#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 1.55 1.32 3.03 0.00 -1.26 -5.14 105.19 104.69 2ki8 n GLY 2 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ki8 n SER 3 N -0.23 -0.59 -3.98 1.61 3.41 -1.26 -5.20 113.62 107.38 2ki8 n SER 3 Ca 0.00 -1.70 -0.08 0.00 -0.26 0.00 0.00 58.87 56.83 2ki8 n SER 3 Cb 0.00 1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.93 2ki8 n SER 3 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ki8 s SER 4 N -1.82 0.31 -0.19 4.04 0.15 -1.26 -5.16 113.70 109.77 2ki8 s SER 4 Ca 0.10 -0.82 -0.09 0.00 0.70 0.00 0.00 55.95 55.84 2ki8 s SER 4 Cb -0.01 0.26 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 2ki8 s SER 4 CO 0.07 -0.65 0.43 -1.38 1.20 0.00 0.00 173.24 172.91 2ki8 s HIS 5 N -3.82 -0.70 -0.29 3.44 0.00 -1.26 -5.16 115.29 107.49 2ki8 s HIS 5 Ca 0.05 1.42 -0.15 0.00 -3.00 0.00 0.00 55.06 53.39 2ki8 s HIS 5 Cb 0.06 0.30 0.14 0.00 -4.00 0.00 0.00 32.58 29.08 2ki8 s HIS 5 CO -0.10 -0.40 0.88 -3.38 -1.00 0.00 0.00 174.74 170.74 2ki8 s HIS 6 N 1.86 -0.81 -0.26 0.38 0.00 -1.26 -5.15 115.29 110.06 2ki8 s HIS 6 Ca -0.07 1.50 -0.02 0.00 -3.00 0.00 0.00 55.06 53.48 2ki8 s HIS 6 Cb -0.10 0.49 0.14 0.00 -4.00 0.00 0.00 32.58 29.11 2ki8 s HIS 6 CO -0.13 -0.40 0.39 -1.01 -1.00 0.00 0.00 174.74 172.58 2ki8 s HIS 7 N 2.04 -0.88 -0.35 0.38 4.02 -1.26 -5.10 115.29 114.14 2ki8 s HIS 7 Ca -0.06 0.72 0.01 0.00 1.02 0.00 0.00 55.06 56.75 2ki8 s HIS 7 Cb -0.06 -0.01 0.11 0.00 -1.02 0.00 0.00 32.58 31.59 2ki8 s HIS 7 CO -0.17 -0.79 0.12 -1.01 1.02 0.00 0.00 174.74 173.91 2ki8 s HIS 8 N 2.55 2.29 -0.08 1.40 0.09 -1.26 -5.10 115.29 115.18 2ki8 s HIS 8 Ca 0.12 -2.22 -0.00 0.00 -0.00 0.00 0.00 55.06 52.96 2ki8 s HIS 8 Cb -0.15 -2.07 0.02 0.00 -0.00 0.00 0.00 32.58 30.39 2ki8 s HIS 8 CO -0.20 -0.87 -0.05 -1.58 -0.00 0.00 0.00 174.74 172.04 2ki8 s HIS 9 N 1.14 1.05 -0.21 1.40 5.65 -1.26 -5.13 115.29 117.93 2ki8 s HIS 9 Ca 0.12 -0.41 -0.13 0.00 0.25 0.00 0.00 55.06 54.90 2ki8 s HIS 9 Cb -0.19 -0.94 0.06 0.00 -1.18 0.00 0.00 32.58 30.33 2ki8 s HIS 9 CO -0.15 -0.35 0.51 -3.38 -0.65 0.00 0.00 174.74 170.72 2ki8 s HIS 10 N 1.47 -0.74 -0.07 3.88 0.00 -1.26 -5.15 115.29 113.42 2ki8 s HIS 10 Ca -0.01 1.56 -0.03 0.00 -3.00 0.00 0.00 55.06 53.57 2ki8 s HIS 10 Cb -0.13 0.37 0.04 0.00 -4.00 0.00 0.00 32.58 28.86 2ki8 s HIS 10 CO -0.04 -0.39 0.13 0.45 -1.00 0.00 0.00 174.74 173.89 2ki8 s SER 11 N 1.31 0.62 0.24 7.38 0.15 -1.26 -5.16 113.70 116.98 2ki8 s SER 11 Ca -0.08 0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.91 2ki8 s SER 11 Cb -0.07 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2ki8 s SER 11 CO -0.13 -0.22 0.06 -0.94 1.20 0.00 0.00 173.24 173.21 2ki8 s SER 12 N 1.98 4.88 -0.30 5.45 1.04 -1.26 -5.13 113.70 120.36 2ki8 s SER 12 Ca 0.00 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 2ki8 s SER 12 Cb -0.12 -1.04 0.20 0.00 0.10 0.00 0.00 66.02 65.16 2ki8 s SER 12 CO -0.05 0.01 1.46 -0.83 0.98 0.00 0.00 173.24 174.81 2ki8 s GLY 13 N -3.59 0.32 -0.30 7.32 0.00 -1.26 -5.15 107.32 104.67 2ki8 s GLY 13 Ca 0.31 3.39 -0.02 0.00 0.00 0.00 0.00 44.72 48.40 2ki8 s GLY 13 CO 0.21 1.67 0.19 -1.60 0.00 0.00 0.00 173.10 173.57 2ki8 s ARG 14 N -0.34 0.28 0.05 2.90 6.06 -1.26 -5.12 118.95 121.51 2ki8 s ARG 14 Ca 0.09 -0.54 -0.27 0.00 -2.50 0.00 0.00 55.73 52.51 2ki8 s ARG 14 Cb -0.04 -1.04 0.07 0.00 0.06 0.00 0.00 34.95 34.01 2ki8 s ARG 14 CO -0.14 -1.05 0.67 -2.00 -2.50 0.00 0.00 175.30 170.27 2ki8 s GLU 15 N 2.02 1.13 -0.06 5.12 -6.30 -1.26 -5.17 118.70 114.19 2ki8 s GLU 15 Ca 0.10 -0.14 -0.01 0.00 -2.50 0.00 0.00 54.97 52.42 2ki8 s GLU 15 Cb -0.16 0.53 0.03 0.00 0.00 0.00 0.00 34.13 34.52 2ki8 s GLU 15 CO -0.31 -0.44 0.02 0.54 0.02 0.00 0.00 175.26 175.09 2ki8 s ASN 16 N -2.04 1.42 0.41 -1.70 2.20 -1.26 -5.15 114.94 108.83 2ki8 s ASN 16 Ca -0.04 -0.04 0.03 0.00 -0.94 0.00 0.00 52.86 51.88 2ki8 s ASN 16 Cb -0.01 -0.36 -0.03 0.00 -2.00 0.00 0.00 41.25 38.86 2ki8 s ASN 16 CO -0.03 -0.20 0.09 -0.76 -2.94 0.00 0.00 177.10 173.26 2ki8 s LEU 17 N 1.97 2.12 0.33 3.54 1.02 -1.26 -5.18 118.68 121.21 2ki8 s LEU 17 Ca 0.04 -1.60 -0.18 0.00 0.02 0.00 0.00 54.13 52.41 2ki8 s LEU 17 Cb -0.12 -0.31 0.05 0.00 0.02 0.00 0.00 46.19 45.83 2ki8 s LEU 17 CO -0.04 -0.84 0.82 -0.72 0.02 0.00 0.00 176.35 175.59 2ki8 s TYR 18 N -3.15 0.05 -0.27 0.29 1.13 -1.26 -5.15 117.35 108.99 2ki8 s TYR 18 Ca 0.23 -0.63 -0.08 0.00 -1.41 0.00 0.00 57.07 55.18 2ki8 s TYR 18 Cb 0.04 0.79 -0.02 0.00 -1.10 0.00 0.00 41.96 41.67 2ki8 s TYR 18 CO 0.13 -1.38 0.10 -0.06 -2.51 0.00 0.00 175.55 171.82 2ki8 s PHE 19 N -2.62 3.12 -0.11 -3.49 0.08 -1.26 -4.99 117.98 108.71 2ki8 s PHE 19 Ca 0.15 -0.50 -0.08 0.00 0.12 0.00 0.00 56.93 56.62 2ki8 s PHE 19 Cb -0.05 -2.28 -0.27 0.00 -0.57 0.00 0.00 43.02 39.86 2ki8 s PHE 19 CO 0.09 -0.40 0.42 0.37 -0.10 0.00 0.00 175.22 175.61 2ki8 h GLN 20 N 8.27 0.28 -2.82 0.44 4.15 -2.08 -3.47 115.11 119.88 2ki8 h GLN 20 Ca -0.36 -0.48 -0.15 0.00 0.77 0.00 0.00 58.65 58.42 2ki8 h GLN 20 Cb 1.16 0.18 -0.28 0.00 0.21 0.00 0.00 27.48 28.75 2ki8 h GLN 20 CO 0.59 1.23 -0.39 0.20 -1.93 0.00 0.00 178.83 178.53 2ki8 s GLY 21 N -5.45 -0.24 -0.38 2.39 0.00 -1.26 -5.11 107.32 97.28 2ki8 s GLY 21 Ca -0.21 1.27 0.03 0.00 0.00 0.00 0.00 44.72 45.81 2ki8 s GLY 21 CO 0.78 1.53 0.34 -1.58 0.00 0.00 0.00 173.10 174.17 2ki8 s HIS 22 N 1.41 0.10 0.56 1.90 2.46 -1.26 -5.15 115.29 115.31 2ki8 s HIS 22 Ca -0.09 -1.24 -0.08 0.00 0.47 0.00 0.00 55.06 54.12 2ki8 s HIS 22 Cb -0.10 -0.57 -0.03 0.00 -0.13 0.00 0.00 32.58 31.75 2ki8 s HIS 22 CO -0.11 -0.93 0.91 0.00 -2.47 0.00 0.00 174.74 172.15 2ki8 s MET 23 N 1.11 3.49 0.05 2.88 0.23 -1.26 -4.93 119.30 120.87 2ki8 s MET 23 Ca 0.20 0.43 0.07 0.00 -1.03 0.00 0.00 55.69 55.36 2ki8 s MET 23 Cb -0.14 -2.23 -0.03 0.00 -1.53 0.00 0.00 34.83 30.90 2ki8 s MET 23 CO -0.04 -0.43 -0.17 -0.51 -2.03 0.00 0.00 175.02 171.84 2ki8 s LEU 24 N -4.97 2.70 -0.19 0.18 1.43 -0.58 -4.99 118.68 112.26 2ki8 s LEU 24 Ca 0.52 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 2ki8 s LEU 24 Cb -0.11 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2ki8 s LEU 24 CO 0.49 0.24 0.48 -1.61 0.23 0.00 0.00 176.35 176.18 2ki8 s GLU 25 N -1.61 4.20 0.07 1.70 2.02 -1.26 -0.69 118.70 123.14 2ki8 s GLU 25 Ca 0.16 0.36 -0.03 0.00 0.02 0.00 0.00 54.97 55.48 2ki8 s GLU 25 Cb -0.11 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2ki8 s GLU 25 CO 0.07 -0.08 0.05 0.14 0.02 0.00 0.00 175.26 175.45 2ki8 s VAL 26 N 1.42 0.18 -0.32 2.63 -7.23 -0.22 -4.45 120.40 112.41 2ki8 s VAL 26 Ca 0.23 -1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2ki8 s VAL 26 Cb -0.15 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2ki8 s VAL 26 CO 0.09 -0.84 0.29 -0.70 -0.31 0.00 0.00 175.10 173.63 2ki8 s GLU 27 N -3.92 3.68 -0.52 4.82 2.12 -0.80 0.20 118.70 124.28 2ki8 s GLU 27 Ca 0.08 -0.41 -0.23 0.00 0.36 0.00 0.00 54.97 54.77 2ki8 s GLU 27 Cb 0.07 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.74 2ki8 s GLU 27 CO -0.09 -0.40 0.85 0.08 -0.54 0.00 0.00 175.26 175.17 2ki8 s VAL 28 N 1.88 4.53 0.36 3.70 1.01 0.26 -0.73 120.40 131.40 2ki8 s VAL 28 Ca 0.09 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 2ki8 s VAL 28 Cb -0.17 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2ki8 s VAL 28 CO 0.11 -0.98 0.61 -0.63 0.00 0.00 0.00 175.10 174.20 2ki8 s ILE 29 N 3.57 5.03 -0.32 2.22 1.01 -0.28 0.22 121.20 132.65 2ki8 s ILE 29 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 2ki8 s ILE 29 Cb -0.14 -3.82 0.12 0.00 0.01 0.00 0.00 42.46 38.64 2ki8 s ILE 29 CO 0.18 -0.55 0.18 -0.44 0.00 0.00 0.00 174.94 174.32 2ki8 s SER 30 N -3.74 3.15 -0.12 3.58 0.01 -1.21 -1.03 113.70 114.34 2ki8 s SER 30 Ca 0.43 -1.76 -0.24 0.00 1.31 0.00 0.00 55.95 55.69 2ki8 s SER 30 Cb -0.10 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 2ki8 s SER 30 CO 0.36 -0.37 0.77 -0.83 0.41 0.00 0.00 173.24 173.59 2ki8 s GLY 31 N 1.55 2.35 -0.72 3.44 0.00 -0.92 -4.50 107.32 108.51 2ki8 s GLY 31 Ca 0.14 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 2ki8 s GLY 31 CO -0.16 1.46 2.08 1.09 0.00 0.00 0.00 173.10 177.57 2ki8 s ARG 32 N 1.55 2.33 -0.09 2.90 1.70 -1.26 -0.75 118.95 125.32 2ki8 s ARG 32 Ca 0.38 0.43 -0.10 0.00 -0.47 0.00 0.00 55.73 55.97 2ki8 s ARG 32 Cb -0.17 -4.71 -0.03 0.00 -0.57 0.00 0.00 34.95 29.46 2ki8 s ARG 32 CO 0.15 -3.34 -0.19 0.25 -1.08 0.00 0.00 175.30 171.10 2ki8 n THR 33 N 7.84 0.88 0.65 4.99 -2.24 -1.26 -4.67 114.28 120.47 2ki8 n THR 33 Ca 0.34 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.49 2ki8 n THR 33 Cb 0.49 -1.94 0.25 0.00 -2.10 0.00 0.00 70.33 67.03 2ki8 n THR 33 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ki8 n LEU 34 N -3.61 2.44 -3.50 3.22 4.32 -1.26 -4.66 117.00 113.94 2ki8 n LEU 34 Ca -0.08 -1.15 -0.38 0.00 -0.02 0.00 0.00 56.01 54.38 2ki8 n LEU 34 Cb 0.28 -0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 41.80 2ki8 n LEU 34 CO 0.11 0.58 2.74 -3.20 -1.22 0.00 0.00 177.39 176.40 2ki8 n ASN 35 N 0.82 5.21 -0.78 -1.43 2.85 -1.26 -4.70 115.26 115.97 2ki8 n ASN 35 Ca 0.16 -2.65 0.01 0.00 -0.11 0.00 0.00 54.58 51.99 2ki8 n ASN 35 Cb 0.41 -1.44 0.06 0.00 1.24 0.00 0.00 39.78 40.05 2ki8 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ki8 n GLN 36 N 5.23 1.60 -2.16 1.20 6.02 -1.26 -4.80 117.38 123.22 2ki8 n GLN 36 Ca 0.58 -0.52 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 2ki8 n GLN 36 Cb 0.30 -1.58 0.02 0.00 1.02 0.00 0.00 30.24 30.00 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 0.12 0.33 3.45 1.08 0.00 -1.26 -5.08 105.19 103.83 2ki8 n GLY 37 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.08 -1.52 0.68 4.61 0.00 -1.26 -5.17 121.76 116.01 2ki8 s ALA 38 Ca 0.04 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 2ki8 s ALA 38 Cb -0.01 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 2ki8 s ALA 38 CO 0.17 -0.79 1.07 0.95 0.00 0.00 0.00 175.76 177.16 2ki8 s THR 39 N -3.77 4.01 0.42 0.00 -4.23 -1.26 -4.97 115.64 105.85 2ki8 s THR 39 Ca 0.02 0.65 0.11 0.00 -1.18 0.00 0.00 61.69 61.29 2ki8 s THR 39 Cb -0.01 -3.59 0.20 0.00 1.34 0.00 0.00 72.50 70.44 2ki8 s THR 39 CO -0.11 -0.85 1.99 0.58 -0.54 0.00 0.00 174.62 175.69 2ki8 h VAL 40 N -0.57 1.13 0.00 2.29 2.07 -2.01 -1.75 116.25 117.40 2ki8 h VAL 40 Ca -0.45 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2ki8 h VAL 40 Cb 1.22 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2ki8 h VAL 40 CO 0.62 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.76 2ki8 n GLU 41 N -4.36 0.22 0.20 1.57 1.02 -1.26 -1.36 120.64 116.67 2ki8 n GLU 41 Ca -0.01 0.32 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 2ki8 n GLU 41 Cb 0.20 -1.83 0.41 0.00 -0.02 0.00 0.00 31.44 30.19 2ki8 n GLU 41 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ki8 h GLU 42 N 0.00 0.00 0.00 3.49 4.39 -1.69 -3.38 114.58 117.39 2ki8 h GLU 42 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ki8 h GLU 42 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2ki8 h GLU 42 CO 0.00 0.34 -0.19 1.63 -1.16 0.00 0.00 179.01 179.63 2ki8 n LYS 43 N -3.92 0.10 -1.15 2.33 4.01 -0.94 -4.97 118.16 113.61 2ki8 n LYS 43 Ca -0.02 0.05 -0.08 0.00 -0.51 0.00 0.00 58.31 57.75 2ki8 n LYS 43 Cb 0.40 -0.69 -0.04 0.00 -0.51 0.00 0.00 35.03 34.20 2ki8 n LYS 43 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2ki8 n LEU 44 N -2.87 -0.17 -4.86 -0.35 4.77 -0.47 -4.95 117.00 108.11 2ki8 n LEU 44 Ca -0.03 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.84 2ki8 n LEU 44 Cb 0.10 -2.30 -0.01 0.00 -2.33 0.00 0.00 43.42 38.88 2ki8 n LEU 44 CO 0.04 -0.87 0.70 0.28 -1.33 0.00 0.00 177.39 176.22 2ki8 s THR 45 N -1.61 4.60 0.40 -5.08 -1.32 -1.26 -4.96 115.64 106.41 2ki8 s THR 45 Ca 0.00 1.01 0.09 0.00 -1.21 0.00 0.00 61.69 61.57 2ki8 s THR 45 Cb 0.00 -3.78 0.29 0.00 -1.51 0.00 0.00 72.50 67.50 2ki8 s THR 45 CO 0.00 -0.94 2.00 -0.08 -2.21 0.00 0.00 174.62 173.39 2ki8 h GLU 46 N 0.17 0.56 -1.00 7.08 4.57 -2.01 -1.18 114.58 122.78 2ki8 h GLU 46 Ca -0.45 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.71 2ki8 h GLU 46 Cb 1.19 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.60 2ki8 h GLU 46 CO 0.62 0.37 0.66 0.93 -1.18 0.00 0.00 179.01 180.41 2ki8 h GLU 47 N 0.58 1.29 -0.77 1.92 5.08 -1.99 -1.94 114.58 118.74 2ki8 h GLU 47 Ca 0.24 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2ki8 h GLU 47 Cb 0.23 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2ki8 h GLU 47 CO -0.07 0.85 0.35 -0.92 -1.00 0.00 0.00 179.01 178.22 2ki8 h TYR 48 N 1.33 1.12 0.16 4.33 5.03 -1.59 -1.46 116.97 125.89 2ki8 h TYR 48 Ca 0.38 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 2ki8 h TYR 48 Cb -0.11 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 37.82 2ki8 h TYR 48 CO -0.00 0.83 -0.08 0.35 -1.32 0.00 0.00 178.16 177.94 2ki8 h PHE 49 N 1.10 -0.20 -0.21 -3.82 3.04 -1.26 -2.62 116.94 112.98 2ki8 h PHE 49 Ca 0.26 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.27 2ki8 h PHE 49 Cb 0.15 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 2ki8 h PHE 49 CO 0.02 -0.12 0.29 -0.91 -2.02 0.00 0.00 178.31 175.56 2ki8 h ASN 50 N -0.25 0.00 0.29 0.41 2.35 -1.37 -1.80 115.58 115.21 2ki8 h ASN 50 Ca -0.02 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 2ki8 h ASN 50 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2ki8 h ASN 50 CO 0.04 0.00 -1.69 0.00 -1.65 0.00 0.00 177.43 174.12 2ki8 h ALA 51 N 1.61 0.24 -0.35 -0.83 0.00 -1.28 -3.38 119.26 115.26 2ki8 h ALA 51 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2ki8 h ALA 51 Cb 0.68 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ki8 h ALA 51 CO -0.00 1.11 0.00 1.33 0.00 0.00 0.00 179.25 181.69 2ki8 n VAL 52 N -3.51 0.80 -0.71 0.00 0.24 -0.93 -4.57 118.33 109.64 2ki8 n VAL 52 Ca -0.22 -0.90 0.07 0.00 -2.04 0.00 0.00 64.34 61.25 2ki8 n VAL 52 Cb 1.06 0.66 0.37 0.00 -1.47 0.00 0.00 33.84 34.46 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 0.78 5.26 -4.17 -1.34 5.03 -0.72 -4.63 115.26 115.47 2ki8 n ASN 53 Ca 0.13 -2.78 -0.11 0.00 0.87 0.00 0.00 54.58 52.69 2ki8 n ASN 53 Cb 0.45 -0.65 -0.10 0.00 -1.02 0.00 0.00 39.78 38.45 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 -2.49 0.89 -0.02 3.10 -0.85 -1.26 -0.39 117.35 116.34 2ki8 s TYR 54 Ca 0.50 -0.88 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 2ki8 s TYR 54 Cb 0.37 -0.51 -0.00 0.00 0.38 0.00 0.00 41.96 42.20 2ki8 s TYR 54 CO 0.17 -0.14 -0.12 0.00 -1.52 0.00 0.00 175.55 173.94 2ki8 s ALA 55 N -3.48 1.05 -0.32 9.51 0.00 -0.21 -4.39 121.76 123.92 2ki8 s ALA 55 Ca 0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 2ki8 s ALA 55 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2ki8 s ALA 55 CO -0.04 0.21 0.33 -1.21 0.00 0.00 0.00 175.76 175.05 2ki8 s GLU 56 N -0.05 3.70 0.17 0.00 2.02 0.13 -0.66 118.70 124.01 2ki8 s GLU 56 Ca 0.00 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 54.73 2ki8 s GLU 56 Cb -0.07 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 2ki8 s GLU 56 CO 0.00 -0.42 0.02 0.42 0.02 0.00 0.00 175.26 175.30 2ki8 s ILE 57 N 1.97 3.85 0.53 -1.63 1.09 0.47 -1.92 121.20 125.55 2ki8 s ILE 57 Ca 0.11 -1.36 -0.20 0.00 -1.10 0.00 0.00 60.65 58.10 2ki8 s ILE 57 Cb -0.16 -2.94 -0.06 0.00 -1.06 0.00 0.00 42.46 38.24 2ki8 s ILE 57 CO 0.11 -0.10 1.16 0.21 -0.10 0.00 0.00 174.94 176.22 2ki8 s ASN 58 N -2.95 5.74 0.19 3.58 3.84 -1.26 -1.33 114.94 122.75 2ki8 s ASN 58 Ca 0.28 2.28 -0.12 0.00 0.21 0.00 0.00 52.86 55.51 2ki8 s ASN 58 Cb -0.09 -2.59 0.22 0.00 -0.55 0.00 0.00 41.25 38.24 2ki8 s ASN 58 CO 0.19 -1.21 1.70 -0.08 -2.79 0.00 0.00 177.10 174.91 2ki8 h GLU 59 N 1.41 0.20 -0.67 0.43 4.57 -1.85 0.15 114.58 118.82 2ki8 h GLU 59 Ca -0.50 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2ki8 h GLU 59 Cb 1.27 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 2ki8 h GLU 59 CO 0.58 0.13 0.31 0.93 -1.18 0.00 0.00 179.01 179.78 2ki8 h GLU 60 N 0.21 0.97 -0.02 1.92 4.39 -1.97 -1.08 114.58 119.00 2ki8 h GLU 60 Ca 0.27 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 2ki8 h GLU 60 Cb 0.39 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2ki8 h GLU 60 CO -0.38 0.78 -0.56 -0.44 -1.16 0.00 0.00 179.01 177.26 2ki8 h ASP 61 N 0.93 0.05 0.22 1.42 3.32 -1.88 -2.47 116.42 118.02 2ki8 h ASP 61 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2ki8 h ASP 61 Cb 0.14 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2ki8 h ASP 61 CO -0.03 0.60 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.70 2ki8 h TRP 62 N 0.03 -0.37 -0.01 4.55 2.91 0.45 -1.73 115.95 121.79 2ki8 h TRP 62 Ca -0.00 -0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.89 2ki8 h TRP 62 Cb 1.00 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.76 2ki8 h TRP 62 CO 0.00 -0.22 -0.59 -2.95 -1.03 0.00 0.00 178.44 173.65 2ki8 h ASN 63 N -0.36 0.03 -0.64 2.65 7.08 -1.30 -1.09 115.58 121.96 2ki8 h ASN 63 Ca -0.02 -0.02 0.03 0.00 -3.08 0.00 0.00 56.30 53.21 2ki8 h ASN 63 Cb 0.30 -0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 36.49 2ki8 h ASN 63 CO 0.02 0.61 0.39 0.00 -2.08 0.00 0.00 177.43 176.37 2ki8 h ALA 64 N 1.39 0.83 -0.01 4.14 0.00 -1.19 -2.16 119.26 122.26 2ki8 h ALA 64 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ki8 h ALA 64 Cb 1.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ki8 h ALA 64 CO 0.08 0.14 -0.23 1.28 0.00 0.00 0.00 179.25 180.52 2ki8 n LEU 65 N -4.72 0.93 -3.33 0.00 4.77 -0.67 -4.97 117.00 109.01 2ki8 n LEU 65 Ca 0.06 -0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 2ki8 n LEU 65 Cb 0.09 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2ki8 n LEU 65 CO 0.33 0.17 0.10 0.61 -1.33 0.00 0.00 177.39 177.27 2ki8 n GLY 66 N 1.33 -0.37 3.93 -0.72 0.00 -0.73 -4.79 105.19 103.84 2ki8 n GLY 66 Ca 0.13 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.16 3.46 -0.18 0.99 1.43 -0.49 -5.03 118.68 112.70 2ki8 s LEU 67 Ca 0.02 0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2ki8 s LEU 67 Cb -0.00 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.87 2ki8 s LEU 67 CO 0.70 -0.84 0.37 -1.58 0.23 0.00 0.00 176.35 175.23 2ki8 s GLN 68 N -4.77 0.27 -0.71 1.70 0.74 -1.26 -4.87 119.66 110.76 2ki8 s GLN 68 Ca 0.51 0.89 -0.38 0.00 0.05 0.00 0.00 55.36 56.42 2ki8 s GLN 68 Cb -0.10 0.12 -0.20 0.00 1.10 0.00 0.00 33.01 33.93 2ki8 s GLN 68 CO 0.42 -0.31 2.38 0.39 -0.55 0.00 0.00 175.29 177.62 2ki8 n GLU 69 N 5.38 0.02 0.00 1.67 4.71 -1.26 -0.72 120.64 130.43 2ki8 n GLU 69 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 2ki8 n GLU 69 Cb 0.50 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2ki8 n GLU 69 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ki8 n GLY 70 N 7.06 1.53 3.93 0.62 0.00 -0.49 -5.00 105.19 112.85 2ki8 n GLY 70 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ki8 s ASP 71 N -1.93 3.44 -0.19 1.61 -4.77 0.10 -4.68 116.67 110.25 2ki8 s ASP 71 Ca 0.00 0.33 -0.12 0.00 -3.30 0.00 0.00 52.55 49.46 2ki8 s ASP 71 Cb 0.00 -0.48 -0.05 0.00 -1.09 0.00 0.00 42.92 41.30 2ki8 s ASP 71 CO 0.00 -2.53 0.21 -0.13 0.70 0.00 0.00 175.17 173.42 2ki8 s ARG 72 N -5.79 4.19 -0.06 2.11 3.00 -1.26 -0.91 118.95 120.23 2ki8 s ARG 72 Ca 0.71 -0.09 0.06 0.00 0.00 0.00 0.00 55.73 56.41 2ki8 s ARG 72 Cb -0.05 -3.45 -0.01 0.00 0.00 0.00 0.00 34.95 31.43 2ki8 s ARG 72 CO 0.52 0.21 -0.24 0.14 0.00 0.00 0.00 175.30 175.92 2ki8 s VAL 73 N 0.61 2.15 -0.17 3.52 -7.23 -0.40 -2.69 120.40 116.19 2ki8 s VAL 73 Ca 0.12 -1.03 -0.21 0.00 -1.81 0.00 0.00 61.98 59.04 2ki8 s VAL 73 Cb -0.12 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2ki8 s VAL 73 CO 0.02 0.57 0.63 -0.75 -0.31 0.00 0.00 175.10 175.26 2ki8 s LYS 74 N -0.19 4.27 -0.19 4.82 2.47 0.12 -1.95 119.74 129.09 2ki8 s LYS 74 Ca -0.03 0.66 -0.04 0.00 -1.56 0.00 0.00 55.97 55.00 2ki8 s LYS 74 Cb -0.14 -3.54 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 2ki8 s LYS 74 CO 0.03 -0.15 -0.02 0.08 0.16 0.00 0.00 175.35 175.46 2ki8 s VAL 75 N 1.58 3.79 -0.04 4.02 1.01 0.03 -0.82 120.40 129.97 2ki8 s VAL 75 Ca 0.30 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2ki8 s VAL 75 Cb -0.16 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2ki8 s VAL 75 CO 0.12 0.45 -0.08 -0.54 0.00 0.00 0.00 175.10 175.04 2ki8 s LYS 76 N 0.90 1.04 0.02 2.72 1.02 -0.27 -1.37 119.74 123.81 2ki8 s LYS 76 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2ki8 s LYS 76 Cb -0.14 -0.95 -0.00 0.00 -0.52 0.00 0.00 37.83 36.21 2ki8 s LYS 76 CO 0.02 0.03 0.01 0.25 -0.92 0.00 0.00 175.35 174.74 2ki8 n THR 77 N 3.62 0.00 1.16 2.17 -2.24 -0.22 0.44 114.28 119.21 2ki8 n THR 77 Ca -0.21 -0.14 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2ki8 n THR 77 Cb 0.53 0.06 0.63 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.05 0.31 -0.13 -0.78 0.28 -1.26 -3.79 120.64 115.22 2ki8 n GLU 78 Ca 0.00 0.05 -0.24 0.00 -0.16 0.00 0.00 57.16 56.81 2ki8 n GLU 78 Cb 0.04 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.30 2ki8 n GLU 78 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ki8 n PHE 79 N -1.32 0.02 -2.15 -1.84 3.72 -1.26 -5.12 117.46 109.51 2ki8 n PHE 79 Ca 0.11 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2ki8 n PHE 79 Cb 0.22 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 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 1.74 1.11 3.30 1.37 0.00 -1.17 -4.93 105.19 106.61 2ki8 n GLY 80 Ca -0.50 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 1.76 0.82 0.03 1.61 -1.05 -1.06 -1.06 118.70 119.76 2ki8 s GLU 81 Ca 0.00 -0.23 -0.17 0.00 -0.15 0.00 0.00 54.97 54.42 2ki8 s GLU 81 Cb 0.00 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2ki8 s GLU 81 CO 0.00 -0.25 0.39 0.54 0.95 0.00 0.00 175.26 176.89 2ki8 s VAL 82 N -1.83 0.06 -0.23 1.83 0.11 -0.47 -4.81 120.40 115.06 2ki8 s VAL 82 Ca -0.10 -0.48 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 2ki8 s VAL 82 Cb -0.03 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2ki8 s VAL 82 CO 0.02 -0.27 0.02 -0.69 -3.33 0.00 0.00 175.10 170.85 2ki8 s VAL 83 N -2.27 3.88 0.33 2.04 1.01 -1.26 -0.79 120.40 123.34 2ki8 s VAL 83 Ca -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2ki8 s VAL 83 Cb -0.01 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2ki8 s VAL 83 CO -0.01 0.38 0.09 0.68 0.00 0.00 0.00 175.10 176.24 2ki8 s VAL 84 N 1.50 0.85 0.19 2.92 -7.23 -0.82 -2.21 120.40 115.60 2ki8 s VAL 84 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 2ki8 s VAL 84 Cb -0.15 -2.62 -0.08 0.00 0.56 0.00 0.00 36.38 34.09 2ki8 s VAL 84 CO 0.01 0.00 1.07 -0.36 -0.31 0.00 0.00 175.10 175.50 2ki8 s PHE 85 N -3.38 3.66 -0.11 2.82 0.08 0.48 -1.28 117.98 120.25 2ki8 s PHE 85 Ca 0.33 1.68 -0.23 0.00 0.12 0.00 0.00 56.93 58.83 2ki8 s PHE 85 Cb 0.07 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 2ki8 s PHE 85 CO 0.15 -0.38 0.69 0.00 -0.10 0.00 0.00 175.22 175.58 2ki8 s ALA 86 N -0.48 3.41 0.06 5.36 0.00 -0.09 -1.05 121.76 128.97 2ki8 s ALA 86 Ca 0.47 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2ki8 s ALA 86 Cb -0.29 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2ki8 s ALA 86 CO 0.35 -0.26 -0.17 0.15 0.00 0.00 0.00 175.76 175.83 2ki8 s LYS 87 N 1.19 1.08 -0.11 0.00 1.02 0.17 -1.39 119.74 121.70 2ki8 s LYS 87 Ca 0.35 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 2ki8 s LYS 87 Cb -0.17 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 2ki8 s LYS 87 CO 0.15 0.28 0.80 0.21 -0.92 0.00 0.00 175.35 175.87 2ki8 s LYS 88 N -1.38 4.39 0.31 1.68 2.20 -1.26 -0.39 119.74 125.28 2ki8 s LYS 88 Ca 0.04 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2ki8 s LYS 88 Cb -0.09 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2ki8 s LYS 88 CO 0.02 -0.14 0.03 0.41 -0.36 0.00 0.00 175.35 175.31 2ki8 n GLY 89 N 3.25 3.71 0.86 5.54 0.00 -0.44 -4.80 105.19 113.31 2ki8 n GLY 89 Ca 0.02 -2.30 0.08 0.00 0.00 0.00 0.00 46.02 43.82 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ki8 n ASP 90 N -1.27 2.51 -4.80 1.61 2.03 -1.26 -4.69 116.55 110.68 2ki8 n ASP 90 Ca -0.11 -1.98 -0.34 0.00 0.52 0.00 0.00 54.79 52.88 2ki8 n ASP 90 Cb 0.39 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ki8 s VAL 91 N -1.40 3.85 0.93 5.18 -7.23 -1.26 -5.06 120.40 115.40 2ki8 s VAL 91 Ca 0.32 1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 61.43 2ki8 s VAL 91 Cb 0.17 -3.45 0.15 0.00 0.56 0.00 0.00 36.38 33.81 2ki8 s VAL 91 CO 0.22 -0.34 1.09 -2.84 -0.31 0.00 0.00 175.10 172.93 2ki8 s PRO 92 N -3.50 0.98 0.51 4.82 0.02 -1.26 -4.37 135.00 132.20 2ki8 s PRO 92 Ca 0.66 0.77 -0.22 0.00 0.02 0.00 0.00 61.00 62.22 2ki8 s PRO 92 Cb -0.16 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 2ki8 s PRO 92 CO 0.25 -2.42 1.23 0.21 -0.33 0.00 0.00 177.00 175.94 2ki8 s LYS 93 N -4.92 3.43 -1.47 5.54 2.20 -1.26 -2.59 119.74 120.67 2ki8 s LYS 93 Ca 0.64 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2ki8 s LYS 93 Cb -0.18 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2ki8 s LYS 93 CO 0.57 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 2ki8 n GLY 94 N 0.53 0.27 3.32 5.54 0.00 -1.26 -5.01 105.19 108.58 2ki8 n GLY 94 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.38 0.47 0.00 1.61 0.00 -1.07 -1.90 119.30 114.05 2ki8 s MET 95 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 55.69 56.39 2ki8 s MET 95 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 34.83 34.98 2ki8 s MET 95 CO 0.00 -0.10 -0.05 0.96 0.00 0.00 0.00 175.02 175.83 2ki8 s ILE 96 N 0.66 0.38 -0.18 10.11 -4.36 0.09 -4.19 121.20 123.71 2ki8 s ILE 96 Ca -0.03 -0.33 -0.08 0.00 -0.26 0.00 0.00 60.65 59.94 2ki8 s ILE 96 Cb -0.05 -0.34 -0.04 0.00 1.25 0.00 0.00 42.46 43.27 2ki8 s ILE 96 CO -0.04 0.02 0.10 0.12 0.24 0.00 0.00 174.94 175.38 2ki8 s PHE 97 N -0.31 3.38 -0.03 1.37 5.36 -0.81 -1.12 117.98 125.82 2ki8 s PHE 97 Ca -0.00 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2ki8 s PHE 97 Cb -0.03 -2.08 -0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2ki8 s PHE 97 CO -0.00 0.33 -0.15 0.42 -1.46 0.00 0.00 175.22 174.36 2ki8 s ILE 98 N 0.07 1.23 0.19 3.12 1.01 -0.19 -0.69 121.20 125.94 2ki8 s ILE 98 Ca 0.08 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 2ki8 s ILE 98 Cb -0.12 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 2ki8 s ILE 98 CO -0.00 0.36 1.50 -2.16 0.00 0.00 0.00 174.94 174.64 2ki8 s PRO 99 N -0.03 4.25 -0.49 2.79 0.04 -1.26 -2.17 135.00 138.12 2ki8 s PRO 99 Ca -0.01 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2ki8 s PRO 99 Cb -0.09 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 2ki8 s PRO 99 CO 0.01 -0.52 2.38 -0.12 0.04 0.00 0.00 177.00 178.79 2ki8 n MET 100 N 3.38 1.04 -2.65 4.56 1.56 0.07 -4.58 117.12 120.49 2ki8 n MET 100 Ca 0.11 0.15 -0.06 0.00 -0.27 0.00 0.00 57.70 57.63 2ki8 n MET 100 Cb 0.40 -2.88 0.01 0.00 2.15 0.00 0.00 33.22 32.89 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 6.18 1.72 0.35 -5.12 0.00 -1.26 -4.37 105.19 102.69 2ki8 n GLY 101 Ca 0.41 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 0.56 0.28 1.61 0.13 -1.90 0.15 132.00 132.84 2ki8 h PRO 102 Ca -0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2ki8 h PRO 102 Cb 0.69 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2ki8 h PRO 102 CO 0.23 0.37 -0.14 1.88 -0.23 0.00 0.00 178.00 180.11 2ki8 h TYR 103 N 0.57 -0.35 -0.88 1.56 -1.99 -1.92 -2.94 116.97 111.03 2ki8 h TYR 103 Ca 0.29 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.06 2ki8 h TYR 103 Cb 0.38 0.12 -0.05 0.00 2.00 0.00 0.00 36.73 39.18 2ki8 h TYR 103 CO -0.00 -0.07 0.58 0.00 -0.00 0.00 0.00 178.16 178.67 2ki8 h ALA 104 N 0.02 1.48 -0.11 3.88 0.00 -1.68 -1.75 119.26 121.10 2ki8 h ALA 104 Ca -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ki8 h ALA 104 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ki8 h ALA 104 CO 0.06 0.42 0.27 -0.97 0.00 0.00 0.00 179.25 179.03 2ki8 h ASN 105 N 1.06 0.00 1.42 0.00 -1.24 -0.55 0.30 115.58 116.58 2ki8 h ASN 105 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 2ki8 h ASN 105 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2ki8 h ASN 105 CO -0.12 0.00 0.00 0.24 -1.29 0.00 0.00 177.43 176.26 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.16 -3.36 114.93 119.93 2ki8 h MET 106 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ki8 h MET 106 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2ki8 h MET 106 CO -0.00 0.00 -0.45 1.33 1.06 0.00 0.00 176.91 178.85 2ki8 n VAL 107 N -2.33 0.00 -2.85 -2.22 0.24 0.09 -2.55 118.33 108.72 2ki8 n VAL 107 Ca 0.05 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 2ki8 n VAL 107 Cb 0.41 0.39 0.07 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.99 2.30 -0.36 1.34 -4.36 0.82 -4.50 121.20 115.46 2ki8 s ILE 108 Ca 0.00 -0.84 -0.12 0.00 -0.26 0.00 0.00 60.65 59.43 2ki8 s ILE 108 Cb 0.00 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2ki8 s ILE 108 CO 0.00 0.00 0.22 -0.62 0.24 0.00 0.00 174.94 174.78 2ki8 s ASP 109 N -4.62 5.86 0.00 4.36 2.15 -1.26 -4.87 116.67 118.29 2ki8 s ASP 109 Ca 0.62 -0.70 0.31 0.00 0.43 0.00 0.00 52.55 53.21 2ki8 s ASP 109 Cb -0.07 -2.08 1.79 0.00 -0.30 0.00 0.00 42.92 42.26 2ki8 s ASP 109 CO 0.40 -0.31 2.15 -0.81 -0.17 0.00 0.00 175.17 176.43 2ki8 n PRO 110 N 5.06 0.87 -0.95 4.34 -0.04 -1.26 -4.35 135.00 138.67 2ki8 n PRO 110 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2ki8 n PRO 110 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.05 5.16 -4.34 3.54 7.64 -1.26 -4.85 113.62 118.46 2ki8 n SER 111 Ca 0.22 -2.41 -0.46 0.00 1.01 0.00 0.00 58.87 57.22 2ki8 n SER 111 Cb 0.13 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 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 1.29 5.28 -0.10 0.44 -4.23 -1.26 -5.04 115.64 112.02 2ki8 s THR 112 Ca 0.62 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 2ki8 s THR 112 Cb 0.28 -4.45 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 2ki8 s THR 112 CO -0.01 -1.03 0.20 -1.81 -0.54 0.00 0.00 174.62 171.44 2ki8 s ASP 113 N 3.00 6.46 0.00 3.99 1.11 -1.26 -5.04 116.67 124.94 2ki8 s ASP 113 Ca 0.13 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.41 2ki8 s ASP 113 Cb -0.19 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 41.69 2ki8 s ASP 113 CO -0.02 0.36 0.00 0.61 1.18 0.00 0.00 175.17 177.29 2ki8 n GLY 114 N 2.14 4.36 0.20 0.21 0.00 -1.26 -4.95 105.19 105.89 2ki8 n GLY 114 Ca -0.18 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.48 2ki8 n GLY 114 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ki8 h THR 115 N 1.54 0.00 -3.40 2.61 1.35 -2.08 -3.45 112.91 109.49 2ki8 h THR 115 Ca 0.00 -0.71 -0.20 0.00 -0.55 0.00 0.00 66.41 64.95 2ki8 h THR 115 Cb 0.00 1.68 -0.28 0.00 -1.73 0.00 0.00 68.15 67.83 2ki8 h THR 115 CO 0.00 0.00 -0.58 -0.83 -0.25 0.00 0.00 175.52 173.86 2ki8 s GLY 116 N -4.02 -0.08 0.34 5.82 0.00 -1.26 -5.16 107.32 102.95 2ki8 s GLY 116 Ca 0.06 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 45.13 2ki8 s GLY 116 CO 0.60 0.42 0.63 1.06 0.00 0.00 0.00 173.10 175.80 2ki8 s MET 117 N 0.25 3.64 -0.34 2.90 1.00 -1.26 -5.02 119.30 120.47 2ki8 s MET 117 Ca -0.01 0.10 -0.28 0.00 0.00 0.00 0.00 55.69 55.50 2ki8 s MET 117 Cb -0.03 -2.56 -0.04 0.00 0.00 0.00 0.00 34.83 32.21 2ki8 s MET 117 CO -0.01 0.11 2.04 -1.25 0.00 0.00 0.00 175.02 175.91 2ki8 s PRO 118 N -3.81 3.03 0.17 2.03 0.04 -1.26 -4.86 135.00 130.34 2ki8 s PRO 118 Ca 0.46 1.57 0.17 0.00 0.04 0.00 0.00 61.00 63.24 2ki8 s PRO 118 Cb -0.10 -4.33 0.78 0.00 0.04 0.00 0.00 34.50 30.89 2ki8 s PRO 118 CO 0.32 -2.22 1.53 0.94 0.04 0.00 0.00 177.00 177.61 2ki8 n GLN 119 N 8.70 0.11 -0.41 4.56 7.27 -1.26 -3.04 117.38 133.30 2ki8 n GLN 119 Ca 0.27 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.79 2ki8 n GLN 119 Cb 0.48 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.38 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 2ki8 n PHE 120 N -1.96 0.00 -4.09 3.69 -1.74 -1.26 -5.02 117.46 107.09 2ki8 n PHE 120 Ca 0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 2ki8 n PHE 120 Cb 0.13 0.03 -0.11 0.00 1.52 0.00 0.00 39.48 41.06 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2ki8 s LYS 121 N 0.00 0.60 0.00 3.97 1.02 -1.17 -5.08 119.74 119.08 2ki8 s LYS 121 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2ki8 s LYS 121 Cb 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 2ki8 s LYS 121 CO 0.00 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 2ki8 n GLY 122 N 0.67 4.27 3.65 -3.33 0.00 -1.26 -4.61 105.19 104.58 2ki8 n GLY 122 Ca -0.17 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.32 5.13 0.52 1.61 1.01 0.13 -4.81 120.40 123.67 2ki8 s VAL 123 Ca 0.00 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2ki8 s VAL 123 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2ki8 s VAL 123 CO 0.00 0.18 1.08 -0.54 0.00 0.00 0.00 175.10 175.82 2ki8 s LYS 124 N 1.68 3.56 0.00 2.72 1.02 -1.26 0.89 119.74 128.35 2ki8 s LYS 124 Ca 0.22 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2ki8 s LYS 124 Cb -0.15 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2ki8 s LYS 124 CO 0.09 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 2ki8 n GLY 125 N -0.16 1.29 3.19 -3.33 0.00 0.13 -4.61 105.19 101.70 2ki8 n GLY 125 Ca 0.10 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.69 0.12 -0.01 2.61 -4.23 0.17 -1.06 115.64 113.94 2ki8 s THR 126 Ca 0.00 -1.66 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2ki8 s THR 126 Cb 0.00 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 72.04 2ki8 s THR 126 CO 0.00 -0.55 0.07 0.54 -0.54 0.00 0.00 174.62 174.14 2ki8 s VAL 127 N -3.98 0.05 0.01 2.29 0.11 0.14 -1.11 120.40 117.91 2ki8 s VAL 127 Ca 0.16 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 2ki8 s VAL 127 Cb 0.06 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2ki8 s VAL 127 CO -0.03 -0.23 0.39 -1.83 -3.33 0.00 0.00 175.10 170.07 2ki8 s GLU 128 N -0.74 0.82 0.31 1.54 -1.05 -0.00 -1.53 118.70 118.06 2ki8 s GLU 128 Ca -0.08 -0.24 -0.29 0.00 -0.15 0.00 0.00 54.97 54.20 2ki8 s GLU 128 Cb -0.05 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 33.90 2ki8 s GLU 128 CO 0.00 -0.26 1.48 0.21 0.95 0.00 0.00 175.26 177.64 2ki8 s LYS 129 N -1.88 4.19 0.07 -4.83 2.47 -1.26 0.13 119.74 118.63 2ki8 s LYS 129 Ca -0.09 2.45 0.03 0.00 -1.56 0.00 0.00 55.97 56.80 2ki8 s LYS 129 Cb -0.02 -3.04 -0.03 0.00 -1.46 0.00 0.00 37.83 33.28 2ki8 s LYS 129 CO 0.02 -0.48 -0.09 -0.08 0.16 0.00 0.00 175.35 174.88 2ki8 s THR 130 N -0.51 0.73 -2.32 3.43 -1.32 -1.09 -4.74 115.64 109.81 2ki8 s THR 130 Ca 0.57 -1.41 0.23 0.00 -1.21 0.00 0.00 61.69 59.87 2ki8 s THR 130 Cb -0.45 -1.05 0.50 0.00 -1.51 0.00 0.00 72.50 69.99 2ki8 s THR 130 CO 0.52 -0.51 1.45 -0.67 -2.21 0.00 0.00 174.62 173.21 2ki8 n ASP 131 N 0.93 3.53 -3.18 8.08 2.03 -1.26 -4.58 116.55 122.10 2ki8 n ASP 131 Ca -0.19 -1.99 -0.18 0.00 0.52 0.00 0.00 54.79 52.96 2ki8 n ASP 131 Cb 0.57 -0.32 0.12 0.00 -0.72 0.00 0.00 41.12 40.77 2ki8 n ASP 131 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ki8 n GLU 132 N 1.50 -0.75 -3.98 -0.67 -0.58 -1.26 -5.09 120.64 109.81 2ki8 n GLU 132 Ca 0.21 -1.27 -0.27 0.00 -0.42 0.00 0.00 57.16 55.41 2ki8 n GLU 132 Cb 0.60 -0.81 -0.04 0.00 -0.57 0.00 0.00 31.44 30.62 2ki8 n GLU 132 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2ki8 s LYS 133 N -4.74 3.29 0.02 3.49 -2.85 -1.26 -4.83 119.74 112.87 2ki8 s LYS 133 Ca 0.46 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.48 2ki8 s LYS 133 Cb -0.01 -2.89 -0.08 0.00 -2.06 0.00 0.00 37.83 32.79 2ki8 s LYS 133 CO 0.32 0.53 1.73 0.08 0.10 0.00 0.00 175.35 178.10 2ki8 s VAL 134 N -1.69 3.20 -0.79 1.79 1.01 -1.26 -4.76 120.40 117.90 2ki8 s VAL 134 Ca 0.33 0.45 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 2ki8 s VAL 134 Cb -0.11 -3.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 2ki8 s VAL 134 CO 0.27 -0.02 2.30 -0.76 0.00 0.00 0.00 175.10 176.89 2ki8 s LEU 135 N 3.51 2.97 0.48 3.92 1.43 -0.94 -4.90 118.68 125.15 2ki8 s LEU 135 Ca 0.77 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 2ki8 s LEU 135 Cb -0.38 -2.55 -0.12 0.00 0.03 0.00 0.00 46.19 43.17 2ki8 s LEU 135 CO 0.33 -3.54 0.43 -1.20 0.23 0.00 0.00 176.35 172.60 2ki8 n SER 136 N 17.37 -1.40 -0.21 2.29 7.64 -1.26 -4.34 113.62 133.72 2ki8 n SER 136 Ca 0.44 0.82 -0.04 0.00 1.01 0.00 0.00 58.87 61.09 2ki8 n SER 136 Cb 0.45 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.50 0.18 -0.20 0.44 2.07 -1.99 0.40 116.25 117.65 2ki8 h VAL 137 Ca -0.42 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 2ki8 h VAL 137 Cb 1.41 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2ki8 h VAL 137 CO 0.49 0.00 -0.67 0.50 0.02 0.00 0.00 177.57 177.90 2ki8 h LYS 138 N -0.14 0.76 -0.90 1.57 1.63 -2.00 -2.63 116.57 114.87 2ki8 h LYS 138 Ca 0.25 -0.56 0.10 0.00 -0.85 0.00 0.00 60.65 59.59 2ki8 h LYS 138 Cb 0.55 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.21 2ki8 h LYS 138 CO -0.69 1.18 0.58 1.49 -3.45 0.00 0.00 179.45 178.56 2ki8 h GLU 139 N 0.55 0.86 -0.76 1.90 4.57 -1.40 0.15 114.58 120.45 2ki8 h GLU 139 Ca -0.02 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2ki8 h GLU 139 Cb 1.28 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2ki8 h GLU 139 CO 0.14 0.57 0.26 1.25 -1.18 0.00 0.00 179.01 180.05 2ki8 h LEU 140 N 0.88 1.09 -0.69 1.64 6.46 -0.20 -0.67 115.31 123.82 2ki8 h LEU 140 Ca 0.42 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2ki8 h LEU 140 Cb 0.43 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2ki8 h LEU 140 CO -0.19 0.99 0.38 -0.07 -0.62 0.00 0.00 178.44 178.94 2ki8 h LEU 141 N 1.12 0.86 -0.37 2.25 3.38 -0.44 -1.69 115.31 120.42 2ki8 h LEU 141 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ki8 h LEU 141 Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2ki8 h LEU 141 CO -0.01 0.71 0.25 -0.33 0.09 0.00 0.00 178.44 179.14 2ki8 h GLU 142 N 0.95 0.49 -0.69 1.13 4.39 -0.54 0.33 114.58 120.64 2ki8 h GLU 142 Ca 0.24 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.96 2ki8 h GLU 142 Cb 0.03 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 2ki8 h GLU 142 CO -0.04 0.33 0.41 0.00 -1.16 0.00 0.00 179.01 178.55 2ki8 h ALA 143 N 1.14 0.92 0.00 3.43 0.00 -0.74 -2.25 119.26 121.75 2ki8 h ALA 143 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ki8 h ALA 143 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2ki8 h ALA 143 CO -0.03 0.13 -0.08 -0.84 0.00 0.00 0.00 179.25 178.44 2ki8 h ILE 144 N 0.77 0.15 0.00 0.00 -0.00 -1.16 -3.47 117.51 113.81 2ki8 h ILE 144 Ca 0.29 -1.01 0.00 0.00 -0.00 0.00 0.00 64.86 64.15 2ki8 h ILE 144 Cb 0.11 1.89 0.00 0.00 -0.00 0.00 0.00 36.82 38.82 2ki8 h ILE 144 CO -0.15 0.07 0.00 0.61 -0.00 0.00 0.00 178.15 178.69 2ki8 n GLY 145 N 0.73 0.66 0.00 0.16 0.00 -0.61 -5.11 105.19 101.03 2ki8 n GLY 145 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06