#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 1.47 3.29 3.03 0.00 -1.26 -5.11 105.19 106.61 2ki8 n GLY 2 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.29 2.27 -0.33 1.61 1.04 -1.26 -5.12 113.70 111.63 2ki8 s SER 3 Ca 0.00 -0.92 -0.28 0.00 0.48 0.00 0.00 55.95 55.23 2ki8 s SER 3 Cb 0.00 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2ki8 s SER 3 CO 0.00 -0.16 1.03 -0.94 0.98 0.00 0.00 173.24 174.14 2ki8 s SER 4 N -2.89 6.86 -0.24 7.02 1.04 -1.26 -5.01 113.70 119.23 2ki8 s SER 4 Ca 0.16 0.93 -0.20 0.00 0.48 0.00 0.00 55.95 57.32 2ki8 s SER 4 Cb -0.02 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2ki8 s SER 4 CO 0.04 -0.86 0.63 -1.38 0.98 0.00 0.00 173.24 172.66 2ki8 s HIS 5 N 3.57 -0.77 -0.05 5.02 0.00 -1.26 -5.18 115.29 116.62 2ki8 s HIS 5 Ca 0.43 1.77 -0.20 0.00 -3.00 0.00 0.00 55.06 54.06 2ki8 s HIS 5 Cb -0.12 0.32 0.04 0.00 -4.00 0.00 0.00 32.58 28.82 2ki8 s HIS 5 CO 0.16 -0.38 0.45 -3.38 -1.00 0.00 0.00 174.74 170.60 2ki8 s HIS 6 N 0.67 -0.39 -0.06 0.38 0.00 -1.26 -5.17 115.29 109.46 2ki8 s HIS 6 Ca -0.03 0.71 -0.03 0.00 -3.00 0.00 0.00 55.06 52.72 2ki8 s HIS 6 Cb -0.05 0.21 0.04 0.00 -4.00 0.00 0.00 32.58 28.78 2ki8 s HIS 6 CO -0.04 -0.43 0.13 -3.38 -1.00 0.00 0.00 174.74 170.01 2ki8 s HIS 7 N -1.01 -0.12 -0.29 0.38 0.00 -1.26 -5.13 115.29 107.86 2ki8 s HIS 7 Ca -0.10 0.46 -0.14 0.00 -3.00 0.00 0.00 55.06 52.27 2ki8 s HIS 7 Cb -0.03 -0.21 0.13 0.00 -4.00 0.00 0.00 32.58 28.47 2ki8 s HIS 7 CO 0.05 -0.20 0.84 -1.58 -1.00 0.00 0.00 174.74 172.86 2ki8 s HIS 8 N 1.66 -0.89 0.03 0.38 2.46 -1.26 -5.18 115.29 112.49 2ki8 s HIS 8 Ca -0.03 1.65 0.02 0.00 0.47 0.00 0.00 55.06 57.16 2ki8 s HIS 8 Cb -0.12 0.53 -0.02 0.00 -0.13 0.00 0.00 32.58 32.85 2ki8 s HIS 8 CO -0.05 -0.44 -0.07 -1.01 -2.47 0.00 0.00 174.74 170.70 2ki8 s HIS 9 N 2.09 0.62 -0.31 3.88 4.02 -1.26 -5.13 115.29 119.19 2ki8 s HIS 9 Ca -0.07 -0.36 -0.19 0.00 1.02 0.00 0.00 55.06 55.46 2ki8 s HIS 9 Cb -0.07 -0.38 -0.01 0.00 -1.02 0.00 0.00 32.58 31.11 2ki8 s HIS 9 CO -0.18 -0.06 0.58 -1.58 1.02 0.00 0.00 174.74 174.53 2ki8 s HIS 10 N -0.96 3.21 -0.14 1.40 5.65 -1.26 -5.06 115.29 118.13 2ki8 s HIS 10 Ca -0.06 0.48 -0.02 0.00 0.25 0.00 0.00 55.06 55.71 2ki8 s HIS 10 Cb -0.07 -2.94 -0.02 0.00 -1.18 0.00 0.00 32.58 28.36 2ki8 s HIS 10 CO 0.00 -0.47 -0.06 -1.12 -0.65 0.00 0.00 174.74 172.44 2ki8 s SER 11 N 1.67 4.59 -0.13 9.88 0.01 -1.26 -5.11 113.70 123.35 2ki8 s SER 11 Ca 0.23 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.20 2ki8 s SER 11 Cb -0.15 -1.66 0.04 0.00 0.21 0.00 0.00 66.02 64.46 2ki8 s SER 11 CO 0.12 0.20 0.37 -0.55 0.41 0.00 0.00 173.24 173.79 2ki8 s SER 12 N 0.18 -0.38 0.09 2.44 0.15 -1.26 -5.17 113.70 109.75 2ki8 s SER 12 Ca -0.03 0.72 0.04 0.00 0.70 0.00 0.00 55.95 57.38 2ki8 s SER 12 Cb -0.14 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2ki8 s SER 12 CO 0.03 -0.14 -0.11 -0.83 1.20 0.00 0.00 173.24 173.40 2ki8 s GLY 13 N 0.14 0.86 -0.34 9.45 0.00 -1.26 -5.13 107.32 111.04 2ki8 s GLY 13 Ca -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.57 2ki8 s GLY 13 CO 0.01 -1.22 0.06 0.50 0.00 0.00 0.00 173.10 172.44 2ki8 s ARG 14 N -2.60 1.86 -0.76 2.90 0.52 -1.26 -5.04 118.95 114.57 2ki8 s ARG 14 Ca 0.04 -1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 53.46 2ki8 s ARG 14 Cb -0.04 -3.26 0.20 0.00 0.52 0.00 0.00 34.95 32.37 2ki8 s ARG 14 CO 0.01 -0.88 0.65 -1.83 0.02 0.00 0.00 175.30 173.27 2ki8 s GLU 15 N 1.04 3.20 -0.49 3.54 1.03 -1.26 -5.04 118.70 120.73 2ki8 s GLU 15 Ca 0.05 -2.56 -0.16 0.00 0.03 0.00 0.00 54.97 52.34 2ki8 s GLU 15 Cb -0.20 -4.14 0.09 0.00 -0.80 0.00 0.00 34.13 29.08 2ki8 s GLU 15 CO -0.06 -1.24 0.43 -0.80 -1.33 0.00 0.00 175.26 172.26 2ki8 s ASN 16 N 1.44 6.16 -0.04 0.83 -0.87 -1.26 -5.06 114.94 116.13 2ki8 s ASN 16 Ca 0.18 -1.48 -0.24 0.00 -1.57 0.00 0.00 52.86 49.76 2ki8 s ASN 16 Cb -0.14 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 38.86 2ki8 s ASN 16 CO -0.07 -0.71 0.71 -0.76 -2.57 0.00 0.00 177.10 173.70 2ki8 s LEU 17 N 1.63 4.35 -0.06 0.60 1.02 -1.26 -5.07 118.68 119.89 2ki8 s LEU 17 Ca 0.04 1.24 0.05 0.00 0.02 0.00 0.00 54.13 55.48 2ki8 s LEU 17 Cb -0.26 -3.11 -0.02 0.00 0.02 0.00 0.00 46.19 42.83 2ki8 s LEU 17 CO 0.05 -0.08 -0.21 -0.72 0.02 0.00 0.00 176.35 175.42 2ki8 s TYR 18 N 0.56 2.54 -0.14 0.29 1.13 -1.26 -5.12 117.35 115.35 2ki8 s TYR 18 Ca 0.37 -0.49 -0.06 0.00 -1.41 0.00 0.00 57.07 55.48 2ki8 s TYR 18 Cb -0.18 -1.62 0.06 0.00 -1.10 0.00 0.00 41.96 39.12 2ki8 s TYR 18 CO 0.19 -0.06 0.31 0.12 -2.51 0.00 0.00 175.55 173.60 2ki8 s PHE 19 N -0.36 -0.48 -0.17 -3.49 5.36 -1.26 -5.15 117.98 112.44 2ki8 s PHE 19 Ca 0.03 1.04 -0.08 0.00 -0.96 0.00 0.00 56.93 56.96 2ki8 s PHE 19 Cb -0.12 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 2ki8 s PHE 19 CO 0.02 -0.32 0.09 -1.14 -1.46 0.00 0.00 175.22 172.41 2ki8 s GLN 20 N 1.80 3.83 -1.15 10.12 0.74 -1.26 -5.02 119.66 128.73 2ki8 s GLN 20 Ca -0.05 -0.27 -0.23 0.00 0.05 0.00 0.00 55.36 54.85 2ki8 s GLN 20 Cb -0.11 -3.23 -0.10 0.00 1.10 0.00 0.00 33.01 30.68 2ki8 s GLN 20 CO -0.10 0.42 1.96 0.20 -0.55 0.00 0.00 175.29 177.22 2ki8 s GLY 21 N -0.04 0.04 -0.27 2.59 0.00 -1.26 -4.92 107.32 103.47 2ki8 s GLY 21 Ca 0.08 -2.03 -0.28 0.00 0.00 0.00 0.00 44.72 42.49 2ki8 s GLY 21 CO 0.00 3.62 1.87 -1.58 0.00 0.00 0.00 173.10 177.02 2ki8 s HIS 22 N 11.53 1.69 0.39 1.90 2.46 -1.26 -4.99 115.29 127.02 2ki8 s HIS 22 Ca 0.70 0.54 -0.00 0.00 0.47 0.00 0.00 55.06 56.76 2ki8 s HIS 22 Cb -0.02 -4.07 -0.03 0.00 -0.13 0.00 0.00 32.58 28.34 2ki8 s HIS 22 CO 0.12 -3.33 0.61 0.00 -2.47 0.00 0.00 174.74 169.67 2ki8 s MET 23 N 5.58 3.38 -0.05 2.88 0.23 -1.26 -4.95 119.30 125.11 2ki8 s MET 23 Ca 0.83 -0.31 0.01 0.00 -1.03 0.00 0.00 55.69 55.20 2ki8 s MET 23 Cb -0.26 -2.60 -0.03 0.00 -1.53 0.00 0.00 34.83 30.41 2ki8 s MET 23 CO 0.34 -0.01 -0.06 -0.51 -2.03 0.00 0.00 175.02 172.75 2ki8 s LEU 24 N -4.43 3.20 -0.16 0.18 1.43 -0.67 -4.99 118.68 113.24 2ki8 s LEU 24 Ca 0.43 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2ki8 s LEU 24 Cb -0.10 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2ki8 s LEU 24 CO 0.38 0.34 0.58 -1.61 0.23 0.00 0.00 176.35 176.27 2ki8 s GLU 25 N -1.02 4.27 0.10 1.70 2.02 -1.26 -0.38 118.70 124.13 2ki8 s GLU 25 Ca 0.14 0.58 -0.02 0.00 0.02 0.00 0.00 54.97 55.69 2ki8 s GLU 25 Cb -0.11 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2ki8 s GLU 25 CO 0.04 -0.08 0.05 0.14 0.02 0.00 0.00 175.26 175.42 2ki8 s VAL 26 N 1.39 0.15 -0.31 2.63 -7.23 -0.56 -4.63 120.40 111.84 2ki8 s VAL 26 Ca 0.28 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 2ki8 s VAL 26 Cb -0.16 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2ki8 s VAL 26 CO 0.11 -0.67 0.25 -0.70 -0.31 0.00 0.00 175.10 173.79 2ki8 s GLU 27 N -3.98 3.75 -0.34 4.82 2.12 -0.10 -0.02 118.70 124.95 2ki8 s GLU 27 Ca 0.16 -0.41 -0.20 0.00 0.36 0.00 0.00 54.97 54.88 2ki8 s GLU 27 Cb 0.07 -3.73 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 2ki8 s GLU 27 CO -0.04 -0.33 0.60 0.08 -0.54 0.00 0.00 175.26 175.04 2ki8 s VAL 28 N 1.81 4.93 0.23 3.70 1.01 0.14 -0.86 120.40 131.37 2ki8 s VAL 28 Ca 0.08 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2ki8 s VAL 28 Cb -0.17 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2ki8 s VAL 28 CO 0.11 -0.24 0.29 -0.63 0.00 0.00 0.00 175.10 174.63 2ki8 s ILE 29 N 2.60 4.97 -0.15 2.22 1.01 0.09 -0.06 121.20 131.88 2ki8 s ILE 29 Ca 0.23 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2ki8 s ILE 29 Cb -0.15 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.69 2ki8 s ILE 29 CO 0.14 -0.31 0.37 -0.55 0.00 0.00 0.00 174.94 174.59 2ki8 s SER 30 N -3.84 -0.44 0.00 3.58 0.15 -1.24 -0.26 113.70 111.64 2ki8 s SER 30 Ca 0.34 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2ki8 s SER 30 Cb -0.09 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2ki8 s SER 30 CO 0.27 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2ki8 n GLY 31 N 3.96 -1.19 3.31 9.45 0.00 -0.96 -4.74 105.19 115.03 2ki8 n GLY 31 Ca -0.22 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2ki8 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ki8 n ARG 32 N 0.00 0.08 0.19 1.61 5.12 -1.26 -2.47 116.66 119.92 2ki8 n ARG 32 Ca 0.00 -0.70 0.00 0.00 -1.93 0.00 0.00 57.85 55.22 2ki8 n ARG 32 Cb 0.00 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 2ki8 n ARG 32 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2ki8 n THR 33 N 6.66 0.00 -3.80 0.55 -2.24 -1.26 -4.91 114.28 109.28 2ki8 n THR 33 Ca 0.25 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.67 2ki8 n THR 33 Cb 0.45 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 2ki8 n THR 33 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ki8 s LEU 34 N -6.91 3.48 0.24 3.22 1.02 -1.25 -5.00 118.68 113.47 2ki8 s LEU 34 Ca 0.00 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.64 2ki8 s LEU 34 Cb 0.00 -1.85 0.26 0.00 0.02 0.00 0.00 46.19 44.62 2ki8 s LEU 34 CO 0.00 -0.10 1.70 0.78 0.02 0.00 0.00 176.35 178.75 2ki8 h ASN 35 N 8.20 0.77 -3.49 2.29 2.35 -1.98 -3.38 115.58 120.35 2ki8 h ASN 35 Ca -0.36 -0.23 -0.69 0.00 -0.55 0.00 0.00 56.30 54.47 2ki8 h ASN 35 Cb 1.15 -0.21 -0.18 0.00 0.05 0.00 0.00 38.32 39.13 2ki8 h ASN 35 CO 0.59 0.90 -0.14 -1.10 -1.65 0.00 0.00 177.43 176.04 2ki8 s GLN 36 N -4.81 3.11 -0.07 0.81 -1.52 -1.26 -4.98 119.66 110.94 2ki8 s GLN 36 Ca -0.09 -0.76 -0.08 0.00 -1.95 0.00 0.00 55.36 52.48 2ki8 s GLN 36 Cb 0.14 -3.99 -0.04 0.00 -0.22 0.00 0.00 33.01 28.89 2ki8 s GLN 36 CO 0.82 -0.94 0.31 0.78 -0.25 0.00 0.00 175.29 176.01 2ki8 h GLY 37 N 9.21 -0.27 0.00 3.09 0.00 -1.96 -3.50 103.07 109.65 2ki8 h GLY 37 Ca -0.26 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2ki8 h GLY 37 CO 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 177.28 2ki8 n ALA 38 N -2.76 0.00 -2.20 3.60 0.00 -1.26 -4.88 120.51 113.02 2ki8 n ALA 38 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 2ki8 n ALA 38 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 2ki8 n ALA 38 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ki8 s THR 39 N 0.00 2.64 0.40 0.00 -4.23 -1.26 -5.02 115.64 108.17 2ki8 s THR 39 Ca 0.00 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 2ki8 s THR 39 Cb 0.00 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.17 2ki8 s THR 39 CO 0.00 0.00 2.04 0.58 -0.54 0.00 0.00 174.62 176.70 2ki8 h VAL 40 N 0.94 1.10 -0.46 2.29 2.07 -1.92 -2.38 116.25 117.89 2ki8 h VAL 40 Ca -0.41 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2ki8 h VAL 40 Cb 1.27 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2ki8 h VAL 40 CO 0.55 0.11 0.12 -0.08 0.02 0.00 0.00 177.57 178.29 2ki8 h GLU 41 N 0.61 0.69 -0.23 1.57 4.81 -2.00 -2.05 114.58 117.98 2ki8 h GLU 41 Ca 0.18 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2ki8 h GLU 41 Cb -0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2ki8 h GLU 41 CO -0.04 0.62 -0.12 0.93 -0.73 0.00 0.00 179.01 179.67 2ki8 h GLU 42 N 0.67 0.37 -2.05 1.92 3.07 -1.83 -3.33 114.58 113.42 2ki8 h GLU 42 Ca 0.15 -0.10 -0.53 0.00 -0.50 0.00 0.00 59.36 58.39 2ki8 h GLU 42 Cb 0.24 -0.05 -0.41 0.00 -0.84 0.00 0.00 28.75 27.70 2ki8 h GLU 42 CO -0.00 0.50 -0.93 1.63 -1.40 0.00 0.00 179.01 178.81 2ki8 n LYS 43 N -4.24 2.10 -2.16 2.33 4.01 -0.85 -5.01 118.16 114.34 2ki8 n LYS 43 Ca 0.00 -4.08 -0.30 0.00 -0.51 0.00 0.00 58.31 53.41 2ki8 n LYS 43 Cb 0.29 -1.94 -0.05 0.00 -0.51 0.00 0.00 35.03 32.82 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ki8 s LEU 44 N -2.99 3.21 0.21 -0.35 1.43 -0.83 -4.53 118.68 114.83 2ki8 s LEU 44 Ca 0.44 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 2ki8 s LEU 44 Cb 0.33 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 2ki8 s LEU 44 CO -0.11 -2.64 0.40 0.28 0.23 0.00 0.00 176.35 174.52 2ki8 s THR 45 N 9.49 0.03 0.39 5.49 -1.32 -1.26 -5.04 115.64 123.42 2ki8 s THR 45 Ca 0.65 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.93 2ki8 s THR 45 Cb -0.02 -1.97 0.32 0.00 -1.51 0.00 0.00 72.50 69.32 2ki8 s THR 45 CO 0.07 -0.13 1.93 -0.08 -2.21 0.00 0.00 174.62 174.21 2ki8 h GLU 46 N 2.36 0.58 -0.77 7.08 4.57 -2.01 -1.46 114.58 124.93 2ki8 h GLU 46 Ca -0.29 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 57.96 2ki8 h GLU 46 Cb 1.24 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 2ki8 h GLU 46 CO 0.41 0.39 0.40 0.93 -1.18 0.00 0.00 179.01 179.95 2ki8 h GLU 47 N 0.60 0.63 -0.19 1.92 5.08 -1.96 -0.56 114.58 120.10 2ki8 h GLU 47 Ca 0.35 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2ki8 h GLU 47 Cb 0.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ki8 h GLU 47 CO -0.12 0.41 0.10 -0.92 -1.00 0.00 0.00 179.01 177.48 2ki8 h TYR 48 N 0.65 0.25 0.00 4.33 5.03 -1.50 0.24 116.97 125.96 2ki8 h TYR 48 Ca 0.39 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.53 2ki8 h TYR 48 Cb 0.44 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 2ki8 h TYR 48 CO -0.10 0.18 -0.81 0.35 -1.32 0.00 0.00 178.16 176.47 2ki8 h PHE 49 N 0.26 0.00 -0.03 -3.82 3.57 -1.14 -3.22 116.94 112.56 2ki8 h PHE 49 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2ki8 h PHE 49 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2ki8 h PHE 49 CO 0.00 0.81 0.00 0.09 -2.23 0.00 0.00 178.31 176.98 2ki8 n ASN 50 N -3.41 2.82 -0.10 0.41 3.02 -0.63 -4.11 115.26 113.26 2ki8 n ASN 50 Ca 0.00 -1.94 -0.23 0.00 -0.03 0.00 0.00 54.58 52.39 2ki8 n ASN 50 Cb 0.82 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.87 2ki8 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 n ALA 51 N 1.21 1.14 -1.19 5.41 0.00 0.74 -4.78 120.51 123.04 2ki8 n ALA 51 Ca 0.15 -0.89 0.05 0.00 0.00 0.00 0.00 53.44 52.74 2ki8 n ALA 51 Cb 0.57 -0.24 0.07 0.00 0.00 0.00 0.00 19.45 19.86 2ki8 n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ki8 n VAL 52 N -3.78 1.09 -0.81 0.00 0.24 -1.22 -4.74 118.33 109.12 2ki8 n VAL 52 Ca -0.43 -1.28 0.08 0.00 -2.04 0.00 0.00 64.34 60.66 2ki8 n VAL 52 Cb 0.92 0.16 0.38 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.80 5.27 -4.13 -1.34 5.03 -1.26 -4.61 115.26 113.42 2ki8 n ASN 53 Ca 0.08 -2.76 -0.09 0.00 0.87 0.00 0.00 54.58 52.68 2ki8 n ASN 53 Cb 0.59 -0.64 -0.10 0.00 -1.02 0.00 0.00 39.78 38.62 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 -2.43 0.71 -0.02 3.10 1.13 -1.26 -0.94 117.35 117.64 2ki8 s TYR 54 Ca 0.53 -0.94 0.04 0.00 -1.41 0.00 0.00 57.07 55.28 2ki8 s TYR 54 Cb 0.38 -0.45 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2ki8 s TYR 54 CO 0.19 -0.24 -0.13 0.00 -2.51 0.00 0.00 175.55 172.86 2ki8 s ALA 55 N -3.55 1.12 -0.32 9.51 0.00 -0.43 -4.28 121.76 123.82 2ki8 s ALA 55 Ca 0.08 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 2ki8 s ALA 55 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2ki8 s ALA 55 CO -0.06 0.25 0.64 -1.21 0.00 0.00 0.00 175.76 175.37 2ki8 s GLU 56 N -0.16 3.85 0.05 0.00 2.02 0.37 -1.23 118.70 123.60 2ki8 s GLU 56 Ca 0.02 0.26 0.05 0.00 0.02 0.00 0.00 54.97 55.32 2ki8 s GLU 56 Cb -0.07 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 2ki8 s GLU 56 CO 0.00 -0.62 -0.07 0.42 0.02 0.00 0.00 175.26 175.01 2ki8 s ILE 57 N 2.66 3.56 0.40 -1.63 1.01 0.11 -1.82 121.20 125.48 2ki8 s ILE 57 Ca 0.25 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 2ki8 s ILE 57 Cb -0.15 -2.60 -0.09 0.00 0.01 0.00 0.00 42.46 39.63 2ki8 s ILE 57 CO 0.13 0.26 1.26 0.21 0.00 0.00 0.00 174.94 176.80 2ki8 s ASN 58 N -1.81 6.38 0.29 3.58 3.84 -1.25 -1.06 114.94 124.91 2ki8 s ASN 58 Ca 0.20 2.57 -0.00 0.00 0.21 0.00 0.00 52.86 55.83 2ki8 s ASN 58 Cb -0.11 -2.63 0.43 0.00 -0.55 0.00 0.00 41.25 38.39 2ki8 s ASN 58 CO 0.11 -0.79 1.83 -0.08 -2.79 0.00 0.00 177.10 175.37 2ki8 h GLU 59 N 2.69 0.77 -0.07 0.43 4.81 -1.84 0.17 114.58 121.54 2ki8 h GLU 59 Ca -0.49 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2ki8 h GLU 59 Cb 1.24 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 2ki8 h GLU 59 CO 0.63 0.72 0.04 0.93 -0.73 0.00 0.00 179.01 180.59 2ki8 h GLU 60 N 0.74 0.10 -0.20 1.92 5.08 -1.96 -0.80 114.58 119.44 2ki8 h GLU 60 Ca 0.16 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2ki8 h GLU 60 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2ki8 h GLU 60 CO 0.00 0.14 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.48 2ki8 h ASP 61 N 0.03 0.37 0.17 1.42 3.32 -1.90 -1.51 116.42 118.32 2ki8 h ASP 61 Ca 0.02 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ki8 h ASP 61 Cb 0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2ki8 h ASP 61 CO -0.00 0.61 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.67 2ki8 h TRP 62 N 0.33 -0.55 -0.46 4.55 2.91 -0.33 -1.99 115.95 120.41 2ki8 h TRP 62 Ca 0.05 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.00 2ki8 h TRP 62 Cb 0.61 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 2ki8 h TRP 62 CO 0.02 -0.31 -0.04 -0.91 -1.03 0.00 0.00 178.44 176.17 2ki8 h ASN 63 N -0.43 0.77 -0.10 2.65 2.35 -1.03 -0.73 115.58 119.06 2ki8 h ASN 63 Ca 0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2ki8 h ASN 63 Cb 0.42 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2ki8 h ASN 63 CO -0.08 0.86 0.05 0.00 -1.65 0.00 0.00 177.43 176.62 2ki8 h ALA 64 N 1.22 0.12 0.00 -0.83 0.00 -1.08 -1.78 119.26 116.90 2ki8 h ALA 64 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ki8 h ALA 64 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ki8 h ALA 64 CO 0.03 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.15 2ki8 n LEU 65 N -5.04 0.00 -2.99 0.00 4.77 -0.76 -4.92 117.00 108.06 2ki8 n LEU 65 Ca -0.05 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2ki8 n LEU 65 Cb 0.04 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2ki8 n LEU 65 CO 0.32 -0.02 0.14 0.61 -1.33 0.00 0.00 177.39 177.11 2ki8 n GLY 66 N 1.01 -0.23 3.84 -0.72 0.00 -0.67 -4.85 105.19 103.57 2ki8 n GLY 66 Ca 0.15 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.79 3.72 -0.11 0.99 1.43 -0.32 -5.03 118.68 113.56 2ki8 s LEU 67 Ca 0.20 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2ki8 s LEU 67 Cb -0.09 -4.46 0.05 0.00 0.03 0.00 0.00 46.19 41.72 2ki8 s LEU 67 CO 0.59 -0.51 0.07 -1.58 0.23 0.00 0.00 176.35 175.15 2ki8 s GLN 68 N -3.83 0.11 -0.81 1.70 0.74 -1.26 -4.85 119.66 111.46 2ki8 s GLN 68 Ca 0.59 0.09 -0.32 0.00 0.05 0.00 0.00 55.36 55.77 2ki8 s GLN 68 Cb -0.10 -1.25 -0.20 0.00 1.10 0.00 0.00 33.01 32.57 2ki8 s GLN 68 CO 0.27 -0.50 2.37 0.39 -0.55 0.00 0.00 175.29 177.28 2ki8 n GLU 69 N 5.26 0.00 0.00 1.67 1.02 -1.26 -0.98 120.64 126.35 2ki8 n GLU 69 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2ki8 n GLU 69 Cb 0.49 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 6.25 1.46 3.90 0.62 0.00 -1.25 -5.11 105.19 111.06 2ki8 n GLY 70 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ki8 s ASP 71 N -0.84 2.63 -0.13 1.61 -4.77 -0.15 -4.78 116.67 110.24 2ki8 s ASP 71 Ca 0.00 0.22 -0.03 0.00 -3.30 0.00 0.00 52.55 49.43 2ki8 s ASP 71 Cb 0.00 -0.20 -0.03 0.00 -1.09 0.00 0.00 42.92 41.60 2ki8 s ASP 71 CO 0.00 -3.03 -0.01 -0.13 0.70 0.00 0.00 175.17 172.70 2ki8 s ARG 72 N -5.90 3.39 -0.07 2.11 3.00 -1.26 -1.51 118.95 118.71 2ki8 s ARG 72 Ca 0.76 -0.45 0.03 0.00 0.00 0.00 0.00 55.73 56.07 2ki8 s ARG 72 Cb -0.03 -2.89 -0.02 0.00 0.00 0.00 0.00 34.95 32.01 2ki8 s ARG 72 CO 0.54 0.45 -0.17 0.14 0.00 0.00 0.00 175.30 176.26 2ki8 s VAL 73 N -0.20 2.74 -0.11 3.52 -7.23 -0.50 -2.05 120.40 116.58 2ki8 s VAL 73 Ca 0.05 -0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 59.35 2ki8 s VAL 73 Cb -0.13 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2ki8 s VAL 73 CO 0.02 0.57 0.10 -0.75 -0.31 0.00 0.00 175.10 174.73 2ki8 s LYS 74 N -0.28 3.29 -0.05 4.82 2.20 0.12 -1.71 119.74 128.14 2ki8 s LYS 74 Ca 0.01 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 2ki8 s LYS 74 Cb -0.13 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2ki8 s LYS 74 CO 0.03 0.75 -0.22 0.08 -0.36 0.00 0.00 175.35 175.63 2ki8 s VAL 75 N -0.99 1.80 -0.03 4.02 1.01 -0.12 -0.81 120.40 125.28 2ki8 s VAL 75 Ca 0.15 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2ki8 s VAL 75 Cb -0.12 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2ki8 s VAL 75 CO 0.04 0.51 0.02 -0.54 0.00 0.00 0.00 175.10 175.13 2ki8 s LYS 76 N -0.17 0.15 0.08 2.72 1.02 -0.36 -1.53 119.74 121.65 2ki8 s LYS 76 Ca -0.01 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.17 2ki8 s LYS 76 Cb -0.12 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 2ki8 s LYS 76 CO 0.02 -0.21 0.05 0.25 -0.92 0.00 0.00 175.35 174.55 2ki8 n THR 77 N 4.53 0.00 0.30 2.17 -2.24 -0.40 -0.32 114.28 118.32 2ki8 n THR 77 Ca -0.19 -0.54 0.09 0.00 -2.27 0.00 0.00 64.05 61.13 2ki8 n THR 77 Cb 0.50 0.25 0.40 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.16 0.11 -0.02 -0.78 0.28 -1.26 -2.82 120.64 115.98 2ki8 n GLU 78 Ca 0.01 0.45 -0.15 0.00 -0.16 0.00 0.00 57.16 57.31 2ki8 n GLU 78 Cb 0.14 -1.76 -0.14 0.00 1.43 0.00 0.00 31.44 31.11 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 -1.97 0.99 -3.71 -1.84 3.72 -1.26 -5.09 117.46 108.30 2ki8 n PHE 79 Ca 0.01 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2ki8 n PHE 79 Cb 0.13 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 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 1.79 -0.50 3.08 1.37 0.00 -0.91 -4.87 105.19 105.14 2ki8 n GLY 80 Ca -0.26 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.83 0.57 -0.04 1.61 -1.05 -1.25 -1.27 118.70 115.44 2ki8 s GLU 81 Ca 0.00 -0.94 -0.20 0.00 -0.15 0.00 0.00 54.97 53.68 2ki8 s GLU 81 Cb 0.00 -0.11 0.04 0.00 -0.44 0.00 0.00 34.13 33.62 2ki8 s GLU 81 CO 0.00 -0.01 0.44 0.54 0.95 0.00 0.00 175.26 177.17 2ki8 s VAL 82 N -2.34 0.04 -0.23 1.83 0.11 -0.58 -4.92 120.40 114.30 2ki8 s VAL 82 Ca -0.03 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2ki8 s VAL 82 Cb -0.03 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 2ki8 s VAL 82 CO -0.03 -0.16 -0.01 -0.69 -3.33 0.00 0.00 175.10 170.88 2ki8 s VAL 83 N -1.19 3.63 0.34 2.04 1.01 -1.26 -0.95 120.40 124.03 2ki8 s VAL 83 Ca -0.12 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2ki8 s VAL 83 Cb -0.03 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2ki8 s VAL 83 CO 0.06 0.40 0.10 0.68 0.00 0.00 0.00 175.10 176.34 2ki8 s VAL 84 N 1.51 0.82 0.24 2.92 -7.23 -0.69 -2.46 120.40 115.51 2ki8 s VAL 84 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 2ki8 s VAL 84 Cb -0.14 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 2ki8 s VAL 84 CO -0.01 0.00 1.04 -0.36 -0.31 0.00 0.00 175.10 175.46 2ki8 s PHE 85 N -3.36 3.73 -0.14 2.82 0.08 -0.11 -1.41 117.98 119.58 2ki8 s PHE 85 Ca 0.32 1.76 -0.23 0.00 0.12 0.00 0.00 56.93 58.91 2ki8 s PHE 85 Cb 0.06 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 2ki8 s PHE 85 CO 0.15 -0.19 0.69 0.00 -0.10 0.00 0.00 175.22 175.77 2ki8 s ALA 86 N -0.98 3.46 0.06 5.36 0.00 -0.57 -1.32 121.76 127.77 2ki8 s ALA 86 Ca 0.44 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2ki8 s ALA 86 Cb -0.29 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2ki8 s ALA 86 CO 0.37 -0.39 -0.15 0.15 0.00 0.00 0.00 175.76 175.74 2ki8 s LYS 87 N 1.51 0.89 -0.18 0.00 1.02 -0.36 -3.86 119.74 118.76 2ki8 s LYS 87 Ca 0.34 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 55.22 2ki8 s LYS 87 Cb -0.17 -0.91 -0.02 0.00 -0.52 0.00 0.00 37.83 36.21 2ki8 s LYS 87 CO 0.13 0.21 0.69 0.21 -0.92 0.00 0.00 175.35 175.68 2ki8 s LYS 88 N -1.49 4.25 0.39 1.68 2.20 -1.26 0.08 119.74 125.59 2ki8 s LYS 88 Ca -0.00 0.75 0.05 0.00 -0.36 0.00 0.00 55.97 56.40 2ki8 s LYS 88 Cb -0.09 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 2ki8 s LYS 88 CO 0.02 -0.24 0.04 0.20 -0.36 0.00 0.00 175.35 175.01 2ki8 s GLY 89 N 1.15 2.40 -0.04 5.54 0.00 -0.22 -4.75 107.32 111.40 2ki8 s GLY 89 Ca 0.32 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2ki8 s GLY 89 CO 0.11 -1.97 1.06 1.22 0.00 0.00 0.00 173.10 173.53 2ki8 n ASP 90 N -0.92 3.00 -4.89 1.64 9.92 -1.26 -4.57 116.55 119.47 2ki8 n ASP 90 Ca -0.06 -2.14 -0.31 0.00 -0.53 0.00 0.00 54.79 51.76 2ki8 n ASP 90 Cb 0.67 -0.53 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 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 -0.32 4.96 1.12 2.53 -7.23 -1.26 -5.10 120.40 115.10 2ki8 s VAL 91 Ca 0.05 0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.35 2ki8 s VAL 91 Cb 0.04 -3.67 0.25 0.00 0.56 0.00 0.00 36.38 33.57 2ki8 s VAL 91 CO 0.01 -0.19 1.16 -2.16 -0.31 0.00 0.00 175.10 173.61 2ki8 s PRO 92 N -3.15 -0.58 0.39 4.82 0.04 -1.26 -4.50 135.00 130.76 2ki8 s PRO 92 Ca 0.46 -0.11 -0.27 0.00 0.04 0.00 0.00 61.00 61.12 2ki8 s PRO 92 Cb -0.11 -1.68 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2ki8 s PRO 92 CO 0.25 -3.28 1.40 0.21 0.04 0.00 0.00 177.00 175.62 2ki8 s LYS 93 N -5.50 4.01 -1.54 4.56 2.47 -1.26 -2.77 119.74 119.70 2ki8 s LYS 93 Ca 0.71 2.37 -0.04 0.00 -1.56 0.00 0.00 55.97 57.45 2ki8 s LYS 93 Cb -0.09 -2.86 0.01 0.00 -1.46 0.00 0.00 37.83 33.44 2ki8 s LYS 93 CO 0.55 -0.53 0.49 0.41 0.16 0.00 0.00 175.35 176.43 2ki8 n GLY 94 N 0.60 -0.52 3.27 5.54 0.00 -1.26 -4.95 105.19 107.87 2ki8 n GLY 94 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.62 0.43 0.02 1.61 0.00 -1.11 -0.92 119.30 113.70 2ki8 s MET 95 Ca 0.26 0.62 0.01 0.00 0.00 0.00 0.00 55.69 56.58 2ki8 s MET 95 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.83 2ki8 s MET 95 CO 0.32 -0.09 -0.05 0.96 0.00 0.00 0.00 175.02 176.17 2ki8 s ILE 96 N 0.59 0.32 -0.10 10.11 -4.36 -0.04 -3.96 121.20 123.77 2ki8 s ILE 96 Ca -0.03 -0.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 2ki8 s ILE 96 Cb -0.05 -0.38 -0.03 0.00 1.25 0.00 0.00 42.46 43.26 2ki8 s ILE 96 CO -0.04 -0.26 -0.06 0.12 0.24 0.00 0.00 174.94 174.94 2ki8 s PHE 97 N -0.96 2.97 -0.05 1.37 5.36 -0.76 -0.74 117.98 125.18 2ki8 s PHE 97 Ca -0.08 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.84 2ki8 s PHE 97 Cb -0.07 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2ki8 s PHE 97 CO -0.00 0.21 -0.16 0.42 -1.46 0.00 0.00 175.22 174.23 2ki8 s ILE 98 N -0.44 1.39 0.36 3.12 1.01 0.64 -0.48 121.20 126.81 2ki8 s ILE 98 Ca 0.07 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 2ki8 s ILE 98 Cb -0.12 -1.21 -0.12 0.00 0.01 0.00 0.00 42.46 41.02 2ki8 s ILE 98 CO 0.02 0.41 1.05 -2.65 0.00 0.00 0.00 174.94 173.76 2ki8 n PRO 99 N 3.33 1.47 -1.58 2.79 -0.02 -1.26 -2.25 135.00 137.48 2ki8 n PRO 99 Ca -0.19 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 2ki8 n PRO 99 Cb 0.53 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.43 1.57 -3.87 -0.52 1.56 -1.03 -4.51 117.12 110.75 2ki8 n MET 100 Ca 0.09 0.31 -0.04 0.00 -0.27 0.00 0.00 57.70 57.79 2ki8 n MET 100 Cb 0.36 -3.30 0.02 0.00 2.15 0.00 0.00 33.22 32.45 2ki8 n MET 100 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2ki8 s GLY 101 N 9.87 0.14 0.39 -5.12 0.00 -1.26 -4.88 107.32 106.45 2ki8 s GLY 101 Ca 1.00 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 45.43 2ki8 s GLY 101 CO 0.32 2.07 1.99 -0.56 0.00 0.00 0.00 173.10 176.93 2ki8 h PRO 102 N 2.00 0.59 0.01 2.90 0.13 -1.90 0.22 132.00 135.96 2ki8 h PRO 102 Ca -0.28 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ki8 h PRO 102 Cb 1.22 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ki8 h PRO 102 CO 0.36 0.39 -0.01 1.88 -0.23 0.00 0.00 178.00 180.40 2ki8 h TYR 103 N 0.61 -0.02 -0.50 1.56 -1.99 -1.92 -2.01 116.97 112.71 2ki8 h TYR 103 Ca 0.26 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.91 2ki8 h TYR 103 Cb 0.24 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 2ki8 h TYR 103 CO -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 2ki8 h ALA 104 N 0.97 1.07 -0.00 3.88 0.00 -1.62 -2.52 119.26 121.04 2ki8 h ALA 104 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ki8 h ALA 104 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2ki8 h ALA 104 CO 0.00 0.58 0.17 -0.97 0.00 0.00 0.00 179.25 179.04 2ki8 h ASN 105 N 0.77 0.00 1.03 0.00 -1.24 -0.05 0.40 115.58 116.49 2ki8 h ASN 105 Ca 0.15 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 2ki8 h ASN 105 Cb 0.46 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 2ki8 h ASN 105 CO 0.02 0.00 -0.26 0.24 -1.29 0.00 0.00 177.43 176.14 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -0.91 -3.36 114.93 120.18 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 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2ki8 h MET 106 CO -0.00 0.26 0.00 1.33 1.06 0.00 0.00 176.91 179.56 2ki8 n VAL 107 N -3.37 0.00 -3.41 -2.22 0.24 0.40 -2.15 118.33 107.81 2ki8 n VAL 107 Ca 0.00 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 61.85 2ki8 n VAL 107 Cb 0.48 1.04 0.03 0.00 -1.47 0.00 0.00 33.84 33.92 2ki8 n VAL 107 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2ki8 n ILE 108 N -0.49 0.00 -3.74 1.34 -5.35 0.11 -4.68 119.36 106.55 2ki8 n ILE 108 Ca 0.00 -1.60 -0.37 0.00 -0.27 0.00 0.00 62.75 60.51 2ki8 n ILE 108 Cb 0.01 -0.38 -0.12 0.00 -1.74 0.00 0.00 39.64 37.41 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 -3.65 5.17 0.00 7.28 2.15 -1.26 -4.85 116.67 121.51 2ki8 s ASP 109 Ca 0.36 -0.39 0.31 0.00 0.43 0.00 0.00 52.55 53.26 2ki8 s ASP 109 Cb -0.03 -1.92 1.71 0.00 -0.30 0.00 0.00 42.92 42.39 2ki8 s ASP 109 CO 0.23 -0.10 2.13 -2.65 -0.17 0.00 0.00 175.17 174.61 2ki8 n PRO 110 N 4.92 0.95 0.06 4.34 -0.02 -1.26 -3.93 135.00 140.06 2ki8 n PRO 110 Ca -0.15 -0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 60.99 2ki8 n PRO 110 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 2ki8 n PRO 110 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ki8 h SER 111 N 0.27 0.55 -3.23 2.55 0.87 -2.03 -3.45 113.55 109.09 2ki8 h SER 111 Ca 0.00 -0.91 -0.57 0.00 -1.23 0.00 0.00 61.79 59.08 2ki8 h SER 111 Cb 0.12 -0.18 0.11 0.00 -0.44 0.00 0.00 62.40 62.01 2ki8 h SER 111 CO 0.00 1.70 0.49 1.07 -0.53 0.00 0.00 176.83 179.56 2ki8 n THR 112 N -3.76 1.94 0.00 2.23 5.66 -1.25 -4.34 114.28 114.75 2ki8 n THR 112 Ca -0.23 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.28 2ki8 n THR 112 Cb 1.00 -1.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 2ki8 n THR 112 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ki8 n ASP 113 N 0.88 0.00 -1.98 1.09 2.03 -1.26 -4.79 116.55 112.51 2ki8 n ASP 113 Ca 0.05 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.17 2ki8 n ASP 113 Cb 0.36 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.71 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ki8 n GLY 114 N 0.00 0.69 1.62 0.27 0.00 -1.26 -4.79 105.19 101.71 2ki8 n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.09 0.11 0.00 2.61 -1.04 -1.26 -5.09 114.28 106.51 2ki8 n THR 115 Ca -0.21 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2ki8 n THR 115 Cb 0.66 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 2.12 0.05 3.78 3.41 0.00 -1.26 -5.16 105.19 108.13 2ki8 n GLY 116 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.21 -0.48 1.61 -1.94 -1.26 -5.03 119.30 115.41 2ki8 s MET 117 Ca 0.00 -0.27 -0.06 0.00 -1.71 0.00 0.00 55.69 53.65 2ki8 s MET 117 Cb 0.00 -2.99 -0.09 0.00 2.01 0.00 0.00 34.83 33.76 2ki8 s MET 117 CO 0.00 0.74 3.13 -0.35 -0.01 0.00 0.00 175.02 178.53 2ki8 n PRO 118 N 2.05 2.60 -2.57 2.03 -0.04 -1.26 -4.95 135.00 132.86 2ki8 n PRO 118 Ca -0.19 -1.86 -0.42 0.00 -0.04 0.00 0.00 63.50 60.98 2ki8 n PRO 118 Cb 0.54 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 2ki8 n PRO 118 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ki8 s GLN 119 N -0.04 4.44 0.64 0.54 0.74 -1.26 -5.05 119.66 119.67 2ki8 s GLN 119 Ca 0.63 1.56 -0.05 0.00 0.05 0.00 0.00 55.36 57.55 2ki8 s GLN 119 Cb 0.31 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.98 2ki8 s GLN 119 CO -0.10 -0.28 0.94 -0.06 -0.55 0.00 0.00 175.29 175.24 2ki8 s PHE 120 N 1.63 2.99 0.31 1.67 0.40 -1.26 -4.95 117.98 118.77 2ki8 s PHE 120 Ca 0.54 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 2ki8 s PHE 120 Cb -0.23 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.31 2ki8 s PHE 120 CO 0.24 -1.15 0.00 1.63 0.70 0.00 0.00 175.22 176.64 2ki8 n LYS 121 N -2.72 -1.69 0.00 0.44 5.02 -1.26 -5.11 118.16 112.84 2ki8 n LYS 121 Ca 0.07 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.72 2ki8 n LYS 121 Cb 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ki8 n GLY 122 N -3.25 4.77 3.57 0.72 0.00 -1.26 -4.90 105.19 104.83 2ki8 n GLY 122 Ca -0.04 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 2.42 5.26 0.63 1.61 1.01 0.91 -4.87 120.40 127.36 2ki8 s VAL 123 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 2ki8 s VAL 123 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2ki8 s VAL 123 CO 0.00 0.18 1.07 -0.54 0.00 0.00 0.00 175.10 175.81 2ki8 s LYS 124 N 1.74 3.10 0.00 2.72 1.02 -1.26 0.28 119.74 127.34 2ki8 s LYS 124 Ca 0.07 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2ki8 s LYS 124 Cb -0.16 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2ki8 s LYS 124 CO 0.11 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 2ki8 n GLY 125 N -0.94 -0.79 3.05 -3.33 0.00 0.97 -4.67 105.19 99.47 2ki8 n GLY 125 Ca 0.09 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N -2.00 0.16 0.04 2.61 -4.23 0.56 -1.50 115.64 111.28 2ki8 s THR 126 Ca 0.00 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 2ki8 s THR 126 Cb 0.00 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2ki8 s THR 126 CO 0.00 -0.72 -0.10 0.54 -0.54 0.00 0.00 174.62 173.80 2ki8 s VAL 127 N -2.65 0.73 0.14 2.29 0.11 0.49 -1.22 120.40 120.29 2ki8 s VAL 127 Ca -0.05 -1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 57.86 2ki8 s VAL 127 Cb -0.01 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2ki8 s VAL 127 CO -0.05 -0.22 0.37 -1.83 -3.33 0.00 0.00 175.10 170.04 2ki8 s GLU 128 N -1.35 1.11 0.12 1.54 -1.05 0.01 -1.68 118.70 117.41 2ki8 s GLU 128 Ca -0.05 -0.86 -0.21 0.00 -0.15 0.00 0.00 54.97 53.70 2ki8 s GLU 128 Cb -0.09 0.44 -0.07 0.00 -0.44 0.00 0.00 34.13 33.97 2ki8 s GLU 128 CO 0.01 -0.43 0.65 0.21 0.95 0.00 0.00 175.26 176.65 2ki8 s LYS 129 N -3.86 4.32 0.01 -4.83 2.20 -1.26 0.12 119.74 116.44 2ki8 s LYS 129 Ca 0.07 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 2ki8 s LYS 129 Cb 0.02 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2ki8 s LYS 129 CO -0.08 0.59 -0.02 -0.08 -0.36 0.00 0.00 175.35 175.40 2ki8 s THR 130 N -1.18 0.09 -0.90 3.43 -1.32 -0.87 -4.80 115.64 110.09 2ki8 s THR 130 Ca 0.33 -0.28 0.23 0.00 -1.21 0.00 0.00 61.69 60.75 2ki8 s THR 130 Cb -0.20 -0.13 0.21 0.00 -1.51 0.00 0.00 72.50 70.87 2ki8 s THR 130 CO 0.22 -0.13 1.72 -0.90 -2.21 0.00 0.00 174.62 173.32 2ki8 n ASP 131 N 2.65 0.20 -4.72 8.08 5.75 -1.26 -4.31 116.55 122.93 2ki8 n ASP 131 Ca -0.15 0.53 -0.34 0.00 -0.01 0.00 0.00 54.79 54.82 2ki8 n ASP 131 Cb 0.58 -0.58 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ki8 s GLU 132 N -3.05 2.06 0.64 0.11 0.41 -1.26 -5.02 118.70 112.58 2ki8 s GLU 132 Ca 0.10 1.77 -0.10 0.00 -0.41 0.00 0.00 54.97 56.33 2ki8 s GLU 132 Cb 0.14 -1.82 -0.02 0.00 -1.78 0.00 0.00 34.13 30.65 2ki8 s GLU 132 CO 0.43 -1.90 1.03 -1.59 -0.49 0.00 0.00 175.26 172.74 2ki8 s LYS 133 N -3.93 3.26 0.18 1.61 -2.85 -1.26 -4.80 119.74 111.95 2ki8 s LYS 133 Ca 0.74 0.55 -0.30 0.00 -1.00 0.00 0.00 55.97 55.97 2ki8 s LYS 133 Cb -0.29 -2.09 -0.08 0.00 -2.06 0.00 0.00 37.83 33.31 2ki8 s LYS 133 CO 0.46 -0.74 1.07 0.08 0.10 0.00 0.00 175.35 176.33 2ki8 s VAL 134 N -3.21 3.93 0.27 1.79 1.01 -1.26 -4.79 120.40 118.14 2ki8 s VAL 134 Ca 0.56 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.92 2ki8 s VAL 134 Cb -0.11 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 2ki8 s VAL 134 CO 0.52 0.30 1.63 0.18 0.00 0.00 0.00 175.10 177.73 2ki8 n LEU 135 N 2.30 4.24 -4.77 3.92 4.77 -1.03 -4.99 117.00 121.44 2ki8 n LEU 135 Ca 0.02 1.12 -0.38 0.00 -0.03 0.00 0.00 56.01 56.75 2ki8 n LEU 135 Cb 0.46 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 2ki8 n LEU 135 CO 0.53 0.16 0.72 -0.55 -1.33 0.00 0.00 177.39 176.91 2ki8 s SER 136 N 0.70 7.10 0.31 -1.43 0.15 -1.26 -4.87 113.70 114.39 2ki8 s SER 136 Ca 0.67 2.02 0.07 0.00 0.70 0.00 0.00 55.95 59.42 2ki8 s SER 136 Cb -0.50 -2.59 0.82 0.00 -1.71 0.00 0.00 66.02 62.03 2ki8 s SER 136 CO 0.44 -0.25 1.71 0.58 1.20 0.00 0.00 173.24 176.93 2ki8 h VAL 137 N 2.58 0.51 -0.21 4.45 2.07 -1.98 0.30 116.25 123.98 2ki8 h VAL 137 Ca -0.47 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 66.71 2ki8 h VAL 137 Cb 1.21 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2ki8 h VAL 137 CO 0.64 0.09 -0.53 0.50 0.02 0.00 0.00 177.57 178.30 2ki8 h LYS 138 N 0.50 0.72 -0.77 1.57 3.64 -2.00 -3.00 116.57 117.23 2ki8 h LYS 138 Ca 0.61 -0.50 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2ki8 h LYS 138 Cb 1.16 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2ki8 h LYS 138 CO -0.50 1.12 0.51 1.49 -2.27 0.00 0.00 179.45 179.80 2ki8 h GLU 139 N 0.44 0.89 -0.72 1.90 4.57 -0.91 -0.56 114.58 120.18 2ki8 h GLU 139 Ca -0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2ki8 h GLU 139 Cb 1.14 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 2ki8 h GLU 139 CO 0.11 0.59 0.33 1.25 -1.18 0.00 0.00 179.01 180.11 2ki8 h LEU 140 N 0.91 0.93 -0.86 1.64 6.46 -0.75 0.32 115.31 123.97 2ki8 h LEU 140 Ca 0.31 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 2ki8 h LEU 140 Cb 0.09 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 2ki8 h LEU 140 CO -0.09 0.80 0.56 -0.07 -0.62 0.00 0.00 178.44 179.02 2ki8 h LEU 141 N 1.02 0.97 -0.95 2.25 3.38 -0.97 -1.59 115.31 119.41 2ki8 h LEU 141 Ca 0.25 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2ki8 h LEU 141 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2ki8 h LEU 141 CO -0.03 0.69 -0.53 -0.33 0.09 0.00 0.00 178.44 178.33 2ki8 h GLU 142 N 1.14 0.00 -0.31 1.13 5.08 -0.93 -2.62 114.58 118.06 2ki8 h GLU 142 Ca 0.32 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2ki8 h GLU 142 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2ki8 h GLU 142 CO -0.08 0.53 -0.08 0.00 -1.00 0.00 0.00 179.01 178.38 2ki8 h ALA 143 N 1.47 0.43 0.00 3.43 0.00 -0.14 -2.93 119.26 121.52 2ki8 h ALA 143 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ki8 h ALA 143 Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ki8 h ALA 143 CO 0.07 0.27 0.00 0.44 0.00 0.00 0.00 179.25 180.02 2ki8 n ILE 144 N -4.46 0.31 0.00 0.00 -6.64 -0.68 -4.94 119.36 102.96 2ki8 n ILE 144 Ca -0.03 0.08 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 2ki8 n ILE 144 Cb 0.33 -0.67 0.00 0.00 -1.44 0.00 0.00 39.64 37.85 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 0.86 2.74 0.00 3.28 0.00 -1.11 -5.11 105.19 105.85 2ki8 n GLY 145 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18