#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 -2.90 3.55 3.03 0.00 -1.26 -5.12 105.19 102.49 2ki8 n GLY 2 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.25 -0.81 -0.28 1.61 1.04 -1.26 -5.17 113.70 108.59 2ki8 s SER 3 Ca 0.00 1.35 -0.18 0.00 0.48 0.00 0.00 55.95 57.59 2ki8 s SER 3 Cb 0.00 1.25 0.09 0.00 0.10 0.00 0.00 66.02 67.46 2ki8 s SER 3 CO 0.00 -0.23 0.77 -0.94 0.98 0.00 0.00 173.24 173.82 2ki8 s SER 4 N 1.36 -0.80 0.17 7.02 1.04 -1.26 -5.18 113.70 116.05 2ki8 s SER 4 Ca -0.08 1.34 -0.23 0.00 0.48 0.00 0.00 55.95 57.46 2ki8 s SER 4 Cb -0.06 1.34 0.08 0.00 0.10 0.00 0.00 66.02 67.48 2ki8 s SER 4 CO -0.15 -0.22 1.03 -1.38 0.98 0.00 0.00 173.24 173.51 2ki8 s HIS 5 N 1.25 0.04 -0.03 5.02 -0.00 -1.26 -5.17 115.29 115.14 2ki8 s HIS 5 Ca -0.07 -0.41 0.07 0.00 -0.00 0.00 0.00 55.06 54.65 2ki8 s HIS 5 Cb -0.05 0.69 -0.02 0.00 -0.00 0.00 0.00 32.58 33.20 2ki8 s HIS 5 CO -0.14 -0.89 -0.25 -1.01 -0.00 0.00 0.00 174.74 172.45 2ki8 s HIS 6 N -2.36 2.37 -0.12 0.38 4.02 -1.26 -5.13 115.29 113.19 2ki8 s HIS 6 Ca 0.20 -0.52 0.02 0.00 1.02 0.00 0.00 55.06 55.78 2ki8 s HIS 6 Cb -0.02 -1.53 0.01 0.00 -1.02 0.00 0.00 32.58 30.02 2ki8 s HIS 6 CO 0.04 -0.09 -0.18 -1.58 1.02 0.00 0.00 174.74 173.96 2ki8 s HIS 7 N -0.48 2.24 0.38 1.40 2.46 -1.26 -5.14 115.29 114.89 2ki8 s HIS 7 Ca 0.06 -1.07 -0.04 0.00 0.47 0.00 0.00 55.06 54.48 2ki8 s HIS 7 Cb -0.11 -1.57 -0.04 0.00 -0.13 0.00 0.00 32.58 30.73 2ki8 s HIS 7 CO 0.00 -0.52 0.65 -1.01 -2.47 0.00 0.00 174.74 171.39 2ki8 s HIS 8 N 0.89 3.51 -0.53 3.88 4.02 -1.26 -5.07 115.29 120.73 2ki8 s HIS 8 Ca -0.08 0.63 0.04 0.00 1.02 0.00 0.00 55.06 56.68 2ki8 s HIS 8 Cb -0.15 -2.13 0.14 0.00 -1.02 0.00 0.00 32.58 29.42 2ki8 s HIS 8 CO -0.01 -0.02 0.30 -1.58 1.02 0.00 0.00 174.74 174.45 2ki8 s HIS 9 N -2.41 2.84 -0.11 1.40 5.65 -1.26 -5.10 115.29 116.30 2ki8 s HIS 9 Ca 0.44 -2.97 0.00 0.00 0.25 0.00 0.00 55.06 52.79 2ki8 s HIS 9 Cb -0.10 -2.47 -0.02 0.00 -1.18 0.00 0.00 32.58 28.81 2ki8 s HIS 9 CO 0.37 -0.72 -0.12 -1.58 -0.65 0.00 0.00 174.74 172.04 2ki8 s HIS 10 N -0.32 2.82 0.20 3.88 5.65 -1.26 -5.11 115.29 121.14 2ki8 s HIS 10 Ca 0.19 -0.46 0.03 0.00 0.25 0.00 0.00 55.06 55.08 2ki8 s HIS 10 Cb -0.20 -1.80 -0.01 0.00 -1.18 0.00 0.00 32.58 29.38 2ki8 s HIS 10 CO -0.04 -0.07 0.12 0.43 -0.65 0.00 0.00 174.74 174.53 2ki8 n SER 11 N 3.18 0.30 -3.74 9.88 7.64 -1.26 -5.18 113.62 124.44 2ki8 n SER 11 Ca -0.18 -2.19 -0.13 0.00 1.01 0.00 0.00 58.87 57.39 2ki8 n SER 11 Cb 0.53 0.75 -0.13 0.00 -1.01 0.00 0.00 64.21 64.34 2ki8 n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ki8 s SER 12 N -2.31 -0.22 -0.54 6.43 0.15 -1.26 -5.11 113.70 110.84 2ki8 s SER 12 Ca 0.17 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 57.02 2ki8 s SER 12 Cb 0.01 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2ki8 s SER 12 CO 0.12 -0.16 0.99 -0.83 1.20 0.00 0.00 173.24 174.57 2ki8 s GLY 13 N 1.20 1.36 -0.04 9.45 0.00 -1.26 -5.03 107.32 113.00 2ki8 s GLY 13 Ca -0.09 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.64 2ki8 s GLY 13 CO -0.08 2.15 -0.25 0.50 0.00 0.00 0.00 173.10 175.42 2ki8 s ARG 14 N 4.13 2.34 0.29 2.90 1.81 -1.26 -5.13 118.95 124.04 2ki8 s ARG 14 Ca 0.34 -0.91 -0.25 0.00 -1.72 0.00 0.00 55.73 53.19 2ki8 s ARG 14 Cb -0.11 -2.09 -0.09 0.00 -0.45 0.00 0.00 34.95 32.21 2ki8 s ARG 14 CO 0.22 0.45 0.91 -2.00 -0.68 0.00 0.00 175.30 174.20 2ki8 s GLU 15 N -0.35 4.56 -0.27 3.54 2.56 -1.26 -5.07 118.70 122.41 2ki8 s GLU 15 Ca 0.02 1.27 -0.10 0.00 0.00 0.00 0.00 54.97 56.17 2ki8 s GLU 15 Cb -0.12 -2.87 0.11 0.00 2.00 0.00 0.00 34.13 33.25 2ki8 s GLU 15 CO 0.02 0.33 0.58 1.21 -0.56 0.00 0.00 175.26 176.84 2ki8 s ASN 16 N -1.56 -0.87 -0.13 -1.70 3.84 -1.26 -5.16 114.94 108.10 2ki8 s ASN 16 Ca 0.48 1.40 -0.04 0.00 0.21 0.00 0.00 52.86 54.90 2ki8 s ASN 16 Cb -0.19 1.93 -0.03 0.00 -0.55 0.00 0.00 41.25 42.41 2ki8 s ASN 16 CO 0.24 -0.22 0.02 -0.76 -2.79 0.00 0.00 177.10 173.59 2ki8 s LEU 17 N 2.68 3.66 -0.05 3.21 1.02 -1.26 -5.12 118.68 122.83 2ki8 s LEU 17 Ca -0.05 0.11 0.04 0.00 0.02 0.00 0.00 54.13 54.25 2ki8 s LEU 17 Cb -0.11 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2ki8 s LEU 17 CO -0.17 0.29 -0.15 -0.72 0.02 0.00 0.00 176.35 175.62 2ki8 s TYR 18 N -0.34 2.68 -0.24 0.29 1.13 -1.26 -5.05 117.35 114.56 2ki8 s TYR 18 Ca 0.08 -0.17 -0.16 0.00 -1.41 0.00 0.00 57.07 55.41 2ki8 s TYR 18 Cb -0.12 -1.62 -0.10 0.00 -1.10 0.00 0.00 41.96 39.01 2ki8 s TYR 18 CO 0.02 0.18 -0.30 1.19 -2.51 0.00 0.00 175.55 174.13 2ki8 n PHE 19 N 2.31 0.13 -2.83 -3.49 3.72 -1.26 -5.08 117.46 110.97 2ki8 n PHE 19 Ca -0.17 0.06 -0.04 0.00 -0.05 0.00 0.00 57.45 57.25 2ki8 n PHE 19 Cb 0.52 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 2ki8 n PHE 19 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2ki8 n GLN 20 N -4.35 -2.87 0.00 -1.08 7.27 -1.26 -5.05 117.38 110.04 2ki8 n GLN 20 Ca -0.38 2.39 0.00 0.00 0.07 0.00 0.00 57.00 59.08 2ki8 n GLN 20 Cb 0.73 -4.92 0.00 0.00 2.41 0.00 0.00 30.24 28.46 2ki8 n GLN 20 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ki8 n GLY 21 N 0.48 0.98 3.10 1.69 0.00 -1.26 -5.13 105.19 105.05 2ki8 n GLY 21 Ca 0.03 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 2ki8 n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ki8 s HIS 22 N 1.30 -0.83 0.39 1.61 -3.43 -1.26 -5.15 115.29 107.91 2ki8 s HIS 22 Ca 0.00 1.21 -0.24 0.00 -0.80 0.00 0.00 55.06 55.23 2ki8 s HIS 22 Cb 0.00 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 2ki8 s HIS 22 CO 0.00 -0.60 1.02 0.00 -2.00 0.00 0.00 174.74 173.16 2ki8 s MET 23 N 2.59 4.25 -0.09 -0.38 0.23 -1.26 -4.85 119.30 119.78 2ki8 s MET 23 Ca 0.06 1.46 -0.02 0.00 -1.03 0.00 0.00 55.69 56.16 2ki8 s MET 23 Cb -0.14 -2.57 -0.03 0.00 -1.53 0.00 0.00 34.83 30.56 2ki8 s MET 23 CO -0.14 -0.05 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.27 2ki8 s LEU 24 N -2.55 3.45 -0.35 0.18 1.43 -0.28 -4.93 118.68 115.63 2ki8 s LEU 24 Ca 0.56 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 2ki8 s LEU 24 Cb -0.21 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2ki8 s LEU 24 CO 0.26 0.34 1.18 -0.70 0.23 0.00 0.00 176.35 177.65 2ki8 s GLU 25 N -0.65 3.93 0.19 1.70 2.12 -1.26 -0.75 118.70 123.97 2ki8 s GLU 25 Ca 0.10 1.02 0.07 0.00 0.36 0.00 0.00 54.97 56.52 2ki8 s GLU 25 Cb -0.12 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 2ki8 s GLU 25 CO 0.02 -1.10 -0.14 0.14 -0.54 0.00 0.00 175.26 173.64 2ki8 s VAL 26 N 4.13 1.63 -0.43 3.70 -7.23 0.80 -4.58 120.40 118.41 2ki8 s VAL 26 Ca 0.50 -2.17 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 2ki8 s VAL 26 Cb -0.13 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.85 2ki8 s VAL 26 CO 0.22 -0.61 0.37 -0.70 -0.31 0.00 0.00 175.10 174.07 2ki8 s GLU 27 N -3.62 3.01 -0.46 4.82 2.12 -0.68 0.46 118.70 124.36 2ki8 s GLU 27 Ca 0.21 -0.99 -0.26 0.00 0.36 0.00 0.00 54.97 54.28 2ki8 s GLU 27 Cb -0.00 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.41 2ki8 s GLU 27 CO 0.06 -0.85 0.99 0.08 -0.54 0.00 0.00 175.26 174.99 2ki8 s VAL 28 N 1.85 4.40 0.42 3.70 1.01 0.23 -0.99 120.40 131.04 2ki8 s VAL 28 Ca 0.07 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2ki8 s VAL 28 Cb -0.19 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2ki8 s VAL 28 CO 0.11 -0.87 0.65 -0.63 0.00 0.00 0.00 175.10 174.36 2ki8 s ILE 29 N 3.94 4.55 -0.35 2.22 1.01 0.05 0.52 121.20 133.13 2ki8 s ILE 29 Ca 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 2ki8 s ILE 29 Cb -0.09 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.82 2ki8 s ILE 29 CO 0.27 -0.51 0.19 -0.44 0.00 0.00 0.00 174.94 174.45 2ki8 s SER 30 N -4.13 3.29 -0.10 3.58 0.01 -1.22 -1.50 113.70 113.63 2ki8 s SER 30 Ca 0.45 -2.06 -0.15 0.00 1.31 0.00 0.00 55.95 55.50 2ki8 s SER 30 Cb -0.10 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 2ki8 s SER 30 CO 0.39 -0.33 0.37 -0.83 0.41 0.00 0.00 173.24 173.24 2ki8 s GLY 31 N 1.17 2.34 -1.13 3.44 0.00 -0.92 -4.49 107.32 107.73 2ki8 s GLY 31 Ca 0.16 -0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 2ki8 s GLY 31 CO -0.08 0.41 1.80 -1.60 0.00 0.00 0.00 173.10 173.63 2ki8 s ARG 32 N 0.01 3.11 -0.21 2.90 3.52 -1.25 -0.71 118.95 126.32 2ki8 s ARG 32 Ca 0.21 -1.21 -0.18 0.00 -0.13 0.00 0.00 55.73 54.42 2ki8 s ARG 32 Cb -0.15 -5.31 -0.14 0.00 -1.56 0.00 0.00 34.95 27.79 2ki8 s ARG 32 CO 0.08 -3.07 0.02 0.25 -0.81 0.00 0.00 175.30 171.78 2ki8 n THR 33 N 7.27 1.51 -2.74 4.11 -2.24 -1.26 -4.75 114.28 116.18 2ki8 n THR 33 Ca 0.43 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.75 2ki8 n THR 33 Cb 0.47 -2.09 -0.04 0.00 -2.10 0.00 0.00 70.33 66.57 2ki8 n THR 33 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ki8 s LEU 34 N -7.88 3.86 0.24 3.22 1.98 -1.26 -5.02 118.68 113.82 2ki8 s LEU 34 Ca -0.28 -0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 50.23 2ki8 s LEU 34 Cb 0.07 -2.74 -0.09 0.00 0.66 0.00 0.00 46.19 44.08 2ki8 s LEU 34 CO 0.50 -1.45 1.30 0.20 -1.89 0.00 0.00 176.35 175.01 2ki8 s ASN 35 N 3.24 6.88 0.06 3.68 0.01 -1.26 -4.92 114.94 122.63 2ki8 s ASN 35 Ca 0.32 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 2ki8 s ASN 35 Cb -0.12 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2ki8 s ASN 35 CO 0.17 -0.51 0.00 0.00 -1.51 0.00 0.00 177.10 175.25 2ki8 n GLN 36 N 2.07 1.95 0.00 -0.60 6.02 -1.26 -4.86 117.38 120.71 2ki8 n GLN 36 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2ki8 n GLN 36 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ki8 n GLY 37 N 5.00 1.74 3.34 1.08 0.00 -1.26 -5.10 105.19 109.99 2ki8 n GLY 37 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.02 1.97 0.51 4.61 0.00 -1.26 -5.17 121.76 120.40 2ki8 s ALA 38 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 2ki8 s ALA 38 Cb 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 23.12 24.24 2ki8 s ALA 38 CO 0.00 -0.50 0.80 0.95 0.00 0.00 0.00 175.76 177.01 2ki8 s THR 39 N -3.60 4.42 0.54 0.00 -4.23 -1.26 -4.94 115.64 106.56 2ki8 s THR 39 Ca 0.35 0.04 0.30 0.00 -1.18 0.00 0.00 61.69 61.20 2ki8 s THR 39 Cb 0.05 -3.69 0.34 0.00 1.34 0.00 0.00 72.50 70.54 2ki8 s THR 39 CO 0.17 -0.66 2.21 -0.37 -0.54 0.00 0.00 174.62 175.43 2ki8 h VAL 40 N 0.13 0.50 -0.12 2.29 -1.51 -2.01 -0.04 116.25 115.49 2ki8 h VAL 40 Ca -0.46 -0.16 -0.11 0.00 -1.23 0.00 0.00 66.70 64.73 2ki8 h VAL 40 Cb 1.23 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2ki8 h VAL 40 CO 0.61 0.04 -0.36 -0.08 -1.23 0.00 0.00 177.57 176.54 2ki8 h GLU 41 N 0.00 0.46 -0.27 5.19 4.81 -1.98 -1.24 114.58 121.55 2ki8 h GLU 41 Ca -0.00 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 2ki8 h GLU 41 Cb 0.10 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2ki8 h GLU 41 CO 0.00 0.95 0.01 1.49 -0.73 0.00 0.00 179.01 180.74 2ki8 h GLU 42 N 0.06 0.41 -0.86 1.92 4.57 -1.71 -2.32 114.58 116.65 2ki8 h GLU 42 Ca -0.01 -0.07 -0.55 0.00 -1.18 0.00 0.00 59.36 57.55 2ki8 h GLU 42 Cb 0.98 -0.07 -0.29 0.00 -0.16 0.00 0.00 28.75 29.22 2ki8 h GLU 42 CO 0.08 0.43 0.40 1.63 -1.18 0.00 0.00 179.01 180.37 2ki8 n LYS 43 N -4.33 2.62 -1.94 1.92 5.02 -0.11 -4.95 118.16 116.39 2ki8 n LYS 43 Ca 0.01 -3.36 -0.24 0.00 -2.02 0.00 0.00 58.31 52.70 2ki8 n LYS 43 Cb 0.21 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 32.96 2ki8 n LYS 43 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ki8 s LEU 44 N -3.59 2.97 0.27 -0.35 1.98 -0.47 -4.56 118.68 114.92 2ki8 s LEU 44 Ca 0.58 -1.04 -0.10 0.00 -2.89 0.00 0.00 54.13 50.69 2ki8 s LEU 44 Cb 0.47 -2.58 -0.00 0.00 0.66 0.00 0.00 46.19 44.74 2ki8 s LEU 44 CO 0.03 -3.31 0.45 0.28 -1.89 0.00 0.00 176.35 171.90 2ki8 s THR 45 N 12.04 0.00 0.42 3.68 -1.32 -1.26 -5.05 115.64 124.15 2ki8 s THR 45 Ca 0.74 -1.50 0.21 0.00 -1.21 0.00 0.00 61.69 59.92 2ki8 s THR 45 Cb -0.05 -2.35 0.23 0.00 -1.51 0.00 0.00 72.50 68.82 2ki8 s THR 45 CO 0.09 0.00 2.01 -0.33 -2.21 0.00 0.00 174.62 174.18 2ki8 h GLU 46 N 2.26 0.00 -0.54 7.08 5.08 -1.97 -2.66 114.58 123.83 2ki8 h GLU 46 Ca -0.28 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2ki8 h GLU 46 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2ki8 h GLU 46 CO 0.38 0.17 0.16 0.93 -1.00 0.00 0.00 179.01 179.65 2ki8 h GLU 47 N 0.00 0.30 0.00 2.33 4.39 -1.96 0.80 114.58 120.44 2ki8 h GLU 47 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2ki8 h GLU 47 Cb 0.37 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2ki8 h GLU 47 CO 0.02 0.20 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.00 2ki8 h TYR 48 N 0.31 0.00 -0.02 4.33 5.03 -1.72 0.12 116.97 125.02 2ki8 h TYR 48 Ca 0.27 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.58 2ki8 h TYR 48 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2ki8 h TYR 48 CO -0.20 0.16 -0.04 0.34 -1.32 0.00 0.00 178.16 177.11 2ki8 n PHE 49 N -3.41 0.00 0.00 -3.82 7.35 -0.11 -4.09 117.46 113.38 2ki8 n PHE 49 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2ki8 n PHE 49 Cb 0.34 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.17 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2ki8 n ASN 50 N 0.58 4.63 0.12 -2.13 3.02 0.08 -4.70 115.26 116.87 2ki8 n ASN 50 Ca 0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.66 2ki8 n ASN 50 Cb 0.46 0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 40.17 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 h ALA 51 N 0.00 -0.47 -0.49 5.41 0.00 -0.94 -3.36 119.26 119.40 2ki8 h ALA 51 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2ki8 h ALA 51 Cb 0.71 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2ki8 h ALA 51 CO 0.00 -0.45 0.06 1.33 0.00 0.00 0.00 179.25 180.20 2ki8 n VAL 52 N -4.21 2.23 -0.36 0.00 0.24 -1.26 -4.38 118.33 110.59 2ki8 n VAL 52 Ca -0.05 -1.14 0.09 0.00 -2.04 0.00 0.00 64.34 61.20 2ki8 n VAL 52 Cb 0.14 -0.36 0.26 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.33 3.66 -4.19 -1.34 5.03 -1.26 -4.54 115.26 112.95 2ki8 n ASN 53 Ca 0.25 -2.11 -0.11 0.00 0.87 0.00 0.00 54.58 53.47 2ki8 n ASN 53 Cb 1.05 -0.40 -0.10 0.00 -1.02 0.00 0.00 39.78 39.30 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ki8 s TYR 54 N -1.20 0.98 -0.07 3.10 1.13 -1.26 -0.88 117.35 119.14 2ki8 s TYR 54 Ca 0.39 -1.00 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 2ki8 s TYR 54 Cb 0.22 -0.57 0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2ki8 s TYR 54 CO 0.24 -0.23 -0.15 0.00 -2.51 0.00 0.00 175.55 172.90 2ki8 s ALA 55 N -3.70 1.46 -0.30 9.51 0.00 -0.41 -4.31 121.76 124.00 2ki8 s ALA 55 Ca 0.17 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.37 2ki8 s ALA 55 Cb 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2ki8 s ALA 55 CO -0.01 0.15 0.75 -1.21 0.00 0.00 0.00 175.76 175.44 2ki8 s GLU 56 N 0.59 3.97 -0.02 0.00 2.02 0.56 -1.33 118.70 124.51 2ki8 s GLU 56 Ca -0.16 0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.42 2ki8 s GLU 56 Cb -0.16 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 2ki8 s GLU 56 CO 0.05 -0.63 -0.11 0.42 0.02 0.00 0.00 175.26 175.01 2ki8 s ILE 57 N 2.86 3.32 0.57 -1.63 1.01 0.12 -1.60 121.20 125.85 2ki8 s ILE 57 Ca 0.31 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 2ki8 s ILE 57 Cb -0.14 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2ki8 s ILE 57 CO 0.12 0.47 1.23 0.21 0.00 0.00 0.00 174.94 176.97 2ki8 s ASN 58 N -1.13 5.31 0.15 3.58 3.84 -1.26 -0.73 114.94 124.70 2ki8 s ASN 58 Ca 0.14 2.44 -0.18 0.00 0.21 0.00 0.00 52.86 55.47 2ki8 s ASN 58 Cb -0.11 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 38.03 2ki8 s ASN 58 CO 0.04 -1.51 1.69 -0.08 -2.79 0.00 0.00 177.10 174.44 2ki8 h GLU 59 N 1.11 0.01 -0.03 0.43 4.57 -1.87 0.83 114.58 119.64 2ki8 h GLU 59 Ca -0.50 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2ki8 h GLU 59 Cb 1.29 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 2ki8 h GLU 59 CO 0.56 0.01 -0.12 0.93 -1.18 0.00 0.00 179.01 179.21 2ki8 h GLU 60 N 0.01 -0.18 -0.36 1.92 4.39 -1.97 -1.58 114.58 116.80 2ki8 h GLU 60 Ca 0.15 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 2ki8 h GLU 60 Cb 0.23 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2ki8 h GLU 60 CO -0.32 -0.12 -0.12 -0.44 -1.16 0.00 0.00 179.01 176.85 2ki8 h ASP 61 N -0.19 0.62 -0.33 1.42 3.32 -1.91 -0.92 116.42 118.43 2ki8 h ASP 61 Ca 0.05 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.00 2ki8 h ASP 61 Cb 0.26 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2ki8 h ASP 61 CO -0.14 0.77 -0.09 -0.25 -1.72 0.00 0.00 179.24 177.80 2ki8 h TRP 62 N 0.58 -0.20 -0.21 4.55 2.91 -0.20 0.29 115.95 123.67 2ki8 h TRP 62 Ca 0.10 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.98 2ki8 h TRP 62 Cb 0.55 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2ki8 h TRP 62 CO 0.02 -0.15 -0.56 -0.91 -1.03 0.00 0.00 178.44 175.81 2ki8 h ASN 63 N -0.01 0.70 -0.34 2.65 2.35 -1.12 -1.28 115.58 118.53 2ki8 h ASN 63 Ca 0.16 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2ki8 h ASN 63 Cb 0.26 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2ki8 h ASN 63 CO -0.35 1.11 0.22 0.00 -1.65 0.00 0.00 177.43 176.77 2ki8 h ALA 64 N 0.90 1.82 0.00 -0.83 0.00 -0.51 -1.23 119.26 119.41 2ki8 h ALA 64 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ki8 h ALA 64 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ki8 h ALA 64 CO 0.11 0.15 -0.69 1.28 0.00 0.00 0.00 179.25 180.10 2ki8 n LEU 65 N -4.49 0.63 -2.46 0.00 4.77 0.03 -4.94 117.00 110.54 2ki8 n LEU 65 Ca 0.02 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2ki8 n LEU 65 Cb 0.11 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2ki8 n LEU 65 CO 0.35 0.02 0.05 0.61 -1.33 0.00 0.00 177.39 177.09 2ki8 n GLY 66 N 1.39 -0.11 3.80 -0.72 0.00 -0.47 -4.73 105.19 104.35 2ki8 n GLY 66 Ca 0.04 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.51 4.43 -0.03 0.99 1.43 -0.53 -5.04 118.68 115.41 2ki8 s LEU 67 Ca 0.08 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 2ki8 s LEU 67 Cb -0.01 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2ki8 s LEU 67 CO 0.43 0.24 -0.01 -1.58 0.23 0.00 0.00 176.35 175.66 2ki8 s GLN 68 N -0.65 2.84 -0.51 1.70 0.74 -1.26 -4.85 119.66 117.67 2ki8 s GLN 68 Ca 0.25 -0.54 -0.26 0.00 0.05 0.00 0.00 55.36 54.86 2ki8 s GLN 68 Cb -0.17 -2.70 -0.06 0.00 1.10 0.00 0.00 33.01 31.18 2ki8 s GLN 68 CO 0.13 0.65 2.31 -1.21 -0.55 0.00 0.00 175.29 176.63 2ki8 s GLU 69 N -1.27 2.18 0.00 1.67 2.02 -1.26 -0.79 118.70 121.25 2ki8 s GLU 69 Ca 0.17 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2ki8 s GLU 69 Cb -0.11 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.56 2ki8 s GLU 69 CO 0.07 -3.19 0.00 0.41 0.02 0.00 0.00 175.26 172.57 2ki8 n GLY 70 N 5.95 1.04 3.67 -1.39 0.00 -1.26 -5.15 105.19 108.05 2ki8 n GLY 70 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.55 1.27 0.05 1.61 1.01 0.03 -4.86 116.67 115.22 2ki8 s ASP 71 Ca 0.00 0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.80 2ki8 s ASP 71 Cb 0.00 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 43.26 2ki8 s ASP 71 CO 0.00 -3.89 -0.12 0.00 0.21 0.00 0.00 175.17 171.36 2ki8 s ARG 72 N -5.56 0.78 0.14 8.23 3.03 -1.26 -1.12 118.95 123.19 2ki8 s ARG 72 Ca 0.72 -0.81 0.09 0.00 2.03 0.00 0.00 55.73 57.76 2ki8 s ARG 72 Cb -0.07 -0.74 -0.04 0.00 -1.03 0.00 0.00 34.95 33.06 2ki8 s ARG 72 CO 0.55 0.17 -0.20 0.14 -1.13 0.00 0.00 175.30 174.83 2ki8 s VAL 73 N -1.09 1.84 -0.24 4.99 -7.23 -0.13 -3.57 120.40 114.97 2ki8 s VAL 73 Ca -0.02 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 2ki8 s VAL 73 Cb -0.09 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2ki8 s VAL 73 CO 0.01 -0.18 0.42 -0.75 -0.31 0.00 0.00 175.10 174.30 2ki8 s LYS 74 N -2.39 4.09 -0.19 4.82 2.47 0.15 -1.82 119.74 126.87 2ki8 s LYS 74 Ca 0.12 0.17 -0.05 0.00 -1.56 0.00 0.00 55.97 54.66 2ki8 s LYS 74 Cb -0.08 -3.61 -0.03 0.00 -1.46 0.00 0.00 37.83 32.66 2ki8 s LYS 74 CO 0.06 -0.20 -0.01 0.08 0.16 0.00 0.00 175.35 175.44 2ki8 s VAL 75 N 1.82 3.98 -0.04 4.02 1.01 0.13 -1.32 120.40 130.00 2ki8 s VAL 75 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2ki8 s VAL 75 Cb -0.15 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2ki8 s VAL 75 CO 0.09 0.45 -0.06 -0.54 0.00 0.00 0.00 175.10 175.03 2ki8 s LYS 76 N 0.81 0.91 0.05 2.72 1.02 -0.14 -1.19 119.74 123.93 2ki8 s LYS 76 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.81 2ki8 s LYS 76 Cb -0.14 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2ki8 s LYS 76 CO 0.02 -0.01 0.03 0.25 -0.92 0.00 0.00 175.35 174.72 2ki8 n THR 77 N 3.75 0.00 0.32 2.17 -2.24 -0.23 0.10 114.28 118.16 2ki8 n THR 77 Ca -0.23 -0.31 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2ki8 n THR 77 Cb 0.52 0.13 0.45 0.00 -2.10 0.00 0.00 70.33 69.33 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 9.09 -1.86 -3.30 114.58 117.73 2ki8 h GLU 78 Ca -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 2ki8 h GLU 78 Cb 0.15 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2ki8 h GLU 78 CO 0.06 0.00 -0.10 0.74 0.05 0.00 0.00 179.01 179.76 2ki8 h PHE 79 N 0.00 0.00 -0.02 2.06 0.04 -1.86 -3.51 116.94 113.65 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 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2ki8 h PHE 79 CO 0.00 0.77 0.00 0.41 -0.60 0.00 0.00 178.31 178.89 2ki8 n GLY 80 N 1.64 1.71 3.22 -1.45 0.00 -0.90 -4.93 105.19 104.47 2ki8 n GLY 80 Ca -0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 1.94 0.75 -0.13 1.61 -1.05 -1.22 -1.07 118.70 119.53 2ki8 s GLU 81 Ca 0.00 -0.53 -0.25 0.00 -0.15 0.00 0.00 54.97 54.03 2ki8 s GLU 81 Cb 0.00 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 34.07 2ki8 s GLU 81 CO 0.00 -0.23 0.62 0.54 0.95 0.00 0.00 175.26 177.14 2ki8 s VAL 82 N -2.44 0.01 -0.31 1.83 0.11 -0.33 -4.79 120.40 114.46 2ki8 s VAL 82 Ca -0.06 -0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 2ki8 s VAL 82 Cb -0.01 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2ki8 s VAL 82 CO -0.03 -0.03 0.18 -0.69 -3.33 0.00 0.00 175.10 171.20 2ki8 s VAL 83 N -0.56 4.92 0.30 2.04 1.01 -1.26 -0.70 120.40 126.16 2ki8 s VAL 83 Ca -0.07 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2ki8 s VAL 83 Cb -0.02 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2ki8 s VAL 83 CO 0.05 0.09 -0.02 0.68 0.00 0.00 0.00 175.10 175.90 2ki8 s VAL 84 N 1.67 1.56 0.13 2.92 -7.23 -0.76 -2.21 120.40 116.48 2ki8 s VAL 84 Ca 0.06 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 2ki8 s VAL 84 Cb -0.17 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.09 2ki8 s VAL 84 CO 0.08 -0.19 1.38 -0.36 -0.31 0.00 0.00 175.10 175.70 2ki8 s PHE 85 N -3.06 3.24 -0.23 2.82 0.08 -0.06 -0.95 117.98 119.82 2ki8 s PHE 85 Ca 0.32 0.99 -0.27 0.00 0.12 0.00 0.00 56.93 58.09 2ki8 s PHE 85 Cb 0.06 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 2ki8 s PHE 85 CO 0.13 -2.32 0.95 0.00 -0.10 0.00 0.00 175.22 173.89 2ki8 s ALA 86 N 0.92 3.67 0.12 5.36 0.00 -0.28 -1.29 121.76 130.26 2ki8 s ALA 86 Ca 0.63 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2ki8 s ALA 86 Cb -0.37 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2ki8 s ALA 86 CO 0.32 -0.99 -0.10 0.15 0.00 0.00 0.00 175.76 175.13 2ki8 s LYS 87 N 3.04 0.93 -0.01 0.00 1.02 -0.44 -4.20 119.74 120.09 2ki8 s LYS 87 Ca 0.40 -1.28 -0.12 0.00 0.02 0.00 0.00 55.97 54.99 2ki8 s LYS 87 Cb -0.15 -0.57 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 2ki8 s LYS 87 CO 0.07 0.08 0.35 0.21 -0.92 0.00 0.00 175.35 175.14 2ki8 s LYS 88 N -3.20 3.80 0.16 1.68 2.20 -1.26 0.12 119.74 123.25 2ki8 s LYS 88 Ca 0.10 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 2ki8 s LYS 88 Cb -0.01 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2ki8 s LYS 88 CO 0.00 0.69 0.11 0.20 -0.36 0.00 0.00 175.35 175.99 2ki8 s GLY 89 N -1.17 1.16 -0.10 5.54 0.00 0.09 -4.61 107.32 108.22 2ki8 s GLY 89 Ca 0.23 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.47 2ki8 s GLY 89 CO 0.12 -1.34 1.04 1.22 0.00 0.00 0.00 173.10 174.14 2ki8 n ASP 90 N -0.18 2.94 -4.80 1.64 9.92 -1.26 -4.19 116.55 120.62 2ki8 n ASP 90 Ca -0.02 -2.40 -0.33 0.00 -0.53 0.00 0.00 54.79 51.51 2ki8 n ASP 90 Cb 0.65 -0.58 0.01 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.67 3.72 0.87 2.53 -7.23 -1.26 -5.04 120.40 112.32 2ki8 s VAL 91 Ca 0.22 0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 61.16 2ki8 s VAL 91 Cb 0.17 -3.36 0.12 0.00 0.56 0.00 0.00 36.38 33.86 2ki8 s VAL 91 CO 0.06 -0.42 1.12 -2.16 -0.31 0.00 0.00 175.10 173.39 2ki8 s PRO 92 N -3.88 1.42 0.54 4.82 0.04 -1.26 -4.44 135.00 132.23 2ki8 s PRO 92 Ca 0.65 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 2ki8 s PRO 92 Cb -0.17 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2ki8 s PRO 92 CO 0.34 -2.30 1.28 0.21 0.04 0.00 0.00 177.00 176.56 2ki8 s LYS 93 N -4.74 3.23 -1.14 4.56 2.20 -1.26 -2.74 119.74 119.85 2ki8 s LYS 93 Ca 0.65 2.03 -0.03 0.00 -0.36 0.00 0.00 55.97 58.26 2ki8 s LYS 93 Cb -0.21 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 2ki8 s LYS 93 CO 0.57 -1.05 0.39 0.41 -0.36 0.00 0.00 175.35 175.31 2ki8 n GLY 94 N 0.62 -0.19 3.55 5.54 0.00 -1.26 -4.99 105.19 108.47 2ki8 n GLY 94 Ca 0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.29 0.72 0.02 1.61 0.00 -1.11 -1.69 119.30 113.56 2ki8 s MET 95 Ca 0.19 0.95 0.02 0.00 0.00 0.00 0.00 55.69 56.86 2ki8 s MET 95 Cb -0.08 0.29 -0.01 0.00 0.00 0.00 0.00 34.83 35.03 2ki8 s MET 95 CO 0.24 -0.11 -0.08 0.96 0.00 0.00 0.00 175.02 176.03 2ki8 s ILE 96 N 0.68 0.59 -0.20 10.11 -4.36 -0.16 -4.13 121.20 123.73 2ki8 s ILE 96 Ca -0.03 -0.62 -0.08 0.00 -0.26 0.00 0.00 60.65 59.66 2ki8 s ILE 96 Cb -0.05 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 2ki8 s ILE 96 CO -0.04 -0.05 0.09 0.12 0.24 0.00 0.00 174.94 175.30 2ki8 s PHE 97 N -0.63 3.28 -0.06 1.37 5.36 -0.63 -0.77 117.98 125.90 2ki8 s PHE 97 Ca -0.02 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.11 2ki8 s PHE 97 Cb -0.06 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.48 2ki8 s PHE 97 CO 0.00 0.13 -0.18 0.42 -1.46 0.00 0.00 175.22 174.12 2ki8 s ILE 98 N 0.59 1.55 0.21 3.12 1.01 -0.56 -0.32 121.20 126.79 2ki8 s ILE 98 Ca 0.05 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 59.61 2ki8 s ILE 98 Cb -0.13 -1.34 -0.12 0.00 0.01 0.00 0.00 42.46 40.88 2ki8 s ILE 98 CO 0.01 0.44 1.71 -2.65 0.00 0.00 0.00 174.94 174.46 2ki8 n PRO 99 N 3.29 2.75 -1.52 2.79 -0.02 -1.26 -2.16 135.00 138.87 2ki8 n PRO 99 Ca -0.19 0.99 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 2ki8 n PRO 99 Cb 0.53 -2.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.90 1.16 -1.78 -0.52 1.56 0.11 -4.59 117.12 116.97 2ki8 n MET 100 Ca 0.16 0.23 -0.02 0.00 -0.27 0.00 0.00 57.70 57.80 2ki8 n MET 100 Cb 0.35 -2.83 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 6.21 1.61 0.36 -5.12 0.00 -1.26 -4.70 105.19 102.30 2ki8 n GLY 101 Ca 0.40 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 0.82 0.29 1.61 0.13 -1.89 0.24 132.00 133.21 2ki8 h PRO 102 Ca -0.08 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2ki8 h PRO 102 Cb 0.32 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2ki8 h PRO 102 CO 0.11 0.54 -0.14 1.88 -0.23 0.00 0.00 178.00 180.16 2ki8 h TYR 103 N 0.85 -0.37 -0.91 1.56 -1.99 -1.91 -2.61 116.97 111.59 2ki8 h TYR 103 Ca 0.37 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.09 2ki8 h TYR 103 Cb 0.34 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.15 2ki8 h TYR 103 CO -0.00 -0.21 0.54 0.00 -0.00 0.00 0.00 178.16 178.48 2ki8 h ALA 104 N 0.28 1.16 -0.52 3.88 0.00 -1.67 -2.44 119.26 119.95 2ki8 h ALA 104 Ca -0.04 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2ki8 h ALA 104 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ki8 h ALA 104 CO 0.07 0.62 0.51 -0.97 0.00 0.00 0.00 179.25 179.48 2ki8 h ASN 105 N 1.25 0.00 0.19 0.00 -1.24 -0.22 0.31 115.58 115.87 2ki8 h ASN 105 Ca 0.32 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.25 2ki8 h ASN 105 Cb -0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2ki8 h ASN 105 CO -0.06 0.00 -0.31 0.24 -1.29 0.00 0.00 177.43 176.01 2ki8 h MET 106 N 0.00 0.19 0.00 6.67 2.86 -1.07 -3.34 114.93 120.23 2ki8 h MET 106 Ca 0.25 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2ki8 h MET 106 Cb 1.26 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2ki8 h MET 106 CO -0.00 0.48 -0.40 1.33 1.06 0.00 0.00 176.91 179.39 2ki8 n VAL 107 N -4.12 0.00 -3.11 -2.22 0.24 0.31 -2.11 118.33 107.31 2ki8 n VAL 107 Ca -0.01 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.78 2ki8 n VAL 107 Cb 0.39 0.81 0.06 0.00 -1.47 0.00 0.00 33.84 33.63 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 -1.20 0.00 -3.44 1.34 -5.35 0.82 -4.54 119.36 106.99 2ki8 n ILE 108 Ca 0.00 -1.94 -0.40 0.00 -0.27 0.00 0.00 62.75 60.14 2ki8 n ILE 108 Cb 0.01 -0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 37.34 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 -4.53 6.15 0.00 7.28 2.15 -1.26 -4.85 116.67 121.61 2ki8 s ASP 109 Ca 0.58 -0.25 0.17 0.00 0.43 0.00 0.00 52.55 53.48 2ki8 s ASP 109 Cb -0.05 -2.18 0.93 0.00 -0.30 0.00 0.00 42.92 41.32 2ki8 s ASP 109 CO 0.37 -0.30 1.61 -0.81 -0.17 0.00 0.00 175.17 175.87 2ki8 n PRO 110 N 5.31 1.16 -0.03 4.34 -0.05 -1.26 -3.80 135.00 140.67 2ki8 n PRO 110 Ca -0.10 -0.25 -0.08 0.00 -0.05 0.00 0.00 63.50 63.02 2ki8 n PRO 110 Cb 0.50 -1.29 -0.14 0.00 -0.05 0.00 0.00 33.50 32.52 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2ki8 n SER 111 N -0.51 0.72 -3.17 3.54 2.88 -1.26 -4.97 113.62 110.85 2ki8 n SER 111 Ca 0.13 0.34 -0.23 0.00 -1.33 0.00 0.00 58.87 57.79 2ki8 n SER 111 Cb 0.12 0.14 0.22 0.00 -0.75 0.00 0.00 64.21 63.93 2ki8 n SER 111 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2ki8 n THR 112 N -2.98 0.00 0.27 2.46 5.66 -1.25 -4.88 114.28 113.56 2ki8 n THR 112 Ca -0.19 -0.02 0.11 0.00 -3.05 0.00 0.00 64.05 60.90 2ki8 n THR 112 Cb 1.05 -0.76 0.75 0.00 -1.55 0.00 0.00 70.33 69.82 2ki8 n THR 112 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2ki8 h ASP 113 N -3.17 0.00 -3.21 1.09 5.19 -1.93 -3.46 116.42 110.94 2ki8 h ASP 113 Ca -0.29 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.84 2ki8 h ASP 113 Cb 0.98 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 2ki8 h ASP 113 CO 0.18 0.04 -0.34 0.61 -3.12 0.00 0.00 179.24 176.61 2ki8 n GLY 114 N -1.27 -0.14 2.92 2.75 0.00 -1.26 -4.94 105.19 103.25 2ki8 n GLY 114 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ki8 s THR 115 N -2.60 0.66 0.00 2.61 2.01 -1.26 -4.84 115.64 112.22 2ki8 s THR 115 Ca 0.00 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2ki8 s THR 115 Cb 0.00 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2ki8 s THR 115 CO 0.00 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2ki8 n GLY 116 N 3.98 3.10 3.81 4.40 0.00 -1.26 -5.08 105.19 114.14 2ki8 n GLY 116 Ca -0.25 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N -1.92 4.33 -0.84 1.61 -1.94 -1.26 -3.89 119.30 115.39 2ki8 s MET 117 Ca 0.00 1.09 -0.25 0.00 -1.71 0.00 0.00 55.69 54.82 2ki8 s MET 117 Cb 0.00 -2.54 -0.06 0.00 2.01 0.00 0.00 34.83 34.24 2ki8 s MET 117 CO 0.00 0.17 2.03 -1.25 -0.01 0.00 0.00 175.02 175.96 2ki8 s PRO 118 N -2.58 2.38 0.14 2.03 0.04 -1.26 -4.46 135.00 131.29 2ki8 s PRO 118 Ca 0.54 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2ki8 s PRO 118 Cb -0.14 -4.93 0.00 0.00 0.04 0.00 0.00 34.50 29.47 2ki8 s PRO 118 CO 0.19 -3.51 0.00 1.04 0.04 0.00 0.00 177.00 174.76 2ki8 n GLN 119 N 8.89 0.00 0.00 4.56 6.02 -1.26 -5.14 117.38 130.44 2ki8 n GLN 119 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2ki8 n GLN 119 Cb 0.47 -0.23 0.00 0.00 1.02 0.00 0.00 30.24 31.50 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 2ki8 n PHE 120 N -3.24 0.00 -2.01 1.08 -1.74 -1.26 -5.02 117.46 105.27 2ki8 n PHE 120 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.87 2ki8 n PHE 120 Cb 0.08 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.06 2ki8 n PHE 120 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2ki8 n LYS 121 N 0.00 -2.05 -4.03 3.97 0.00 -1.26 -4.94 118.16 109.85 2ki8 n LYS 121 Ca 0.00 1.82 -0.14 0.00 0.00 0.00 0.00 58.31 59.99 2ki8 n LYS 121 Cb 0.00 -2.92 -0.02 0.00 0.00 0.00 0.00 35.03 32.09 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ki8 n GLY 122 N 0.70 1.86 3.67 3.14 0.00 -1.26 -4.50 105.19 108.80 2ki8 n GLY 122 Ca -0.16 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.70 4.93 0.59 1.61 1.01 0.18 -4.75 120.40 121.27 2ki8 s VAL 123 Ca 0.28 1.48 -0.20 0.00 0.00 0.00 0.00 61.98 63.54 2ki8 s VAL 123 Cb -0.02 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2ki8 s VAL 123 CO 0.20 0.05 1.30 -0.54 0.00 0.00 0.00 175.10 176.12 2ki8 s LYS 124 N 2.08 2.92 0.00 2.72 -0.14 -1.26 0.78 119.74 126.84 2ki8 s LYS 124 Ca 0.35 2.09 0.00 0.00 -1.36 0.00 0.00 55.97 57.05 2ki8 s LYS 124 Cb -0.16 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 2ki8 s LYS 124 CO 0.12 -1.32 0.00 0.41 -0.76 0.00 0.00 175.35 173.80 2ki8 n GLY 125 N 0.75 1.06 3.11 -3.33 0.00 0.17 -4.67 105.19 102.28 2ki8 n GLY 125 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.15 0.20 -0.01 2.61 -4.23 0.12 -0.14 115.64 113.04 2ki8 s THR 126 Ca 0.00 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2ki8 s THR 126 Cb 0.00 -1.54 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 2ki8 s THR 126 CO 0.00 -0.92 0.06 0.54 -0.54 0.00 0.00 174.62 173.76 2ki8 s VAL 127 N -3.92 0.05 0.05 2.29 0.11 0.07 -0.96 120.40 118.09 2ki8 s VAL 127 Ca 0.08 -0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 58.56 2ki8 s VAL 127 Cb 0.08 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.72 2ki8 s VAL 127 CO -0.09 -0.23 0.34 -1.83 -3.33 0.00 0.00 175.10 169.96 2ki8 s GLU 128 N -0.72 0.87 -0.05 1.54 -1.05 -0.43 -1.13 118.70 117.73 2ki8 s GLU 128 Ca -0.08 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 53.94 2ki8 s GLU 128 Cb -0.05 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2ki8 s GLU 128 CO 0.00 -0.29 1.32 0.21 0.95 0.00 0.00 175.26 177.45 2ki8 s LYS 129 N -2.71 4.29 0.11 -4.83 2.47 -1.26 -0.68 119.74 117.13 2ki8 s LYS 129 Ca -0.04 1.83 0.06 0.00 -1.56 0.00 0.00 55.97 56.25 2ki8 s LYS 129 Cb -0.00 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 2ki8 s LYS 129 CO -0.04 -0.57 -0.14 -0.08 0.16 0.00 0.00 175.35 174.68 2ki8 s THR 130 N 2.62 1.26 -0.83 3.43 -1.32 -1.23 -4.89 115.64 114.67 2ki8 s THR 130 Ca 0.60 -1.64 0.27 0.00 -1.21 0.00 0.00 61.69 59.71 2ki8 s THR 130 Cb -0.28 -1.44 0.20 0.00 -1.51 0.00 0.00 72.50 69.47 2ki8 s THR 130 CO 0.23 -0.39 1.70 -0.67 -2.21 0.00 0.00 174.62 173.28 2ki8 n ASP 131 N 0.67 0.50 -4.45 8.08 2.03 -1.26 -4.67 116.55 117.44 2ki8 n ASP 131 Ca -0.17 0.37 -0.30 0.00 0.52 0.00 0.00 54.79 55.21 2ki8 n ASP 131 Cb 0.56 -0.40 0.21 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 -1.90 -1.65 -3.14 -0.67 1.02 -1.26 -5.00 120.64 108.03 2ki8 n GLU 132 Ca 0.06 -0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 56.39 2ki8 n GLU 132 Cb 0.39 -2.06 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 2ki8 n GLU 132 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2ki8 s LYS 133 N -4.12 4.22 0.19 3.49 0.00 -1.26 -4.90 119.74 117.36 2ki8 s LYS 133 Ca 0.64 0.82 -0.32 0.00 0.00 0.00 0.00 55.97 57.11 2ki8 s LYS 133 Cb -0.21 -2.92 -0.12 0.00 0.00 0.00 0.00 37.83 34.58 2ki8 s LYS 133 CO 0.64 0.43 1.74 0.08 0.00 0.00 0.00 175.35 178.24 2ki8 s VAL 134 N -1.48 2.15 -0.26 1.79 1.01 -1.26 -4.77 120.40 117.58 2ki8 s VAL 134 Ca 0.41 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 2ki8 s VAL 134 Cb -0.17 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2ki8 s VAL 134 CO 0.21 0.00 2.17 -0.76 0.00 0.00 0.00 175.10 176.72 2ki8 s LEU 135 N 1.51 3.44 0.51 3.92 1.43 -0.94 -4.95 118.68 123.60 2ki8 s LEU 135 Ca 0.76 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 55.35 2ki8 s LEU 135 Cb -0.49 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 2ki8 s LEU 135 CO 0.33 -2.02 1.27 -1.20 0.23 0.00 0.00 176.35 174.96 2ki8 n SER 136 N 11.89 2.37 -0.27 2.29 7.64 -1.26 -4.64 113.62 131.64 2ki8 n SER 136 Ca 0.29 1.00 0.06 0.00 1.01 0.00 0.00 58.87 61.24 2ki8 n SER 136 Cb 0.46 -1.52 0.18 0.00 -1.01 0.00 0.00 64.21 62.32 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 1.53 0.32 -0.20 0.44 2.07 -1.95 0.20 116.25 118.67 2ki8 h VAL 137 Ca -0.49 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 66.78 2ki8 h VAL 137 Cb 1.31 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2ki8 h VAL 137 CO 0.57 0.02 -0.67 0.50 0.02 0.00 0.00 177.57 178.01 2ki8 h LYS 138 N 0.11 0.80 -0.65 1.57 3.64 -1.99 -3.01 116.57 117.04 2ki8 h LYS 138 Ca 0.44 -0.60 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 2ki8 h LYS 138 Cb 0.79 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 2ki8 h LYS 138 CO -0.68 1.22 0.43 1.49 -2.27 0.00 0.00 179.45 179.64 2ki8 h GLU 139 N 0.55 0.77 -0.65 1.90 4.81 -1.11 0.14 114.58 120.98 2ki8 h GLU 139 Ca -0.03 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2ki8 h GLU 139 Cb 1.29 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2ki8 h GLU 139 CO 0.14 0.51 0.43 1.25 -0.73 0.00 0.00 179.01 180.61 2ki8 h LEU 140 N 0.79 0.73 -0.53 1.64 6.46 -0.74 0.16 115.31 123.81 2ki8 h LEU 140 Ca 0.26 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2ki8 h LEU 140 Cb 0.06 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2ki8 h LEU 140 CO -0.07 0.52 0.34 -0.07 -0.62 0.00 0.00 178.44 178.54 2ki8 h LEU 141 N 0.87 0.62 -1.13 2.25 3.38 -0.68 -1.38 115.31 119.24 2ki8 h LEU 141 Ca 0.25 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2ki8 h LEU 141 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ki8 h LEU 141 CO -0.07 0.48 -0.22 -0.33 0.09 0.00 0.00 178.44 178.39 2ki8 h GLU 142 N 0.72 0.34 -0.40 1.13 5.08 -0.70 0.32 114.58 121.06 2ki8 h GLU 142 Ca 0.19 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2ki8 h GLU 142 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2ki8 h GLU 142 CO -0.04 0.55 -0.37 0.00 -1.00 0.00 0.00 179.01 178.15 2ki8 h ALA 143 N 1.46 0.58 0.00 3.43 0.00 -0.13 -3.09 119.26 121.51 2ki8 h ALA 143 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ki8 h ALA 143 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ki8 h ALA 143 CO 0.04 0.68 0.00 0.44 0.00 0.00 0.00 179.25 180.41 2ki8 n ILE 144 N -4.06 0.43 0.00 0.00 -6.64 -0.57 -4.84 119.36 103.67 2ki8 n ILE 144 Ca -0.02 0.11 0.00 0.00 -1.77 0.00 0.00 62.75 61.07 2ki8 n ILE 144 Cb 0.54 -0.73 0.00 0.00 -1.44 0.00 0.00 39.64 38.01 2ki8 n ILE 144 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2ki8 n GLY 145 N 0.75 1.36 0.34 3.28 0.00 -1.17 -5.11 105.19 104.65 2ki8 n GLY 145 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06