#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpi n ALA 2 N 0.00 1.72 -2.78 -5.12 0.00 -1.26 -4.73 120.51 108.34 3kpi n ALA 2 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 3kpi n ALA 2 Cb 0.00 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.03 3kpi n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kpi s HIS 3 N -1.00 3.25 -0.14 0.00 5.65 -1.26 -3.76 115.29 118.03 3kpi s HIS 3 Ca 0.56 0.05 -0.03 0.00 0.25 0.00 0.00 55.06 55.89 3kpi s HIS 3 Cb -0.54 -2.20 -0.03 0.00 -1.18 0.00 0.00 32.58 28.64 3kpi s HIS 3 CO 0.62 0.02 -0.06 0.08 -0.65 0.00 0.00 174.74 174.74 3kpi s VAL 4 N 0.93 3.72 -0.11 0.89 1.01 -0.12 -0.92 120.40 125.80 3kpi s VAL 4 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3kpi s VAL 4 Cb -0.13 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3kpi s VAL 4 CO 0.03 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 3kpi s VAL 5 N 0.24 2.35 -0.21 2.92 1.01 -0.30 -1.00 120.40 125.41 3kpi s VAL 5 Ca -0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3kpi s VAL 5 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3kpi s VAL 5 CO 0.03 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 3kpi s ILE 6 N 0.39 4.14 -0.47 2.22 -1.09 0.56 0.01 121.20 126.97 3kpi s ILE 6 Ca -0.15 -0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 57.88 3kpi s ILE 6 Cb -0.17 -2.89 0.09 0.00 -1.58 0.00 0.00 42.46 37.90 3kpi s ILE 6 CO 0.07 0.41 0.38 -0.22 -1.23 0.00 0.00 174.94 174.35 3kpi s LEU 7 N 1.11 5.63 0.00 2.97 0.20 -0.20 -1.44 118.68 126.95 3kpi s LEU 7 Ca 0.03 -1.47 0.00 0.00 0.69 0.00 0.00 54.13 53.39 3kpi s LEU 7 Cb -0.14 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.48 3kpi s LEU 7 CO 0.02 -0.66 0.00 0.61 -0.29 0.00 0.00 176.35 176.03 3kpi n GLY 8 N 5.14 2.95 2.76 7.98 0.00 0.11 -0.61 105.19 123.52 3kpi n GLY 8 Ca -0.12 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3kpi n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi n ALA 9 N 0.89 5.19 -2.62 4.61 0.00 -1.26 -3.77 120.51 123.55 3kpi n ALA 9 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.74 3kpi n ALA 9 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3kpi n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpi n GLY 10 N 0.27 3.86 0.37 0.00 0.00 -1.26 -4.57 105.19 103.86 3kpi n GLY 10 Ca 0.36 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.58 3kpi n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kpi h THR 11 N 0.00 1.06 0.13 2.61 2.02 -1.93 -2.10 112.91 114.70 3kpi h THR 11 Ca 0.00 -0.38 -0.32 0.00 0.77 0.00 0.00 66.41 66.47 3kpi h THR 11 Cb 0.00 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 3kpi h THR 11 CO 0.00 0.20 -1.69 1.23 0.37 0.00 0.00 175.52 175.63 3kpi h GLY 12 N 1.12 0.31 1.01 2.16 0.00 -1.92 -3.40 103.07 102.35 3kpi h GLY 12 Ca 0.43 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3kpi h GLY 12 CO -0.18 0.69 -0.30 -1.33 0.00 0.00 0.00 176.54 175.41 3kpi h GLY 13 N 0.49 0.84 0.92 4.60 0.00 -1.60 -1.51 103.07 106.80 3kpi h GLY 13 Ca -0.36 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.09 3kpi h GLY 13 CO 0.08 0.77 -0.25 -0.33 0.00 0.00 0.00 176.54 176.80 3kpi h MET 14 N 0.54 -0.68 -0.82 4.80 2.86 -1.52 -0.38 114.93 119.72 3kpi h MET 14 Ca 0.05 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.87 3kpi h MET 14 Cb 0.88 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 3kpi h MET 14 CO 0.08 -0.41 0.53 -1.35 1.06 0.00 0.00 176.91 176.82 3kpi h PRO 15 N -0.80 0.59 -0.33 -0.22 0.11 -1.76 -1.71 132.00 127.88 3kpi h PRO 15 Ca -0.07 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 3kpi h PRO 15 Cb 0.58 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3kpi h PRO 15 CO 0.12 0.39 -0.18 0.00 -0.21 0.00 0.00 178.00 178.12 3kpi h ALA 16 N 1.62 1.08 -0.27 -0.75 0.00 -0.62 0.66 119.26 120.97 3kpi h ALA 16 Ca 0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kpi h ALA 16 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kpi h ALA 16 CO -0.16 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 3kpi h ALA 17 N 1.27 0.37 -0.46 0.00 0.00 -0.18 0.83 119.26 121.09 3kpi h ALA 17 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kpi h ALA 17 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kpi h ALA 17 CO 0.04 0.14 0.20 1.88 0.00 0.00 0.00 179.25 181.51 3kpi h TYR 18 N 0.27 0.68 -0.45 0.00 0.05 -1.06 -1.84 116.97 114.62 3kpi h TYR 18 Ca 0.07 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 3kpi h TYR 18 Cb 0.46 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3kpi h TYR 18 CO 0.04 0.56 -0.14 0.93 -1.05 0.00 0.00 178.16 178.50 3kpi h GLU 19 N 0.60 0.84 -0.34 4.88 5.08 -0.76 -1.26 114.58 123.61 3kpi h GLU 19 Ca 0.15 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3kpi h GLU 19 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kpi h GLU 19 CO -0.02 0.93 0.07 1.98 -1.00 0.00 0.00 179.01 180.97 3kpi h MET 20 N 0.75 0.56 -0.38 2.33 4.05 -0.69 -0.57 114.93 120.98 3kpi h MET 20 Ca 0.12 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 3kpi h MET 20 Cb 0.65 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 3kpi h MET 20 CO 0.05 0.63 -0.03 -0.22 0.23 0.00 0.00 176.91 177.56 3kpi h LYS 21 N 0.40 0.70 -0.76 0.39 1.63 -1.20 -1.56 116.57 116.17 3kpi h LYS 21 Ca 0.10 -0.24 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3kpi h LYS 21 Cb 0.33 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3kpi h LYS 21 CO 0.00 0.82 0.49 1.49 -3.45 0.00 0.00 179.45 178.80 3kpi h GLU 22 N 0.52 0.95 0.00 1.90 4.57 -1.18 -0.35 114.58 120.99 3kpi h GLU 22 Ca 0.10 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3kpi h GLU 22 Cb 0.52 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3kpi h GLU 22 CO 0.03 0.63 -0.51 0.00 -1.18 0.00 0.00 179.01 177.97 3kpi h ALA 23 N 1.30 1.02 0.00 2.92 0.00 -0.84 -3.32 119.26 120.34 3kpi h ALA 23 Ca 0.29 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 3kpi h ALA 23 Cb -0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3kpi h ALA 23 CO -0.09 0.64 -2.31 1.28 0.00 0.00 0.00 179.25 178.78 3kpi n LEU 24 N -3.74 0.00 0.00 0.00 4.32 -0.61 -5.08 117.00 111.89 3kpi n LEU 24 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3kpi n LEU 24 Cb 0.56 0.40 0.00 0.00 -1.62 0.00 0.00 43.42 42.76 3kpi n LEU 24 CO 0.40 0.40 0.00 0.61 -1.22 0.00 0.00 177.39 177.58 3kpi n GLY 25 N 1.66 -1.78 0.25 -0.72 0.00 -0.15 -4.38 105.19 100.07 3kpi n GLY 25 Ca -0.27 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.55 3kpi n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kpi h SER 26 N 0.00 0.00 1.00 1.61 4.64 -1.96 -3.09 113.55 115.75 3kpi h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kpi h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kpi h SER 26 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3kpi n GLY 27 N 0.30 -1.43 3.35 -0.77 0.00 -1.26 -4.73 105.19 100.63 3kpi n GLY 27 Ca 0.01 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3kpi n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kpi s HIS 28 N -3.23 2.56 0.10 1.61 4.02 -1.17 -4.78 115.29 114.40 3kpi s HIS 28 Ca 0.07 -0.53 -0.30 0.00 1.02 0.00 0.00 55.06 55.32 3kpi s HIS 28 Cb 0.11 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.58 29.97 3kpi s HIS 28 CO 0.47 -0.09 1.16 -2.00 1.02 0.00 0.00 174.74 175.30 3kpi s GLU 29 N -0.28 4.48 -0.17 1.40 2.12 -1.25 -4.84 118.70 120.18 3kpi s GLU 29 Ca 0.01 1.74 0.01 0.00 0.36 0.00 0.00 54.97 57.09 3kpi s GLU 29 Cb -0.13 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.95 3kpi s GLU 29 CO 0.03 -0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 174.48 3kpi s VAL 30 N 0.64 2.01 -0.12 3.70 1.01 -1.26 -0.94 120.40 125.44 3kpi s VAL 30 Ca 0.55 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3kpi s VAL 30 Cb -0.29 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3kpi s VAL 30 CO 0.31 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.91 3kpi s THR 31 N 1.17 2.90 -0.22 3.92 2.01 -0.17 -1.03 115.64 124.23 3kpi s THR 31 Ca 0.02 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3kpi s THR 31 Cb -0.14 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 3kpi s THR 31 CO -0.10 0.53 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.13 3kpi s LEU 32 N 0.27 3.06 -0.16 4.42 2.96 0.13 -0.32 118.68 129.04 3kpi s LEU 32 Ca -0.11 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3kpi s LEU 32 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kpi s LEU 32 CO 0.06 -0.01 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.33 3kpi s ILE 33 N 1.45 2.99 0.01 6.68 1.01 -0.52 -0.31 121.20 132.50 3kpi s ILE 33 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3kpi s ILE 33 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3kpi s ILE 33 CO -0.01 0.50 0.05 -0.55 0.00 0.00 0.00 174.94 174.92 3kpi s SER 34 N 0.82 0.13 0.32 3.58 0.15 -0.42 0.06 113.70 118.34 3kpi s SER 34 Ca -0.04 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3kpi s SER 34 Cb -0.15 0.15 0.57 0.00 -1.71 0.00 0.00 66.02 64.87 3kpi s SER 34 CO 0.01 -0.31 1.95 0.00 1.20 0.00 0.00 173.24 176.09 3kpi h ALA 35 N 4.61 1.53 -2.79 5.45 0.00 -1.85 0.37 119.26 126.58 3kpi h ALA 35 Ca -0.31 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 53.97 3kpi h ALA 35 Cb 1.20 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 3kpi h ALA 35 CO 0.41 0.38 -0.63 -0.80 0.00 0.00 0.00 179.25 178.61 3kpi s ASN 36 N -6.21 4.96 0.00 0.00 0.02 -1.26 -4.40 114.94 108.05 3kpi s ASN 36 Ca -0.11 -0.34 0.16 0.00 -1.02 0.00 0.00 52.86 51.55 3kpi s ASN 36 Cb 0.19 -1.12 0.54 0.00 0.02 0.00 0.00 41.25 40.87 3kpi s ASN 36 CO 0.79 0.08 1.41 -0.90 0.02 0.00 0.00 177.10 178.49 3kpi n ASP 37 N -0.23 1.72 -4.25 -1.22 5.68 -1.26 -4.81 116.55 112.18 3kpi n ASP 37 Ca -0.09 -1.85 -0.21 0.00 -0.50 0.00 0.00 54.79 52.14 3kpi n ASP 37 Cb 0.55 -0.17 -0.12 0.00 -1.14 0.00 0.00 41.12 40.25 3kpi n ASP 37 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3kpi s TYR 38 N -1.67 1.56 0.18 2.11 -0.85 -1.26 -0.86 117.35 116.56 3kpi s TYR 38 Ca 0.28 -0.46 -0.12 0.00 -0.52 0.00 0.00 57.07 56.24 3kpi s TYR 38 Cb 0.15 -0.84 -0.07 0.00 0.38 0.00 0.00 41.96 41.58 3kpi s TYR 38 CO 0.21 0.17 0.54 0.12 -1.52 0.00 0.00 175.55 175.07 3kpi s PHE 39 N -1.52 3.52 -0.01 -3.49 5.36 0.78 -4.86 117.98 117.76 3kpi s PHE 39 Ca 0.06 0.96 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 3kpi s PHE 39 Cb -0.08 -2.30 -0.00 0.00 -0.34 0.00 0.00 43.02 40.29 3kpi s PHE 39 CO 0.04 0.36 -0.07 1.14 -1.46 0.00 0.00 175.22 175.23 3kpi s GLN 40 N -2.34 0.71 -0.78 10.12 -2.07 -1.26 -1.70 119.66 122.33 3kpi s GLN 40 Ca 0.42 -0.26 -0.22 0.00 -1.82 0.00 0.00 55.36 53.48 3kpi s GLN 40 Cb -0.13 -0.68 0.08 0.00 -1.09 0.00 0.00 33.01 31.19 3kpi s GLN 40 CO 0.20 0.12 1.10 0.12 -1.32 0.00 0.00 175.29 175.51 3kpi s PHE 41 N 0.04 2.74 0.24 9.60 5.36 0.42 -4.86 117.98 131.52 3kpi s PHE 41 Ca -0.00 -0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 55.15 3kpi s PHE 41 Cb -0.06 -4.37 0.42 0.00 -0.34 0.00 0.00 43.02 38.67 3kpi s PHE 41 CO -0.00 -1.68 1.77 0.28 -1.46 0.00 0.00 175.22 174.13 3kpi h VAL 42 N 6.03 0.80 0.00 3.12 2.07 -1.91 -1.70 116.25 124.67 3kpi h VAL 42 Ca -0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kpi h VAL 42 Cb 1.05 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3kpi h VAL 42 CO 1.20 0.11 0.00 -2.65 0.02 0.00 0.00 177.57 176.25 3kpi n PRO 43 N -4.86 0.04 0.00 1.57 -0.02 -1.26 -0.72 135.00 129.76 3kpi n PRO 43 Ca 0.14 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3kpi n PRO 43 Cb 0.34 -1.64 0.30 0.00 -0.02 0.00 0.00 33.50 32.48 3kpi n PRO 43 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kpi n SER 44 N -1.73 1.29 -0.23 2.55 7.64 -0.64 -4.38 113.62 118.11 3kpi n SER 44 Ca -0.00 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.81 3kpi n SER 44 Cb 0.03 0.20 0.24 0.00 -1.01 0.00 0.00 64.21 63.66 3kpi n SER 44 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kpi h ASN 45 N 1.57 0.89 -0.94 6.43 2.35 -1.06 -2.40 115.58 122.42 3kpi h ASN 45 Ca 0.00 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3kpi h ASN 45 Cb 0.56 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3kpi h ASN 45 CO 0.00 0.64 0.62 -0.65 -1.65 0.00 0.00 177.43 176.39 3kpi h PRO 46 N 1.04 1.22 -0.46 0.81 0.11 -1.77 0.90 132.00 133.85 3kpi h PRO 46 Ca 0.29 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 3kpi h PRO 46 Cb -0.11 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.70 3kpi h PRO 46 CO -0.06 0.80 0.12 -1.49 -0.21 0.00 0.00 178.00 177.16 3kpi h TRP 47 N 1.25 0.69 -0.60 0.65 4.06 -1.74 -1.42 115.95 118.85 3kpi h TRP 47 Ca 0.35 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 61.18 3kpi h TRP 47 Cb -0.12 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 27.81 3kpi h TRP 47 CO -0.00 0.59 0.11 0.28 -3.56 0.00 0.00 178.44 175.86 3kpi h VAL 48 N 0.66 1.25 0.00 1.49 2.07 -0.68 0.44 116.25 121.48 3kpi h VAL 48 Ca 0.15 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kpi h VAL 48 Cb 0.24 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3kpi h VAL 48 CO -0.00 0.35 0.00 1.23 0.02 0.00 0.00 177.57 179.17 3kpi h GLY 49 N 1.02 0.00 -0.48 2.17 0.00 0.21 -1.44 103.07 104.55 3kpi h GLY 49 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kpi h GLY 49 CO 0.01 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.10 3kpi n VAL 50 N -2.56 0.71 -1.05 4.60 3.14 -1.02 -3.09 118.33 119.06 3kpi n VAL 50 Ca -0.01 -0.85 -0.02 0.00 -2.96 0.00 0.00 64.34 60.50 3kpi n VAL 50 Cb 0.11 0.67 -0.01 0.00 -1.06 0.00 0.00 33.84 33.55 3kpi n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kpi n GLY 51 N 0.02 0.52 0.04 7.55 0.00 -0.54 -4.91 105.19 107.87 3kpi n GLY 51 Ca 0.04 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3kpi n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kpi n TRP 52 N -2.90 0.35 -3.99 1.61 7.02 0.10 -4.86 117.44 114.77 3kpi n TRP 52 Ca -0.02 0.10 -0.08 0.00 -1.02 0.00 0.00 57.50 56.48 3kpi n TRP 52 Cb 0.08 -0.55 -0.10 0.00 -2.42 0.00 0.00 31.31 28.32 3kpi n TRP 52 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3kpi s LYS 53 N -3.08 0.56 0.14 -0.99 1.02 -1.13 -4.93 119.74 111.33 3kpi s LYS 53 Ca 0.10 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.23 3kpi s LYS 53 Cb 0.15 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.63 3kpi s LYS 53 CO 0.66 -0.12 0.09 -1.21 -0.92 0.00 0.00 175.35 173.85 3kpi s GLU 54 N -2.93 2.79 0.26 1.68 0.41 -1.26 -4.22 118.70 115.43 3kpi s GLU 54 Ca -0.02 -0.86 -0.11 0.00 -0.41 0.00 0.00 54.97 53.57 3kpi s GLU 54 Cb 0.01 -2.61 0.38 0.00 -1.78 0.00 0.00 34.13 30.13 3kpi s GLU 54 CO -0.06 0.50 1.57 -0.09 -0.49 0.00 0.00 175.26 176.69 3kpi h ARG 55 N 2.73 -0.01 0.00 1.61 2.43 -1.95 0.06 114.38 119.26 3kpi h ARG 55 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3kpi h ARG 55 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3kpi h ARG 55 CO 0.63 -0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.83 3kpi n ASP 56 N -5.57 0.00 0.11 -3.80 8.00 -1.26 -0.92 116.55 113.10 3kpi n ASP 56 Ca 0.14 -1.06 0.10 0.00 0.71 0.00 0.00 54.79 54.67 3kpi n ASP 56 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 3kpi n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kpi h ASP 57 N 0.00 0.00 0.00 -2.24 3.32 -1.38 -3.41 116.42 112.72 3kpi h ASP 57 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kpi h ASP 57 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kpi h ASP 57 CO 0.00 0.10 0.00 2.30 -1.72 0.00 0.00 179.24 179.92 3kpi n ILE 58 N -2.77 0.14 -4.04 0.35 -5.35 -0.10 -5.03 119.36 102.56 3kpi n ILE 58 Ca -0.01 -0.34 -0.12 0.00 -0.27 0.00 0.00 62.75 62.01 3kpi n ILE 58 Cb 0.60 1.27 -0.12 0.00 -1.74 0.00 0.00 39.64 39.65 3kpi n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi s ALA 59 N -0.14 0.40 -0.00 -1.28 0.00 -0.63 -0.44 121.76 119.67 3kpi s ALA 59 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 3kpi s ALA 59 Cb 0.00 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.23 3kpi s ALA 59 CO 0.00 -0.06 0.48 -0.59 0.00 0.00 0.00 175.76 175.59 3kpi s PHE 60 N -1.27 -0.39 0.20 0.00 -0.71 -0.69 -4.69 117.98 110.44 3kpi s PHE 60 Ca -0.11 0.55 -0.32 0.00 -1.04 0.00 0.00 56.93 56.01 3kpi s PHE 60 Cb -0.09 0.26 -0.12 0.00 -1.21 0.00 0.00 43.02 41.86 3kpi s PHE 60 CO -0.00 -0.54 1.72 -2.30 -1.34 0.00 0.00 175.22 172.75 3kpi n PRO 61 N 0.84 2.74 0.10 1.99 -0.02 -1.26 -0.15 135.00 139.24 3kpi n PRO 61 Ca -0.20 0.99 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3kpi n PRO 61 Cb 0.58 -2.83 -0.12 0.00 -0.02 0.00 0.00 33.50 31.11 3kpi n PRO 61 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kpi h ILE 62 N 3.79 1.36 -0.28 4.25 2.04 -1.33 -3.43 117.51 123.92 3kpi h ILE 62 Ca -0.43 -2.68 0.04 0.00 1.00 0.00 0.00 64.86 62.79 3kpi h ILE 62 Cb 1.21 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 40.01 3kpi h ILE 62 CO 0.95 0.80 -0.49 -0.09 0.00 0.00 0.00 178.15 179.33 3kpi h ARG 63 N 0.19 -0.39 -0.78 2.37 2.43 -1.93 -1.07 114.38 115.21 3kpi h ARG 63 Ca -0.17 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3kpi h ARG 63 Cb 1.93 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 31.52 3kpi h ARG 63 CO 0.22 -0.26 0.51 1.25 -1.51 0.00 0.00 179.97 180.18 3kpi h HIS 64 N -0.40 0.83 -0.08 2.20 2.76 -1.98 -1.23 115.15 117.24 3kpi h HIS 64 Ca 0.05 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.11 3kpi h HIS 64 Cb 0.55 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3kpi h HIS 64 CO -0.67 0.43 -0.56 1.88 -1.30 0.00 0.00 177.93 177.71 3kpi h TYR 65 N 0.81 0.32 0.05 5.26 0.05 -1.47 -2.51 116.97 119.48 3kpi h TYR 65 Ca 0.34 -0.11 -0.33 0.00 0.05 0.00 0.00 58.73 58.67 3kpi h TYR 65 Cb 0.28 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 3kpi h TYR 65 CO -0.00 0.76 -1.92 1.33 -1.05 0.00 0.00 178.16 177.28 3kpi n VAL 66 N -3.91 1.65 -0.28 -2.88 0.24 -1.05 -3.99 118.33 108.10 3kpi n VAL 66 Ca -0.02 -0.74 -0.05 0.00 -2.04 0.00 0.00 64.34 61.49 3kpi n VAL 66 Cb 0.59 -1.26 0.06 0.00 -1.47 0.00 0.00 33.84 31.76 3kpi n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kpi h GLU 67 N 0.03 1.09 0.00 7.34 5.08 -1.28 -0.57 114.58 126.27 3kpi h GLU 67 Ca -0.38 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3kpi h GLU 67 Cb 2.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3kpi h GLU 67 CO 0.07 0.83 0.00 2.89 -1.00 0.00 0.00 179.01 181.79 3kpi n ARG 68 N -4.41 0.07 -0.07 2.33 1.85 -0.95 -0.44 116.66 115.04 3kpi n ARG 68 Ca 0.07 0.25 0.07 0.00 -1.00 0.00 0.00 57.85 57.24 3kpi n ARG 68 Cb 0.11 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.12 3kpi n ARG 68 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3kpi n LYS 69 N -1.31 1.49 -0.25 2.89 3.00 -0.29 -4.95 118.16 118.74 3kpi n LYS 69 Ca 0.02 -1.57 0.00 0.00 -0.00 0.00 0.00 58.31 56.76 3kpi n LYS 69 Cb 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 33.79 3kpi n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kpi n GLY 70 N 0.74 0.68 3.74 3.14 0.00 0.42 -4.92 105.19 109.00 3kpi n GLY 70 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3kpi n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpi s ILE 71 N -2.38 4.90 -0.08 -0.61 1.01 -0.79 -4.68 121.20 118.58 3kpi s ILE 71 Ca 0.00 1.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.79 3kpi s ILE 71 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3kpi s ILE 71 CO 0.00 0.36 0.80 -1.00 0.00 0.00 0.00 174.94 175.10 3kpi s HIS 72 N 0.13 3.56 -0.11 3.97 3.76 -0.20 -3.61 115.29 122.79 3kpi s HIS 72 Ca 0.35 1.36 0.01 0.00 -0.15 0.00 0.00 55.06 56.62 3kpi s HIS 72 Cb -0.19 -2.93 -0.02 0.00 1.11 0.00 0.00 32.58 30.55 3kpi s HIS 72 CO 0.19 -0.02 -0.13 0.12 -0.85 0.00 0.00 174.74 174.05 3kpi s PHE 73 N 1.18 2.80 -0.25 1.40 5.36 -1.26 0.22 117.98 127.44 3kpi s PHE 73 Ca 0.41 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 3kpi s PHE 73 Cb -0.18 -1.80 0.07 0.00 -0.34 0.00 0.00 43.02 40.77 3kpi s PHE 73 CO 0.19 -0.09 -0.05 0.42 -1.46 0.00 0.00 175.22 174.23 3kpi s ILE 74 N 0.07 1.70 -1.32 3.12 1.01 0.57 -4.96 121.20 121.38 3kpi s ILE 74 Ca -0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.04 3kpi s ILE 74 Cb -0.14 -1.97 0.10 0.00 0.01 0.00 0.00 42.46 40.46 3kpi s ILE 74 CO 0.04 -0.16 1.81 0.00 0.00 0.00 0.00 174.94 176.64 3kpi n ALA 75 N 4.59 4.41 -3.30 9.38 0.00 -1.26 -1.30 120.51 133.04 3kpi n ALA 75 Ca -0.10 -4.03 -0.13 0.00 0.00 0.00 0.00 53.44 49.17 3kpi n ALA 75 Cb 0.43 -3.36 -0.09 0.00 0.00 0.00 0.00 19.45 16.43 3kpi n ALA 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kpi s GLN 76 N 2.73 0.57 0.22 0.00 2.00 0.13 -4.83 119.66 120.47 3kpi s GLN 76 Ca 0.47 0.33 -0.27 0.00 -2.00 0.00 0.00 55.36 53.90 3kpi s GLN 76 Cb 0.06 0.27 -0.09 0.00 0.80 0.00 0.00 33.01 34.05 3kpi s GLN 76 CO 0.01 -0.11 0.85 0.45 -0.50 0.00 0.00 175.29 175.99 3kpi s SER 77 N -0.31 7.45 -0.10 6.67 0.15 -1.26 -3.51 113.70 122.78 3kpi s SER 77 Ca -0.05 1.76 -0.30 0.00 0.70 0.00 0.00 55.95 58.07 3kpi s SER 77 Cb -0.03 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3kpi s SER 77 CO 0.02 0.14 1.05 0.00 1.20 0.00 0.00 173.24 175.65 3kpi s ALA 78 N -1.25 3.44 -0.09 5.45 0.00 -1.26 -0.70 121.76 127.35 3kpi s ALA 78 Ca 0.40 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.86 3kpi s ALA 78 Cb -0.23 -3.46 -0.24 0.00 0.00 0.00 0.00 23.12 19.19 3kpi s ALA 78 CO 0.28 -0.67 0.48 0.39 0.00 0.00 0.00 175.76 176.24 3kpi n GLU 79 N 5.14 0.67 -3.78 0.00 -0.58 0.94 -4.64 120.64 118.39 3kpi n GLU 79 Ca 0.09 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.94 3kpi n GLU 79 Cb 0.48 -1.73 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 3kpi n GLU 79 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpi s GLN 80 N -2.57 0.51 -0.16 3.49 0.74 -1.00 -4.48 119.66 116.19 3kpi s GLN 80 Ca -0.10 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.38 3kpi s GLN 80 Cb 0.07 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.44 3kpi s GLN 80 CO 0.80 -0.11 -0.17 0.42 -0.55 0.00 0.00 175.29 175.68 3kpi s ILE 81 N -0.65 1.81 -0.51 -2.34 1.01 -1.26 -0.54 121.20 118.72 3kpi s ILE 81 Ca -0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3kpi s ILE 81 Cb -0.04 -1.66 0.13 0.00 0.01 0.00 0.00 42.46 40.90 3kpi s ILE 81 CO 0.02 0.50 0.41 -0.62 0.00 0.00 0.00 174.94 175.25 3kpi s ASP 82 N 1.35 5.87 0.26 3.58 -1.08 -0.18 -4.75 116.67 121.72 3kpi s ASP 82 Ca 0.04 -1.93 0.12 0.00 -0.52 0.00 0.00 52.55 50.26 3kpi s ASP 82 Cb -0.13 -2.07 0.29 0.00 -1.46 0.00 0.00 42.92 39.54 3kpi s ASP 82 CO -0.11 -0.73 1.56 0.00 0.52 0.00 0.00 175.17 176.41 3kpi h ALA 83 N 8.53 0.84 -0.09 3.66 0.00 -1.96 0.34 119.26 130.57 3kpi h ALA 83 Ca -0.22 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3kpi h ALA 83 Cb 1.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kpi h ALA 83 CO 0.91 0.80 0.01 0.93 0.00 0.00 0.00 179.25 181.90 3kpi h GLU 84 N 0.00 0.15 -0.00 0.00 4.39 -1.96 -3.13 114.58 114.03 3kpi h GLU 84 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3kpi h GLU 84 Cb 1.21 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3kpi h GLU 84 CO 0.08 0.37 -0.22 0.00 -1.16 0.00 0.00 179.01 178.08 3kpi n ALA 85 N -2.26 2.94 -3.56 3.43 0.00 -1.16 -4.95 120.51 114.95 3kpi n ALA 85 Ca -0.06 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 3kpi n ALA 85 Cb 0.17 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.40 3kpi n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kpi n GLN 86 N -1.14 -6.32 -4.32 0.00 6.02 0.11 -4.88 117.38 106.85 3kpi n GLN 86 Ca 0.10 0.75 -0.17 0.00 -0.01 0.00 0.00 57.00 57.67 3kpi n GLN 86 Cb 0.31 -5.70 -0.10 0.00 1.02 0.00 0.00 30.24 25.78 3kpi n GLN 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3kpi s ASN 87 N -3.15 2.24 -0.16 1.08 2.20 -0.91 -1.33 114.94 114.92 3kpi s ASN 87 Ca 0.54 -1.06 -0.00 0.00 -0.94 0.00 0.00 52.86 51.40 3kpi s ASN 87 Cb -0.25 -0.08 -0.00 0.00 -2.00 0.00 0.00 41.25 38.91 3kpi s ASN 87 CO 0.67 -0.28 -0.14 -0.63 -2.94 0.00 0.00 177.10 173.78 3kpi s ILE 88 N -3.15 2.74 -0.22 0.54 1.01 0.31 -1.01 121.20 121.42 3kpi s ILE 88 Ca 0.22 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 3kpi s ILE 88 Cb 0.02 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3kpi s ILE 88 CO 0.06 0.51 0.49 -0.89 0.00 0.00 0.00 174.94 175.10 3kpi s THR 89 N 0.88 5.12 0.54 2.92 2.01 0.30 -0.95 115.64 126.46 3kpi s THR 89 Ca -0.04 0.87 0.00 0.00 0.31 0.00 0.00 61.69 62.84 3kpi s THR 89 Cb -0.15 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.58 3kpi s THR 89 CO -0.01 0.17 0.77 -0.76 -0.69 0.00 0.00 174.62 174.11 3kpi s LEU 90 N 1.73 3.32 0.39 4.42 1.43 0.01 -0.04 118.68 129.94 3kpi s LEU 90 Ca 0.22 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.54 3kpi s LEU 90 Cb -0.15 -2.97 0.90 0.00 0.03 0.00 0.00 46.19 43.99 3kpi s LEU 90 CO 0.09 -1.08 1.92 0.00 0.23 0.00 0.00 176.35 177.52 3kpi h ALA 91 N 0.09 1.91 -0.18 4.21 0.00 -1.22 0.50 119.26 124.58 3kpi h ALA 91 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kpi h ALA 91 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kpi h ALA 91 CO 0.54 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 3kpi n ASP 92 N -4.50 1.15 0.00 0.00 5.75 -1.26 -4.90 116.55 112.79 3kpi n ASP 92 Ca 0.14 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3kpi n ASP 92 Cb 0.42 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3kpi n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kpi n GLY 93 N 0.92 1.50 3.74 6.12 0.00 0.17 -5.04 105.19 112.60 3kpi n GLY 93 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3kpi n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kpi s ASN 94 N -3.24 4.23 0.09 1.61 -0.87 -1.26 -4.75 114.94 110.76 3kpi s ASN 94 Ca 0.00 2.08 0.07 0.00 -1.57 0.00 0.00 52.86 53.44 3kpi s ASN 94 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 3kpi s ASN 94 CO 0.00 -2.22 -0.18 0.42 -2.57 0.00 0.00 177.10 172.54 3kpi s THR 95 N -2.47 1.48 -0.14 1.60 -4.23 -1.26 -0.81 115.64 109.81 3kpi s THR 95 Ca 0.67 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 3kpi s THR 95 Cb -0.22 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3kpi s THR 95 CO 0.50 -0.10 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.59 3kpi s VAL 96 N -1.17 2.28 0.23 2.29 1.01 -0.13 -4.93 120.40 119.99 3kpi s VAL 96 Ca 0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 3kpi s VAL 96 Cb -0.10 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 3kpi s VAL 96 CO 0.03 0.54 0.73 -2.28 0.00 0.00 0.00 175.10 174.12 3kpi s HIS 97 N 0.76 3.62 0.11 5.22 2.46 -1.26 -0.53 115.29 125.67 3kpi s HIS 97 Ca -0.08 1.38 0.03 0.00 0.47 0.00 0.00 55.06 56.86 3kpi s HIS 97 Cb -0.16 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.64 3kpi s HIS 97 CO -0.00 0.31 -0.09 1.52 -2.47 0.00 0.00 174.74 174.01 3kpi s TYR 98 N -1.58 1.05 -0.20 3.88 -0.85 -0.44 -4.93 117.35 114.29 3kpi s TYR 98 Ca 0.44 -0.80 0.08 0.00 -0.52 0.00 0.00 57.07 56.27 3kpi s TYR 98 Cb -0.16 -0.57 -0.17 0.00 0.38 0.00 0.00 41.96 41.44 3kpi s TYR 98 CO 0.21 -0.04 -0.08 -0.25 -1.52 0.00 0.00 175.55 173.87 3kpi n ASP 99 N 0.06 1.60 -4.01 -0.18 8.00 -0.09 -4.86 116.55 117.06 3kpi n ASP 99 Ca -0.12 -0.07 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 3kpi n ASP 99 Cb 0.60 0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 41.76 3kpi n ASP 99 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kpi s TYR 100 N -2.43 0.86 -0.12 1.24 2.02 -1.10 -4.83 117.35 112.98 3kpi s TYR 100 Ca -0.20 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3kpi s TYR 100 Cb 0.07 -0.58 -0.00 0.00 -0.40 0.00 0.00 41.96 41.04 3kpi s TYR 100 CO 0.60 -0.05 -0.20 -1.17 -1.57 0.00 0.00 175.55 173.16 3kpi s LEU 101 N -0.03 2.31 -0.26 -1.29 2.96 -0.64 -1.15 118.68 120.59 3kpi s LEU 101 Ca 0.01 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 3kpi s LEU 101 Cb -0.06 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3kpi s LEU 101 CO -0.00 0.14 0.02 -0.32 -1.32 0.00 0.00 176.35 174.87 3kpi s MET 102 N 0.48 3.19 -0.27 1.98 -2.45 0.10 -0.04 119.30 122.29 3kpi s MET 102 Ca -0.13 -0.77 -0.21 0.00 -1.25 0.00 0.00 55.69 53.33 3kpi s MET 102 Cb -0.17 -3.20 -0.01 0.00 1.25 0.00 0.00 34.83 32.70 3kpi s MET 102 CO 0.05 -0.34 0.67 0.42 1.05 0.00 0.00 175.02 176.87 3kpi s ILE 103 N 1.48 4.94 -0.37 10.11 1.01 0.16 -1.03 121.20 137.50 3kpi s ILE 103 Ca 0.03 1.14 0.14 0.00 0.00 0.00 0.00 60.65 61.96 3kpi s ILE 103 Cb -0.16 -3.98 0.43 0.00 0.01 0.00 0.00 42.46 38.76 3kpi s ILE 103 CO -0.00 -0.04 0.96 0.00 0.00 0.00 0.00 174.94 175.86 3kpi n ALA 104 N 5.81 3.67 1.55 9.38 0.00 0.22 -0.83 120.51 140.31 3kpi n ALA 104 Ca 0.00 -3.52 0.14 0.00 0.00 0.00 0.00 53.44 50.06 3kpi n ALA 104 Cb 0.49 -0.84 0.57 0.00 0.00 0.00 0.00 19.45 19.67 3kpi n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kpi n THR 105 N -0.12 0.00 -4.94 0.00 -2.24 -1.17 -4.32 114.28 101.49 3kpi n THR 105 Ca 0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3kpi n THR 105 Cb 0.74 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3kpi n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kpi n GLY 106 N 1.16 0.90 3.85 3.38 0.00 -1.26 -4.79 105.19 108.43 3kpi n GLY 106 Ca 0.19 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3kpi n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kpi s PRO 107 N 0.00 3.82 -0.04 1.61 0.04 -1.26 -4.16 135.00 135.01 3kpi s PRO 107 Ca 0.00 0.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.03 3kpi s PRO 107 Cb 0.00 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3kpi s PRO 107 CO 0.00 0.66 1.04 0.21 0.04 0.00 0.00 177.00 178.95 3kpi s LYS 108 N -1.32 4.47 -0.60 4.56 2.20 0.30 -4.82 119.74 124.53 3kpi s LYS 108 Ca 0.26 1.48 -0.28 0.00 -0.36 0.00 0.00 55.97 57.06 3kpi s LYS 108 Cb -0.15 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3kpi s LYS 108 CO 0.14 -0.21 1.21 -0.51 -0.36 0.00 0.00 175.35 175.61 3kpi s LEU 109 N 1.52 3.42 -1.39 5.43 1.43 -1.26 -0.52 118.68 127.31 3kpi s LEU 109 Ca 0.52 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.59 3kpi s LEU 109 Cb -0.21 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3kpi s LEU 109 CO 0.24 -1.53 2.81 0.00 0.23 0.00 0.00 176.35 178.10 3kpi n ALA 110 N 8.57 7.22 0.12 4.21 0.00 -0.41 -4.66 120.51 135.56 3kpi n ALA 110 Ca 0.08 -3.60 0.16 0.00 0.00 0.00 0.00 53.44 50.08 3kpi n ALA 110 Cb 0.49 -3.07 0.71 0.00 0.00 0.00 0.00 19.45 17.58 3kpi n ALA 110 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kpi h PHE 111 N 4.67 0.00 0.00 0.00 0.04 -1.92 -2.01 116.94 117.73 3kpi h PHE 111 Ca 0.76 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.53 3kpi h PHE 111 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3kpi h PHE 111 CO 1.77 0.00 0.00 1.05 -0.60 0.00 0.00 178.31 180.53 3kpi h GLU 112 N 0.00 0.00 -0.14 1.51 9.09 -1.98 -0.52 114.58 122.54 3kpi h GLU 112 Ca 0.14 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.60 3kpi h GLU 112 Cb 0.61 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 3kpi h GLU 112 CO -0.00 0.00 0.12 -0.91 0.05 0.00 0.00 179.01 178.27 3kpi h ASN 113 N 0.00 0.00 -3.58 3.06 4.21 -1.76 -3.35 115.58 114.16 3kpi h ASN 113 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 3kpi h ASN 113 Cb 0.36 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.16 3kpi h ASN 113 CO 0.00 0.00 -0.72 -0.69 -1.29 0.00 0.00 177.43 174.73 3kpi s VAL 114 N -4.89 1.60 0.12 2.81 1.01 -0.20 -4.98 120.40 115.86 3kpi s VAL 114 Ca -0.05 -2.33 -0.35 0.00 0.00 0.00 0.00 61.98 59.25 3kpi s VAL 114 Cb 0.17 -2.15 -0.16 0.00 0.00 0.00 0.00 36.38 34.24 3kpi s VAL 114 CO 0.64 -0.77 1.32 -2.65 0.00 0.00 0.00 175.10 173.64 3kpi n PRO 115 N 3.95 1.29 -0.00 2.72 -0.02 -1.26 -0.38 135.00 141.29 3kpi n PRO 115 Ca 0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kpi n PRO 115 Cb 0.37 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kpi n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpi n GLY 116 N 2.47 2.07 0.03 -1.23 0.00 -1.26 -0.64 105.19 106.64 3kpi n GLY 116 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3kpi n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kpi n SER 117 N 0.00 0.39 -4.76 1.61 3.41 0.48 -3.97 113.62 110.79 3kpi n SER 117 Ca 0.00 0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.50 3kpi n SER 117 Cb 0.00 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 3kpi n SER 117 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kpi n ASP 118 N -1.76 3.68 0.23 4.04 -0.08 -1.26 -4.75 116.55 116.64 3kpi n ASP 118 Ca 0.06 1.20 0.17 0.00 -1.51 0.00 0.00 54.79 54.71 3kpi n ASP 118 Cb 0.37 -1.59 0.86 0.00 2.34 0.00 0.00 41.12 43.10 3kpi n ASP 118 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kpi h PRO 119 N 3.49 0.00 0.00 -0.67 0.11 -1.87 0.06 132.00 133.11 3kpi h PRO 119 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kpi h PRO 119 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kpi h PRO 119 CO 0.69 0.00 -0.41 0.72 -0.21 0.00 0.00 178.00 178.79 3kpi n HIS 120 N -3.74 0.20 -0.00 0.65 8.25 -1.26 -4.14 115.22 115.18 3kpi n HIS 120 Ca 0.01 0.06 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 3kpi n HIS 120 Cb 0.29 -0.45 0.10 0.00 1.12 0.00 0.00 29.99 31.06 3kpi n HIS 120 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3kpi n GLU 121 N -1.71 2.19 -2.39 -0.41 0.28 -0.00 -5.06 120.64 113.54 3kpi n GLU 121 Ca 0.05 -1.71 -0.01 0.00 -0.16 0.00 0.00 57.16 55.33 3kpi n GLU 121 Cb 0.37 -1.21 0.01 0.00 1.43 0.00 0.00 31.44 32.04 3kpi n GLU 121 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kpi n GLY 122 N 0.39 0.91 0.27 -1.84 0.00 -1.16 -4.91 105.19 98.86 3kpi n GLY 122 Ca 0.09 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.26 3kpi n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kpi n PRO 123 N -0.28 1.01 -2.92 1.61 -0.04 -1.26 -4.75 135.00 128.36 3kpi n PRO 123 Ca -0.00 -0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 62.48 3kpi n PRO 123 Cb 0.21 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 3kpi n PRO 123 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kpi s VAL 124 N -2.36 4.62 0.08 0.52 1.01 -1.26 -2.20 120.40 120.80 3kpi s VAL 124 Ca 0.29 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.87 3kpi s VAL 124 Cb 0.20 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3kpi s VAL 124 CO 0.46 -0.70 0.11 0.00 0.00 0.00 0.00 175.10 174.97 3kpi n GLN 125 N 6.78 0.73 -3.64 2.72 1.13 0.17 -3.90 117.38 121.37 3kpi n GLN 125 Ca 0.03 -0.35 -0.13 0.00 -1.94 0.00 0.00 57.00 54.61 3kpi n GLN 125 Cb 0.48 -0.06 -0.06 0.00 0.11 0.00 0.00 30.24 30.71 3kpi n GLN 125 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kpi s SER 126 N -1.47 -0.33 -0.09 1.08 0.15 -1.26 -2.51 113.70 109.25 3kpi s SER 126 Ca 0.08 0.09 0.13 0.00 0.70 0.00 0.00 55.95 56.95 3kpi s SER 126 Cb -0.01 0.44 0.26 0.00 -1.71 0.00 0.00 66.02 65.00 3kpi s SER 126 CO 0.05 -0.65 1.13 2.30 1.20 0.00 0.00 173.24 177.26 3kpi n ILE 127 N 0.58 1.20 0.07 6.45 -5.35 -1.26 -3.08 119.36 117.98 3kpi n ILE 127 Ca -0.19 -1.69 -0.10 0.00 -0.27 0.00 0.00 62.75 60.50 3kpi n ILE 127 Cb 0.59 0.12 -0.00 0.00 -1.74 0.00 0.00 39.64 38.61 3kpi n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi s THR 129 N -3.34 3.41 0.30 0.00 -4.23 -1.26 -4.92 115.64 105.61 3kpi s THR 129 Ca -0.04 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3kpi s THR 129 Cb 0.10 -2.78 0.08 0.00 1.34 0.00 0.00 72.50 71.24 3kpi s THR 129 CO 0.84 -0.29 1.76 1.62 -0.54 0.00 0.00 174.62 178.01 3kpi h VAL 130 N 2.15 1.25 -0.03 2.29 3.04 -1.95 0.60 116.25 123.60 3kpi h VAL 130 Ca -0.45 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3kpi h VAL 130 Cb 1.23 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3kpi h VAL 130 CO 0.59 0.38 0.02 0.44 -1.01 0.00 0.00 177.57 177.98 3kpi h ASP 131 N 0.38 0.02 -0.37 3.17 3.32 -1.98 -1.51 116.42 119.46 3kpi h ASP 131 Ca 0.06 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3kpi h ASP 131 Cb 0.61 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3kpi h ASP 131 CO 0.04 0.02 -0.16 0.45 -1.72 0.00 0.00 179.24 177.87 3kpi h HIS 132 N 0.04 0.94 -0.52 4.55 3.86 -1.71 -2.24 115.15 120.07 3kpi h HIS 132 Ca 0.01 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 3kpi h HIS 132 Cb 0.00 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3kpi h HIS 132 CO -0.08 0.94 0.10 0.00 0.86 0.00 0.00 177.93 179.75 3kpi h ALA 133 N 1.07 1.20 -0.51 2.45 0.00 -0.81 0.36 119.26 123.02 3kpi h ALA 133 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3kpi h ALA 133 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kpi h ALA 133 CO 0.05 0.54 -0.05 0.93 0.00 0.00 0.00 179.25 180.72 3kpi h GLU 134 N 0.78 0.91 -0.50 0.00 5.08 -1.03 0.07 114.58 119.89 3kpi h GLU 134 Ca 0.17 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3kpi h GLU 134 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3kpi h GLU 134 CO 0.00 0.94 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.81 3kpi h ARG 135 N 0.83 0.88 -0.54 2.33 2.43 -0.75 -1.81 114.38 117.75 3kpi h ARG 135 Ca 0.14 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kpi h ARG 135 Cb 0.57 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3kpi h ARG 135 CO 0.03 0.91 0.33 0.00 -1.51 0.00 0.00 179.97 179.74 3kpi h ALA 136 N 1.13 0.69 -0.63 2.80 0.00 0.30 -1.50 119.26 122.05 3kpi h ALA 136 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kpi h ALA 136 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kpi h ALA 136 CO 0.03 0.17 0.19 0.35 0.00 0.00 0.00 179.25 179.99 3kpi h PHE 137 N 0.73 0.98 -0.54 0.00 3.57 -0.78 0.72 116.94 121.62 3kpi h PHE 137 Ca 0.20 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kpi h PHE 137 Cb -0.02 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 3kpi h PHE 137 CO -0.03 0.79 0.34 0.00 -2.23 0.00 0.00 178.31 177.19 3kpi h ALA 138 N 1.28 0.69 -0.18 2.41 0.00 -0.80 0.08 119.26 122.74 3kpi h ALA 138 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kpi h ALA 138 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kpi h ALA 138 CO -0.01 0.16 -0.25 1.49 0.00 0.00 0.00 179.25 180.65 3kpi h GLU 139 N 0.73 0.32 -0.41 0.00 4.81 -0.77 -1.64 114.58 117.62 3kpi h GLU 139 Ca 0.20 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3kpi h GLU 139 Cb -0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3kpi h GLU 139 CO -0.04 0.55 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.75 3kpi h TYR 140 N 0.29 0.82 -0.14 0.92 3.20 -0.23 -0.22 116.97 121.61 3kpi h TYR 140 Ca 0.05 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 3kpi h TYR 140 Cb 0.60 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3kpi h TYR 140 CO 0.01 0.83 -0.27 1.96 -1.64 0.00 0.00 178.16 179.05 3kpi h GLN 141 N 0.67 0.26 -0.37 1.82 4.20 -0.43 -1.53 115.11 119.74 3kpi h GLN 141 Ca 0.11 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3kpi h GLN 141 Cb 0.60 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3kpi h GLN 141 CO 0.04 0.52 -0.27 0.00 -0.67 0.00 0.00 178.83 178.45 3kpi h ALA 142 N 1.48 0.82 -0.59 3.87 0.00 -0.70 -2.68 119.26 121.47 3kpi h ALA 142 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3kpi h ALA 142 Cb 0.61 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3kpi h ALA 142 CO 0.04 0.64 0.35 1.25 0.00 0.00 0.00 179.25 181.54 3kpi h LEU 143 N 0.66 0.56 -1.47 0.00 5.85 -0.52 -1.67 115.31 118.72 3kpi h LEU 143 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kpi h LEU 143 Cb 0.80 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3kpi h LEU 143 CO 0.07 0.39 0.35 -0.07 -0.34 0.00 0.00 178.44 178.84 3kpi h LEU 144 N 0.69 0.62 -0.56 2.25 4.07 -1.10 -0.80 115.31 120.48 3kpi h LEU 144 Ca 0.24 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 58.03 3kpi h LEU 144 Cb 0.05 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3kpi h LEU 144 CO -0.11 0.45 -0.72 0.03 -1.08 0.00 0.00 178.44 177.01 3kpi h ARG 145 N 0.73 0.03 -2.18 1.13 3.08 -1.08 -3.40 114.38 112.70 3kpi h ARG 145 Ca 0.20 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.67 3kpi h ARG 145 Cb -0.08 0.01 -0.36 0.00 0.08 0.00 0.00 29.97 29.62 3kpi h ARG 145 CO -0.04 0.73 -0.95 0.39 -1.07 0.00 0.00 179.97 179.03 3kpi n GLU 146 N -3.70 0.29 -1.54 0.04 1.02 -0.69 -5.12 120.64 110.94 3kpi n GLU 146 Ca -0.01 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.64 3kpi n GLU 146 Cb 0.70 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.54 3kpi n GLU 146 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kpi n PRO 147 N 2.64 0.98 -3.78 3.49 -0.02 -0.39 -4.67 135.00 133.26 3kpi n PRO 147 Ca 0.28 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 3kpi n PRO 147 Cb 0.49 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 3kpi n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpi n GLY 148 N 1.45 0.81 3.77 -1.23 0.00 -1.26 -4.94 105.19 103.79 3kpi n GLY 148 Ca 0.11 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 3kpi n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kpi s PRO 149 N -2.07 3.85 -0.10 1.61 0.02 -1.26 -4.35 135.00 132.69 3kpi s PRO 149 Ca 0.19 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3kpi s PRO 149 Cb -0.04 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 3kpi s PRO 149 CO 0.09 -0.57 -0.06 0.42 -0.33 0.00 0.00 177.00 176.55 3kpi s ILE 150 N -1.32 3.73 -0.08 2.83 1.01 -0.16 -1.03 121.20 126.18 3kpi s ILE 150 Ca 0.60 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 3kpi s ILE 150 Cb -0.36 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.57 3kpi s ILE 150 CO 0.46 0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 175.24 3kpi s VAL 151 N -0.35 0.57 0.05 2.92 1.01 -0.79 -0.93 120.40 122.88 3kpi s VAL 151 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3kpi s VAL 151 Cb -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3kpi s VAL 151 CO 0.02 0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 174.63 3kpi s ILE 152 N 1.71 1.13 -2.73 2.22 1.01 -0.42 -1.70 121.20 122.42 3kpi s ILE 152 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3kpi s ILE 152 Cb -0.13 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3kpi s ILE 152 CO -0.05 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.45 3kpi n GLY 153 N 1.73 -0.63 2.80 6.18 0.00 -0.16 -1.58 105.19 113.53 3kpi n GLY 153 Ca -0.19 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 3kpi n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 154 N -1.00 -0.01 0.97 4.61 0.00 -0.35 -0.68 121.76 125.31 3kpi s ALA 154 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 3kpi s ALA 154 Cb 0.00 -0.39 0.18 0.00 0.00 0.00 0.00 23.12 22.90 3kpi s ALA 154 CO 0.00 -0.20 1.10 -1.64 0.00 0.00 0.00 175.76 175.02 3kpi s MET 155 N 1.33 0.60 0.45 0.00 -1.94 0.04 -2.92 119.30 116.85 3kpi s MET 155 Ca -0.06 1.26 -0.25 0.00 -1.71 0.00 0.00 55.69 54.93 3kpi s MET 155 Cb -0.12 -1.70 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 3kpi s MET 155 CO -0.04 -2.83 1.29 0.00 -0.01 0.00 0.00 175.02 173.43 3kpi n ALA 156 N -4.34 1.38 -0.31 3.03 0.00 -1.26 -2.44 120.51 116.57 3kpi n ALA 156 Ca 0.09 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3kpi n ALA 156 Cb 0.53 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3kpi n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpi n GLY 157 N 0.80 1.94 3.72 0.00 0.00 0.14 -4.26 105.19 107.53 3kpi n GLY 157 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3kpi n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 158 N -3.15 2.01 0.00 4.61 0.00 -1.02 -4.16 121.76 120.05 3kpi s ALA 158 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3kpi s ALA 158 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3kpi s ALA 158 CO 0.00 -2.02 0.00 -1.13 0.00 0.00 0.00 175.76 172.61 3kpi n SER 159 N -3.21 0.31 -4.02 0.00 3.41 -1.26 0.28 113.62 109.12 3kpi n SER 159 Ca 0.12 -0.18 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 3kpi n SER 159 Cb 0.51 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.78 3kpi n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kpi h PHE 161 N 6.36 0.33 -0.80 0.00 0.04 -1.92 -3.38 116.94 117.56 3kpi h PHE 161 Ca 0.04 -0.24 0.18 0.00 2.80 0.00 0.00 57.97 60.75 3kpi h PHE 161 Cb 0.87 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.86 3kpi h PHE 161 CO 0.66 1.33 -0.09 0.78 -0.60 0.00 0.00 178.31 180.40 3kpi h GLY 162 N 2.08 0.76 2.00 -1.45 0.00 -1.91 0.15 103.07 104.70 3kpi h GLY 162 Ca -0.26 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kpi h GLY 162 CO 0.13 -0.32 -0.03 -2.55 0.00 0.00 0.00 176.54 173.77 3kpi h PRO 163 N 0.04 0.00 -0.18 4.80 0.11 -1.98 -0.60 132.00 134.19 3kpi h PRO 163 Ca 0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.45 3kpi h PRO 163 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3kpi h PRO 163 CO -0.76 0.03 -0.19 0.00 -0.21 0.00 0.00 178.00 176.86 3kpi h ALA 164 N 1.97 0.26 -0.20 -0.75 0.00 -0.92 -0.31 119.26 119.32 3kpi h ALA 164 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kpi h ALA 164 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kpi h ALA 164 CO 0.00 0.19 0.12 1.88 0.00 0.00 0.00 179.25 181.44 3kpi h TYR 165 N 0.10 0.27 -0.41 0.00 0.05 -1.27 -1.22 116.97 114.48 3kpi h TYR 165 Ca 0.03 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.87 3kpi h TYR 165 Cb 0.74 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 3kpi h TYR 165 CO 0.08 0.22 0.10 1.49 -1.05 0.00 0.00 178.16 179.00 3kpi h GLU 166 N 0.24 0.23 -0.53 4.88 4.81 -1.08 -0.37 114.58 122.75 3kpi h GLU 166 Ca 0.07 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3kpi h GLU 166 Cb 0.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3kpi h GLU 166 CO -0.01 0.15 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.46 3kpi h TYR 167 N 0.24 1.07 -0.52 0.92 3.20 -0.85 0.74 116.97 121.77 3kpi h TYR 167 Ca 0.20 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3kpi h TYR 167 Cb 0.23 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3kpi h TYR 167 CO -0.19 0.98 0.27 0.00 -1.64 0.00 0.00 178.16 177.59 3kpi h ALA 168 N 0.94 0.66 -0.64 1.82 0.00 -0.82 0.40 119.26 121.62 3kpi h ALA 168 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kpi h ALA 168 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kpi h ALA 168 CO 0.03 0.20 0.18 0.52 0.00 0.00 0.00 179.25 180.18 3kpi h MET 169 N 0.69 1.01 0.02 0.00 2.86 -0.60 -1.12 114.93 117.79 3kpi h MET 169 Ca 0.18 -0.23 -0.21 0.00 -2.06 0.00 0.00 59.70 57.38 3kpi h MET 169 Cb 0.07 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kpi h MET 169 CO -0.03 0.90 -1.00 -0.84 1.06 0.00 0.00 176.91 177.01 3kpi h ILE 170 N 0.94 1.63 -0.20 -1.22 3.07 -0.58 -0.74 117.51 120.40 3kpi h ILE 170 Ca 0.20 -3.16 -0.01 0.00 1.55 0.00 0.00 64.86 63.45 3kpi h ILE 170 Cb 0.33 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 39.63 3kpi h ILE 170 CO -0.00 0.91 0.10 0.58 -1.05 0.00 0.00 178.15 178.69 3kpi h VAL 171 N 0.03 1.13 -0.49 0.16 2.07 -0.83 0.18 116.25 118.49 3kpi h VAL 171 Ca -0.04 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.16 3kpi h VAL 171 Cb 1.72 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3kpi h VAL 171 CO 0.14 0.13 0.24 0.00 0.02 0.00 0.00 177.57 178.09 3kpi h ALA 172 N 0.97 0.62 -0.56 1.67 0.00 -1.02 -0.94 119.26 120.00 3kpi h ALA 172 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kpi h ALA 172 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kpi h ALA 172 CO -0.01 -0.12 0.23 1.03 0.00 0.00 0.00 179.25 180.38 3kpi h SER 173 N 0.46 0.78 -0.54 0.00 0.87 -0.95 -2.05 113.55 112.12 3kpi h SER 173 Ca 0.22 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3kpi h SER 173 Cb 0.14 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3kpi h SER 173 CO -0.16 0.73 -0.02 -0.78 -0.53 0.00 0.00 176.83 176.06 3kpi h ASP 174 N 0.77 0.98 -0.56 6.23 3.58 -0.55 -1.14 116.42 125.73 3kpi h ASP 174 Ca 0.19 -0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.43 3kpi h ASP 174 Cb 0.19 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 3kpi h ASP 174 CO -0.02 1.05 0.23 -0.07 -2.88 0.00 0.00 179.24 177.55 3kpi h LEU 175 N 0.91 0.26 -0.43 2.28 4.07 -0.86 -0.83 115.31 120.72 3kpi h LEU 175 Ca 0.16 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 3kpi h LEU 175 Cb 0.56 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 3kpi h LEU 175 CO 0.03 0.17 0.17 0.11 -1.08 0.00 0.00 178.44 177.84 3kpi h LYS 176 N 0.42 0.64 -0.42 1.13 1.57 -0.88 0.85 116.57 119.88 3kpi h LYS 176 Ca 0.27 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3kpi h LYS 176 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3kpi h LYS 176 CO -0.25 0.59 0.28 0.87 -0.57 0.00 0.00 179.45 180.37 3kpi h LYS 177 N 0.55 0.51 -0.10 3.15 1.57 -0.66 0.96 116.57 122.56 3kpi h LYS 177 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kpi h LYS 177 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kpi h LYS 177 CO -0.01 0.34 0.00 0.54 -0.57 0.00 0.00 179.45 179.75 3kpi n ARG 178 N -4.48 1.53 -3.07 3.15 1.74 -0.37 -4.91 116.66 110.25 3kpi n ARG 178 Ca 0.04 -0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 56.10 3kpi n ARG 178 Cb 0.09 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 3kpi n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpi n GLY 179 N 1.07 -0.51 0.19 -0.13 0.00 0.33 -4.87 105.19 101.27 3kpi n GLY 179 Ca 0.17 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.32 3kpi n GLY 179 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kpi n MET 180 N -3.86 -0.24 -0.32 1.61 0.00 0.22 -4.72 117.12 109.81 3kpi n MET 180 Ca -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 57.70 56.79 3kpi n MET 180 Cb 0.60 -1.09 0.16 0.00 0.00 0.00 0.00 33.22 32.89 3kpi n MET 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kpi h ARG 181 N 0.92 1.20 0.00 2.12 9.65 -1.83 -1.95 114.38 124.50 3kpi h ARG 181 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3kpi h ARG 181 Cb 0.21 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3kpi h ARG 181 CO 0.00 0.79 0.00 -0.40 2.80 0.00 0.00 179.97 183.16 3kpi n ASP 182 N -4.40 0.00 -0.22 -3.80 5.68 -1.26 -2.40 116.55 110.15 3kpi n ASP 182 Ca 0.11 -0.18 0.14 0.00 -0.50 0.00 0.00 54.79 54.36 3kpi n ASP 182 Cb 0.03 -0.26 0.48 0.00 -1.14 0.00 0.00 41.12 40.23 3kpi n ASP 182 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kpi n LYS 183 N -1.26 0.88 -3.06 0.11 4.01 -0.73 -4.82 118.16 113.29 3kpi n LYS 183 Ca 0.14 -0.45 -0.41 0.00 -0.51 0.00 0.00 58.31 57.09 3kpi n LYS 183 Cb 0.21 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.18 3kpi n LYS 183 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3kpi s ILE 184 N -2.43 4.96 0.20 -0.18 -1.09 -1.01 -4.52 121.20 117.12 3kpi s ILE 184 Ca 0.28 1.25 -0.09 0.00 -2.23 0.00 0.00 60.65 59.86 3kpi s ILE 184 Cb 0.20 -3.98 0.11 0.00 -1.58 0.00 0.00 42.46 37.20 3kpi s ILE 184 CO 0.48 0.02 1.71 1.55 -1.23 0.00 0.00 174.94 177.47 3kpi h PRO 185 N 7.75 1.12 -2.66 2.79 0.14 -1.88 -3.45 132.00 135.81 3kpi h PRO 185 Ca -0.27 -0.28 -0.06 0.00 0.14 0.00 0.00 66.00 65.53 3kpi h PRO 185 Cb 1.12 -0.14 -0.17 0.00 0.14 0.00 0.00 31.00 31.95 3kpi h PRO 185 CO 0.80 1.00 0.06 -1.54 0.14 0.00 0.00 178.00 178.45 3kpi s SER 186 N -6.44 -0.47 -0.19 1.44 1.04 -1.26 -5.03 113.70 102.78 3kpi s SER 186 Ca -0.12 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 3kpi s SER 186 Cb 0.15 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.83 3kpi s SER 186 CO 0.85 -0.70 0.08 0.12 0.98 0.00 0.00 173.24 174.57 3kpi s PHE 187 N -2.25 0.43 0.03 5.02 5.99 -1.26 -0.99 117.98 124.95 3kpi s PHE 187 Ca -0.06 -0.52 0.09 0.00 0.00 0.00 0.00 56.93 56.43 3kpi s PHE 187 Cb -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 43.02 42.18 3kpi s PHE 187 CO -0.00 -0.57 -0.26 0.99 -0.00 0.00 0.00 175.22 175.38 3kpi s THR 188 N 2.06 2.16 -0.16 0.12 2.01 -0.11 -1.38 115.64 120.34 3kpi s THR 188 Ca 0.02 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.73 3kpi s THR 188 Cb -0.16 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.54 3kpi s THR 188 CO -0.12 0.43 -0.16 0.12 -0.69 0.00 0.00 174.62 174.20 3kpi s PHE 189 N -0.75 2.78 -0.12 4.92 2.19 0.10 -1.30 117.98 125.80 3kpi s PHE 189 Ca 0.11 -1.19 0.02 0.00 0.33 0.00 0.00 56.93 56.20 3kpi s PHE 189 Cb -0.10 -1.90 0.01 0.00 -1.31 0.00 0.00 43.02 39.72 3kpi s PHE 189 CO 0.01 -0.56 -0.17 0.42 1.83 0.00 0.00 175.22 176.75 3kpi s ILE 190 N 0.96 1.66 0.02 3.12 -1.09 -0.61 -0.24 121.20 125.01 3kpi s ILE 190 Ca -0.03 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.63 3kpi s ILE 190 Cb -0.15 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3kpi s ILE 190 CO -0.03 0.47 0.03 0.28 -1.23 0.00 0.00 174.94 174.47 3kpi s THR 191 N 0.96 0.11 -0.79 2.92 -1.32 -0.43 -1.21 115.64 115.88 3kpi s THR 191 Ca -0.06 -0.87 0.27 0.00 -1.21 0.00 0.00 61.69 59.82 3kpi s THR 191 Cb -0.15 -0.38 0.25 0.00 -1.51 0.00 0.00 72.50 70.71 3kpi s THR 191 CO -0.02 -0.48 1.76 -1.54 -2.21 0.00 0.00 174.62 172.14 3kpi n SER 192 N 1.46 0.62 -4.61 8.08 3.41 -1.15 -1.49 113.62 119.95 3kpi n SER 192 Ca -0.23 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.47 3kpi n SER 192 Cb 0.55 -0.63 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 3kpi n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kpi n GLU 193 N -2.06 1.30 0.25 4.33 1.02 -1.26 -4.24 120.64 119.98 3kpi n GLU 193 Ca 0.06 0.47 0.14 0.00 -0.02 0.00 0.00 57.16 57.80 3kpi n GLU 193 Cb 0.41 -2.04 0.62 0.00 -0.02 0.00 0.00 31.44 30.41 3kpi n GLU 193 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3kpi h PRO 194 N 1.43 0.00 -3.48 3.49 0.13 -1.91 0.31 132.00 131.98 3kpi h PRO 194 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3kpi h PRO 194 Cb 1.34 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.35 3kpi h PRO 194 CO 0.56 0.12 -0.11 1.52 -0.23 0.00 0.00 178.00 179.86 3kpi s TYR 195 N -3.76 -0.05 0.19 1.56 -0.85 -1.26 -4.50 117.35 108.68 3kpi s TYR 195 Ca 0.00 -0.29 -0.32 0.00 -0.52 0.00 0.00 57.07 55.93 3kpi s TYR 195 Cb 0.10 0.22 -0.12 0.00 0.38 0.00 0.00 41.96 42.54 3kpi s TYR 195 CO 0.58 -0.76 1.72 -0.89 -1.52 0.00 0.00 175.55 174.69 3kpi n ILE 196 N -0.25 0.06 -1.50 -3.49 2.08 -1.26 -2.24 119.36 112.76 3kpi n ILE 196 Ca -0.13 -0.01 -0.05 0.00 0.56 0.00 0.00 62.75 63.13 3kpi n ILE 196 Cb 0.63 -1.94 -0.01 0.00 -0.75 0.00 0.00 39.64 37.56 3kpi n ILE 196 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kpi n GLY 197 N 3.94 0.52 0.23 7.39 0.00 -1.26 -4.03 105.19 111.97 3kpi n GLY 197 Ca 0.17 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 3kpi n GLY 197 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kpi h HIS 198 N 0.00 0.91 -0.51 1.61 6.17 -1.81 -3.33 115.15 118.18 3kpi h HIS 198 Ca -0.10 -0.34 -0.22 0.00 0.71 0.00 0.00 60.37 60.42 3kpi h HIS 198 Cb 0.60 -0.16 -0.09 0.00 2.52 0.00 0.00 27.41 30.28 3kpi h HIS 198 CO 0.12 1.13 -0.20 1.28 0.71 0.00 0.00 177.93 180.98 3kpi n LEU 199 N -3.96 -0.37 0.00 0.26 4.77 -1.26 -1.21 117.00 115.23 3kpi n LEU 199 Ca -0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3kpi n LEU 199 Cb 0.64 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 3kpi n LEU 199 CO 0.49 -0.96 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 3kpi n GLY 200 N -0.05 1.56 0.67 -0.72 0.00 -1.26 -4.67 105.19 100.71 3kpi n GLY 200 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3kpi n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kpi n ILE 201 N -2.00 0.96 -3.09 -0.61 -5.35 -0.56 -4.12 119.36 104.60 3kpi n ILE 201 Ca 0.00 -1.53 -0.20 0.00 -0.27 0.00 0.00 62.75 60.75 3kpi n ILE 201 Cb 0.00 0.28 0.04 0.00 -1.74 0.00 0.00 39.64 38.22 3kpi n ILE 201 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpi n GLN 202 N -0.48 -5.14 -0.23 6.28 6.02 -0.96 -4.74 117.38 118.13 3kpi n GLN 202 Ca 0.10 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 3kpi n GLN 202 Cb 0.80 -5.43 -0.00 0.00 1.02 0.00 0.00 30.24 26.63 3kpi n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kpi n GLY 203 N -1.55 -2.94 2.79 1.08 0.00 -0.35 -4.99 105.19 99.22 3kpi n GLY 203 Ca -0.07 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 3kpi n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpi s VAL 204 N -4.06 0.12 0.00 1.61 0.11 -1.26 -5.03 120.40 111.89 3kpi s VAL 204 Ca 0.00 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 3kpi s VAL 204 Cb 0.00 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 3kpi s VAL 204 CO 0.00 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 3kpi n GLY 205 N 4.32 2.98 2.28 6.54 0.00 -1.22 -1.08 105.19 119.01 3kpi n GLY 205 Ca -0.23 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 3kpi n GLY 205 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kpi n ASP 206 N 2.59 7.12 -0.34 1.61 2.03 -1.26 -4.64 116.55 123.66 3kpi n ASP 206 Ca 0.00 -3.77 0.09 0.00 0.52 0.00 0.00 54.79 51.63 3kpi n ASP 206 Cb 0.00 -0.91 0.27 0.00 -0.72 0.00 0.00 41.12 39.76 3kpi n ASP 206 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kpi h SER 207 N 1.93 0.79 0.21 1.67 4.64 -1.40 -0.46 113.55 120.93 3kpi h SER 207 Ca 0.59 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.97 3kpi h SER 207 Cb 1.04 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kpi h SER 207 CO 1.47 0.35 -0.10 0.50 -0.87 0.00 0.00 176.83 178.18 3kpi h LYS 208 N 0.82 -0.27 -0.36 4.77 3.64 -1.74 -1.28 116.57 122.15 3kpi h LYS 208 Ca 0.52 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.87 3kpi h LYS 208 Cb 0.69 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3kpi h LYS 208 CO -0.33 -0.11 0.03 0.78 -2.27 0.00 0.00 179.45 177.54 3kpi h GLY 209 N -0.37 0.66 0.81 5.01 0.00 -1.73 -0.84 103.07 106.61 3kpi h GLY 209 Ca -0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3kpi h GLY 209 CO 0.05 0.43 -0.05 -2.22 0.00 0.00 0.00 176.54 174.76 3kpi h ILE 210 N 0.44 1.28 -0.36 2.60 2.04 -1.09 -1.51 117.51 120.91 3kpi h ILE 210 Ca 0.10 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.79 3kpi h ILE 210 Cb 0.42 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3kpi h ILE 210 CO 0.01 0.31 -0.39 -0.07 0.00 0.00 0.00 178.15 178.02 3kpi h LEU 211 N 0.12 0.94 -0.48 1.44 4.07 -1.22 -1.49 115.31 118.69 3kpi h LEU 211 Ca 0.05 -0.43 0.06 0.00 0.08 0.00 0.00 57.88 57.64 3kpi h LEU 211 Cb 0.49 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 3kpi h LEU 211 CO 0.02 1.21 0.19 0.74 -1.08 0.00 0.00 178.44 179.51 3kpi h THR 212 N 0.72 0.87 -0.58 0.22 2.02 -1.11 -1.16 112.91 113.89 3kpi h THR 212 Ca 0.06 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3kpi h THR 212 Cb 0.97 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3kpi h THR 212 CO 0.09 0.07 0.18 0.50 0.37 0.00 0.00 175.52 176.73 3kpi h LYS 213 N 0.37 0.88 -0.34 6.66 3.64 -1.03 -1.72 116.57 125.04 3kpi h LYS 213 Ca 0.22 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3kpi h LYS 213 Cb 0.21 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3kpi h LYS 213 CO -0.21 0.76 -0.09 0.78 -2.27 0.00 0.00 179.45 178.42 3kpi h GLY 214 N 0.99 0.71 0.94 5.01 0.00 -0.58 0.08 103.07 110.21 3kpi h GLY 214 Ca 0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3kpi h GLY 214 CO -0.01 0.55 0.14 1.41 0.00 0.00 0.00 176.54 178.63 3kpi h LEU 215 N 0.44 0.54 -0.33 3.11 3.38 -1.07 -2.31 115.31 119.07 3kpi h LEU 215 Ca 0.08 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kpi h LEU 215 Cb 0.60 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3kpi h LEU 215 CO 0.04 0.57 0.17 0.50 0.09 0.00 0.00 178.44 179.81 3kpi h LYS 216 N 0.47 0.34 0.00 1.13 3.64 -1.17 -1.00 116.57 119.99 3kpi h LYS 216 Ca 0.13 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3kpi h LYS 216 Cb 0.21 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kpi h LYS 216 CO -0.01 0.22 -0.05 0.93 -2.27 0.00 0.00 179.45 178.28 3kpi h GLU 217 N 0.35 0.00 -0.26 1.90 5.08 -0.79 -0.76 114.58 120.10 3kpi h GLU 217 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kpi h GLU 217 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kpi h GLU 217 CO -0.09 0.05 0.00 0.39 -1.00 0.00 0.00 179.01 178.36 3kpi n GLU 218 N -4.06 1.83 -2.12 2.33 -0.58 -0.56 -4.91 120.64 112.57 3kpi n GLU 218 Ca -0.03 -1.27 -0.15 0.00 -0.42 0.00 0.00 57.16 55.30 3kpi n GLU 218 Cb 0.13 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 3kpi n GLU 218 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kpi n GLY 219 N 1.14 0.10 3.71 0.62 0.00 -0.29 -4.99 105.19 105.48 3kpi n GLY 219 Ca 0.15 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3kpi n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpi s ILE 220 N -2.72 5.33 -0.18 -0.61 1.01 -0.49 -4.65 121.20 118.89 3kpi s ILE 220 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 3kpi s ILE 220 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3kpi s ILE 220 CO 0.00 0.38 0.37 -0.70 0.00 0.00 0.00 174.94 174.99 3kpi s GLU 221 N 0.64 4.22 -0.05 2.79 2.12 -0.48 -4.26 118.70 123.68 3kpi s GLU 221 Ca 0.13 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.70 3kpi s GLU 221 Cb -0.13 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3kpi s GLU 221 CO 0.03 0.06 -0.16 0.00 -0.54 0.00 0.00 175.26 174.65 3kpi s ALA 222 N 0.99 2.57 -0.05 6.30 0.00 -1.26 0.02 121.76 130.33 3kpi s ALA 222 Ca 0.19 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3kpi s ALA 222 Cb -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.07 3kpi s ALA 222 CO 0.07 0.53 -0.14 0.71 0.00 0.00 0.00 175.76 176.92 3kpi s TYR 223 N -0.62 1.53 0.46 0.00 2.02 0.67 -4.95 117.35 116.46 3kpi s TYR 223 Ca 0.09 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 3kpi s TYR 223 Cb -0.11 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3kpi s TYR 223 CO 0.01 -0.20 0.24 0.95 -1.57 0.00 0.00 175.55 174.97 3kpi s THR 224 N 0.28 2.04 -1.58 -0.71 -4.23 -1.26 -1.32 115.64 108.86 3kpi s THR 224 Ca -0.08 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3kpi s THR 224 Cb -0.13 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.04 3kpi s THR 224 CO 0.03 0.00 0.59 0.59 -0.54 0.00 0.00 174.62 175.29 3kpi n ASN 225 N -1.41 -6.17 -4.71 3.99 3.02 0.10 -4.78 115.26 105.30 3kpi n ASN 225 Ca -0.03 -0.28 -0.33 0.00 -0.03 0.00 0.00 54.58 53.91 3kpi n ASN 225 Cb 0.64 -4.99 -0.08 0.00 -0.61 0.00 0.00 39.78 34.74 3kpi n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kpi s LYS 227 N -1.44 1.83 -0.18 0.00 -2.85 0.06 -3.41 119.74 113.75 3kpi s LYS 227 Ca 0.19 -0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 54.25 3kpi s LYS 227 Cb -0.12 -1.60 -0.01 0.00 -2.06 0.00 0.00 37.83 34.05 3kpi s LYS 227 CO 0.09 0.27 0.89 0.08 0.10 0.00 0.00 175.35 176.78 3kpi s VAL 228 N -0.03 4.83 0.01 1.79 1.01 -1.26 -0.54 120.40 126.21 3kpi s VAL 228 Ca -0.03 1.74 0.08 0.00 0.00 0.00 0.00 61.98 63.77 3kpi s VAL 228 Cb -0.11 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.85 3kpi s VAL 228 CO 0.02 -0.02 0.85 0.71 0.00 0.00 0.00 175.10 176.66 3kpi h THR 229 N 5.25 1.12 -1.86 3.92 1.35 -1.19 -3.46 112.91 118.06 3kpi h THR 229 Ca -0.27 -2.91 0.21 0.00 -0.55 0.00 0.00 66.41 62.89 3kpi h THR 229 Cb 1.12 2.58 -0.15 0.00 -1.73 0.00 0.00 68.15 69.97 3kpi h THR 229 CO 0.87 0.68 0.66 -1.59 -0.25 0.00 0.00 175.52 175.89 3kpi s LYS 230 N -2.63 0.62 -0.18 4.72 -2.85 -1.24 -4.32 119.74 113.86 3kpi s LYS 230 Ca -0.04 -0.28 0.01 0.00 -1.00 0.00 0.00 55.97 54.66 3kpi s LYS 230 Cb 0.08 0.26 0.03 0.00 -2.06 0.00 0.00 37.83 36.14 3kpi s LYS 230 CO 0.82 -0.28 -0.15 0.08 0.10 0.00 0.00 175.35 175.93 3kpi s VAL 231 N -2.78 1.77 -0.10 1.79 1.01 0.19 -1.29 120.40 121.00 3kpi s VAL 231 Ca 0.09 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3kpi s VAL 231 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.70 3kpi s VAL 231 CO -0.05 0.37 0.24 -0.70 0.00 0.00 0.00 175.10 174.96 3kpi s GLU 232 N 1.38 0.23 -1.52 2.72 2.12 -0.06 -4.10 118.70 119.47 3kpi s GLU 232 Ca 0.02 0.43 -0.12 0.00 0.36 0.00 0.00 54.97 55.66 3kpi s GLU 232 Cb -0.14 -0.00 0.08 0.00 0.26 0.00 0.00 34.13 34.33 3kpi s GLU 232 CO -0.10 -0.10 0.92 -0.25 -0.54 0.00 0.00 175.26 175.19 3kpi n ASP 233 N 3.61 -4.15 -1.81 -1.70 8.00 -1.26 -1.01 116.55 118.24 3kpi n ASP 233 Ca -0.19 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.33 3kpi n ASP 233 Cb 0.56 -3.79 -0.02 0.00 -0.02 0.00 0.00 41.12 37.85 3kpi n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kpi n ASN 234 N -2.85 -4.93 -4.03 -2.24 3.02 -1.26 -4.97 115.26 98.00 3kpi n ASN 234 Ca -0.00 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.39 3kpi n ASN 234 Cb 0.54 -4.01 -0.15 0.00 -0.61 0.00 0.00 39.78 35.55 3kpi n ASN 234 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kpi s LYS 235 N -4.63 0.84 -0.24 3.52 1.02 -0.18 -0.52 119.74 119.55 3kpi s LYS 235 Ca 0.00 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 3kpi s LYS 235 Cb 0.00 -0.81 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 3kpi s LYS 235 CO 0.00 0.20 0.14 1.41 -0.92 0.00 0.00 175.35 176.18 3kpi s MET 236 N -0.17 3.98 -0.34 1.68 -2.45 0.92 -0.88 119.30 122.04 3kpi s MET 236 Ca 0.03 -0.32 -0.17 0.00 -1.25 0.00 0.00 55.69 53.98 3kpi s MET 236 Cb -0.05 -3.49 -0.01 0.00 1.25 0.00 0.00 34.83 32.53 3kpi s MET 236 CO -0.00 0.00 0.44 0.71 1.05 0.00 0.00 175.02 177.22 3kpi s TYR 237 N 1.19 3.20 -0.07 4.11 2.02 -0.41 -0.74 117.35 126.65 3kpi s TYR 237 Ca 0.07 0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.88 3kpi s TYR 237 Cb -0.14 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.61 3kpi s TYR 237 CO 0.05 -0.48 -0.17 0.08 -1.57 0.00 0.00 175.55 173.46 3kpi s VAL 238 N 2.20 2.74 -0.10 0.71 1.01 -0.30 -0.54 120.40 126.11 3kpi s VAL 238 Ca 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kpi s VAL 238 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3kpi s VAL 238 CO 0.12 0.57 -0.11 -0.89 0.00 0.00 0.00 175.10 174.79 3kpi s THR 239 N -0.30 3.26 -0.03 3.92 2.01 0.30 -0.64 115.64 124.16 3kpi s THR 239 Ca 0.02 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.48 3kpi s THR 239 Cb -0.13 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 3kpi s THR 239 CO 0.03 0.55 -0.25 -1.58 -0.69 0.00 0.00 174.62 172.68 3kpi s GLN 240 N -0.08 2.19 0.37 4.92 0.74 -0.33 -0.76 119.66 126.71 3kpi s GLN 240 Ca -0.01 -0.90 0.08 0.00 0.05 0.00 0.00 55.36 54.58 3kpi s GLN 240 Cb -0.14 -2.09 -0.07 0.00 1.10 0.00 0.00 33.01 31.82 3kpi s GLN 240 CO 0.03 0.55 -0.06 0.14 -0.55 0.00 0.00 175.29 175.41 3kpi s VAL 241 N -0.58 2.13 0.72 1.34 -7.23 -0.61 -0.87 120.40 115.30 3kpi s VAL 241 Ca 0.09 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3kpi s VAL 241 Cb -0.10 -2.77 0.14 0.00 0.56 0.00 0.00 36.38 34.20 3kpi s VAL 241 CO -0.00 -0.13 1.00 1.51 -0.31 0.00 0.00 175.10 177.16 3kpi s ASP 242 N -3.64 4.32 0.61 4.85 -4.77 -0.33 -4.81 116.67 112.91 3kpi s ASP 242 Ca 0.33 -0.49 0.30 0.00 -3.30 0.00 0.00 52.55 49.39 3kpi s ASP 242 Cb 0.05 0.16 1.61 0.00 -1.09 0.00 0.00 42.92 43.65 3kpi s ASP 242 CO 0.17 -1.89 1.98 -0.08 0.70 0.00 0.00 175.17 176.04 3kpi h GLU 243 N -0.51 0.00 -0.23 2.11 4.57 -1.99 0.22 114.58 118.75 3kpi h GLU 243 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3kpi h GLU 243 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3kpi h GLU 243 CO 0.38 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.84 3kpi n LYS 244 N -3.47 2.16 -0.79 1.92 5.02 -1.26 -4.63 118.16 117.12 3kpi n LYS 244 Ca 0.03 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 3kpi n LYS 244 Cb 0.47 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3kpi n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kpi n GLY 245 N 1.34 0.93 3.72 0.72 0.00 0.77 -5.03 105.19 107.64 3kpi n GLY 245 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kpi n GLY 245 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kpi s GLU 246 N -0.20 4.46 0.25 1.61 2.12 -1.26 -4.73 118.70 120.95 3kpi s GLU 246 Ca 0.00 1.81 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 3kpi s GLU 246 Cb 0.00 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 3kpi s GLU 246 CO 0.00 -0.17 1.12 -0.08 -0.54 0.00 0.00 175.26 175.58 3kpi s THR 247 N 0.56 3.56 -0.00 -1.70 -1.32 -1.26 -1.18 115.64 114.29 3kpi s THR 247 Ca 0.56 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 62.52 3kpi s THR 247 Cb -0.31 -3.94 -0.00 0.00 -1.51 0.00 0.00 72.50 66.74 3kpi s THR 247 CO 0.32 0.32 0.00 2.30 -2.21 0.00 0.00 174.62 175.35 3kpi n ILE 248 N 1.60 0.00 -3.48 5.08 -5.35 -0.05 -4.89 119.36 112.27 3kpi n ILE 248 Ca 0.00 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 3kpi n ILE 248 Cb 0.45 0.69 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 3kpi n ILE 248 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3kpi s LYS 249 N -1.62 1.02 0.13 6.28 -2.85 -1.18 -5.04 119.74 116.48 3kpi s LYS 249 Ca -0.00 -0.23 0.09 0.00 -1.00 0.00 0.00 55.97 54.83 3kpi s LYS 249 Cb 0.00 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 3kpi s LYS 249 CO 0.00 -0.42 -0.18 -1.21 0.10 0.00 0.00 175.35 173.65 3kpi s GLU 250 N -2.85 1.79 0.08 1.78 2.02 -1.26 -1.18 118.70 119.08 3kpi s GLU 250 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 53.81 3kpi s GLU 250 Cb -0.01 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 3kpi s GLU 250 CO -0.06 0.47 -0.12 -1.64 0.02 0.00 0.00 175.26 173.92 3kpi s MET 251 N -2.27 0.83 -0.17 1.61 -1.94 0.19 -5.00 119.30 112.55 3kpi s MET 251 Ca 0.19 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 3kpi s MET 251 Cb -0.10 -0.68 0.04 0.00 2.01 0.00 0.00 34.83 36.09 3kpi s MET 251 CO 0.11 0.13 -0.09 0.08 -0.01 0.00 0.00 175.02 175.24 3kpi s VAL 252 N -1.80 1.38 -0.21 -6.03 1.01 -1.26 -1.15 120.40 112.33 3kpi s VAL 252 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3kpi s VAL 252 Cb -0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3kpi s VAL 252 CO 0.01 0.23 -0.06 -0.76 0.00 0.00 0.00 175.10 174.53 3kpi s LEU 253 N 1.53 2.82 0.37 3.92 1.43 0.08 -4.93 118.68 123.90 3kpi s LEU 253 Ca 0.01 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.43 3kpi s LEU 253 Cb -0.15 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 3kpi s LEU 253 CO -0.09 -0.01 1.34 -2.16 0.23 0.00 0.00 176.35 175.66 3kpi s PRO 254 N 1.40 4.17 -0.09 1.29 0.04 -1.26 -0.06 135.00 140.49 3kpi s PRO 254 Ca 0.05 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 3kpi s PRO 254 Cb -0.14 -2.94 0.03 0.00 0.04 0.00 0.00 34.50 31.49 3kpi s PRO 254 CO -0.04 -0.36 -0.01 0.08 0.04 0.00 0.00 177.00 176.72 3kpi s VAL 255 N -1.18 0.51 -0.16 -0.36 1.01 0.32 -4.68 120.40 115.86 3kpi s VAL 255 Ca 0.52 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 3kpi s VAL 255 Cb -0.40 -0.68 -0.23 0.00 0.00 0.00 0.00 36.38 35.07 3kpi s VAL 255 CO 0.53 0.23 0.25 1.17 0.00 0.00 0.00 175.10 177.28 3kpi n LYS 256 N 5.10 0.69 -4.15 2.72 3.00 -0.20 -4.75 118.16 120.58 3kpi n LYS 256 Ca -0.08 0.34 -0.22 0.00 -0.00 0.00 0.00 58.31 58.35 3kpi n LYS 256 Cb 0.50 -1.70 -0.17 0.00 0.00 0.00 0.00 35.03 33.67 3kpi n LYS 256 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3kpi s PHE 257 N -2.50 0.96 0.04 5.64 2.19 -1.01 -4.89 117.98 118.40 3kpi s PHE 257 Ca -0.26 -0.33 -0.02 0.00 0.33 0.00 0.00 56.93 56.65 3kpi s PHE 257 Cb 0.07 -0.83 -0.03 0.00 -1.31 0.00 0.00 43.02 40.92 3kpi s PHE 257 CO 0.70 -0.27 0.00 0.20 1.83 0.00 0.00 175.22 177.68 3kpi s GLY 258 N 1.12 0.33 -0.24 13.12 0.00 -0.94 -1.88 107.32 118.83 3kpi s GLY 258 Ca -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 3kpi s GLY 258 CO -0.01 -0.97 0.42 -0.29 0.00 0.00 0.00 173.10 172.25 3kpi s MET 259 N -2.91 0.38 -0.11 2.90 0.00 -0.69 0.45 119.30 119.32 3kpi s MET 259 Ca -0.02 0.73 0.04 0.00 0.00 0.00 0.00 55.69 56.43 3kpi s MET 259 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 34.83 34.71 3kpi s MET 259 CO -0.06 -0.54 -0.23 -1.64 0.00 0.00 0.00 175.02 172.54 3kpi s MET 260 N 2.61 2.99 0.02 4.11 -1.94 -1.05 -0.99 119.30 125.05 3kpi s MET 260 Ca 0.10 -0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 52.93 3kpi s MET 260 Cb -0.15 -2.29 -0.08 0.00 2.01 0.00 0.00 34.83 34.33 3kpi s MET 260 CO -0.16 0.13 1.86 0.42 -0.01 0.00 0.00 175.02 177.27 3kpi s ILE 261 N 0.45 3.16 0.76 2.53 -1.09 0.14 -4.75 121.20 122.41 3kpi s ILE 261 Ca -0.16 0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.37 3kpi s ILE 261 Cb -0.17 -3.15 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3kpi s ILE 261 CO 0.07 -0.02 1.10 -2.16 -1.23 0.00 0.00 174.94 172.70 3kpi s PRO 262 N 4.22 2.41 0.60 2.79 0.04 -1.26 -0.78 135.00 143.02 3kpi s PRO 262 Ca 0.83 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 3kpi s PRO 262 Cb -0.40 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3kpi s PRO 262 CO 0.38 -1.37 1.14 0.00 0.04 0.00 0.00 177.00 177.18 3kpi s ALA 263 N -3.26 2.57 -0.11 8.56 0.00 -1.26 -4.52 121.76 123.74 3kpi s ALA 263 Ca 0.60 0.75 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 3kpi s ALA 263 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3kpi s ALA 263 CO 0.53 -1.05 0.08 -0.06 0.00 0.00 0.00 175.76 175.26 3kpi s PHE 264 N -1.96 3.40 0.35 0.00 0.08 -1.26 -1.29 117.98 117.30 3kpi s PHE 264 Ca 0.71 0.38 0.04 0.00 0.12 0.00 0.00 56.93 58.18 3kpi s PHE 264 Cb -0.24 -1.88 -0.06 0.00 -0.57 0.00 0.00 43.02 40.28 3kpi s PHE 264 CO 0.34 0.61 0.07 0.15 -0.10 0.00 0.00 175.22 176.28 3kpi s LYS 265 N -0.93 1.73 0.38 0.44 1.02 0.32 -4.91 119.74 117.78 3kpi s LYS 265 Ca 0.14 -1.98 -0.26 0.00 0.02 0.00 0.00 55.97 53.89 3kpi s LYS 265 Cb -0.12 -0.88 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 3kpi s LYS 265 CO 0.03 -0.24 1.13 0.20 -0.92 0.00 0.00 175.35 175.55 3kpi s GLY 266 N -3.53 2.87 0.66 -3.33 0.00 -0.10 0.11 107.32 104.01 3kpi s GLY 266 Ca 0.33 0.89 -0.17 0.00 0.00 0.00 0.00 44.72 45.77 3kpi s GLY 266 CO 0.15 1.40 1.24 -1.34 0.00 0.00 0.00 173.10 174.55 3kpi s VAL 267 N -1.43 2.30 0.21 1.40 -7.23 -1.26 -4.53 120.40 109.87 3kpi s VAL 267 Ca 0.55 0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.81 3kpi s VAL 267 Cb -0.29 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 33.85 3kpi s VAL 267 CO 0.36 -0.05 1.78 -0.65 -0.31 0.00 0.00 175.10 176.23 3kpi h PRO 268 N 0.36 0.58 -0.78 4.82 0.11 -1.96 0.13 132.00 135.26 3kpi h PRO 268 Ca -0.50 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.62 3kpi h PRO 268 Cb 1.31 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3kpi h PRO 268 CO 0.53 0.38 0.51 0.00 -0.21 0.00 0.00 178.00 179.21 3kpi h ALA 269 N 1.39 1.57 0.14 -0.75 0.00 -1.82 0.15 119.26 119.93 3kpi h ALA 269 Ca 0.32 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 3kpi h ALA 269 Cb 0.29 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kpi h ALA 269 CO -0.23 0.33 -0.83 0.28 0.00 0.00 0.00 179.25 178.79 3kpi h VAL 270 N 0.91 1.50 -0.22 0.00 2.07 -1.78 -3.33 116.25 115.40 3kpi h VAL 270 Ca 0.32 -2.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 3kpi h VAL 270 Cb 0.12 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3kpi h VAL 270 CO -0.10 0.72 -0.06 0.00 0.02 0.00 0.00 177.57 178.14 3kpi h ALA 271 N 0.07 1.50 0.00 1.67 0.00 -0.39 -1.73 119.26 120.38 3kpi h ALA 271 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kpi h ALA 271 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3kpi h ALA 271 CO 0.15 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3kpi n GLY 272 N -0.94 -0.52 3.58 0.00 0.00 0.47 -4.69 105.19 103.09 3kpi n GLY 272 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3kpi n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpi s VAL 273 N -2.00 4.60 -0.00 1.61 1.01 -0.65 -4.96 120.40 120.00 3kpi s VAL 273 Ca 0.23 0.89 -0.36 0.00 0.00 0.00 0.00 61.98 62.74 3kpi s VAL 273 Cb 0.11 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 3kpi s VAL 273 CO 0.18 -0.62 1.57 1.21 0.00 0.00 0.00 175.10 177.44 3kpi n GLU 274 N 6.79 1.56 -0.55 2.72 0.00 -1.26 -1.55 120.64 128.35 3kpi n GLU 274 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.78 3kpi n GLU 274 Cb 0.48 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.64 3kpi n GLU 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kpi n GLY 275 N 3.40 1.50 0.18 8.31 0.00 -1.26 -4.87 105.19 112.44 3kpi n GLY 275 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 3kpi n GLY 275 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpi h LEU 276 N 0.00 0.60 -9.32 0.99 5.85 -1.63 -3.43 115.31 108.36 3kpi h LEU 276 Ca 0.00 -0.43 -0.55 0.00 0.84 0.00 0.00 57.88 57.74 3kpi h LEU 276 Cb 0.00 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 40.71 3kpi h LEU 276 CO 0.00 1.20 -0.65 0.00 -0.34 0.00 0.00 178.44 178.65 3kpi s ASN 278 N -3.54 3.04 0.57 0.00 2.20 -0.20 -4.86 114.94 112.14 3kpi s ASN 278 Ca 0.32 0.29 0.25 0.00 -0.94 0.00 0.00 52.86 52.78 3kpi s ASN 278 Cb 0.05 -0.34 1.64 0.00 -2.00 0.00 0.00 41.25 40.59 3kpi s ASN 278 CO 0.15 -2.78 2.22 -0.65 -2.94 0.00 0.00 177.10 173.09 3kpi h PRO 279 N -1.68 0.00 0.00 3.55 0.11 -2.01 0.97 132.00 132.94 3kpi h PRO 279 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kpi h PRO 279 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kpi h PRO 279 CO 0.38 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.58 3kpi n GLY 280 N -1.40 -1.17 1.12 -0.55 0.00 -1.26 -4.90 105.19 97.03 3kpi n GLY 280 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kpi n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpi n GLY 281 N 0.57 0.67 3.83 -0.02 0.00 0.33 -0.92 105.19 109.65 3kpi n GLY 281 Ca 0.05 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3kpi n GLY 281 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kpi s PHE 282 N -2.00 3.69 -0.01 1.61 0.08 -1.26 -3.70 117.98 116.39 3kpi s PHE 282 Ca 0.00 0.93 -0.30 0.00 0.12 0.00 0.00 56.93 57.68 3kpi s PHE 282 Cb 0.00 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 3kpi s PHE 282 CO 0.00 0.60 1.40 0.08 -0.10 0.00 0.00 175.22 177.20 3kpi s VAL 283 N -0.89 3.76 -0.39 -0.44 1.01 0.40 -1.04 120.40 122.81 3kpi s VAL 283 Ca 0.23 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 3kpi s VAL 283 Cb -0.16 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3kpi s VAL 283 CO 0.12 -0.01 1.25 -0.76 0.00 0.00 0.00 175.10 175.69 3kpi s LEU 284 N 2.54 3.72 0.30 3.92 1.43 -0.55 -0.56 118.68 129.49 3kpi s LEU 284 Ca 0.63 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.67 3kpi s LEU 284 Cb -0.31 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 3kpi s LEU 284 CO 0.26 -1.21 -0.15 0.68 0.23 0.00 0.00 176.35 176.16 3kpi s VAL 285 N 4.59 2.27 0.21 -1.59 -7.23 -1.26 -1.16 120.40 116.23 3kpi s VAL 285 Ca 0.53 -2.30 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3kpi s VAL 285 Cb -0.12 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.44 3kpi s VAL 285 CO 0.27 -0.33 0.29 -0.90 -0.31 0.00 0.00 175.10 174.13 3kpi n ASP 286 N -0.66 0.38 0.00 4.85 3.85 -0.23 -4.82 116.55 119.91 3kpi n ASP 286 Ca -0.05 -1.32 0.09 0.00 -0.71 0.00 0.00 54.79 52.79 3kpi n ASP 286 Cb 0.62 -0.19 0.47 0.00 -1.35 0.00 0.00 41.12 40.66 3kpi n ASP 286 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3kpi n GLU 287 N -1.55 0.28 -0.51 0.11 0.28 -1.26 -1.72 120.64 116.27 3kpi n GLU 287 Ca 0.05 0.11 0.10 0.00 -0.16 0.00 0.00 57.16 57.25 3kpi n GLU 287 Cb 0.17 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 31.87 3kpi n GLU 287 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kpi n HIS 288 N -1.27 1.26 -0.98 -1.84 8.25 -1.26 -3.67 115.22 115.71 3kpi n HIS 288 Ca 0.09 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3kpi n HIS 288 Cb 0.14 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3kpi n HIS 288 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kpi n GLN 289 N 1.14 -0.97 -3.20 -0.41 1.13 -0.70 -4.53 117.38 109.83 3kpi n GLN 289 Ca 0.24 0.24 -0.39 0.00 -1.94 0.00 0.00 57.00 55.16 3kpi n GLN 289 Cb 0.79 -4.02 -0.06 0.00 0.11 0.00 0.00 30.24 27.06 3kpi n GLN 289 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kpi s ARG 290 N -1.02 4.31 0.36 -1.09 3.52 -1.26 -1.60 118.95 122.18 3kpi s ARG 290 Ca 0.00 0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 56.09 3kpi s ARG 290 Cb 0.00 -3.32 -0.12 0.00 -1.56 0.00 0.00 34.95 29.95 3kpi s ARG 290 CO 0.00 0.42 1.34 0.45 -0.81 0.00 0.00 175.30 176.70 3kpi n SER 291 N 2.51 2.99 0.25 -2.12 2.88 0.86 -1.07 113.62 119.91 3kpi n SER 291 Ca -0.07 1.20 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 3kpi n SER 291 Cb 0.51 -1.52 0.48 0.00 -0.75 0.00 0.00 64.21 62.93 3kpi n SER 291 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kpi h LYS 292 N 2.58 0.00 0.04 -1.46 1.57 -1.46 -3.33 116.57 114.51 3kpi h LYS 292 Ca -0.47 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.95 3kpi h LYS 292 Cb 1.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 3kpi h LYS 292 CO 0.62 0.07 -1.99 1.17 -0.57 0.00 0.00 179.45 178.76 3kpi n LYS 293 N -3.16 0.65 -4.03 3.15 3.00 -1.26 -4.87 118.16 111.63 3kpi n LYS 293 Ca 0.01 0.33 -0.33 0.00 -0.00 0.00 0.00 58.31 58.33 3kpi n LYS 293 Cb 0.41 -1.64 -0.15 0.00 0.00 0.00 0.00 35.03 33.65 3kpi n LYS 293 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3kpi s TYR 294 N -2.48 3.16 0.66 5.64 1.51 -1.25 -4.98 117.35 119.60 3kpi s TYR 294 Ca -0.30 -2.01 0.40 0.00 -1.01 0.00 0.00 57.07 54.15 3kpi s TYR 294 Cb 0.08 -1.98 2.19 0.00 -0.11 0.00 0.00 41.96 42.15 3kpi s TYR 294 CO 0.63 -0.83 2.26 0.00 -1.11 0.00 0.00 175.55 176.50 3kpi h ALA 295 N 7.88 1.14 -0.62 3.71 0.00 -1.90 -1.27 119.26 128.21 3kpi h ALA 295 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kpi h ALA 295 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kpi h ALA 295 CO 0.52 -0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.95 3kpi n ASN 296 N -3.12 3.84 -4.32 0.00 2.04 -1.26 -4.88 115.26 107.56 3kpi n ASN 296 Ca -0.03 -2.10 -0.33 0.00 -0.44 0.00 0.00 54.58 51.69 3kpi n ASN 296 Cb 0.15 -0.44 -0.15 0.00 -2.53 0.00 0.00 39.78 36.81 3kpi n ASN 296 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kpi s ILE 297 N -1.18 2.97 0.40 1.53 1.01 -0.48 -1.62 121.20 123.83 3kpi s ILE 297 Ca 0.43 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.48 3kpi s ILE 297 Cb 0.24 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 3kpi s ILE 297 CO 0.27 0.50 0.11 -0.36 0.00 0.00 0.00 174.94 175.47 3kpi s PHE 298 N 0.72 2.58 -0.04 3.97 0.08 0.94 -0.10 117.98 126.13 3kpi s PHE 298 Ca -0.06 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.24 3kpi s PHE 298 Cb -0.15 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3kpi s PHE 298 CO 0.02 0.30 0.41 0.00 -0.10 0.00 0.00 175.22 175.85 3kpi s ALA 299 N -2.60 -1.04 0.08 5.36 0.00 -0.63 0.36 121.76 123.29 3kpi s ALA 299 Ca 0.38 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3kpi s ALA 299 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 3kpi s ALA 299 CO 0.21 -0.28 0.17 0.00 0.00 0.00 0.00 175.76 175.87 3kpi s ALA 300 N -1.10 -0.17 0.00 0.00 0.00 -0.01 -4.80 121.76 115.68 3kpi s ALA 300 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3kpi s ALA 300 Cb -0.04 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3kpi s ALA 300 CO 0.05 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3kpi n GLY 301 N -0.03 -1.62 0.34 0.00 0.00 -1.26 -4.05 105.19 98.57 3kpi n GLY 301 Ca -0.15 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.48 3kpi n GLY 301 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpi h ILE 302 N 0.00 0.68 0.00 -0.61 2.04 -1.89 -2.68 117.51 115.05 3kpi h ILE 302 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kpi h ILE 302 Cb 0.00 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3kpi h ILE 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3kpi h ALA 303 N 1.78 1.00 -2.30 1.87 0.00 -1.72 -3.44 119.26 116.45 3kpi h ALA 303 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.56 3kpi h ALA 303 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kpi h ALA 303 CO -0.00 0.00 0.20 0.96 0.00 0.00 0.00 179.25 180.41 3kpi s ILE 304 N -3.95 4.76 -0.07 0.00 -4.36 -1.01 -0.45 121.20 116.12 3kpi s ILE 304 Ca -0.03 0.66 -0.23 0.00 -0.26 0.00 0.00 60.65 60.80 3kpi s ILE 304 Cb 0.11 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 3kpi s ILE 304 CO 0.43 -0.71 0.67 0.00 0.24 0.00 0.00 174.94 175.57 3kpi s ALA 305 N -2.61 3.36 -0.20 2.27 0.00 0.28 -4.61 121.76 120.25 3kpi s ALA 305 Ca 0.52 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 3kpi s ALA 305 Cb -0.10 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3kpi s ALA 305 CO 0.37 -0.08 -0.04 0.42 0.00 0.00 0.00 175.76 176.43 3kpi s ILE 306 N 0.75 1.24 0.31 0.00 1.01 -1.26 -4.72 121.20 118.53 3kpi s ILE 306 Ca 0.36 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 3kpi s ILE 306 Cb -0.17 -1.50 -0.13 0.00 0.01 0.00 0.00 42.46 40.67 3kpi s ILE 306 CO 0.17 -0.01 1.29 -2.65 0.00 0.00 0.00 174.94 173.73 3kpi n PRO 307 N 4.80 2.02 -1.82 2.79 -0.02 -1.26 -4.95 135.00 136.56 3kpi n PRO 307 Ca -0.12 0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 3kpi n PRO 307 Cb 0.46 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 3kpi n PRO 307 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kpi s PRO 308 N -1.48 3.01 0.00 0.52 0.02 -1.26 -4.93 135.00 130.88 3kpi s PRO 308 Ca 0.59 2.13 0.15 0.00 0.02 0.00 0.00 61.00 63.90 3kpi s PRO 308 Cb -0.60 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 31.81 3kpi s PRO 308 CO 0.59 -1.26 0.87 1.33 -0.33 0.00 0.00 177.00 178.20 3kpi n VAL 309 N -1.27 0.00 -3.74 3.83 0.24 -1.26 -5.02 118.33 111.11 3kpi n VAL 309 Ca 0.12 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 3kpi n VAL 309 Cb 0.46 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 3kpi n VAL 309 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kpi s GLU 310 N -1.67 1.44 0.11 7.34 2.12 -1.26 -5.06 118.70 121.72 3kpi s GLU 310 Ca 0.14 -0.87 0.07 0.00 0.36 0.00 0.00 54.97 54.68 3kpi s GLU 310 Cb 0.12 0.54 -0.04 0.00 0.26 0.00 0.00 34.13 35.02 3kpi s GLU 310 CO 0.33 -0.62 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.17 3kpi s THR 311 N -3.88 1.55 0.16 -1.70 -1.32 -1.26 -5.06 115.64 104.14 3kpi s THR 311 Ca 0.09 -1.61 0.08 0.00 -1.21 0.00 0.00 61.69 59.04 3kpi s THR 311 Cb -0.02 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 3kpi s THR 311 CO -0.02 -0.21 -0.16 0.42 -2.21 0.00 0.00 174.62 172.44 3kpi s THR 312 N -1.55 1.66 0.22 5.08 -4.23 -1.26 -5.06 115.64 110.50 3kpi s THR 312 Ca 0.07 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3kpi s THR 312 Cb -0.08 -1.81 0.16 0.00 1.34 0.00 0.00 72.50 72.12 3kpi s THR 312 CO 0.04 -0.41 1.74 -0.65 -0.54 0.00 0.00 174.62 174.80 3kpi h PRO 313 N 3.17 0.40 -5.42 3.99 0.11 -1.90 -3.32 132.00 129.02 3kpi h PRO 313 Ca -0.41 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 3kpi h PRO 313 Cb 1.21 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3kpi h PRO 313 CO 0.53 0.27 -0.48 0.08 -0.21 0.00 0.00 178.00 178.19 3kpi s VAL 314 N -6.08 5.45 0.16 3.15 1.01 -1.26 -4.77 120.40 118.06 3kpi s VAL 314 Ca -0.13 0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.72 3kpi s VAL 314 Cb 0.18 -3.44 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 3kpi s VAL 314 CO 0.75 0.51 1.41 -2.65 0.00 0.00 0.00 175.10 175.12 3kpi n PRO 315 N 2.88 1.71 -4.21 2.72 -0.02 -1.25 -4.86 135.00 131.98 3kpi n PRO 315 Ca -0.18 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 3kpi n PRO 315 Cb 0.53 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3kpi n PRO 315 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kpi s THR 316 N 0.40 0.42 0.31 3.45 -4.23 -1.26 0.25 115.64 114.99 3kpi s THR 316 Ca 0.77 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 3kpi s THR 316 Cb -0.77 -2.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 3kpi s THR 316 CO 0.45 -0.45 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.23 3kpi s GLY 317 N -3.13 1.98 -0.02 3.99 0.00 0.14 -4.88 107.32 105.41 3kpi s GLY 317 Ca 0.25 -1.99 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 3kpi s GLY 317 CO 0.03 -1.87 0.33 0.00 0.00 0.00 0.00 173.10 171.59 3kpi s ALA 318 N -3.02 3.76 0.49 3.20 0.00 -1.26 -4.24 121.76 120.69 3kpi s ALA 318 Ca 0.32 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 3kpi s ALA 318 Cb 0.05 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 3kpi s ALA 318 CO 0.14 0.54 1.04 -1.25 0.00 0.00 0.00 175.76 176.22 3kpi s PRO 319 N -1.20 3.79 -0.28 0.00 0.04 -1.12 -4.89 135.00 131.34 3kpi s PRO 319 Ca 0.23 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 3kpi s PRO 319 Cb -0.15 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3kpi s PRO 319 CO 0.12 -0.44 0.01 0.15 0.04 0.00 0.00 177.00 176.88 3kpi s LYS 320 N -3.29 2.84 0.49 4.56 1.02 -1.26 -4.91 119.74 119.19 3kpi s LYS 320 Ca 0.67 -1.00 0.04 0.00 0.02 0.00 0.00 55.97 55.70 3kpi s LYS 320 Cb -0.16 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3kpi s LYS 320 CO 0.21 -0.47 0.13 0.95 -0.92 0.00 0.00 175.35 175.25 3kpi s THR 321 N 1.38 1.62 0.11 2.17 -4.23 -1.26 -4.82 115.64 110.61 3kpi s THR 321 Ca -0.00 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.48 3kpi s THR 321 Cb -0.18 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 3kpi s THR 321 CO -0.01 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 177.02 3kpi h GLY 322 N 1.28 0.08 1.01 3.99 0.00 -1.96 -0.96 103.07 106.50 3kpi h GLY 322 Ca -0.42 0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3kpi h GLY 322 CO 0.70 -0.04 0.35 -1.82 0.00 0.00 0.00 176.54 175.73 3kpi h TYR 323 N -0.00 0.67 -0.17 5.60 3.20 -1.92 0.49 116.97 124.83 3kpi h TYR 323 Ca 0.06 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 3kpi h TYR 323 Cb 0.09 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3kpi h TYR 323 CO -0.16 0.42 -0.40 1.98 -1.64 0.00 0.00 178.16 178.36 3kpi h MET 324 N 0.72 0.39 -0.33 1.82 4.05 -1.72 -1.34 114.93 118.52 3kpi h MET 324 Ca 0.19 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3kpi h MET 324 Cb -0.08 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3kpi h MET 324 CO -0.04 0.73 0.12 0.82 0.23 0.00 0.00 176.91 178.77 3kpi h ILE 325 N 0.33 1.19 -0.20 1.77 2.04 -0.43 -0.77 117.51 121.45 3kpi h ILE 325 Ca 0.03 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3kpi h ILE 325 Cb 0.85 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3kpi h ILE 325 CO 0.07 0.21 -0.17 -0.33 0.00 0.00 0.00 178.15 177.92 3kpi h GLU 326 N 0.39 0.33 -0.51 2.37 4.39 -0.61 -0.10 114.58 120.84 3kpi h GLU 326 Ca 0.11 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3kpi h GLU 326 Cb 0.21 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3kpi h GLU 326 CO -0.01 0.51 0.06 1.03 -1.16 0.00 0.00 179.01 179.43 3kpi h SER 327 N 0.31 0.77 -0.33 1.42 0.87 -0.89 -0.94 113.55 114.76 3kpi h SER 327 Ca 0.06 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 3kpi h SER 327 Cb 0.49 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3kpi h SER 327 CO 0.03 0.80 -0.09 0.24 -0.53 0.00 0.00 176.83 177.28 3kpi h MET 328 N 0.77 0.65 -0.03 2.24 2.86 0.39 -2.30 114.93 119.51 3kpi h MET 328 Ca 0.16 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3kpi h MET 328 Cb 0.38 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3kpi h MET 328 CO 0.01 0.83 -0.05 0.28 1.06 0.00 0.00 176.91 179.04 3kpi h VAL 329 N 0.42 0.85 -0.71 -2.22 2.07 -0.79 -0.45 116.25 115.42 3kpi h VAL 329 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3kpi h VAL 329 Cb 0.60 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3kpi h VAL 329 CO 0.04 0.00 0.42 -1.28 0.02 0.00 0.00 177.57 176.77 3kpi h SER 330 N -0.08 0.66 -0.61 0.57 0.87 -1.15 0.71 113.55 114.51 3kpi h SER 330 Ca 0.03 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3kpi h SER 330 Cb 0.12 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3kpi h SER 330 CO -0.08 0.43 -0.00 0.00 -0.53 0.00 0.00 176.83 176.65 3kpi h ALA 331 N 1.34 0.83 -0.46 6.23 0.00 -1.11 -1.59 119.26 124.50 3kpi h ALA 331 Ca 0.31 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kpi h ALA 331 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kpi h ALA 331 CO -0.16 0.67 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3kpi h ALA 332 N 0.99 0.61 -0.18 0.00 0.00 -0.10 0.11 119.26 120.68 3kpi h ALA 332 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kpi h ALA 332 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kpi h ALA 332 CO 0.03 0.26 0.09 0.28 0.00 0.00 0.00 179.25 179.91 3kpi h VAL 333 N 0.61 1.11 -0.27 0.00 2.07 -0.78 -0.25 116.25 118.75 3kpi h VAL 333 Ca 0.15 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kpi h VAL 333 Cb 0.26 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3kpi h VAL 333 CO -0.01 0.11 0.13 -0.74 0.02 0.00 0.00 177.57 177.08 3kpi h HIS 334 N 0.18 0.24 0.00 1.57 6.17 -1.09 -1.76 115.15 120.46 3kpi h HIS 334 Ca 0.06 0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.07 3kpi h HIS 334 Cb 0.09 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 3kpi h HIS 334 CO -0.03 0.13 -0.39 -0.91 0.71 0.00 0.00 177.93 177.44 3kpi h ASN 335 N 0.28 0.00 -0.19 3.26 -0.26 -0.48 -0.70 115.58 117.49 3kpi h ASN 335 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.74 3kpi h ASN 335 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3kpi h ASN 335 CO -0.08 0.39 -0.33 0.40 -1.06 0.00 0.00 177.43 176.74 3kpi h ILE 336 N 0.00 1.34 -0.39 2.81 2.04 -0.84 -1.11 117.51 121.36 3kpi h ILE 336 Ca -0.00 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.33 3kpi h ILE 336 Cb 0.85 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3kpi h ILE 336 CO 0.05 0.48 0.17 0.50 0.00 0.00 0.00 178.15 179.35 3kpi h LYS 337 N 0.22 0.35 -0.24 2.37 3.64 -0.98 -1.20 116.57 120.72 3kpi h LYS 337 Ca 0.01 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3kpi h LYS 337 Cb 0.92 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 3kpi h LYS 337 CO 0.08 0.23 -0.16 0.00 -2.27 0.00 0.00 179.45 177.33 3kpi h ALA 338 N 1.22 0.01 -0.90 5.00 0.00 -1.04 -1.83 119.26 121.73 3kpi h ALA 338 Ca 0.17 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.34 3kpi h ALA 338 Cb 0.11 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 3kpi h ALA 338 CO -0.14 -0.57 0.48 -0.44 0.00 0.00 0.00 179.25 178.58 3kpi h ASP 339 N -0.15 0.57 -0.22 0.00 5.19 -0.55 0.13 116.42 121.40 3kpi h ASP 339 Ca 0.13 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 3kpi h ASP 339 Cb 0.35 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 3kpi h ASP 339 CO -0.33 0.20 0.08 -0.07 -3.12 0.00 0.00 179.24 176.00 3kpi h LEU 340 N 0.63 0.37 -2.69 1.55 3.38 -0.43 -2.04 115.31 116.08 3kpi h LEU 340 Ca 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3kpi h LEU 340 Cb 0.79 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kpi h LEU 340 CO -0.40 0.38 0.00 -0.62 0.09 0.00 0.00 178.44 177.89 3kpi n GLU 341 N -4.38 3.57 -1.18 1.13 1.02 0.38 -4.91 120.64 116.26 3kpi n GLU 341 Ca 0.01 -2.14 -0.06 0.00 -0.02 0.00 0.00 57.16 54.95 3kpi n GLU 341 Cb 0.16 -1.98 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 3kpi n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpi n GLY 342 N 0.49 0.81 3.74 0.62 0.00 -0.77 -5.01 105.19 105.07 3kpi n GLY 342 Ca 0.19 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3kpi n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpi s ARG 343 N -2.13 2.45 -0.15 1.61 0.52 -0.70 -5.00 118.95 115.55 3kpi s ARG 343 Ca 0.00 -1.45 -0.18 0.00 -0.52 0.00 0.00 55.73 53.58 3kpi s ARG 343 Cb 0.00 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 3kpi s ARG 343 CO 0.00 0.18 0.47 0.21 0.02 0.00 0.00 175.30 176.19 3kpi s LYS 344 N -3.83 4.28 0.15 3.54 2.20 -1.26 -2.99 119.74 121.83 3kpi s LYS 344 Ca 0.36 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 3kpi s LYS 344 Cb -0.04 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 3kpi s LYS 344 CO 0.23 0.06 1.00 0.20 -0.36 0.00 0.00 175.35 176.48 3kpi s GLY 345 N 0.80 2.97 0.00 5.54 0.00 -1.26 -4.95 107.32 110.43 3kpi s GLY 345 Ca 0.24 0.65 0.09 0.00 0.00 0.00 0.00 44.72 45.71 3kpi s GLY 345 CO 0.10 1.48 0.90 1.18 0.00 0.00 0.00 173.10 176.75 3kpi n GLU 346 N 2.47 0.95 -2.23 2.90 -0.58 -1.26 -4.94 120.64 117.95 3kpi n GLU 346 Ca 0.02 -1.27 -0.39 0.00 -0.42 0.00 0.00 57.16 55.09 3kpi n GLU 346 Cb 0.48 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 3kpi n GLU 346 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpi s GLN 347 N -0.81 4.23 0.41 3.49 0.74 -1.26 -4.99 119.66 121.47 3kpi s GLN 347 Ca 0.13 2.00 0.05 0.00 0.05 0.00 0.00 55.36 57.58 3kpi s GLN 347 Cb 0.08 -2.89 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 3kpi s GLN 347 CO 0.12 -0.22 0.03 0.95 -0.55 0.00 0.00 175.29 175.61 3kpi s THR 348 N -1.27 1.57 0.43 -0.34 -4.23 -1.26 -4.38 115.64 106.16 3kpi s THR 348 Ca 0.52 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3kpi s THR 348 Cb -0.35 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 70.96 3kpi s THR 348 CO 0.45 0.00 2.01 -0.03 -0.54 0.00 0.00 174.62 176.51 3kpi h MET 349 N 1.75 0.21 0.00 3.99 4.05 -1.80 -3.43 114.93 119.70 3kpi h MET 349 Ca -0.43 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3kpi h MET 349 Cb 1.26 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3kpi h MET 349 CO 0.76 0.26 0.00 0.41 0.23 0.00 0.00 176.91 178.57 3kpi n GLY 350 N -1.16 -1.57 3.73 1.39 0.00 -1.26 -4.70 105.19 101.63 3kpi n GLY 350 Ca -0.01 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 3kpi n GLY 350 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpi s THR 351 N 0.00 3.84 0.40 2.61 2.01 -1.26 -4.97 115.64 118.27 3kpi s THR 351 Ca 0.00 1.49 -0.25 0.00 0.31 0.00 0.00 61.69 63.24 3kpi s THR 351 Cb 0.00 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 3kpi s THR 351 CO 0.00 0.21 1.12 1.87 -0.69 0.00 0.00 174.62 177.13 3kpi n TRP 352 N 2.86 1.61 -3.50 4.92 -0.00 -1.26 -4.99 117.44 117.07 3kpi n TRP 352 Ca 0.05 0.55 -0.13 0.00 -0.00 0.00 0.00 57.50 57.97 3kpi n TRP 352 Cb 0.46 -2.30 -0.04 0.00 -0.00 0.00 0.00 31.31 29.44 3kpi n TRP 352 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3kpi s ASN 353 N -0.62 -0.50 -0.03 5.87 4.22 -1.26 -4.32 114.94 118.31 3kpi s ASN 353 Ca 0.61 0.07 0.04 0.00 -2.14 0.00 0.00 52.86 51.45 3kpi s ASN 353 Cb -0.55 0.55 -0.00 0.00 1.28 0.00 0.00 41.25 42.52 3kpi s ASN 353 CO 0.58 -0.85 -0.15 0.00 -2.04 0.00 0.00 177.10 174.64 3kpi s ALA 354 N -3.16 1.27 -0.03 3.54 0.00 -0.11 -4.66 121.76 118.62 3kpi s ALA 354 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 3kpi s ALA 354 Cb -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3kpi s ALA 354 CO -0.08 0.26 0.02 0.08 0.00 0.00 0.00 175.76 176.04 3kpi s VAL 355 N -0.07 0.08 -0.07 0.00 1.01 -1.26 -1.19 120.40 118.90 3kpi s VAL 355 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 3kpi s VAL 355 Cb -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3kpi s VAL 355 CO 0.01 0.14 0.19 0.00 0.00 0.00 0.00 175.10 175.44 3kpi s PHE 357 N 0.21 2.14 -0.19 0.00 0.08 -1.26 -1.27 117.98 117.69 3kpi s PHE 357 Ca -0.01 -1.14 -0.01 0.00 0.12 0.00 0.00 56.93 55.88 3kpi s PHE 357 Cb -0.02 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 3kpi s PHE 357 CO -0.01 -0.61 -0.11 0.00 -0.10 0.00 0.00 175.22 174.39 3kpi s ALA 358 N 1.31 2.60 -0.24 5.36 0.00 0.12 -5.00 121.76 125.91 3kpi s ALA 358 Ca 0.01 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3kpi s ALA 358 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3kpi s ALA 358 CO -0.08 -0.29 0.12 0.34 0.00 0.00 0.00 175.76 175.86 3kpi s ASP 359 N 1.23 5.75 0.00 0.00 -1.08 -1.26 -0.92 116.67 120.38 3kpi s ASP 359 Ca 0.02 -0.00 0.18 0.00 -0.52 0.00 0.00 52.55 52.23 3kpi s ASP 359 Cb -0.14 -2.03 0.33 0.00 -1.46 0.00 0.00 42.92 39.61 3kpi s ASP 359 CO -0.05 0.04 1.25 0.23 0.52 0.00 0.00 175.17 177.16 3kpi n MET 360 N 4.45 2.18 0.00 4.34 2.81 -0.04 -4.96 117.12 125.90 3kpi n MET 360 Ca -0.15 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 3kpi n MET 360 Cb 0.52 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 3kpi n MET 360 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kpi n GLY 361 N 1.09 0.96 0.00 3.03 0.00 -1.26 -4.76 105.19 104.24 3kpi n GLY 361 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kpi n GLY 361 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kpi n ASP 362 N 0.00 1.15 -3.85 1.61 3.85 -1.26 -4.98 116.55 113.07 3kpi n ASP 362 Ca 0.00 -1.31 -0.10 0.00 -0.71 0.00 0.00 54.79 52.67 3kpi n ASP 362 Cb 0.00 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 3kpi n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kpi s ARG 363 N -0.31 1.15 0.14 0.11 1.70 -1.26 -4.35 118.95 116.12 3kpi s ARG 363 Ca 0.00 -1.00 -0.05 0.00 -0.47 0.00 0.00 55.73 54.21 3kpi s ARG 363 Cb 0.00 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.82 3kpi s ARG 363 CO 0.00 -0.44 0.28 0.41 -1.08 0.00 0.00 175.30 174.47 3kpi n GLY 364 N -0.22 1.66 3.23 3.88 0.00 -0.35 -0.86 105.19 112.53 3kpi n GLY 364 Ca -0.10 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3kpi n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpi s ALA 365 N -1.40 1.73 0.02 4.61 0.00 -0.09 -0.83 121.76 125.80 3kpi s ALA 365 Ca 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3kpi s ALA 365 Cb -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3kpi s ALA 365 CO 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 175.76 176.18 3kpi s ALA 366 N -0.56 0.29 0.05 0.00 0.00 -0.04 0.15 121.76 121.65 3kpi s ALA 366 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3kpi s ALA 366 Cb -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3kpi s ALA 366 CO -0.00 -0.05 -0.04 -0.59 0.00 0.00 0.00 175.76 175.08 3kpi s PHE 367 N -0.99 0.56 -0.05 0.00 -0.71 -0.40 -0.18 117.98 116.21 3kpi s PHE 367 Ca -0.09 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 54.96 3kpi s PHE 367 Cb -0.07 -0.37 0.03 0.00 -1.21 0.00 0.00 43.02 41.39 3kpi s PHE 367 CO -0.00 -0.25 -0.02 0.42 -1.34 0.00 0.00 175.22 174.03 3kpi s ILE 368 N -3.00 0.36 -0.03 -4.49 1.01 -0.26 -1.84 121.20 112.95 3kpi s ILE 368 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3kpi s ILE 368 Cb 0.01 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.05 3kpi s ILE 368 CO -0.06 0.21 -0.03 0.00 0.00 0.00 0.00 174.94 175.06 3kpi s ALA 369 N 1.27 0.51 -0.20 9.38 0.00 -0.33 -1.02 121.76 131.36 3kpi s ALA 369 Ca -0.06 -0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.62 3kpi s ALA 369 Cb -0.13 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.77 3kpi s ALA 369 CO -0.02 -0.00 0.93 -0.48 0.00 0.00 0.00 175.76 176.19 3kpi s LEU 370 N 0.75 -0.49 0.00 0.00 0.05 -0.61 -0.93 118.68 117.45 3kpi s LEU 370 Ca -0.09 0.76 0.00 0.00 0.05 0.00 0.00 54.13 54.85 3kpi s LEU 370 Cb -0.12 2.05 0.00 0.00 -2.05 0.00 0.00 46.19 46.06 3kpi s LEU 370 CO -0.00 -0.30 0.00 -0.81 -0.55 0.00 0.00 176.35 174.69 3kpi n PRO 371 N 1.56 1.71 -0.03 1.48 -0.04 -1.26 -0.49 135.00 137.93 3kpi n PRO 371 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.17 3kpi n PRO 371 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 3kpi n PRO 371 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kpi h GLN 372 N 0.00 0.72 -5.95 0.54 4.15 -1.88 -3.44 115.11 109.25 3kpi h GLN 372 Ca 0.00 -0.56 -0.61 0.00 0.77 0.00 0.00 58.65 58.25 3kpi h GLN 372 Cb 0.00 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 3kpi h GLN 372 CO 0.00 1.18 -0.23 -1.17 -1.93 0.00 0.00 178.83 176.68 3kpi s LEU 373 N -8.53 4.45 0.50 -2.39 2.96 -1.26 -4.97 118.68 109.45 3kpi s LEU 373 Ca -0.11 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 54.52 3kpi s LEU 373 Cb 0.08 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.15 3kpi s LEU 373 CO 0.88 0.31 1.00 -0.54 -1.32 0.00 0.00 176.35 176.68 3kpi s LYS 374 N -0.96 3.85 0.27 1.98 1.02 -1.26 -4.31 119.74 120.33 3kpi s LYS 374 Ca 0.23 1.14 -0.29 0.00 0.02 0.00 0.00 55.97 57.06 3kpi s LYS 374 Cb -0.16 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 3kpi s LYS 374 CO 0.12 -0.36 1.18 -1.25 -0.92 0.00 0.00 175.35 174.12 3kpi s PRO 375 N -3.68 4.53 0.26 -1.68 0.04 -1.26 -5.16 135.00 128.06 3kpi s PRO 375 Ca 0.62 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 3kpi s PRO 375 Cb -0.12 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3kpi s PRO 375 CO 0.26 0.03 0.49 1.03 0.04 0.00 0.00 177.00 178.84 3kpi s ARG 376 N -1.23 3.56 0.10 4.56 0.52 -1.26 -4.76 118.95 120.44 3kpi s ARG 376 Ca 0.48 -0.19 0.15 0.00 -0.52 0.00 0.00 55.73 55.65 3kpi s ARG 376 Cb -0.34 -2.73 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 3kpi s ARG 376 CO 0.43 0.28 0.98 0.87 0.02 0.00 0.00 175.30 177.88 3kpi h LYS 377 N 1.67 0.00 -3.36 3.54 1.57 -1.13 -3.45 116.57 115.40 3kpi h LYS 377 Ca -0.48 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.05 3kpi h LYS 377 Cb 1.19 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.19 3kpi h LYS 377 CO 0.66 0.44 -0.63 0.08 -0.57 0.00 0.00 179.45 179.43 3kpi s VAL 378 N -2.85 -0.04 -0.45 0.50 1.01 -0.86 -5.01 120.40 112.69 3kpi s VAL 378 Ca -0.01 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3kpi s VAL 378 Cb 0.08 -0.18 0.22 0.00 0.00 0.00 0.00 36.38 36.50 3kpi s VAL 378 CO 0.80 0.07 0.66 -0.67 0.00 0.00 0.00 175.10 175.95 3kpi n ASP 379 N 4.00 -1.71 -4.27 3.32 2.03 -1.23 -1.57 116.55 117.12 3kpi n ASP 379 Ca -0.24 -2.89 -0.32 0.00 0.52 0.00 0.00 54.79 51.85 3kpi n ASP 379 Cb 0.53 0.70 -0.16 0.00 -0.72 0.00 0.00 41.12 41.46 3kpi n ASP 379 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kpi s VAL 380 N 0.08 2.47 -0.16 5.18 1.01 -0.19 -3.43 120.40 125.36 3kpi s VAL 380 Ca 0.33 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3kpi s VAL 380 Cb 0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3kpi s VAL 380 CO -0.16 0.54 -0.16 0.12 0.00 0.00 0.00 175.10 175.44 3kpi s PHE 381 N 0.44 2.33 0.02 5.22 2.19 -1.26 -1.11 117.98 125.81 3kpi s PHE 381 Ca -0.14 -1.33 0.07 0.00 0.33 0.00 0.00 56.93 55.86 3kpi s PHE 381 Cb -0.17 -1.68 -0.02 0.00 -1.31 0.00 0.00 43.02 39.84 3kpi s PHE 381 CO 0.06 -0.70 -0.21 0.00 1.83 0.00 0.00 175.22 176.20 3kpi s ALA 382 N 1.43 1.73 -0.04 11.12 0.00 0.74 -4.65 121.76 132.09 3kpi s ALA 382 Ca 0.05 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3kpi s ALA 382 Cb -0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 3kpi s ALA 382 CO -0.11 0.40 -0.17 -0.47 0.00 0.00 0.00 175.76 175.42 3kpi s TYR 383 N -0.67 1.66 0.00 0.00 6.14 -1.26 -0.87 117.35 122.35 3kpi s TYR 383 Ca 0.08 -0.47 0.00 0.00 0.64 0.00 0.00 57.07 57.31 3kpi s TYR 383 Cb -0.08 -1.12 0.00 0.00 0.42 0.00 0.00 41.96 41.18 3kpi s TYR 383 CO 0.01 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.45 3kpi n GLY 384 N 3.16 -0.06 0.27 8.97 0.00 -0.01 -4.98 105.19 112.54 3kpi n GLY 384 Ca -0.18 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3kpi n GLY 384 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kpi h ARG 385 N 0.00 0.44 -0.14 1.61 3.08 -1.86 -0.89 114.38 116.63 3kpi h ARG 385 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3kpi h ARG 385 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3kpi h ARG 385 CO 0.00 0.49 0.03 0.11 -1.07 0.00 0.00 179.97 179.52 3kpi h TRP 386 N 0.43 0.19 -0.95 3.04 5.08 -1.94 -0.93 115.95 120.87 3kpi h TRP 386 Ca 0.09 -0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.11 3kpi h TRP 386 Cb 0.31 -0.06 -0.06 0.00 -3.00 0.00 0.00 29.16 26.35 3kpi h TRP 386 CO 0.01 0.18 0.62 0.28 -1.28 0.00 0.00 178.44 178.25 3kpi h VAL 387 N 0.19 1.13 -0.33 0.12 2.07 -1.82 0.07 116.25 117.69 3kpi h VAL 387 Ca 0.05 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3kpi h VAL 387 Cb 0.09 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3kpi h VAL 387 CO -0.00 0.21 0.14 -0.74 0.02 0.00 0.00 177.57 177.20 3kpi h HIS 388 N 1.16 0.49 -0.96 1.57 -0.00 -1.32 -1.21 115.15 114.89 3kpi h HIS 388 Ca 0.39 -0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.75 3kpi h HIS 388 Cb 0.08 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.29 3kpi h HIS 388 CO -0.00 0.45 0.63 -0.07 -0.00 0.00 0.00 177.93 178.94 3kpi h LEU 389 N 0.39 1.08 -0.22 0.26 3.38 -1.21 -1.75 115.31 117.23 3kpi h LEU 389 Ca 0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3kpi h LEU 389 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kpi h LEU 389 CO -0.01 0.76 -0.04 0.00 0.09 0.00 0.00 178.44 179.24 3kpi h ALA 390 N 1.37 0.30 -0.46 1.53 0.00 -0.83 -0.66 119.26 120.51 3kpi h ALA 390 Ca 0.36 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3kpi h ALA 390 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kpi h ALA 390 CO -0.09 0.07 0.21 -0.22 0.00 0.00 0.00 179.25 179.22 3kpi h LYS 391 N 0.16 0.40 -0.42 0.00 1.63 -1.00 0.56 116.57 117.89 3kpi h LYS 391 Ca 0.06 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 3kpi h LYS 391 Cb 0.48 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 3kpi h LYS 391 CO 0.02 0.27 0.12 0.28 -3.45 0.00 0.00 179.45 176.69 3kpi h VAL 392 N 0.42 1.22 -0.65 2.00 2.07 -1.15 -1.98 116.25 118.18 3kpi h VAL 392 Ca 0.21 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3kpi h VAL 392 Cb 0.14 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3kpi h VAL 392 CO -0.17 0.27 0.15 0.00 0.02 0.00 0.00 177.57 177.83 3kpi h ALA 393 N 0.97 0.86 -0.32 1.67 0.00 -0.64 -2.49 119.26 119.31 3kpi h ALA 393 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kpi h ALA 393 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kpi h ALA 393 CO -0.00 0.59 -0.09 0.35 0.00 0.00 0.00 179.25 180.10 3kpi h PHE 394 N 0.97 0.71 -0.66 0.00 3.57 -0.69 -1.12 116.94 119.71 3kpi h PHE 394 Ca 0.20 -0.15 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3kpi h PHE 394 Cb 0.38 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 3kpi h PHE 394 CO 0.03 0.81 0.34 1.49 -2.23 0.00 0.00 178.31 178.74 3kpi h GLU 395 N 0.40 0.58 -0.75 1.11 4.81 -1.33 0.18 114.58 119.59 3kpi h GLU 395 Ca 0.08 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3kpi h GLU 395 Cb 0.58 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3kpi h GLU 395 CO 0.03 0.38 0.25 -0.22 -0.73 0.00 0.00 179.01 178.73 3kpi h LYS 396 N 0.60 1.14 -0.04 1.92 3.64 -1.11 -1.25 116.57 121.47 3kpi h LYS 396 Ca 0.31 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3kpi h LYS 396 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3kpi h LYS 396 CO -0.23 0.96 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.88 3kpi h TYR 397 N 1.10 0.17 -0.11 1.91 3.20 -0.66 -2.65 116.97 119.93 3kpi h TYR 397 Ca 0.24 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3kpi h TYR 397 Cb 0.27 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kpi h TYR 397 CO 0.02 0.72 0.03 0.35 -1.64 0.00 0.00 178.16 177.64 3kpi h PHE 398 N -0.42 0.06 -0.97 -3.82 3.04 -0.47 -0.15 116.94 114.20 3kpi h PHE 398 Ca -0.00 0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.99 3kpi h PHE 398 Cb 0.72 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.16 3kpi h PHE 398 CO 0.13 0.03 0.64 0.82 -2.02 0.00 0.00 178.31 177.91 3kpi h ILE 399 N 0.08 1.17 -0.46 1.41 2.04 -1.32 -0.61 117.51 119.82 3kpi h ILE 399 Ca 0.05 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 3kpi h ILE 399 Cb 0.03 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 35.92 3kpi h ILE 399 CO -0.05 0.22 -0.08 -0.09 0.00 0.00 0.00 178.15 178.15 3kpi h ARG 400 N 1.23 0.82 -0.36 2.37 2.43 -1.05 -2.51 114.38 117.32 3kpi h ARG 400 Ca 0.39 -0.26 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3kpi h ARG 400 Cb -0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3kpi h ARG 400 CO -0.12 0.88 -0.29 0.87 -1.51 0.00 0.00 179.97 179.79 3kpi h LYS 401 N 0.75 0.76 0.00 0.20 1.79 -0.19 -0.94 116.57 118.95 3kpi h LYS 401 Ca 0.13 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 3kpi h LYS 401 Cb 0.57 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3kpi h LYS 401 CO 0.03 0.96 -0.05 0.52 -1.08 0.00 0.00 179.45 179.84 3kpi h MET 402 N 0.65 0.00 0.13 3.15 2.86 -0.86 0.13 114.93 120.98 3kpi h MET 402 Ca 0.08 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.38 3kpi h MET 402 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3kpi h MET 402 CO 0.07 0.05 -1.73 0.87 1.06 0.00 0.00 176.91 177.23 3kpi h LYS 403 N 0.00 0.27 0.00 1.72 1.57 -1.10 -3.39 116.57 115.64 3kpi h LYS 403 Ca -0.00 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 3kpi h LYS 403 Cb 0.45 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kpi h LYS 403 CO 0.01 1.13 -0.85 0.52 -0.57 0.00 0.00 179.45 179.69 3kpi h MET 404 N 0.07 0.00 0.00 3.15 2.86 -0.75 -3.46 114.93 116.80 3kpi h MET 404 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3kpi h MET 404 Cb 2.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 3kpi h MET 404 CO 0.14 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.64 3kpi n GLY 405 N 1.22 2.39 3.15 8.32 0.00 0.41 -5.07 105.19 115.60 3kpi n GLY 405 Ca -0.01 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 3kpi n GLY 405 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpi s VAL 406 N -2.72 0.48 0.38 1.61 1.01 -1.26 -4.78 120.40 115.12 3kpi s VAL 406 Ca 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 61.98 60.12 3kpi s VAL 406 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3kpi s VAL 406 CO 0.00 -0.81 0.17 -0.44 0.00 0.00 0.00 175.10 174.03 3kpi s SER 407 N -3.03 2.39 0.20 3.32 0.01 -1.26 -3.91 113.70 111.41 3kpi s SER 407 Ca 0.14 -1.70 -0.20 0.00 1.31 0.00 0.00 55.95 55.50 3kpi s SER 407 Cb 0.06 0.53 0.14 0.00 0.21 0.00 0.00 66.02 66.96 3kpi s SER 407 CO -0.04 -0.97 1.58 -0.33 0.41 0.00 0.00 173.24 173.88 3kpi h GLU 408 N 1.91 -0.12 0.00 12.44 4.39 -1.95 0.07 114.58 131.32 3kpi h GLU 408 Ca -0.32 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3kpi h GLU 408 Cb 1.26 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3kpi h GLU 408 CO 0.50 -0.08 0.00 -0.35 -1.16 0.00 0.00 179.01 177.92 3kpi n PRO 409 N -5.44 0.03 -0.23 2.33 -0.04 -1.26 -3.61 135.00 126.79 3kpi n PRO 409 Ca 0.05 0.18 0.01 0.00 -0.04 0.00 0.00 63.50 63.70 3kpi n PRO 409 Cb 0.36 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.41 3kpi n PRO 409 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3kpi h PHE 410 N 0.00 -0.28 -0.15 0.54 3.57 -1.38 -1.98 116.94 117.26 3kpi h PHE 410 Ca 0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kpi h PHE 410 Cb 0.01 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kpi h PHE 410 CO 0.00 -0.27 0.03 0.10 -2.23 0.00 0.00 178.31 175.94 3kpi h TYR 411 N 0.03 0.20 0.00 0.41 -0.00 -1.81 0.46 116.97 116.26 3kpi h TYR 411 Ca 0.33 -0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.94 3kpi h TYR 411 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.18 3kpi h TYR 411 CO -0.50 0.19 -0.58 0.93 -0.00 0.00 0.00 178.16 178.20 3kpi h GLU 412 N 0.21 0.00 -0.31 0.10 5.08 -1.66 -2.18 114.58 115.81 3kpi h GLU 412 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 3kpi h GLU 412 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kpi h GLU 412 CO -0.00 0.58 -0.41 0.87 -1.00 0.00 0.00 179.01 179.05 3kpi h LYS 413 N 0.00 0.82 -0.48 2.33 1.57 -0.12 -2.91 116.57 117.79 3kpi h LYS 413 Ca -0.01 -0.47 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 3kpi h LYS 413 Cb 1.12 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3kpi h LYS 413 CO 0.08 1.11 0.32 0.28 -0.57 0.00 0.00 179.45 180.66 3kpi h VAL 414 N 0.59 0.94 -0.14 0.50 2.07 -0.03 -0.20 116.25 119.99 3kpi h VAL 414 Ca 0.04 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3kpi h VAL 414 Cb 1.00 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3kpi h VAL 414 CO 0.10 0.06 -0.23 0.25 0.02 0.00 0.00 177.57 177.77 3kpi h LEU 415 N 0.35 0.45 0.00 2.57 5.85 -1.30 -2.84 115.31 120.39 3kpi h LEU 415 Ca 0.21 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3kpi h LEU 415 Cb 0.38 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3kpi h LEU 415 CO -0.05 0.90 -0.00 2.22 -0.34 0.00 0.00 178.44 181.17 3kpi n PHE 416 N -4.46 0.62 0.01 1.25 1.16 -0.91 -3.36 117.46 111.78 3kpi n PHE 416 Ca -0.07 0.18 0.02 0.00 -1.87 0.00 0.00 57.45 55.71 3kpi n PHE 416 Cb 0.43 -0.79 -0.10 0.00 -1.61 0.00 0.00 39.48 37.41 3kpi n PHE 416 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3kpi n LYS 417 N -2.01 0.64 -0.10 3.97 3.00 -0.14 -2.77 118.16 120.75 3kpi n LYS 417 Ca 0.06 0.11 -0.11 0.00 -0.00 0.00 0.00 58.31 58.37 3kpi n LYS 417 Cb 0.40 -1.72 -0.03 0.00 0.00 0.00 0.00 35.03 33.68 3kpi n LYS 417 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3kpi h MET 418 N 0.00 0.51 0.00 1.64 2.86 -1.50 -3.39 114.93 115.05 3kpi h MET 418 Ca -0.17 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3kpi h MET 418 Cb 1.51 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.12 3kpi h MET 418 CO 0.03 0.64 0.00 -1.33 1.06 0.00 0.00 176.91 177.31 3kpi n MET 419 N -4.60 -0.62 -3.52 1.72 2.81 -1.25 -4.58 117.12 107.09 3kpi n MET 419 Ca -0.03 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.58 3kpi n MET 419 Cb 0.24 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.61 3kpi n MET 419 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kpi s GLY 420 N -2.52 0.53 0.04 3.03 0.00 -1.26 -4.88 107.32 102.26 3kpi s GLY 420 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 3kpi s GLY 420 CO 0.00 2.11 0.26 0.29 0.00 0.00 0.00 173.10 175.76 3kpi n ILE 421 N 4.99 0.00 0.14 0.90 -5.35 -0.43 -4.66 119.36 114.95 3kpi n ILE 421 Ca -0.02 -0.14 0.02 0.00 -0.27 0.00 0.00 62.75 62.35 3kpi n ILE 421 Cb 0.41 0.19 0.07 0.00 -1.74 0.00 0.00 39.64 38.57 3kpi n ILE 421 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3kpi h THR 422 N 1.25 0.94 -0.18 7.28 2.02 -1.87 -3.26 112.91 119.08 3kpi h THR 422 Ca -0.07 -2.20 0.04 0.00 0.77 0.00 0.00 66.41 64.95 3kpi h THR 422 Cb 0.30 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 3kpi h THR 422 CO 0.09 0.51 -0.04 -0.09 0.37 0.00 0.00 175.52 176.36 3kpi h ARG 423 N 0.00 0.00 -4.55 6.66 2.43 -1.93 0.48 114.38 117.48 3kpi h ARG 423 Ca -0.01 -0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.46 3kpi h ARG 423 Cb 1.33 -0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.60 3kpi h ARG 423 CO 0.07 0.00 -0.53 -1.17 -1.51 0.00 0.00 179.97 176.83 3kpi s LEU 424 N -10.38 4.82 0.00 3.80 1.98 -1.23 -3.28 118.68 114.39 3kpi s LEU 424 Ca -0.13 -1.35 0.00 0.00 -2.89 0.00 0.00 54.13 49.75 3kpi s LEU 424 Cb 0.10 -1.94 0.00 0.00 0.66 0.00 0.00 46.19 45.01 3kpi s LEU 424 CO 0.68 -0.45 0.00 1.17 -1.89 0.00 0.00 176.35 175.87 3kpi n LYS 425 N 4.87 0.00 -3.36 1.98 3.00 -1.25 -1.32 118.16 122.07 3kpi n LYS 425 Ca -0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.02 3kpi n LYS 425 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.54 3kpi n LYS 425 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kpi n GLU 426 N 0.00 -6.43 -0.91 1.64 0.00 -1.20 -5.08 120.64 108.66 3kpi n GLU 426 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.87 3kpi n GLU 426 Cb 0.00 -5.36 0.00 0.00 0.00 0.00 0.00 31.44 26.08 3kpi n GLU 426 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22