#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 0.85 3.65 3.03 0.00 -1.26 -5.12 105.19 106.33 2ki8 n GLY 2 Ca 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.74 -0.35 0.96 1.61 1.04 -1.26 -5.18 113.70 109.77 2ki8 s SER 3 Ca 0.00 0.57 -0.13 0.00 0.48 0.00 0.00 55.95 56.87 2ki8 s SER 3 Cb 0.00 1.10 0.17 0.00 0.10 0.00 0.00 66.02 67.39 2ki8 s SER 3 CO 0.00 -0.09 1.15 -0.94 0.98 0.00 0.00 173.24 174.33 2ki8 s SER 4 N 1.15 3.08 -0.15 7.02 1.04 -1.26 -5.08 113.70 119.50 2ki8 s SER 4 Ca -0.08 0.89 -0.04 0.00 0.48 0.00 0.00 55.95 57.20 2ki8 s SER 4 Cb -0.03 -1.39 0.06 0.00 0.10 0.00 0.00 66.02 64.76 2ki8 s SER 4 CO -0.13 -2.81 0.12 -2.28 0.98 0.00 0.00 173.24 169.12 2ki8 s HIS 5 N -3.27 0.05 -0.12 5.02 5.65 -1.26 -5.14 115.29 116.23 2ki8 s HIS 5 Ca 0.66 -0.04 -0.00 0.00 0.25 0.00 0.00 55.06 55.92 2ki8 s HIS 5 Cb -0.14 -0.56 0.02 0.00 -1.18 0.00 0.00 32.58 30.73 2ki8 s HIS 5 CO 0.54 -0.46 -0.08 -1.01 -0.65 0.00 0.00 174.74 173.08 2ki8 s HIS 6 N 2.19 1.56 -0.12 3.88 0.09 -1.26 -5.12 115.29 116.52 2ki8 s HIS 6 Ca 0.03 -0.79 -0.05 0.00 -0.00 0.00 0.00 55.06 54.26 2ki8 s HIS 6 Cb -0.15 -1.27 0.05 0.00 -0.00 0.00 0.00 32.58 31.21 2ki8 s HIS 6 CO -0.08 -0.53 0.25 -1.01 -0.00 0.00 0.00 174.74 173.37 2ki8 s HIS 7 N 1.68 -0.37 -0.05 1.40 0.09 -1.26 -5.16 115.29 111.61 2ki8 s HIS 7 Ca 0.05 0.87 -0.11 0.00 -0.00 0.00 0.00 55.06 55.87 2ki8 s HIS 7 Cb -0.13 0.00 0.02 0.00 -0.00 0.00 0.00 32.58 32.48 2ki8 s HIS 7 CO -0.08 -0.29 0.27 -1.01 -0.00 0.00 0.00 174.74 173.63 2ki8 s HIS 8 N 1.81 -0.20 -0.16 1.40 4.02 -1.26 -5.17 115.29 115.72 2ki8 s HIS 8 Ca -0.04 0.43 -0.15 0.00 1.02 0.00 0.00 55.06 56.32 2ki8 s HIS 8 Cb -0.11 0.08 0.04 0.00 -1.02 0.00 0.00 32.58 31.57 2ki8 s HIS 8 CO -0.08 -0.26 0.44 -1.58 1.02 0.00 0.00 174.74 174.27 2ki8 s HIS 9 N -0.66 -0.49 0.01 1.40 5.65 -1.26 -5.18 115.29 114.77 2ki8 s HIS 9 Ca -0.08 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.41 2ki8 s HIS 9 Cb -0.04 0.17 -0.01 0.00 -1.18 0.00 0.00 32.58 31.52 2ki8 s HIS 9 CO 0.02 -0.24 -0.02 -1.58 -0.65 0.00 0.00 174.74 172.27 2ki8 s HIS 10 N 0.29 0.20 0.47 3.88 5.65 -1.26 -5.17 115.29 119.35 2ki8 s HIS 10 Ca -0.00 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.07 2ki8 s HIS 10 Cb -0.03 -0.13 -0.03 0.00 -1.18 0.00 0.00 32.58 31.20 2ki8 s HIS 10 CO -0.00 -0.09 0.01 0.45 -0.65 0.00 0.00 174.74 174.47 2ki8 s SER 11 N -0.73 3.96 0.71 9.88 0.15 -1.26 -5.17 113.70 121.25 2ki8 s SER 11 Ca -0.07 -1.57 0.02 0.00 0.70 0.00 0.00 55.95 55.03 2ki8 s SER 11 Cb -0.05 0.25 0.13 0.00 -1.71 0.00 0.00 66.02 64.64 2ki8 s SER 11 CO -0.00 -0.74 0.98 -0.55 1.20 0.00 0.00 173.24 174.13 2ki8 s SER 12 N -3.81 4.38 0.00 5.45 0.15 -1.26 -5.13 113.70 113.49 2ki8 s SER 12 Ca 0.16 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2ki8 s SER 12 Cb 0.04 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2ki8 s SER 12 CO 0.08 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.27 2ki8 n GLY 13 N -2.76 1.19 3.78 9.45 0.00 -1.26 -5.17 105.19 110.43 2ki8 n GLY 13 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 2.00 2.20 0.46 1.61 3.03 -1.26 -5.16 118.95 121.83 2ki8 s ARG 14 Ca 0.00 -2.37 0.08 0.00 2.03 0.00 0.00 55.73 55.47 2ki8 s ARG 14 Cb 0.00 -1.59 0.02 0.00 -1.03 0.00 0.00 34.95 32.36 2ki8 s ARG 14 CO 0.00 -0.39 0.57 -1.21 -1.13 0.00 0.00 175.30 173.14 2ki8 s GLU 15 N -3.92 2.63 -0.26 3.89 8.01 -1.26 -5.11 118.70 122.68 2ki8 s GLU 15 Ca 0.08 -1.42 -0.07 0.00 0.01 0.00 0.00 54.97 53.57 2ki8 s GLU 15 Cb 0.01 -2.63 -0.02 0.00 -4.31 0.00 0.00 34.13 27.19 2ki8 s GLU 15 CO 0.05 -0.39 0.06 1.21 0.01 0.00 0.00 175.26 176.20 2ki8 s ASN 16 N -4.37 5.06 0.76 -0.19 3.84 -1.26 -5.11 114.94 113.67 2ki8 s ASN 16 Ca 0.54 -0.37 -0.12 0.00 0.21 0.00 0.00 52.86 53.12 2ki8 s ASN 16 Cb -0.07 -1.90 0.05 0.00 -0.55 0.00 0.00 41.25 38.78 2ki8 s ASN 16 CO 0.33 -0.08 1.13 -0.76 -2.79 0.00 0.00 177.10 174.92 2ki8 s LEU 17 N 1.57 2.71 0.01 3.21 2.01 -1.26 -5.04 118.68 121.89 2ki8 s LEU 17 Ca 0.05 1.02 -0.22 0.00 0.01 0.00 0.00 54.13 55.00 2ki8 s LEU 17 Cb -0.16 -3.68 -0.05 0.00 0.01 0.00 0.00 46.19 42.31 2ki8 s LEU 17 CO 0.03 -1.63 0.64 -0.31 1.01 0.00 0.00 176.35 176.09 2ki8 s TYR 18 N -3.42 3.70 -0.57 0.29 1.51 -1.26 -5.04 117.35 112.57 2ki8 s TYR 18 Ca 0.60 1.27 -0.19 0.00 -1.01 0.00 0.00 57.07 57.74 2ki8 s TYR 18 Cb -0.11 -2.66 0.09 0.00 -0.11 0.00 0.00 41.96 39.17 2ki8 s TYR 18 CO 0.51 0.34 0.68 0.12 -1.11 0.00 0.00 175.55 176.08 2ki8 s PHE 19 N -0.18 3.02 -0.84 2.71 5.36 -1.26 -5.02 117.98 121.77 2ki8 s PHE 19 Ca 0.33 -0.87 -0.19 0.00 -0.96 0.00 0.00 56.93 55.24 2ki8 s PHE 19 Cb -0.19 -3.88 0.12 0.00 -0.34 0.00 0.00 43.02 38.73 2ki8 s PHE 19 CO 0.19 -1.22 1.03 -1.14 -1.46 0.00 0.00 175.22 172.61 2ki8 s GLN 20 N 2.63 3.45 -0.07 10.12 0.74 -1.26 -4.98 119.66 130.29 2ki8 s GLN 20 Ca 0.12 -1.59 -0.02 0.00 0.05 0.00 0.00 55.36 53.92 2ki8 s GLN 20 Cb -0.23 -4.69 0.03 0.00 1.10 0.00 0.00 33.01 29.22 2ki8 s GLN 20 CO 0.07 -1.72 0.03 0.20 -0.55 0.00 0.00 175.29 173.32 2ki8 s GLY 21 N 3.54 0.38 -1.11 2.59 0.00 -1.26 -5.08 107.32 106.38 2ki8 s GLY 21 Ca 0.27 -0.04 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 2ki8 s GLY 21 CO -0.04 1.27 1.51 -1.58 0.00 0.00 0.00 173.10 174.26 2ki8 s HIS 22 N 2.05 2.73 0.71 1.90 2.46 -1.26 -4.99 115.29 118.88 2ki8 s HIS 22 Ca 0.05 -1.22 -0.10 0.00 0.47 0.00 0.00 55.06 54.25 2ki8 s HIS 22 Cb -0.13 -4.65 0.04 0.00 -0.13 0.00 0.00 32.58 27.71 2ki8 s HIS 22 CO -0.05 -1.82 1.06 0.00 -2.47 0.00 0.00 174.74 171.47 2ki8 s MET 23 N 4.30 2.56 -0.02 2.88 0.23 -1.26 -4.84 119.30 123.14 2ki8 s MET 23 Ca 0.47 0.17 0.07 0.00 -1.03 0.00 0.00 55.69 55.37 2ki8 s MET 23 Cb 0.01 -2.08 -0.02 0.00 -1.53 0.00 0.00 34.83 31.21 2ki8 s MET 23 CO -0.04 -1.13 -0.23 -0.51 -2.03 0.00 0.00 175.02 171.08 2ki8 s LEU 24 N -5.32 2.04 -0.26 0.18 1.43 -0.44 -4.95 118.68 111.35 2ki8 s LEU 24 Ca 0.58 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2ki8 s LEU 24 Cb -0.11 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2ki8 s LEU 24 CO 0.49 0.27 1.09 -1.61 0.23 0.00 0.00 176.35 176.82 2ki8 s GLU 25 N -0.47 4.16 0.08 1.70 2.02 -1.26 -1.14 118.70 123.78 2ki8 s GLU 25 Ca 0.07 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2ki8 s GLU 25 Cb -0.09 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 2ki8 s GLU 25 CO -0.00 -0.78 -0.04 0.14 0.02 0.00 0.00 175.26 174.60 2ki8 s VAL 26 N 3.48 0.40 -0.39 2.63 -7.23 -0.34 -4.63 120.40 114.34 2ki8 s VAL 26 Ca 0.46 -1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 58.61 2ki8 s VAL 26 Cb -0.15 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2ki8 s VAL 26 CO 0.12 -0.90 0.33 -0.70 -0.31 0.00 0.00 175.10 173.64 2ki8 s GLU 27 N -3.90 3.20 -0.54 4.82 2.12 -0.46 -0.26 118.70 123.68 2ki8 s GLU 27 Ca 0.11 -0.79 -0.23 0.00 0.36 0.00 0.00 54.97 54.41 2ki8 s GLU 27 Cb 0.07 -3.92 0.04 0.00 0.26 0.00 0.00 34.13 30.59 2ki8 s GLU 27 CO -0.07 -0.68 0.90 0.08 -0.54 0.00 0.00 175.26 174.95 2ki8 s VAL 28 N 1.84 4.46 0.44 3.70 1.01 0.15 -0.89 120.40 131.12 2ki8 s VAL 28 Ca 0.08 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2ki8 s VAL 28 Cb -0.18 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.69 2ki8 s VAL 28 CO 0.11 -1.06 0.68 -0.63 0.00 0.00 0.00 175.10 174.20 2ki8 s ILE 29 N 3.75 4.33 -0.15 2.22 1.01 -0.12 0.65 121.20 132.90 2ki8 s ILE 29 Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2ki8 s ILE 29 Cb -0.13 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.77 2ki8 s ILE 29 CO 0.18 -0.46 0.02 -0.55 0.00 0.00 0.00 174.94 174.13 2ki8 s SER 30 N -4.17 2.42 -0.15 3.58 0.15 -1.23 -0.74 113.70 113.56 2ki8 s SER 30 Ca 0.47 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.58 2ki8 s SER 30 Cb -0.10 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2ki8 s SER 30 CO 0.39 -0.26 -0.16 -0.83 1.20 0.00 0.00 173.24 173.58 2ki8 s GLY 31 N 1.89 1.47 -0.72 9.45 0.00 -0.93 -4.66 107.32 113.82 2ki8 s GLY 31 Ca 0.01 -1.02 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 2ki8 s GLY 31 CO -0.07 -0.04 2.03 0.50 0.00 0.00 0.00 173.10 175.53 2ki8 s ARG 32 N 0.71 2.40 -0.06 2.90 0.52 -1.26 -0.15 118.95 124.01 2ki8 s ARG 32 Ca -0.07 0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 55.36 2ki8 s ARG 32 Cb -0.16 -4.69 -0.31 0.00 0.52 0.00 0.00 34.95 30.31 2ki8 s ARG 32 CO 0.02 -3.24 0.77 1.79 0.02 0.00 0.00 175.30 174.65 2ki8 h THR 33 N 7.23 1.25 -4.13 0.02 1.35 -1.89 -3.48 112.91 113.26 2ki8 h THR 33 Ca -0.10 -2.51 -0.55 0.00 -0.55 0.00 0.00 66.41 62.69 2ki8 h THR 33 Cb 1.10 2.96 0.16 0.00 -1.73 0.00 0.00 68.15 70.64 2ki8 h THR 33 CO 1.18 0.74 0.48 -0.76 -0.25 0.00 0.00 175.52 176.91 2ki8 s LEU 34 N -7.66 3.50 -0.42 3.87 2.01 -1.26 -4.88 118.68 113.83 2ki8 s LEU 34 Ca -0.15 2.54 -0.27 0.00 0.01 0.00 0.00 54.13 56.25 2ki8 s LEU 34 Cb 0.03 -4.61 -0.03 0.00 0.01 0.00 0.00 46.19 41.59 2ki8 s LEU 34 CO 0.83 -2.08 1.93 0.20 1.01 0.00 0.00 176.35 178.24 2ki8 s ASN 35 N -1.58 5.49 0.46 2.29 0.01 -1.26 -4.79 114.94 115.56 2ki8 s ASN 35 Ca 0.80 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 54.00 2ki8 s ASN 35 Cb -0.35 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.79 2ki8 s ASN 35 CO 0.41 -2.07 0.00 0.00 -1.51 0.00 0.00 177.10 173.93 2ki8 n GLN 36 N 8.75 -3.02 -2.79 -0.60 6.02 -1.26 -4.88 117.38 119.60 2ki8 n GLN 36 Ca 0.25 2.24 -0.37 0.00 -0.01 0.00 0.00 57.00 59.11 2ki8 n GLN 36 Cb 0.49 -3.61 -0.06 0.00 1.02 0.00 0.00 30.24 28.08 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2ki8 s GLY 37 N -7.16 2.77 -0.24 1.08 0.00 -1.26 -5.05 107.32 97.46 2ki8 s GLY 37 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 44.72 44.86 2ki8 s GLY 37 CO 0.00 0.94 1.40 0.00 0.00 0.00 0.00 173.10 175.44 2ki8 s ALA 38 N -1.66 -2.30 0.61 3.20 0.00 -1.26 -5.16 121.76 115.19 2ki8 s ALA 38 Ca 0.51 1.65 -0.14 0.00 0.00 0.00 0.00 51.96 53.97 2ki8 s ALA 38 Cb -0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2ki8 s ALA 38 CO 0.23 -0.69 1.05 0.95 0.00 0.00 0.00 175.76 177.29 2ki8 s THR 39 N -2.02 3.95 0.50 0.00 -4.23 -1.26 -4.94 115.64 107.64 2ki8 s THR 39 Ca 0.13 0.84 0.19 0.00 -1.18 0.00 0.00 61.69 61.68 2ki8 s THR 39 Cb 0.02 -3.43 0.34 0.00 1.34 0.00 0.00 72.50 70.77 2ki8 s THR 39 CO -0.04 -0.62 2.04 -0.37 -0.54 0.00 0.00 174.62 175.10 2ki8 h VAL 40 N 0.19 0.86 -0.78 2.29 -1.51 -2.02 -0.40 116.25 114.88 2ki8 h VAL 40 Ca -0.46 -0.03 0.01 0.00 -1.23 0.00 0.00 66.70 64.99 2ki8 h VAL 40 Cb 1.21 0.76 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 2ki8 h VAL 40 CO 0.58 0.02 0.52 -0.08 -1.23 0.00 0.00 177.57 177.37 2ki8 h GLU 41 N 0.10 1.01 0.00 5.19 4.81 -2.00 -1.42 114.58 122.27 2ki8 h GLU 41 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2ki8 h GLU 41 Cb 0.56 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2ki8 h GLU 41 CO -0.02 0.67 0.00 0.93 -0.73 0.00 0.00 179.01 179.86 2ki8 h GLU 42 N 1.04 0.00 -0.19 1.92 4.39 -1.43 -3.22 114.58 117.09 2ki8 h GLU 42 Ca 0.29 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.79 2ki8 h GLU 42 Cb -0.09 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.24 2ki8 h GLU 42 CO -0.07 0.00 -0.93 1.63 -1.16 0.00 0.00 179.01 178.48 2ki8 n LYS 43 N -2.62 1.12 -1.75 2.33 5.02 -0.60 -5.02 118.16 116.63 2ki8 n LYS 43 Ca 0.00 -2.86 -0.19 0.00 -2.02 0.00 0.00 58.31 53.25 2ki8 n LYS 43 Cb 0.19 -0.95 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.95 2.86 0.29 -0.35 2.01 -0.78 -4.41 118.68 116.35 2ki8 s LEU 44 Ca 0.35 -0.52 -0.14 0.00 0.01 0.00 0.00 54.13 53.82 2ki8 s LEU 44 Cb 0.37 -2.57 0.01 0.00 0.01 0.00 0.00 46.19 44.02 2ki8 s LEU 44 CO -0.10 -3.70 0.60 0.28 1.01 0.00 0.00 176.35 174.45 2ki8 s THR 45 N 13.68 0.00 0.44 5.49 -1.32 -1.26 -5.04 115.64 127.63 2ki8 s THR 45 Ca 0.82 -1.24 0.14 0.00 -1.21 0.00 0.00 61.69 60.20 2ki8 s THR 45 Cb -0.08 -2.32 0.32 0.00 -1.51 0.00 0.00 72.50 68.91 2ki8 s THR 45 CO 0.08 0.00 1.99 -0.08 -2.21 0.00 0.00 174.62 174.40 2ki8 h GLU 46 N 2.12 0.39 -0.48 7.08 4.81 -1.98 -1.31 114.58 125.20 2ki8 h GLU 46 Ca -0.25 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.03 2ki8 h GLU 46 Cb 1.25 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 2ki8 h GLU 46 CO 0.33 0.26 0.12 0.93 -0.73 0.00 0.00 179.01 179.92 2ki8 h GLU 47 N 0.40 0.26 0.00 1.92 5.08 -1.96 -0.75 114.58 119.52 2ki8 h GLU 47 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2ki8 h GLU 47 Cb 0.50 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ki8 h GLU 47 CO -0.07 0.17 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.06 2ki8 h TYR 48 N 0.27 0.00 -0.07 4.33 5.03 -1.45 0.34 116.97 125.41 2ki8 h TYR 48 Ca 0.24 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 2ki8 h TYR 48 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.57 2ki8 h TYR 48 CO -0.20 0.14 0.00 0.34 -1.32 0.00 0.00 178.16 177.12 2ki8 n PHE 49 N -3.37 0.08 0.00 -3.82 7.35 -0.34 -4.14 117.46 113.22 2ki8 n PHE 49 Ca -0.00 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2ki8 n PHE 49 Cb 0.33 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.16 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2ki8 n ASN 50 N 0.05 0.60 0.26 -2.13 0.23 -0.90 -4.67 115.26 108.70 2ki8 n ASN 50 Ca 0.18 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.41 2ki8 n ASN 50 Cb 0.30 0.00 0.89 0.00 -2.08 0.00 0.00 39.78 38.89 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ki8 h ALA 51 N 0.00 1.55 0.00 -2.53 0.00 -1.12 -2.07 119.26 115.09 2ki8 h ALA 51 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ki8 h ALA 51 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ki8 h ALA 51 CO 0.00 -0.30 -0.21 1.33 0.00 0.00 0.00 179.25 180.06 2ki8 n VAL 52 N -3.36 0.77 -0.76 0.00 0.24 -1.26 -4.70 118.33 109.26 2ki8 n VAL 52 Ca 0.00 -0.91 0.08 0.00 -2.04 0.00 0.00 64.34 61.48 2ki8 n VAL 52 Cb 0.34 0.30 0.36 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.56 4.98 -4.09 -1.34 5.03 -0.78 -4.66 115.26 113.84 2ki8 n ASN 53 Ca 0.06 -2.68 -0.08 0.00 0.87 0.00 0.00 54.58 52.74 2ki8 n ASN 53 Cb 0.61 -0.60 -0.10 0.00 -1.02 0.00 0.00 39.78 38.67 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 -2.28 0.65 -0.09 3.10 -0.85 -1.26 -1.24 117.35 115.37 2ki8 s TYR 54 Ca 0.51 -1.09 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2ki8 s TYR 54 Cb 0.36 -0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.32 2ki8 s TYR 54 CO 0.19 -0.48 -0.15 0.00 -1.52 0.00 0.00 175.55 173.60 2ki8 s ALA 55 N -3.98 1.57 -0.28 9.51 0.00 0.12 -4.24 121.76 124.47 2ki8 s ALA 55 Ca 0.15 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 2ki8 s ALA 55 Cb 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2ki8 s ALA 55 CO -0.04 0.01 0.75 -1.21 0.00 0.00 0.00 175.76 175.27 2ki8 s GLU 56 N 0.85 4.03 0.20 0.00 2.02 0.56 -0.31 118.70 126.05 2ki8 s GLU 56 Ca -0.10 0.62 0.10 0.00 0.02 0.00 0.00 54.97 55.61 2ki8 s GLU 56 Cb -0.15 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 2ki8 s GLU 56 CO 0.01 -0.58 -0.16 0.42 0.02 0.00 0.00 175.26 174.98 2ki8 s ILE 57 N 2.80 2.81 0.36 -1.63 1.01 0.21 -1.19 121.20 125.57 2ki8 s ILE 57 Ca 0.31 -1.87 -0.25 0.00 0.00 0.00 0.00 60.65 58.83 2ki8 s ILE 57 Cb -0.15 -2.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.85 2ki8 s ILE 57 CO 0.10 -0.14 1.03 0.21 0.00 0.00 0.00 174.94 176.15 2ki8 s ASN 58 N -2.84 6.98 0.29 3.58 3.84 -1.26 -2.07 114.94 123.46 2ki8 s ASN 58 Ca 0.24 2.03 -0.01 0.00 0.21 0.00 0.00 52.86 55.33 2ki8 s ASN 58 Cb -0.08 -2.59 0.43 0.00 -0.55 0.00 0.00 41.25 38.45 2ki8 s ASN 58 CO 0.13 -0.33 1.84 -0.08 -2.79 0.00 0.00 177.10 175.87 2ki8 h GLU 59 N 2.89 0.82 -0.20 0.43 4.81 -1.94 0.41 114.58 121.80 2ki8 h GLU 59 Ca -0.48 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 2ki8 h GLU 59 Cb 1.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2ki8 h GLU 59 CO 0.64 0.72 0.10 0.93 -0.73 0.00 0.00 179.01 180.67 2ki8 h GLU 60 N 0.80 0.29 -0.38 1.92 4.39 -1.96 0.43 114.58 120.07 2ki8 h GLU 60 Ca 0.18 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 2ki8 h GLU 60 Cb 0.26 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2ki8 h GLU 60 CO -0.01 0.30 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.55 2ki8 h ASP 61 N 0.20 0.69 -0.63 1.42 3.32 -1.93 -2.01 116.42 117.47 2ki8 h ASP 61 Ca 0.07 -0.22 0.10 0.00 0.02 0.00 0.00 57.03 57.01 2ki8 h ASP 61 Cb 0.11 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.39 2ki8 h ASP 61 CO -0.01 0.86 0.22 -0.25 -1.72 0.00 0.00 179.24 178.34 2ki8 h TRP 62 N 0.62 0.38 -0.58 4.55 2.91 -0.46 -0.03 115.95 123.34 2ki8 h TRP 62 Ca 0.10 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.07 2ki8 h TRP 62 Cb 0.62 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 2ki8 h TRP 62 CO 0.03 0.07 0.05 -0.91 -1.03 0.00 0.00 178.44 176.65 2ki8 h ASN 63 N 0.39 0.97 -0.80 2.65 2.35 -0.66 0.01 115.58 120.49 2ki8 h ASN 63 Ca 0.33 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2ki8 h ASN 63 Cb 0.43 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2ki8 h ASN 63 CO -0.34 1.01 0.47 0.00 -1.65 0.00 0.00 177.43 176.92 2ki8 h ALA 64 N 0.99 1.31 0.00 -0.83 0.00 -0.52 -1.69 119.26 118.51 2ki8 h ALA 64 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ki8 h ALA 64 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ki8 h ALA 64 CO 0.02 0.58 -0.41 1.28 0.00 0.00 0.00 179.25 180.72 2ki8 n LEU 65 N -4.37 0.70 -2.75 0.00 4.77 -0.13 -4.97 117.00 110.25 2ki8 n LEU 65 Ca 0.09 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2ki8 n LEU 65 Cb 0.07 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2ki8 n LEU 65 CO 0.38 -0.08 0.11 0.61 -1.33 0.00 0.00 177.39 177.07 2ki8 n GLY 66 N 1.34 -0.14 3.91 -0.72 0.00 -0.11 -4.86 105.19 104.61 2ki8 n GLY 66 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.25 3.13 -0.06 0.99 1.43 -0.60 -5.03 118.68 113.29 2ki8 s LEU 67 Ca 0.11 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2ki8 s LEU 67 Cb -0.05 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2ki8 s LEU 67 CO 0.53 -1.16 -0.00 -1.58 0.23 0.00 0.00 176.35 174.37 2ki8 s GLN 68 N -5.10 0.53 -0.79 1.70 0.74 -1.26 -4.93 119.66 110.55 2ki8 s GLN 68 Ca 0.55 0.09 -0.25 0.00 0.05 0.00 0.00 55.36 55.80 2ki8 s GLN 68 Cb -0.11 -0.82 -0.18 0.00 1.10 0.00 0.00 33.01 33.01 2ki8 s GLN 68 CO 0.47 -0.23 2.48 0.39 -0.55 0.00 0.00 175.29 177.84 2ki8 n GLU 69 N 4.77 0.44 0.00 1.67 1.02 -1.26 -0.89 120.64 126.39 2ki8 n GLU 69 Ca -0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2ki8 n GLU 69 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 2ki8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ki8 n GLY 70 N 6.23 -0.02 0.86 0.62 0.00 -1.23 -5.09 105.19 106.55 2ki8 n GLY 70 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2ki8 n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ki8 n ASP 71 N 0.00 0.25 -4.45 1.61 5.68 -0.07 -4.83 116.55 114.75 2ki8 n ASP 71 Ca 0.00 -1.23 -0.33 0.00 -0.50 0.00 0.00 54.79 52.73 2ki8 n ASP 71 Cb 0.00 -0.16 -0.13 0.00 -1.14 0.00 0.00 41.12 39.69 2ki8 n ASP 71 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2ki8 s ARG 72 N -3.09 3.43 -0.01 0.11 0.52 -1.26 -1.04 118.95 117.61 2ki8 s ARG 72 Ca 0.15 -0.60 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 2ki8 s ARG 72 Cb -0.01 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 2ki8 s ARG 72 CO 0.10 0.28 -0.21 0.14 0.02 0.00 0.00 175.30 175.63 2ki8 s VAL 73 N 0.21 1.69 -0.17 3.52 -7.23 0.42 -2.67 120.40 116.17 2ki8 s VAL 73 Ca -0.05 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.05 2ki8 s VAL 73 Cb -0.15 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2ki8 s VAL 73 CO 0.04 0.43 0.19 -0.75 -0.31 0.00 0.00 175.10 174.70 2ki8 s LYS 74 N -0.62 4.09 -0.18 4.82 2.20 0.14 -0.65 119.74 129.53 2ki8 s LYS 74 Ca 0.08 -0.09 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 2ki8 s LYS 74 Cb -0.08 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 2ki8 s LYS 74 CO -0.00 0.37 0.03 0.08 -0.36 0.00 0.00 175.35 175.46 2ki8 s VAL 75 N 0.14 4.36 -0.07 4.02 1.01 0.38 -1.43 120.40 128.80 2ki8 s VAL 75 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2ki8 s VAL 75 Cb -0.12 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2ki8 s VAL 75 CO 0.01 0.45 -0.08 -0.54 0.00 0.00 0.00 175.10 174.94 2ki8 s LYS 76 N 0.58 1.33 0.02 2.72 1.02 -0.09 -1.56 119.74 123.76 2ki8 s LYS 76 Ca 0.01 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2ki8 s LYS 76 Cb -0.14 -1.23 -0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2ki8 s LYS 76 CO 0.02 -0.08 0.01 0.25 -0.92 0.00 0.00 175.35 174.63 2ki8 n THR 77 N 4.16 0.00 0.60 2.17 -2.24 -0.21 -0.21 114.28 118.55 2ki8 n THR 77 Ca -0.21 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 2ki8 n THR 77 Cb 0.51 0.05 0.45 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.03 0.19 0.03 -0.78 0.28 -1.26 -3.50 120.64 115.56 2ki8 n GLU 78 Ca 0.00 0.25 -0.19 0.00 -0.16 0.00 0.00 57.16 57.06 2ki8 n GLU 78 Cb 0.03 -1.76 -0.14 0.00 1.43 0.00 0.00 31.44 30.99 2ki8 n GLU 78 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2ki8 h PHE 79 N 0.00 0.49 0.00 -1.84 0.04 -1.83 -3.51 116.94 110.29 2ki8 h PHE 79 Ca 0.00 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2ki8 h PHE 79 Cb 0.56 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2ki8 h PHE 79 CO 0.00 1.59 0.00 0.41 -0.60 0.00 0.00 178.31 179.71 2ki8 n GLY 80 N 1.85 -0.56 3.04 -1.45 0.00 -0.91 -4.86 105.19 102.31 2ki8 n GLY 80 Ca -0.25 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.89 0.23 -0.00 1.61 -1.05 -1.26 -1.04 118.70 116.30 2ki8 s GLU 81 Ca 0.00 0.10 -0.04 0.00 -0.15 0.00 0.00 54.97 54.88 2ki8 s GLU 81 Cb 0.00 0.11 -0.00 0.00 -0.44 0.00 0.00 34.13 33.79 2ki8 s GLU 81 CO 0.00 -0.04 0.07 0.54 0.95 0.00 0.00 175.26 176.78 2ki8 s VAL 82 N -0.19 0.06 -0.29 1.83 0.11 -0.60 -4.94 120.40 116.39 2ki8 s VAL 82 Ca -0.03 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.41 2ki8 s VAL 82 Cb -0.02 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2ki8 s VAL 82 CO 0.00 -0.29 0.11 -0.69 -3.33 0.00 0.00 175.10 170.91 2ki8 s VAL 83 N -0.94 4.43 0.44 2.04 1.01 -1.26 -0.47 120.40 125.65 2ki8 s VAL 83 Ca -0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2ki8 s VAL 83 Cb -0.06 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2ki8 s VAL 83 CO 0.00 0.17 0.10 0.68 0.00 0.00 0.00 175.10 176.05 2ki8 s VAL 84 N 1.60 0.75 0.26 2.92 -7.23 0.17 -2.16 120.40 116.72 2ki8 s VAL 84 Ca 0.05 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.99 2ki8 s VAL 84 Cb -0.16 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 2ki8 s VAL 84 CO 0.05 0.00 0.82 -0.36 -0.31 0.00 0.00 175.10 175.30 2ki8 s PHE 85 N -3.12 3.69 -0.01 2.82 0.08 -0.38 -0.44 117.98 120.63 2ki8 s PHE 85 Ca 0.19 1.57 -0.19 0.00 0.12 0.00 0.00 56.93 58.63 2ki8 s PHE 85 Cb 0.02 -2.76 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 2ki8 s PHE 85 CO 0.12 0.30 0.53 0.00 -0.10 0.00 0.00 175.22 176.07 2ki8 s ALA 86 N -1.53 3.54 0.12 5.36 0.00 -0.21 -0.70 121.76 128.34 2ki8 s ALA 86 Ca 0.45 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2ki8 s ALA 86 Cb -0.18 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2ki8 s ALA 86 CO 0.23 0.23 -0.09 0.15 0.00 0.00 0.00 175.76 176.27 2ki8 s LYS 87 N -0.35 0.93 -0.47 0.00 1.02 0.58 -3.57 119.74 117.88 2ki8 s LYS 87 Ca 0.28 -1.32 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 2ki8 s LYS 87 Cb -0.18 -0.50 0.12 0.00 -0.52 0.00 0.00 37.83 36.76 2ki8 s LYS 87 CO 0.15 0.06 0.33 0.21 -0.92 0.00 0.00 175.35 175.18 2ki8 s LYS 88 N -3.40 2.39 -0.38 1.68 2.20 -1.26 0.67 119.74 121.64 2ki8 s LYS 88 Ca 0.11 -1.81 0.02 0.00 -0.36 0.00 0.00 55.97 53.94 2ki8 s LYS 88 Cb 0.01 -3.86 0.15 0.00 -1.51 0.00 0.00 37.83 32.63 2ki8 s LYS 88 CO -0.01 -1.17 0.31 0.20 -0.36 0.00 0.00 175.35 174.32 2ki8 s GLY 89 N 2.45 0.67 0.00 5.54 0.00 -0.88 -4.82 107.32 110.28 2ki8 s GLY 89 Ca 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2ki8 s GLY 89 CO -0.02 2.31 0.00 1.22 0.00 0.00 0.00 173.10 176.62 2ki8 n ASP 90 N 3.67 0.00 -4.80 1.64 8.00 -1.26 -4.56 116.55 119.24 2ki8 n ASP 90 Ca 0.18 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.33 2ki8 n ASP 90 Cb 0.43 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ki8 s VAL 91 N -0.62 4.13 0.95 2.53 -7.23 -1.26 -5.06 120.40 113.84 2ki8 s VAL 91 Ca 0.00 1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 61.47 2ki8 s VAL 91 Cb 0.00 -3.63 0.16 0.00 0.56 0.00 0.00 36.38 33.47 2ki8 s VAL 91 CO 0.00 -0.19 1.12 -2.16 -0.31 0.00 0.00 175.10 173.55 2ki8 s PRO 92 N -2.94 0.84 0.48 4.82 0.04 -1.26 -4.12 135.00 132.86 2ki8 s PRO 92 Ca 0.61 0.40 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 2ki8 s PRO 92 Cb -0.14 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2ki8 s PRO 92 CO 0.18 -2.43 1.19 0.21 0.04 0.00 0.00 177.00 176.20 2ki8 s LYS 93 N -5.13 3.64 -1.01 4.56 2.20 -1.26 -2.53 119.74 120.21 2ki8 s LYS 93 Ca 0.64 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 2ki8 s LYS 93 Cb -0.16 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 2ki8 s LYS 93 CO 0.55 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 2ki8 n GLY 94 N 0.48 1.08 3.12 5.54 0.00 -1.26 -5.00 105.19 109.14 2ki8 n GLY 94 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.63 0.27 0.02 1.61 0.00 -1.05 -1.35 119.30 116.16 2ki8 s MET 95 Ca 0.00 0.42 0.02 0.00 0.00 0.00 0.00 55.69 56.13 2ki8 s MET 95 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 34.83 34.87 2ki8 s MET 95 CO 0.00 -0.08 -0.07 0.96 0.00 0.00 0.00 175.02 175.84 2ki8 s ILE 96 N 0.52 0.48 -0.21 10.11 -4.36 -0.06 -4.20 121.20 123.47 2ki8 s ILE 96 Ca -0.03 -0.65 -0.06 0.00 -0.26 0.00 0.00 60.65 59.64 2ki8 s ILE 96 Cb -0.05 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.15 2ki8 s ILE 96 CO -0.03 -0.13 0.03 0.12 0.24 0.00 0.00 174.94 175.18 2ki8 s PHE 97 N -0.75 3.08 -0.12 1.37 5.36 -0.33 -0.94 117.98 125.65 2ki8 s PHE 97 Ca -0.04 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.60 2ki8 s PHE 97 Cb -0.06 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2ki8 s PHE 97 CO 0.00 -0.22 -0.22 0.42 -1.46 0.00 0.00 175.22 173.73 2ki8 s ILE 98 N 1.11 2.02 0.30 3.12 1.01 0.08 -0.32 121.20 128.52 2ki8 s ILE 98 Ca 0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 2ki8 s ILE 98 Cb -0.14 -1.77 -0.12 0.00 0.01 0.00 0.00 42.46 40.44 2ki8 s ILE 98 CO 0.02 0.55 1.45 -2.65 0.00 0.00 0.00 174.94 174.31 2ki8 n PRO 99 N 3.81 2.35 -1.60 2.79 -0.02 -1.26 -2.20 135.00 138.87 2ki8 n PRO 99 Ca -0.20 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 2ki8 n PRO 99 Cb 0.52 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2ki8 n PRO 99 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2ki8 s MET 100 N -1.04 2.69 0.16 -0.52 1.75 0.79 -4.46 119.30 118.66 2ki8 s MET 100 Ca 0.62 1.73 -0.07 0.00 -1.25 0.00 0.00 55.69 56.72 2ki8 s MET 100 Cb -0.56 -4.46 0.03 0.00 2.84 0.00 0.00 34.83 32.68 2ki8 s MET 100 CO 0.54 -2.61 0.35 0.41 -0.65 0.00 0.00 175.02 173.06 2ki8 n GLY 101 N 5.86 1.49 0.36 2.11 0.00 -1.26 -4.61 105.19 109.14 2ki8 n GLY 101 Ca 0.32 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 0.64 0.38 1.61 0.13 -1.90 0.25 132.00 133.11 2ki8 h PRO 102 Ca -0.14 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 2ki8 h PRO 102 Cb 0.53 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2ki8 h PRO 102 CO 0.18 0.42 -0.18 1.88 -0.23 0.00 0.00 178.00 180.07 2ki8 h TYR 103 N 0.66 -0.47 -0.28 1.56 -1.99 -1.91 -2.81 116.97 111.73 2ki8 h TYR 103 Ca 0.35 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 61.03 2ki8 h TYR 103 Cb 0.49 0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 2ki8 h TYR 103 CO -0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 178.16 177.91 2ki8 h ALA 104 N -0.01 1.48 0.00 3.88 0.00 -1.61 -2.64 119.26 120.35 2ki8 h ALA 104 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ki8 h ALA 104 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ki8 h ALA 104 CO 0.09 0.38 0.00 -0.97 0.00 0.00 0.00 179.25 178.74 2ki8 h ASN 105 N 0.41 0.00 1.41 0.00 -1.24 -0.26 0.21 115.58 116.11 2ki8 h ASN 105 Ca 0.09 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.04 2ki8 h ASN 105 Cb 0.28 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2ki8 h ASN 105 CO 0.01 0.00 -0.61 0.24 -1.29 0.00 0.00 177.43 175.78 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.35 -3.39 114.93 119.71 2ki8 h MET 106 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ki8 h MET 106 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ki8 h MET 106 CO 0.00 0.23 -0.68 1.33 1.06 0.00 0.00 176.91 178.84 2ki8 n VAL 107 N -3.03 0.00 -2.82 -2.22 0.24 -0.24 -2.13 118.33 108.13 2ki8 n VAL 107 Ca 0.00 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 2ki8 n VAL 107 Cb 0.66 0.50 0.08 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.49 2.19 -0.48 1.34 -4.36 0.58 -4.55 121.20 114.43 2ki8 s ILE 108 Ca 0.00 -0.81 -0.16 0.00 -0.26 0.00 0.00 60.65 59.42 2ki8 s ILE 108 Cb 0.00 -2.38 0.07 0.00 1.25 0.00 0.00 42.46 41.40 2ki8 s ILE 108 CO 0.00 0.00 0.44 -0.62 0.24 0.00 0.00 174.94 175.00 2ki8 s ASP 109 N -4.68 6.16 -0.06 4.36 2.15 -1.26 -4.89 116.67 118.45 2ki8 s ASP 109 Ca 0.63 -1.28 0.01 0.00 0.43 0.00 0.00 52.55 52.34 2ki8 s ASP 109 Cb -0.06 -2.21 0.12 0.00 -0.30 0.00 0.00 42.92 40.48 2ki8 s ASP 109 CO 0.41 -0.71 1.02 -0.81 -0.17 0.00 0.00 175.17 174.91 2ki8 n PRO 110 N 5.39 1.35 0.00 4.34 -0.04 -1.26 -3.53 135.00 141.24 2ki8 n PRO 110 Ca -0.11 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 2ki8 n PRO 110 Cb 0.44 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.19 4.75 -4.55 3.54 2.88 -1.26 -4.95 113.62 114.22 2ki8 n SER 111 Ca 0.08 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.25 2ki8 n SER 111 Cb 0.61 0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 64.63 2ki8 n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ki8 s THR 112 N -1.94 3.24 0.00 2.46 -1.32 -1.23 -4.65 115.64 112.21 2ki8 s THR 112 Ca 0.00 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2ki8 s THR 112 Cb 0.00 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 2ki8 s THR 112 CO 0.00 -0.63 0.00 0.47 -2.21 0.00 0.00 174.62 172.25 2ki8 n ASP 113 N 13.83 0.00 0.00 8.08 8.00 -1.26 -4.73 116.55 140.47 2ki8 n ASP 113 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2ki8 n ASP 113 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ki8 n GLY 114 N 0.00 2.48 3.75 0.44 0.00 -1.26 -5.06 105.19 105.54 2ki8 n GLY 114 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ki8 n THR 115 N -2.00 0.00 -1.49 2.61 -2.24 -1.26 -4.94 114.28 104.96 2ki8 n THR 115 Ca 0.00 -1.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 2ki8 n THR 115 Cb 0.00 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 2ki8 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ki8 n GLY 116 N -2.90 3.40 3.80 3.38 0.00 -1.26 -4.95 105.19 106.67 2ki8 n GLY 116 Ca 0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 4.17 4.21 -0.10 1.61 1.00 -1.26 -4.97 119.30 123.96 2ki8 s MET 117 Ca 0.53 1.26 0.09 0.00 0.00 0.00 0.00 55.69 57.57 2ki8 s MET 117 Cb 0.14 -2.34 0.45 0.00 0.00 0.00 0.00 34.83 33.07 2ki8 s MET 117 CO 0.02 -0.06 1.24 -0.35 0.00 0.00 0.00 175.02 175.88 2ki8 n PRO 118 N -0.38 2.90 -3.81 2.03 -0.04 -1.26 -4.91 135.00 129.52 2ki8 n PRO 118 Ca 0.06 -1.73 -0.35 0.00 -0.04 0.00 0.00 63.50 61.44 2ki8 n PRO 118 Cb 0.52 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 2ki8 n PRO 118 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ki8 s GLN 119 N -1.85 4.09 -1.41 0.54 -1.52 -1.26 -5.02 119.66 113.23 2ki8 s GLN 119 Ca 0.31 -0.25 -0.11 0.00 -1.95 0.00 0.00 55.36 53.35 2ki8 s GLN 119 Cb 0.21 -3.35 0.07 0.00 -0.22 0.00 0.00 33.01 29.72 2ki8 s GLN 119 CO 0.12 0.32 2.22 1.19 -0.25 0.00 0.00 175.29 178.89 2ki8 n PHE 120 N 3.45 3.12 -3.95 0.91 3.01 -1.26 -4.93 117.46 117.81 2ki8 n PHE 120 Ca -0.16 -2.92 -0.35 0.00 1.01 0.00 0.00 57.45 55.02 2ki8 n PHE 120 Cb 0.52 -2.30 -0.13 0.00 -0.01 0.00 0.00 39.48 37.57 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2ki8 s LYS 121 N 1.81 3.61 0.21 -1.08 2.20 -1.26 -5.11 119.74 120.12 2ki8 s LYS 121 Ca 0.48 -0.52 0.09 0.00 -0.36 0.00 0.00 55.97 55.67 2ki8 s LYS 121 Cb 0.13 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2ki8 s LYS 121 CO -0.06 -0.07 -0.18 0.20 -0.36 0.00 0.00 175.35 174.89 2ki8 s GLY 122 N 1.23 1.55 -0.16 5.54 0.00 -1.26 -4.58 107.32 109.64 2ki8 s GLY 122 Ca 0.04 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.82 2ki8 s GLY 122 CO 0.02 -1.72 1.11 0.14 0.00 0.00 0.00 173.10 172.65 2ki8 s VAL 123 N -2.40 4.55 0.14 1.40 1.01 0.21 -4.65 120.40 120.66 2ki8 s VAL 123 Ca 0.22 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 2ki8 s VAL 123 Cb -0.04 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2ki8 s VAL 123 CO 0.09 -0.10 1.36 -0.54 0.00 0.00 0.00 175.10 175.91 2ki8 s LYS 124 N 2.83 4.34 0.00 2.72 3.01 -1.26 0.29 119.74 131.67 2ki8 s LYS 124 Ca 0.49 2.05 0.00 0.00 -1.01 0.00 0.00 55.97 57.51 2ki8 s LYS 124 Cb -0.19 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.40 2ki8 s LYS 124 CO 0.13 -0.38 0.00 0.41 0.51 0.00 0.00 175.35 176.03 2ki8 n GLY 125 N 3.15 3.43 3.11 -3.33 0.00 0.64 -4.72 105.19 107.47 2ki8 n GLY 125 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 0.21 0.01 2.61 -4.23 0.70 -1.20 115.64 113.16 2ki8 s THR 126 Ca 0.00 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2ki8 s THR 126 Cb 0.00 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 2ki8 s THR 126 CO 0.00 -0.87 -0.02 0.54 -0.54 0.00 0.00 174.62 173.74 2ki8 s VAL 127 N -3.94 0.08 0.07 2.29 0.11 -0.29 -0.91 120.40 117.80 2ki8 s VAL 127 Ca 0.11 -0.43 -0.15 0.00 -2.93 0.00 0.00 61.98 58.58 2ki8 s VAL 127 Cb 0.08 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.81 2ki8 s VAL 127 CO -0.07 -0.22 0.34 -1.83 -3.33 0.00 0.00 175.10 169.99 2ki8 s GLU 128 N -0.68 0.90 0.01 1.54 -1.05 -0.52 -1.33 118.70 117.57 2ki8 s GLU 128 Ca -0.07 -0.56 -0.19 0.00 -0.15 0.00 0.00 54.97 54.00 2ki8 s GLU 128 Cb -0.05 0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 2ki8 s GLU 128 CO -0.00 -0.31 0.54 0.21 0.95 0.00 0.00 175.26 176.65 2ki8 s LYS 129 N -2.94 4.21 0.06 -4.83 2.20 -1.26 0.25 119.74 117.44 2ki8 s LYS 129 Ca -0.02 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2ki8 s LYS 129 Cb 0.00 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2ki8 s LYS 129 CO -0.06 0.49 -0.05 -0.08 -0.36 0.00 0.00 175.35 175.30 2ki8 s THR 130 N -0.56 0.38 -1.64 3.43 -1.32 -1.09 -4.88 115.64 109.96 2ki8 s THR 130 Ca 0.28 -1.64 0.29 0.00 -1.21 0.00 0.00 61.69 59.42 2ki8 s THR 130 Cb -0.18 -1.29 0.52 0.00 -1.51 0.00 0.00 72.50 70.04 2ki8 s THR 130 CO 0.16 -0.83 1.95 0.47 -2.21 0.00 0.00 174.62 174.16 2ki8 n ASP 131 N 0.42 0.32 -4.77 8.08 8.00 -1.26 -4.66 116.55 122.67 2ki8 n ASP 131 Ca -0.16 -0.51 -0.37 0.00 0.71 0.00 0.00 54.79 54.46 2ki8 n ASP 131 Cb 0.59 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ki8 s GLU 132 N -2.45 3.82 0.57 -1.24 2.02 -1.26 -5.01 118.70 115.15 2ki8 s GLU 132 Ca 0.31 1.71 -0.18 0.00 0.02 0.00 0.00 54.97 56.83 2ki8 s GLU 132 Cb 0.20 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 2ki8 s GLU 132 CO 0.46 -0.48 1.09 -1.59 0.02 0.00 0.00 175.26 174.76 2ki8 s LYS 133 N -2.69 3.32 -0.00 1.61 0.00 -1.26 -4.93 119.74 115.79 2ki8 s LYS 133 Ca 0.63 1.43 -0.30 0.00 0.00 0.00 0.00 55.97 57.73 2ki8 s LYS 133 Cb -0.27 -2.02 -0.07 0.00 0.00 0.00 0.00 37.83 35.48 2ki8 s LYS 133 CO 0.33 -0.84 1.67 0.08 0.00 0.00 0.00 175.35 176.58 2ki8 s VAL 134 N -2.08 3.37 -0.70 1.79 1.01 -1.26 -4.71 120.40 117.83 2ki8 s VAL 134 Ca 0.68 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 2ki8 s VAL 134 Cb -0.20 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2ki8 s VAL 134 CO 0.31 -0.03 2.28 -0.76 0.00 0.00 0.00 175.10 176.89 2ki8 s LEU 135 N 3.54 3.12 0.63 3.92 1.43 -0.92 -4.93 118.68 125.47 2ki8 s LEU 135 Ca 0.74 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 2ki8 s LEU 135 Cb -0.36 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2ki8 s LEU 135 CO 0.31 -3.24 0.82 -1.20 0.23 0.00 0.00 176.35 173.28 2ki8 n SER 136 N 16.46 0.11 -0.27 2.29 7.64 -1.26 -4.41 113.62 134.18 2ki8 n SER 136 Ca 0.40 0.75 0.04 0.00 1.01 0.00 0.00 58.87 61.06 2ki8 n SER 136 Cb 0.48 -1.33 0.13 0.00 -1.01 0.00 0.00 64.21 62.49 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 0.22 0.26 -0.13 0.44 2.07 -1.95 0.22 116.25 117.39 2ki8 h VAL 137 Ca -0.47 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 2ki8 h VAL 137 Cb 1.37 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2ki8 h VAL 137 CO 0.48 0.01 -0.40 0.50 0.02 0.00 0.00 177.57 178.18 2ki8 h LYS 138 N 0.04 0.50 -0.98 1.57 3.64 -2.00 -2.85 116.57 116.49 2ki8 h LYS 138 Ca 0.40 -0.37 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2ki8 h LYS 138 Cb 0.68 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.49 2ki8 h LYS 138 CO -0.75 0.99 0.63 1.49 -2.27 0.00 0.00 179.45 179.54 2ki8 h GLU 139 N 0.10 1.04 -0.75 1.90 4.57 -1.35 0.54 114.58 120.64 2ki8 h GLU 139 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2ki8 h GLU 139 Cb 1.03 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.35 2ki8 h GLU 139 CO 0.09 0.69 0.48 1.25 -1.18 0.00 0.00 179.01 180.34 2ki8 h LEU 140 N 1.08 0.87 -0.01 1.64 6.46 -0.67 -0.11 115.31 124.57 2ki8 h LEU 140 Ca 0.45 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.20 2ki8 h LEU 140 Cb 0.30 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 2ki8 h LEU 140 CO -0.20 0.65 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.04 2ki8 h LEU 141 N 1.02 -0.45 -1.58 2.25 3.38 -0.67 -0.86 115.31 118.39 2ki8 h LEU 141 Ca 0.27 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2ki8 h LEU 141 Cb -0.09 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ki8 h LEU 141 CO -0.06 -0.21 -0.21 -0.33 0.09 0.00 0.00 178.44 177.72 2ki8 h GLU 142 N -0.25 0.00 -0.28 1.13 5.08 -1.09 0.18 114.58 119.35 2ki8 h GLU 142 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2ki8 h GLU 142 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ki8 h GLU 142 CO -0.16 0.21 -0.52 0.00 -1.00 0.00 0.00 179.01 177.54 2ki8 h ALA 143 N 1.79 0.44 0.00 3.43 0.00 -0.36 -3.26 119.26 121.30 2ki8 h ALA 143 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ki8 h ALA 143 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ki8 h ALA 143 CO 0.03 0.64 -0.79 0.44 0.00 0.00 0.00 179.25 179.57 2ki8 n ILE 144 N -4.04 0.24 0.00 0.00 -6.64 -0.39 -5.01 119.36 103.52 2ki8 n ILE 144 Ca -0.04 -0.23 0.00 0.00 -1.77 0.00 0.00 62.75 60.70 2ki8 n ILE 144 Cb 0.61 0.06 0.00 0.00 -1.44 0.00 0.00 39.64 38.87 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 2.79 0.00 3.28 0.00 0.56 -5.09 105.19 108.09 2ki8 n GLY 145 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06