#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 -1.30 3.69 3.03 0.00 -1.26 -5.14 105.19 104.21 2ki8 n GLY 2 Ca 0.00 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 7.13 0.39 1.61 1.04 -1.26 -5.03 113.70 117.57 2ki8 s SER 3 Ca 0.00 1.76 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 2ki8 s SER 3 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 2ki8 s SER 3 CO 0.00 -0.51 0.82 -0.44 0.98 0.00 0.00 173.24 174.09 2ki8 s SER 4 N 1.30 6.74 -0.24 7.02 0.01 -1.26 -5.09 113.70 122.17 2ki8 s SER 4 Ca 0.54 1.38 -0.21 0.00 1.31 0.00 0.00 55.95 58.96 2ki8 s SER 4 Cb -0.23 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 63.64 2ki8 s SER 4 CO 0.22 -0.33 0.64 -1.38 0.41 0.00 0.00 173.24 172.81 2ki8 s HIS 5 N -2.19 -0.74 0.05 2.43 0.00 -1.26 -5.18 115.29 108.41 2ki8 s HIS 5 Ca 0.56 1.75 0.09 0.00 -3.00 0.00 0.00 55.06 54.46 2ki8 s HIS 5 Cb -0.10 0.28 -0.03 0.00 -4.00 0.00 0.00 32.58 28.73 2ki8 s HIS 5 CO 0.21 -0.36 -0.26 -3.38 -1.00 0.00 0.00 174.74 169.96 2ki8 s HIS 6 N 0.49 2.25 0.43 0.38 -0.00 -1.26 -5.14 115.29 112.44 2ki8 s HIS 6 Ca -0.01 -0.41 -0.11 0.00 -0.00 0.00 0.00 55.06 54.53 2ki8 s HIS 6 Cb -0.05 -1.34 -0.07 0.00 -0.00 0.00 0.00 32.58 31.13 2ki8 s HIS 6 CO -0.01 0.14 0.81 -1.01 -0.00 0.00 0.00 174.74 174.66 2ki8 s HIS 7 N -0.82 3.47 0.03 0.38 4.02 -1.26 -5.10 115.29 116.01 2ki8 s HIS 7 Ca 0.11 1.12 0.07 0.00 1.02 0.00 0.00 55.06 57.38 2ki8 s HIS 7 Cb -0.10 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.58 28.93 2ki8 s HIS 7 CO 0.02 -0.17 -0.20 -3.38 1.02 0.00 0.00 174.74 172.03 2ki8 s HIS 8 N -2.44 1.78 0.00 1.40 0.00 -1.26 -5.15 115.29 109.62 2ki8 s HIS 8 Ca 0.53 -0.36 -0.22 0.00 -3.00 0.00 0.00 55.06 52.00 2ki8 s HIS 8 Cb -0.10 -1.09 0.05 0.00 -4.00 0.00 0.00 32.58 27.44 2ki8 s HIS 8 CO 0.32 0.05 0.49 -3.38 -1.00 0.00 0.00 174.74 171.22 2ki8 s HIS 9 N -0.70 -0.39 -0.24 0.38 -0.00 -1.26 -5.15 115.29 107.93 2ki8 s HIS 9 Ca 0.07 0.56 -0.02 0.00 -0.00 0.00 0.00 55.06 55.66 2ki8 s HIS 9 Cb -0.08 0.27 0.02 0.00 -0.00 0.00 0.00 32.58 32.78 2ki8 s HIS 9 CO 0.01 -0.55 -0.05 -3.38 -0.00 0.00 0.00 174.74 170.77 2ki8 s HIS 10 N -1.76 3.03 -0.76 0.38 0.00 -1.26 -5.07 115.29 109.85 2ki8 s HIS 10 Ca -0.09 -1.36 -0.26 0.00 -3.00 0.00 0.00 55.06 50.34 2ki8 s HIS 10 Cb -0.02 -2.08 0.02 0.00 -4.00 0.00 0.00 32.58 26.50 2ki8 s HIS 10 CO 0.03 -0.68 1.49 -1.12 -1.00 0.00 0.00 174.74 173.46 2ki8 s SER 11 N 1.38 5.92 -0.24 7.38 0.01 -1.26 -4.98 113.70 121.91 2ki8 s SER 11 Ca 0.02 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 2ki8 s SER 11 Cb -0.16 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 2ki8 s SER 11 CO -0.04 -1.98 0.08 -0.44 0.41 0.00 0.00 173.24 171.26 2ki8 s SER 12 N 5.26 5.27 0.00 2.44 0.01 -1.26 -5.08 113.70 120.33 2ki8 s SER 12 Ca 0.47 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2ki8 s SER 12 Cb -0.08 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2ki8 s SER 12 CO 0.12 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2ki8 n GLY 13 N 4.70 5.05 2.67 3.44 0.00 -1.26 -5.19 105.19 114.60 2ki8 n GLY 13 Ca -0.16 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 2ki8 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ki8 n ARG 14 N 0.00 1.07 -3.10 1.61 1.74 -1.26 -5.17 116.66 111.55 2ki8 n ARG 14 Ca 0.00 -2.65 -0.18 0.00 -0.77 0.00 0.00 57.85 54.25 2ki8 n ARG 14 Cb 0.00 0.63 0.01 0.00 -1.02 0.00 0.00 32.46 32.08 2ki8 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2ki8 s GLU 15 N -3.39 2.75 -0.32 5.56 1.03 -1.26 -5.10 118.70 117.97 2ki8 s GLU 15 Ca 0.04 -1.31 -0.09 0.00 0.03 0.00 0.00 54.97 53.64 2ki8 s GLU 15 Cb -0.00 -2.69 0.01 0.00 -0.80 0.00 0.00 34.13 30.64 2ki8 s GLU 15 CO 0.03 -0.29 0.14 -0.80 -1.33 0.00 0.00 175.26 173.00 2ki8 s ASN 16 N -4.33 5.43 0.68 0.83 -0.87 -1.26 -5.10 114.94 110.33 2ki8 s ASN 16 Ca 0.54 -0.69 -0.11 0.00 -1.57 0.00 0.00 52.86 51.03 2ki8 s ASN 16 Cb -0.09 -1.96 -0.00 0.00 -0.02 0.00 0.00 41.25 39.18 2ki8 s ASN 16 CO 0.32 -0.23 1.07 -0.76 -2.57 0.00 0.00 177.10 174.93 2ki8 s LEU 17 N 1.56 3.03 -0.19 0.60 1.02 -1.26 -5.04 118.68 118.39 2ki8 s LEU 17 Ca 0.03 1.34 -0.17 0.00 0.02 0.00 0.00 54.13 55.35 2ki8 s LEU 17 Cb -0.18 -4.23 -0.04 0.00 0.02 0.00 0.00 46.19 41.77 2ki8 s LEU 17 CO 0.05 -1.26 0.46 -0.31 0.02 0.00 0.00 176.35 175.31 2ki8 s TYR 18 N -3.21 3.39 -0.04 0.29 2.02 -1.26 -5.08 117.35 113.45 2ki8 s TYR 18 Ca 0.57 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 2ki8 s TYR 18 Cb -0.12 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2ki8 s TYR 18 CO 0.53 -0.03 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.41 2ki8 s PHE 19 N 1.39 3.10 -0.72 2.71 0.08 -1.26 -5.08 117.98 118.19 2ki8 s PHE 19 Ca 0.22 0.12 -0.17 0.00 0.12 0.00 0.00 56.93 57.22 2ki8 s PHE 19 Cb -0.15 -1.72 0.15 0.00 -0.57 0.00 0.00 43.02 40.73 2ki8 s PHE 19 CO 0.09 0.45 0.76 -1.14 -0.10 0.00 0.00 175.22 175.28 2ki8 s GLN 20 N -1.21 3.33 0.00 0.44 0.74 -1.26 -4.90 119.66 116.80 2ki8 s GLN 20 Ca 0.16 -1.87 0.00 0.00 0.05 0.00 0.00 55.36 53.70 2ki8 s GLN 20 Cb -0.11 -4.44 0.00 0.00 1.10 0.00 0.00 33.01 29.56 2ki8 s GLN 20 CO 0.06 -1.45 0.00 0.41 -0.55 0.00 0.00 175.29 173.76 2ki8 n GLY 21 N 4.84 1.45 3.53 2.59 0.00 -1.26 -5.14 105.19 111.21 2ki8 n GLY 21 Ca 0.03 0.46 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 2ki8 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ki8 s HIS 22 N 0.00 3.19 0.73 1.61 5.04 -1.26 -5.08 115.29 119.53 2ki8 s HIS 22 Ca 0.00 -0.11 -0.11 0.00 -1.54 0.00 0.00 55.06 53.31 2ki8 s HIS 22 Cb 0.00 -2.77 0.04 0.00 0.04 0.00 0.00 32.58 29.90 2ki8 s HIS 22 CO 0.00 -0.52 1.10 0.00 -2.34 0.00 0.00 174.74 172.97 2ki8 s MET 23 N 2.10 2.46 -0.12 2.88 0.23 -1.26 -4.87 119.30 120.71 2ki8 s MET 23 Ca 0.13 0.21 0.03 0.00 -1.03 0.00 0.00 55.69 55.02 2ki8 s MET 23 Cb -0.17 -2.04 0.01 0.00 -1.53 0.00 0.00 34.83 31.11 2ki8 s MET 23 CO 0.12 -1.23 -0.21 -0.51 -2.03 0.00 0.00 175.02 171.16 2ki8 s LEU 24 N -5.39 2.01 -0.23 0.18 1.43 -0.85 -4.96 118.68 110.87 2ki8 s LEU 24 Ca 0.59 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2ki8 s LEU 24 Cb -0.11 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2ki8 s LEU 24 CO 0.49 0.09 1.50 -0.70 0.23 0.00 0.00 176.35 177.97 2ki8 s GLU 25 N 0.68 3.88 0.18 1.70 2.12 -1.26 -1.06 118.70 124.94 2ki8 s GLU 25 Ca -0.11 1.57 0.06 0.00 0.36 0.00 0.00 54.97 56.85 2ki8 s GLU 25 Cb -0.16 -3.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 2ki8 s GLU 25 CO 0.02 -1.18 -0.13 0.14 -0.54 0.00 0.00 175.26 173.58 2ki8 s VAL 26 N 4.77 1.52 -0.31 3.70 -7.23 0.57 -4.53 120.40 118.87 2ki8 s VAL 26 Ca 0.66 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 2ki8 s VAL 26 Cb -0.23 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2ki8 s VAL 26 CO 0.26 -0.65 0.25 -0.70 -0.31 0.00 0.00 175.10 173.95 2ki8 s GLU 27 N -3.69 3.70 -0.46 4.82 2.12 -0.25 -0.02 118.70 124.92 2ki8 s GLU 27 Ca 0.20 -0.45 -0.20 0.00 0.36 0.00 0.00 54.97 54.88 2ki8 s GLU 27 Cb 0.01 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.69 2ki8 s GLU 27 CO 0.04 -0.35 0.65 0.08 -0.54 0.00 0.00 175.26 175.14 2ki8 s VAL 28 N 1.80 4.82 0.01 3.70 1.01 0.76 -0.75 120.40 131.77 2ki8 s VAL 28 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ki8 s VAL 28 Cb -0.17 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2ki8 s VAL 28 CO 0.11 -0.68 0.14 0.27 0.00 0.00 0.00 175.10 174.93 2ki8 s ILE 29 N 2.81 5.06 -0.42 2.22 -4.36 -0.93 -0.02 121.20 125.56 2ki8 s ILE 29 Ca 0.21 -0.36 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 2ki8 s ILE 29 Cb -0.15 -3.37 0.08 0.00 1.25 0.00 0.00 42.46 40.26 2ki8 s ILE 29 CO 0.17 0.28 0.27 -0.44 0.24 0.00 0.00 174.94 175.46 2ki8 s SER 30 N -2.01 5.65 -0.81 4.36 0.01 -1.24 -0.86 113.70 118.81 2ki8 s SER 30 Ca 0.27 -1.54 -0.25 0.00 1.31 0.00 0.00 55.95 55.74 2ki8 s SER 30 Cb -0.12 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2ki8 s SER 30 CO 0.19 -0.55 1.73 -0.83 0.41 0.00 0.00 173.24 174.19 2ki8 s GLY 31 N 2.17 0.48 -0.90 3.44 0.00 -0.11 -4.50 107.32 107.90 2ki8 s GLY 31 Ca 0.03 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 2ki8 s GLY 31 CO 0.02 3.20 2.00 1.09 0.00 0.00 0.00 173.10 179.41 2ki8 s ARG 32 N 6.47 2.44 0.46 2.90 1.70 -1.26 -1.12 118.95 130.54 2ki8 s ARG 32 Ca 0.60 -0.25 0.07 0.00 -0.47 0.00 0.00 55.73 55.68 2ki8 s ARG 32 Cb -0.08 -5.04 -0.01 0.00 -0.57 0.00 0.00 34.95 29.25 2ki8 s ARG 32 CO 0.07 -3.54 0.32 0.95 -1.08 0.00 0.00 175.30 172.02 2ki8 s THR 33 N 10.70 2.19 0.00 4.99 -4.23 -1.26 -4.76 115.64 123.27 2ki8 s THR 33 Ca 0.73 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2ki8 s THR 33 Cb -0.07 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2ki8 s THR 33 CO 0.01 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 173.98 2ki8 n LEU 34 N -1.52 0.00 -2.63 4.79 7.94 -1.26 -4.72 117.00 119.60 2ki8 n LEU 34 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 2ki8 n LEU 34 Cb 0.64 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.56 2ki8 n LEU 34 CO 0.42 0.00 -0.58 0.59 -1.11 0.00 0.00 177.39 176.71 2ki8 n ASN 35 N 1.95 -4.02 0.02 1.96 3.02 -1.26 -5.04 115.26 111.88 2ki8 n ASN 35 Ca 0.00 1.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.92 2ki8 n ASN 35 Cb 0.00 -5.24 0.00 0.00 -0.61 0.00 0.00 39.78 33.93 2ki8 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ki8 n GLN 36 N 1.20 0.00 -0.21 3.52 1.13 -1.26 -5.03 117.38 116.72 2ki8 n GLN 36 Ca -0.22 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 2ki8 n GLN 36 Cb 0.34 -0.13 0.00 0.00 0.11 0.00 0.00 30.24 30.55 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ki8 n GLY 37 N 1.92 2.33 3.78 1.08 0.00 -1.26 -5.02 105.19 108.03 2ki8 n GLY 37 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 s ALA 38 N -3.13 3.18 0.74 4.61 0.00 -1.26 -5.04 121.76 120.85 2ki8 s ALA 38 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 2ki8 s ALA 38 Cb 0.00 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2ki8 s ALA 38 CO 0.00 0.12 1.23 -0.08 0.00 0.00 0.00 175.76 177.03 2ki8 s THR 39 N -1.68 2.17 0.50 0.00 -1.32 -1.26 -4.90 115.64 109.15 2ki8 s THR 39 Ca 0.52 0.08 0.19 0.00 -1.21 0.00 0.00 61.69 61.28 2ki8 s THR 39 Cb -0.18 -2.69 0.33 0.00 -1.51 0.00 0.00 72.50 68.45 2ki8 s THR 39 CO 0.23 -0.04 2.05 -0.37 -2.21 0.00 0.00 174.62 174.28 2ki8 h VAL 40 N -0.30 0.88 -0.32 5.08 -1.51 -2.01 -0.80 116.25 117.28 2ki8 h VAL 40 Ca -0.48 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2ki8 h VAL 40 Cb 1.30 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 2ki8 h VAL 40 CO 0.49 0.02 0.17 -0.08 -1.23 0.00 0.00 177.57 176.95 2ki8 h GLU 41 N 0.10 0.43 -0.95 5.19 4.81 -2.00 0.94 114.58 123.10 2ki8 h GLU 41 Ca 0.16 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2ki8 h GLU 41 Cb 0.51 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 2ki8 h GLU 41 CO -0.02 0.32 0.59 1.49 -0.73 0.00 0.00 179.01 180.66 2ki8 h GLU 42 N 0.43 1.00 0.00 1.92 4.22 -1.49 -3.38 114.58 117.29 2ki8 h GLU 42 Ca 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2ki8 h GLU 42 Cb 0.01 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2ki8 h GLU 42 CO -0.02 0.66 -0.37 1.63 -2.18 0.00 0.00 179.01 178.73 2ki8 n LYS 43 N -4.60 0.20 -1.35 1.92 5.02 -0.88 -4.97 118.16 113.50 2ki8 n LYS 43 Ca 0.16 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2ki8 n LYS 43 Cb 0.25 -0.78 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 2ki8 n LYS 43 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ki8 n LEU 44 N -3.34 -0.65 -4.85 -0.35 4.77 0.27 -4.92 117.00 107.93 2ki8 n LEU 44 Ca -0.05 0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.83 2ki8 n LEU 44 Cb 0.19 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 2ki8 n LEU 44 CO 0.08 -0.43 0.68 0.28 -1.33 0.00 0.00 177.39 176.67 2ki8 s THR 45 N -1.80 4.61 0.34 -5.08 -1.32 -1.26 -4.93 115.64 106.20 2ki8 s THR 45 Ca 0.00 1.07 0.11 0.00 -1.21 0.00 0.00 61.69 61.65 2ki8 s THR 45 Cb 0.00 -3.77 0.33 0.00 -1.51 0.00 0.00 72.50 67.55 2ki8 s THR 45 CO 0.00 -0.84 1.77 -0.08 -2.21 0.00 0.00 174.62 173.26 2ki8 h GLU 46 N 0.51 0.58 -0.74 7.08 4.81 -2.01 0.24 114.58 125.04 2ki8 h GLU 46 Ca -0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2ki8 h GLU 46 Cb 1.19 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2ki8 h GLU 46 CO 0.62 0.38 0.43 1.49 -0.73 0.00 0.00 179.01 181.20 2ki8 h GLU 47 N 0.60 1.01 -1.01 1.92 4.81 -1.97 -1.43 114.58 118.51 2ki8 h GLU 47 Ca 0.59 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.77 2ki8 h GLU 47 Cb 1.15 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 2ki8 h GLU 47 CO -0.37 0.72 0.66 -0.92 -0.73 0.00 0.00 179.01 178.37 2ki8 h TYR 48 N 1.03 1.23 0.63 0.92 5.03 -0.89 0.15 116.97 125.06 2ki8 h TYR 48 Ca 0.27 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 2ki8 h TYR 48 Cb -0.02 -0.41 0.01 0.00 1.55 0.00 0.00 36.73 37.86 2ki8 h TYR 48 CO 0.00 0.68 -0.30 0.35 -1.32 0.00 0.00 178.16 177.57 2ki8 h PHE 49 N 1.24 -0.78 0.00 -3.82 3.04 -1.17 -3.16 116.94 112.29 2ki8 h PHE 49 Ca 0.41 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2ki8 h PHE 49 Cb 0.06 0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.83 2ki8 h PHE 49 CO -0.00 -0.49 0.00 0.09 -2.02 0.00 0.00 178.31 175.89 2ki8 n ASN 50 N -4.77 0.00 -0.03 0.41 3.02 -0.61 -1.85 115.26 111.43 2ki8 n ASN 50 Ca -0.10 0.08 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2ki8 n ASN 50 Cb 0.33 -0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.22 1.34 -1.52 5.41 0.00 0.02 -4.61 120.51 119.94 2ki8 n ALA 51 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.71 2ki8 n ALA 51 Cb 0.05 -0.67 0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.12 1.00 -0.99 0.00 0.24 -0.87 -4.77 118.33 109.82 2ki8 n VAL 52 Ca -0.25 -1.21 0.03 0.00 -2.04 0.00 0.00 64.34 60.88 2ki8 n VAL 52 Cb 1.06 0.11 0.34 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.75 4.99 -4.04 -1.34 3.02 -0.77 -4.68 115.26 111.69 2ki8 n ASN 53 Ca 0.08 -3.07 -0.08 0.00 -0.03 0.00 0.00 54.58 51.49 2ki8 n ASN 53 Cb 0.67 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2ki8 s TYR 54 N -2.87 0.43 -0.02 3.10 -0.85 -1.26 -0.52 117.35 115.37 2ki8 s TYR 54 Ca 0.52 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2ki8 s TYR 54 Cb 0.41 -0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 2ki8 s TYR 54 CO 0.13 -0.37 -0.13 0.00 -1.52 0.00 0.00 175.55 173.66 2ki8 s ALA 55 N -3.53 1.10 -0.39 9.51 0.00 -0.31 -4.33 121.76 123.82 2ki8 s ALA 55 Ca 0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 2ki8 s ALA 55 Cb 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2ki8 s ALA 55 CO -0.09 0.25 0.53 -1.21 0.00 0.00 0.00 175.76 175.24 2ki8 s GLU 56 N -0.19 3.43 0.03 0.00 2.02 0.44 -0.40 118.70 124.03 2ki8 s GLU 56 Ca 0.03 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.72 2ki8 s GLU 56 Cb -0.06 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2ki8 s GLU 56 CO -0.00 -0.78 -0.04 0.42 0.02 0.00 0.00 175.26 174.88 2ki8 s ILE 57 N 2.46 3.84 0.41 -1.63 1.09 0.40 -1.52 121.20 126.25 2ki8 s ILE 57 Ca 0.18 -0.82 -0.25 0.00 -1.10 0.00 0.00 60.65 58.67 2ki8 s ILE 57 Cb -0.15 -2.73 -0.08 0.00 -1.06 0.00 0.00 42.46 38.44 2ki8 s ILE 57 CO 0.15 0.31 1.22 0.21 -0.10 0.00 0.00 174.94 176.73 2ki8 s ASN 58 N -1.71 6.36 0.32 3.58 3.84 -1.26 -0.58 114.94 125.50 2ki8 s ASN 58 Ca 0.20 2.46 0.11 0.00 0.21 0.00 0.00 52.86 55.84 2ki8 s ASN 58 Cb -0.11 -2.62 0.94 0.00 -0.55 0.00 0.00 41.25 38.90 2ki8 s ASN 58 CO 0.11 -0.80 1.71 -0.08 -2.79 0.00 0.00 177.10 175.26 2ki8 h GLU 59 N 2.54 0.49 0.33 0.43 4.57 -1.89 0.13 114.58 121.18 2ki8 h GLU 59 Ca -0.49 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2ki8 h GLU 59 Cb 1.24 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2ki8 h GLU 59 CO 0.62 0.33 -0.23 0.93 -1.18 0.00 0.00 179.01 179.48 2ki8 h GLU 60 N 0.51 -0.53 -0.22 1.92 4.39 -1.97 -1.83 114.58 116.85 2ki8 h GLU 60 Ca 0.67 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 60.33 2ki8 h GLU 60 Cb 1.35 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2ki8 h GLU 60 CO -0.51 -0.35 -0.21 -0.44 -1.16 0.00 0.00 179.01 176.34 2ki8 h ASP 61 N -0.55 0.39 0.01 1.42 3.32 -1.65 -2.09 116.42 117.28 2ki8 h ASP 61 Ca -0.03 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2ki8 h ASP 61 Cb 0.47 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 2ki8 h ASP 61 CO 0.01 0.61 -0.26 -0.25 -1.72 0.00 0.00 179.24 177.63 2ki8 h TRP 62 N 0.36 -0.70 -0.26 4.55 2.91 -0.45 -0.46 115.95 121.90 2ki8 h TRP 62 Ca 0.06 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.97 2ki8 h TRP 62 Cb 0.57 0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 2ki8 h TRP 62 CO 0.02 -0.35 -0.39 -0.91 -1.03 0.00 0.00 178.44 175.77 2ki8 h ASN 63 N -0.41 0.65 -0.49 2.65 2.35 -1.28 -0.68 115.58 118.37 2ki8 h ASN 63 Ca 0.06 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2ki8 h ASN 63 Cb 0.49 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2ki8 h ASN 63 CO -0.22 0.97 0.32 0.00 -1.65 0.00 0.00 177.43 176.85 2ki8 h ALA 64 N 1.06 1.69 0.00 -0.83 0.00 -0.99 -1.31 119.26 118.89 2ki8 h ALA 64 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ki8 h ALA 64 Cb 0.90 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ki8 h ALA 64 CO 0.08 0.27 -0.66 1.28 0.00 0.00 0.00 179.25 180.22 2ki8 n LEU 65 N -4.47 0.60 -2.14 0.00 4.77 -0.21 -4.99 117.00 110.56 2ki8 n LEU 65 Ca 0.05 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2ki8 n LEU 65 Cb 0.08 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2ki8 n LEU 65 CO 0.35 0.07 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 2ki8 n GLY 66 N 1.43 0.10 3.90 -0.72 0.00 -0.49 -4.84 105.19 104.58 2ki8 n GLY 66 Ca 0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -4.14 3.61 -0.02 0.99 1.43 -0.37 -5.03 118.68 115.16 2ki8 s LEU 67 Ca 0.10 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2ki8 s LEU 67 Cb -0.04 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.25 2ki8 s LEU 67 CO 0.36 -0.59 0.05 -1.58 0.23 0.00 0.00 176.35 174.82 2ki8 s GLN 68 N -4.70 0.01 -0.64 1.70 0.74 -1.26 -4.85 119.66 110.66 2ki8 s GLN 68 Ca 0.48 0.14 -0.26 0.00 0.05 0.00 0.00 55.36 55.78 2ki8 s GLN 68 Cb -0.10 -0.11 -0.12 0.00 1.10 0.00 0.00 33.01 33.78 2ki8 s GLN 68 CO 0.44 -0.09 2.45 0.39 -0.55 0.00 0.00 175.29 177.93 2ki8 n GLU 69 N 3.65 0.75 0.00 1.67 1.02 -1.26 -1.53 120.64 124.94 2ki8 n GLU 69 Ca -0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2ki8 n GLU 69 Cb 0.55 -3.11 0.00 0.00 -0.02 0.00 0.00 31.44 28.86 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 6.21 0.98 3.96 0.62 0.00 -1.26 -5.11 105.19 110.59 2ki8 n GLY 70 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 3.75 -0.07 1.61 1.47 -0.58 -4.83 116.67 118.01 2ki8 s ASP 71 Ca 0.00 -0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.66 2ki8 s ASP 71 Cb 0.00 -0.14 -0.03 0.00 -0.34 0.00 0.00 42.92 42.41 2ki8 s ASP 71 CO 0.00 -2.29 -0.05 -0.13 0.68 0.00 0.00 175.17 173.38 2ki8 s ARG 72 N -5.50 2.81 -0.02 2.11 0.52 -1.26 -1.67 118.95 115.94 2ki8 s ARG 72 Ca 0.70 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.46 2ki8 s ARG 72 Cb -0.04 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 2ki8 s ARG 72 CO 0.48 0.67 -0.21 0.14 0.02 0.00 0.00 175.30 176.41 2ki8 s VAL 73 N -0.82 1.63 -0.15 3.52 -7.23 -0.26 -1.80 120.40 115.28 2ki8 s VAL 73 Ca 0.13 -0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2ki8 s VAL 73 Cb -0.11 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 2ki8 s VAL 73 CO 0.02 0.46 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.50 2ki8 s LYS 74 N -0.49 3.63 -0.16 4.82 2.20 0.46 -1.42 119.74 128.77 2ki8 s LYS 74 Ca 0.08 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2ki8 s LYS 74 Cb -0.08 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2ki8 s LYS 74 CO -0.01 0.31 0.00 0.08 -0.36 0.00 0.00 175.35 175.37 2ki8 s VAL 75 N 0.20 4.27 -0.13 4.02 1.01 -0.40 -1.94 120.40 127.44 2ki8 s VAL 75 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2ki8 s VAL 75 Cb -0.13 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 2ki8 s VAL 75 CO 0.02 0.49 -0.18 -0.54 0.00 0.00 0.00 175.10 174.89 2ki8 s LYS 76 N 0.30 3.19 0.10 2.72 3.01 -0.03 -2.03 119.74 127.00 2ki8 s LYS 76 Ca -0.01 -0.78 0.02 0.00 -1.01 0.00 0.00 55.97 54.19 2ki8 s LYS 76 Cb -0.13 -2.51 -0.01 0.00 -1.01 0.00 0.00 37.83 34.17 2ki8 s LYS 76 CO 0.02 0.11 0.06 0.25 0.51 0.00 0.00 175.35 176.30 2ki8 n THR 77 N 3.77 0.00 0.81 2.17 -2.24 0.11 -0.93 114.28 117.97 2ki8 n THR 77 Ca -0.19 -0.63 0.08 0.00 -2.27 0.00 0.00 64.05 61.05 2ki8 n THR 77 Cb 0.52 0.27 0.43 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 -0.20 0.25 -0.01 -0.78 0.28 -1.26 -2.49 120.64 116.42 2ki8 n GLU 78 Ca 0.00 0.12 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 2ki8 n GLU 78 Cb 0.16 -1.50 -0.17 0.00 1.43 0.00 0.00 31.44 31.36 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 -1.28 0.02 -0.22 -1.84 3.72 -1.26 -5.11 117.46 111.49 2ki8 n PHE 79 Ca 0.08 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2ki8 n PHE 79 Cb 0.14 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 1.29 0.35 2.99 1.37 0.00 -0.91 -4.69 105.19 105.58 2ki8 n GLY 80 Ca -0.06 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 0.32 -0.03 1.61 -1.05 -1.24 -0.71 118.70 115.60 2ki8 s GLU 81 Ca 0.00 -0.59 -0.14 0.00 -0.15 0.00 0.00 54.97 54.09 2ki8 s GLU 81 Cb 0.00 0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 2ki8 s GLU 81 CO 0.00 -0.05 0.30 0.54 0.95 0.00 0.00 175.26 176.99 2ki8 s VAL 82 N -1.45 0.05 -0.24 1.83 0.11 -0.86 -4.88 120.40 114.96 2ki8 s VAL 82 Ca -0.16 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.42 2ki8 s VAL 82 Cb -0.10 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2ki8 s VAL 82 CO -0.01 -0.24 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.81 2ki8 s VAL 83 N -1.14 3.36 0.39 2.04 1.01 -1.26 -1.27 120.40 123.53 2ki8 s VAL 83 Ca -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2ki8 s VAL 83 Cb -0.05 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2ki8 s VAL 83 CO 0.04 0.30 0.12 0.68 0.00 0.00 0.00 175.10 176.23 2ki8 s VAL 84 N 1.44 0.69 0.36 2.92 -7.23 -0.51 -2.45 120.40 115.62 2ki8 s VAL 84 Ca 0.04 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 2ki8 s VAL 84 Cb -0.15 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 2ki8 s VAL 84 CO -0.02 0.00 0.95 -0.36 -0.31 0.00 0.00 175.10 175.36 2ki8 s PHE 85 N -3.24 3.56 -0.33 2.82 0.08 0.32 -1.11 117.98 120.08 2ki8 s PHE 85 Ca 0.26 1.73 -0.22 0.00 0.12 0.00 0.00 56.93 58.82 2ki8 s PHE 85 Cb 0.04 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2ki8 s PHE 85 CO 0.15 0.07 0.71 0.00 -0.10 0.00 0.00 175.22 176.04 2ki8 s ALA 86 N -1.77 3.49 0.22 5.36 0.00 -0.67 -1.16 121.76 127.24 2ki8 s ALA 86 Ca 0.54 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.94 2ki8 s ALA 86 Cb -0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2ki8 s ALA 86 CO 0.21 -1.28 -0.04 0.15 0.00 0.00 0.00 175.76 174.80 2ki8 s LYS 87 N 2.85 2.22 -0.38 0.00 1.02 0.47 -4.15 119.74 121.77 2ki8 s LYS 87 Ca 0.28 -1.33 -0.14 0.00 0.02 0.00 0.00 55.97 54.81 2ki8 s LYS 87 Cb -0.14 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 2ki8 s LYS 87 CO 0.14 0.40 0.27 0.21 -0.92 0.00 0.00 175.35 175.45 2ki8 s LYS 88 N -3.29 3.22 0.44 1.68 2.20 -1.26 -0.45 119.74 122.28 2ki8 s LYS 88 Ca 0.29 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 55.13 2ki8 s LYS 88 Cb -0.08 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2ki8 s LYS 88 CO 0.18 -0.60 0.38 0.20 -0.36 0.00 0.00 175.35 175.14 2ki8 s GLY 89 N 1.70 2.19 -0.16 5.54 0.00 0.26 -4.80 107.32 112.05 2ki8 s GLY 89 Ca 0.05 -1.82 0.12 0.00 0.00 0.00 0.00 44.72 43.07 2ki8 s GLY 89 CO 0.10 -1.76 1.47 1.22 0.00 0.00 0.00 173.10 174.13 2ki8 n ASP 90 N -1.58 4.47 -4.84 1.64 8.00 -1.26 -4.32 116.55 118.66 2ki8 n ASP 90 Ca 0.03 -2.61 -0.32 0.00 0.71 0.00 0.00 54.79 52.60 2ki8 n ASP 90 Cb 0.62 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.20 4.46 0.73 2.53 -7.23 -1.26 -5.04 120.40 112.40 2ki8 s VAL 91 Ca 0.42 1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 61.52 2ki8 s VAL 91 Cb 0.31 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.58 2ki8 s VAL 91 CO 0.15 -0.77 1.18 -2.65 -0.31 0.00 0.00 175.10 172.69 2ki8 n PRO 92 N -1.94 0.59 -1.88 4.82 -0.02 -1.26 -4.47 135.00 130.84 2ki8 n PRO 92 Ca 0.07 0.26 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 2ki8 n PRO 92 Cb 0.54 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2ki8 n PRO 92 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ki8 s LYS 93 N -3.66 2.94 -1.33 -0.52 2.20 -1.26 -2.40 119.74 115.71 2ki8 s LYS 93 Ca 0.77 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2ki8 s LYS 93 Cb -0.34 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2ki8 s LYS 93 CO 0.47 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2ki8 n GLY 94 N 0.70 0.24 3.21 5.54 0.00 -1.26 -4.98 105.19 108.63 2ki8 n GLY 94 Ca 0.13 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.32 0.36 0.00 1.61 0.00 -1.01 -1.09 119.30 114.86 2ki8 s MET 95 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 55.69 56.25 2ki8 s MET 95 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 34.83 34.93 2ki8 s MET 95 CO 0.00 -0.08 -0.09 0.96 0.00 0.00 0.00 175.02 175.80 2ki8 s ILE 96 N 0.52 0.74 -0.29 10.11 -4.36 0.07 -4.29 121.20 123.71 2ki8 s ILE 96 Ca -0.03 -0.52 -0.10 0.00 -0.26 0.00 0.00 60.65 59.74 2ki8 s ILE 96 Cb -0.04 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.99 2ki8 s ILE 96 CO -0.03 0.13 0.17 0.12 0.24 0.00 0.00 174.94 175.57 2ki8 s PHE 97 N -0.38 3.19 -0.15 1.37 2.19 -0.58 -2.18 117.98 121.44 2ki8 s PHE 97 Ca 0.02 -0.16 0.02 0.00 0.33 0.00 0.00 56.93 57.14 2ki8 s PHE 97 Cb -0.05 -2.37 0.01 0.00 -1.31 0.00 0.00 43.02 39.31 2ki8 s PHE 97 CO -0.00 -0.29 -0.22 0.42 1.83 0.00 0.00 175.22 176.97 2ki8 s ILE 98 N 1.70 2.06 0.29 3.12 1.01 -0.04 -0.42 121.20 128.93 2ki8 s ILE 98 Ca 0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2ki8 s ILE 98 Cb -0.16 -1.83 -0.13 0.00 0.01 0.00 0.00 42.46 40.35 2ki8 s ILE 98 CO 0.09 0.55 1.38 -0.81 0.00 0.00 0.00 174.94 176.14 2ki8 n PRO 99 N 4.14 2.16 -1.56 2.79 -0.04 -1.26 -0.93 135.00 140.30 2ki8 n PRO 99 Ca -0.20 0.76 -0.39 0.00 -0.04 0.00 0.00 63.50 63.64 2ki8 n PRO 99 Cb 0.51 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 2ki8 n PRO 99 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ki8 n MET 100 N 1.36 1.28 -2.97 0.54 1.56 -0.27 -4.57 117.12 114.05 2ki8 n MET 100 Ca 0.08 0.16 -0.08 0.00 -0.27 0.00 0.00 57.70 57.59 2ki8 n MET 100 Cb 0.34 -3.30 -0.01 0.00 2.15 0.00 0.00 33.22 32.40 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 5.98 2.09 0.26 -5.12 0.00 -1.26 -4.84 105.19 102.29 2ki8 n GLY 101 Ca 0.36 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 -0.01 1.61 0.13 -1.90 0.02 132.00 131.85 2ki8 h PRO 102 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2ki8 h PRO 102 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2ki8 h PRO 102 CO 0.24 0.09 -0.00 1.88 -0.23 0.00 0.00 178.00 179.98 2ki8 h TYR 103 N 0.00 0.01 -1.00 1.56 -1.99 -1.92 -2.99 116.97 110.64 2ki8 h TYR 103 Ca -0.00 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.77 2ki8 h TYR 103 Cb 0.17 -0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.84 2ki8 h TYR 103 CO 0.00 0.35 0.65 0.00 -0.00 0.00 0.00 178.16 179.17 2ki8 h ALA 104 N 0.66 1.34 -0.17 3.88 0.00 -1.59 -2.37 119.26 121.02 2ki8 h ALA 104 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2ki8 h ALA 104 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ki8 h ALA 104 CO 0.00 0.53 0.20 -0.91 0.00 0.00 0.00 179.25 179.07 2ki8 h ASN 105 N 1.25 0.00 1.25 0.00 2.35 -0.88 0.55 115.58 120.10 2ki8 h ASN 105 Ca 0.41 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.13 2ki8 h ASN 105 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2ki8 h ASN 105 CO -0.14 0.00 -0.10 0.24 -1.65 0.00 0.00 177.43 175.78 2ki8 h MET 106 N 0.00 0.00 0.00 0.81 2.86 -1.34 -3.36 114.93 113.90 2ki8 h MET 106 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2ki8 h MET 106 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2ki8 h MET 106 CO -0.00 0.10 0.00 1.33 1.06 0.00 0.00 176.91 179.40 2ki8 n VAL 107 N -3.19 0.00 -3.93 -2.22 0.24 0.32 -2.14 118.33 107.41 2ki8 n VAL 107 Ca 0.01 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.34 61.91 2ki8 n VAL 107 Cb 0.43 1.28 -0.04 0.00 -1.47 0.00 0.00 33.84 34.03 2ki8 n VAL 107 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ki8 s ILE 108 N -0.19 2.18 -0.27 1.34 -5.25 0.17 -4.64 121.20 114.54 2ki8 s ILE 108 Ca 0.00 -1.56 -0.14 0.00 -0.99 0.00 0.00 60.65 57.97 2ki8 s ILE 108 Cb 0.00 -2.74 -0.04 0.00 2.95 0.00 0.00 42.46 42.63 2ki8 s ILE 108 CO 0.00 0.00 0.32 -0.62 -1.79 0.00 0.00 174.94 172.85 2ki8 s ASP 109 N -4.07 6.19 0.00 4.36 -1.08 -1.26 -4.81 116.67 116.00 2ki8 s ASP 109 Ca 0.40 0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.89 2ki8 s ASP 109 Cb 0.00 -2.19 1.09 0.00 -1.46 0.00 0.00 42.92 40.37 2ki8 s ASP 109 CO 0.23 -0.15 1.75 -0.81 0.52 0.00 0.00 175.17 176.71 2ki8 n PRO 110 N 5.24 1.49 -0.00 4.34 -0.04 -1.26 -3.87 135.00 140.90 2ki8 n PRO 110 Ca -0.10 -0.72 0.15 0.00 -0.04 0.00 0.00 63.50 62.79 2ki8 n PRO 110 Cb 0.51 -1.43 0.66 0.00 -0.04 0.00 0.00 33.50 33.20 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ki8 n SER 111 N -0.10 1.01 -4.57 3.54 7.64 -1.26 -4.69 113.62 115.19 2ki8 n SER 111 Ca 0.18 -1.34 -0.26 0.00 1.01 0.00 0.00 58.87 58.47 2ki8 n SER 111 Cb 0.27 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.40 2ki8 n SER 111 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ki8 s THR 112 N -2.00 3.44 -0.20 0.44 -4.23 -1.25 -4.92 115.64 106.92 2ki8 s THR 112 Ca 0.41 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 2ki8 s THR 112 Cb 0.21 -4.33 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2ki8 s THR 112 CO 0.35 -0.83 1.82 -0.62 -0.54 0.00 0.00 174.62 174.79 2ki8 s ASP 113 N 7.22 6.13 -1.11 3.99 -1.08 -1.26 -4.88 116.67 125.68 2ki8 s ASP 113 Ca 0.71 1.78 -0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2ki8 s ASP 113 Cb -0.03 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.84 2ki8 s ASP 113 CO 0.11 -1.44 1.93 0.61 0.52 0.00 0.00 175.17 176.90 2ki8 n GLY 114 N 4.98 2.13 1.78 2.66 0.00 -1.26 -4.49 105.19 110.98 2ki8 n GLY 114 Ca 0.22 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 6.72 2.09 0.00 2.61 -2.24 -1.26 -4.86 114.28 117.33 2ki8 n THR 115 Ca 0.48 -3.57 0.00 0.00 -2.27 0.00 0.00 64.05 58.69 2ki8 n THR 115 Cb 0.44 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.71 1.32 3.77 3.38 0.00 -1.26 -5.12 105.19 106.57 2ki8 n GLY 116 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N -0.37 3.61 -0.08 1.61 -1.94 -1.26 -4.96 119.30 115.90 2ki8 s MET 117 Ca 0.00 1.80 -0.30 0.00 -1.71 0.00 0.00 55.69 55.48 2ki8 s MET 117 Cb 0.00 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 2ki8 s MET 117 CO 0.00 -0.68 1.43 -1.25 -0.01 0.00 0.00 175.02 174.51 2ki8 s PRO 118 N -2.83 4.23 -0.02 2.03 0.04 -1.26 -4.90 135.00 132.29 2ki8 s PRO 118 Ca 0.66 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 2ki8 s PRO 118 Cb -0.29 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2ki8 s PRO 118 CO 0.35 -0.72 2.26 0.94 0.04 0.00 0.00 177.00 179.87 2ki8 n GLN 119 N 6.47 1.21 0.00 4.56 7.27 -1.26 -2.85 117.38 132.78 2ki8 n GLN 119 Ca 0.15 -0.26 0.00 0.00 0.07 0.00 0.00 57.00 56.96 2ki8 n GLN 119 Cb 0.44 -1.20 0.00 0.00 2.41 0.00 0.00 30.24 31.89 2ki8 n GLN 119 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2ki8 n PHE 120 N 1.59 0.00 -3.08 3.69 3.72 -1.26 -5.01 117.46 117.11 2ki8 n PHE 120 Ca 0.09 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.09 2ki8 n PHE 120 Cb 0.57 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 2ki8 n PHE 120 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ki8 s LYS 121 N -0.22 4.36 0.46 -1.08 2.47 -1.13 -4.99 119.74 119.62 2ki8 s LYS 121 Ca 0.00 0.79 0.03 0.00 -1.56 0.00 0.00 55.97 55.22 2ki8 s LYS 121 Cb 0.00 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.86 2ki8 s LYS 121 CO 0.00 -0.03 0.05 0.20 0.16 0.00 0.00 175.35 175.73 2ki8 s GLY 122 N 0.90 2.82 -0.26 5.54 0.00 -1.26 -4.78 107.32 110.28 2ki8 s GLY 122 Ca 0.34 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 2ki8 s GLY 122 CO 0.15 -2.04 0.43 0.14 0.00 0.00 0.00 173.10 171.78 2ki8 s VAL 123 N -3.01 5.13 0.57 1.40 1.01 0.97 -4.73 120.40 121.75 2ki8 s VAL 123 Ca 0.15 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2ki8 s VAL 123 Cb 0.03 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ki8 s VAL 123 CO 0.08 0.13 1.06 -0.54 0.00 0.00 0.00 175.10 175.84 2ki8 s LYS 124 N 2.13 3.38 0.00 2.72 1.02 -1.26 -0.17 119.74 127.56 2ki8 s LYS 124 Ca 0.18 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.44 2ki8 s LYS 124 Cb -0.16 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2ki8 s LYS 124 CO 0.09 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 2ki8 n GLY 125 N -0.74 1.58 3.10 -3.33 0.00 0.97 -4.59 105.19 102.18 2ki8 n GLY 125 Ca 0.09 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N -1.01 0.83 0.04 2.61 -4.23 -0.11 -0.32 115.64 113.45 2ki8 s THR 126 Ca 0.00 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 2ki8 s THR 126 Cb 0.00 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 2ki8 s THR 126 CO 0.00 -0.14 -0.24 0.54 -0.54 0.00 0.00 174.62 174.24 2ki8 s VAL 127 N -0.98 1.96 0.01 2.29 0.11 -0.23 -0.85 120.40 122.71 2ki8 s VAL 127 Ca -0.03 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 57.59 2ki8 s VAL 127 Cb -0.08 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.11 2ki8 s VAL 127 CO 0.01 0.34 0.31 -1.83 -3.33 0.00 0.00 175.10 170.59 2ki8 s GLU 128 N -1.14 0.74 0.18 1.54 -1.05 -0.82 -2.00 118.70 116.15 2ki8 s GLU 128 Ca 0.10 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 2ki8 s GLU 128 Cb -0.10 0.32 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 2ki8 s GLU 128 CO 0.02 -0.22 1.19 0.21 0.95 0.00 0.00 175.26 177.40 2ki8 s LYS 129 N -1.93 4.50 0.19 -4.83 2.20 -1.26 -0.41 119.74 118.20 2ki8 s LYS 129 Ca -0.09 1.86 0.08 0.00 -0.36 0.00 0.00 55.97 57.45 2ki8 s LYS 129 Cb -0.03 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 2ki8 s LYS 129 CO 0.01 -0.08 -0.15 -0.08 -0.36 0.00 0.00 175.35 174.69 2ki8 s THR 130 N -0.03 1.72 -0.61 3.43 -1.32 -0.75 -4.83 115.64 113.25 2ki8 s THR 130 Ca 0.53 -2.13 0.24 0.00 -1.21 0.00 0.00 61.69 59.12 2ki8 s THR 130 Cb -0.32 -1.97 0.14 0.00 -1.51 0.00 0.00 72.50 68.83 2ki8 s THR 130 CO 0.36 -0.54 1.45 -0.78 -2.21 0.00 0.00 174.62 172.90 2ki8 h ASP 131 N 2.74 0.00 -4.23 8.08 3.58 -1.96 -3.43 116.42 121.20 2ki8 h ASP 131 Ca -0.39 -0.12 -0.50 0.00 0.42 0.00 0.00 57.03 56.45 2ki8 h ASP 131 Cb 1.22 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.34 2ki8 h ASP 131 CO 0.59 0.06 0.37 -1.61 -2.88 0.00 0.00 179.24 175.77 2ki8 s GLU 132 N -3.17 3.14 0.59 0.28 0.41 -1.26 -5.04 118.70 113.65 2ki8 s GLU 132 Ca 0.07 1.17 -0.14 0.00 -0.41 0.00 0.00 54.97 55.66 2ki8 s GLU 132 Cb 0.12 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 2ki8 s GLU 132 CO 0.69 -0.95 1.02 -1.59 -0.49 0.00 0.00 175.26 173.94 2ki8 s LYS 133 N -4.32 3.56 0.13 1.61 0.00 -1.26 -4.89 119.74 114.56 2ki8 s LYS 133 Ca 0.63 0.95 -0.31 0.00 0.00 0.00 0.00 55.97 57.23 2ki8 s LYS 133 Cb -0.16 -2.08 -0.08 0.00 0.00 0.00 0.00 37.83 35.52 2ki8 s LYS 133 CO 0.42 -0.60 1.35 0.08 0.00 0.00 0.00 175.35 176.60 2ki8 s VAL 134 N -2.82 3.35 0.22 1.79 1.01 -1.26 -4.75 120.40 117.94 2ki8 s VAL 134 Ca 0.59 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 2ki8 s VAL 134 Cb -0.12 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 2ki8 s VAL 134 CO 0.43 0.09 1.56 -0.76 0.00 0.00 0.00 175.10 176.43 2ki8 s LEU 135 N 0.81 4.37 0.39 3.92 1.43 -1.03 -5.00 118.68 123.58 2ki8 s LEU 135 Ca 0.62 2.73 -0.24 0.00 -1.03 0.00 0.00 54.13 56.22 2ki8 s LEU 135 Cb -0.36 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 2ki8 s LEU 135 CO 0.32 -0.83 1.03 -0.44 0.23 0.00 0.00 176.35 176.66 2ki8 s SER 136 N 0.82 6.82 0.21 2.29 0.01 -1.26 -4.84 113.70 117.75 2ki8 s SER 136 Ca 0.67 2.00 -0.15 0.00 1.31 0.00 0.00 55.95 59.77 2ki8 s SER 136 Cb -0.45 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.42 2ki8 s SER 136 CO 0.38 -0.44 1.61 0.58 0.41 0.00 0.00 173.24 175.78 2ki8 h VAL 137 N 2.22 0.30 -0.17 3.43 2.07 -1.99 0.28 116.25 122.39 2ki8 h VAL 137 Ca -0.48 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.83 2ki8 h VAL 137 Cb 1.21 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2ki8 h VAL 137 CO 0.62 0.00 -0.72 0.50 0.02 0.00 0.00 177.57 178.00 2ki8 h LYS 138 N -0.05 0.72 -0.81 1.57 3.64 -2.00 -2.97 116.57 116.67 2ki8 h LYS 138 Ca 0.29 -0.56 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2ki8 h LYS 138 Cb 0.50 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2ki8 h LYS 138 CO -0.67 1.17 0.53 1.49 -2.27 0.00 0.00 179.45 179.71 2ki8 h GLU 139 N 0.51 0.94 -0.75 1.90 4.81 -1.49 0.49 114.58 121.00 2ki8 h GLU 139 Ca -0.03 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2ki8 h GLU 139 Cb 1.33 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2ki8 h GLU 139 CO 0.14 0.62 0.49 1.25 -0.73 0.00 0.00 179.01 180.79 2ki8 h LEU 140 N 0.97 0.83 -0.37 1.64 6.46 -0.49 -1.18 115.31 123.17 2ki8 h LEU 140 Ca 0.33 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.10 2ki8 h LEU 140 Cb 0.09 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2ki8 h LEU 140 CO -0.10 0.60 0.18 -0.07 -0.62 0.00 0.00 178.44 178.42 2ki8 h LEU 141 N 0.99 0.26 -1.49 2.25 3.38 -0.77 0.68 115.31 120.60 2ki8 h LEU 141 Ca 0.28 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2ki8 h LEU 141 Cb -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2ki8 h LEU 141 CO -0.07 0.19 0.10 -0.33 0.09 0.00 0.00 178.44 178.42 2ki8 h GLU 142 N 0.37 0.44 -0.12 1.13 5.08 -1.00 0.28 114.58 120.76 2ki8 h GLU 142 Ca 0.16 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2ki8 h GLU 142 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2ki8 h GLU 142 CO -0.12 0.39 -0.32 0.00 -1.00 0.00 0.00 179.01 177.96 2ki8 h ALA 143 N 1.68 0.20 0.00 3.43 0.00 -0.24 -3.26 119.26 121.07 2ki8 h ALA 143 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ki8 h ALA 143 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ki8 h ALA 143 CO -0.01 0.24 0.00 0.44 0.00 0.00 0.00 179.25 179.93 2ki8 n ILE 144 N -4.39 0.44 0.00 0.00 -6.64 0.14 -4.85 119.36 104.06 2ki8 n ILE 144 Ca -0.07 0.11 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 2ki8 n ILE 144 Cb 0.49 -0.73 0.00 0.00 -1.44 0.00 0.00 39.64 37.96 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 0.73 3.51 0.00 3.28 0.00 -0.98 -5.09 105.19 106.64 2ki8 n GLY 145 Ca 0.07 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76