#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 -0.62 3.63 3.03 0.00 -1.26 -5.08 105.19 104.89 2ki8 n GLY 2 Ca 0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.00 -0.77 -0.22 1.61 1.04 -1.26 -5.15 113.70 104.95 2ki8 s SER 3 Ca 0.00 1.44 -0.03 0.00 0.48 0.00 0.00 55.95 57.84 2ki8 s SER 3 Cb 0.00 1.44 0.11 0.00 0.10 0.00 0.00 66.02 67.67 2ki8 s SER 3 CO 0.00 -0.24 0.28 -0.94 0.98 0.00 0.00 173.24 173.32 2ki8 s SER 4 N 0.60 0.96 -0.32 7.02 1.04 -1.26 -5.03 113.70 116.71 2ki8 s SER 4 Ca -0.02 -0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.44 2ki8 s SER 4 Cb -0.05 0.66 0.46 0.00 0.10 0.00 0.00 66.02 67.20 2ki8 s SER 4 CO -0.03 -0.32 1.14 1.57 0.98 0.00 0.00 173.24 176.58 2ki8 n HIS 5 N 5.34 2.47 -1.44 5.02 -0.00 -1.26 -5.10 115.22 120.25 2ki8 n HIS 5 Ca -0.05 -2.44 -0.45 0.00 -0.00 0.00 0.00 57.72 54.79 2ki8 n HIS 5 Cb 0.50 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.99 30.20 2ki8 n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ki8 n HIS 6 N -0.59 -0.37 -3.66 1.57 -0.00 -1.26 -5.01 115.22 105.91 2ki8 n HIS 6 Ca 0.33 0.78 -0.07 0.00 -0.00 0.00 0.00 57.72 58.75 2ki8 n HIS 6 Cb 0.86 -2.00 -0.08 0.00 -0.00 0.00 0.00 29.99 28.77 2ki8 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ki8 s HIS 7 N -1.23 -0.96 -0.29 -1.40 0.00 -1.26 -5.15 115.29 105.00 2ki8 s HIS 7 Ca 0.62 1.90 -0.15 0.00 -3.00 0.00 0.00 55.06 54.42 2ki8 s HIS 7 Cb -0.76 0.54 0.14 0.00 -4.00 0.00 0.00 32.58 28.50 2ki8 s HIS 7 CO 0.58 -0.49 0.94 -3.38 -1.00 0.00 0.00 174.74 171.39 2ki8 s HIS 8 N 1.78 -0.68 -0.30 0.38 -0.00 -1.26 -5.16 115.29 110.04 2ki8 s HIS 8 Ca -0.09 1.30 -0.11 0.00 -0.00 0.00 0.00 55.06 56.16 2ki8 s HIS 8 Cb -0.07 0.41 0.16 0.00 -0.00 0.00 0.00 32.58 33.08 2ki8 s HIS 8 CO -0.18 -0.34 0.86 -3.38 -0.00 0.00 0.00 174.74 171.70 2ki8 s HIS 9 N 1.70 -0.97 -0.21 0.38 0.00 -1.26 -5.17 115.29 109.76 2ki8 s HIS 9 Ca -0.07 1.42 -0.29 0.00 -3.00 0.00 0.00 55.06 53.12 2ki8 s HIS 9 Cb -0.05 0.49 0.14 0.00 -4.00 0.00 0.00 32.58 29.16 2ki8 s HIS 9 CO -0.16 -0.50 1.10 -3.38 -1.00 0.00 0.00 174.74 170.80 2ki8 s HIS 10 N 2.71 -0.31 0.01 0.38 0.00 -1.26 -5.19 115.29 111.64 2ki8 s HIS 10 Ca 0.01 0.59 -0.03 0.00 -3.00 0.00 0.00 55.06 52.63 2ki8 s HIS 10 Cb -0.10 0.44 -0.01 0.00 -4.00 0.00 0.00 32.58 28.92 2ki8 s HIS 10 CO -0.17 -0.24 0.04 -1.12 -1.00 0.00 0.00 174.74 172.24 2ki8 s SER 11 N -0.76 0.16 0.29 7.38 0.01 -1.26 -5.17 113.70 114.34 2ki8 s SER 11 Ca 0.02 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 56.92 2ki8 s SER 11 Cb -0.02 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2ki8 s SER 11 CO -0.03 -0.33 0.19 -0.94 0.41 0.00 0.00 173.24 172.53 2ki8 s SER 12 N -1.45 1.29 0.00 2.44 1.04 -1.26 -5.16 113.70 110.59 2ki8 s SER 12 Ca -0.15 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.70 2ki8 s SER 12 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2ki8 s SER 12 CO -0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2ki8 n GLY 13 N -0.53 2.11 3.23 7.32 0.00 -1.26 -5.20 105.19 110.86 2ki8 n GLY 13 Ca 0.03 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 2ki8 n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ki8 s ARG 14 N 0.00 0.94 0.32 1.61 3.03 -1.26 -5.15 118.95 118.44 2ki8 s ARG 14 Ca 0.00 -1.14 -0.28 0.00 2.03 0.00 0.00 55.73 56.35 2ki8 s ARG 14 Cb 0.00 0.32 -0.09 0.00 -1.03 0.00 0.00 34.95 34.15 2ki8 s ARG 14 CO 0.00 -0.30 1.11 -1.83 -1.13 0.00 0.00 175.30 173.15 2ki8 s GLU 15 N -3.93 4.47 -0.27 3.89 -1.05 -1.26 -5.03 118.70 115.52 2ki8 s GLU 15 Ca 0.12 1.78 -0.16 0.00 -0.15 0.00 0.00 54.97 56.57 2ki8 s GLU 15 Cb 0.05 -3.01 -0.03 0.00 -0.44 0.00 0.00 34.13 30.70 2ki8 s GLU 15 CO -0.05 0.07 0.41 0.54 0.95 0.00 0.00 175.26 177.18 2ki8 s ASN 16 N -1.00 6.30 0.65 0.83 4.22 -1.26 -5.07 114.94 119.60 2ki8 s ASN 16 Ca 0.48 0.33 -0.14 0.00 -2.14 0.00 0.00 52.86 51.40 2ki8 s ASN 16 Cb -0.31 -2.23 -0.01 0.00 1.28 0.00 0.00 41.25 39.99 2ki8 s ASN 16 CO 0.39 -0.22 1.07 -0.76 -2.04 0.00 0.00 177.10 175.54 2ki8 s LEU 17 N 2.14 3.34 -0.13 3.54 2.01 -1.26 -5.05 118.68 123.27 2ki8 s LEU 17 Ca 0.17 1.79 -0.07 0.00 0.01 0.00 0.00 54.13 56.02 2ki8 s LEU 17 Cb -0.16 -4.52 -0.04 0.00 0.01 0.00 0.00 46.19 41.48 2ki8 s LEU 17 CO 0.10 -1.39 0.13 -0.31 1.01 0.00 0.00 176.35 175.89 2ki8 s TYR 18 N -2.65 3.53 0.28 0.29 1.51 -1.26 -5.11 117.35 113.94 2ki8 s TYR 18 Ca 0.62 0.47 0.10 0.00 -1.01 0.00 0.00 57.07 57.25 2ki8 s TYR 18 Cb -0.16 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 2ki8 s TYR 18 CO 0.44 0.65 -0.05 -0.06 -1.11 0.00 0.00 175.55 175.41 2ki8 s PHE 19 N -0.80 2.58 0.01 2.71 0.08 -1.26 -5.09 117.98 116.20 2ki8 s PHE 19 Ca 0.14 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 2ki8 s PHE 19 Cb -0.12 -1.16 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 2ki8 s PHE 19 CO 0.03 0.64 1.38 -1.14 -0.10 0.00 0.00 175.22 176.03 2ki8 s GLN 20 N -3.63 4.29 7.13 0.44 0.74 -1.26 -4.85 119.66 122.52 2ki8 s GLN 20 Ca 0.31 1.95 0.00 0.00 0.05 0.00 0.00 55.36 57.68 2ki8 s GLN 20 Cb -0.06 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2ki8 s GLN 20 CO 0.19 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 2ki8 n GLY 21 N 3.60 2.25 2.64 2.59 0.00 -1.26 -4.50 105.19 110.51 2ki8 n GLY 21 Ca 0.13 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2ki8 n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ki8 n HIS 22 N 13.19 -2.89 -3.18 1.61 -0.00 -1.26 -5.14 115.22 117.55 2ki8 n HIS 22 Ca 0.00 -2.00 -0.37 0.00 0.46 0.00 0.00 57.72 55.81 2ki8 n HIS 22 Cb 0.00 1.09 -0.06 0.00 -0.12 0.00 0.00 29.99 30.90 2ki8 n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ki8 s MET 23 N 0.60 4.21 -0.14 1.57 0.23 -1.26 -4.85 119.30 119.66 2ki8 s MET 23 Ca 0.31 0.79 -0.12 0.00 -1.03 0.00 0.00 55.69 55.63 2ki8 s MET 23 Cb 0.01 -3.00 -0.05 0.00 -1.53 0.00 0.00 34.83 30.27 2ki8 s MET 23 CO -0.10 0.48 0.26 -0.51 -2.03 0.00 0.00 175.02 173.12 2ki8 s LEU 24 N -1.72 4.29 -0.48 0.18 1.43 -0.14 -4.89 118.68 117.34 2ki8 s LEU 24 Ca 0.38 0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 53.73 2ki8 s LEU 24 Cb -0.17 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.76 2ki8 s LEU 24 CO 0.21 0.18 1.02 -1.61 0.23 0.00 0.00 176.35 176.37 2ki8 s GLU 25 N 0.06 3.59 0.16 1.70 2.02 -1.26 -0.58 118.70 124.39 2ki8 s GLU 25 Ca 0.16 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.48 2ki8 s GLU 25 Cb -0.13 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.13 2ki8 s GLU 25 CO 0.04 -1.31 -0.07 0.14 0.02 0.00 0.00 175.26 174.08 2ki8 s VAL 26 N 4.07 1.03 -0.24 2.63 -7.23 -0.17 -4.78 120.40 115.71 2ki8 s VAL 26 Ca 0.41 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 2ki8 s VAL 26 Cb -0.09 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 2ki8 s VAL 26 CO 0.28 -0.65 0.22 -0.70 -0.31 0.00 0.00 175.10 173.94 2ki8 s GLU 27 N -3.80 4.06 -0.31 4.82 2.12 -0.93 0.21 118.70 124.86 2ki8 s GLU 27 Ca 0.19 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.16 2ki8 s GLU 27 Cb 0.04 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 2ki8 s GLU 27 CO 0.02 -0.02 0.50 0.08 -0.54 0.00 0.00 175.26 175.30 2ki8 s VAL 28 N 1.29 5.05 0.30 3.70 1.01 0.11 -0.54 120.40 131.32 2ki8 s VAL 28 Ca 0.10 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2ki8 s VAL 28 Cb -0.14 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2ki8 s VAL 28 CO 0.07 -0.08 0.34 -0.63 0.00 0.00 0.00 175.10 174.79 2ki8 s ILE 29 N 2.34 4.22 -0.09 2.22 1.01 -0.46 0.55 121.20 130.99 2ki8 s ILE 29 Ca 0.19 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2ki8 s ILE 29 Cb -0.15 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.91 2ki8 s ILE 29 CO 0.12 -0.24 -0.05 -0.55 0.00 0.00 0.00 174.94 174.22 2ki8 s SER 30 N -4.01 1.91 -0.10 3.58 0.15 -1.24 -0.62 113.70 113.37 2ki8 s SER 30 Ca 0.39 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 2ki8 s SER 30 Cb -0.08 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 2ki8 s SER 30 CO 0.28 -0.14 -0.07 -0.83 1.20 0.00 0.00 173.24 173.67 2ki8 s GLY 31 N 1.76 1.67 0.27 9.45 0.00 -0.99 -4.77 107.32 114.71 2ki8 s GLY 31 Ca 0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 2ki8 s GLY 31 CO -0.07 -0.42 1.81 -0.09 0.00 0.00 0.00 173.10 174.33 2ki8 h ARG 32 N 5.91 0.82 0.00 2.90 2.43 -1.92 0.33 114.38 124.85 2ki8 h ARG 32 Ca -0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2ki8 h ARG 32 Cb 1.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2ki8 h ARG 32 CO 0.56 0.54 0.00 0.25 -1.51 0.00 0.00 179.97 179.81 2ki8 n THR 33 N -4.72 0.00 -0.96 0.20 -2.24 -1.26 -4.58 114.28 100.72 2ki8 n THR 33 Ca 0.17 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 2ki8 n THR 33 Cb 0.36 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 0.00 -4.64 3.22 4.32 -1.26 -4.95 117.00 113.69 2ki8 n LEU 34 Ca 0.00 -0.73 -0.43 0.00 -0.02 0.00 0.00 56.01 54.83 2ki8 n LEU 34 Cb 0.00 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 41.17 2ki8 n LEU 34 CO 0.00 -1.59 1.25 0.54 -1.22 0.00 0.00 177.39 176.37 2ki8 s ASN 35 N -3.41 6.61 0.85 -1.43 4.22 -1.26 -4.89 114.94 115.63 2ki8 s ASN 35 Ca 0.43 1.61 0.00 0.00 -2.14 0.00 0.00 52.86 52.76 2ki8 s ASN 35 Cb -0.04 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.96 2ki8 s ASN 35 CO 0.33 -1.07 0.00 0.00 -2.04 0.00 0.00 177.10 174.32 2ki8 n GLN 36 N 7.29 -0.59 -3.87 3.55 1.13 -1.26 -4.80 117.38 118.83 2ki8 n GLN 36 Ca 0.17 0.39 -0.36 0.00 -1.94 0.00 0.00 57.00 55.25 2ki8 n GLN 36 Cb 0.45 -0.73 -0.07 0.00 0.11 0.00 0.00 30.24 30.01 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2ki8 s GLY 37 N -6.14 2.12 -0.03 1.08 0.00 -1.26 -4.99 107.32 98.10 2ki8 s GLY 37 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 44.72 43.76 2ki8 s GLY 37 CO 0.00 -0.27 1.25 0.00 0.00 0.00 0.00 173.10 174.08 2ki8 s ALA 38 N -0.73 -2.18 0.77 3.20 0.00 -1.26 -5.15 121.76 116.41 2ki8 s ALA 38 Ca 0.13 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 2ki8 s ALA 38 Cb -0.12 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.44 2ki8 s ALA 38 CO 0.03 -0.98 1.06 0.95 0.00 0.00 0.00 175.76 176.82 2ki8 s THR 39 N -2.48 2.14 0.44 0.00 -4.23 -1.26 -4.98 115.64 105.26 2ki8 s THR 39 Ca 0.13 -0.44 0.24 0.00 -1.18 0.00 0.00 61.69 60.44 2ki8 s THR 39 Cb 0.04 -2.70 0.26 0.00 1.34 0.00 0.00 72.50 71.44 2ki8 s THR 39 CO -0.04 0.00 2.06 -0.37 -0.54 0.00 0.00 174.62 175.73 2ki8 h VAL 40 N -0.76 0.72 0.00 2.29 -1.51 -1.98 -2.67 116.25 112.34 2ki8 h VAL 40 Ca -0.39 -0.53 -0.06 0.00 -1.23 0.00 0.00 66.70 64.49 2ki8 h VAL 40 Cb 1.26 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2ki8 h VAL 40 CO 0.42 0.13 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.28 2ki8 h GLU 41 N 0.00 0.00 0.00 5.19 5.08 -1.99 0.47 114.58 123.33 2ki8 h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ki8 h GLU 41 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ki8 h GLU 41 CO 0.02 0.28 -0.52 0.39 -1.00 0.00 0.00 179.01 178.17 2ki8 n GLU 42 N -3.80 0.19 -1.50 2.33 4.71 -1.02 -4.28 120.64 117.27 2ki8 n GLU 42 Ca -0.01 0.06 -0.01 0.00 -0.01 0.00 0.00 57.16 57.19 2ki8 n GLU 42 Cb 0.37 -1.63 0.09 0.00 -1.01 0.00 0.00 31.44 29.27 2ki8 n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2ki8 n LYS 43 N -1.91 1.51 -1.90 3.49 5.02 -0.30 -5.01 118.16 119.07 2ki8 n LYS 43 Ca 0.04 -3.11 -0.23 0.00 -2.02 0.00 0.00 58.31 52.99 2ki8 n LYS 43 Cb 0.40 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ki8 s LEU 44 N -2.42 2.94 0.02 -0.35 1.43 0.15 -4.60 118.68 115.85 2ki8 s LEU 44 Ca 0.37 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2ki8 s LEU 44 Cb 0.38 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 2ki8 s LEU 44 CO -0.07 -3.40 0.12 0.28 0.23 0.00 0.00 176.35 173.51 2ki8 s THR 45 N 12.39 0.11 0.53 5.49 -1.32 -1.26 -5.04 115.64 126.54 2ki8 s THR 45 Ca 0.75 -0.90 0.20 0.00 -1.21 0.00 0.00 61.69 60.53 2ki8 s THR 45 Cb -0.05 -0.68 0.31 0.00 -1.51 0.00 0.00 72.50 70.57 2ki8 s THR 45 CO 0.09 -0.49 2.11 -0.08 -2.21 0.00 0.00 174.62 174.03 2ki8 h GLU 46 N 3.93 0.00 -0.96 7.08 4.81 -2.01 -0.61 114.58 126.82 2ki8 h GLU 46 Ca -0.32 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2ki8 h GLU 46 Cb 1.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2ki8 h GLU 46 CO 0.46 0.00 0.64 1.49 -0.73 0.00 0.00 179.01 180.86 2ki8 h GLU 47 N 0.00 1.26 -0.50 1.92 4.81 -1.96 -1.85 114.58 118.27 2ki8 h GLU 47 Ca 0.08 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2ki8 h GLU 47 Cb 0.31 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2ki8 h GLU 47 CO -0.00 0.84 0.23 -0.92 -0.73 0.00 0.00 179.01 178.42 2ki8 h TYR 48 N 1.30 0.69 0.16 0.92 5.03 -1.36 -2.18 116.97 121.53 2ki8 h TYR 48 Ca 0.35 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.63 2ki8 h TYR 48 Cb -0.15 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 37.91 2ki8 h TYR 48 CO -0.00 0.52 -0.08 0.35 -1.32 0.00 0.00 178.16 177.63 2ki8 h PHE 49 N 0.70 -0.20 0.00 -3.82 3.57 -1.25 -1.96 116.94 113.99 2ki8 h PHE 49 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2ki8 h PHE 49 Cb 0.10 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2ki8 h PHE 49 CO 0.01 -0.12 0.00 -2.95 -2.23 0.00 0.00 178.31 173.01 2ki8 h ASN 50 N -0.23 0.00 0.04 0.41 7.08 -1.50 -2.03 115.58 119.35 2ki8 h ASN 50 Ca -0.02 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.14 2ki8 h ASN 50 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 2ki8 h ASN 50 CO 0.04 0.00 -0.28 0.00 -2.08 0.00 0.00 177.43 175.11 2ki8 h ALA 51 N 2.06 -0.01 -0.40 4.14 0.00 -1.29 -3.39 119.26 120.38 2ki8 h ALA 51 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ki8 h ALA 51 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ki8 h ALA 51 CO 0.00 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.72 2ki8 n VAL 52 N -4.47 0.54 0.05 0.00 0.24 -0.75 -4.45 118.33 109.49 2ki8 n VAL 52 Ca -0.12 -0.77 0.05 0.00 -2.04 0.00 0.00 64.34 61.46 2ki8 n VAL 52 Cb 0.58 0.95 0.23 0.00 -1.47 0.00 0.00 33.84 34.13 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 1.45 3.47 -4.18 -1.34 5.03 -0.80 -4.73 115.26 114.17 2ki8 n ASN 53 Ca 0.19 -2.42 -0.11 0.00 0.87 0.00 0.00 54.58 53.11 2ki8 n ASN 53 Cb 0.59 -0.54 -0.10 0.00 -1.02 0.00 0.00 39.78 38.72 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 -1.90 0.96 0.03 3.10 -0.85 -1.26 -0.34 117.35 117.09 2ki8 s TYR 54 Ca 0.32 -1.12 0.05 0.00 -0.52 0.00 0.00 57.07 55.80 2ki8 s TYR 54 Cb 0.23 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.99 2ki8 s TYR 54 CO 0.12 -0.37 -0.15 0.00 -1.52 0.00 0.00 175.55 173.63 2ki8 s ALA 55 N -3.86 1.29 -0.34 9.51 0.00 -0.17 -4.29 121.76 123.90 2ki8 s ALA 55 Ca 0.22 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 2ki8 s ALA 55 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2ki8 s ALA 55 CO 0.01 0.27 0.44 -1.21 0.00 0.00 0.00 175.76 175.27 2ki8 s GLU 56 N -0.96 3.64 0.11 0.00 2.02 0.45 -1.03 118.70 122.94 2ki8 s GLU 56 Ca 0.04 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 54.84 2ki8 s GLU 56 Cb -0.07 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 2ki8 s GLU 56 CO 0.01 -0.55 -0.03 0.42 0.02 0.00 0.00 175.26 175.13 2ki8 s ILE 57 N 2.20 3.79 0.65 -1.63 1.09 0.28 -2.06 121.20 125.52 2ki8 s ILE 57 Ca 0.15 -1.15 -0.15 0.00 -1.10 0.00 0.00 60.65 58.41 2ki8 s ILE 57 Cb -0.16 -2.82 -0.00 0.00 -1.06 0.00 0.00 42.46 38.42 2ki8 s ILE 57 CO 0.12 0.07 1.11 0.21 -0.10 0.00 0.00 174.94 176.35 2ki8 s ASN 58 N -2.41 5.18 0.16 3.58 3.84 -1.26 -2.28 114.94 121.74 2ki8 s ASN 58 Ca 0.25 1.99 -0.17 0.00 0.21 0.00 0.00 52.86 55.14 2ki8 s ASN 58 Cb -0.11 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.12 2ki8 s ASN 58 CO 0.17 -1.58 1.70 -0.08 -2.79 0.00 0.00 177.10 174.52 2ki8 h GLU 59 N 0.09 0.10 -0.29 0.43 4.57 -1.88 0.25 114.58 117.85 2ki8 h GLU 59 Ca -0.47 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.65 2ki8 h GLU 59 Cb 1.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2ki8 h GLU 59 CO 0.54 0.07 -0.06 0.93 -1.18 0.00 0.00 179.01 179.31 2ki8 h GLU 60 N 0.11 0.54 -0.36 1.92 4.39 -1.98 -2.75 114.58 116.45 2ki8 h GLU 60 Ca 0.17 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2ki8 h GLU 60 Cb 0.24 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2ki8 h GLU 60 CO -0.29 0.74 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.67 2ki8 h ASP 61 N 0.31 0.69 -0.06 1.42 3.32 -1.91 -1.44 116.42 118.75 2ki8 h ASP 61 Ca 0.07 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2ki8 h ASP 61 Cb 0.53 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 2ki8 h ASP 61 CO 0.03 0.87 -0.27 -0.25 -1.72 0.00 0.00 179.24 177.90 2ki8 h TRP 62 N 0.61 -0.73 0.00 4.55 2.91 -0.39 -1.57 115.95 121.33 2ki8 h TRP 62 Ca 0.09 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.04 2ki8 h TRP 62 Cb 0.66 0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 2ki8 h TRP 62 CO 0.03 -0.36 -0.48 -0.91 -1.03 0.00 0.00 178.44 175.70 2ki8 h ASN 63 N -0.38 0.00 -0.70 2.65 2.35 -1.44 -1.34 115.58 116.72 2ki8 h ASN 63 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2ki8 h ASN 63 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2ki8 h ASN 63 CO -0.28 0.48 0.40 0.00 -1.65 0.00 0.00 177.43 176.38 2ki8 h ALA 64 N 1.52 1.36 -0.00 -0.83 0.00 -0.66 -1.81 119.26 118.83 2ki8 h ALA 64 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ki8 h ALA 64 Cb 0.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ki8 h ALA 64 CO 0.06 0.53 -0.34 1.28 0.00 0.00 0.00 179.25 180.78 2ki8 n LEU 65 N -4.37 0.57 -2.64 0.00 4.77 -0.64 -4.97 117.00 109.72 2ki8 n LEU 65 Ca 0.07 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 2ki8 n LEU 65 Cb 0.09 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2ki8 n LEU 65 CO 0.38 0.12 0.10 0.61 -1.33 0.00 0.00 177.39 177.27 2ki8 n GLY 66 N 1.44 -0.09 3.86 -0.72 0.00 -0.68 -4.63 105.19 104.36 2ki8 n GLY 66 Ca 0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -5.06 3.95 0.06 0.99 1.43 -0.56 -5.02 118.68 114.47 2ki8 s LEU 67 Ca 0.12 1.20 0.09 0.00 -1.03 0.00 0.00 54.13 54.51 2ki8 s LEU 67 Cb -0.05 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 2ki8 s LEU 67 CO 0.50 -0.29 -0.26 -1.58 0.23 0.00 0.00 176.35 174.94 2ki8 s GLN 68 N -3.40 1.75 -0.27 1.70 0.74 -1.26 -4.83 119.66 114.09 2ki8 s GLN 68 Ca 0.53 -1.15 -0.31 0.00 0.05 0.00 0.00 55.36 54.48 2ki8 s GLN 68 Cb -0.10 -1.98 -0.08 0.00 1.10 0.00 0.00 33.01 31.95 2ki8 s GLN 68 CO 0.24 0.50 2.21 0.39 -0.55 0.00 0.00 175.29 178.08 2ki8 n GLU 69 N 1.58 1.61 0.00 1.67 1.02 -1.26 -0.35 120.64 124.90 2ki8 n GLU 69 Ca -0.17 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2ki8 n GLU 69 Cb 0.52 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 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 6.08 0.85 3.63 0.62 0.00 -0.99 -5.05 105.19 110.32 2ki8 n GLY 70 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2ki8 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ki8 s ASP 71 N -2.07 1.66 -0.22 1.61 -1.08 0.52 -4.62 116.67 112.48 2ki8 s ASP 71 Ca 0.00 0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 52.83 2ki8 s ASP 71 Cb 0.00 -1.31 -0.03 0.00 -1.46 0.00 0.00 42.92 40.12 2ki8 s ASP 71 CO 0.00 -3.69 0.06 -0.13 0.52 0.00 0.00 175.17 171.93 2ki8 s ARG 72 N -5.20 3.76 0.04 4.34 3.00 -1.26 -0.33 118.95 123.29 2ki8 s ARG 72 Ca 0.68 -0.44 0.08 0.00 0.00 0.00 0.00 55.73 56.06 2ki8 s ARG 72 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 34.95 31.51 2ki8 s ARG 72 CO 0.57 -0.02 -0.23 0.14 0.00 0.00 0.00 175.30 175.76 2ki8 s VAL 73 N 1.15 2.42 -0.08 3.52 -7.23 -0.08 -1.92 120.40 118.18 2ki8 s VAL 73 Ca 0.04 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2ki8 s VAL 73 Cb -0.14 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2ki8 s VAL 73 CO 0.03 0.36 0.30 -0.75 -0.31 0.00 0.00 175.10 174.74 2ki8 s LYS 74 N -1.30 3.88 -0.14 4.82 2.47 0.44 -1.56 119.74 128.35 2ki8 s LYS 74 Ca 0.13 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.71 2ki8 s LYS 74 Cb -0.10 -3.27 0.02 0.00 -1.46 0.00 0.00 37.83 33.02 2ki8 s LYS 74 CO 0.03 0.59 -0.14 0.08 0.16 0.00 0.00 175.35 176.07 2ki8 s VAL 75 N -0.61 1.52 -0.05 4.02 1.01 -0.03 -1.39 120.40 124.86 2ki8 s VAL 75 Ca 0.19 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2ki8 s VAL 75 Cb -0.14 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2ki8 s VAL 75 CO 0.08 0.45 -0.11 -0.54 0.00 0.00 0.00 175.10 174.98 2ki8 s LYS 76 N 1.44 1.43 0.09 2.72 1.02 -0.22 -1.14 119.74 125.07 2ki8 s LYS 76 Ca 0.03 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.66 2ki8 s LYS 76 Cb -0.13 -1.23 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2ki8 s LYS 76 CO -0.09 0.07 0.05 0.25 -0.92 0.00 0.00 175.35 174.71 2ki8 n THR 77 N 3.62 0.00 0.85 2.17 -2.24 -0.08 0.43 114.28 119.02 2ki8 n THR 77 Ca -0.21 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.07 2ki8 n THR 77 Cb 0.52 0.25 0.46 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.18 0.24 -0.11 -0.78 0.28 -1.26 -3.43 120.64 115.39 2ki8 n GLU 78 Ca 0.00 0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.91 2ki8 n GLU 78 Cb 0.15 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.43 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 -1.31 0.44 -3.12 -1.84 3.72 -1.26 -5.12 117.46 108.97 2ki8 n PHE 79 Ca 0.08 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 2ki8 n PHE 79 Cb 0.15 -0.93 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 1.38 0.91 3.07 1.37 0.00 -0.62 -4.96 105.19 106.35 2ki8 n GLY 80 Ca -0.36 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 2ki8 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ki8 s GLU 81 N 0.22 0.56 0.03 1.61 1.03 -1.25 -0.91 118.70 119.99 2ki8 s GLU 81 Ca 0.00 -0.78 -0.06 0.00 0.03 0.00 0.00 54.97 54.16 2ki8 s GLU 81 Cb 0.00 -0.33 -0.01 0.00 -0.80 0.00 0.00 34.13 32.99 2ki8 s GLU 81 CO 0.00 0.06 0.10 0.54 -1.33 0.00 0.00 175.26 174.63 2ki8 s VAL 82 N -1.42 0.12 -0.20 1.83 0.11 -0.29 -4.93 120.40 115.61 2ki8 s VAL 82 Ca -0.09 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 57.94 2ki8 s VAL 82 Cb -0.10 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2ki8 s VAL 82 CO 0.00 -0.55 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.47 2ki8 s VAL 83 N -2.29 3.24 0.31 2.04 1.01 -1.26 -0.85 120.40 122.59 2ki8 s VAL 83 Ca -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2ki8 s VAL 83 Cb -0.03 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2ki8 s VAL 83 CO -0.03 0.45 0.11 0.68 0.00 0.00 0.00 175.10 176.31 2ki8 s VAL 84 N 1.26 0.63 0.42 2.92 -7.23 -0.60 -2.23 120.40 115.56 2ki8 s VAL 84 Ca 0.03 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.96 2ki8 s VAL 84 Cb -0.14 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 2ki8 s VAL 84 CO -0.03 0.00 1.08 -0.36 -0.31 0.00 0.00 175.10 175.49 2ki8 s PHE 85 N -3.54 3.16 -0.28 2.82 0.08 0.54 -0.91 117.98 119.85 2ki8 s PHE 85 Ca 0.35 1.61 -0.14 0.00 0.12 0.00 0.00 56.93 58.86 2ki8 s PHE 85 Cb 0.06 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 2ki8 s PHE 85 CO 0.15 -0.88 0.35 0.00 -0.10 0.00 0.00 175.22 174.75 2ki8 s ALA 86 N -1.63 3.55 0.14 5.36 0.00 0.55 -1.00 121.76 128.73 2ki8 s ALA 86 Ca 0.59 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.76 2ki8 s ALA 86 Cb -0.24 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2ki8 s ALA 86 CO 0.30 -0.69 -0.20 0.15 0.00 0.00 0.00 175.76 175.32 2ki8 s LYS 87 N 2.03 1.23 -0.35 0.00 1.02 -0.20 -2.35 119.74 121.13 2ki8 s LYS 87 Ca 0.14 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.65 2ki8 s LYS 87 Cb -0.16 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2ki8 s LYS 87 CO 0.10 0.30 0.41 0.21 -0.92 0.00 0.00 175.35 175.46 2ki8 s LYS 88 N -2.42 3.55 0.00 1.68 2.20 -1.26 -0.56 119.74 122.94 2ki8 s LYS 88 Ca 0.12 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2ki8 s LYS 88 Cb -0.08 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2ki8 s LYS 88 CO 0.06 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2ki8 n GLY 89 N 4.92 5.69 1.59 5.54 0.00 -0.97 -4.84 105.19 117.12 2ki8 n GLY 89 Ca -0.08 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.22 4.05 -4.83 1.61 9.92 -1.26 -4.78 116.55 121.05 2ki8 n ASP 90 Ca 0.00 -2.80 -0.36 0.00 -0.53 0.00 0.00 54.79 51.11 2ki8 n ASP 90 Cb 0.00 -0.66 -0.06 0.00 -0.64 0.00 0.00 41.12 39.76 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 -2.24 4.67 0.99 2.53 -7.23 -1.26 -5.08 120.40 112.78 2ki8 s VAL 91 Ca 0.38 1.12 -0.15 0.00 -1.81 0.00 0.00 61.98 61.52 2ki8 s VAL 91 Cb 0.30 -3.81 0.19 0.00 0.56 0.00 0.00 36.38 33.62 2ki8 s VAL 91 CO 0.10 0.22 1.20 -2.16 -0.31 0.00 0.00 175.10 174.15 2ki8 s PRO 92 N -1.97 0.46 0.10 4.82 0.04 -1.26 -4.38 135.00 132.81 2ki8 s PRO 92 Ca 0.41 -0.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.07 2ki8 s PRO 92 Cb -0.16 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 2ki8 s PRO 92 CO 0.20 -2.59 1.76 1.17 0.04 0.00 0.00 177.00 177.58 2ki8 n LYS 93 N -3.97 2.48 -2.06 4.56 3.00 -1.26 -2.18 118.16 118.73 2ki8 n LYS 93 Ca 0.11 0.90 -0.07 0.00 -0.00 0.00 0.00 58.31 59.25 2ki8 n LYS 93 Cb 0.59 -2.75 -0.01 0.00 0.00 0.00 0.00 35.03 32.87 2ki8 n LYS 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ki8 n GLY 94 N 4.00 0.15 3.20 3.14 0.00 -1.26 -5.03 105.19 109.38 2ki8 n GLY 94 Ca 0.18 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.21 0.37 0.05 1.61 0.00 -0.93 -2.20 119.30 113.98 2ki8 s MET 95 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 55.69 56.17 2ki8 s MET 95 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 2ki8 s MET 95 CO 0.00 -0.05 -0.10 0.96 0.00 0.00 0.00 175.02 175.84 2ki8 s ILE 96 N 0.19 0.73 -0.15 10.11 -4.36 0.30 -4.33 121.20 123.69 2ki8 s ILE 96 Ca -0.00 -1.07 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 2ki8 s ILE 96 Cb -0.02 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 2ki8 s ILE 96 CO 0.00 -0.27 -0.04 0.12 0.24 0.00 0.00 174.94 175.00 2ki8 s PHE 97 N -1.21 3.02 -0.09 1.37 5.36 -0.87 -1.35 117.98 124.21 2ki8 s PHE 97 Ca -0.06 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 2ki8 s PHE 97 Cb -0.09 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2ki8 s PHE 97 CO 0.01 -0.02 -0.19 0.42 -1.46 0.00 0.00 175.22 173.97 2ki8 s ILE 98 N 0.32 1.71 0.42 3.12 1.01 0.21 -0.41 121.20 127.59 2ki8 s ILE 98 Ca -0.04 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2ki8 s ILE 98 Cb -0.14 -1.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.73 2ki8 s ILE 98 CO 0.03 0.48 1.33 -2.65 0.00 0.00 0.00 174.94 174.13 2ki8 n PRO 99 N 3.68 2.07 -1.58 2.79 -0.02 -1.26 -2.34 135.00 138.34 2ki8 n PRO 99 Ca -0.20 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2ki8 n PRO 99 Cb 0.52 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2ki8 n PRO 99 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2ki8 n MET 100 N 0.04 1.64 -3.04 -0.52 1.56 0.11 -4.48 117.12 112.44 2ki8 n MET 100 Ca 0.06 0.36 -0.02 0.00 -0.27 0.00 0.00 57.70 57.83 2ki8 n MET 100 Cb 0.40 -3.26 0.01 0.00 2.15 0.00 0.00 33.22 32.52 2ki8 n MET 100 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ki8 n GLY 101 N 5.89 0.84 0.35 -5.12 0.00 -1.26 -4.93 105.19 100.95 2ki8 n GLY 101 Ca 0.33 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 0.53 0.14 1.61 0.13 -1.92 0.19 132.00 132.68 2ki8 h PRO 102 Ca -0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2ki8 h PRO 102 Cb 0.79 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2ki8 h PRO 102 CO 0.24 0.35 -0.07 1.88 -0.23 0.00 0.00 178.00 180.18 2ki8 h TYR 103 N 0.55 -0.17 -0.53 1.56 -1.99 -1.91 -2.59 116.97 111.89 2ki8 h TYR 103 Ca 0.27 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.96 2ki8 h TYR 103 Cb 0.36 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 2ki8 h TYR 103 CO -0.00 -0.03 0.18 0.00 -0.00 0.00 0.00 178.16 178.31 2ki8 h ALA 104 N 0.58 1.32 -0.13 3.88 0.00 -1.55 -2.52 119.26 120.84 2ki8 h ALA 104 Ca -0.02 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ki8 h ALA 104 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ki8 h ALA 104 CO 0.03 0.50 0.19 -0.97 0.00 0.00 0.00 179.25 179.00 2ki8 h ASN 105 N 0.77 0.00 1.28 0.00 -1.24 -0.29 0.29 115.58 116.38 2ki8 h ASN 105 Ca 0.18 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 2ki8 h ASN 105 Cb 0.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 2ki8 h ASN 105 CO -0.01 0.00 -0.15 0.24 -1.29 0.00 0.00 177.43 176.22 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.11 -3.37 114.93 119.98 2ki8 h MET 106 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2ki8 h MET 106 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2ki8 h MET 106 CO -0.00 0.15 -0.72 1.33 1.06 0.00 0.00 176.91 178.72 2ki8 n VAL 107 N -3.22 0.00 -2.81 -2.22 0.24 0.06 -1.58 118.33 108.80 2ki8 n VAL 107 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 2ki8 n VAL 107 Cb 0.46 0.24 0.09 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.14 0.00 -3.75 1.34 -5.35 0.79 -4.61 119.36 106.64 2ki8 n ILE 108 Ca 0.00 -1.69 -0.37 0.00 -0.27 0.00 0.00 62.75 60.42 2ki8 n ILE 108 Cb 0.04 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 37.08 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 -4.74 5.16 -0.01 7.28 2.15 -1.26 -4.88 116.67 120.36 2ki8 s ASP 109 Ca 0.62 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.20 2ki8 s ASP 109 Cb -0.04 -1.92 0.03 0.00 -0.30 0.00 0.00 42.92 40.69 2ki8 s ASP 109 CO 0.40 -0.10 0.57 -0.81 -0.17 0.00 0.00 175.17 175.05 2ki8 n PRO 110 N 4.91 1.13 -0.56 4.34 -0.04 -1.26 -3.78 135.00 139.74 2ki8 n PRO 110 Ca -0.15 -0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.28 2ki8 n PRO 110 Cb 0.50 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.79 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ki8 n SER 111 N -0.00 4.36 -4.63 3.54 2.88 -1.26 -4.95 113.62 113.56 2ki8 n SER 111 Ca 0.01 -2.41 -0.43 0.00 -1.33 0.00 0.00 58.87 54.72 2ki8 n SER 111 Cb 0.27 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 2ki8 n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2ki8 s THR 112 N -1.83 3.38 -0.55 2.46 -4.23 -1.25 -4.93 115.64 108.70 2ki8 s THR 112 Ca 0.46 0.43 -0.28 0.00 -1.18 0.00 0.00 61.69 61.12 2ki8 s THR 112 Cb 0.30 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2ki8 s THR 112 CO 0.22 -0.17 1.56 -1.81 -0.54 0.00 0.00 174.62 173.89 2ki8 s ASP 113 N 5.29 5.90 0.00 3.99 1.11 -1.26 -4.97 116.67 126.73 2ki8 s ASP 113 Ca 0.82 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.96 2ki8 s ASP 113 Cb -0.31 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.14 2ki8 s ASP 113 CO 0.33 -1.87 0.00 0.61 1.18 0.00 0.00 175.17 175.42 2ki8 n GLY 114 N 5.39 0.85 4.89 0.21 0.00 -1.26 -4.73 105.19 110.53 2ki8 n GLY 114 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2ki8 n GLY 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ki8 n THR 115 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.53 114.28 110.06 2ki8 n THR 115 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ki8 n THR 115 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ki8 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ki8 n GLY 116 N 0.00 0.23 3.58 3.41 0.00 -1.26 -5.10 105.19 106.06 2ki8 n GLY 116 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N 0.61 2.71 -0.31 1.61 -1.94 -1.26 -5.10 119.30 115.62 2ki8 s MET 117 Ca 0.00 -0.58 -0.24 0.00 -1.71 0.00 0.00 55.69 53.16 2ki8 s MET 117 Cb 0.00 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.27 2ki8 s MET 117 CO 0.00 0.65 0.82 -1.25 -0.01 0.00 0.00 175.02 175.24 2ki8 s PRO 118 N -0.92 3.97 -0.03 2.03 0.04 -1.26 -4.90 135.00 133.93 2ki8 s PRO 118 Ca 0.13 0.64 0.01 0.00 0.04 0.00 0.00 61.00 61.82 2ki8 s PRO 118 Cb -0.11 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 2ki8 s PRO 118 CO 0.02 -0.71 -0.02 -0.65 0.04 0.00 0.00 177.00 175.69 2ki8 s GLN 119 N 3.04 2.81 0.00 4.56 -0.21 -1.26 -5.01 119.66 123.60 2ki8 s GLN 119 Ca 0.34 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.16 2ki8 s GLN 119 Cb -0.14 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.20 2ki8 s GLN 119 CO 0.13 0.65 0.68 1.97 -2.12 0.00 0.00 175.29 176.60 2ki8 n PHE 120 N 1.74 0.00 -2.51 0.91 -1.74 -1.26 -4.78 117.46 109.82 2ki8 n PHE 120 Ca -0.16 -0.31 -0.41 0.00 -0.56 0.00 0.00 57.45 56.01 2ki8 n PHE 120 Cb 0.53 -0.19 -0.03 0.00 1.52 0.00 0.00 39.48 41.31 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 0.07 3.17 0.50 3.97 3.01 -1.26 -5.00 119.74 124.20 2ki8 s LYS 121 Ca 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 55.97 54.71 2ki8 s LYS 121 Cb 0.00 -4.27 -0.01 0.00 -1.01 0.00 0.00 37.83 32.55 2ki8 s LYS 121 CO 0.00 -2.20 0.76 0.20 0.51 0.00 0.00 175.35 174.62 2ki8 s GLY 122 N 4.16 1.55 -0.28 -3.33 0.00 -1.26 -4.89 107.32 103.26 2ki8 s GLY 122 Ca 0.38 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 2ki8 s GLY 122 CO 0.14 -0.62 0.44 0.14 0.00 0.00 0.00 173.10 173.20 2ki8 s VAL 123 N -2.72 5.12 0.64 1.40 1.01 0.19 -4.79 120.40 121.24 2ki8 s VAL 123 Ca 0.49 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 2ki8 s VAL 123 Cb -0.10 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2ki8 s VAL 123 CO 0.42 0.07 1.16 -0.75 0.00 0.00 0.00 175.10 176.00 2ki8 s LYS 124 N 2.20 2.75 0.00 2.72 2.20 -1.26 0.05 119.74 128.40 2ki8 s LYS 124 Ca 0.18 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 2ki8 s LYS 124 Cb -0.16 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2ki8 s LYS 124 CO 0.10 -1.33 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 2ki8 n GLY 125 N 0.07 1.71 3.11 5.54 0.00 0.13 -4.58 105.19 111.17 2ki8 n GLY 125 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.09 0.20 -0.02 2.61 -4.23 0.17 -1.00 115.64 113.29 2ki8 s THR 126 Ca 0.00 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2ki8 s THR 126 Cb 0.00 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.33 2ki8 s THR 126 CO 0.00 -0.93 0.09 0.54 -0.54 0.00 0.00 174.62 173.78 2ki8 s VAL 127 N -3.92 0.04 0.20 2.29 0.11 0.25 -1.06 120.40 118.31 2ki8 s VAL 127 Ca 0.07 -0.36 -0.17 0.00 -2.93 0.00 0.00 61.98 58.60 2ki8 s VAL 127 Cb 0.08 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 2ki8 s VAL 127 CO -0.10 -0.20 0.51 -1.83 -3.33 0.00 0.00 175.10 170.15 2ki8 s GLU 128 N -0.62 1.38 0.28 1.54 -1.05 -0.49 -0.97 118.70 118.76 2ki8 s GLU 128 Ca -0.07 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.55 2ki8 s GLU 128 Cb -0.04 0.51 -0.10 0.00 -0.44 0.00 0.00 34.13 34.06 2ki8 s GLU 128 CO 0.00 -0.58 1.22 0.21 0.95 0.00 0.00 175.26 177.07 2ki8 s LYS 129 N -3.89 4.48 0.00 -4.83 2.47 -1.26 -0.42 119.74 116.30 2ki8 s LYS 129 Ca 0.10 2.01 -0.07 0.00 -1.56 0.00 0.00 55.97 56.46 2ki8 s LYS 129 Cb -0.01 -3.15 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2ki8 s LYS 129 CO -0.02 -0.04 0.13 -0.08 0.16 0.00 0.00 175.35 175.50 2ki8 s THR 130 N -0.88 0.08 -1.67 3.43 -1.32 -0.81 -4.76 115.64 109.72 2ki8 s THR 130 Ca 0.49 -0.69 0.26 0.00 -1.21 0.00 0.00 61.69 60.54 2ki8 s THR 130 Cb -0.36 -0.42 0.24 0.00 -1.51 0.00 0.00 72.50 70.45 2ki8 s THR 130 CO 0.45 -0.38 1.55 0.47 -2.21 0.00 0.00 174.62 174.50 2ki8 n ASP 131 N 1.47 0.96 -4.61 8.08 9.92 -1.26 -4.41 116.55 126.70 2ki8 n ASP 131 Ca -0.23 -0.82 -0.29 0.00 -0.53 0.00 0.00 54.79 52.92 2ki8 n ASP 131 Cb 0.56 0.15 0.19 0.00 -0.64 0.00 0.00 41.12 41.38 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ki8 s GLU 132 N -2.55 0.27 0.30 -1.24 2.02 -1.26 -5.03 118.70 111.21 2ki8 s GLU 132 Ca 0.23 1.02 -0.04 0.00 0.02 0.00 0.00 54.97 56.20 2ki8 s GLU 132 Cb 0.19 -1.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 2ki8 s GLU 132 CO 0.54 -2.97 0.56 -1.59 0.02 0.00 0.00 175.26 171.82 2ki8 s LYS 133 N -4.66 3.61 0.16 1.61 -2.85 -1.26 -4.89 119.74 111.46 2ki8 s LYS 133 Ca 0.66 -0.03 -0.32 0.00 -1.00 0.00 0.00 55.97 55.29 2ki8 s LYS 133 Cb -0.22 -2.64 -0.12 0.00 -2.06 0.00 0.00 37.83 32.79 2ki8 s LYS 133 CO 0.60 0.19 1.75 0.28 0.10 0.00 0.00 175.35 178.28 2ki8 n VAL 134 N -1.07 0.17 -2.13 1.79 0.31 -1.26 -4.72 118.33 111.40 2ki8 n VAL 134 Ca -0.02 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 2ki8 n VAL 134 Cb 0.54 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 2ki8 n VAL 134 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ki8 s LEU 135 N 1.86 3.20 0.29 7.52 0.20 -0.95 -4.93 118.68 125.88 2ki8 s LEU 135 Ca 0.79 -1.12 -0.26 0.00 0.69 0.00 0.00 54.13 54.23 2ki8 s LEU 135 Cb -0.53 -2.57 -0.15 0.00 -0.43 0.00 0.00 46.19 42.51 2ki8 s LEU 135 CO 0.36 -2.63 0.65 -1.20 -0.29 0.00 0.00 176.35 173.24 2ki8 n SER 136 N 13.27 -0.49 -0.26 3.68 7.64 -1.26 -4.33 113.62 131.87 2ki8 n SER 136 Ca 0.41 1.07 0.01 0.00 1.01 0.00 0.00 58.87 61.38 2ki8 n SER 136 Cb 0.47 -1.09 0.08 0.00 -1.01 0.00 0.00 64.21 62.67 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 1.21 0.25 -0.22 0.44 2.07 -1.99 0.30 116.25 118.31 2ki8 h VAL 137 Ca -0.35 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 2ki8 h VAL 137 Cb 1.40 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2ki8 h VAL 137 CO 0.56 0.00 -0.30 0.50 0.02 0.00 0.00 177.57 178.35 2ki8 h LYS 138 N -0.00 0.59 -0.88 1.57 3.64 -2.00 -2.59 116.57 116.89 2ki8 h LYS 138 Ca 0.35 -0.34 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2ki8 h LYS 138 Cb 0.54 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2ki8 h LYS 138 CO -0.76 0.94 0.52 1.49 -2.27 0.00 0.00 179.45 179.38 2ki8 h GLU 139 N 0.28 0.84 -0.72 1.90 4.57 -1.33 -0.60 114.58 119.52 2ki8 h GLU 139 Ca 0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2ki8 h GLU 139 Cb 0.87 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2ki8 h GLU 139 CO 0.07 0.56 0.40 1.25 -1.18 0.00 0.00 179.01 180.11 2ki8 h LEU 140 N 0.87 0.89 -0.54 1.64 6.46 -0.41 0.26 115.31 124.47 2ki8 h LEU 140 Ca 0.43 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 58.14 2ki8 h LEU 140 Cb 0.39 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 2ki8 h LEU 140 CO -0.25 0.71 0.34 -0.07 -0.62 0.00 0.00 178.44 178.55 2ki8 h LEU 141 N 1.01 0.57 -0.35 2.25 3.38 -0.71 -2.27 115.31 119.19 2ki8 h LEU 141 Ca 0.26 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 2ki8 h LEU 141 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2ki8 h LEU 141 CO -0.04 0.41 -0.80 -0.33 0.09 0.00 0.00 178.44 177.76 2ki8 h GLU 142 N 0.69 0.00 -0.92 1.13 5.08 -1.07 -3.00 114.58 116.48 2ki8 h GLU 142 Ca 0.21 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2ki8 h GLU 142 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2ki8 h GLU 142 CO -0.07 0.80 0.61 0.00 -1.00 0.00 0.00 179.01 179.36 2ki8 h ALA 143 N 1.20 1.34 0.00 3.43 0.00 -0.01 -1.36 119.26 123.86 2ki8 h ALA 143 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ki8 h ALA 143 Cb 1.44 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ki8 h ALA 143 CO 0.10 0.61 0.00 0.44 0.00 0.00 0.00 179.25 180.40 2ki8 n ILE 144 N -4.40 0.21 0.00 0.00 -6.64 -0.90 -4.96 119.36 102.68 2ki8 n ILE 144 Ca 0.11 -0.06 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 2ki8 n ILE 144 Cb 0.02 -0.55 0.00 0.00 -1.44 0.00 0.00 39.64 37.67 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 1.37 2.62 3.65 3.28 0.00 -0.51 -5.13 105.19 110.46 2ki8 n GLY 145 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06