#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 1.20 3.45 3.03 0.00 -1.26 -5.15 105.19 106.47 2ki8 n GLY 2 Ca 0.00 0.44 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 5.70 0.57 1.61 1.04 -1.26 -5.09 113.70 116.27 2ki8 s SER 3 Ca 0.00 -0.57 0.09 0.00 0.48 0.00 0.00 55.95 55.94 2ki8 s SER 3 Cb 0.00 -2.04 0.10 0.00 0.10 0.00 0.00 66.02 64.18 2ki8 s SER 3 CO 0.00 -0.24 0.78 -1.20 0.98 0.00 0.00 173.24 173.56 2ki8 n SER 4 N 5.02 1.98 -3.68 7.02 7.64 -1.26 -5.15 113.62 125.18 2ki8 n SER 4 Ca -0.13 -2.45 -0.13 0.00 1.01 0.00 0.00 58.87 57.17 2ki8 n SER 4 Cb 0.49 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2ki8 n SER 4 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2ki8 s HIS 5 N -2.47 -0.26 -0.21 1.43 0.00 -1.26 -5.17 115.29 107.35 2ki8 s HIS 5 Ca 0.59 0.27 -0.19 0.00 -3.00 0.00 0.00 55.06 52.73 2ki8 s HIS 5 Cb -0.05 0.19 0.06 0.00 -4.00 0.00 0.00 32.58 28.78 2ki8 s HIS 5 CO 0.37 -0.53 0.56 -3.38 -1.00 0.00 0.00 174.74 170.77 2ki8 s HIS 6 N -2.16 -0.65 -0.22 0.38 0.00 -1.26 -5.18 115.29 106.21 2ki8 s HIS 6 Ca -0.07 1.54 -0.26 0.00 -3.00 0.00 0.00 55.06 53.26 2ki8 s HIS 6 Cb -0.02 0.24 0.08 0.00 -4.00 0.00 0.00 32.58 28.88 2ki8 s HIS 6 CO -0.00 -0.32 0.74 -3.38 -1.00 0.00 0.00 174.74 170.79 2ki8 s HIS 7 N 0.45 -0.72 -0.25 0.38 0.00 -1.26 -5.19 115.29 108.70 2ki8 s HIS 7 Ca -0.01 1.65 -0.26 0.00 -3.00 0.00 0.00 55.06 53.44 2ki8 s HIS 7 Cb -0.04 0.31 0.09 0.00 -4.00 0.00 0.00 32.58 28.94 2ki8 s HIS 7 CO -0.01 -0.42 0.86 -3.38 -1.00 0.00 0.00 174.74 170.79 2ki8 s HIS 8 N -0.02 -0.63 0.37 0.38 0.00 -1.26 -5.17 115.29 108.96 2ki8 s HIS 8 Ca -0.02 1.49 0.08 0.00 -3.00 0.00 0.00 55.06 53.60 2ki8 s HIS 8 Cb -0.04 0.33 -0.07 0.00 -4.00 0.00 0.00 32.58 28.80 2ki8 s HIS 8 CO 0.02 -0.33 -0.03 -1.01 -1.00 0.00 0.00 174.74 172.39 2ki8 s HIS 9 N 0.11 2.40 -0.13 0.38 4.02 -1.26 -5.17 115.29 115.64 2ki8 s HIS 9 Ca 0.00 -0.63 -0.11 0.00 1.02 0.00 0.00 55.06 55.34 2ki8 s HIS 9 Cb -0.04 -1.55 0.04 0.00 -1.02 0.00 0.00 32.58 30.01 2ki8 s HIS 9 CO -0.01 0.46 0.34 -3.38 1.02 0.00 0.00 174.74 173.17 2ki8 s HIS 10 N -2.73 -0.39 -0.04 1.40 0.00 -1.26 -5.16 115.29 107.10 2ki8 s HIS 10 Ca 0.34 0.94 0.00 0.00 -3.00 0.00 0.00 55.06 53.34 2ki8 s HIS 10 Cb 0.07 0.14 -0.03 0.00 -4.00 0.00 0.00 32.58 28.75 2ki8 s HIS 10 CO 0.17 -0.20 -0.00 -1.12 -1.00 0.00 0.00 174.74 172.59 2ki8 s SER 11 N 0.35 5.12 -0.03 7.38 0.01 -1.26 -5.12 113.70 120.15 2ki8 s SER 11 Ca -0.01 0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 2ki8 s SER 11 Cb -0.03 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.85 2ki8 s SER 11 CO -0.01 0.32 0.05 -0.94 0.41 0.00 0.00 173.24 173.08 2ki8 s SER 12 N -1.24 0.00 0.00 2.44 1.04 -1.26 -5.14 113.70 109.54 2ki8 s SER 12 Ca 0.17 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2ki8 s SER 12 Cb -0.11 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2ki8 s SER 12 CO 0.07 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2ki8 n GLY 13 N 3.88 3.09 2.87 7.32 0.00 -1.26 -5.15 105.19 115.94 2ki8 n GLY 13 Ca -0.23 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2ki8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ki8 s ARG 14 N -0.88 0.87 0.72 1.61 1.81 -1.26 -5.16 118.95 116.65 2ki8 s ARG 14 Ca 0.00 -0.08 -0.10 0.00 -1.72 0.00 0.00 55.73 53.84 2ki8 s ARG 14 Cb 0.00 -0.95 0.04 0.00 -0.45 0.00 0.00 34.95 33.59 2ki8 s ARG 14 CO 0.00 -0.15 1.07 -1.21 -0.68 0.00 0.00 175.30 174.33 2ki8 s GLU 15 N 1.23 2.46 0.14 3.54 0.41 -1.26 -4.98 118.70 120.23 2ki8 s GLU 15 Ca -0.06 0.12 -0.35 0.00 -0.41 0.00 0.00 54.97 54.27 2ki8 s GLU 15 Cb -0.14 -2.08 -0.15 0.00 -1.78 0.00 0.00 34.13 29.98 2ki8 s GLU 15 CO -0.02 -1.19 1.38 0.09 -0.49 0.00 0.00 175.26 175.04 2ki8 n ASN 16 N -3.00 2.12 -4.71 -0.19 4.13 -1.26 -4.96 115.26 107.39 2ki8 n ASN 16 Ca 0.07 1.12 -0.39 0.00 1.68 0.00 0.00 54.58 57.06 2ki8 n ASN 16 Cb 0.59 -1.29 -0.06 0.00 -1.54 0.00 0.00 39.78 37.48 2ki8 n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2ki8 s LEU 17 N 0.58 4.27 0.00 3.41 2.01 -1.26 -4.97 118.68 122.72 2ki8 s LEU 17 Ca 0.79 0.91 0.00 0.00 0.01 0.00 0.00 54.13 55.83 2ki8 s LEU 17 Cb -0.82 -2.81 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2ki8 s LEU 17 CO 0.46 -0.06 0.00 -1.22 1.01 0.00 0.00 176.35 176.53 2ki8 n TYR 18 N 3.88 -1.12 -4.22 0.29 4.01 -1.26 -4.94 117.16 113.80 2ki8 n TYR 18 Ca -0.05 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.53 2ki8 n TYR 18 Cb 0.51 0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 2ki8 n TYR 18 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ki8 n PHE 19 N -0.50 0.19 -3.49 -0.72 3.72 -1.26 -5.15 117.46 110.25 2ki8 n PHE 19 Ca 0.00 -1.29 -0.25 0.00 -0.05 0.00 0.00 57.45 55.87 2ki8 n PHE 19 Cb 0.00 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 2ki8 n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2ki8 s GLN 20 N -3.01 3.50 0.00 -1.08 1.11 -1.26 -5.04 119.66 113.88 2ki8 s GLN 20 Ca 0.04 -0.34 0.00 0.00 0.01 0.00 0.00 55.36 55.07 2ki8 s GLN 20 Cb -0.00 -2.71 0.00 0.00 -1.01 0.00 0.00 33.01 29.28 2ki8 s GLN 20 CO 0.03 0.23 0.00 0.41 0.01 0.00 0.00 175.29 175.96 2ki8 n GLY 21 N -1.47 0.37 3.17 3.09 0.00 -1.26 -5.09 105.19 104.01 2ki8 n GLY 21 Ca -0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 2ki8 n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ki8 s HIS 22 N -4.00 -0.80 0.08 1.61 -3.43 -1.26 -5.15 115.29 102.34 2ki8 s HIS 22 Ca 0.00 1.34 -0.20 0.00 -0.80 0.00 0.00 55.06 55.40 2ki8 s HIS 22 Cb 0.00 0.23 -0.07 0.00 -1.43 0.00 0.00 32.58 31.31 2ki8 s HIS 22 CO 0.00 -0.53 0.60 0.00 -2.00 0.00 0.00 174.74 172.80 2ki8 s MET 23 N 2.59 4.25 -0.07 -0.38 0.23 -1.26 -4.90 119.30 119.76 2ki8 s MET 23 Ca 0.02 0.79 -0.19 0.00 -1.03 0.00 0.00 55.69 55.28 2ki8 s MET 23 Cb -0.13 -3.25 -0.05 0.00 -1.53 0.00 0.00 34.83 29.88 2ki8 s MET 23 CO -0.13 0.61 0.53 -0.51 -2.03 0.00 0.00 175.02 173.48 2ki8 s LEU 24 N -1.03 4.33 -0.25 0.18 1.43 0.17 -4.87 118.68 118.64 2ki8 s LEU 24 Ca 0.30 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 2ki8 s LEU 24 Cb -0.20 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.24 2ki8 s LEU 24 CO 0.20 0.04 1.11 -1.61 0.23 0.00 0.00 176.35 176.32 2ki8 s GLU 25 N 0.29 4.17 0.12 1.70 2.02 -1.26 -0.25 118.70 125.49 2ki8 s GLU 25 Ca 0.29 1.33 -0.01 0.00 0.02 0.00 0.00 54.97 56.60 2ki8 s GLU 25 Cb -0.16 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2ki8 s GLU 25 CO 0.13 -0.76 0.04 0.14 0.02 0.00 0.00 175.26 174.82 2ki8 s VAL 26 N 3.49 0.20 -0.26 2.63 -7.23 -0.24 -4.63 120.40 114.36 2ki8 s VAL 26 Ca 0.47 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2ki8 s VAL 26 Cb -0.16 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 2ki8 s VAL 26 CO 0.12 -0.55 0.20 -0.70 -0.31 0.00 0.00 175.10 173.86 2ki8 s GLU 27 N -4.01 4.00 -0.42 4.82 2.12 -0.88 -0.21 118.70 124.12 2ki8 s GLU 27 Ca 0.21 -0.26 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 2ki8 s GLU 27 Cb 0.07 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2ki8 s GLU 27 CO 0.00 -0.10 0.45 0.08 -0.54 0.00 0.00 175.26 175.15 2ki8 s VAL 28 N 1.53 5.07 0.34 3.70 1.01 0.11 -0.70 120.40 131.47 2ki8 s VAL 28 Ca 0.08 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2ki8 s VAL 28 Cb -0.15 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2ki8 s VAL 28 CO 0.09 -0.43 0.52 -0.63 0.00 0.00 0.00 175.10 174.66 2ki8 s ILE 29 N 2.18 4.89 -0.37 2.22 1.01 -0.63 0.51 121.20 131.00 2ki8 s ILE 29 Ca 0.13 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ki8 s ILE 29 Cb -0.17 -3.77 0.12 0.00 0.01 0.00 0.00 42.46 38.65 2ki8 s ILE 29 CO 0.14 -0.45 0.16 -0.44 0.00 0.00 0.00 174.94 174.34 2ki8 s SER 30 N -4.06 3.96 -0.15 3.58 0.01 -1.22 -1.45 113.70 114.37 2ki8 s SER 30 Ca 0.40 -2.15 -0.26 0.00 1.31 0.00 0.00 55.95 55.25 2ki8 s SER 30 Cb -0.10 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2ki8 s SER 30 CO 0.35 -0.34 0.86 -0.83 0.41 0.00 0.00 173.24 173.68 2ki8 s GLY 31 N 0.95 2.18 -1.04 3.44 0.00 -0.69 -4.49 107.32 107.67 2ki8 s GLY 31 Ca 0.13 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.73 2ki8 s GLY 31 CO -0.12 1.69 1.87 -1.60 0.00 0.00 0.00 173.10 174.95 2ki8 s ARG 32 N 2.05 2.76 -0.00 2.90 3.52 -1.26 -0.72 118.95 128.20 2ki8 s ARG 32 Ca 0.40 -0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 54.96 2ki8 s ARG 32 Cb -0.17 -5.19 -0.19 0.00 -1.56 0.00 0.00 34.95 27.84 2ki8 s ARG 32 CO 0.14 -3.36 1.31 1.79 -0.81 0.00 0.00 175.30 174.37 2ki8 h THR 33 N 6.73 1.36 -3.13 4.11 1.35 -1.93 -3.41 112.91 117.98 2ki8 h THR 33 Ca 0.17 -1.10 -0.57 0.00 -0.55 0.00 0.00 66.41 64.37 2ki8 h THR 33 Cb 0.97 2.04 -0.05 0.00 -1.73 0.00 0.00 68.15 69.39 2ki8 h THR 33 CO 1.26 0.29 1.12 -0.76 -0.25 0.00 0.00 175.52 177.18 2ki8 s LEU 34 N -9.27 3.57 0.61 3.87 1.43 -1.26 -4.89 118.68 112.74 2ki8 s LEU 34 Ca -0.15 0.95 0.37 0.00 -1.03 0.00 0.00 54.13 54.27 2ki8 s LEU 34 Cb 0.03 -3.54 1.99 0.00 0.03 0.00 0.00 46.19 44.70 2ki8 s LEU 34 CO 0.69 -1.49 2.25 0.78 0.23 0.00 0.00 176.35 178.80 2ki8 h ASN 35 N 11.19 0.00 1.30 2.29 2.35 -2.02 -1.12 115.58 129.57 2ki8 h ASN 35 Ca -0.29 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 2ki8 h ASN 35 Cb 1.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 2ki8 h ASN 35 CO 1.07 0.02 -0.73 1.56 -1.65 0.00 0.00 177.43 177.71 2ki8 h GLN 36 N 0.00 0.00 0.00 0.81 4.20 -1.96 -3.49 115.11 114.67 2ki8 h GLN 36 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ki8 h GLN 36 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2ki8 h GLN 36 CO 0.00 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 2ki8 n GLY 37 N 1.22 1.18 5.83 3.46 0.00 -0.43 -4.98 105.19 111.48 2ki8 n GLY 37 Ca -0.01 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.35 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 n ALA 38 N 5.54 -0.70 -2.98 4.61 0.00 -1.26 -4.90 120.51 120.83 2ki8 n ALA 38 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 2ki8 n ALA 38 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 19.45 19.26 2ki8 n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ki8 n THR 39 N -2.23 0.00 -0.06 0.00 -2.24 -1.26 -5.04 114.28 103.45 2ki8 n THR 39 Ca 0.00 -1.29 -0.09 0.00 -2.27 0.00 0.00 64.05 60.40 2ki8 n THR 39 Cb 0.12 -0.70 0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2ki8 n THR 39 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ki8 h VAL 40 N 0.02 1.29 0.00 2.28 2.07 -1.91 -3.13 116.25 116.85 2ki8 h VAL 40 Ca -0.19 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2ki8 h VAL 40 Cb 0.85 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2ki8 h VAL 40 CO 0.26 0.49 0.00 -0.33 0.02 0.00 0.00 177.57 178.01 2ki8 h GLU 41 N 0.59 0.00 -0.00 1.57 5.08 -1.97 -0.89 114.58 118.96 2ki8 h GLU 41 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2ki8 h GLU 41 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2ki8 h GLU 41 CO 0.08 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 179.01 2ki8 h GLU 42 N 0.00 0.01 -2.13 2.33 3.07 -1.95 -3.31 114.58 112.60 2ki8 h GLU 42 Ca 0.00 -0.00 -0.77 0.00 -0.50 0.00 0.00 59.36 58.08 2ki8 h GLU 42 Cb 0.54 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.17 2ki8 h GLU 42 CO 0.00 0.54 0.88 1.63 -1.40 0.00 0.00 179.01 180.67 2ki8 n LYS 43 N -4.83 4.26 0.00 2.33 4.01 -0.99 -4.85 118.16 118.10 2ki8 n LYS 43 Ca -0.09 -4.26 0.00 0.00 -0.51 0.00 0.00 58.31 53.46 2ki8 n LYS 43 Cb 0.27 -2.38 0.00 0.00 -0.51 0.00 0.00 35.03 32.42 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2ki8 n LEU 44 N -0.26 1.75 -4.91 -0.35 7.94 -0.37 -4.47 117.00 116.34 2ki8 n LEU 44 Ca 0.48 -0.88 -0.28 0.00 -1.11 0.00 0.00 56.01 54.23 2ki8 n LEU 44 Cb 0.27 -0.36 0.01 0.00 0.53 0.00 0.00 43.42 43.87 2ki8 n LEU 44 CO 0.50 0.31 0.49 0.28 -1.11 0.00 0.00 177.39 177.86 2ki8 s THR 45 N -0.10 4.63 0.53 1.96 -1.32 -1.26 -4.97 115.64 115.10 2ki8 s THR 45 Ca 0.00 0.23 0.18 0.00 -1.21 0.00 0.00 61.69 60.89 2ki8 s THR 45 Cb 0.00 -3.78 0.29 0.00 -1.51 0.00 0.00 72.50 67.50 2ki8 s THR 45 CO 0.00 -0.80 2.15 -0.08 -2.21 0.00 0.00 174.62 173.67 2ki8 h GLU 46 N 0.09 0.00 -0.81 7.08 4.81 -2.01 -1.38 114.58 122.36 2ki8 h GLU 46 Ca -0.46 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.87 2ki8 h GLU 46 Cb 1.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2ki8 h GLU 46 CO 0.61 0.00 0.53 0.93 -0.73 0.00 0.00 179.01 180.35 2ki8 h GLU 47 N 0.00 0.71 -0.46 1.92 5.08 -1.93 -1.01 114.58 118.89 2ki8 h GLU 47 Ca 0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2ki8 h GLU 47 Cb 0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2ki8 h GLU 47 CO -0.00 0.47 0.05 -0.92 -1.00 0.00 0.00 179.01 177.61 2ki8 h TYR 48 N 0.73 0.83 0.70 4.33 5.03 -1.47 -2.00 116.97 125.12 2ki8 h TYR 48 Ca 0.38 -0.12 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 2ki8 h TYR 48 Cb 0.48 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2ki8 h TYR 48 CO -0.00 0.78 -0.39 0.35 -1.32 0.00 0.00 178.16 177.58 2ki8 h PHE 49 N 0.63 -1.04 -0.00 -3.82 3.57 -1.20 -2.61 116.94 112.47 2ki8 h PHE 49 Ca 0.14 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2ki8 h PHE 49 Cb 0.42 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 2ki8 h PHE 49 CO 0.03 -0.60 0.00 -0.91 -2.23 0.00 0.00 178.31 174.60 2ki8 h ASN 50 N -1.01 0.00 0.60 0.41 2.35 -1.35 -1.50 115.58 115.08 2ki8 h ASN 50 Ca -0.10 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.45 2ki8 h ASN 50 Cb 0.80 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2ki8 h ASN 50 CO 0.12 0.00 -0.93 0.00 -1.65 0.00 0.00 177.43 174.97 2ki8 h ALA 51 N 2.00 0.45 0.00 -0.83 0.00 -1.12 -3.37 119.26 116.39 2ki8 h ALA 51 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2ki8 h ALA 51 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ki8 h ALA 51 CO -0.00 0.94 -0.04 1.33 0.00 0.00 0.00 179.25 181.48 2ki8 n VAL 52 N -3.63 1.18 -0.56 0.00 0.24 -0.91 -4.67 118.33 109.98 2ki8 n VAL 52 Ca -0.04 -1.33 0.06 0.00 -2.04 0.00 0.00 64.34 60.99 2ki8 n VAL 52 Cb 0.84 0.25 0.34 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.78 4.91 -3.90 -1.34 3.02 -0.61 -4.68 115.26 111.87 2ki8 n ASN 53 Ca 0.06 -2.75 -0.09 0.00 -0.03 0.00 0.00 54.58 51.77 2ki8 n ASN 53 Cb 0.46 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.43 0.21 0.00 3.10 1.13 -1.26 -1.11 117.35 116.99 2ki8 s TYR 54 Ca 0.45 -0.64 0.06 0.00 -1.41 0.00 0.00 57.07 55.54 2ki8 s TYR 54 Cb 0.34 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 2ki8 s TYR 54 CO 0.14 -0.49 -0.19 0.00 -2.51 0.00 0.00 175.55 172.49 2ki8 s ALA 55 N -3.68 1.61 -0.39 9.51 0.00 -0.07 -4.37 121.76 124.37 2ki8 s ALA 55 Ca 0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 2ki8 s ALA 55 Cb 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2ki8 s ALA 55 CO -0.10 0.38 0.37 -1.21 0.00 0.00 0.00 175.76 175.20 2ki8 s GLU 56 N -0.68 3.23 0.10 0.00 2.02 0.19 -1.24 118.70 122.32 2ki8 s GLU 56 Ca 0.07 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.41 2ki8 s GLU 56 Cb -0.08 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 2ki8 s GLU 56 CO 0.00 -0.70 -0.05 0.42 0.02 0.00 0.00 175.26 174.95 2ki8 s ILE 57 N 1.96 3.69 0.38 -1.63 1.09 0.16 -1.93 121.20 124.92 2ki8 s ILE 57 Ca 0.10 -1.13 -0.25 0.00 -1.10 0.00 0.00 60.65 58.27 2ki8 s ILE 57 Cb -0.17 -2.74 -0.09 0.00 -1.06 0.00 0.00 42.46 38.40 2ki8 s ILE 57 CO 0.12 0.12 1.07 0.21 -0.10 0.00 0.00 174.94 176.36 2ki8 s ASN 58 N -2.25 6.80 0.46 3.58 3.84 -1.26 -0.56 114.94 125.55 2ki8 s ASN 58 Ca 0.23 2.12 0.17 0.00 0.21 0.00 0.00 52.86 55.59 2ki8 s ASN 58 Cb -0.11 -2.60 1.13 0.00 -0.55 0.00 0.00 41.25 39.12 2ki8 s ASN 58 CO 0.16 -0.47 1.97 -0.08 -2.79 0.00 0.00 177.10 175.89 2ki8 h GLU 59 N 2.72 0.30 0.29 0.43 4.81 -1.89 0.83 114.58 122.07 2ki8 h GLU 59 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2ki8 h GLU 59 Cb 1.22 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2ki8 h GLU 59 CO 0.63 0.20 -0.38 0.93 -0.73 0.00 0.00 179.01 179.65 2ki8 h GLU 60 N 0.31 -0.70 -0.28 1.92 4.39 -1.97 0.93 114.58 119.17 2ki8 h GLU 60 Ca 0.30 0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 2ki8 h GLU 60 Cb 0.75 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2ki8 h GLU 60 CO -0.07 -0.47 -0.22 -0.44 -1.16 0.00 0.00 179.01 176.65 2ki8 h ASP 61 N -0.73 0.53 -0.33 1.42 5.19 -1.78 -2.40 116.42 118.32 2ki8 h ASP 61 Ca -0.01 -0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.30 2ki8 h ASP 61 Cb 0.68 -0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.99 2ki8 h ASP 61 CO -0.12 0.75 -0.10 -0.25 -3.12 0.00 0.00 179.24 176.40 2ki8 h TRP 62 N 0.47 -0.22 -0.39 4.55 2.91 -0.47 -2.03 115.95 120.77 2ki8 h TRP 62 Ca 0.07 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.98 2ki8 h TRP 62 Cb 0.64 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 2ki8 h TRP 62 CO 0.02 -0.16 -0.33 -0.91 -1.03 0.00 0.00 178.44 176.03 2ki8 h ASN 63 N -0.02 0.93 -0.65 2.65 2.35 -0.74 -1.08 115.58 119.01 2ki8 h ASN 63 Ca 0.16 -0.40 0.10 0.00 -0.55 0.00 0.00 56.30 55.61 2ki8 h ASN 63 Cb 0.27 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2ki8 h ASN 63 CO -0.35 1.17 0.43 0.00 -1.65 0.00 0.00 177.43 177.03 2ki8 h ALA 64 N 0.88 1.96 0.00 -0.83 0.00 -0.91 -0.80 119.26 119.56 2ki8 h ALA 64 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ki8 h ALA 64 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ki8 h ALA 64 CO 0.08 -0.10 -1.08 1.28 0.00 0.00 0.00 179.25 179.42 2ki8 n LEU 65 N -4.48 0.68 -1.21 0.00 4.77 -0.81 -5.00 117.00 110.95 2ki8 n LEU 65 Ca 0.11 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.27 2ki8 n LEU 65 Cb 0.36 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2ki8 n LEU 65 CO 0.34 -0.10 0.02 0.61 -1.33 0.00 0.00 177.39 176.93 2ki8 n GLY 66 N 1.25 0.47 3.80 -0.72 0.00 -0.31 -4.83 105.19 104.85 2ki8 n GLY 66 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.39 4.41 0.17 0.99 1.43 -0.49 -5.03 118.68 117.78 2ki8 s LEU 67 Ca 0.03 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 2ki8 s LEU 67 Cb -0.01 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2ki8 s LEU 67 CO 0.11 0.06 0.27 -1.10 0.23 0.00 0.00 176.35 175.93 2ki8 s GLN 68 N -1.75 3.34 -0.84 1.70 -0.21 -1.26 -4.87 119.66 115.77 2ki8 s GLN 68 Ca 0.42 -0.69 -0.25 0.00 0.02 0.00 0.00 55.36 54.86 2ki8 s GLN 68 Cb -0.19 -2.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.92 2ki8 s GLN 68 CO 0.23 0.49 1.79 -1.21 -2.12 0.00 0.00 175.29 174.47 2ki8 s GLU 69 N -3.39 2.80 0.00 2.91 2.02 -1.26 -0.65 118.70 121.14 2ki8 s GLU 69 Ca 0.34 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.12 2ki8 s GLU 69 Cb -0.10 -4.88 0.00 0.00 0.10 0.00 0.00 34.13 29.25 2ki8 s GLU 69 CO 0.28 -2.92 0.00 0.41 0.02 0.00 0.00 175.26 173.04 2ki8 n GLY 70 N 6.46 0.79 3.46 -1.39 0.00 -1.23 -5.12 105.19 108.17 2ki8 n GLY 70 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2ki8 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ki8 s ASP 71 N -0.55 0.42 -0.17 1.61 -1.08 0.18 -4.70 116.67 112.37 2ki8 s ASP 71 Ca 0.00 1.12 -0.02 0.00 -0.52 0.00 0.00 52.55 53.14 2ki8 s ASP 71 Cb 0.00 -1.69 -0.01 0.00 -1.46 0.00 0.00 42.92 39.76 2ki8 s ASP 71 CO 0.00 -4.49 -0.10 -0.13 0.52 0.00 0.00 175.17 170.97 2ki8 s ARG 72 N -4.84 3.34 -0.01 4.34 0.52 -1.26 -0.89 118.95 120.14 2ki8 s ARG 72 Ca 0.68 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 2ki8 s ARG 72 Cb -0.18 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2ki8 s ARG 72 CO 0.61 -0.01 -0.14 0.14 0.02 0.00 0.00 175.30 175.91 2ki8 s VAL 73 N 0.95 3.06 0.02 3.52 -7.23 -0.18 -2.70 120.40 117.84 2ki8 s VAL 73 Ca -0.02 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2ki8 s VAL 73 Cb -0.15 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2ki8 s VAL 73 CO -0.01 0.49 0.21 -0.75 -0.31 0.00 0.00 175.10 174.73 2ki8 s LYS 74 N -1.04 3.47 -0.10 4.82 2.20 0.81 -0.63 119.74 129.27 2ki8 s LYS 74 Ca 0.13 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2ki8 s LYS 74 Cb -0.11 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2ki8 s LYS 74 CO 0.03 0.64 -0.10 0.08 -0.36 0.00 0.00 175.35 175.64 2ki8 s VAL 75 N -1.40 1.14 -0.04 4.02 1.01 0.91 -1.23 120.40 124.82 2ki8 s VAL 75 Ca 0.30 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2ki8 s VAL 75 Cb -0.13 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2ki8 s VAL 75 CO 0.21 0.38 -0.05 -0.54 0.00 0.00 0.00 175.10 175.10 2ki8 s LYS 76 N 1.26 0.89 0.05 2.72 1.02 -0.02 -1.08 119.74 124.59 2ki8 s LYS 76 Ca -0.03 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.83 2ki8 s LYS 76 Cb -0.14 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2ki8 s LYS 76 CO -0.04 -0.06 0.03 0.25 -0.92 0.00 0.00 175.35 174.61 2ki8 n THR 77 N 3.97 0.00 0.32 2.17 -2.24 -0.09 0.32 114.28 118.74 2ki8 n THR 77 Ca -0.25 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2ki8 n THR 77 Cb 0.51 0.14 0.53 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.09 0.19 0.02 -0.78 0.28 -1.26 -3.02 120.64 115.97 2ki8 n GLU 78 Ca 0.00 0.50 -0.20 0.00 -0.16 0.00 0.00 57.16 57.30 2ki8 n GLU 78 Cb 0.08 -1.92 -0.14 0.00 1.43 0.00 0.00 31.44 30.89 2ki8 n GLU 78 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2ki8 h PHE 79 N 0.00 0.47 0.00 -1.84 -1.00 -1.83 -3.51 116.94 109.22 2ki8 h PHE 79 Ca 0.00 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.44 2ki8 h PHE 79 Cb 0.26 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2ki8 h PHE 79 CO 0.00 1.66 0.00 0.41 -1.61 0.00 0.00 178.31 178.77 2ki8 n GLY 80 N 1.91 -0.59 3.10 -1.45 0.00 -0.99 -4.86 105.19 102.31 2ki8 n GLY 80 Ca -0.28 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.37 0.63 -0.03 1.61 1.03 -1.26 -0.91 118.70 118.40 2ki8 s GLU 81 Ca 0.00 -0.82 -0.11 0.00 0.03 0.00 0.00 54.97 54.07 2ki8 s GLU 81 Cb 0.00 -0.48 0.02 0.00 -0.80 0.00 0.00 34.13 32.87 2ki8 s GLU 81 CO 0.00 0.10 0.24 0.54 -1.33 0.00 0.00 175.26 174.81 2ki8 s VAL 82 N -1.33 0.05 -0.23 1.83 0.11 -0.24 -4.90 120.40 115.69 2ki8 s VAL 82 Ca -0.07 -0.41 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2ki8 s VAL 82 Cb -0.10 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2ki8 s VAL 82 CO 0.01 -0.23 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.84 2ki8 s VAL 83 N -0.95 3.51 0.36 2.04 1.01 -1.26 -0.06 120.40 125.05 2ki8 s VAL 83 Ca -0.10 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2ki8 s VAL 83 Cb -0.05 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2ki8 s VAL 83 CO 0.02 0.36 0.10 0.68 0.00 0.00 0.00 175.10 176.26 2ki8 s VAL 84 N 1.49 0.82 0.34 2.92 -7.23 0.20 -1.66 120.40 117.28 2ki8 s VAL 84 Ca 0.05 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 2ki8 s VAL 84 Cb -0.15 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 2ki8 s VAL 84 CO -0.02 0.00 1.06 -0.36 -0.31 0.00 0.00 175.10 175.47 2ki8 s PHE 85 N -3.29 3.44 -0.24 2.82 0.08 -0.27 -1.01 117.98 119.51 2ki8 s PHE 85 Ca 0.30 1.69 -0.16 0.00 0.12 0.00 0.00 56.93 58.87 2ki8 s PHE 85 Cb 0.05 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 2ki8 s PHE 85 CO 0.15 -0.50 0.41 0.00 -0.10 0.00 0.00 175.22 175.18 2ki8 s ALA 86 N -1.45 3.57 -0.00 5.36 0.00 -0.06 -0.90 121.76 128.28 2ki8 s ALA 86 Ca 0.52 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2ki8 s ALA 86 Cb -0.26 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2ki8 s ALA 86 CO 0.33 -0.53 -0.15 0.15 0.00 0.00 0.00 175.76 175.55 2ki8 s LYS 87 N 1.81 1.20 -0.64 0.00 1.02 -0.37 -3.52 119.74 119.25 2ki8 s LYS 87 Ca 0.18 -0.60 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 2ki8 s LYS 87 Cb -0.15 -1.18 0.03 0.00 -0.52 0.00 0.00 37.83 36.01 2ki8 s LYS 87 CO 0.09 0.32 1.22 0.21 -0.92 0.00 0.00 175.35 176.27 2ki8 s LYS 88 N -0.53 3.40 0.00 1.68 2.20 -1.26 -0.66 119.74 124.57 2ki8 s LYS 88 Ca 0.05 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 2ki8 s LYS 88 Cb -0.06 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2ki8 s LYS 88 CO -0.00 -1.84 0.00 0.41 -0.36 0.00 0.00 175.35 173.56 2ki8 n GLY 89 N 5.17 2.03 1.52 5.54 0.00 0.28 -4.84 105.19 114.90 2ki8 n GLY 89 Ca 0.06 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.15 3.47 -4.92 1.61 8.00 -1.26 -4.60 116.55 117.70 2ki8 n ASP 90 Ca 0.00 -3.78 -0.26 0.00 0.71 0.00 0.00 54.79 51.46 2ki8 n ASP 90 Cb 0.00 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.43 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 -3.62 5.04 0.78 2.53 -7.23 -1.26 -5.07 120.40 111.57 2ki8 s VAL 91 Ca 0.49 -0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 2ki8 s VAL 91 Cb 0.43 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 33.60 2ki8 s VAL 91 CO 0.01 -0.55 1.09 -2.16 -0.31 0.00 0.00 175.10 173.18 2ki8 s PRO 92 N -4.17 2.23 0.44 4.82 0.04 -1.26 -4.37 135.00 132.73 2ki8 s PRO 92 Ca 0.43 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 2ki8 s PRO 92 Cb -0.10 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2ki8 s PRO 92 CO 0.36 -1.55 1.35 0.21 0.04 0.00 0.00 177.00 177.41 2ki8 s LYS 93 N -5.08 3.75 -1.09 4.56 2.20 -1.26 -2.50 119.74 120.31 2ki8 s LYS 93 Ca 0.60 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 2ki8 s LYS 93 Cb -0.15 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2ki8 s LYS 93 CO 0.55 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2ki8 n GLY 94 N 0.62 0.04 3.42 5.54 0.00 -1.26 -5.02 105.19 108.53 2ki8 n GLY 94 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.43 0.58 0.02 1.61 0.00 -1.04 -2.08 119.30 113.96 2ki8 s MET 95 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 55.69 56.51 2ki8 s MET 95 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 34.83 35.04 2ki8 s MET 95 CO 0.00 -0.10 -0.08 0.96 0.00 0.00 0.00 175.02 175.80 2ki8 s ILE 96 N 0.64 0.58 -0.22 10.11 -4.36 0.12 -4.39 121.20 123.69 2ki8 s ILE 96 Ca -0.03 -0.65 -0.07 0.00 -0.26 0.00 0.00 60.65 59.64 2ki8 s ILE 96 Cb -0.05 -0.56 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 2ki8 s ILE 96 CO -0.04 -0.07 0.05 0.12 0.24 0.00 0.00 174.94 175.24 2ki8 s PHE 97 N -0.68 3.11 -0.08 1.37 5.36 -0.81 -1.61 117.98 124.64 2ki8 s PHE 97 Ca -0.02 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.71 2ki8 s PHE 97 Cb -0.06 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2ki8 s PHE 97 CO 0.00 -0.18 -0.23 0.42 -1.46 0.00 0.00 175.22 173.78 2ki8 s ILE 98 N 1.09 1.95 0.36 3.12 1.01 -0.53 -0.64 121.20 127.56 2ki8 s ILE 98 Ca 0.04 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 2ki8 s ILE 98 Cb -0.14 -1.68 -0.11 0.00 0.01 0.00 0.00 42.46 40.54 2ki8 s ILE 98 CO 0.03 0.54 1.51 -2.84 0.00 0.00 0.00 174.94 174.18 2ki8 s PRO 99 N 0.24 4.11 -0.43 2.79 0.02 -1.26 -1.70 135.00 138.77 2ki8 s PRO 99 Ca -0.14 2.58 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 2ki8 s PRO 99 Cb -0.17 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 2ki8 s PRO 99 CO 0.07 -0.56 2.35 -0.12 -0.33 0.00 0.00 177.00 178.41 2ki8 n MET 100 N 0.87 1.23 -2.20 5.54 1.56 0.10 -4.59 117.12 119.64 2ki8 n MET 100 Ca 0.03 0.21 -0.04 0.00 -0.27 0.00 0.00 57.70 57.62 2ki8 n MET 100 Cb 0.39 -3.05 0.01 0.00 2.15 0.00 0.00 33.22 32.71 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 6.08 1.90 0.23 -5.12 0.00 -1.26 -4.80 105.19 102.22 2ki8 n GLY 101 Ca 0.38 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 45.22 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 0.18 -0.15 1.61 0.13 -1.90 -0.11 132.00 131.76 2ki8 h PRO 102 Ca -0.12 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2ki8 h PRO 102 Cb 0.48 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2ki8 h PRO 102 CO 0.16 0.36 0.07 1.88 -0.23 0.00 0.00 178.00 180.24 2ki8 h TYR 103 N 0.17 0.23 -0.66 1.56 -1.99 -1.92 -2.66 116.97 111.70 2ki8 h TYR 103 Ca 0.03 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.76 2ki8 h TYR 103 Cb 0.41 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.04 2ki8 h TYR 103 CO 0.00 0.28 0.43 0.00 -0.00 0.00 0.00 178.16 178.88 2ki8 h ALA 104 N 0.92 0.84 -0.00 3.88 0.00 -1.67 -2.40 119.26 120.82 2ki8 h ALA 104 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ki8 h ALA 104 Cb 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ki8 h ALA 104 CO -0.01 0.24 0.26 -0.91 0.00 0.00 0.00 179.25 178.83 2ki8 h ASN 105 N 0.87 0.00 0.33 0.00 2.35 -0.69 0.26 115.58 118.70 2ki8 h ASN 105 Ca 0.25 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2ki8 h ASN 105 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2ki8 h ASN 105 CO -0.07 0.00 -0.45 0.24 -1.65 0.00 0.00 177.43 175.50 2ki8 h MET 106 N 0.00 0.15 0.00 0.81 2.86 -1.17 -3.36 114.93 114.22 2ki8 h MET 106 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2ki8 h MET 106 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2ki8 h MET 106 CO -0.00 0.58 0.00 1.33 1.06 0.00 0.00 176.91 179.88 2ki8 n VAL 107 N -3.99 0.00 -3.55 -2.22 0.24 0.39 -2.34 118.33 106.86 2ki8 n VAL 107 Ca -0.02 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.34 61.64 2ki8 n VAL 107 Cb 0.50 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.69 1.95 -0.25 1.34 -4.36 0.64 -4.55 121.20 115.28 2ki8 s ILE 108 Ca 0.00 -1.30 -0.09 0.00 -0.26 0.00 0.00 60.65 58.99 2ki8 s ILE 108 Cb 0.00 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 2ki8 s ILE 108 CO 0.00 0.00 0.13 -0.62 0.24 0.00 0.00 174.94 174.69 2ki8 s ASP 109 N -4.39 5.75 0.00 4.36 2.15 -1.26 -4.85 116.67 118.43 2ki8 s ASP 109 Ca 0.45 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.42 2ki8 s ASP 109 Cb -0.04 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 2ki8 s ASP 109 CO 0.28 0.02 0.46 -0.81 -0.17 0.00 0.00 175.17 174.95 2ki8 n PRO 110 N 4.58 0.80 -0.00 4.34 -0.04 -1.26 -3.09 135.00 140.33 2ki8 n PRO 110 Ca -0.15 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 2ki8 n PRO 110 Cb 0.52 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.00 2.32 -0.06 3.54 7.64 -1.26 -4.72 113.62 121.09 2ki8 n SER 111 Ca 0.00 -0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.48 2ki8 n SER 111 Cb 0.17 1.17 -0.06 0.00 -1.01 0.00 0.00 64.21 64.48 2ki8 n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ki8 h THR 112 N 0.00 1.31 -2.92 0.44 1.03 -1.99 -3.41 112.91 107.37 2ki8 h THR 112 Ca 0.00 -1.74 -0.61 0.00 -0.01 0.00 0.00 66.41 64.05 2ki8 h THR 112 Cb 0.23 1.85 -0.13 0.00 -1.07 0.00 0.00 68.15 69.03 2ki8 h THR 112 CO 0.00 0.55 0.60 -0.62 -0.01 0.00 0.00 175.52 176.04 2ki8 s ASP 113 N -6.81 6.26 0.00 0.00 2.15 -1.26 -4.68 116.67 112.33 2ki8 s ASP 113 Ca -0.12 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.26 2ki8 s ASP 113 Cb 0.08 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2ki8 s ASP 113 CO 0.86 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2ki8 n GLY 114 N 5.22 0.00 0.70 2.66 0.00 -1.26 -5.09 105.19 107.41 2ki8 n GLY 114 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2ki8 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ki8 n THR 115 N -2.08 0.00 -1.91 2.61 -2.24 -1.26 -5.05 114.28 104.35 2ki8 n THR 115 Ca 0.00 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 2ki8 n THR 115 Cb 0.03 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 2ki8 n THR 115 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ki8 s GLY 116 N -1.81 0.34 -0.17 3.38 0.00 -1.26 -4.95 107.32 102.85 2ki8 s GLY 116 Ca 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 2ki8 s GLY 116 CO 0.02 3.52 1.59 -0.29 0.00 0.00 0.00 173.10 177.93 2ki8 s MET 117 N 6.67 3.94 0.38 2.90 0.00 -1.26 -4.90 119.30 127.03 2ki8 s MET 117 Ca 0.80 1.80 0.23 0.00 0.00 0.00 0.00 55.69 58.52 2ki8 s MET 117 Cb -0.19 -3.99 0.38 0.00 0.00 0.00 0.00 34.83 31.03 2ki8 s MET 117 CO 0.28 -1.11 1.58 -1.00 0.00 0.00 0.00 175.02 174.77 2ki8 h PRO 118 N 10.14 0.00 -5.43 4.11 0.13 -2.03 -3.47 132.00 135.45 2ki8 h PRO 118 Ca -0.34 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.37 2ki8 h PRO 118 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 2ki8 h PRO 118 CO 0.99 0.00 -0.77 -0.65 -0.23 0.00 0.00 178.00 177.34 2ki8 s GLN 119 N -3.21 0.98 -0.99 0.86 -0.21 -1.26 -5.08 119.66 110.75 2ki8 s GLN 119 Ca 0.07 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.04 2ki8 s GLN 119 Cb 0.07 -0.90 0.04 0.00 1.00 0.00 0.00 33.01 33.21 2ki8 s GLN 119 CO 0.67 0.18 1.50 -0.06 -2.12 0.00 0.00 175.29 175.46 2ki8 s PHE 120 N -1.91 2.43 -0.02 0.91 0.08 -1.26 -4.95 117.98 113.26 2ki8 s PHE 120 Ca 0.06 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.51 2ki8 s PHE 120 Cb -0.06 -4.62 0.01 0.00 -0.57 0.00 0.00 43.02 37.78 2ki8 s PHE 120 CO 0.03 -1.93 -0.04 0.21 -0.10 0.00 0.00 175.22 173.39 2ki8 s LYS 121 N 5.26 0.50 0.05 0.44 2.47 -1.26 -5.14 119.74 122.06 2ki8 s LYS 121 Ca 0.48 -0.13 0.01 0.00 -1.56 0.00 0.00 55.97 54.77 2ki8 s LYS 121 Cb -0.01 -0.52 -0.00 0.00 -1.46 0.00 0.00 37.83 35.83 2ki8 s LYS 121 CO -0.07 0.04 0.03 0.41 0.16 0.00 0.00 175.35 175.91 2ki8 n GLY 122 N 3.37 3.93 3.65 5.54 0.00 -1.26 -4.69 105.19 115.74 2ki8 n GLY 122 Ca -0.18 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.99 4.93 0.46 1.61 1.01 0.18 -4.72 120.40 121.88 2ki8 s VAL 123 Ca 0.04 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.19 2ki8 s VAL 123 Cb 0.00 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 2ki8 s VAL 123 CO 0.03 0.03 1.12 -0.54 0.00 0.00 0.00 175.10 175.74 2ki8 s LYS 124 N 2.27 3.80 0.00 2.72 1.02 -1.26 0.10 119.74 128.38 2ki8 s LYS 124 Ca 0.33 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.95 2ki8 s LYS 124 Cb -0.16 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2ki8 s LYS 124 CO 0.10 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2ki8 n GLY 125 N 0.29 1.50 3.08 -3.33 0.00 0.71 -4.61 105.19 102.82 2ki8 n GLY 125 Ca 0.08 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.90 0.20 0.02 2.61 -4.23 0.15 -1.08 115.64 114.21 2ki8 s THR 126 Ca 0.00 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2ki8 s THR 126 Cb 0.00 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2ki8 s THR 126 CO 0.00 -0.91 -0.07 0.54 -0.54 0.00 0.00 174.62 173.63 2ki8 s VAL 127 N -3.58 0.55 0.05 2.29 0.11 0.66 -0.84 120.40 119.64 2ki8 s VAL 127 Ca 0.04 -0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 58.26 2ki8 s VAL 127 Cb 0.05 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2ki8 s VAL 127 CO -0.09 -0.12 0.27 -1.83 -3.33 0.00 0.00 175.10 170.00 2ki8 s GLU 128 N -0.91 0.79 0.01 1.54 -1.05 -0.36 -0.66 118.70 118.06 2ki8 s GLU 128 Ca -0.04 -0.56 -0.24 0.00 -0.15 0.00 0.00 54.97 53.98 2ki8 s GLU 128 Cb -0.06 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2ki8 s GLU 128 CO 0.00 -0.25 0.73 0.21 0.95 0.00 0.00 175.26 176.90 2ki8 s LYS 129 N -2.64 4.46 0.17 -4.83 2.20 -1.26 -0.14 119.74 117.70 2ki8 s LYS 129 Ca -0.04 0.98 0.05 0.00 -0.36 0.00 0.00 55.97 56.60 2ki8 s LYS 129 Cb -0.01 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2ki8 s LYS 129 CO -0.04 0.24 -0.09 -0.08 -0.36 0.00 0.00 175.35 175.02 2ki8 s THR 130 N 0.13 1.23 -0.32 3.43 -1.32 -1.10 -4.89 115.64 112.81 2ki8 s THR 130 Ca 0.37 -2.08 0.21 0.00 -1.21 0.00 0.00 61.69 58.99 2ki8 s THR 130 Cb -0.20 -1.97 0.18 0.00 -1.51 0.00 0.00 72.50 69.00 2ki8 s THR 130 CO 0.21 -0.64 1.39 -0.78 -2.21 0.00 0.00 174.62 172.59 2ki8 h ASP 131 N 2.69 0.00 -4.23 8.08 3.58 -1.98 -3.44 116.42 121.12 2ki8 h ASP 131 Ca -0.37 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.55 2ki8 h ASP 131 Cb 1.20 0.00 0.18 0.00 1.72 0.00 0.00 39.33 42.43 2ki8 h ASP 131 CO 0.64 0.13 0.31 -1.61 -2.88 0.00 0.00 179.24 175.83 2ki8 s GLU 132 N -3.18 1.60 0.46 0.28 2.02 -1.26 -5.03 118.70 113.59 2ki8 s GLU 132 Ca 0.04 1.64 -0.02 0.00 0.02 0.00 0.00 54.97 56.64 2ki8 s GLU 132 Cb 0.07 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 2ki8 s GLU 132 CO 0.72 -2.21 0.72 -1.59 0.02 0.00 0.00 175.26 172.92 2ki8 s LYS 133 N -4.32 3.26 0.21 1.61 0.00 -1.26 -4.92 119.74 114.33 2ki8 s LYS 133 Ca 0.70 -0.17 -0.31 0.00 0.00 0.00 0.00 55.97 56.20 2ki8 s LYS 133 Cb -0.26 -2.48 -0.10 0.00 0.00 0.00 0.00 37.83 35.00 2ki8 s LYS 133 CO 0.52 -0.24 1.46 0.08 0.00 0.00 0.00 175.35 177.17 2ki8 s VAL 134 N -2.64 2.76 0.33 1.79 1.01 -1.26 -4.75 120.40 117.64 2ki8 s VAL 134 Ca 0.47 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 2ki8 s VAL 134 Cb -0.10 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 2ki8 s VAL 134 CO 0.41 0.08 1.45 -0.76 0.00 0.00 0.00 175.10 176.28 2ki8 s LEU 135 N 0.17 4.36 0.24 3.92 1.43 -0.67 -5.01 118.68 123.12 2ki8 s LEU 135 Ca 0.62 2.87 -0.20 0.00 -1.03 0.00 0.00 54.13 56.40 2ki8 s LEU 135 Cb -0.41 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.07 2ki8 s LEU 135 CO 0.39 -0.76 0.74 -0.55 0.23 0.00 0.00 176.35 176.39 2ki8 s SER 136 N -0.03 7.05 0.23 2.29 0.15 -1.26 -4.91 113.70 117.22 2ki8 s SER 136 Ca 0.55 1.43 -0.07 0.00 0.70 0.00 0.00 55.95 58.55 2ki8 s SER 136 Cb -0.44 -2.42 0.40 0.00 -1.71 0.00 0.00 66.02 61.85 2ki8 s SER 136 CO 0.54 0.01 1.66 0.58 1.20 0.00 0.00 173.24 177.24 2ki8 h VAL 137 N 2.68 0.46 -0.44 4.45 2.07 -1.99 0.31 116.25 123.78 2ki8 h VAL 137 Ca -0.48 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 2ki8 h VAL 137 Cb 1.19 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2ki8 h VAL 137 CO 0.65 0.03 -0.15 0.50 0.02 0.00 0.00 177.57 178.62 2ki8 h LYS 138 N 0.17 0.87 -0.31 1.57 3.64 -2.00 -2.53 116.57 117.99 2ki8 h LYS 138 Ca 0.39 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2ki8 h LYS 138 Cb 0.66 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2ki8 h LYS 138 CO -0.56 1.00 0.08 1.49 -2.27 0.00 0.00 179.45 179.19 2ki8 h GLU 139 N 0.70 0.44 -0.25 1.90 4.81 -1.42 -0.98 114.58 119.78 2ki8 h GLU 139 Ca 0.11 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2ki8 h GLU 139 Cb 0.70 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2ki8 h GLU 139 CO 0.05 0.40 -0.21 1.25 -0.73 0.00 0.00 179.01 179.77 2ki8 h LEU 140 N 0.44 0.46 -0.85 1.64 6.46 -0.27 -0.91 115.31 122.27 2ki8 h LEU 140 Ca 0.11 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2ki8 h LEU 140 Cb 0.15 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2ki8 h LEU 140 CO -0.01 0.68 0.56 -0.07 -0.62 0.00 0.00 178.44 178.98 2ki8 h LEU 141 N 0.41 0.98 -0.91 2.25 3.38 -0.76 0.44 115.31 121.10 2ki8 h LEU 141 Ca 0.07 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2ki8 h LEU 141 Cb 0.60 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2ki8 h LEU 141 CO 0.04 0.71 -0.15 -0.33 0.09 0.00 0.00 178.44 178.80 2ki8 h GLU 142 N 1.15 0.63 -0.38 1.13 5.08 -1.15 -0.98 114.58 120.06 2ki8 h GLU 142 Ca 0.31 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2ki8 h GLU 142 Cb -0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2ki8 h GLU 142 CO -0.07 0.76 0.03 0.00 -1.00 0.00 0.00 179.01 178.73 2ki8 h ALA 143 N 1.26 0.51 0.00 3.43 0.00 -0.10 -2.71 119.26 121.65 2ki8 h ALA 143 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ki8 h ALA 143 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ki8 h ALA 143 CO 0.04 0.25 0.00 0.44 0.00 0.00 0.00 179.25 179.98 2ki8 n ILE 144 N -4.50 0.21 -1.97 0.00 -6.64 0.04 -4.93 119.36 101.56 2ki8 n ILE 144 Ca -0.01 0.05 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 2ki8 n ILE 144 Cb 0.26 -0.61 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 1.09 0.92 0.00 3.28 0.00 -0.88 -5.09 105.19 104.51 2ki8 n GLY 145 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2ki8 n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06