#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 -1.27 3.59 3.17 0.00 -1.26 -5.12 105.19 104.30 2ki8 n GLY 2 Ca 0.00 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.48 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 5.35 -0.11 1.61 1.04 -1.26 -4.97 113.70 115.36 2ki8 s SER 3 Ca 0.00 1.48 0.01 0.00 0.48 0.00 0.00 55.95 57.92 2ki8 s SER 3 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 2ki8 s SER 3 CO 0.00 -2.11 -0.13 -0.44 0.98 0.00 0.00 173.24 171.54 2ki8 s SER 4 N 8.51 4.06 0.08 7.02 0.01 -1.26 -5.12 113.70 127.00 2ki8 s SER 4 Ca 0.93 -0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.77 2ki8 s SER 4 Cb -0.26 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.55 2ki8 s SER 4 CO 0.32 0.21 0.32 -1.00 0.41 0.00 0.00 173.24 173.49 2ki8 s HIS 5 N 0.09 -0.09 -0.06 2.43 4.02 -1.26 -5.17 115.29 115.25 2ki8 s HIS 5 Ca -0.05 -0.17 -0.02 0.00 1.02 0.00 0.00 55.06 55.83 2ki8 s HIS 5 Cb -0.15 0.12 0.04 0.00 -1.02 0.00 0.00 32.58 31.57 2ki8 s HIS 5 CO 0.04 -0.58 0.11 -1.01 1.02 0.00 0.00 174.74 174.32 2ki8 s HIS 6 N -3.26 -0.09 -0.01 1.40 0.09 -1.26 -5.15 115.29 107.00 2ki8 s HIS 6 Ca -0.00 0.41 -0.00 0.00 -0.00 0.00 0.00 55.06 55.46 2ki8 s HIS 6 Cb 0.01 -0.23 0.02 0.00 -0.00 0.00 0.00 32.58 32.38 2ki8 s HIS 6 CO -0.08 -0.18 0.02 -3.38 -0.00 0.00 0.00 174.74 171.12 2ki8 s HIS 7 N 1.63 0.01 0.67 1.40 0.00 -1.26 -5.17 115.29 112.58 2ki8 s HIS 7 Ca -0.03 0.10 -0.02 0.00 -3.00 0.00 0.00 55.06 52.11 2ki8 s HIS 7 Cb -0.12 -0.15 0.09 0.00 -4.00 0.00 0.00 32.58 28.39 2ki8 s HIS 7 CO -0.05 -0.06 0.93 -3.38 -1.00 0.00 0.00 174.74 171.18 2ki8 s HIS 8 N 0.70 2.24 -0.03 0.38 0.00 -1.26 -5.13 115.29 112.19 2ki8 s HIS 8 Ca -0.06 -0.05 -0.04 0.00 -3.00 0.00 0.00 55.06 51.91 2ki8 s HIS 8 Cb -0.08 -2.98 0.01 0.00 -4.00 0.00 0.00 32.58 25.52 2ki8 s HIS 8 CO -0.02 -1.41 0.11 -1.01 -1.00 0.00 0.00 174.74 171.42 2ki8 s HIS 9 N -3.05 -0.09 -0.19 0.38 4.02 -1.26 -5.13 115.29 109.97 2ki8 s HIS 9 Ca 0.62 0.21 -0.02 0.00 1.02 0.00 0.00 55.06 56.90 2ki8 s HIS 9 Cb -0.08 0.02 0.05 0.00 -1.02 0.00 0.00 32.58 31.56 2ki8 s HIS 9 CO 0.43 -0.10 -0.00 -1.01 1.02 0.00 0.00 174.74 175.07 2ki8 s HIS 10 N -0.22 1.42 0.00 1.40 0.09 -1.26 -5.10 115.29 111.63 2ki8 s HIS 10 Ca -0.03 -1.04 0.00 0.00 -0.00 0.00 0.00 55.06 53.99 2ki8 s HIS 10 Cb -0.02 -1.18 0.00 0.00 -0.00 0.00 0.00 32.58 31.38 2ki8 s HIS 10 CO 0.00 -0.63 0.76 0.43 -0.00 0.00 0.00 174.74 175.30 2ki8 n SER 11 N 4.94 0.00 -2.03 1.40 7.64 -1.26 -5.05 113.62 119.27 2ki8 n SER 11 Ca -0.10 0.83 -0.02 0.00 1.01 0.00 0.00 58.87 60.59 2ki8 n SER 11 Cb 0.47 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2ki8 n SER 11 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ki8 n SER 12 N -1.77 -3.46 -3.24 6.43 2.88 -1.26 -5.07 113.62 108.14 2ki8 n SER 12 Ca 0.00 0.98 -0.15 0.00 -1.33 0.00 0.00 58.87 58.37 2ki8 n SER 12 Cb 0.00 -3.64 -0.06 0.00 -0.75 0.00 0.00 64.21 59.76 2ki8 n SER 12 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ki8 s GLY 13 N -0.39 -0.08 0.10 0.46 0.00 -1.26 -5.14 107.32 101.00 2ki8 s GLY 13 Ca -0.10 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 2ki8 s GLY 13 CO 0.28 2.85 0.56 -1.60 0.00 0.00 0.00 173.10 175.18 2ki8 s ARG 14 N 1.03 4.09 0.20 2.90 3.52 -1.26 -5.08 118.95 124.35 2ki8 s ARG 14 Ca 0.23 0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 56.36 2ki8 s ARG 14 Cb -0.07 -3.10 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 2ki8 s ARG 14 CO -0.07 0.57 0.51 -1.83 -0.81 0.00 0.00 175.30 173.66 2ki8 s GLU 15 N -1.49 3.77 -0.29 5.12 -1.05 -1.26 -5.09 118.70 118.42 2ki8 s GLU 15 Ca 0.33 0.20 -0.06 0.00 -0.15 0.00 0.00 54.97 55.29 2ki8 s GLU 15 Cb -0.17 -2.72 0.02 0.00 -0.44 0.00 0.00 34.13 30.81 2ki8 s GLU 15 CO 0.19 0.37 0.06 0.54 0.95 0.00 0.00 175.26 177.36 2ki8 s ASN 16 N -2.31 5.01 0.32 0.83 4.22 -1.26 -5.10 114.94 116.64 2ki8 s ASN 16 Ca 0.45 -0.78 0.10 0.00 -2.14 0.00 0.00 52.86 50.48 2ki8 s ASN 16 Cb -0.12 -1.84 -0.06 0.00 1.28 0.00 0.00 41.25 40.51 2ki8 s ASN 16 CO 0.22 -0.19 -0.12 -0.76 -2.04 0.00 0.00 177.10 174.21 2ki8 s LEU 17 N 1.46 2.67 0.25 3.54 1.02 -1.26 -5.04 118.68 121.32 2ki8 s LEU 17 Ca 0.02 -1.16 0.02 0.00 0.02 0.00 0.00 54.13 53.03 2ki8 s LEU 17 Cb -0.17 -0.98 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 2ki8 s LEU 17 CO 0.01 -0.16 0.07 -0.31 0.02 0.00 0.00 176.35 175.98 2ki8 s TYR 18 N -2.63 1.55 -0.36 0.29 1.51 -1.26 -5.14 117.35 111.30 2ki8 s TYR 18 Ca 0.31 -1.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.14 2ki8 s TYR 18 Cb 0.01 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 2ki8 s TYR 18 CO 0.16 -0.26 0.21 -0.06 -1.11 0.00 0.00 175.55 174.48 2ki8 s PHE 19 N -3.67 3.23 0.36 2.71 0.40 -1.26 -5.01 117.98 114.74 2ki8 s PHE 19 Ca 0.35 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2ki8 s PHE 19 Cb 0.08 -2.44 0.00 0.00 0.51 0.00 0.00 43.02 41.16 2ki8 s PHE 19 CO 0.12 -0.59 0.00 1.04 0.70 0.00 0.00 175.22 176.50 2ki8 n GLN 20 N 5.02 -2.00 -3.70 0.44 3.00 -1.26 -5.09 117.38 113.79 2ki8 n GLN 20 Ca -0.12 1.61 -0.06 0.00 -0.01 0.00 0.00 57.00 58.42 2ki8 n GLN 20 Cb 0.47 -2.35 -0.02 0.00 0.00 0.00 0.00 30.24 28.34 2ki8 n GLN 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2ki8 s GLY 21 N -6.07 -0.29 -0.63 1.08 0.00 -1.26 -5.11 107.32 95.04 2ki8 s GLY 21 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 44.72 44.69 2ki8 s GLY 21 CO 0.00 0.06 1.37 -1.58 0.00 0.00 0.00 173.10 172.95 2ki8 s HIS 22 N -3.43 2.28 0.37 1.90 2.46 -1.26 -4.97 115.29 112.65 2ki8 s HIS 22 Ca 0.10 0.31 0.08 0.00 0.47 0.00 0.00 55.06 56.02 2ki8 s HIS 22 Cb -0.02 -4.47 -0.04 0.00 -0.13 0.00 0.00 32.58 27.92 2ki8 s HIS 22 CO -0.00 -1.97 0.19 0.00 -2.47 0.00 0.00 174.74 170.49 2ki8 s MET 23 N 5.63 2.37 -0.01 2.88 0.23 -1.26 -3.13 119.30 126.01 2ki8 s MET 23 Ca 0.46 -1.62 0.02 0.00 -1.03 0.00 0.00 55.69 53.52 2ki8 s MET 23 Cb -0.09 -2.16 -0.00 0.00 -1.53 0.00 0.00 34.83 31.04 2ki8 s MET 23 CO 0.21 0.00 -0.07 -0.51 -2.03 0.00 0.00 175.02 172.63 2ki8 s LEU 24 N -3.91 1.96 -0.37 0.18 1.43 0.39 -4.96 118.68 113.40 2ki8 s LEU 24 Ca 0.40 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.12 2ki8 s LEU 24 Cb -0.01 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.85 2ki8 s LEU 24 CO 0.24 0.08 0.90 -1.61 0.23 0.00 0.00 176.35 176.18 2ki8 s GLU 25 N -0.08 3.80 0.21 1.70 2.02 -1.26 -1.37 118.70 123.73 2ki8 s GLU 25 Ca 0.01 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.52 2ki8 s GLU 25 Cb -0.04 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 2ki8 s GLU 25 CO -0.00 -0.95 0.05 0.14 0.02 0.00 0.00 175.26 174.52 2ki8 s VAL 26 N 3.42 0.58 -0.18 2.63 -7.23 -0.13 -4.75 120.40 114.75 2ki8 s VAL 26 Ca 0.37 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2ki8 s VAL 26 Cb -0.12 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2ki8 s VAL 26 CO 0.19 -0.24 0.11 -0.70 -0.31 0.00 0.00 175.10 174.15 2ki8 s GLU 27 N -3.98 3.97 -0.35 4.82 2.12 -0.93 -1.44 118.70 122.91 2ki8 s GLU 27 Ca 0.31 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 2ki8 s GLU 27 Cb 0.07 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.18 2ki8 s GLU 27 CO 0.09 0.39 0.16 0.08 -0.54 0.00 0.00 175.26 175.43 2ki8 s VAL 28 N 0.09 4.26 0.08 3.70 1.01 0.96 -0.72 120.40 129.78 2ki8 s VAL 28 Ca 0.08 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2ki8 s VAL 28 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2ki8 s VAL 28 CO -0.00 -0.15 0.22 0.27 0.00 0.00 0.00 175.10 175.44 2ki8 s ILE 29 N 1.51 5.37 -0.24 2.22 -0.00 -0.99 0.15 121.20 129.21 2ki8 s ILE 29 Ca 0.01 -0.46 0.01 0.00 -0.00 0.00 0.00 60.65 60.22 2ki8 s ILE 29 Cb -0.19 -3.65 0.06 0.00 -0.00 0.00 0.00 42.46 38.68 2ki8 s ILE 29 CO 0.05 0.09 -0.06 -0.44 -0.00 0.00 0.00 174.94 174.57 2ki8 s SER 30 N -2.66 3.97 -0.21 4.36 0.01 -1.25 -0.71 113.70 117.21 2ki8 s SER 30 Ca 0.35 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 2ki8 s SER 30 Cb -0.13 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2ki8 s SER 30 CO 0.28 -0.23 0.42 -0.83 0.41 0.00 0.00 173.24 173.29 2ki8 s GLY 31 N 1.34 2.05 -0.65 3.44 0.00 -0.91 -4.56 107.32 108.03 2ki8 s GLY 31 Ca -0.07 -0.54 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 2ki8 s GLY 31 CO -0.06 0.89 1.54 -1.60 0.00 0.00 0.00 173.10 173.88 2ki8 s ARG 32 N 1.48 2.99 0.37 2.90 3.52 -1.26 -0.62 118.95 128.33 2ki8 s ARG 32 Ca 0.20 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 2ki8 s ARG 32 Cb -0.15 -4.25 -0.03 0.00 -1.56 0.00 0.00 34.95 28.96 2ki8 s ARG 32 CO 0.08 -2.34 0.14 -0.08 -0.81 0.00 0.00 175.30 172.30 2ki8 s THR 33 N 7.14 0.53 0.00 4.11 -1.32 -1.26 -4.94 115.64 119.90 2ki8 s THR 33 Ca 0.52 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 2ki8 s THR 33 Cb -0.11 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2ki8 s THR 33 CO 0.19 0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.49 2ki8 n LEU 34 N -0.78 0.00 -4.41 9.08 7.94 -1.26 -4.68 117.00 122.89 2ki8 n LEU 34 Ca -0.03 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.47 2ki8 n LEU 34 Cb 0.65 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 2ki8 n LEU 34 CO 0.36 0.00 -0.16 0.21 -1.11 0.00 0.00 177.39 176.69 2ki8 s ASN 35 N -0.27 5.76 -0.12 1.96 2.47 -1.26 -4.91 114.94 118.57 2ki8 s ASN 35 Ca 0.00 -0.84 0.11 0.00 0.42 0.00 0.00 52.86 52.55 2ki8 s ASN 35 Cb 0.00 -2.04 -0.15 0.00 -1.45 0.00 0.00 41.25 37.61 2ki8 s ASN 35 CO 0.00 -0.34 0.05 0.00 -3.72 0.00 0.00 177.10 173.09 2ki8 n GLN 36 N 5.02 1.98 -2.71 0.43 6.02 -1.26 -4.84 117.38 122.02 2ki8 n GLN 36 Ca -0.12 -0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.81 2ki8 n GLN 36 Cb 0.47 -1.31 0.09 0.00 1.02 0.00 0.00 30.24 30.51 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 2.24 1.66 3.39 1.08 0.00 -1.26 -5.13 105.19 107.17 2ki8 n GLY 37 Ca -0.19 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.28 1.30 0.55 4.61 0.00 -1.26 -5.18 121.76 120.51 2ki8 s ALA 38 Ca 0.20 -1.79 0.07 0.00 0.00 0.00 0.00 51.96 50.44 2ki8 s ALA 38 Cb 0.41 1.31 0.07 0.00 0.00 0.00 0.00 23.12 24.91 2ki8 s ALA 38 CO -0.06 -0.73 0.76 0.95 0.00 0.00 0.00 175.76 176.68 2ki8 s THR 39 N -3.23 2.42 0.20 0.00 -4.23 -1.26 -5.02 115.64 104.53 2ki8 s THR 39 Ca 0.36 -0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 2ki8 s THR 39 Cb 0.01 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.42 2ki8 s THR 39 CO 0.24 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.59 2ki8 h VAL 40 N 0.18 1.26 -0.49 2.29 2.07 -2.03 -3.03 116.25 116.50 2ki8 h VAL 40 Ca -0.35 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 2ki8 h VAL 40 Cb 1.28 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2ki8 h VAL 40 CO 0.43 0.40 0.01 -0.33 0.02 0.00 0.00 177.57 178.10 2ki8 h GLU 41 N 0.98 0.86 -0.75 1.57 3.07 -1.97 0.50 114.58 118.85 2ki8 h GLU 41 Ca 0.19 -0.27 0.18 0.00 -0.50 0.00 0.00 59.36 58.96 2ki8 h GLU 41 Cb 0.48 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 2ki8 h GLU 41 CO 0.02 0.89 0.51 0.93 -1.40 0.00 0.00 179.01 179.97 2ki8 h GLU 42 N 0.73 0.23 0.00 2.33 4.39 -1.93 -2.24 114.58 118.08 2ki8 h GLU 42 Ca 0.14 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2ki8 h GLU 42 Cb 0.49 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2ki8 h GLU 42 CO 0.02 0.15 -0.37 1.63 -1.16 0.00 0.00 179.01 179.28 2ki8 n LYS 43 N -4.42 1.17 0.11 2.33 5.02 -1.06 -4.83 118.16 116.48 2ki8 n LYS 43 Ca 0.15 -2.70 0.06 0.00 -2.02 0.00 0.00 58.31 53.79 2ki8 n LYS 43 Cb 0.66 -1.31 0.31 0.00 -0.02 0.00 0.00 35.03 34.67 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ki8 n LEU 44 N -0.98 0.30 -4.22 -0.35 -0.00 0.14 -3.71 117.00 108.18 2ki8 n LEU 44 Ca 0.15 0.57 -0.29 0.00 -0.00 0.00 0.00 56.01 56.44 2ki8 n LEU 44 Cb 0.72 -0.57 0.27 0.00 -0.00 0.00 0.00 43.42 43.84 2ki8 n LEU 44 CO -0.02 -0.67 0.32 1.07 -0.00 0.00 0.00 177.39 178.09 2ki8 n THR 45 N -1.90 0.00 -0.34 1.96 5.66 -1.26 -4.64 114.28 113.76 2ki8 n THR 45 Ca -0.01 -0.08 0.25 0.00 -3.05 0.00 0.00 64.05 61.17 2ki8 n THR 45 Cb 0.16 -0.93 0.54 0.00 -1.55 0.00 0.00 70.33 68.56 2ki8 n THR 45 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2ki8 h GLU 46 N -3.42 0.32 -0.67 1.09 4.57 -1.98 0.10 114.58 114.60 2ki8 h GLU 46 Ca -0.41 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 57.85 2ki8 h GLU 46 Cb 1.27 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 2ki8 h GLU 46 CO 0.26 0.21 0.45 0.93 -1.18 0.00 0.00 179.01 179.68 2ki8 h GLU 47 N 0.33 0.48 0.00 1.92 3.07 -1.88 0.31 114.58 118.81 2ki8 h GLU 47 Ca 0.62 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.40 2ki8 h GLU 47 Cb 1.70 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.49 2ki8 h GLU 47 CO -0.30 0.32 -0.26 -0.92 -1.40 0.00 0.00 179.01 176.45 2ki8 h TYR 48 N 0.49 0.00 -0.03 4.33 5.03 -0.87 -2.21 116.97 123.72 2ki8 h TYR 48 Ca 0.31 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.62 2ki8 h TYR 48 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.84 2ki8 h TYR 48 CO -0.00 0.26 0.00 0.34 -1.32 0.00 0.00 178.16 177.43 2ki8 n PHE 49 N -3.24 0.02 0.00 -3.82 7.35 0.97 -4.10 117.46 114.65 2ki8 n PHE 49 Ca 0.02 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2ki8 n PHE 49 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2ki8 n ASN 50 N 0.29 2.07 0.13 -2.13 0.23 -0.41 -4.63 115.26 110.81 2ki8 n ASN 50 Ca 0.18 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.22 2ki8 n ASN 50 Cb 0.37 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.30 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ki8 h ALA 51 N 0.00 1.10 -0.06 -2.53 0.00 -1.60 -3.24 119.26 112.93 2ki8 h ALA 51 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ki8 h ALA 51 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ki8 h ALA 51 CO 0.00 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.22 2ki8 n VAL 52 N -3.94 1.59 -0.79 0.00 0.24 -1.26 -4.70 118.33 109.46 2ki8 n VAL 52 Ca -0.02 -1.73 0.08 0.00 -2.04 0.00 0.00 64.34 60.64 2ki8 n VAL 52 Cb 0.53 0.05 0.32 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.88 4.61 -4.16 -1.34 5.03 -1.22 -4.63 115.26 112.67 2ki8 n ASN 53 Ca 0.11 -2.75 -0.11 0.00 0.87 0.00 0.00 54.58 52.71 2ki8 n ASN 53 Cb 0.53 -0.57 -0.09 0.00 -1.02 0.00 0.00 39.78 38.63 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 -2.38 0.98 0.02 3.10 1.13 -1.26 -1.11 117.35 117.83 2ki8 s TYR 54 Ca 0.47 -1.26 0.02 0.00 -1.41 0.00 0.00 57.07 54.89 2ki8 s TYR 54 Cb 0.34 -0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2ki8 s TYR 54 CO 0.16 -0.64 -0.06 0.00 -2.51 0.00 0.00 175.55 172.49 2ki8 s ALA 55 N -4.11 0.50 -0.37 9.51 0.00 -0.32 -4.32 121.76 122.66 2ki8 s ALA 55 Ca 0.33 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2ki8 s ALA 55 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2ki8 s ALA 55 CO 0.08 0.05 0.40 -1.21 0.00 0.00 0.00 175.76 175.09 2ki8 s GLU 56 N -0.77 3.39 0.05 0.00 2.02 0.49 -0.73 118.70 123.15 2ki8 s GLU 56 Ca -0.03 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2ki8 s GLU 56 Cb -0.06 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2ki8 s GLU 56 CO 0.00 -0.66 -0.05 0.42 0.02 0.00 0.00 175.26 175.00 2ki8 s ILE 57 N 2.09 3.74 0.42 -1.63 1.09 0.15 -1.67 121.20 125.39 2ki8 s ILE 57 Ca 0.12 -0.92 -0.25 0.00 -1.10 0.00 0.00 60.65 58.50 2ki8 s ILE 57 Cb -0.17 -2.70 -0.08 0.00 -1.06 0.00 0.00 42.46 38.45 2ki8 s ILE 57 CO 0.12 0.26 1.29 0.21 -0.10 0.00 0.00 174.94 176.73 2ki8 s ASN 58 N -1.84 6.23 0.30 3.58 3.84 -1.26 -1.51 114.94 124.28 2ki8 s ASN 58 Ca 0.21 2.63 -0.00 0.00 0.21 0.00 0.00 52.86 55.90 2ki8 s ASN 58 Cb -0.11 -2.63 0.51 0.00 -0.55 0.00 0.00 41.25 38.46 2ki8 s ASN 58 CO 0.12 -0.90 1.93 -0.08 -2.79 0.00 0.00 177.10 175.38 2ki8 h GLU 59 N 2.54 1.02 -0.19 0.43 4.81 -1.88 0.24 114.58 121.55 2ki8 h GLU 59 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2ki8 h GLU 59 Cb 1.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2ki8 h GLU 59 CO 0.62 0.68 0.12 0.93 -0.73 0.00 0.00 179.01 180.63 2ki8 h GLU 60 N 1.05 0.26 -0.62 1.92 5.08 -1.98 -0.48 114.58 119.82 2ki8 h GLU 60 Ca 0.36 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2ki8 h GLU 60 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2ki8 h GLU 60 CO -0.12 0.19 0.16 -0.44 -1.00 0.00 0.00 179.01 177.81 2ki8 h ASP 61 N 0.24 0.89 -0.24 1.42 3.32 -1.76 -0.32 116.42 119.98 2ki8 h ASP 61 Ca 0.07 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.01 2ki8 h ASP 61 Cb -0.00 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 2ki8 h ASP 61 CO -0.01 0.85 -0.15 -0.25 -1.72 0.00 0.00 179.24 177.96 2ki8 h TRP 62 N 0.91 -0.37 -0.29 4.55 2.91 -0.09 0.13 115.95 123.70 2ki8 h TRP 62 Ca 0.20 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.14 2ki8 h TRP 62 Cb 0.31 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 2ki8 h TRP 62 CO 0.02 -0.22 -0.27 -0.91 -1.03 0.00 0.00 178.44 176.03 2ki8 h ASN 63 N -0.14 0.60 -0.89 2.65 2.35 -0.90 -1.61 115.58 117.64 2ki8 h ASN 63 Ca 0.13 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2ki8 h ASN 63 Cb 0.33 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 2ki8 h ASN 63 CO -0.32 0.85 0.48 0.00 -1.65 0.00 0.00 177.43 176.79 2ki8 h ALA 64 N 1.19 1.16 0.00 -0.83 0.00 -0.35 -2.20 119.26 118.23 2ki8 h ALA 64 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ki8 h ALA 64 Cb 0.74 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ki8 h ALA 64 CO 0.06 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.90 2ki8 h LEU 65 N 1.25 0.00 -2.12 0.00 3.38 -0.62 -3.48 115.31 113.72 2ki8 h LEU 65 Ca 0.31 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 2ki8 h LEU 65 Cb 0.04 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.91 2ki8 h LEU 65 CO -0.05 0.00 -0.53 0.61 0.09 0.00 0.00 178.44 178.57 2ki8 n GLY 66 N 1.19 -0.23 3.93 0.83 0.00 -0.75 -4.63 105.19 105.53 2ki8 n GLY 66 Ca 0.05 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.74 3.84 -0.07 0.99 1.43 -0.68 -5.04 118.68 114.40 2ki8 s LEU 67 Ca 0.12 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2ki8 s LEU 67 Cb -0.02 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2ki8 s LEU 67 CO 0.48 -0.43 -0.10 -1.58 0.23 0.00 0.00 176.35 174.95 2ki8 s GLN 68 N -4.51 1.57 -0.74 1.70 0.74 -1.26 -4.91 119.66 112.25 2ki8 s GLN 68 Ca 0.43 -0.35 -0.27 0.00 0.05 0.00 0.00 55.36 55.23 2ki8 s GLN 68 Cb -0.10 -1.38 -0.15 0.00 1.10 0.00 0.00 33.01 32.48 2ki8 s GLN 68 CO 0.40 -0.05 2.52 0.39 -0.55 0.00 0.00 175.29 178.00 2ki8 n GLU 69 N 4.08 0.53 0.00 1.67 1.02 -1.26 -0.24 120.64 126.44 2ki8 n GLU 69 Ca -0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2ki8 n GLU 69 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 2ki8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ki8 n GLY 70 N 6.23 1.43 0.00 0.62 0.00 -1.18 -5.09 105.19 107.21 2ki8 n GLY 70 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2ki8 n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ki8 n ASP 71 N 0.00 0.00 -4.47 1.61 5.75 0.66 -4.78 116.55 115.32 2ki8 n ASP 71 Ca 0.00 -0.90 -0.34 0.00 -0.01 0.00 0.00 54.79 53.54 2ki8 n ASP 71 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ki8 s ARG 72 N -2.18 3.64 -0.03 0.11 3.00 -1.26 -1.77 118.95 120.45 2ki8 s ARG 72 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 55.73 55.26 2ki8 s ARG 72 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 34.95 31.97 2ki8 s ARG 72 CO 0.00 0.14 -0.20 0.14 0.00 0.00 0.00 175.30 175.39 2ki8 s VAL 73 N 0.63 1.60 -0.22 3.52 -7.23 -0.62 -3.77 120.40 114.30 2ki8 s VAL 73 Ca -0.02 -0.85 -0.09 0.00 -1.81 0.00 0.00 61.98 59.22 2ki8 s VAL 73 Cb -0.14 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2ki8 s VAL 73 CO 0.02 0.45 0.10 -0.75 -0.31 0.00 0.00 175.10 174.62 2ki8 s LYS 74 N -0.33 3.94 -0.17 4.82 2.20 -0.81 -1.44 119.74 127.97 2ki8 s LYS 74 Ca 0.04 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.24 2ki8 s LYS 74 Cb -0.09 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2ki8 s LYS 74 CO 0.00 0.08 0.05 0.08 -0.36 0.00 0.00 175.35 175.20 2ki8 s VAL 75 N 0.94 4.67 -0.03 4.02 1.01 0.23 -1.47 120.40 129.76 2ki8 s VAL 75 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2ki8 s VAL 75 Cb -0.14 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2ki8 s VAL 75 CO 0.03 0.48 -0.05 -0.54 0.00 0.00 0.00 175.10 175.02 2ki8 s LYS 76 N 0.20 0.81 0.04 2.72 1.02 0.16 -1.44 119.74 123.25 2ki8 s LYS 76 Ca 0.03 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 55.88 2ki8 s LYS 76 Cb -0.12 -0.79 -0.00 0.00 -0.52 0.00 0.00 37.83 36.39 2ki8 s LYS 76 CO 0.01 -0.02 0.03 0.25 -0.92 0.00 0.00 175.35 174.70 2ki8 n THR 77 N 3.75 0.00 0.30 2.17 -2.24 -0.26 -0.51 114.28 117.50 2ki8 n THR 77 Ca -0.23 -0.31 0.17 0.00 -2.27 0.00 0.00 64.05 61.42 2ki8 n THR 77 Cb 0.52 0.15 0.82 0.00 -2.10 0.00 0.00 70.33 69.72 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 -3.25 114.58 112.79 2ki8 h GLU 78 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 2ki8 h GLU 78 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ki8 h GLU 78 CO 0.05 0.00 -0.69 0.74 0.07 0.00 0.00 179.01 179.18 2ki8 h PHE 79 N 0.00 0.00 -0.09 2.06 0.04 -1.83 -3.51 116.94 113.61 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 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2ki8 h PHE 79 CO 0.00 0.65 0.00 0.41 -0.60 0.00 0.00 178.31 178.77 2ki8 n GLY 80 N 1.57 1.34 3.08 -1.45 0.00 -0.72 -4.97 105.19 104.04 2ki8 n GLY 80 Ca -0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 1.58 0.59 -0.08 1.61 1.03 -1.23 -1.10 118.70 121.10 2ki8 s GLU 81 Ca 0.00 -0.96 -0.16 0.00 0.03 0.00 0.00 54.97 53.89 2ki8 s GLU 81 Cb 0.00 -0.14 0.03 0.00 -0.80 0.00 0.00 34.13 33.22 2ki8 s GLU 81 CO 0.00 -0.01 0.38 0.54 -1.33 0.00 0.00 175.26 174.84 2ki8 s VAL 82 N -2.35 0.03 -0.25 1.83 0.11 -0.52 -4.87 120.40 114.37 2ki8 s VAL 82 Ca -0.03 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 2ki8 s VAL 82 Cb -0.03 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2ki8 s VAL 82 CO -0.03 -0.12 0.01 -0.69 -3.33 0.00 0.00 175.10 170.95 2ki8 s VAL 83 N -0.60 3.64 0.40 2.04 1.01 -1.26 -0.60 120.40 125.04 2ki8 s VAL 83 Ca -0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2ki8 s VAL 83 Cb -0.04 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2ki8 s VAL 83 CO 0.03 0.27 0.06 0.68 0.00 0.00 0.00 175.10 176.14 2ki8 s VAL 84 N 1.49 1.16 0.10 2.92 -7.23 -0.52 -2.47 120.40 115.85 2ki8 s VAL 84 Ca 0.04 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 2ki8 s VAL 84 Cb -0.16 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2ki8 s VAL 84 CO -0.01 0.00 1.04 -0.36 -0.31 0.00 0.00 175.10 175.46 2ki8 s PHE 85 N -3.08 3.67 -0.11 2.82 0.08 -0.27 -1.59 117.98 119.50 2ki8 s PHE 85 Ca 0.26 1.66 -0.26 0.00 0.12 0.00 0.00 56.93 58.71 2ki8 s PHE 85 Cb 0.06 -3.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.31 2ki8 s PHE 85 CO 0.13 -0.26 0.83 0.00 -0.10 0.00 0.00 175.22 175.82 2ki8 s ALA 86 N 0.30 3.40 0.08 5.36 0.00 -0.73 -1.17 121.76 129.00 2ki8 s ALA 86 Ca 0.50 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.68 2ki8 s ALA 86 Cb -0.25 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2ki8 s ALA 86 CO 0.31 -0.43 -0.12 0.15 0.00 0.00 0.00 175.76 175.66 2ki8 s LYS 87 N 1.59 0.80 -0.23 0.00 1.02 0.09 -3.08 119.74 119.94 2ki8 s LYS 87 Ca 0.41 -1.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 2ki8 s LYS 87 Cb -0.18 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 2ki8 s LYS 87 CO 0.17 0.13 0.58 0.21 -0.92 0.00 0.00 175.35 175.52 2ki8 s LYS 88 N -2.12 4.15 0.45 1.68 2.20 -1.26 -0.67 119.74 124.17 2ki8 s LYS 88 Ca 0.00 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 2ki8 s LYS 88 Cb -0.07 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2ki8 s LYS 88 CO 0.01 -0.29 0.01 0.41 -0.36 0.00 0.00 175.35 175.13 2ki8 n GLY 89 N 4.03 3.62 0.91 5.54 0.00 -0.57 -4.83 105.19 113.89 2ki8 n GLY 89 Ca -0.02 -2.34 0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.29 2.66 -4.74 1.61 9.92 -1.26 -4.52 116.55 118.92 2ki8 n ASP 90 Ca -0.18 -1.96 -0.35 0.00 -0.53 0.00 0.00 54.79 51.77 2ki8 n ASP 90 Cb 0.57 -0.30 0.07 0.00 -0.64 0.00 0.00 41.12 40.81 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ki8 s VAL 91 N -1.39 2.52 0.72 2.53 -7.23 -1.26 -5.01 120.40 111.27 2ki8 s VAL 91 Ca 0.34 0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 60.66 2ki8 s VAL 91 Cb 0.18 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2ki8 s VAL 91 CO 0.24 -0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.85 2ki8 s PRO 92 N -3.75 2.54 0.40 4.82 0.04 -1.26 -4.44 135.00 133.35 2ki8 s PRO 92 Ca 0.75 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 2ki8 s PRO 92 Cb -0.29 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2ki8 s PRO 92 CO 0.41 -1.44 1.34 0.21 0.04 0.00 0.00 177.00 177.56 2ki8 s LYS 93 N -4.54 3.97 -0.67 4.56 2.20 -1.26 -2.31 119.74 121.69 2ki8 s LYS 93 Ca 0.64 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.48 2ki8 s LYS 93 Cb -0.18 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2ki8 s LYS 93 CO 0.49 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2ki8 n GLY 94 N 0.65 0.42 3.43 5.54 0.00 -1.26 -5.04 105.19 108.94 2ki8 n GLY 94 Ca 0.03 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.65 0.59 0.03 1.61 0.00 -0.98 -2.19 119.30 114.71 2ki8 s MET 95 Ca 0.00 0.82 0.03 0.00 0.00 0.00 0.00 55.69 56.54 2ki8 s MET 95 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 34.83 35.03 2ki8 s MET 95 CO 0.00 -0.10 -0.08 0.96 0.00 0.00 0.00 175.02 175.80 2ki8 s ILE 96 N 0.68 0.62 -0.14 10.11 -4.36 0.10 -4.29 121.20 123.92 2ki8 s ILE 96 Ca -0.03 -0.78 -0.06 0.00 -0.26 0.00 0.00 60.65 59.52 2ki8 s ILE 96 Cb -0.05 -0.61 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 2ki8 s ILE 96 CO -0.05 -0.13 0.06 0.12 0.24 0.00 0.00 174.94 175.18 2ki8 s PHE 97 N -0.85 3.29 -0.04 1.37 5.36 -0.67 -2.36 117.98 124.09 2ki8 s PHE 97 Ca -0.03 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 2ki8 s PHE 97 Cb -0.07 -1.97 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 2ki8 s PHE 97 CO 0.00 0.36 -0.10 0.42 -1.46 0.00 0.00 175.22 174.44 2ki8 s ILE 98 N -0.28 0.93 0.18 3.12 1.01 0.11 -0.38 121.20 125.89 2ki8 s ILE 98 Ca 0.08 -0.40 -0.32 0.00 0.00 0.00 0.00 60.65 60.01 2ki8 s ILE 98 Cb -0.12 -0.84 -0.11 0.00 0.01 0.00 0.00 42.46 41.40 2ki8 s ILE 98 CO 0.02 0.30 1.69 -2.84 0.00 0.00 0.00 174.94 174.10 2ki8 s PRO 99 N 0.44 4.16 -0.41 2.79 0.02 -1.26 -2.15 135.00 138.59 2ki8 s PRO 99 Ca -0.08 2.52 -0.28 0.00 0.02 0.00 0.00 61.00 63.18 2ki8 s PRO 99 Cb -0.12 -3.20 -0.08 0.00 0.02 0.00 0.00 34.50 31.12 2ki8 s PRO 99 CO 0.02 -0.72 2.34 -0.12 -0.33 0.00 0.00 177.00 178.18 2ki8 n MET 100 N 4.31 1.31 -2.44 5.54 1.56 0.21 -4.52 117.12 123.10 2ki8 n MET 100 Ca 0.16 0.22 -0.05 0.00 -0.27 0.00 0.00 57.70 57.76 2ki8 n MET 100 Cb 0.37 -3.15 0.01 0.00 2.15 0.00 0.00 33.22 32.60 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 6.02 1.55 0.35 -5.12 0.00 -1.26 -4.61 105.19 102.12 2ki8 n GLY 101 Ca 0.37 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.36 0.08 1.61 0.13 -1.90 0.14 132.00 132.43 2ki8 h PRO 102 Ca -0.17 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2ki8 h PRO 102 Cb 0.63 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2ki8 h PRO 102 CO 0.21 0.24 -0.04 1.88 -0.23 0.00 0.00 178.00 180.06 2ki8 h TYR 103 N 0.37 -0.10 -0.86 1.56 -1.99 -1.91 -2.92 116.97 111.12 2ki8 h TYR 103 Ca 0.26 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.00 2ki8 h TYR 103 Cb 0.53 0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.25 2ki8 h TYR 103 CO -0.00 0.09 0.57 0.00 -0.00 0.00 0.00 178.16 178.82 2ki8 h ALA 104 N 0.63 1.09 -0.61 3.88 0.00 -1.45 -2.28 119.26 120.52 2ki8 h ALA 104 Ca -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.02 2ki8 h ALA 104 Cb 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2ki8 h ALA 104 CO 0.02 0.50 0.47 -0.91 0.00 0.00 0.00 179.25 179.32 2ki8 h ASN 105 N 1.17 0.00 0.44 0.00 2.35 -0.65 0.43 115.58 119.32 2ki8 h ASN 105 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2ki8 h ASN 105 Cb -0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2ki8 h ASN 105 CO -0.07 0.00 -0.12 0.24 -1.65 0.00 0.00 177.43 175.83 2ki8 h MET 106 N 0.00 0.00 0.00 0.81 2.86 -1.22 -3.32 114.93 114.06 2ki8 h MET 106 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2ki8 h MET 106 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2ki8 h MET 106 CO -0.00 0.12 -0.18 1.33 1.06 0.00 0.00 176.91 179.23 2ki8 n VAL 107 N -3.55 0.00 -3.67 -2.22 0.24 0.27 -1.75 118.33 107.64 2ki8 n VAL 107 Ca -0.02 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.34 61.83 2ki8 n VAL 107 Cb 0.25 0.80 0.02 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.72 0.00 -3.59 1.34 -5.35 0.13 -4.68 119.36 106.49 2ki8 n ILE 108 Ca 0.00 -2.06 -0.41 0.00 -0.27 0.00 0.00 62.75 60.01 2ki8 n ILE 108 Cb 0.00 -0.16 -0.11 0.00 -1.74 0.00 0.00 39.64 37.64 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 -4.22 5.71 0.00 7.28 2.15 -1.26 -4.80 116.67 121.53 2ki8 s ASP 109 Ca 0.37 -1.20 0.00 0.00 0.43 0.00 0.00 52.55 52.16 2ki8 s ASP 109 Cb -0.03 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 2ki8 s ASP 109 CO 0.24 -0.45 0.81 -0.81 -0.17 0.00 0.00 175.17 174.78 2ki8 n PRO 110 N 4.98 1.00 0.16 4.34 -0.04 -1.26 -3.71 135.00 140.47 2ki8 n PRO 110 Ca -0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2ki8 n PRO 110 Cb 0.45 -1.19 0.25 0.00 -0.04 0.00 0.00 33.50 32.96 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2ki8 h SER 111 N 0.00 0.00 -3.50 3.54 0.02 -2.02 -3.43 113.55 108.16 2ki8 h SER 111 Ca 0.00 -0.01 -0.70 0.00 -0.84 0.00 0.00 61.79 60.24 2ki8 h SER 111 Cb 0.19 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.53 2ki8 h SER 111 CO 0.00 0.00 -0.27 0.28 -1.14 0.00 0.00 176.83 175.71 2ki8 s THR 112 N -3.18 5.13 -1.22 -2.27 -1.32 -1.24 -5.00 115.64 106.54 2ki8 s THR 112 Ca 0.08 -0.48 -0.19 0.00 -1.21 0.00 0.00 61.69 59.89 2ki8 s THR 112 Cb 0.08 -4.02 -0.01 0.00 -1.51 0.00 0.00 72.50 67.03 2ki8 s THR 112 CO 0.65 -0.42 1.91 0.47 -2.21 0.00 0.00 174.62 175.03 2ki8 n ASP 113 N 5.48 3.87 -0.60 8.08 8.00 -1.26 -4.91 116.55 135.21 2ki8 n ASP 113 Ca -0.09 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.61 2ki8 n ASP 113 Cb 0.47 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 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 5.13 -0.46 1.87 0.44 0.00 -1.26 -4.93 105.19 105.98 2ki8 n GLY 114 Ca 0.49 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ki8 n THR 115 N -1.20 0.14 0.00 2.61 -2.24 -1.26 -5.16 114.28 107.17 2ki8 n THR 115 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2ki8 n THR 115 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2ki8 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ki8 n GLY 116 N 1.76 2.10 0.90 3.38 0.00 -1.26 -5.10 105.19 106.96 2ki8 n GLY 116 Ca 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.12 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ki8 n MET 117 N 1.09 -2.11 -1.55 1.61 2.81 -1.26 -4.66 117.12 113.05 2ki8 n MET 117 Ca 0.00 1.72 -0.26 0.00 -1.81 0.00 0.00 57.70 57.35 2ki8 n MET 117 Cb 0.00 -2.43 -0.07 0.00 -0.71 0.00 0.00 33.22 30.01 2ki8 n MET 117 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2ki8 n PRO 118 N -3.36 0.69 -0.01 0.03 -0.02 -1.26 -4.68 135.00 126.38 2ki8 n PRO 118 Ca -0.06 -0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.10 2ki8 n PRO 118 Cb 0.42 -3.21 -0.06 0.00 -0.02 0.00 0.00 33.50 30.63 2ki8 n PRO 118 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2ki8 n GLN 119 N 8.63 1.09 0.00 -0.52 6.02 -1.26 -5.13 117.38 126.21 2ki8 n GLN 119 Ca 0.46 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2ki8 n GLN 119 Cb 0.43 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ki8 n PHE 120 N -1.92 -0.91 -1.76 1.08 3.72 -1.26 -5.04 117.46 111.37 2ki8 n PHE 120 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 2ki8 n PHE 120 Cb 0.36 0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 2ki8 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ki8 n LYS 121 N -0.01 -0.96 0.00 -1.08 5.02 -1.26 -5.10 118.16 114.76 2ki8 n LYS 121 Ca 0.00 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 2ki8 n LYS 121 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ki8 n GLY 122 N 0.31 5.02 3.76 0.72 0.00 -1.26 -4.95 105.19 108.79 2ki8 n GLY 122 Ca -0.07 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 1.64 5.14 0.29 1.61 1.01 0.12 -4.73 120.40 125.48 2ki8 s VAL 123 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2ki8 s VAL 123 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2ki8 s VAL 123 CO 0.00 0.43 1.08 -0.54 0.00 0.00 0.00 175.10 176.07 2ki8 s LYS 124 N -0.03 4.59 0.00 2.72 3.01 -1.26 -0.03 119.74 128.74 2ki8 s LYS 124 Ca 0.24 1.74 0.00 0.00 -1.01 0.00 0.00 55.97 56.93 2ki8 s LYS 124 Cb -0.15 -3.11 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 2ki8 s LYS 124 CO 0.11 0.19 0.00 0.41 0.51 0.00 0.00 175.35 176.57 2ki8 n GLY 125 N 1.10 1.53 3.38 -3.33 0.00 -0.52 -4.59 105.19 102.76 2ki8 n GLY 125 Ca -0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.52 2.11 0.01 2.61 -4.23 0.34 -0.95 115.64 113.01 2ki8 s THR 126 Ca 0.00 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2ki8 s THR 126 Cb 0.00 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2ki8 s THR 126 CO 0.00 -0.23 -0.14 0.54 -0.54 0.00 0.00 174.62 174.25 2ki8 s VAL 127 N -1.91 1.08 -0.00 2.29 0.11 -0.47 -0.67 120.40 120.83 2ki8 s VAL 127 Ca 0.19 -0.78 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2ki8 s VAL 127 Cb -0.07 -0.94 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2ki8 s VAL 127 CO 0.09 0.16 0.09 -1.83 -3.33 0.00 0.00 175.10 170.27 2ki8 s GLU 128 N -0.71 0.36 -0.46 1.54 -1.05 -0.54 -0.46 118.70 117.37 2ki8 s GLU 128 Ca 0.03 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.24 2ki8 s GLU 128 Cb -0.06 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.79 2ki8 s GLU 128 CO 0.00 -0.08 1.31 0.21 0.95 0.00 0.00 175.26 177.66 2ki8 s LYS 129 N -1.07 3.59 0.28 -4.83 2.47 -1.18 -1.92 119.74 117.07 2ki8 s LYS 129 Ca -0.12 0.72 0.09 0.00 -1.56 0.00 0.00 55.97 55.10 2ki8 s LYS 129 Cb -0.07 -4.00 -0.05 0.00 -1.46 0.00 0.00 37.83 32.25 2ki8 s LYS 129 CO 0.01 -1.56 -0.12 -0.08 0.16 0.00 0.00 175.35 173.76 2ki8 s THR 130 N 5.17 2.01 -0.88 3.43 -1.32 -1.25 -4.59 115.64 118.21 2ki8 s THR 130 Ca 0.55 -2.23 0.28 0.00 -1.21 0.00 0.00 61.69 59.07 2ki8 s THR 130 Cb -0.11 -2.36 0.26 0.00 -1.51 0.00 0.00 72.50 68.78 2ki8 s THR 130 CO 0.31 -0.37 1.86 -0.67 -2.21 0.00 0.00 174.62 173.54 2ki8 n ASP 131 N -0.59 0.37 -4.68 8.08 2.03 -1.26 -4.80 116.55 115.70 2ki8 n ASP 131 Ca -0.06 0.53 -0.31 0.00 0.52 0.00 0.00 54.79 55.48 2ki8 n ASP 131 Cb 0.62 -0.63 0.16 0.00 -0.72 0.00 0.00 41.12 40.55 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ki8 s GLU 132 N -3.05 1.05 0.34 -0.67 0.41 -1.26 -5.04 118.70 110.47 2ki8 s GLU 132 Ca 0.12 1.51 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 2ki8 s GLU 132 Cb 0.16 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.74 2ki8 s GLU 132 CO 0.56 -2.60 0.53 -1.59 -0.49 0.00 0.00 175.26 171.67 2ki8 s LYS 133 N -4.66 3.46 0.22 1.61 -2.85 -1.26 -4.81 119.74 111.44 2ki8 s LYS 133 Ca 0.66 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.93 2ki8 s LYS 133 Cb -0.22 -2.69 -0.09 0.00 -2.06 0.00 0.00 37.83 32.77 2ki8 s LYS 133 CO 0.58 0.17 1.20 0.08 0.10 0.00 0.00 175.35 177.48 2ki8 s VAL 134 N -2.28 3.44 0.12 1.79 1.01 -1.26 -4.72 120.40 118.51 2ki8 s VAL 134 Ca 0.39 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2ki8 s VAL 134 Cb -0.10 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2ki8 s VAL 134 CO 0.35 0.23 1.20 -0.76 0.00 0.00 0.00 175.10 176.13 2ki8 s LEU 135 N -0.61 4.41 0.46 3.92 1.43 -1.03 -5.03 118.68 122.23 2ki8 s LEU 135 Ca 0.51 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.51 2ki8 s LEU 135 Cb -0.33 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 2ki8 s LEU 135 CO 0.39 -0.43 1.08 -0.55 0.23 0.00 0.00 176.35 177.08 2ki8 s SER 136 N 0.63 6.36 0.20 2.29 0.15 -1.26 -4.82 113.70 117.25 2ki8 s SER 136 Ca 0.56 2.09 -0.18 0.00 0.70 0.00 0.00 55.95 59.12 2ki8 s SER 136 Cb -0.31 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.60 2ki8 s SER 136 CO 0.32 -0.77 1.60 0.58 1.20 0.00 0.00 173.24 176.17 2ki8 h VAL 137 N 1.80 0.23 -0.10 4.45 2.07 -1.96 0.25 116.25 122.99 2ki8 h VAL 137 Ca -0.49 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.85 2ki8 h VAL 137 Cb 1.23 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2ki8 h VAL 137 CO 0.60 0.00 -0.70 0.50 0.02 0.00 0.00 177.57 178.00 2ki8 h LYS 138 N -0.10 0.45 -0.36 1.57 3.64 -1.97 -2.93 116.57 116.85 2ki8 h LYS 138 Ca 0.27 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2ki8 h LYS 138 Cb 0.53 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2ki8 h LYS 138 CO -0.69 0.97 0.19 1.49 -2.27 0.00 0.00 179.45 179.15 2ki8 h GLU 139 N 0.31 0.50 -0.57 1.90 4.81 -1.32 0.18 114.58 120.38 2ki8 h GLU 139 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2ki8 h GLU 139 Cb 1.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2ki8 h GLU 139 CO 0.12 0.37 0.37 1.25 -0.73 0.00 0.00 179.01 180.39 2ki8 h LEU 140 N 0.50 0.67 -0.80 1.64 6.46 -0.52 0.11 115.31 123.38 2ki8 h LEU 140 Ca 0.13 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2ki8 h LEU 140 Cb 0.03 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 2ki8 h LEU 140 CO -0.02 0.51 0.44 -0.07 -0.62 0.00 0.00 178.44 178.67 2ki8 h LEU 141 N 0.78 1.00 -1.18 2.25 3.38 -0.60 -1.45 115.31 119.48 2ki8 h LEU 141 Ca 0.21 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2ki8 h LEU 141 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2ki8 h LEU 141 CO -0.04 0.81 -0.03 -0.33 0.09 0.00 0.00 178.44 178.93 2ki8 h GLU 142 N 1.11 0.53 -0.38 1.13 5.08 -0.50 0.29 114.58 121.84 2ki8 h GLU 142 Ca 0.28 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2ki8 h GLU 142 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2ki8 h GLU 142 CO -0.05 0.58 -0.11 0.00 -1.00 0.00 0.00 179.01 178.44 2ki8 h ALA 143 N 1.47 1.10 0.00 3.43 0.00 0.09 -2.87 119.26 122.48 2ki8 h ALA 143 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ki8 h ALA 143 Cb 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ki8 h ALA 143 CO 0.02 0.56 -0.73 -0.84 0.00 0.00 0.00 179.25 178.26 2ki8 h ILE 144 N 0.61 0.00 0.00 0.00 3.07 -0.96 -3.48 117.51 116.74 2ki8 h ILE 144 Ca 0.11 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2ki8 h ILE 144 Cb 0.54 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2ki8 h ILE 144 CO 0.03 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.74 2ki8 n GLY 145 N 1.29 0.33 0.89 0.16 0.00 0.75 -5.09 105.19 103.52 2ki8 n GLY 145 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06