 0.00 0.38 -0.00 -2.04 -3.47 115.15 115.12 2ki8 h HIS 9 Ca -0.28 -0.57 0.00 0.00 -0.00 0.00 0.00 60.37 59.52 2ki8 h HIS 9 Cb 1.16 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2ki8 h HIS 9 CO 0.39 1.51 0.00 1.58 -0.00 0.00 0.00 177.93 181.41 2ki8 n HIS 10 N -3.84 0.00 -2.58 6.12 -0.00 -1.26 -4.88 115.22 108.78 2ki8 n HIS 10 Ca -0.18 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.59 2ki8 n HIS 10 Cb 1.00 -1.40 -0.03 0.00 -0.12 0.00 0.00 29.99 29.45 2ki8 n HIS 10 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2ki8 s SER 11 N -2.02 6.46 -0.32 0.26 1.04 -1.26 -4.82 113.70 113.04 2ki8 s SER 11 Ca 0.00 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.06 2ki8 s SER 11 Cb 0.00 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.75 2ki8 s SER 11 CO 0.00 -1.54 0.86 -0.55 0.98 0.00 0.00 173.24 173.00 2ki8 s SER 12 N 4.73 -0.89 0.59 7.02 0.15 -1.26 -5.18 113.70 118.87 2ki8 s SER 12 Ca 0.44 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 57.08 2ki8 s SER 12 Cb -0.01 1.41 0.09 0.00 -1.71 0.00 0.00 66.02 65.79 2ki8 s SER 12 CO -0.06 -0.14 0.82 -0.83 1.20 0.00 0.00 173.24 174.22 2ki8 s GLY 13 N 2.56 1.75 0.37 9.45 0.00 -1.26 -5.14 107.32 115.05 2ki8 s GLY 13 Ca 0.19 -2.03 -0.14 0.00 0.00 0.00 0.00 44.72 42.73 2ki8 s GLY 13 CO -0.20 -1.57 0.73 1.09 0.00 0.00 0.00 173.10 173.15 2ki8 s ARG 14 N -4.74 2.13 0.16 2.90 1.70 -1.26 -5.18 118.95 114.67 2ki8 s ARG 14 Ca 0.62 -1.43 0.07 0.00 -0.47 0.00 0.00 55.73 54.52 2ki8 s ARG 14 Cb -0.06 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 2ki8 s ARG 14 CO 0.40 -0.98 0.01 -1.21 -1.08 0.00 0.00 175.30 172.43 2ki8 s GLU 15 N -2.62 2.44 0.23 3.89 2.02 -1.26 -5.14 118.70 118.26 2ki8 s GLU 15 Ca 0.17 -1.06 0.09 0.00 0.02 0.00 0.00 54.97 54.19 2ki8 s GLU 15 Cb -0.04 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 2ki8 s GLU 15 CO 0.12 0.47 -0.16 0.54 0.02 0.00 0.00 175.26 176.24 2ki8 s ASN 16 N -2.87 2.91 -0.10 -0.19 2.20 -1.26 -5.15 114.94 110.48 2ki8 s ASN 16 Ca 0.27 -1.02 -0.04 0.00 -0.94 0.00 0.00 52.86 51.14 2ki8 s ASN 16 Cb -0.10 -0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 38.93 2ki8 s ASN 16 CO 0.19 -0.10 0.04 -0.76 -2.94 0.00 0.00 177.10 173.53 2ki8 s LEU 17 N -3.35 3.81 -0.07 3.54 1.02 -1.26 -5.09 118.68 117.28 2ki8 s LEU 17 Ca 0.25 0.22 -0.30 0.00 0.02 0.00 0.00 54.13 54.32 2ki8 s LEU 17 Cb -0.02 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 2ki8 s LEU 17 CO 0.09 0.37 1.13 -0.31 0.02 0.00 0.00 176.35 177.65 2ki8 s TYR 18 N -0.80 3.31 -0.11 0.29 2.02 -1.26 -5.03 117.35 115.77 2ki8 s TYR 18 Ca 0.13 1.35 0.03 0.00 -0.37 0.00 0.00 57.07 58.20 2ki8 s TYR 18 Cb -0.12 -3.34 -0.00 0.00 -0.40 0.00 0.00 41.96 38.10 2ki8 s TYR 18 CO 0.03 -0.93 -0.20 0.12 -1.57 0.00 0.00 175.55 172.99 2ki8 s PHE 19 N 2.09 2.65 -0.10 2.71 5.36 -1.26 -5.12 117.98 124.31 2ki8 s PHE 19 Ca 0.53 -0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 55.53 2ki8 s PHE 19 Cb -0.23 -1.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.75 2ki8 s PHE 19 CO 0.21 -0.37 0.20 -0.65 -1.46 0.00 0.00 175.22 173.15 2ki8 s GLN 20 N 0.37 0.09 0.00 10.12 -0.21 -1.26 -5.07 119.66 123.71 2ki8 s GLN 20 Ca -0.16 0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.82 2ki8 s GLN 20 Cb -0.17 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.66 2ki8 s GLN 20 CO 0.07 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 2ki8 n GLY 21 N 5.13 1.74 3.56 3.09 0.00 -1.26 -5.03 105.19 112.42 2ki8 n GLY 21 Ca -0.09 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 1.57 0.36 1.61 2.46 -1.26 -4.95 115.29 115.09 2ki8 s HIS 22 Ca 0.00 1.11 -0.28 0.00 0.47 0.00 0.00 55.06 56.36 2ki8 s HIS 22 Cb 0.00 -3.83 -0.10 0.00 -0.13 0.00 0.00 32.58 28.52 2ki8 s HIS 22 CO 0.00 -1.69 1.35 0.00 -2.47 0.00 0.00 174.74 171.92 2ki8 s MET 23 N 7.66 4.20 -0.19 2.88 0.23 -1.26 -4.86 119.30 127.96 2ki8 s MET 23 Ca 0.78 2.28 -0.08 0.00 -1.03 0.00 0.00 55.69 57.64 2ki8 s MET 23 Cb -0.09 -2.96 -0.04 0.00 -1.53 0.00 0.00 34.83 30.20 2ki8 s MET 23 CO 0.03 -0.35 0.09 -0.51 -2.03 0.00 0.00 175.02 172.25 2ki8 s LEU 24 N -2.03 3.98 -0.30 0.18 1.43 -0.54 -4.91 118.68 116.49 2ki8 s LEU 24 Ca 0.52 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.48 2ki8 s LEU 24 Cb -0.41 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 2ki8 s LEU 24 CO 0.54 0.19 1.34 -0.70 0.23 0.00 0.00 176.35 177.94 2ki8 s GLU 25 N 0.31 3.88 0.21 1.70 2.12 -1.26 -0.29 118.70 125.36 2ki8 s GLU 25 Ca 0.05 1.26 0.08 0.00 0.36 0.00 0.00 54.97 56.72 2ki8 s GLU 25 Cb -0.12 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 2ki8 s GLU 25 CO -0.01 -1.17 -0.15 0.14 -0.54 0.00 0.00 175.26 173.54 2ki8 s VAL 26 N 4.52 1.78 -0.37 3.70 -7.23 0.12 -4.67 120.40 118.25 2ki8 s VAL 26 Ca 0.58 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2ki8 s VAL 26 Cb -0.17 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.71 2ki8 s VAL 26 CO 0.24 -0.58 0.28 -0.70 -0.31 0.00 0.00 175.10 174.03 2ki8 s GLU 27 N -3.63 3.28 -0.27 4.82 2.12 -0.78 -0.07 118.70 124.18 2ki8 s GLU 27 Ca 0.23 -0.78 -0.21 0.00 0.36 0.00 0.00 54.97 54.56 2ki8 s GLU 27 Cb -0.01 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 2ki8 s GLU 27 CO 0.07 -0.58 0.69 0.08 -0.54 0.00 0.00 175.26 174.98 2ki8 s VAL 28 N 1.74 4.92 0.29 3.70 1.01 0.16 -0.91 120.40 131.32 2ki8 s VAL 28 Ca 0.06 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.30 2ki8 s VAL 28 Cb -0.18 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2ki8 s VAL 28 CO 0.11 -0.05 0.21 -0.63 0.00 0.00 0.00 175.10 174.73 2ki8 s ILE 29 N 2.64 3.89 -0.24 2.22 1.01 -0.61 0.23 121.20 130.34 2ki8 s ILE 29 Ca 0.28 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 2ki8 s ILE 29 Cb -0.15 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.16 2ki8 s ILE 29 CO 0.09 -0.27 0.04 -0.44 0.00 0.00 0.00 174.94 174.36 2ki8 s SER 30 N -3.89 3.46 -0.41 3.58 0.01 -1.24 -1.04 113.70 114.16 2ki8 s SER 30 Ca 0.36 -1.16 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 2ki8 s SER 30 Cb -0.06 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.39 2ki8 s SER 30 CO 0.25 -0.33 0.58 -0.83 0.41 0.00 0.00 173.24 173.32 2ki8 s GLY 31 N 1.69 1.77 -1.31 3.44 0.00 -0.94 -4.64 107.32 107.32 2ki8 s GLY 31 Ca 0.02 -1.20 -0.16 0.00 0.00 0.00 0.00 44.72 43.37 2ki8 s GLY 31 CO -0.13 1.41 1.79 -2.13 0.00 0.00 0.00 173.10 174.04 2ki8 n ARG 32 N 6.03 3.18 -0.09 2.90 0.63 -1.26 -1.76 116.66 126.29 2ki8 n ARG 32 Ca -0.03 -3.26 -0.08 0.00 -0.92 0.00 0.00 57.85 53.56 2ki8 n ARG 32 Cb 0.48 -3.37 -0.16 0.00 0.45 0.00 0.00 32.46 29.86 2ki8 n ARG 32 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2ki8 n THR 33 N 5.76 1.28 -0.04 5.15 5.66 -1.26 -4.44 114.28 126.39 2ki8 n THR 33 Ca 0.47 -0.83 -0.01 0.00 -3.05 0.00 0.00 64.05 60.64 2ki8 n THR 33 Cb 0.44 -0.44 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ki8 n THR 33 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2ki8 h LEU 34 N 0.00 0.00 -5.29 1.09 7.12 -1.87 -3.40 115.31 112.96 2ki8 h LEU 34 Ca -0.49 0.00 -0.68 0.00 0.13 0.00 0.00 57.88 56.83 2ki8 h LEU 34 Cb 2.13 0.00 -0.20 0.00 -0.53 0.00 0.00 40.66 42.07 2ki8 h LEU 34 CO 0.03 0.39 1.26 -0.46 -0.13 0.00 0.00 178.44 179.52 2ki8 n ASN 35 N -3.85 7.33 0.23 1.25 6.94 -1.26 -4.73 115.26 121.16 2ki8 n ASN 35 Ca -0.01 -3.40 0.07 0.00 -0.02 0.00 0.00 54.58 51.22 2ki8 n ASN 35 Cb 0.05 -1.23 0.55 0.00 -2.36 0.00 0.00 39.78 36.79 2ki8 n ASN 35 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2ki8 h GLN 36 N 3.72 0.00 0.00 -3.83 4.20 -1.78 -3.31 115.11 114.11 2ki8 h GLN 36 Ca 0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.26 2ki8 h GLN 36 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2ki8 h GLN 36 CO 1.22 0.20 -0.21 0.41 -0.67 0.00 0.00 178.83 179.78 2ki8 n GLY 37 N -0.80 -1.47 3.17 3.46 0.00 -1.26 -5.07 105.19 103.22 2ki8 n GLY 37 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.29 0.71 4.61 0.00 -1.25 -5.17 121.76 120.36 2ki8 s ALA 38 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 2ki8 s ALA 38 Cb 0.00 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.48 2ki8 s ALA 38 CO 0.00 -0.37 1.01 0.95 0.00 0.00 0.00 175.76 177.35 2ki8 s THR 39 N -2.69 2.28 0.19 0.00 -4.23 -1.26 -4.71 115.64 105.23 2ki8 s THR 39 Ca -0.04 -0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.06 2ki8 s THR 39 Cb -0.01 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2ki8 s THR 39 CO -0.05 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.42 2ki8 h VAL 40 N -0.59 0.98 -0.05 2.29 2.07 -1.98 -1.60 116.25 117.37 2ki8 h VAL 40 Ca -0.44 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2ki8 h VAL 40 Cb 1.31 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ki8 h VAL 40 CO 0.58 0.11 0.08 -0.08 0.02 0.00 0.00 177.57 178.28 2ki8 h GLU 41 N 0.61 0.00 0.00 1.57 4.81 -1.99 -0.50 114.58 119.09 2ki8 h GLU 41 Ca 0.26 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2ki8 h GLU 41 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2ki8 h GLU 41 CO -0.16 0.00 -0.66 0.93 -0.73 0.00 0.00 179.01 178.39 2ki8 h GLU 42 N 0.00 0.00 -0.84 1.92 4.39 -1.67 -3.37 114.58 115.01 2ki8 h GLU 42 Ca 0.02 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.25 2ki8 h GLU 42 Cb 0.18 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.42 2ki8 h GLU 42 CO -0.00 0.59 -0.90 1.63 -1.16 0.00 0.00 179.01 179.17 2ki8 n LYS 43 N -3.23 3.00 -2.09 2.33 5.02 -0.23 -4.99 118.16 117.97 2ki8 n LYS 43 Ca 0.01 -4.02 -0.29 0.00 -2.02 0.00 0.00 58.31 51.99 2ki8 n LYS 43 Cb 0.78 -2.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 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 -3.60 3.07 0.30 -0.35 1.43 -1.01 -4.37 118.68 114.15 2ki8 s LEU 44 Ca 0.44 -1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 2ki8 s LEU 44 Cb 0.39 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2ki8 s LEU 44 CO -0.02 -3.03 0.53 0.28 0.23 0.00 0.00 176.35 174.34 2ki8 s THR 45 N 10.83 0.00 0.42 5.49 -1.32 -1.26 -5.04 115.64 124.76 2ki8 s THR 45 Ca 0.68 -1.41 0.14 0.00 -1.21 0.00 0.00 61.69 59.89 2ki8 s THR 45 Cb -0.00 -2.46 0.34 0.00 -1.51 0.00 0.00 72.50 68.86 2ki8 s THR 45 CO 0.13 0.00 1.94 -0.08 -2.21 0.00 0.00 174.62 174.41 2ki8 h GLU 46 N 2.16 0.44 -0.78 7.08 4.81 -2.00 -0.97 114.58 125.33 2ki8 h GLU 46 Ca -0.28 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2ki8 h GLU 46 Cb 1.25 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 2ki8 h GLU 46 CO 0.37 0.29 0.39 1.49 -0.73 0.00 0.00 179.01 180.83 2ki8 h GLU 47 N 0.46 0.60 -0.23 1.92 4.81 -1.96 -0.17 114.58 120.00 2ki8 h GLU 47 Ca 0.33 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 2ki8 h GLU 47 Cb 0.67 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ki8 h GLU 47 CO -0.11 0.40 -0.48 -0.92 -0.73 0.00 0.00 179.01 177.17 2ki8 h TYR 48 N 0.62 0.76 0.39 0.92 5.03 -1.38 -3.09 116.97 120.22 2ki8 h TYR 48 Ca 0.40 -0.25 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 2ki8 h TYR 48 Cb 0.50 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.63 2ki8 h TYR 48 CO -0.10 0.98 -0.19 0.35 -1.32 0.00 0.00 178.16 177.88 2ki8 h PHE 49 N 0.50 -0.49 0.00 -3.82 3.57 -1.03 -2.42 116.94 113.25 2ki8 h PHE 49 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ki8 h PHE 49 Cb 1.02 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2ki8 h PHE 49 CO 0.05 -0.30 0.19 -0.91 -2.23 0.00 0.00 178.31 175.10 2ki8 h ASN 50 N -0.65 0.00 0.00 0.41 2.35 -1.19 -2.27 115.58 114.24 2ki8 h ASN 50 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2ki8 h ASN 50 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2ki8 h ASN 50 CO 0.09 0.00 -0.48 0.00 -1.65 0.00 0.00 177.43 175.38 2ki8 h ALA 51 N 1.57 0.02 -0.55 -0.83 0.00 -1.50 -3.41 119.26 114.56 2ki8 h ALA 51 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ki8 h ALA 51 Cb 0.38 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ki8 h ALA 51 CO 0.00 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.02 2ki8 n VAL 52 N -4.63 1.63 -0.49 0.00 0.24 -0.92 -4.18 118.33 109.99 2ki8 n VAL 52 Ca -0.08 -1.02 0.10 0.00 -2.04 0.00 0.00 64.34 61.30 2ki8 n VAL 52 Cb 0.26 0.03 0.34 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.90 4.49 -4.16 -1.34 3.02 -0.87 -4.65 115.26 112.66 2ki8 n ASN 53 Ca 0.22 -2.34 -0.10 0.00 -0.03 0.00 0.00 54.58 52.33 2ki8 n ASN 53 Cb 0.81 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2ki8 s TYR 54 N -1.67 0.90 0.04 3.10 -0.85 -1.26 -0.56 117.35 117.05 2ki8 s TYR 54 Ca 0.50 -1.17 0.04 0.00 -0.52 0.00 0.00 57.07 55.91 2ki8 s TYR 54 Cb 0.31 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 2ki8 s TYR 54 CO 0.26 -0.44 -0.11 0.00 -1.52 0.00 0.00 175.55 173.74 2ki8 s ALA 55 N -3.95 0.90 -0.41 9.51 0.00 0.15 -4.32 121.76 123.63 2ki8 s ALA 55 Ca 0.22 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 2ki8 s ALA 55 Cb 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2ki8 s ALA 55 CO 0.01 0.13 0.39 -1.21 0.00 0.00 0.00 175.76 175.09 2ki8 s GLU 56 N -1.16 3.12 -0.04 0.00 2.02 0.20 -0.70 118.70 122.14 2ki8 s GLU 56 Ca -0.02 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2ki8 s GLU 56 Cb -0.08 -3.95 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 2ki8 s GLU 56 CO 0.01 -0.79 -0.06 0.42 0.02 0.00 0.00 175.26 174.86 2ki8 s ILE 57 N 2.01 3.73 0.35 -1.63 1.09 -0.15 -2.29 121.20 124.31 2ki8 s ILE 57 Ca 0.10 -0.60 -0.28 0.00 -1.10 0.00 0.00 60.65 58.77 2ki8 s ILE 57 Cb -0.17 -2.57 -0.11 0.00 -1.06 0.00 0.00 42.46 38.55 2ki8 s ILE 57 CO 0.12 0.50 1.43 0.21 -0.10 0.00 0.00 174.94 177.11 2ki8 s ASN 58 N -1.10 6.49 0.49 3.58 3.84 -1.26 -0.73 114.94 126.26 2ki8 s ASN 58 Ca 0.15 2.92 0.21 0.00 0.21 0.00 0.00 52.86 56.35 2ki8 s ASN 58 Cb -0.11 -2.66 1.25 0.00 -0.55 0.00 0.00 41.25 39.18 2ki8 s ASN 58 CO 0.04 -0.76 1.96 -0.08 -2.79 0.00 0.00 177.10 175.47 2ki8 h GLU 59 N 3.30 0.18 0.53 0.43 4.81 -1.88 0.98 114.58 122.93 2ki8 h GLU 59 Ca -0.50 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2ki8 h GLU 59 Cb 1.23 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.58 2ki8 h GLU 59 CO 0.66 0.12 -0.26 0.93 -0.73 0.00 0.00 179.01 179.73 2ki8 h GLU 60 N 0.18 -0.69 -0.35 1.92 4.39 -1.95 0.20 114.58 118.28 2ki8 h GLU 60 Ca 0.31 0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 2ki8 h GLU 60 Cb 0.97 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 2ki8 h GLU 60 CO -0.05 -0.44 -0.14 -0.44 -1.16 0.00 0.00 179.01 176.78 2ki8 h ASP 61 N -0.76 0.60 -0.46 1.42 3.32 -1.79 -1.89 116.42 116.87 2ki8 h ASP 61 Ca -0.07 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.89 2ki8 h ASP 61 Cb 0.57 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 2ki8 h ASP 61 CO 0.12 0.77 0.03 -0.25 -1.72 0.00 0.00 179.24 178.19 2ki8 h TRP 62 N 0.56 0.03 -0.19 4.55 2.91 -0.62 -0.98 115.95 122.21 2ki8 h TRP 62 Ca 0.10 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.02 2ki8 h TRP 62 Cb 0.56 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 2ki8 h TRP 62 CO 0.02 -0.07 -0.42 -0.91 -1.03 0.00 0.00 178.44 176.03 2ki8 h ASN 63 N 0.15 0.49 0.17 2.65 2.35 -0.32 0.19 115.58 121.26 2ki8 h ASN 63 Ca 0.23 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2ki8 h ASN 63 Cb 0.32 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2ki8 h ASN 63 CO -0.35 0.86 -0.10 0.00 -1.65 0.00 0.00 177.43 176.18 2ki8 h ALA 64 N 1.17 -0.26 0.00 -0.83 0.00 -0.72 -2.25 119.26 116.38 2ki8 h ALA 64 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ki8 h ALA 64 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ki8 h ALA 64 CO 0.08 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 179.96 2ki8 n LEU 65 N -5.22 0.00 -3.50 0.00 4.77 -0.43 -4.91 117.00 107.71 2ki8 n LEU 65 Ca -0.08 0.23 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 2ki8 n LEU 65 Cb 0.14 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2ki8 n LEU 65 CO 0.33 -0.05 0.08 0.61 -1.33 0.00 0.00 177.39 177.03 2ki8 n GLY 66 N 0.73 -0.35 3.91 -0.72 0.00 -0.62 -4.85 105.19 103.29 2ki8 n GLY 66 Ca 0.13 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.48 3.51 0.05 0.99 1.43 -0.04 -5.02 118.68 113.12 2ki8 s LEU 67 Ca 0.03 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2ki8 s LEU 67 Cb -0.02 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2ki8 s LEU 67 CO 0.75 -0.71 -0.07 -1.58 0.23 0.00 0.00 176.35 174.96 2ki8 s GLN 68 N -4.82 0.56 -0.32 1.70 0.74 -1.26 -4.88 119.66 111.38 2ki8 s GLN 68 Ca 0.49 -0.85 -0.28 0.00 0.05 0.00 0.00 55.36 54.77 2ki8 s GLN 68 Cb -0.10 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 2ki8 s GLN 68 CO 0.45 0.02 2.05 -1.21 -0.55 0.00 0.00 175.29 176.06 2ki8 s GLU 69 N -2.01 3.06 0.00 1.67 8.01 -1.26 -0.71 118.70 127.46 2ki8 s GLU 69 Ca -0.07 1.64 0.00 0.00 0.01 0.00 0.00 54.97 56.55 2ki8 s GLU 69 Cb -0.07 -4.33 0.00 0.00 -4.31 0.00 0.00 34.13 25.42 2ki8 s GLU 69 CO -0.01 -2.18 0.00 0.41 0.01 0.00 0.00 175.26 173.49 2ki8 n GLY 70 N 5.65 1.27 3.74 -1.39 0.00 -0.88 -5.03 105.19 108.56 2ki8 n GLY 70 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ki8 s ASP 71 N -1.72 4.73 -0.37 1.61 1.11 0.12 -4.64 116.67 117.50 2ki8 s ASP 71 Ca 0.00 2.38 -0.20 0.00 0.18 0.00 0.00 52.55 54.91 2ki8 s ASP 71 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.40 2ki8 s ASP 71 CO 0.00 -1.91 0.64 -0.13 1.18 0.00 0.00 175.17 174.95 2ki8 s ARG 72 N -3.61 3.60 -0.08 8.23 0.52 -1.26 -0.26 118.95 126.09 2ki8 s ARG 72 Ca 0.76 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.96 2ki8 s ARG 72 Cb -0.30 -3.84 -0.02 0.00 0.52 0.00 0.00 34.95 31.31 2ki8 s ARG 72 CO 0.39 -0.79 -0.14 0.14 0.02 0.00 0.00 175.30 174.92 2ki8 s VAL 73 N 2.74 3.03 0.05 3.52 -7.23 0.43 -1.64 120.40 121.30 2ki8 s VAL 73 Ca 0.24 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2ki8 s VAL 73 Cb -0.14 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2ki8 s VAL 73 CO 0.16 0.56 0.26 -0.75 -0.31 0.00 0.00 175.10 175.02 2ki8 s LYS 74 N -0.25 3.52 -0.08 4.82 2.20 0.86 -0.61 119.74 130.20 2ki8 s LYS 74 Ca 0.01 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 2ki8 s LYS 74 Cb -0.13 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2ki8 s LYS 74 CO 0.03 0.60 -0.21 0.08 -0.36 0.00 0.00 175.35 175.48 2ki8 s VAL 75 N -1.45 1.82 -0.11 4.02 1.01 -0.06 -1.23 120.40 124.40 2ki8 s VAL 75 Ca 0.33 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2ki8 s VAL 75 Cb -0.13 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.69 2ki8 s VAL 75 CO 0.22 0.51 -0.15 -0.54 0.00 0.00 0.00 175.10 175.14 2ki8 s LYS 76 N 0.25 2.22 0.06 2.72 1.02 -0.18 -2.03 119.74 123.81 2ki8 s LYS 76 Ca -0.13 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.31 2ki8 s LYS 76 Cb -0.16 -1.89 -0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2ki8 s LYS 76 CO 0.06 -0.07 0.05 0.25 -0.92 0.00 0.00 175.35 174.72 2ki8 n THR 77 N 4.21 0.00 0.36 2.17 -2.24 -0.21 -0.65 114.28 117.92 2ki8 n THR 77 Ca -0.19 -0.45 0.14 0.00 -2.27 0.00 0.00 64.05 61.28 2ki8 n THR 77 Cb 0.51 0.21 0.57 0.00 -2.10 0.00 0.00 70.33 69.52 2ki8 n THR 77 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2ki8 h GLU 78 N 0.00 0.00 0.00 -0.78 4.11 -1.87 -2.98 114.58 113.07 2ki8 h GLU 78 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 2ki8 h GLU 78 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2ki8 h GLU 78 CO 0.07 0.00 -0.95 0.74 0.07 0.00 0.00 179.01 178.94 2ki8 h PHE 79 N 0.00 0.00 0.00 2.06 0.04 -1.82 -3.51 116.94 113.72 2ki8 h PHE 79 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ki8 h PHE 79 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2ki8 h PHE 79 CO 0.00 0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 2ki8 n GLY 80 N 1.21 0.31 3.11 -1.45 0.00 -0.78 -4.71 105.19 102.87 2ki8 n GLY 80 Ca -0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.00 0.48 -0.03 1.61 -1.05 -1.21 -1.05 118.70 115.45 2ki8 s GLU 81 Ca 0.00 -0.38 -0.12 0.00 -0.15 0.00 0.00 54.97 54.31 2ki8 s GLU 81 Cb 0.00 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2ki8 s GLU 81 CO 0.00 -0.11 0.27 0.54 0.95 0.00 0.00 175.26 176.90 2ki8 s VAL 82 N -1.35 0.05 -0.25 1.83 0.11 -0.86 -4.92 120.40 115.02 2ki8 s VAL 82 Ca -0.14 -0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 58.41 2ki8 s VAL 82 Cb -0.07 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2ki8 s VAL 82 CO 0.02 -0.25 0.01 -0.69 -3.33 0.00 0.00 175.10 170.86 2ki8 s VAL 83 N -1.10 3.69 0.42 2.04 1.01 -1.26 -0.88 120.40 124.33 2ki8 s VAL 83 Ca -0.12 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2ki8 s VAL 83 Cb -0.05 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2ki8 s VAL 83 CO 0.03 0.31 0.12 0.68 0.00 0.00 0.00 175.10 176.24 2ki8 s VAL 84 N 1.51 0.65 0.30 2.92 -7.23 0.22 -2.36 120.40 116.41 2ki8 s VAL 84 Ca 0.05 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.01 2ki8 s VAL 84 Cb -0.15 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 2ki8 s VAL 84 CO -0.00 0.00 0.83 -0.36 -0.31 0.00 0.00 175.10 175.25 2ki8 s PHE 85 N -3.16 3.58 -0.20 2.82 0.08 0.28 -0.43 117.98 120.94 2ki8 s PHE 85 Ca 0.21 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.66 2ki8 s PHE 85 Cb 0.02 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 2ki8 s PHE 85 CO 0.13 0.20 0.24 0.00 -0.10 0.00 0.00 175.22 175.69 2ki8 s ALA 86 N -1.71 3.61 0.01 5.36 0.00 0.64 -0.67 121.76 129.00 2ki8 s ALA 86 Ca 0.50 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2ki8 s ALA 86 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 2ki8 s ALA 86 CO 0.20 -0.08 -0.14 0.15 0.00 0.00 0.00 175.76 175.89 2ki8 s LYS 87 N 0.83 1.07 -0.13 0.00 1.02 0.12 -2.08 119.74 120.58 2ki8 s LYS 87 Ca 0.12 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 2ki8 s LYS 87 Cb -0.13 -1.06 -0.01 0.00 -0.52 0.00 0.00 37.83 36.11 2ki8 s LYS 87 CO 0.04 0.28 1.12 0.21 -0.92 0.00 0.00 175.35 176.08 2ki8 s LYS 88 N -0.66 4.33 0.29 1.68 2.20 -1.26 -0.97 119.74 125.34 2ki8 s LYS 88 Ca 0.04 1.52 0.06 0.00 -0.36 0.00 0.00 55.97 57.23 2ki8 s LYS 88 Cb -0.06 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2ki8 s LYS 88 CO 0.00 -0.50 -0.03 0.20 -0.36 0.00 0.00 175.35 174.66 2ki8 s GLY 89 N 1.40 1.89 -0.04 5.54 0.00 0.10 -4.80 107.32 111.41 2ki8 s GLY 89 Ca 0.51 -1.95 0.05 0.00 0.00 0.00 0.00 44.72 43.34 2ki8 s GLY 89 CO 0.16 -1.84 1.01 1.22 0.00 0.00 0.00 173.10 173.65 2ki8 n ASP 90 N -0.61 1.79 -4.74 1.64 8.00 -1.26 -3.99 116.55 117.38 2ki8 n ASP 90 Ca -0.05 -2.14 -0.34 0.00 0.71 0.00 0.00 54.79 52.98 2ki8 n ASP 90 Cb 0.64 -0.35 0.08 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.61 2.72 0.59 2.53 -7.23 -1.26 -5.00 120.40 111.14 2ki8 s VAL 91 Ca 0.15 0.34 -0.19 0.00 -1.81 0.00 0.00 61.98 60.47 2ki8 s VAL 91 Cb 0.10 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2ki8 s VAL 91 CO 0.07 -0.20 1.24 -2.16 -0.31 0.00 0.00 175.10 173.74 2ki8 s PRO 92 N -4.03 2.93 0.46 4.82 0.04 -1.26 -4.39 135.00 133.57 2ki8 s PRO 92 Ca 0.71 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 2ki8 s PRO 92 Cb -0.25 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2ki8 s PRO 92 CO 0.44 -1.26 1.32 0.21 0.04 0.00 0.00 177.00 177.76 2ki8 s LYS 93 N -3.28 3.67 -0.94 4.56 2.20 -1.26 -2.23 119.74 122.47 2ki8 s LYS 93 Ca 0.78 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 2ki8 s LYS 93 Cb -0.33 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2ki8 s LYS 93 CO 0.36 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 2ki8 n GLY 94 N 0.63 0.86 3.39 5.54 0.00 -1.26 -5.02 105.19 109.34 2ki8 n GLY 94 Ca 0.06 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.13 0.55 0.05 1.61 0.00 -0.95 -1.87 119.30 115.57 2ki8 s MET 95 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 55.69 56.50 2ki8 s MET 95 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 34.83 35.00 2ki8 s MET 95 CO 0.00 -0.10 -0.10 0.96 0.00 0.00 0.00 175.02 175.78 2ki8 s ILE 96 N 0.69 0.72 -0.17 10.11 -4.36 -0.09 -4.40 121.20 123.69 2ki8 s ILE 96 Ca -0.03 -1.15 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 2ki8 s ILE 96 Cb -0.05 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.87 2ki8 s ILE 96 CO -0.05 -0.34 0.01 0.12 0.24 0.00 0.00 174.94 174.93 2ki8 s PHE 97 N -1.36 3.13 -0.07 1.37 2.19 -0.97 -1.58 117.98 120.69 2ki8 s PHE 97 Ca -0.07 -0.14 0.04 0.00 0.33 0.00 0.00 56.93 57.08 2ki8 s PHE 97 Cb -0.10 -2.03 0.00 0.00 -1.31 0.00 0.00 43.02 39.58 2ki8 s PHE 97 CO 0.01 0.03 -0.19 0.42 1.83 0.00 0.00 175.22 177.32 2ki8 s ILE 98 N 0.45 1.61 0.16 3.12 1.01 -0.21 -0.63 121.20 126.70 2ki8 s ILE 98 Ca -0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 60.65 59.54 2ki8 s ILE 98 Cb -0.13 -1.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.81 2ki8 s ILE 98 CO 0.02 0.46 1.70 -2.65 0.00 0.00 0.00 174.94 174.47 2ki8 n PRO 99 N 3.42 2.51 -1.58 2.79 -0.02 -1.26 -2.23 135.00 138.63 2ki8 n PRO 99 Ca -0.20 0.91 -0.47 0.00 -2.02 0.00 0.00 63.50 61.72 2ki8 n PRO 99 Cb 0.52 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.23 1.79 -1.15 -0.52 1.56 -0.72 -4.57 117.12 117.73 2ki8 n MET 100 Ca 0.17 0.56 0.00 0.00 -0.27 0.00 0.00 57.70 58.16 2ki8 n MET 100 Cb 0.33 -2.82 0.00 0.00 2.15 0.00 0.00 33.22 32.88 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 5.58 1.74 0.23 -5.12 0.00 -1.26 -4.57 105.19 101.78 2ki8 n GLY 101 Ca 0.31 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.23 1.61 0.13 -1.91 0.17 132.00 132.23 2ki8 h PRO 102 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2ki8 h PRO 102 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ki8 h PRO 102 CO 0.00 0.19 -0.11 1.88 -0.23 0.00 0.00 178.00 179.73 2ki8 h TYR 103 N 0.00 -0.28 -0.82 1.56 -1.99 -1.92 -2.98 116.97 110.53 2ki8 h TYR 103 Ca -0.00 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2ki8 h TYR 103 Cb 0.41 0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.19 2ki8 h TYR 103 CO 0.00 0.08 0.55 0.00 -0.00 0.00 0.00 178.16 178.79 2ki8 h ALA 104 N -0.10 1.43 -0.19 3.88 0.00 -1.74 -1.93 119.26 120.61 2ki8 h ALA 104 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ki8 h ALA 104 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ki8 h ALA 104 CO 0.05 0.52 0.32 -0.97 0.00 0.00 0.00 179.25 179.17 2ki8 h ASN 105 N 1.10 0.00 1.15 0.00 -1.24 -0.59 0.56 115.58 116.56 2ki8 h ASN 105 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2ki8 h ASN 105 Cb -0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2ki8 h ASN 105 CO -0.07 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.30 2ki8 n MET 106 N -3.42 0.14 0.00 6.67 2.81 -0.72 -4.18 117.12 118.42 2ki8 n MET 106 Ca 0.02 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2ki8 n MET 106 Cb 0.43 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2ki8 n MET 106 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2ki8 n VAL 107 N -1.92 0.00 -3.49 2.03 0.24 0.32 -1.87 118.33 113.65 2ki8 n VAL 107 Ca 0.06 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 2ki8 n VAL 107 Cb 0.36 0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 33.35 2ki8 n VAL 107 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ki8 s ILE 108 N -0.18 2.49 -0.43 1.34 -5.25 0.17 -4.62 121.20 114.71 2ki8 s ILE 108 Ca 0.00 -1.29 -0.19 0.00 -0.99 0.00 0.00 60.65 58.18 2ki8 s ILE 108 Cb 0.00 -2.78 0.02 0.00 2.95 0.00 0.00 42.46 42.65 2ki8 s ILE 108 CO 0.00 0.00 0.53 -0.62 -1.79 0.00 0.00 174.94 173.06 2ki8 s ASP 109 N -4.24 6.25 0.00 4.36 2.15 -1.26 -4.80 116.67 119.13 2ki8 s ASP 109 Ca 0.48 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 52.97 2ki8 s ASP 109 Cb -0.04 -2.27 0.29 0.00 -0.30 0.00 0.00 42.92 40.61 2ki8 s ASP 109 CO 0.29 -0.68 1.20 -0.81 -0.17 0.00 0.00 175.17 175.00 2ki8 n PRO 110 N 5.89 1.16 0.00 4.34 -0.04 -1.26 -3.42 135.00 141.68 2ki8 n PRO 110 Ca -0.05 -0.25 0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2ki8 n PRO 110 Cb 0.47 -1.12 0.74 0.00 -0.04 0.00 0.00 33.50 33.56 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ki8 n SER 111 N -0.35 0.00 -4.78 3.54 7.64 -1.26 -4.87 113.62 113.53 2ki8 n SER 111 Ca 0.05 -0.07 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 2ki8 n SER 111 Cb 0.07 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 2ki8 n SER 111 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ki8 s THR 112 N -2.62 4.28 -0.09 0.44 -4.23 -1.22 -5.02 115.64 107.18 2ki8 s THR 112 Ca 0.27 1.76 -0.07 0.00 -1.18 0.00 0.00 61.69 62.47 2ki8 s THR 112 Cb 0.20 -4.09 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 2ki8 s THR 112 CO 0.46 0.32 -0.15 0.47 -0.54 0.00 0.00 174.62 175.19 2ki8 n ASP 113 N 1.03 1.10 0.00 3.99 9.92 -1.26 -5.01 116.55 126.33 2ki8 n ASP 113 Ca -0.01 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 2ki8 n ASP 113 Cb 0.49 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ki8 n GLY 114 N 1.60 1.75 5.00 0.44 0.00 -1.26 -4.86 105.19 107.86 2ki8 n GLY 114 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2ki8 n GLY 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ki8 n THR 115 N 0.00 0.00 -3.33 2.61 -1.04 -1.26 -4.84 114.28 106.42 2ki8 n THR 115 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2ki8 n THR 115 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2ki8 n THR 115 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ki8 s GLY 116 N 0.00 2.42 0.14 3.41 0.00 -1.26 -4.96 107.32 107.06 2ki8 s GLY 116 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2ki8 s GLY 116 CO 0.00 0.69 0.00 1.03 0.00 0.00 0.00 173.10 174.82 2ki8 n MET 117 N 3.38 -0.77 -2.68 2.90 2.81 -1.26 -4.79 117.12 116.71 2ki8 n MET 117 Ca -0.08 0.63 -0.42 0.00 -1.81 0.00 0.00 57.70 56.02 2ki8 n MET 117 Cb 0.52 -0.87 -0.03 0.00 -0.71 0.00 0.00 33.22 32.13 2ki8 n MET 117 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2ki8 s PRO 118 N -3.50 3.32 -0.34 0.03 0.04 -1.26 -4.99 135.00 128.30 2ki8 s PRO 118 Ca 0.00 -0.82 -0.25 0.00 0.04 0.00 0.00 61.00 59.97 2ki8 s PRO 118 Cb 0.00 -4.58 0.01 0.00 0.04 0.00 0.00 34.50 29.97 2ki8 s PRO 118 CO 0.00 -2.03 0.88 -0.65 0.04 0.00 0.00 177.00 175.24 2ki8 s GLN 119 N 4.70 3.90 0.52 4.56 -1.52 -1.26 -5.05 119.66 125.51 2ki8 s GLN 119 Ca 0.34 0.62 -0.03 0.00 -1.95 0.00 0.00 55.36 54.34 2ki8 s GLN 119 Cb -0.08 -3.77 0.11 0.00 -0.22 0.00 0.00 33.01 29.05 2ki8 s GLN 119 CO 0.04 -0.83 0.71 1.19 -0.25 0.00 0.00 175.29 176.15 2ki8 n PHE 120 N 6.54 -3.31 -1.39 0.91 3.01 -1.26 -4.98 117.46 116.98 2ki8 n PHE 120 Ca 0.06 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.46 2ki8 n PHE 120 Cb 0.48 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 2ki8 n PHE 120 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ki8 n LYS 121 N -2.36 -3.90 -0.19 -1.08 4.01 -1.26 -5.11 118.16 108.27 2ki8 n LYS 121 Ca 0.11 2.83 0.00 0.00 -0.51 0.00 0.00 58.31 60.74 2ki8 n LYS 121 Cb 0.38 -3.13 0.00 0.00 -0.51 0.00 0.00 35.03 31.78 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ki8 n GLY 122 N 0.05 6.46 3.72 0.72 0.00 -1.26 -4.91 105.19 109.97 2ki8 n GLY 122 Ca 0.00 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.02 5.06 0.45 1.61 1.01 0.14 -4.75 120.40 123.90 2ki8 s VAL 123 Ca 0.00 1.39 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 2ki8 s VAL 123 Cb 0.00 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2ki8 s VAL 123 CO 0.00 0.26 1.16 -0.54 0.00 0.00 0.00 175.10 175.98 2ki8 s LYS 124 N 0.77 3.83 0.00 2.72 -0.14 -1.26 0.39 119.74 126.05 2ki8 s LYS 124 Ca 0.36 1.77 0.00 0.00 -1.36 0.00 0.00 55.97 56.75 2ki8 s LYS 124 Cb -0.17 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2ki8 s LYS 124 CO 0.17 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 2ki8 n GLY 125 N 0.47 1.54 3.16 -3.33 0.00 0.90 -4.63 105.19 103.30 2ki8 n GLY 125 Ca 0.07 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.71 0.69 0.02 2.61 -4.23 0.17 0.15 115.64 113.35 2ki8 s THR 126 Ca 0.00 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2ki8 s THR 126 Cb 0.00 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2ki8 s THR 126 CO 0.00 -0.80 -0.09 0.54 -0.54 0.00 0.00 174.62 173.73 2ki8 s VAL 127 N -3.30 0.72 -0.01 2.29 0.11 0.60 -1.01 120.40 119.80 2ki8 s VAL 127 Ca 0.09 -0.74 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 2ki8 s VAL 127 Cb 0.03 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2ki8 s VAL 127 CO -0.04 -0.04 0.41 -1.83 -3.33 0.00 0.00 175.10 170.27 2ki8 s GLU 128 N -0.87 0.80 -0.09 1.54 -1.05 -0.37 -1.47 118.70 117.20 2ki8 s GLU 128 Ca -0.01 -0.12 -0.26 0.00 -0.15 0.00 0.00 54.97 54.43 2ki8 s GLU 128 Cb -0.06 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2ki8 s GLU 128 CO 0.00 -0.24 0.85 0.21 0.95 0.00 0.00 175.26 177.03 2ki8 s LYS 129 N -1.48 4.42 0.17 -4.83 2.20 -1.26 -0.10 119.74 118.86 2ki8 s LYS 129 Ca -0.12 1.11 0.08 0.00 -0.36 0.00 0.00 55.97 56.69 2ki8 s LYS 129 Cb -0.03 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2ki8 s LYS 129 CO 0.05 -0.13 -0.17 -0.08 -0.36 0.00 0.00 175.35 174.66 2ki8 s THR 130 N 1.42 1.70 -1.49 3.43 -1.32 -0.65 -4.93 115.64 113.80 2ki8 s THR 130 Ca 0.43 -1.95 0.29 0.00 -1.21 0.00 0.00 61.69 59.25 2ki8 s THR 130 Cb -0.18 -1.83 0.47 0.00 -1.51 0.00 0.00 72.50 69.45 2ki8 s THR 130 CO 0.19 -0.40 1.95 -0.90 -2.21 0.00 0.00 174.62 173.24 2ki8 n ASP 131 N 0.19 0.22 -4.77 8.08 5.75 -1.26 -4.68 116.55 120.07 2ki8 n ASP 131 Ca -0.12 -0.31 -0.32 0.00 -0.01 0.00 0.00 54.79 54.03 2ki8 n ASP 131 Cb 0.58 -0.18 0.07 0.00 -1.03 0.00 0.00 41.12 40.55 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ki8 s GLU 132 N -2.56 2.51 0.42 0.11 2.02 -1.26 -5.05 118.70 114.89 2ki8 s GLU 132 Ca 0.28 1.31 -0.06 0.00 0.02 0.00 0.00 54.97 56.51 2ki8 s GLU 132 Cb 0.20 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.46 2ki8 s GLU 132 CO 0.48 -1.46 0.73 -1.59 0.02 0.00 0.00 175.26 173.43 2ki8 s LYS 133 N -4.44 3.63 0.28 1.61 -2.85 -1.26 -4.90 119.74 111.80 2ki8 s LYS 133 Ca 0.65 0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 55.53 2ki8 s LYS 133 Cb -0.19 -2.45 -0.10 0.00 -2.06 0.00 0.00 37.83 33.03 2ki8 s LYS 133 CO 0.48 -0.06 1.26 0.08 0.10 0.00 0.00 175.35 177.22 2ki8 s VAL 134 N -2.49 3.03 0.17 1.79 1.01 -1.26 -4.77 120.40 117.88 2ki8 s VAL 134 Ca 0.47 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 2ki8 s VAL 134 Cb -0.10 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2ki8 s VAL 134 CO 0.38 0.21 1.27 -0.76 0.00 0.00 0.00 175.10 176.20 2ki8 s LEU 135 N -1.20 4.42 0.36 3.92 1.43 -0.99 -5.03 118.68 121.59 2ki8 s LEU 135 Ca 0.50 2.31 -0.25 0.00 -1.03 0.00 0.00 54.13 55.67 2ki8 s LEU 135 Cb -0.37 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 2ki8 s LEU 135 CO 0.46 -0.49 0.98 -0.55 0.23 0.00 0.00 176.35 176.98 2ki8 s SER 136 N 0.42 7.09 0.26 2.29 0.15 -1.26 -4.89 113.70 117.76 2ki8 s SER 136 Ca 0.56 1.88 -0.03 0.00 0.70 0.00 0.00 55.95 59.07 2ki8 s SER 136 Cb -0.35 -2.58 0.56 0.00 -1.71 0.00 0.00 66.02 61.95 2ki8 s SER 136 CO 0.36 -0.25 1.65 0.58 1.20 0.00 0.00 173.24 176.78 2ki8 h VAL 137 N 2.37 0.35 -0.26 4.45 2.07 -1.98 0.91 116.25 124.16 2ki8 h VAL 137 Ca -0.48 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.82 2ki8 h VAL 137 Cb 1.20 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2ki8 h VAL 137 CO 0.63 0.03 -0.48 0.50 0.02 0.00 0.00 177.57 178.28 2ki8 h LYS 138 N 0.18 0.78 -0.83 1.57 3.64 -1.99 -2.30 116.57 117.61 2ki8 h LYS 138 Ca 0.48 -0.49 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2ki8 h LYS 138 Cb 0.90 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 2ki8 h LYS 138 CO -0.64 1.12 0.54 1.49 -2.27 0.00 0.00 179.45 179.69 2ki8 h GLU 139 N 0.53 0.74 -0.38 1.90 4.57 -1.35 0.93 114.58 121.53 2ki8 h GLU 139 Ca 0.01 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.01 2ki8 h GLU 139 Cb 1.08 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2ki8 h GLU 139 CO 0.11 0.49 -0.31 1.25 -1.18 0.00 0.00 179.01 179.37 2ki8 h LEU 140 N 0.77 0.86 -0.08 1.64 6.46 -0.79 -0.72 115.31 123.45 2ki8 h LEU 140 Ca 0.39 -0.36 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2ki8 h LEU 140 Cb 0.47 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2ki8 h LEU 140 CO -0.16 1.10 0.02 -0.07 -0.62 0.00 0.00 178.44 178.72 2ki8 h LEU 141 N 0.70 0.02 -1.47 2.25 3.38 -0.31 -1.25 115.31 118.63 2ki8 h LEU 141 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2ki8 h LEU 141 Cb 0.86 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2ki8 h LEU 141 CO 0.08 0.03 -0.26 -0.33 0.09 0.00 0.00 178.44 178.04 2ki8 h GLU 142 N 0.06 0.00 0.08 1.13 5.08 -1.05 -0.40 114.58 119.49 2ki8 h GLU 142 Ca 0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ki8 h GLU 142 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ki8 h GLU 142 CO -0.04 0.27 -0.04 0.00 -1.00 0.00 0.00 179.01 178.20 2ki8 h ALA 143 N 1.73 -0.11 0.00 3.43 0.00 -0.63 -3.25 119.26 120.44 2ki8 h ALA 143 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2ki8 h ALA 143 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ki8 h ALA 143 CO 0.03 -0.35 -0.19 -0.84 0.00 0.00 0.00 179.25 177.90 2ki8 h ILE 144 N -0.52 0.38 0.00 0.00 -0.00 -1.17 -3.48 117.51 112.72 2ki8 h ILE 144 Ca -0.01 -1.24 0.00 0.00 -0.00 0.00 0.00 64.86 63.61 2ki8 h ILE 144 Cb 0.44 1.94 0.00 0.00 -0.00 0.00 0.00 36.82 39.20 2ki8 h ILE 144 CO 0.02 0.19 0.00 0.61 -0.00 0.00 0.00 178.15 178.97 2ki8 n GLY 145 N 0.64 2.60 0.00 0.16 0.00 -0.17 -5.11 105.19 103.32 2ki8 n GLY 145 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76