#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 2.62 3.93 3.03 0.00 -1.26 -4.98 105.19 108.53 2ki8 n GLY 2 Ca 0.00 -1.47 -0.25 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 4.21 5.48 0.02 1.61 1.04 -1.26 -5.03 113.70 119.77 2ki8 s SER 3 Ca 0.54 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 57.20 2ki8 s SER 3 Cb 0.04 -1.51 -0.06 0.00 0.10 0.00 0.00 66.02 64.59 2ki8 s SER 3 CO 0.08 -1.09 1.43 -0.44 0.98 0.00 0.00 173.24 174.20 2ki8 s SER 4 N -4.33 6.82 -0.19 7.02 0.01 -1.26 -5.01 113.70 116.76 2ki8 s SER 4 Ca 0.54 2.17 -0.03 0.00 1.31 0.00 0.00 55.95 59.95 2ki8 s SER 4 Cb -0.10 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.62 2ki8 s SER 4 CO 0.43 -0.73 0.03 -2.28 0.41 0.00 0.00 173.24 171.10 2ki8 s HIS 5 N 2.32 1.07 0.44 2.43 5.65 -1.26 -5.14 115.29 120.80 2ki8 s HIS 5 Ca 0.65 -0.86 -0.23 0.00 0.25 0.00 0.00 55.06 54.87 2ki8 s HIS 5 Cb -0.33 -1.04 -0.08 0.00 -1.18 0.00 0.00 32.58 29.95 2ki8 s HIS 5 CO 0.27 -0.60 1.13 -3.38 -0.65 0.00 0.00 174.74 171.51 2ki8 s HIS 6 N 1.84 3.01 -0.34 3.88 0.00 -1.26 -5.04 115.29 117.38 2ki8 s HIS 6 Ca -0.01 1.57 -0.01 0.00 -3.00 0.00 0.00 55.06 53.61 2ki8 s HIS 6 Cb -0.17 -3.31 0.13 0.00 -4.00 0.00 0.00 32.58 25.23 2ki8 s HIS 6 CO -0.08 -1.23 0.19 -1.58 -1.00 0.00 0.00 174.74 171.04 2ki8 s HIS 7 N -1.57 0.77 -0.27 0.38 2.46 -1.26 -5.12 115.29 110.68 2ki8 s HIS 7 Ca 0.61 -1.50 -0.15 0.00 0.47 0.00 0.00 55.06 54.50 2ki8 s HIS 7 Cb -0.27 -1.03 -0.04 0.00 -0.13 0.00 0.00 32.58 31.11 2ki8 s HIS 7 CO 0.33 -0.83 0.36 -1.58 -2.47 0.00 0.00 174.74 170.55 2ki8 s HIS 8 N 1.31 3.24 0.00 3.88 5.65 -1.26 -5.01 115.29 123.10 2ki8 s HIS 8 Ca 0.15 0.37 -0.25 0.00 0.25 0.00 0.00 55.06 55.59 2ki8 s HIS 8 Cb -0.21 -2.57 -0.18 0.00 -1.18 0.00 0.00 32.58 28.44 2ki8 s HIS 8 CO -0.10 -0.24 1.29 1.12 -0.65 0.00 0.00 174.74 176.16 2ki8 h HIS 9 N 8.20 -0.19 -3.19 3.88 -0.00 -2.07 -3.50 115.15 118.29 2ki8 h HIS 9 Ca -0.32 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2ki8 h HIS 9 Cb 1.16 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2ki8 h HIS 9 CO 0.75 0.16 -0.68 1.58 -0.00 0.00 0.00 177.93 179.75 2ki8 n HIS 10 N -5.02 -3.51 -4.47 6.12 -0.00 -1.26 -5.05 115.22 102.03 2ki8 n HIS 10 Ca -0.09 2.00 -0.22 0.00 -0.00 0.00 0.00 57.72 59.41 2ki8 n HIS 10 Cb 0.23 -3.15 -0.16 0.00 -0.00 0.00 0.00 29.99 26.91 2ki8 n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2ki8 s SER 11 N -0.95 1.44 0.00 0.26 0.01 -1.26 -5.01 113.70 108.20 2ki8 s SER 11 Ca 0.00 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.08 2ki8 s SER 11 Cb 0.00 -0.51 0.09 0.00 0.21 0.00 0.00 66.02 65.81 2ki8 s SER 11 CO 0.00 0.05 0.89 -1.54 0.41 0.00 0.00 173.24 173.05 2ki8 n SER 12 N 3.52 -0.14 -4.75 2.44 3.41 -1.26 -5.13 113.62 111.71 2ki8 n SER 12 Ca -0.21 -1.72 -0.41 0.00 -0.26 0.00 0.00 58.87 56.28 2ki8 n SER 12 Cb 0.53 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2ki8 n SER 12 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ki8 s GLY 13 N -0.92 2.46 -0.30 5.00 0.00 -1.26 -5.01 107.32 107.29 2ki8 s GLY 13 Ca 0.07 1.38 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 2ki8 s GLY 13 CO -0.03 2.26 0.68 1.09 0.00 0.00 0.00 173.10 177.10 2ki8 s ARG 14 N -0.79 0.51 0.00 2.90 1.70 -1.26 -5.16 118.95 116.85 2ki8 s ARG 14 Ca 0.58 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 2ki8 s ARG 14 Cb -0.43 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 2ki8 s ARG 14 CO 0.48 -0.47 0.00 -0.85 -1.08 0.00 0.00 175.30 173.37 2ki8 n GLU 15 N 5.42 1.66 -1.56 3.89 0.00 -1.26 -5.11 120.64 123.69 2ki8 n GLU 15 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.12 2ki8 n GLU 15 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 2ki8 n GLU 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2ki8 n ASN 16 N 0.00 -2.29 -2.13 -1.84 3.02 -1.26 -5.11 115.26 105.64 2ki8 n ASN 16 Ca 0.00 0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 2ki8 n ASN 16 Cb 0.00 -1.21 0.01 0.00 -0.61 0.00 0.00 39.78 37.96 2ki8 n ASN 16 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ki8 n LEU 17 N -0.08 0.00 0.18 3.41 7.99 -1.26 -5.02 117.00 122.22 2ki8 n LEU 17 Ca 0.00 -0.11 0.07 0.00 -0.01 0.00 0.00 56.01 55.96 2ki8 n LEU 17 Cb 0.00 -0.03 0.10 0.00 -0.11 0.00 0.00 43.42 43.39 2ki8 n LEU 17 CO 0.02 -0.52 0.63 1.88 -1.51 0.00 0.00 177.39 177.90 2ki8 h TYR 18 N -0.26 0.00 0.00 -1.77 -1.99 -2.08 -3.47 116.97 107.41 2ki8 h TYR 18 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2ki8 h TYR 18 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2ki8 h TYR 18 CO 0.00 0.27 0.00 1.19 -0.00 0.00 0.00 178.16 179.62 2ki8 n PHE 19 N -3.17 0.00 -2.32 4.88 3.72 -1.26 -4.90 117.46 114.41 2ki8 n PHE 19 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 2ki8 n PHE 19 Cb 0.64 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 2ki8 n PHE 19 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2ki8 s GLN 20 N 0.00 3.12 -0.15 -1.08 0.74 -1.26 -4.85 119.66 116.18 2ki8 s GLN 20 Ca 0.00 0.40 -0.11 0.00 0.05 0.00 0.00 55.36 55.70 2ki8 s GLN 20 Cb 0.00 -4.20 -0.05 0.00 1.10 0.00 0.00 33.01 29.86 2ki8 s GLN 20 CO 0.00 -2.17 -0.14 0.41 -0.55 0.00 0.00 175.29 172.84 2ki8 n GLY 21 N 5.40 -0.93 2.14 2.59 0.00 -1.26 -5.10 105.19 108.02 2ki8 n GLY 21 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2ki8 n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ki8 n HIS 22 N -4.59 -3.07 -2.08 1.61 -0.00 -1.26 -4.83 115.22 100.99 2ki8 n HIS 22 Ca -0.11 1.80 -0.29 0.00 -0.00 0.00 0.00 57.72 59.13 2ki8 n HIS 22 Cb 0.32 -3.15 0.04 0.00 -0.00 0.00 0.00 29.99 27.19 2ki8 n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ki8 s MET 23 N -0.86 2.97 -0.06 1.57 0.23 -1.26 -4.81 119.30 117.08 2ki8 s MET 23 Ca -0.15 0.32 0.03 0.00 -1.03 0.00 0.00 55.69 54.86 2ki8 s MET 23 Cb 0.01 -2.12 0.01 0.00 -1.53 0.00 0.00 34.83 31.19 2ki8 s MET 23 CO 0.39 -0.85 -0.14 -0.51 -2.03 0.00 0.00 175.02 171.88 2ki8 s LEU 24 N -5.20 1.77 -0.36 0.18 1.43 0.01 -4.94 118.68 111.57 2ki8 s LEU 24 Ca 0.56 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2ki8 s LEU 24 Cb -0.11 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.21 2ki8 s LEU 24 CO 0.49 0.08 1.50 -0.70 0.23 0.00 0.00 176.35 177.95 2ki8 s GLU 25 N 0.45 3.59 0.19 1.70 2.12 -1.26 -0.91 118.70 124.57 2ki8 s GLU 25 Ca -0.12 1.15 0.07 0.00 0.36 0.00 0.00 54.97 56.43 2ki8 s GLU 25 Cb -0.15 -4.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.16 2ki8 s GLU 25 CO 0.04 -1.54 -0.13 0.14 -0.54 0.00 0.00 175.26 173.22 2ki8 s VAL 26 N 5.58 1.59 -0.30 3.70 -7.23 0.25 -4.65 120.40 119.33 2ki8 s VAL 26 Ca 0.65 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 2ki8 s VAL 26 Cb -0.17 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2ki8 s VAL 26 CO 0.31 -0.62 0.26 -0.70 -0.31 0.00 0.00 175.10 174.04 2ki8 s GLU 27 N -3.60 3.83 -0.47 4.82 2.12 -0.83 -0.06 118.70 124.51 2ki8 s GLU 27 Ca 0.20 -0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.01 2ki8 s GLU 27 Cb -0.00 -3.71 0.04 0.00 0.26 0.00 0.00 34.13 30.72 2ki8 s GLU 27 CO 0.05 -0.29 0.62 0.08 -0.54 0.00 0.00 175.26 175.18 2ki8 s VAL 28 N 1.85 4.87 0.29 3.70 1.01 0.87 -0.78 120.40 132.20 2ki8 s VAL 28 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2ki8 s VAL 28 Cb -0.16 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2ki8 s VAL 28 CO 0.11 -0.67 0.45 -0.63 0.00 0.00 0.00 175.10 174.35 2ki8 s ILE 29 N 2.69 5.07 -0.29 2.22 1.01 -0.52 0.18 121.20 131.55 2ki8 s ILE 29 Ca 0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2ki8 s ILE 29 Cb -0.16 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.59 2ki8 s ILE 29 CO 0.16 -0.40 0.11 -0.44 0.00 0.00 0.00 174.94 174.37 2ki8 s SER 30 N -4.02 3.71 -0.31 3.58 0.01 -1.24 -0.86 113.70 114.56 2ki8 s SER 30 Ca 0.37 -1.41 -0.29 0.00 1.31 0.00 0.00 55.95 55.94 2ki8 s SER 30 Cb -0.09 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.58 2ki8 s SER 30 CO 0.32 -0.42 1.16 -0.83 0.41 0.00 0.00 173.24 173.88 2ki8 s GLY 31 N 1.89 1.49 -0.42 3.44 0.00 -0.88 -4.56 107.32 108.29 2ki8 s GLY 31 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 2ki8 s GLY 31 CO -0.31 2.39 2.35 0.50 0.00 0.00 0.00 173.10 178.03 2ki8 s ARG 32 N 3.84 2.39 0.35 2.90 0.52 -1.26 -0.93 118.95 126.76 2ki8 s ARG 32 Ca 0.49 1.56 0.04 0.00 -0.52 0.00 0.00 55.73 57.31 2ki8 s ARG 32 Cb -0.14 -4.52 -0.02 0.00 0.52 0.00 0.00 34.95 30.79 2ki8 s ARG 32 CO 0.18 -2.95 0.15 0.25 0.02 0.00 0.00 175.30 172.95 2ki8 n THR 33 N 7.92 0.00 -1.10 0.02 -2.24 -1.26 -4.84 114.28 112.77 2ki8 n THR 33 Ca 0.35 -2.10 -0.04 0.00 -2.27 0.00 0.00 64.05 59.99 2ki8 n THR 33 Cb 0.52 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2ki8 n THR 33 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ki8 n LEU 34 N 0.00 0.24 -2.71 3.22 7.94 -1.26 -4.10 117.00 120.33 2ki8 n LEU 34 Ca -0.03 0.09 -0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2ki8 n LEU 34 Cb 0.54 -1.92 -0.03 0.00 0.53 0.00 0.00 43.42 42.54 2ki8 n LEU 34 CO 0.28 -0.69 -0.55 0.59 -1.11 0.00 0.00 177.39 175.90 2ki8 n ASN 35 N -0.58 -3.46 -2.80 1.96 3.02 -1.26 -5.03 115.26 107.11 2ki8 n ASN 35 Ca -0.04 1.29 -0.10 0.00 -0.03 0.00 0.00 54.58 55.71 2ki8 n ASN 35 Cb 0.37 -4.74 0.08 0.00 -0.61 0.00 0.00 39.78 34.88 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 1.52 -1.44 -0.27 3.52 6.02 -1.26 -4.49 117.38 120.97 2ki8 n GLN 36 Ca -0.25 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2ki8 n GLN 36 Cb 0.41 -0.52 0.00 0.00 1.02 0.00 0.00 30.24 31.15 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ki8 n GLY 37 N 0.52 0.70 2.99 1.08 0.00 -1.26 -5.06 105.19 104.17 2ki8 n GLY 37 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 s ALA 38 N -2.59 0.81 1.17 4.61 0.00 -1.26 -5.15 121.76 119.35 2ki8 s ALA 38 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 2ki8 s ALA 38 Cb 0.00 -0.31 0.27 0.00 0.00 0.00 0.00 23.12 23.08 2ki8 s ALA 38 CO 0.00 0.13 1.07 0.95 0.00 0.00 0.00 175.76 177.91 2ki8 s THR 39 N 0.21 1.73 0.48 0.00 -4.23 -1.26 -4.89 115.64 107.68 2ki8 s THR 39 Ca -0.03 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 2ki8 s THR 39 Cb -0.08 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.62 2ki8 s THR 39 CO 0.00 0.00 2.08 -0.37 -0.54 0.00 0.00 174.62 175.80 2ki8 h VAL 40 N -2.51 1.06 0.00 2.29 -1.51 -2.00 -2.52 116.25 111.07 2ki8 h VAL 40 Ca -0.50 -0.23 -0.09 0.00 -1.23 0.00 0.00 66.70 64.65 2ki8 h VAL 40 Cb 1.32 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2ki8 h VAL 40 CO 0.43 0.07 -0.44 -0.08 -1.23 0.00 0.00 177.57 176.32 2ki8 h GLU 41 N 0.09 0.00 0.00 5.19 4.81 -1.99 0.27 114.58 122.95 2ki8 h GLU 41 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2ki8 h GLU 41 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2ki8 h GLU 41 CO 0.00 0.44 0.00 0.39 -0.73 0.00 0.00 179.01 179.12 2ki8 n GLU 42 N -3.53 0.12 0.01 1.92 -0.58 -0.95 -4.40 120.64 113.23 2ki8 n GLU 42 Ca -0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2ki8 n GLU 42 Cb 0.56 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2ki8 n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ki8 n LYS 43 N -1.93 0.00 0.00 3.49 5.02 -0.99 -5.00 118.16 118.75 2ki8 n LYS 43 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2ki8 n LYS 43 Cb 0.26 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 -2.65 0.00 -4.56 -0.35 4.77 0.93 -4.92 117.00 110.22 2ki8 n LEU 44 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2ki8 n LEU 44 Cb 0.00 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 40.92 2ki8 n LEU 44 CO 0.00 0.00 0.35 1.07 -1.33 0.00 0.00 177.39 177.48 2ki8 n THR 45 N -1.60 1.72 -0.33 -5.08 5.66 -1.26 -4.80 114.28 108.59 2ki8 n THR 45 Ca 0.00 -0.29 0.19 0.00 -3.05 0.00 0.00 64.05 60.90 2ki8 n THR 45 Cb 0.00 -0.93 0.45 0.00 -1.55 0.00 0.00 70.33 68.30 2ki8 n THR 45 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2ki8 h GLU 46 N -0.74 0.49 -0.95 1.09 4.57 -2.00 0.17 114.58 117.22 2ki8 h GLU 46 Ca -0.46 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 57.81 2ki8 h GLU 46 Cb 1.32 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 2ki8 h GLU 46 CO 0.43 0.33 0.58 1.49 -1.18 0.00 0.00 179.01 180.65 2ki8 h GLU 47 N 0.51 0.89 -0.68 1.92 4.81 -1.97 -0.47 114.58 119.58 2ki8 h GLU 47 Ca 0.59 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.77 2ki8 h GLU 47 Cb 1.30 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2ki8 h GLU 47 CO -0.34 0.59 0.45 -0.92 -0.73 0.00 0.00 179.01 178.06 2ki8 h TYR 48 N 0.91 0.86 -0.00 0.92 5.03 -0.97 -0.35 116.97 123.37 2ki8 h TYR 48 Ca 0.47 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.80 2ki8 h TYR 48 Cb 0.48 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2ki8 h TYR 48 CO -0.02 0.55 -0.04 0.34 -1.32 0.00 0.00 178.16 177.66 2ki8 n PHE 49 N -4.43 0.00 0.05 -3.82 7.35 -0.23 -3.16 117.46 113.22 2ki8 n PHE 49 Ca 0.07 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.77 2ki8 n PHE 49 Cb 0.04 -0.36 0.01 0.00 0.35 0.00 0.00 39.48 39.52 2ki8 n PHE 49 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2ki8 n ASN 50 N -1.35 1.37 -0.10 -2.13 3.02 -0.74 -4.56 115.26 110.79 2ki8 n ASN 50 Ca 0.11 -1.28 -0.13 0.00 -0.03 0.00 0.00 54.58 53.25 2ki8 n ASN 50 Cb 0.29 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.01 0.81 -1.00 5.41 0.00 -0.22 -4.70 120.51 120.83 2ki8 n ALA 51 Ca 0.01 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.80 2ki8 n ALA 51 Cb 0.10 -0.02 0.29 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.46 2.43 -0.85 0.00 0.24 -1.23 -4.62 118.33 109.85 2ki8 n VAL 52 Ca -0.22 -1.80 0.08 0.00 -2.04 0.00 0.00 64.34 60.36 2ki8 n VAL 52 Cb 0.53 -0.27 0.34 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.28 4.86 -4.11 -1.34 5.03 -1.26 -4.58 115.26 113.59 2ki8 n ASN 53 Ca 0.24 -2.82 -0.10 0.00 0.87 0.00 0.00 54.58 52.77 2ki8 n ASN 53 Cb 0.99 -0.60 -0.09 0.00 -1.02 0.00 0.00 39.78 39.05 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 -2.53 0.75 -0.06 3.10 -0.85 -1.26 -1.24 117.35 115.27 2ki8 s TYR 54 Ca 0.49 -1.13 0.02 0.00 -0.52 0.00 0.00 57.07 55.93 2ki8 s TYR 54 Cb 0.36 -0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.33 2ki8 s TYR 54 CO 0.15 -0.56 -0.11 0.00 -1.52 0.00 0.00 175.55 173.52 2ki8 s ALA 55 N -4.03 1.13 -0.25 9.51 0.00 -0.03 -4.30 121.76 123.79 2ki8 s ALA 55 Ca 0.22 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 2ki8 s ALA 55 Cb 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2ki8 s ALA 55 CO 0.01 0.11 0.67 -1.21 0.00 0.00 0.00 175.76 175.34 2ki8 s GLU 56 N 0.61 4.13 0.10 0.00 2.02 0.23 -0.77 118.70 125.02 2ki8 s GLU 56 Ca -0.12 0.64 0.10 0.00 0.02 0.00 0.00 54.97 55.60 2ki8 s GLU 56 Cb -0.15 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2ki8 s GLU 56 CO 0.03 -0.42 -0.24 0.42 0.02 0.00 0.00 175.26 175.07 2ki8 s ILE 57 N 2.53 2.42 0.33 -1.63 1.01 0.15 -2.13 121.20 123.88 2ki8 s ILE 57 Ca 0.28 -1.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.10 2ki8 s ILE 57 Cb -0.15 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 2ki8 s ILE 57 CO 0.08 0.18 1.06 0.21 0.00 0.00 0.00 174.94 176.47 2ki8 s ASN 58 N -1.84 7.08 0.35 3.58 3.84 -1.26 -0.48 114.94 126.22 2ki8 s ASN 58 Ca 0.14 2.13 0.07 0.00 0.21 0.00 0.00 52.86 55.41 2ki8 s ASN 58 Cb -0.10 -2.61 0.75 0.00 -0.55 0.00 0.00 41.25 38.74 2ki8 s ASN 58 CO 0.06 -0.26 1.91 -0.08 -2.79 0.00 0.00 177.10 175.94 2ki8 h GLU 59 N 3.26 0.74 -0.14 0.43 4.81 -1.89 0.71 114.58 122.49 2ki8 h GLU 59 Ca -0.47 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 2ki8 h GLU 59 Cb 1.21 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 2ki8 h GLU 59 CO 0.65 0.49 -0.14 0.93 -0.73 0.00 0.00 179.01 180.21 2ki8 h GLU 60 N 0.77 -0.16 -0.27 1.92 4.39 -1.98 0.92 114.58 120.18 2ki8 h GLU 60 Ca 0.38 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.95 2ki8 h GLU 60 Cb 0.45 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2ki8 h GLU 60 CO -0.15 -0.11 -0.41 -0.44 -1.16 0.00 0.00 179.01 176.74 2ki8 h ASP 61 N -0.16 0.69 -0.20 1.42 3.32 -1.73 -2.63 116.42 117.13 2ki8 h ASP 61 Ca 0.10 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 56.89 2ki8 h ASP 61 Cb 0.31 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 2ki8 h ASP 61 CO -0.24 1.02 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.87 2ki8 h TRP 62 N 0.53 -0.45 -0.58 4.55 2.91 -0.39 -0.71 115.95 121.81 2ki8 h TRP 62 Ca 0.04 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.01 2ki8 h TRP 62 Cb 0.94 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 2ki8 h TRP 62 CO 0.04 -0.25 0.02 -0.91 -1.03 0.00 0.00 178.44 176.32 2ki8 h ASN 63 N -0.19 0.95 -0.69 2.65 2.35 -0.83 -1.85 115.58 117.97 2ki8 h ASN 63 Ca 0.12 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2ki8 h ASN 63 Cb 0.37 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 2ki8 h ASN 63 CO -0.31 1.00 0.43 0.00 -1.65 0.00 0.00 177.43 176.89 2ki8 h ALA 64 N 1.11 0.91 0.00 -0.83 0.00 -1.05 -1.05 119.26 118.34 2ki8 h ALA 64 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ki8 h ALA 64 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ki8 h ALA 64 CO 0.02 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2ki8 n LEU 65 N -4.68 0.00 -3.52 0.00 4.77 -0.31 -4.92 117.00 108.33 2ki8 n LEU 65 Ca 0.08 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 2ki8 n LEU 65 Cb 0.10 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 2ki8 n LEU 65 CO 0.32 -0.00 0.18 0.61 -1.33 0.00 0.00 177.39 177.17 2ki8 n GLY 66 N 1.08 -0.46 3.81 -0.72 0.00 -0.40 -4.67 105.19 103.84 2ki8 n GLY 66 Ca 0.21 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.85 4.44 0.11 0.99 1.43 -0.74 -5.04 118.68 113.02 2ki8 s LEU 67 Ca 0.30 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 2ki8 s LEU 67 Cb -0.13 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2ki8 s LEU 67 CO 0.73 0.14 -0.15 -1.58 0.23 0.00 0.00 176.35 175.72 2ki8 s GLN 68 N -1.58 1.91 -0.48 1.70 0.74 -1.26 -4.85 119.66 115.84 2ki8 s GLN 68 Ca 0.37 -1.13 -0.29 0.00 0.05 0.00 0.00 55.36 54.36 2ki8 s GLN 68 Cb -0.18 -2.18 -0.10 0.00 1.10 0.00 0.00 33.01 31.65 2ki8 s GLN 68 CO 0.21 0.49 2.38 0.39 -0.55 0.00 0.00 175.29 178.21 2ki8 n GLU 69 N 0.74 1.07 0.00 1.67 1.02 -1.26 -0.73 120.64 123.15 2ki8 n GLU 69 Ca -0.15 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2ki8 n GLU 69 Cb 0.53 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 2ki8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ki8 n GLY 70 N 6.15 1.33 3.59 0.62 0.00 -1.25 -5.11 105.19 110.52 2ki8 n GLY 70 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ki8 s ASP 71 N -1.54 2.01 -0.16 1.61 1.01 0.09 -4.73 116.67 114.96 2ki8 s ASP 71 Ca 0.00 1.51 -0.02 0.00 0.71 0.00 0.00 52.55 54.75 2ki8 s ASP 71 Cb 0.00 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 2ki8 s ASP 71 CO 0.00 -3.56 -0.10 -0.13 0.21 0.00 0.00 175.17 171.60 2ki8 s ARG 72 N -4.69 3.40 -0.05 8.23 0.52 -1.26 -0.90 118.95 124.20 2ki8 s ARG 72 Ca 0.67 -0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 2ki8 s ARG 72 Cb -0.22 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 2ki8 s ARG 72 CO 0.61 0.08 -0.15 0.14 0.02 0.00 0.00 175.30 175.99 2ki8 s VAL 73 N 0.73 3.00 -0.36 3.52 -7.23 -0.06 -1.98 120.40 118.02 2ki8 s VAL 73 Ca -0.04 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 2ki8 s VAL 73 Cb -0.15 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.63 2ki8 s VAL 73 CO 0.02 0.59 0.22 -0.75 -0.31 0.00 0.00 175.10 174.86 2ki8 s LYS 74 N -0.64 3.03 -0.21 4.82 2.20 0.42 -1.02 119.74 128.34 2ki8 s LYS 74 Ca 0.10 -0.95 -0.14 0.00 -0.36 0.00 0.00 55.97 54.62 2ki8 s LYS 74 Cb -0.11 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2ki8 s LYS 74 CO 0.01 -0.62 0.29 0.08 -0.36 0.00 0.00 175.35 174.75 2ki8 s VAL 75 N 1.61 5.28 -0.03 4.02 1.01 0.11 -2.44 120.40 129.95 2ki8 s VAL 75 Ca 0.03 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.57 2ki8 s VAL 75 Cb -0.18 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2ki8 s VAL 75 CO 0.08 0.31 -0.21 -0.54 0.00 0.00 0.00 175.10 174.73 2ki8 s LYS 76 N 1.04 2.30 0.07 2.72 3.01 0.57 -1.60 119.74 127.85 2ki8 s LYS 76 Ca 0.15 -0.84 0.01 0.00 -1.01 0.00 0.00 55.97 54.28 2ki8 s LYS 76 Cb -0.14 -2.18 -0.00 0.00 -1.01 0.00 0.00 37.83 34.50 2ki8 s LYS 76 CO 0.06 0.57 0.04 0.25 0.51 0.00 0.00 175.35 176.78 2ki8 n THR 77 N 2.43 0.00 1.29 2.17 -2.24 0.07 -0.29 114.28 117.71 2ki8 n THR 77 Ca -0.17 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.26 2ki8 n THR 77 Cb 0.52 0.20 0.66 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.48 -0.14 -0.78 0.28 -1.26 -3.71 120.64 115.36 2ki8 n GLU 78 Ca -0.00 0.04 -0.28 0.00 -0.16 0.00 0.00 57.16 56.76 2ki8 n GLU 78 Cb 0.12 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.39 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 -1.20 0.04 -2.67 -1.84 3.72 -1.26 -5.12 117.46 109.12 2ki8 n PHE 79 Ca 0.14 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2ki8 n PHE 79 Cb 0.17 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 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 1.42 1.10 3.17 1.37 0.00 -1.19 -4.96 105.19 106.11 2ki8 n GLY 80 Ca -0.53 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 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 1.18 0.78 -0.09 1.61 -1.05 -1.22 -0.75 118.70 119.16 2ki8 s GLU 81 Ca 0.00 -1.05 -0.25 0.00 -0.15 0.00 0.00 54.97 53.52 2ki8 s GLU 81 Cb 0.00 0.30 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 2ki8 s GLU 81 CO 0.00 -0.22 0.57 0.54 0.95 0.00 0.00 175.26 177.10 2ki8 s VAL 82 N -3.89 0.01 -0.28 1.83 0.11 -0.63 -4.80 120.40 112.77 2ki8 s VAL 82 Ca 0.06 -0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 2ki8 s VAL 82 Cb 0.06 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2ki8 s VAL 82 CO -0.10 -0.06 0.11 -0.69 -3.33 0.00 0.00 175.10 171.02 2ki8 s VAL 83 N -0.81 4.42 0.44 2.04 1.01 -1.26 -0.71 120.40 125.53 2ki8 s VAL 83 Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2ki8 s VAL 83 Cb -0.02 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2ki8 s VAL 83 CO 0.06 0.20 0.09 0.68 0.00 0.00 0.00 175.10 176.14 2ki8 s VAL 84 N 1.61 0.78 0.20 2.92 -7.23 -0.19 -2.22 120.40 116.27 2ki8 s VAL 84 Ca 0.05 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.95 2ki8 s VAL 84 Cb -0.16 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 2ki8 s VAL 84 CO 0.05 0.00 0.84 -0.36 -0.31 0.00 0.00 175.10 175.32 2ki8 s PHE 85 N -3.10 3.93 -0.18 2.82 0.08 -0.38 -0.88 117.98 120.27 2ki8 s PHE 85 Ca 0.19 1.75 -0.20 0.00 0.12 0.00 0.00 56.93 58.78 2ki8 s PHE 85 Cb 0.02 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 2ki8 s PHE 85 CO 0.11 0.49 0.59 0.00 -0.10 0.00 0.00 175.22 176.30 2ki8 s ALA 86 N -1.18 3.52 0.24 5.36 0.00 -0.08 -0.85 121.76 128.77 2ki8 s ALA 86 Ca 0.38 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.18 2ki8 s ALA 86 Cb -0.24 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2ki8 s ALA 86 CO 0.28 -0.43 -0.18 0.15 0.00 0.00 0.00 175.76 175.58 2ki8 s LYS 87 N 1.61 1.52 -0.35 0.00 1.02 0.05 -3.93 119.74 119.66 2ki8 s LYS 87 Ca 0.28 -1.66 -0.13 0.00 0.02 0.00 0.00 55.97 54.48 2ki8 s LYS 87 Cb -0.16 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 2ki8 s LYS 87 CO 0.11 0.28 0.26 0.21 -0.92 0.00 0.00 175.35 175.29 2ki8 s LYS 88 N -3.41 3.46 0.41 1.68 2.20 -1.26 0.33 119.74 123.15 2ki8 s LYS 88 Ca 0.25 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2ki8 s LYS 88 Cb -0.04 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2ki8 s LYS 88 CO 0.11 -0.48 0.01 0.41 -0.36 0.00 0.00 175.35 175.04 2ki8 n GLY 89 N 5.09 3.68 1.71 5.54 0.00 0.37 -4.75 105.19 116.82 2ki8 n GLY 89 Ca -0.12 -2.34 -0.13 0.00 0.00 0.00 0.00 46.02 43.43 2ki8 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ki8 n ASP 90 N -1.26 4.72 -4.91 1.61 9.92 -1.26 -4.49 116.55 120.88 2ki8 n ASP 90 Ca -0.17 -2.88 -0.31 0.00 -0.53 0.00 0.00 54.79 50.90 2ki8 n ASP 90 Cb 0.51 -0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ki8 s VAL 91 N -1.84 5.35 0.98 2.53 -7.23 -1.26 -5.10 120.40 113.83 2ki8 s VAL 91 Ca 0.28 -0.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 2ki8 s VAL 91 Cb 0.23 -3.60 0.18 0.00 0.56 0.00 0.00 36.38 33.75 2ki8 s VAL 91 CO 0.03 0.16 1.10 -2.84 -0.31 0.00 0.00 175.10 173.23 2ki8 s PRO 92 N -2.46 0.54 0.48 4.82 0.02 -1.26 -4.36 135.00 132.78 2ki8 s PRO 92 Ca 0.34 1.19 -0.22 0.00 0.02 0.00 0.00 61.00 62.32 2ki8 s PRO 92 Cb -0.13 -1.70 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 2ki8 s PRO 92 CO 0.27 -2.84 1.18 0.21 -0.33 0.00 0.00 177.00 175.49 2ki8 s LYS 93 N -4.65 3.63 -1.38 5.54 2.20 -1.26 -2.73 119.74 121.09 2ki8 s LYS 93 Ca 0.66 1.80 -0.02 0.00 -0.36 0.00 0.00 55.97 58.06 2ki8 s LYS 93 Cb -0.22 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2ki8 s LYS 93 CO 0.60 -0.67 0.25 0.41 -0.36 0.00 0.00 175.35 175.58 2ki8 n GLY 94 N 0.44 -0.32 3.33 5.54 0.00 -1.26 -5.00 105.19 107.92 2ki8 n GLY 94 Ca 0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.17 0.48 -0.01 1.61 0.00 -1.11 -1.96 119.30 113.15 2ki8 s MET 95 Ca 0.12 0.70 0.01 0.00 0.00 0.00 0.00 55.69 56.52 2ki8 s MET 95 Cb -0.05 0.16 0.00 0.00 0.00 0.00 0.00 34.83 34.93 2ki8 s MET 95 CO 0.15 -0.10 -0.03 0.96 0.00 0.00 0.00 175.02 176.01 2ki8 s ILE 96 N 0.67 0.22 -0.21 10.11 -4.36 0.04 -4.31 121.20 123.37 2ki8 s ILE 96 Ca -0.04 -0.10 -0.10 0.00 -0.26 0.00 0.00 60.65 60.16 2ki8 s ILE 96 Cb -0.05 -0.21 -0.05 0.00 1.25 0.00 0.00 42.46 43.40 2ki8 s ILE 96 CO -0.05 0.08 0.13 0.12 0.24 0.00 0.00 174.94 175.46 2ki8 s PHE 97 N 0.08 3.37 -0.07 1.37 5.36 -0.91 -1.44 117.98 125.74 2ki8 s PHE 97 Ca -0.00 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2ki8 s PHE 97 Cb -0.03 -2.17 -0.00 0.00 -0.34 0.00 0.00 43.02 40.48 2ki8 s PHE 97 CO -0.00 0.23 -0.21 0.42 -1.46 0.00 0.00 175.22 174.20 2ki8 s ILE 98 N 0.49 1.80 0.16 3.12 1.01 -0.04 -0.60 121.20 127.14 2ki8 s ILE 98 Ca 0.07 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 2ki8 s ILE 98 Cb -0.12 -1.55 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 2ki8 s ILE 98 CO -0.01 0.50 1.78 -2.84 0.00 0.00 0.00 174.94 174.38 2ki8 s PRO 99 N 0.17 4.13 -0.27 2.79 0.02 -1.26 -2.07 135.00 138.51 2ki8 s PRO 99 Ca -0.11 2.60 -0.33 0.00 0.02 0.00 0.00 61.00 63.18 2ki8 s PRO 99 Cb -0.15 -3.38 -0.10 0.00 0.02 0.00 0.00 34.50 30.89 2ki8 s PRO 99 CO 0.05 -0.80 2.14 -0.12 -0.33 0.00 0.00 177.00 177.94 2ki8 n MET 100 N 4.99 1.50 -2.33 5.54 1.56 -0.11 -4.64 117.12 123.63 2ki8 n MET 100 Ca 0.17 0.44 -0.03 0.00 -0.27 0.00 0.00 57.70 58.01 2ki8 n MET 100 Cb 0.37 -2.70 0.01 0.00 2.15 0.00 0.00 33.22 33.05 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 5.95 1.35 0.35 -5.12 0.00 -1.26 -4.48 105.19 101.98 2ki8 n GLY 101 Ca 0.35 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.45 0.32 1.61 0.13 -1.89 0.17 132.00 132.77 2ki8 h PRO 102 Ca -0.14 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2ki8 h PRO 102 Cb 0.55 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2ki8 h PRO 102 CO 0.18 0.30 -0.15 1.88 -0.23 0.00 0.00 178.00 179.97 2ki8 h TYR 103 N 0.46 -0.39 -0.76 1.56 -1.99 -1.92 -2.84 116.97 111.09 2ki8 h TYR 103 Ca 0.28 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.98 2ki8 h TYR 103 Cb 0.50 0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.32 2ki8 h TYR 103 CO -0.00 -0.13 0.40 0.00 -0.00 0.00 0.00 178.16 178.44 2ki8 h ALA 104 N 0.00 1.28 0.00 3.88 0.00 -1.68 -2.23 119.26 120.51 2ki8 h ALA 104 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ki8 h ALA 104 Cb 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ki8 h ALA 104 CO 0.07 0.58 0.10 -0.97 0.00 0.00 0.00 179.25 179.03 2ki8 h ASN 105 N 1.06 0.00 1.48 0.00 -1.24 -0.53 0.11 115.58 116.46 2ki8 h ASN 105 Ca 0.27 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.23 2ki8 h ASN 105 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 2ki8 h ASN 105 CO -0.04 0.00 -0.24 0.24 -1.29 0.00 0.00 177.43 176.10 2ki8 h MET 106 N 0.00 0.00 0.00 6.67 2.86 -1.16 -3.38 114.93 119.91 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 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2ki8 h MET 106 CO 0.00 0.24 -0.84 1.33 1.06 0.00 0.00 176.91 178.70 2ki8 n VAL 107 N -3.22 0.00 -2.16 -2.22 0.24 -0.11 -3.14 118.33 107.72 2ki8 n VAL 107 Ca 0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.04 2ki8 n VAL 107 Cb 0.57 -0.36 0.18 0.00 -1.47 0.00 0.00 33.84 32.75 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 -1.78 2.01 -0.36 1.34 -4.36 0.20 -4.51 121.20 113.73 2ki8 s ILE 108 Ca 0.00 -0.20 -0.09 0.00 -0.26 0.00 0.00 60.65 60.10 2ki8 s ILE 108 Cb 0.00 -2.81 0.03 0.00 1.25 0.00 0.00 42.46 40.93 2ki8 s ILE 108 CO 0.00 0.00 0.17 -0.62 0.24 0.00 0.00 174.94 174.73 2ki8 s ASP 109 N -4.90 5.58 0.00 4.36 2.15 -1.26 -4.89 116.67 117.71 2ki8 s ASP 109 Ca 0.73 -1.05 0.28 0.00 0.43 0.00 0.00 52.55 52.94 2ki8 s ASP 109 Cb -0.03 -1.97 1.13 0.00 -0.30 0.00 0.00 42.92 41.76 2ki8 s ASP 109 CO 0.51 -0.37 1.81 -0.81 -0.17 0.00 0.00 175.17 176.15 2ki8 n PRO 110 N 4.93 0.45 -0.05 4.34 -0.04 -1.26 -4.15 135.00 139.22 2ki8 n PRO 110 Ca -0.12 -0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2ki8 n PRO 110 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2ki8 n PRO 110 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2ki8 h SER 111 N 0.36 0.32 -4.07 3.54 0.02 -2.02 -3.44 113.55 108.26 2ki8 h SER 111 Ca 0.00 -0.41 -0.53 0.00 -0.84 0.00 0.00 61.79 60.01 2ki8 h SER 111 Cb 0.40 -0.09 0.11 0.00 0.14 0.00 0.00 62.40 62.96 2ki8 h SER 111 CO 0.00 0.66 0.50 0.28 -1.14 0.00 0.00 176.83 177.13 2ki8 s THR 112 N -4.57 2.64 -0.06 -2.27 -1.32 -1.26 -5.04 115.64 103.76 2ki8 s THR 112 Ca -0.14 0.43 0.04 0.00 -1.21 0.00 0.00 61.69 60.81 2ki8 s THR 112 Cb 0.05 -3.19 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 2ki8 s THR 112 CO 0.73 -0.06 -0.16 -0.62 -2.21 0.00 0.00 174.62 172.31 2ki8 s ASP 113 N -1.43 3.84 -0.06 8.08 2.15 -1.26 -5.09 116.67 122.89 2ki8 s ASP 113 Ca 0.73 -0.28 0.02 0.00 0.43 0.00 0.00 52.55 53.45 2ki8 s ASP 113 Cb -0.32 -0.95 0.02 0.00 -0.30 0.00 0.00 42.92 41.37 2ki8 s ASP 113 CO 0.36 0.30 -0.09 -0.83 -0.17 0.00 0.00 175.17 174.73 2ki8 s GLY 114 N -0.45 0.70 -0.21 2.66 0.00 -1.26 -5.13 107.32 103.63 2ki8 s GLY 114 Ca 0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 44.72 44.39 2ki8 s GLY 114 CO 0.02 0.29 0.03 -0.51 0.00 0.00 0.00 173.10 172.92 2ki8 s THR 115 N 0.86 4.15 -0.34 0.90 -4.23 -1.26 -4.99 115.64 110.73 2ki8 s THR 115 Ca -0.11 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2ki8 s THR 115 Cb -0.15 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2ki8 s THR 115 CO 0.01 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2ki8 n GLY 116 N 4.31 0.19 3.57 3.99 0.00 -1.26 -5.08 105.19 110.90 2ki8 n GLY 116 Ca -0.17 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 2ki8 n GLY 116 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ki8 s MET 117 N -0.39 -0.21 0.65 1.61 0.23 -1.26 -4.86 119.30 115.08 2ki8 s MET 117 Ca 0.00 0.94 0.23 0.00 -1.03 0.00 0.00 55.69 55.83 2ki8 s MET 117 Cb 0.00 -1.63 1.20 0.00 -1.53 0.00 0.00 34.83 32.87 2ki8 s MET 117 CO 0.00 -3.27 1.68 -1.35 -2.03 0.00 0.00 175.02 170.04 2ki8 h PRO 118 N -2.30 0.00 -1.07 3.16 0.11 -1.95 -3.47 132.00 126.47 2ki8 h PRO 118 Ca -0.56 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.56 2ki8 h PRO 118 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2ki8 h PRO 118 CO 0.50 0.00 -0.29 0.94 -0.21 0.00 0.00 178.00 178.94 2ki8 n GLN 119 N -2.90 -1.17 -2.46 1.05 7.27 -1.26 -4.53 117.38 113.38 2ki8 n GLN 119 Ca 0.01 0.91 -0.18 0.00 0.07 0.00 0.00 57.00 57.80 2ki8 n GLN 119 Cb 0.60 -1.16 0.08 0.00 2.41 0.00 0.00 30.24 32.18 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 -1.91 -2.74 -1.73 3.69 3.72 -1.26 -4.88 117.46 112.35 2ki8 n PHE 120 Ca -0.00 -1.64 0.00 0.00 -0.05 0.00 0.00 57.45 55.75 2ki8 n PHE 120 Cb 0.15 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 2ki8 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ki8 n LYS 121 N -2.37 -4.16 -3.22 -1.08 4.76 -1.26 -5.09 118.16 105.74 2ki8 n LYS 121 Ca 0.14 3.08 -0.15 0.00 -2.87 0.00 0.00 58.31 58.51 2ki8 n LYS 121 Cb 0.51 -3.27 -0.03 0.00 -1.84 0.00 0.00 35.03 30.39 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ki8 n GLY 122 N 1.42 3.90 3.63 0.72 0.00 -1.26 -4.88 105.19 108.72 2ki8 n GLY 122 Ca 0.00 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.87 4.77 0.60 1.61 1.01 0.13 -4.67 120.40 121.98 2ki8 s VAL 123 Ca 0.01 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 2ki8 s VAL 123 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2ki8 s VAL 123 CO 0.00 -0.18 1.04 -0.54 0.00 0.00 0.00 175.10 175.42 2ki8 s LYS 124 N 3.00 3.40 0.00 2.72 1.02 -1.26 -0.09 119.74 128.52 2ki8 s LYS 124 Ca 0.36 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.42 2ki8 s LYS 124 Cb -0.15 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2ki8 s LYS 124 CO 0.10 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 2ki8 n GLY 125 N -1.42 1.30 3.01 -3.33 0.00 0.91 -4.55 105.19 101.10 2ki8 n GLY 125 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 0.41 0.02 2.61 -4.23 0.60 -0.58 115.64 114.33 2ki8 s THR 126 Ca 0.00 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2ki8 s THR 126 Cb 0.00 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 2ki8 s THR 126 CO 0.00 -0.23 -0.16 0.54 -0.54 0.00 0.00 174.62 174.23 2ki8 s VAL 127 N -0.94 1.25 -0.03 2.29 0.11 -0.09 -0.32 120.40 122.68 2ki8 s VAL 127 Ca -0.07 -0.91 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 2ki8 s VAL 127 Cb -0.07 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 2ki8 s VAL 127 CO 0.00 0.17 0.28 -1.83 -3.33 0.00 0.00 175.10 170.38 2ki8 s GLU 128 N -0.86 0.58 0.27 1.54 -1.05 -1.02 -0.81 118.70 117.36 2ki8 s GLU 128 Ca 0.04 -0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 2ki8 s GLU 128 Cb -0.07 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2ki8 s GLU 128 CO 0.01 -0.15 1.13 0.21 0.95 0.00 0.00 175.26 177.41 2ki8 s LYS 129 N -1.09 4.59 0.22 -4.83 2.20 -1.26 -0.44 119.74 119.13 2ki8 s LYS 129 Ca -0.11 1.86 0.07 0.00 -0.36 0.00 0.00 55.97 57.42 2ki8 s LYS 129 Cb -0.05 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 2ki8 s LYS 129 CO 0.03 0.13 -0.11 -0.08 -0.36 0.00 0.00 175.35 174.96 2ki8 s THR 130 N -1.03 1.62 -2.19 3.43 -1.32 -0.84 -4.86 115.64 110.45 2ki8 s THR 130 Ca 0.46 -2.17 0.18 0.00 -1.21 0.00 0.00 61.69 58.95 2ki8 s THR 130 Cb -0.33 -2.14 0.43 0.00 -1.51 0.00 0.00 72.50 68.94 2ki8 s THR 130 CO 0.42 -0.52 1.43 0.47 -2.21 0.00 0.00 174.62 174.21 2ki8 n ASP 131 N -0.42 2.32 -4.93 8.08 8.00 -1.26 -4.76 116.55 123.59 2ki8 n ASP 131 Ca -0.07 -1.89 -0.26 0.00 0.71 0.00 0.00 54.79 53.28 2ki8 n ASP 131 Cb 0.61 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.56 2.84 0.44 -1.24 0.41 -1.26 -5.10 118.70 113.23 2ki8 s GLU 132 Ca 0.33 -0.13 -0.03 0.00 -0.41 0.00 0.00 54.97 54.73 2ki8 s GLU 132 Cb 0.18 -2.31 -0.03 0.00 -1.78 0.00 0.00 34.13 30.19 2ki8 s GLU 132 CO 0.25 -0.70 0.70 -1.59 -0.49 0.00 0.00 175.26 173.42 2ki8 s LYS 133 N -4.95 3.39 0.05 1.61 0.00 -1.26 -4.92 119.74 113.66 2ki8 s LYS 133 Ca 0.54 -0.10 -0.31 0.00 0.00 0.00 0.00 55.97 56.11 2ki8 s LYS 133 Cb -0.10 -2.49 -0.06 0.00 0.00 0.00 0.00 37.83 35.18 2ki8 s LYS 133 CO 0.44 -0.15 1.32 0.08 0.00 0.00 0.00 175.35 177.05 2ki8 s VAL 134 N -2.60 3.71 -0.90 1.79 1.01 -1.26 -4.77 120.40 117.38 2ki8 s VAL 134 Ca 0.46 1.18 -0.25 0.00 0.00 0.00 0.00 61.98 63.37 2ki8 s VAL 134 Cb -0.10 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2ki8 s VAL 134 CO 0.41 0.06 2.14 -0.76 0.00 0.00 0.00 175.10 176.95 2ki8 s LEU 135 N 1.58 2.97 0.59 3.92 1.43 -0.94 -4.92 118.68 123.29 2ki8 s LEU 135 Ca 0.62 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 2ki8 s LEU 135 Cb -0.32 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 2ki8 s LEU 135 CO 0.28 -3.40 0.72 -1.20 0.23 0.00 0.00 176.35 172.98 2ki8 n SER 136 N 16.36 -0.24 -0.27 2.29 7.64 -1.26 -4.32 113.62 133.81 2ki8 n SER 136 Ca 0.43 0.76 0.04 0.00 1.01 0.00 0.00 58.87 61.12 2ki8 n SER 136 Cb 0.45 -1.27 0.14 0.00 -1.01 0.00 0.00 64.21 62.52 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 0.31 0.25 -0.18 0.44 2.07 -1.98 0.37 116.25 117.53 2ki8 h VAL 137 Ca -0.47 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.82 2ki8 h VAL 137 Cb 1.38 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2ki8 h VAL 137 CO 0.49 0.01 -0.74 0.50 0.02 0.00 0.00 177.57 177.84 2ki8 h LYS 138 N 0.04 0.81 -0.72 1.57 3.64 -2.00 -2.89 116.57 117.02 2ki8 h LYS 138 Ca 0.41 -0.63 0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2ki8 h LYS 138 Cb 0.69 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2ki8 h LYS 138 CO -0.76 1.24 0.47 1.49 -2.27 0.00 0.00 179.45 179.63 2ki8 h GLU 139 N 0.56 0.75 -0.63 1.90 4.57 -0.74 0.11 114.58 121.11 2ki8 h GLU 139 Ca -0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2ki8 h GLU 139 Cb 1.37 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2ki8 h GLU 139 CO 0.15 0.50 0.29 1.25 -1.18 0.00 0.00 179.01 180.02 2ki8 h LEU 140 N 0.77 0.83 0.38 1.64 6.46 -0.72 -0.08 115.31 124.60 2ki8 h LEU 140 Ca 0.30 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2ki8 h LEU 140 Cb 0.22 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2ki8 h LEU 140 CO -0.10 0.74 -0.25 -0.07 -0.62 0.00 0.00 178.44 178.14 2ki8 h LEU 141 N 0.87 -0.64 -1.05 2.25 3.38 -0.65 -1.64 115.31 117.83 2ki8 h LEU 141 Ca 0.22 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.39 2ki8 h LEU 141 Cb 0.14 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2ki8 h LEU 141 CO -0.03 -0.40 0.62 -0.33 0.09 0.00 0.00 178.44 178.40 2ki8 h GLU 142 N -0.62 0.81 -0.61 1.13 4.39 -0.91 0.59 114.58 119.36 2ki8 h GLU 142 Ca -0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2ki8 h GLU 142 Cb 0.52 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2ki8 h GLU 142 CO 0.03 0.54 0.32 0.00 -1.16 0.00 0.00 179.01 178.73 2ki8 h ALA 143 N 1.60 0.78 -0.00 3.43 0.00 -0.59 -2.78 119.26 121.70 2ki8 h ALA 143 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2ki8 h ALA 143 Cb 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ki8 h ALA 143 CO -0.31 0.31 -0.27 0.44 0.00 0.00 0.00 179.25 179.42 2ki8 n ILE 144 N -4.55 0.00 0.00 0.00 -6.64 -0.49 -4.93 119.36 102.75 2ki8 n ILE 144 Ca 0.04 -0.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 2ki8 n ILE 144 Cb 0.10 0.14 0.00 0.00 -1.44 0.00 0.00 39.64 38.44 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 1.39 0.65 3.27 3.28 0.00 0.79 -5.08 105.19 109.49 2ki8 n GLY 145 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76