#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbi s ARG 6 N 1.07 4.25 -0.11 0.00 0.52 -1.26 -1.55 118.95 121.88 3kbi s ARG 6 Ca -0.04 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 3kbi s ARG 6 Cb -0.20 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.87 3kbi s ARG 6 CO -0.05 0.25 -0.21 0.08 0.02 0.00 0.00 175.30 175.39 3kbi s VAL 7 N 0.40 1.86 -0.45 3.52 1.01 -0.97 -1.00 120.40 124.77 3kbi s VAL 7 Ca 0.20 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 3kbi s VAL 7 Cb -0.14 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.68 3kbi s VAL 7 CO 0.07 0.51 0.34 -0.22 0.00 0.00 0.00 175.10 175.80 3kbi s LEU 8 N 0.61 5.43 -0.31 3.92 2.96 -0.14 -0.59 118.68 130.56 3kbi s LEU 8 Ca -0.13 -1.39 -0.10 0.00 -0.22 0.00 0.00 54.13 52.28 3kbi s LEU 8 Cb -0.17 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 3kbi s LEU 8 CO 0.04 -0.60 0.17 -0.55 -1.32 0.00 0.00 176.35 174.09 3kbi s SER 9 N 2.40 5.67 -0.67 3.68 0.15 -0.02 -0.83 113.70 124.07 3kbi s SER 9 Ca 0.04 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 3kbi s SER 9 Cb -0.24 -2.04 0.18 0.00 -1.71 0.00 0.00 66.02 62.21 3kbi s SER 9 CO 0.05 -0.18 0.55 -0.63 1.20 0.00 0.00 173.24 174.23 3kbi s ILE 10 N 1.65 4.56 0.30 6.45 1.01 -0.39 -0.59 121.20 134.19 3kbi s ILE 10 Ca 0.05 -2.54 -0.04 0.00 0.00 0.00 0.00 60.65 58.13 3kbi s ILE 10 Cb -0.17 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3kbi s ILE 10 CO 0.07 -0.92 0.42 -1.10 0.00 0.00 0.00 174.94 173.41 3kbi s GLN 11 N 0.31 1.74 0.66 2.79 -0.21 -0.78 -4.25 119.66 119.91 3kbi s GLN 11 Ca 0.15 -1.65 -0.17 0.00 0.02 0.00 0.00 55.36 53.71 3kbi s GLN 11 Cb -0.18 0.42 -0.00 0.00 1.00 0.00 0.00 33.01 34.25 3kbi s GLN 11 CO -0.05 -0.70 1.22 -1.12 -2.12 0.00 0.00 175.29 172.52 3kbi s SER 12 N -3.19 4.70 -0.01 5.90 0.01 -1.26 -1.07 113.70 118.77 3kbi s SER 12 Ca 0.31 2.40 0.04 0.00 1.31 0.00 0.00 55.95 60.01 3kbi s SER 12 Cb 0.01 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3kbi s SER 12 CO 0.17 -1.93 -0.13 -2.28 0.41 0.00 0.00 173.24 169.49 3kbi s HIS 13 N -1.74 1.13 0.10 2.43 2.46 0.03 -0.39 115.29 119.31 3kbi s HIS 13 Ca 0.77 -0.22 0.07 0.00 0.47 0.00 0.00 55.06 56.16 3kbi s HIS 13 Cb -0.31 -0.72 -0.03 0.00 -0.13 0.00 0.00 32.58 31.38 3kbi s HIS 13 CO 0.39 -0.02 -0.19 0.14 -2.47 0.00 0.00 174.74 172.60 3kbi s VAL 14 N -0.30 1.57 -0.05 0.89 -7.23 -1.26 -1.57 120.40 112.44 3kbi s VAL 14 Ca 0.05 -1.52 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 3kbi s VAL 14 Cb -0.05 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.33 3kbi s VAL 14 CO -0.00 -0.13 0.63 0.40 -0.31 0.00 0.00 175.10 175.69 3kbi h ILE 15 N 4.05 0.32 -2.69 -0.62 1.08 -0.70 -3.44 117.51 115.51 3kbi h ILE 15 Ca -0.45 -0.86 -0.66 0.00 -0.39 0.00 0.00 64.86 62.50 3kbi h ILE 15 Cb 1.18 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 35.40 3kbi h ILE 15 CO 0.41 0.09 -0.48 -0.60 -0.69 0.00 0.00 178.15 176.87 3kbi s ARG 16 N -3.10 3.50 0.00 2.37 6.06 -0.24 -5.02 118.95 122.52 3kbi s ARG 16 Ca -0.09 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 3kbi s ARG 16 Cb 0.00 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.81 3kbi s ARG 16 CO 0.29 0.74 0.00 0.41 -2.50 0.00 0.00 175.30 174.25 3kbi n GLY 17 N 2.11 0.44 2.68 8.12 0.00 -1.26 -4.32 105.19 112.95 3kbi n GLY 17 Ca -0.20 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 3kbi n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbi s TYR 18 N -1.12 1.10 0.14 1.61 1.51 -1.26 -4.87 117.35 114.46 3kbi s TYR 18 Ca 0.00 -1.23 -0.15 0.00 -1.01 0.00 0.00 57.07 54.68 3kbi s TYR 18 Cb 0.00 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3kbi s TYR 18 CO 0.00 -0.79 0.40 0.14 -1.11 0.00 0.00 175.55 174.19 3kbi s VAL 19 N 1.83 0.07 0.00 0.71 -7.23 -1.26 -4.30 120.40 110.21 3kbi s VAL 19 Ca 0.07 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3kbi s VAL 19 Cb -0.17 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3kbi s VAL 19 CO -0.24 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 3kbi n GLY 20 N -0.24 3.09 0.31 2.32 0.00 -1.26 -1.44 105.19 107.97 3kbi n GLY 20 Ca -0.14 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 45.92 3kbi n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kbi h ASN 21 N 2.19 0.00 0.36 1.61 2.35 -0.95 -0.92 115.58 120.22 3kbi h ASN 21 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3kbi h ASN 21 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kbi h ASN 21 CO 0.00 0.02 -0.74 0.03 -1.65 0.00 0.00 177.43 175.09 3kbi h ARG 22 N 0.00 0.32 0.07 0.81 2.47 -1.40 -0.63 114.38 116.02 3kbi h ARG 22 Ca -0.00 -0.27 -0.24 0.00 -1.26 0.00 0.00 59.98 58.20 3kbi h ARG 22 Cb 0.12 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3kbi h ARG 22 CO 0.00 0.93 -1.10 0.00 0.56 0.00 0.00 179.97 180.36 3kbi h ALA 23 N 0.99 0.24 0.00 0.04 0.00 -1.09 -3.38 119.26 116.06 3kbi h ALA 23 Ca -0.03 -0.85 -0.28 0.00 0.00 0.00 0.00 54.91 53.75 3kbi h ALA 23 Cb 1.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3kbi h ALA 23 CO 0.12 1.02 -1.62 0.00 0.00 0.00 0.00 179.25 178.77 3kbi h ALA 24 N 0.76 0.73 0.60 0.00 0.00 -1.31 -3.41 119.26 116.63 3kbi h ALA 24 Ca -0.09 -1.39 -0.03 0.00 0.00 0.00 0.00 54.91 53.41 3kbi h ALA 24 Cb 1.82 0.41 0.01 0.00 0.00 0.00 0.00 17.79 20.03 3kbi h ALA 24 CO 0.17 1.53 -0.29 1.15 0.00 0.00 0.00 179.25 181.81 3kbi h THR 25 N 0.00 0.08 -0.15 0.00 2.02 -1.28 -3.06 112.91 110.52 3kbi h THR 25 Ca -0.25 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.58 3kbi h THR 25 Cb 1.97 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 3kbi h THR 25 CO 0.08 0.01 -0.28 0.15 0.37 0.00 0.00 175.52 175.86 3kbi h PHE 26 N -1.18 -0.76 -0.33 3.16 3.57 -1.80 -0.59 116.94 119.01 3kbi h PHE 26 Ca -0.08 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.52 3kbi h PHE 26 Cb 0.65 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 3kbi h PHE 26 CO 0.00 -0.36 -0.12 -1.35 -2.23 0.00 0.00 178.31 174.26 3kbi h PRO 27 N -0.34 -0.05 -0.31 6.41 0.11 -1.79 0.13 132.00 136.16 3kbi h PRO 27 Ca 0.10 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 3kbi h PRO 27 Cb 0.50 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3kbi h PRO 27 CO -0.34 -0.03 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.32 3kbi h LEU 28 N -0.05 0.46 -0.33 2.35 3.38 -1.38 -1.28 115.31 118.46 3kbi h LEU 28 Ca 0.17 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3kbi h LEU 28 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kbi h LEU 28 CO -0.37 0.55 -0.30 1.56 0.09 0.00 0.00 178.44 179.98 3kbi h GLN 29 N 0.47 0.78 -0.62 1.13 4.20 -0.41 -0.54 115.11 120.12 3kbi h GLN 29 Ca 0.10 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.45 3kbi h GLN 29 Cb 0.36 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3kbi h GLN 29 CO 0.01 1.03 0.41 0.28 -0.67 0.00 0.00 178.83 179.90 3kbi h VAL 30 N 0.56 1.05 -0.16 -0.54 2.07 -0.28 -0.39 116.25 118.56 3kbi h VAL 30 Ca 0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kbi h VAL 30 Cb 0.87 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3kbi h VAL 30 CO 0.08 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.97 3kbi n LEU 31 N -4.47 0.92 0.00 2.57 4.77 -0.53 -4.90 117.00 115.36 3kbi n LEU 31 Ca 0.08 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3kbi n LEU 31 Cb 0.17 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kbi n LEU 31 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3kbi n GLY 32 N 0.82 0.67 3.81 -0.72 0.00 -0.16 -5.06 105.19 104.55 3kbi n GLY 32 Ca 0.08 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3kbi n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kbi s PHE 33 N -2.00 3.74 -1.26 1.61 0.40 -0.24 -4.72 117.98 115.51 3kbi s PHE 33 Ca 0.00 1.37 -0.16 0.00 -0.60 0.00 0.00 56.93 57.54 3kbi s PHE 33 Cb 0.00 -2.59 0.12 0.00 0.51 0.00 0.00 43.02 41.07 3kbi s PHE 33 CO 0.00 0.45 1.59 0.39 0.70 0.00 0.00 175.22 178.34 3kbi n GLU 34 N 1.16 3.29 -3.24 0.44 -0.58 -0.59 -4.27 120.64 116.84 3kbi n GLU 34 Ca -0.05 -3.58 -0.39 0.00 -0.42 0.00 0.00 57.16 52.72 3kbi n GLU 34 Cb 0.51 -3.25 -0.06 0.00 -0.57 0.00 0.00 31.44 28.06 3kbi n GLU 34 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3kbi s ILE 35 N 2.80 5.11 -0.20 -3.67 2.07 -1.26 -2.29 121.20 123.76 3kbi s ILE 35 Ca 0.48 0.99 -0.09 0.00 -1.41 0.00 0.00 60.65 60.62 3kbi s ILE 35 Cb 0.01 -3.85 -0.05 0.00 0.13 0.00 0.00 42.46 38.69 3kbi s ILE 35 CO 0.04 0.20 0.12 -1.81 -1.91 0.00 0.00 174.94 171.57 3kbi s ASP 36 N 1.05 6.04 -0.25 4.50 1.01 0.24 -4.97 116.67 124.29 3kbi s ASP 36 Ca 0.25 0.18 -0.06 0.00 0.71 0.00 0.00 52.55 53.63 3kbi s ASP 36 Cb -0.15 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 3kbi s ASP 36 CO 0.10 0.16 0.03 0.00 0.21 0.00 0.00 175.17 175.67 3kbi s ALA 37 N 0.45 2.98 -0.37 5.23 0.00 -1.26 -0.84 121.76 127.94 3kbi s ALA 37 Ca 0.07 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 3kbi s ALA 37 Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3kbi s ALA 37 CO -0.01 -0.63 0.29 0.08 0.00 0.00 0.00 175.76 175.49 3kbi s VAL 38 N 1.51 5.25 -0.38 0.00 1.01 0.24 -5.00 120.40 123.04 3kbi s VAL 38 Ca 0.05 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 3kbi s VAL 38 Cb -0.16 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3kbi s VAL 38 CO 0.00 -0.16 0.94 0.20 0.00 0.00 0.00 175.10 176.09 3kbi s ASN 39 N 1.71 6.67 0.21 3.32 0.01 -1.26 -1.87 114.94 123.73 3kbi s ASN 39 Ca 0.06 0.56 0.26 0.00 -0.71 0.00 0.00 52.86 53.03 3kbi s ASN 39 Cb -0.18 -2.47 0.87 0.00 0.41 0.00 0.00 41.25 39.88 3kbi s ASN 39 CO 0.11 -0.90 1.77 -1.54 -1.51 0.00 0.00 177.10 175.03 3kbi n SER 40 N 6.87 0.73 -3.50 -1.22 3.41 -0.23 -4.69 113.62 114.98 3kbi n SER 40 Ca 0.07 0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 59.11 3kbi n SER 40 Cb 0.48 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 3kbi n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3kbi s VAL 41 N -3.15 0.00 -0.27 -3.33 -7.23 -1.26 -0.70 120.40 104.47 3kbi s VAL 41 Ca 0.09 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 3kbi s VAL 41 Cb 0.12 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 36.14 3kbi s VAL 41 CO 0.54 0.00 0.04 -1.58 -0.31 0.00 0.00 175.10 173.79 3kbi s GLN 42 N -1.76 0.98 0.27 4.82 0.74 0.79 -0.79 119.66 124.71 3kbi s GLN 42 Ca -0.08 -0.97 0.11 0.00 0.05 0.00 0.00 55.36 54.47 3kbi s GLN 42 Cb -0.00 -2.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.79 3kbi s GLN 42 CO 0.05 -0.81 -0.14 -0.06 -0.55 0.00 0.00 175.29 173.77 3kbi s PHE 43 N 1.56 2.41 0.36 1.67 0.40 -0.61 -0.74 117.98 123.03 3kbi s PHE 43 Ca 0.04 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 3kbi s PHE 43 Cb -0.18 -1.06 0.68 0.00 0.51 0.00 0.00 43.02 42.98 3kbi s PHE 43 CO -0.15 0.68 1.87 0.66 0.70 0.00 0.00 175.22 178.98 3kbi h SER 44 N 2.20 0.31 -5.48 1.36 4.64 -1.21 0.12 113.55 115.49 3kbi h SER 44 Ca -0.41 -0.07 0.20 0.00 -0.47 0.00 0.00 61.79 61.04 3kbi h SER 44 Cb 1.25 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3kbi h SER 44 CO 0.60 0.47 0.62 0.54 -0.87 0.00 0.00 176.83 178.19 3kbi s ASN 45 N -6.84 -0.05 0.61 4.97 4.22 -1.26 -1.08 114.94 115.51 3kbi s ASN 45 Ca -0.06 -0.49 -0.16 0.00 -2.14 0.00 0.00 52.86 50.01 3kbi s ASN 45 Cb 0.15 0.42 -0.03 0.00 1.28 0.00 0.00 41.25 43.07 3kbi s ASN 45 CO 0.75 -0.82 1.08 -1.38 -2.04 0.00 0.00 177.10 174.69 3kbi s HIS 46 N -2.47 2.85 -2.00 1.54 -3.43 -1.26 -4.83 115.29 105.69 3kbi s HIS 46 Ca 0.19 1.53 0.04 0.00 -0.80 0.00 0.00 55.06 56.02 3kbi s HIS 46 Cb -0.01 -3.08 0.21 0.00 -1.43 0.00 0.00 32.58 28.27 3kbi s HIS 46 CO 0.03 -1.32 0.56 0.25 -2.00 0.00 0.00 174.74 172.25 3kbi n THR 47 N -2.07 0.00 0.74 -5.38 -2.24 -1.26 -2.49 114.28 101.58 3kbi n THR 47 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3kbi n THR 47 Cb 0.52 -0.64 0.33 0.00 -2.10 0.00 0.00 70.33 68.44 3kbi n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbi n GLY 48 N -0.42 -1.47 3.87 3.38 0.00 -1.26 -4.87 105.19 104.42 3kbi n GLY 48 Ca 0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3kbi n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbi s TYR 49 N -3.09 3.06 0.39 1.61 1.51 -1.04 -4.93 117.35 114.86 3kbi s TYR 49 Ca 0.10 0.93 0.10 0.00 -1.01 0.00 0.00 57.07 57.18 3kbi s TYR 49 Cb 0.15 -3.27 0.80 0.00 -0.11 0.00 0.00 41.96 39.53 3kbi s TYR 49 CO 0.65 -1.57 1.93 0.00 -1.11 0.00 0.00 175.55 175.45 3kbi h ALA 50 N -0.92 1.53 -3.04 3.71 0.00 -1.91 -3.44 119.26 115.19 3kbi h ALA 50 Ca -0.46 -0.19 -0.39 0.00 0.00 0.00 0.00 54.91 53.87 3kbi h ALA 50 Cb 1.29 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 3kbi h ALA 50 CO 0.64 0.34 -0.76 -1.01 0.00 0.00 0.00 179.25 178.46 3kbi s HIS 51 N -4.77 1.23 -0.21 0.00 3.76 -1.26 -5.15 115.29 108.88 3kbi s HIS 51 Ca -0.06 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 54.03 3kbi s HIS 51 Cb 0.16 -0.67 0.13 0.00 1.11 0.00 0.00 32.58 33.31 3kbi s HIS 51 CO 0.73 0.07 1.04 1.67 -0.85 0.00 0.00 174.74 177.40 3kbi s TRP 52 N -1.89 -0.38 0.05 1.40 1.48 -1.26 -4.86 118.94 113.47 3kbi s TRP 52 Ca 0.04 0.78 -0.13 0.00 -1.06 0.00 0.00 56.10 55.72 3kbi s TRP 52 Cb -0.06 0.42 0.02 0.00 -1.16 0.00 0.00 33.47 32.69 3kbi s TRP 52 CO 0.02 -0.28 0.30 0.15 -4.06 0.00 0.00 176.95 173.08 3kbi s LYS 53 N -0.59 0.82 0.00 3.25 1.02 -1.26 -5.01 119.74 117.97 3kbi s LYS 53 Ca 0.01 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.46 3kbi s LYS 53 Cb -0.02 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 3kbi s LYS 53 CO -0.02 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 3kbi n GLY 54 N 0.52 -0.97 3.64 -3.33 0.00 -1.26 -0.66 105.19 103.13 3kbi n GLY 54 Ca -0.18 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 3kbi n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbi s GLN 55 N -2.00 2.28 0.09 1.61 1.11 0.08 -4.94 119.66 117.90 3kbi s GLN 55 Ca 0.00 -1.39 0.09 0.00 0.01 0.00 0.00 55.36 54.08 3kbi s GLN 55 Cb 0.00 -2.17 -0.03 0.00 -1.01 0.00 0.00 33.01 29.79 3kbi s GLN 55 CO 0.00 0.37 -0.25 0.14 0.01 0.00 0.00 175.29 175.56 3kbi s VAL 56 N -2.25 2.05 0.11 1.09 -7.23 -1.26 -0.15 120.40 112.77 3kbi s VAL 56 Ca 0.31 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 58.74 3kbi s VAL 56 Cb -0.07 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 3kbi s VAL 56 CO 0.19 0.17 0.63 -0.22 -0.31 0.00 0.00 175.10 175.57 3kbi s LEU 57 N -1.64 4.52 0.34 1.32 2.96 0.12 -4.94 118.68 121.36 3kbi s LEU 57 Ca 0.11 1.37 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 3kbi s LEU 57 Cb -0.10 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 3kbi s LEU 57 CO 0.04 0.23 0.33 0.54 -1.32 0.00 0.00 176.35 176.17 3kbi s ASN 58 N -1.19 5.42 0.54 3.68 2.20 -1.26 -4.89 114.94 119.44 3kbi s ASN 58 Ca 0.32 -0.44 0.26 0.00 -0.94 0.00 0.00 52.86 52.06 3kbi s ASN 58 Cb -0.20 -1.01 1.43 0.00 -2.00 0.00 0.00 41.25 39.46 3kbi s ASN 58 CO 0.21 -0.38 2.00 0.77 -2.94 0.00 0.00 177.10 176.77 3kbi h SER 59 N 1.17 0.00 -0.00 3.54 4.64 -1.92 -1.31 113.55 119.65 3kbi h SER 59 Ca -0.45 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.65 3kbi h SER 59 Cb 1.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3kbi h SER 59 CO 0.57 0.00 -0.83 0.44 -0.87 0.00 0.00 176.83 176.14 3kbi h ASP 60 N 0.00 0.82 0.15 4.97 3.32 -1.95 -1.96 116.42 121.78 3kbi h ASP 60 Ca 0.22 -0.57 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 3kbi h ASP 60 Cb 0.94 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3kbi h ASP 60 CO -0.00 1.36 -0.44 -0.33 -1.72 0.00 0.00 179.24 178.11 3kbi h GLU 61 N 0.44 0.36 0.04 3.56 5.08 -1.69 0.63 114.58 123.00 3kbi h GLU 61 Ca -0.06 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3kbi h GLU 61 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3kbi h GLU 61 CO 0.16 0.73 -0.02 1.25 -1.00 0.00 0.00 179.01 180.13 3kbi h LEU 62 N 0.29 -0.05 -0.76 1.33 5.85 -1.24 -1.17 115.31 119.55 3kbi h LEU 62 Ca 0.02 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3kbi h LEU 62 Cb 0.89 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3kbi h LEU 62 CO 0.07 0.24 0.47 -0.61 -0.34 0.00 0.00 178.44 178.27 3kbi h GLN 63 N -0.34 0.85 -0.34 1.25 4.15 -1.19 -0.84 115.11 118.65 3kbi h GLN 63 Ca -0.01 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.38 3kbi h GLN 63 Cb 0.31 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3kbi h GLN 63 CO 0.01 0.57 0.18 1.49 -1.93 0.00 0.00 178.83 179.15 3kbi h GLU 64 N 0.88 0.36 -0.83 1.69 4.81 -0.67 -0.51 114.58 120.31 3kbi h GLU 64 Ca 0.32 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3kbi h GLU 64 Cb 0.11 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3kbi h GLU 64 CO -0.15 0.24 0.54 -0.07 -0.73 0.00 0.00 179.01 178.84 3kbi h LEU 65 N 0.37 0.90 -1.23 1.64 3.38 -0.50 -1.25 115.31 118.62 3kbi h LEU 65 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kbi h LEU 65 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kbi h LEU 65 CO -0.09 0.63 -0.18 0.22 0.09 0.00 0.00 178.44 179.11 3kbi h TYR 66 N 1.06 0.34 -0.58 1.13 3.20 -0.64 -2.46 116.97 119.02 3kbi h TYR 66 Ca 0.32 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3kbi h TYR 66 Cb -0.02 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3kbi h TYR 66 CO -0.02 0.48 0.36 1.49 -1.64 0.00 0.00 178.16 178.83 3kbi h GLU 67 N 0.29 0.78 -0.74 1.82 4.57 0.07 0.24 114.58 121.62 3kbi h GLU 67 Ca 0.05 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3kbi h GLU 67 Cb 0.49 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3kbi h GLU 67 CO 0.03 0.55 0.44 0.78 -1.18 0.00 0.00 179.01 179.64 3kbi h GLY 68 N 0.78 1.09 0.82 1.92 0.00 -0.96 0.41 103.07 107.14 3kbi h GLY 68 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3kbi h GLY 68 CO -0.04 0.22 0.01 1.41 0.00 0.00 0.00 176.54 178.14 3kbi h LEU 69 N 0.82 0.34 0.14 3.11 3.38 -1.11 -2.63 115.31 119.37 3kbi h LEU 69 Ca 0.32 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kbi h LEU 69 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kbi h LEU 69 CO -0.16 0.55 -0.12 -0.09 0.09 0.00 0.00 178.44 178.72 3kbi h ARG 70 N 0.11 -0.26 -0.89 1.13 2.43 0.04 0.24 114.38 117.18 3kbi h ARG 70 Ca 0.06 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.42 3kbi h ARG 70 Cb 0.38 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3kbi h ARG 70 CO 0.01 -0.17 0.58 -0.07 -1.51 0.00 0.00 179.97 178.80 3kbi h LEU 71 N -0.27 0.55 -1.13 3.80 3.38 -0.18 0.27 115.31 121.72 3kbi h LEU 71 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kbi h LEU 71 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kbi h LEU 71 CO -0.02 0.25 0.00 0.59 0.09 0.00 0.00 178.44 179.35 3kbi n ASN 72 N -4.55 1.67 -2.72 -0.43 3.02 -0.99 -4.90 115.26 106.35 3kbi n ASN 72 Ca 0.18 -1.86 -0.21 0.00 -0.03 0.00 0.00 54.58 52.67 3kbi n ASN 72 Cb 0.57 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.60 3kbi n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kbi n ASN 73 N 0.37 -5.79 -1.14 6.41 4.05 0.95 -4.89 115.26 115.22 3kbi n ASN 73 Ca 0.13 -0.23 0.02 0.00 0.45 0.00 0.00 54.58 54.95 3kbi n ASN 73 Cb 0.29 -4.64 0.24 0.00 1.23 0.00 0.00 39.78 36.91 3kbi n ASN 73 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 3kbi n MET 74 N -3.67 2.64 -2.70 1.20 2.81 0.81 -4.75 117.12 113.46 3kbi n MET 74 Ca -0.12 -2.99 -0.40 0.00 -1.81 0.00 0.00 57.70 52.38 3kbi n MET 74 Cb 0.62 -1.89 0.02 0.00 -0.71 0.00 0.00 33.22 31.26 3kbi n MET 74 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3kbi n ASN 75 N -0.70 7.10 -3.75 7.83 6.94 -1.24 -4.83 115.26 126.62 3kbi n ASN 75 Ca 0.29 -3.66 -0.28 0.00 -0.02 0.00 0.00 54.58 50.90 3kbi n ASN 75 Cb 1.02 -1.15 -0.16 0.00 -2.36 0.00 0.00 39.78 37.14 3kbi n ASN 75 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3kbi s LYS 76 N -4.13 0.76 0.18 -3.83 1.02 -1.26 -4.86 119.74 107.62 3kbi s LYS 76 Ca 0.39 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.82 3kbi s LYS 76 Cb 0.18 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 3kbi s LYS 76 CO -0.10 -0.72 -0.14 0.71 -0.92 0.00 0.00 175.35 174.17 3kbi s TYR 77 N 1.77 1.60 -0.18 3.18 1.51 -1.26 -4.93 117.35 119.04 3kbi s TYR 77 Ca 0.01 -0.60 0.11 0.00 -1.01 0.00 0.00 57.07 55.58 3kbi s TYR 77 Cb -0.17 -0.77 -0.23 0.00 -0.11 0.00 0.00 41.96 40.68 3kbi s TYR 77 CO -0.12 0.28 0.13 -0.25 -1.11 0.00 0.00 175.55 174.47 3kbi n ASP 78 N -0.18 0.83 -4.06 2.29 8.00 -0.17 -4.67 116.55 118.59 3kbi n ASP 78 Ca -0.10 0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 3kbi n ASP 78 Cb 0.60 0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 41.89 3kbi n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kbi s TYR 79 N -2.52 0.52 -0.01 1.24 1.51 -0.37 -0.79 117.35 116.93 3kbi s TYR 79 Ca -0.16 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3kbi s TYR 79 Cb 0.07 -0.35 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 3kbi s TYR 79 CO 0.77 -0.24 -0.11 0.08 -1.11 0.00 0.00 175.55 174.94 3kbi s VAL 80 N -2.69 0.90 -0.06 0.71 1.01 -0.89 -0.96 120.40 118.41 3kbi s VAL 80 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3kbi s VAL 80 Cb -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3kbi s VAL 80 CO -0.05 0.26 -0.01 -0.22 0.00 0.00 0.00 175.10 175.08 3kbi s LEU 81 N -0.21 0.85 0.16 3.92 2.96 -0.01 -0.77 118.68 125.59 3kbi s LEU 81 Ca 0.03 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3kbi s LEU 81 Cb -0.05 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 3kbi s LEU 81 CO -0.00 -0.15 -0.04 0.42 -1.32 0.00 0.00 176.35 175.27 3kbi s THR 82 N 1.59 0.83 0.00 3.68 -4.23 -0.90 -1.26 115.64 115.34 3kbi s THR 82 Ca -0.01 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3kbi s THR 82 Cb -0.13 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kbi s THR 82 CO -0.03 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 3kbi n GLY 83 N -0.21 3.48 3.68 3.99 0.00 -1.26 -1.57 105.19 113.30 3kbi n GLY 83 Ca -0.08 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.26 3kbi n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kbi n TYR 84 N 0.00 2.38 -4.47 1.61 9.36 -1.26 -4.43 117.16 120.35 3kbi n TYR 84 Ca 0.00 -0.09 -0.23 0.00 3.32 0.00 0.00 57.90 60.90 3kbi n TYR 84 Cb 0.00 -2.70 -0.16 0.00 -0.63 0.00 0.00 39.34 35.85 3kbi n TYR 84 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kbi s THR 85 N 3.98 0.96 -0.42 2.97 2.01 -1.26 -4.69 115.64 119.18 3kbi s THR 85 Ca 0.91 -0.38 0.22 0.00 0.31 0.00 0.00 61.69 62.75 3kbi s THR 85 Cb -0.62 -0.90 -0.26 0.00 0.01 0.00 0.00 72.50 70.73 3kbi s THR 85 CO 0.48 0.32 0.71 -2.11 -0.69 0.00 0.00 174.62 173.33 3kbi n ARG 86 N 3.86 0.40 -4.40 4.92 1.85 -1.26 -4.87 116.66 117.16 3kbi n ARG 86 Ca -0.24 -0.10 -0.21 0.00 -1.00 0.00 0.00 57.85 56.30 3kbi n ARG 86 Cb 0.51 -1.54 -0.16 0.00 -1.05 0.00 0.00 32.46 30.23 3kbi n ARG 86 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3kbi s ASP 87 N -4.00 1.30 0.16 2.89 2.15 -1.26 -4.45 116.67 113.46 3kbi s ASP 87 Ca -0.01 -0.20 -0.15 0.00 0.43 0.00 0.00 52.55 52.61 3kbi s ASP 87 Cb 0.15 -0.45 0.09 0.00 -0.30 0.00 0.00 42.92 42.40 3kbi s ASP 87 CO 0.88 0.04 1.75 0.50 -0.17 0.00 0.00 175.17 178.17 3kbi h LYS 88 N 6.64 0.30 0.00 4.34 3.64 -1.93 0.12 116.57 129.68 3kbi h LYS 88 Ca -0.34 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.97 3kbi h LYS 88 Cb 1.17 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3kbi h LYS 88 CO 0.48 0.20 -0.26 0.66 -2.27 0.00 0.00 179.45 178.27 3kbi h SER 89 N 0.31 0.00 -0.02 4.20 4.64 -1.98 0.35 113.55 121.06 3kbi h SER 89 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3kbi h SER 89 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kbi h SER 89 CO -0.18 0.26 -0.03 0.15 -0.87 0.00 0.00 176.83 176.15 3kbi h PHE 90 N 0.00 0.06 -0.90 4.77 3.57 -1.75 -1.47 116.94 121.22 3kbi h PHE 90 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3kbi h PHE 90 Cb 0.47 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3kbi h PHE 90 CO 0.00 0.60 0.59 1.25 -2.23 0.00 0.00 178.31 178.52 3kbi h LEU 91 N -0.49 0.98 -0.76 0.59 5.85 -0.29 0.56 115.31 121.75 3kbi h LEU 91 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kbi h LEU 91 Cb 0.60 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kbi h LEU 91 CO 0.01 0.68 0.38 0.00 -0.34 0.00 0.00 178.44 179.16 3kbi h ALA 92 N 1.47 0.98 -0.47 1.25 0.00 -0.22 -0.97 119.26 121.30 3kbi h ALA 92 Ca 0.35 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kbi h ALA 92 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3kbi h ALA 92 CO -0.10 0.54 -0.21 1.98 0.00 0.00 0.00 179.25 181.45 3kbi h MET 93 N 1.07 0.95 -0.74 0.00 1.85 -0.12 -1.97 114.93 115.96 3kbi h MET 93 Ca 0.26 -0.39 0.03 0.00 -0.61 0.00 0.00 59.70 58.99 3kbi h MET 93 Cb 0.10 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.05 3kbi h MET 93 CO -0.04 1.06 0.47 0.28 -0.40 0.00 0.00 176.91 178.28 3kbi h VAL 94 N 0.82 1.10 -0.42 -5.77 2.07 -0.49 -0.66 116.25 112.91 3kbi h VAL 94 Ca 0.11 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3kbi h VAL 94 Cb 0.77 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3kbi h VAL 94 CO 0.06 0.17 0.25 0.58 0.02 0.00 0.00 177.57 178.65 3kbi h VAL 95 N 0.91 1.05 -0.39 2.57 2.07 -0.75 -0.80 116.25 120.91 3kbi h VAL 95 Ca 0.30 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3kbi h VAL 95 Cb 0.02 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3kbi h VAL 95 CO -0.11 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 178.00 3kbi h ASP 96 N 0.50 0.58 -0.15 0.57 3.32 -0.78 -1.15 116.42 119.31 3kbi h ASP 96 Ca 0.16 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3kbi h ASP 96 Cb 0.00 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3kbi h ASP 96 CO -0.07 0.66 -0.15 0.40 -1.72 0.00 0.00 179.24 178.36 3kbi h ILE 97 N 0.59 1.34 -0.65 0.35 2.04 -0.69 -2.33 117.51 118.15 3kbi h ILE 97 Ca 0.12 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 3kbi h ILE 97 Cb 0.38 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3kbi h ILE 97 CO 0.01 0.38 0.39 0.58 0.00 0.00 0.00 178.15 179.51 3kbi h VAL 98 N 0.01 1.19 -0.57 1.67 2.07 -0.99 -0.50 116.25 119.13 3kbi h VAL 98 Ca 0.03 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3kbi h VAL 98 Cb 0.67 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3kbi h VAL 98 CO 0.04 0.20 0.23 -0.61 0.02 0.00 0.00 177.57 177.45 3kbi h GLN 99 N 0.89 0.42 -0.35 1.57 4.15 -1.18 0.11 115.11 120.72 3kbi h GLN 99 Ca 0.23 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.46 3kbi h GLN 99 Cb -0.01 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3kbi h GLN 99 CO -0.04 0.28 -0.43 1.49 -1.93 0.00 0.00 178.83 178.19 3kbi h GLU 100 N 0.43 0.90 -0.13 1.69 4.81 -0.98 -2.81 114.58 118.49 3kbi h GLU 100 Ca 0.27 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3kbi h GLU 100 Cb 0.29 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3kbi h GLU 100 CO -0.25 1.15 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.99 3kbi h LEU 101 N 0.71 0.19 -0.69 1.64 3.38 -0.55 -1.14 115.31 118.85 3kbi h LEU 101 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kbi h LEU 101 Cb 1.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kbi h LEU 101 CO 0.10 0.34 0.00 0.11 0.09 0.00 0.00 178.44 179.08 3kbi h LYS 102 N 0.20 0.00 0.14 1.13 1.57 -0.61 0.63 116.57 119.62 3kbi h LYS 102 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 3kbi h LYS 102 Cb 0.34 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.68 3kbi h LYS 102 CO 0.02 0.00 -0.83 1.96 -0.57 0.00 0.00 179.45 180.03 3kbi h GLN 103 N 0.00 0.31 -0.25 3.15 4.20 -0.98 -2.37 115.11 119.17 3kbi h GLN 103 Ca 0.00 -0.53 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 3kbi h GLN 103 Cb 0.61 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3kbi h GLN 103 CO 0.00 1.25 0.14 1.96 -0.67 0.00 0.00 178.83 181.51 3kbi h GLN 104 N -0.34 0.35 -3.43 1.46 1.08 -1.13 -3.38 115.11 109.72 3kbi h GLN 104 Ca -0.14 -0.04 -0.60 0.00 -1.45 0.00 0.00 58.65 56.42 3kbi h GLN 104 Cb 1.65 -0.07 -0.40 0.00 -0.05 0.00 0.00 27.48 28.61 3kbi h GLN 104 CO 0.16 0.30 -0.75 1.21 -0.95 0.00 0.00 178.83 178.80 3kbi s ASN 105 N -5.52 3.93 0.46 1.46 2.47 0.19 -4.98 114.94 112.95 3kbi s ASN 105 Ca -0.13 -1.97 0.31 0.00 0.42 0.00 0.00 52.86 51.50 3kbi s ASN 105 Cb 0.09 -0.94 1.61 0.00 -1.45 0.00 0.00 41.25 40.56 3kbi s ASN 105 CO 0.71 -0.37 1.96 -0.65 -3.72 0.00 0.00 177.10 175.03 3kbi h PRO 106 N 7.64 0.00 -0.12 0.43 0.11 -1.62 -0.60 132.00 137.84 3kbi h PRO 106 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kbi h PRO 106 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3kbi h PRO 106 CO 0.47 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 3kbi n ARG 107 N -2.64 1.77 -1.84 1.05 1.74 -1.26 -4.93 116.66 110.56 3kbi n ARG 107 Ca -0.01 -1.15 -0.42 0.00 -0.77 0.00 0.00 57.85 55.50 3kbi n ARG 107 Cb 0.11 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3kbi n ARG 107 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kbi s LEU 108 N -1.73 4.36 -0.30 0.55 0.20 -0.23 -4.98 118.68 116.55 3kbi s LEU 108 Ca 0.34 2.83 -0.10 0.00 0.69 0.00 0.00 54.13 57.90 3kbi s LEU 108 Cb 0.19 -3.62 -0.02 0.00 -0.43 0.00 0.00 46.19 42.31 3kbi s LEU 108 CO 0.29 -0.87 0.15 -0.69 -0.29 0.00 0.00 176.35 174.94 3kbi s VAL 109 N 0.37 4.65 -0.42 1.68 1.01 0.03 -4.98 120.40 122.74 3kbi s VAL 109 Ca 0.65 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 3kbi s VAL 109 Cb -0.46 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3kbi s VAL 109 CO 0.42 0.12 0.43 -0.47 0.00 0.00 0.00 175.10 175.60 3kbi s TYR 110 N 1.63 3.17 -0.24 5.22 6.04 -1.26 -2.10 117.35 129.82 3kbi s TYR 110 Ca 0.05 -0.39 -0.17 0.00 0.04 0.00 0.00 57.07 56.60 3kbi s TYR 110 Cb -0.17 -2.87 -0.03 0.00 -1.04 0.00 0.00 41.96 37.85 3kbi s TYR 110 CO 0.06 -0.69 0.48 0.08 -1.54 0.00 0.00 175.55 173.95 3kbi s VAL 111 N 2.10 5.11 -0.12 3.14 1.01 0.05 -1.07 120.40 130.62 3kbi s VAL 111 Ca 0.12 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 3kbi s VAL 111 Cb -0.17 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3kbi s VAL 111 CO 0.13 0.14 -0.10 0.00 0.00 0.00 0.00 175.10 175.28 3kbi s ASP 113 N 1.58 6.19 -1.27 0.00 3.68 -0.61 -2.44 116.67 123.82 3kbi s ASP 113 Ca 0.04 -1.27 -0.17 0.00 2.13 0.00 0.00 52.55 53.27 3kbi s ASP 113 Cb -0.13 -2.27 -0.01 0.00 -1.45 0.00 0.00 42.92 39.07 3kbi s ASP 113 CO -0.08 -0.93 2.06 -0.81 0.13 0.00 0.00 175.17 175.54 3kbi n PRO 114 N 5.95 2.54 -2.00 4.34 -0.04 -1.26 -4.16 135.00 140.38 3kbi n PRO 114 Ca -0.09 -2.55 -0.42 0.00 -0.04 0.00 0.00 63.50 60.39 3kbi n PRO 114 Cb 0.43 -3.27 -0.03 0.00 -0.04 0.00 0.00 33.50 30.59 3kbi n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kbi s VAL 115 N 4.25 3.56 0.00 0.52 1.01 -1.26 -4.78 120.40 123.70 3kbi s VAL 115 Ca 0.52 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3kbi s VAL 115 Cb 0.11 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3kbi s VAL 115 CO -0.00 -0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.19 3kbi n LEU 116 N 7.48 0.28 0.00 3.92 4.77 -1.26 -4.72 117.00 127.46 3kbi n LEU 116 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kbi n LEU 116 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3kbi n LEU 116 CO 0.63 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3kbi n GLY 117 N 1.58 -0.74 2.20 -0.72 0.00 -1.26 0.46 105.19 106.72 3kbi n GLY 117 Ca 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 3kbi n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kbi n ASP 118 N 0.74 -1.23 -4.52 1.61 -0.08 -0.88 -4.65 116.55 107.54 3kbi n ASP 118 Ca 0.00 -2.01 -0.24 0.00 -1.51 0.00 0.00 54.79 51.03 3kbi n ASP 118 Cb 0.00 2.09 -0.09 0.00 2.34 0.00 0.00 41.12 45.46 3kbi n ASP 118 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3kbi s LYS 119 N -2.17 1.85 0.00 -0.67 1.02 -1.26 -0.72 119.74 117.79 3kbi s LYS 119 Ca 0.12 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.47 3kbi s LYS 119 Cb -0.02 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 3kbi s LYS 119 CO 0.09 0.35 0.00 0.91 -0.92 0.00 0.00 175.35 175.78 3kbi n TRP 120 N -0.61 0.00 0.00 3.18 8.01 -1.26 -4.91 117.44 121.86 3kbi n TRP 120 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3kbi n TRP 120 Cb 0.59 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 3kbi n TRP 120 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3kbi n ASP 121 N -0.79 0.00 0.06 -0.99 8.00 -1.26 -5.05 116.55 116.52 3kbi n ASP 121 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kbi n ASP 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3kbi n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kbi n GLY 122 N 2.54 -0.67 3.32 0.44 0.00 -1.26 -4.98 105.19 104.58 3kbi n GLY 122 Ca 0.00 0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 3kbi n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kbi s GLU 123 N -2.00 3.75 0.00 1.61 8.01 -1.26 -4.91 118.70 123.90 3kbi s GLU 123 Ca 0.00 -2.73 0.00 0.00 0.01 0.00 0.00 54.97 52.25 3kbi s GLU 123 Cb 0.00 -4.43 0.00 0.00 -4.31 0.00 0.00 34.13 25.39 3kbi s GLU 123 CO 0.00 -1.27 0.00 0.41 0.01 0.00 0.00 175.26 174.41 3kbi n GLY 124 N 3.51 -2.12 3.17 -1.39 0.00 -1.26 -4.88 105.19 102.22 3kbi n GLY 124 Ca 0.17 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3kbi n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kbi s SER 125 N -2.18 0.29 0.28 1.61 1.04 0.10 -4.94 113.70 109.91 3kbi s SER 125 Ca 0.00 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 3kbi s SER 125 Cb 0.00 0.29 -0.07 0.00 0.10 0.00 0.00 66.02 66.34 3kbi s SER 125 CO 0.00 -0.71 0.63 -0.04 0.98 0.00 0.00 173.24 174.10 3kbi s MET 126 N -3.95 3.84 0.00 4.02 -1.94 -1.26 -2.07 119.30 117.93 3kbi s MET 126 Ca 0.13 0.39 0.17 0.00 -1.71 0.00 0.00 55.69 54.67 3kbi s MET 126 Cb 0.06 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.36 3kbi s MET 126 CO -0.05 0.22 0.90 0.66 -0.01 0.00 0.00 175.02 176.74 3kbi n TYR 127 N -0.41 0.00 -4.16 -0.03 4.01 0.17 -4.90 117.16 111.85 3kbi n TYR 127 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3kbi n TYR 127 Cb 0.53 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.46 3kbi n TYR 127 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3kbi s VAL 128 N -1.93 0.39 0.37 -0.72 -7.23 -1.22 -4.99 120.40 105.07 3kbi s VAL 128 Ca 0.14 -1.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 3kbi s VAL 128 Cb 0.14 -1.85 -0.12 0.00 0.56 0.00 0.00 36.38 35.10 3kbi s VAL 128 CO 0.41 -0.69 0.99 -2.65 -0.31 0.00 0.00 175.10 172.85 3kbi n PRO 129 N -0.07 1.34 0.26 4.82 -0.02 -1.26 -4.85 135.00 135.22 3kbi n PRO 129 Ca -0.09 0.48 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3kbi n PRO 129 Cb 0.62 -1.95 0.70 0.00 -0.02 0.00 0.00 33.50 32.86 3kbi n PRO 129 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kbi h GLU 130 N 1.70 0.00 0.00 -0.52 5.08 -1.98 -2.61 114.58 116.25 3kbi h GLU 130 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3kbi h GLU 130 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3kbi h GLU 130 CO 0.58 0.12 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 3kbi n ASP 131 N -3.45 0.00 0.04 1.42 5.75 -1.26 -2.06 116.55 116.99 3kbi n ASP 131 Ca -0.01 -0.64 -0.05 0.00 -0.01 0.00 0.00 54.79 54.09 3kbi n ASP 131 Cb 0.28 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3kbi n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3kbi h LEU 132 N 0.00 0.00 -0.23 -2.12 4.07 -1.82 -3.38 115.31 111.83 3kbi h LEU 132 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 3kbi h LEU 132 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3kbi h LEU 132 CO 0.00 0.84 -0.08 0.25 -1.08 0.00 0.00 178.44 178.37 3kbi h LEU 133 N 0.00 -0.27 -1.56 1.67 5.85 -1.61 0.17 115.31 119.56 3kbi h LEU 133 Ca -0.13 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3kbi h LEU 133 Cb 1.75 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 3kbi h LEU 133 CO 0.09 -0.10 0.01 -0.65 -0.34 0.00 0.00 178.44 177.44 3kbi h PRO 134 N -0.03 0.29 -0.41 5.25 0.11 -1.76 0.12 132.00 135.57 3kbi h PRO 134 Ca 0.11 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 3kbi h PRO 134 Cb 0.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3kbi h PRO 134 CO -0.25 0.31 -0.29 0.28 -0.21 0.00 0.00 178.00 177.83 3kbi h VAL 135 N 0.28 1.27 -0.30 3.15 2.07 -1.46 -0.12 116.25 121.15 3kbi h VAL 135 Ca 0.07 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3kbi h VAL 135 Cb 0.18 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kbi h VAL 135 CO 0.00 0.49 0.09 1.88 0.02 0.00 0.00 177.57 180.05 3kbi h TYR 136 N 0.75 0.48 0.13 1.57 -1.99 0.01 0.77 116.97 118.69 3kbi h TYR 136 Ca 0.08 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3kbi h TYR 136 Cb 0.88 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.47 3kbi h TYR 136 CO 0.06 0.51 -0.06 0.87 -0.00 0.00 0.00 178.16 179.53 3kbi h LYS 137 N 0.32 -0.17 0.00 4.88 1.57 -0.86 0.56 116.57 122.87 3kbi h LYS 137 Ca 0.10 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3kbi h LYS 137 Cb 0.25 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3kbi h LYS 137 CO -0.00 -0.02 -1.11 0.93 -0.57 0.00 0.00 179.45 178.67 3kbi h GLU 138 N -0.28 0.00 0.00 3.15 5.08 -1.05 -3.40 114.58 118.07 3kbi h GLU 138 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3kbi h GLU 138 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3kbi h GLU 138 CO 0.03 0.22 -1.27 1.63 -1.00 0.00 0.00 179.01 178.61 3kbi n LYS 139 N -2.88 0.10 0.13 2.33 4.76 0.16 -4.75 118.16 118.01 3kbi n LYS 139 Ca -0.05 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 3kbi n LYS 139 Cb 0.73 -0.68 -0.03 0.00 -1.84 0.00 0.00 35.03 33.21 3kbi n LYS 139 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kbi h VAL 140 N -0.17 0.04 -0.75 -0.18 2.07 -1.12 -3.29 116.25 112.84 3kbi h VAL 140 Ca -0.12 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.80 3kbi h VAL 140 Cb 1.11 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 3kbi h VAL 140 CO -0.07 0.01 0.36 0.58 0.02 0.00 0.00 177.57 178.46 3kbi h VAL 141 N -1.10 0.77 -0.18 2.57 2.07 -1.13 0.12 116.25 119.38 3kbi h VAL 141 Ca -0.04 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3kbi h VAL 141 Cb 0.33 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3kbi h VAL 141 CO 0.07 0.10 0.19 -0.65 0.02 0.00 0.00 177.57 177.30 3kbi h PRO 142 N 0.57 0.00 0.00 1.57 0.11 -1.70 -1.28 132.00 131.27 3kbi h PRO 142 Ca 0.39 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.36 3kbi h PRO 142 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3kbi h PRO 142 CO -0.32 0.00 -1.41 1.28 -0.21 0.00 0.00 178.00 177.34 3kbi n LEU 143 N -3.89 0.77 -4.76 2.35 4.77 -0.10 -4.74 117.00 111.40 3kbi n LEU 143 Ca 0.01 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 3kbi n LEU 143 Cb 0.31 0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3kbi n LEU 143 CO 0.28 0.09 0.82 0.00 -1.33 0.00 0.00 177.39 177.25 3kbi s ALA 144 N -3.02 2.58 -0.07 -1.18 0.00 -0.42 -4.70 121.76 114.95 3kbi s ALA 144 Ca -0.03 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3kbi s ALA 144 Cb 0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3kbi s ALA 144 CO 0.81 -1.06 0.03 -0.25 0.00 0.00 0.00 175.76 175.29 3kbi n ASP 145 N -1.56 3.30 -3.75 0.00 8.00 -0.24 -2.66 116.55 119.65 3kbi n ASP 145 Ca 0.13 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 3kbi n ASP 145 Cb 0.50 0.69 -0.17 0.00 -0.02 0.00 0.00 41.12 42.12 3kbi n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kbi s ILE 146 N -2.18 0.14 0.13 0.53 1.01 -1.07 -1.71 121.20 118.05 3kbi s ILE 146 Ca -0.03 0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.93 3kbi s ILE 146 Cb 0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 3kbi s ILE 146 CO 0.28 0.20 -0.21 0.27 0.00 0.00 0.00 174.94 175.48 3kbi s ILE 147 N 1.75 1.88 -0.44 2.92 -4.36 -0.54 0.06 121.20 122.47 3kbi s ILE 147 Ca 0.00 -1.73 0.10 0.00 -0.26 0.00 0.00 60.65 58.76 3kbi s ILE 147 Cb -0.13 -1.75 0.37 0.00 1.25 0.00 0.00 42.46 42.20 3kbi s ILE 147 CO -0.03 -0.12 0.88 0.35 0.24 0.00 0.00 174.94 176.26 3kbi n THR 148 N 0.75 1.43 -2.37 8.37 -2.24 -1.02 -1.76 114.28 117.44 3kbi n THR 148 Ca -0.17 -4.76 -0.33 0.00 -2.27 0.00 0.00 64.05 56.52 3kbi n THR 148 Cb 0.55 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 3kbi n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kbi s PRO 149 N -3.02 3.66 0.61 -0.78 0.04 -1.17 -4.56 135.00 129.78 3kbi s PRO 149 Ca 0.42 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 3kbi s PRO 149 Cb 0.35 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.94 3kbi s PRO 149 CO -0.10 -0.54 0.84 0.27 0.04 0.00 0.00 177.00 177.52 3kbi n ASN 150 N -1.38 0.61 -0.03 6.66 0.23 -1.26 -1.71 115.26 118.38 3kbi n ASN 150 Ca 0.09 -1.63 -0.09 0.00 -0.53 0.00 0.00 54.58 52.42 3kbi n ASN 150 Cb 0.53 -0.59 -0.03 0.00 -2.08 0.00 0.00 39.78 37.61 3kbi n ASN 150 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3kbi h GLN 151 N 0.00 0.01 -0.66 -3.83 4.15 -1.17 -0.17 115.11 113.44 3kbi h GLN 151 Ca -0.27 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.25 3kbi h GLN 151 Cb 0.89 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.50 3kbi h GLN 151 CO 0.25 0.01 0.28 0.35 -1.93 0.00 0.00 178.83 177.78 3kbi h PHE 152 N 0.01 0.49 -0.29 3.99 3.57 -1.90 -1.15 116.94 121.66 3kbi h PHE 152 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3kbi h PHE 152 Cb 0.13 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kbi h PHE 152 CO -0.20 0.14 -0.40 0.93 -2.23 0.00 0.00 178.31 176.54 3kbi h GLU 153 N 0.47 0.69 -0.77 1.11 5.08 -1.73 -2.03 114.58 117.41 3kbi h GLU 153 Ca 0.34 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3kbi h GLU 153 Cb 0.41 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3kbi h GLU 153 CO -0.31 0.97 0.33 0.00 -1.00 0.00 0.00 179.01 179.01 3kbi h ALA 154 N 0.98 1.14 -0.26 3.43 0.00 -0.25 -0.61 119.26 123.70 3kbi h ALA 154 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kbi h ALA 154 Cb 0.94 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kbi h ALA 154 CO 0.09 0.63 0.00 0.93 0.00 0.00 0.00 179.25 180.90 3kbi h GLU 155 N 1.10 0.46 -0.51 0.00 5.08 -1.07 -0.42 114.58 119.22 3kbi h GLU 155 Ca 0.26 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3kbi h GLU 155 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kbi h GLU 155 CO -0.03 0.62 0.22 -0.07 -1.00 0.00 0.00 179.01 178.75 3kbi h LEU 156 N 0.24 0.69 -0.41 1.33 3.38 -1.13 0.83 115.31 120.24 3kbi h LEU 156 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3kbi h LEU 156 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kbi h LEU 156 CO 0.01 0.65 -0.02 -0.07 0.09 0.00 0.00 178.44 179.11 3kbi h LEU 157 N 0.69 0.73 0.02 1.67 3.38 -1.05 -3.18 115.31 117.56 3kbi h LEU 157 Ca 0.17 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 3kbi h LEU 157 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kbi h LEU 157 CO -0.02 0.87 -1.06 0.77 0.09 0.00 0.00 178.44 179.09 3kbi h SER 158 N 0.57 0.05 0.00 -0.43 4.64 -0.96 -3.48 113.55 113.94 3kbi h SER 158 Ca 0.12 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kbi h SER 158 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kbi h SER 158 CO 0.02 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 3kbi n GLY 159 N 1.38 0.46 2.92 -0.77 0.00 0.29 -5.05 105.19 104.42 3kbi n GLY 159 Ca -0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3kbi n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbi s ARG 160 N -3.21 0.12 0.40 1.61 3.52 -1.05 -5.04 118.95 115.30 3kbi s ARG 160 Ca 0.00 -0.16 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 3kbi s ARG 160 Cb 0.00 0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.37 3kbi s ARG 160 CO 0.00 -0.02 0.76 0.21 -0.81 0.00 0.00 175.30 175.44 3kbi s LYS 161 N -0.43 3.78 -0.21 5.12 2.20 -1.26 -4.31 119.74 124.63 3kbi s LYS 161 Ca -0.05 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 56.02 3kbi s LYS 161 Cb -0.03 -2.40 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 3kbi s LYS 161 CO -0.00 -0.02 -0.13 0.42 -0.36 0.00 0.00 175.35 175.26 3kbi s ILE 162 N -2.35 2.52 -0.37 5.43 1.01 -1.26 -4.95 121.20 121.24 3kbi s ILE 162 Ca 0.51 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3kbi s ILE 162 Cb -0.10 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3kbi s ILE 162 CO 0.31 0.38 0.37 1.41 0.00 0.00 0.00 174.94 177.41 3kbi n HIS 163 N 4.65 0.00 -3.91 3.97 8.25 -1.26 -5.00 115.22 121.92 3kbi n HIS 163 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 3kbi n HIS 163 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 3kbi n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kbi s SER 164 N -1.03 -0.06 0.15 0.41 1.04 -1.26 -4.95 113.70 108.01 3kbi s SER 164 Ca 0.03 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 3kbi s SER 164 Cb 0.04 0.71 0.01 0.00 0.10 0.00 0.00 66.02 66.88 3kbi s SER 164 CO 0.13 -1.36 1.77 -0.61 0.98 0.00 0.00 173.24 174.15 3kbi h GLN 165 N 2.08 0.57 -0.45 4.02 4.15 -1.97 -0.57 115.11 122.94 3kbi h GLN 165 Ca -0.25 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 3kbi h GLN 165 Cb 1.25 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3kbi h GLN 165 CO 0.32 0.44 0.13 1.05 -1.93 0.00 0.00 178.83 178.84 3kbi h GLU 166 N 0.55 0.67 -0.31 1.69 4.11 -1.99 0.07 114.58 119.37 3kbi h GLU 166 Ca 0.15 -0.11 -0.15 0.00 0.07 0.00 0.00 59.36 59.32 3kbi h GLU 166 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kbi h GLU 166 CO -0.03 0.59 -0.41 0.93 0.07 0.00 0.00 179.01 180.17 3kbi h GLU 167 N 0.65 0.75 -0.20 1.06 5.08 -1.87 -1.79 114.58 118.26 3kbi h GLU 167 Ca 0.15 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3kbi h GLU 167 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3kbi h GLU 167 CO -0.01 1.02 0.11 0.00 -1.00 0.00 0.00 179.01 179.13 3kbi h ALA 168 N 0.93 0.26 -0.91 3.43 0.00 -0.28 -0.78 119.26 121.91 3kbi h ALA 168 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kbi h ALA 168 Cb 0.96 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3kbi h ALA 168 CO 0.09 -0.21 0.60 -0.07 0.00 0.00 0.00 179.25 179.66 3kbi h LEU 169 N 0.23 1.01 -0.91 0.00 3.38 -0.90 0.23 115.31 118.35 3kbi h LEU 169 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kbi h LEU 169 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kbi h LEU 169 CO -0.01 0.72 0.19 -0.09 0.09 0.00 0.00 178.44 179.34 3kbi h ARG 170 N 1.19 1.00 -0.34 1.13 9.65 -0.92 -0.53 114.38 125.56 3kbi h ARG 170 Ca 0.35 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3kbi h ARG 170 Cb -0.07 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 3kbi h ARG 170 CO -0.09 0.86 -0.01 0.28 2.80 0.00 0.00 179.97 183.82 3kbi h VAL 171 N 0.96 1.26 -0.77 0.20 2.07 0.33 -2.01 116.25 118.29 3kbi h VAL 171 Ca 0.21 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3kbi h VAL 171 Cb 0.29 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3kbi h VAL 171 CO -0.01 0.32 0.51 0.24 0.02 0.00 0.00 177.57 178.65 3kbi h MET 172 N 0.40 0.79 -0.32 1.57 2.86 -0.10 0.13 114.93 120.25 3kbi h MET 172 Ca 0.09 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3kbi h MET 172 Cb 0.46 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3kbi h MET 172 CO 0.02 0.52 -0.15 -0.44 1.06 0.00 0.00 176.91 177.92 3kbi h ASP 173 N 0.81 0.57 -0.49 1.22 3.32 -0.78 -0.29 116.42 120.78 3kbi h ASP 173 Ca 0.33 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3kbi h ASP 173 Cb 0.26 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3kbi h ASP 173 CO -0.12 0.74 -0.09 0.24 -1.72 0.00 0.00 179.24 178.29 3kbi h MET 174 N 0.52 0.92 -0.49 3.56 2.86 -0.14 -1.48 114.93 120.69 3kbi h MET 174 Ca 0.09 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3kbi h MET 174 Cb 0.57 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3kbi h MET 174 CO 0.04 1.00 -0.05 -0.07 1.06 0.00 0.00 176.91 178.88 3kbi h LEU 175 N 0.78 0.83 -0.42 1.22 3.38 -0.57 -1.70 115.31 118.84 3kbi h LEU 175 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kbi h LEU 175 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kbi h LEU 175 CO 0.04 0.93 0.25 0.45 0.09 0.00 0.00 178.44 180.20 3kbi h HIS 176 N 0.78 0.56 0.00 1.13 3.86 -0.78 -1.81 115.15 118.89 3kbi h HIS 176 Ca 0.14 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 3kbi h HIS 176 Cb 0.54 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3kbi h HIS 176 CO 0.03 0.41 -0.14 0.66 0.86 0.00 0.00 177.93 179.75 3kbi h SER 177 N 0.55 0.00 1.09 2.45 4.64 -0.89 -0.21 113.55 121.18 3kbi h SER 177 Ca 0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3kbi h SER 177 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3kbi h SER 177 CO -0.03 0.14 -0.17 0.24 -0.87 0.00 0.00 176.83 176.14 3kbi h MET 178 N 0.00 0.00 0.00 4.77 2.07 -0.47 -3.48 114.93 117.82 3kbi h MET 178 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3kbi h MET 178 Cb 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 3kbi h MET 178 CO 0.02 0.17 0.00 0.41 1.07 0.00 0.00 176.91 178.58 3kbi n GLY 179 N 0.29 -0.18 3.75 8.32 0.00 -0.09 -3.79 105.19 113.49 3kbi n GLY 179 Ca 0.01 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3kbi n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kbi s PRO 180 N 0.00 4.21 0.33 1.61 0.04 -1.09 -4.86 135.00 135.25 3kbi s PRO 180 Ca 0.00 2.42 0.24 0.00 0.04 0.00 0.00 61.00 63.70 3kbi s PRO 180 Cb 0.00 -3.07 0.55 0.00 0.04 0.00 0.00 34.50 32.02 3kbi s PRO 180 CO 0.00 -0.50 1.68 -0.44 0.04 0.00 0.00 177.00 177.78 3kbi h ASP 181 N 4.82 0.00 -3.24 6.66 3.32 -1.65 -3.37 116.42 122.96 3kbi h ASP 181 Ca -0.47 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 3kbi h ASP 181 Cb 1.22 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.40 3kbi h ASP 181 CO 0.77 0.00 -0.82 -0.89 -1.72 0.00 0.00 179.24 176.59 3kbi s THR 182 N -3.16 1.49 -0.09 0.35 2.01 -0.69 0.19 115.64 115.74 3kbi s THR 182 Ca 0.09 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.41 3kbi s THR 182 Cb 0.08 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.11 3kbi s THR 182 CO 0.64 0.33 -0.21 -0.69 -0.69 0.00 0.00 174.62 174.00 3kbi s VAL 183 N 1.50 1.80 -0.19 3.82 1.01 0.29 -1.47 120.40 127.16 3kbi s VAL 183 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3kbi s VAL 183 Cb -0.14 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.72 3kbi s VAL 183 CO -0.09 0.50 -0.01 -0.69 0.00 0.00 0.00 175.10 174.81 3kbi s VAL 184 N 0.45 0.90 -0.80 2.92 1.01 -0.72 -0.39 120.40 123.76 3kbi s VAL 184 Ca -0.17 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3kbi s VAL 184 Cb -0.17 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.02 3kbi s VAL 184 CO 0.07 -0.09 1.15 -0.63 0.00 0.00 0.00 175.10 175.60 3kbi s ILE 185 N 1.70 4.24 0.63 2.22 1.01 -0.02 -3.05 121.20 127.93 3kbi s ILE 185 Ca -0.02 -0.57 0.33 0.00 0.00 0.00 0.00 60.65 60.39 3kbi s ILE 185 Cb -0.17 -4.82 0.33 0.00 0.01 0.00 0.00 42.46 37.82 3kbi s ILE 185 CO -0.07 -1.63 2.02 0.71 0.00 0.00 0.00 174.94 175.96 3kbi h THR 186 N 6.09 0.00 -1.52 2.92 1.35 -1.57 -2.82 112.91 117.37 3kbi h THR 186 Ca -0.10 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.90 3kbi h THR 186 Cb 1.05 0.74 -0.23 0.00 -1.73 0.00 0.00 68.15 67.98 3kbi h THR 186 CO 1.23 0.00 0.65 -0.94 -0.25 0.00 0.00 175.52 176.21 3kbi s SER 187 N -4.58 -0.28 0.19 5.36 1.04 -1.25 -4.69 113.70 109.49 3kbi s SER 187 Ca -0.04 0.25 -0.23 0.00 0.48 0.00 0.00 55.95 56.41 3kbi s SER 187 Cb 0.10 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.51 3kbi s SER 187 CO 0.30 -0.29 0.78 -0.94 0.98 0.00 0.00 173.24 174.06 3kbi s SER 188 N -1.33 -0.32 -0.51 7.02 1.04 -1.18 -0.55 113.70 117.87 3kbi s SER 188 Ca 0.02 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 3kbi s SER 188 Cb -0.01 0.60 0.17 0.00 0.10 0.00 0.00 66.02 66.88 3kbi s SER 188 CO -0.02 -1.06 2.46 0.47 0.98 0.00 0.00 173.24 176.07 3kbi n ASP 189 N -0.42 6.75 -4.89 7.02 8.00 -1.26 -3.93 116.55 127.82 3kbi n ASP 189 Ca -0.08 -3.33 -0.34 0.00 0.71 0.00 0.00 54.79 51.75 3kbi n ASP 189 Cb 0.61 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.50 3kbi n ASP 189 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kbi s LEU 190 N -2.56 4.36 0.38 0.64 1.43 -1.26 -5.04 118.68 116.62 3kbi s LEU 190 Ca 0.53 0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 53.94 3kbi s LEU 190 Cb 0.38 -2.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 3kbi s LEU 190 CO -0.20 0.22 1.21 -2.65 0.23 0.00 0.00 176.35 175.16 3kbi n PRO 191 N 0.95 1.86 -4.41 1.29 -0.02 -1.26 -4.68 135.00 128.73 3kbi n PRO 191 Ca -0.10 0.66 -0.25 0.00 -2.02 0.00 0.00 63.50 61.80 3kbi n PRO 191 Cb 0.53 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 3kbi n PRO 191 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kbi s SER 192 N -0.49 1.77 0.63 2.55 0.15 -1.26 -4.99 113.70 112.07 3kbi s SER 192 Ca 0.59 -0.28 0.23 0.00 0.70 0.00 0.00 55.95 57.19 3kbi s SER 192 Cb -0.55 -0.79 1.14 0.00 -1.71 0.00 0.00 66.02 64.11 3kbi s SER 192 CO 0.60 -0.00 1.63 -0.65 1.20 0.00 0.00 173.24 176.01 3kbi h PRO 193 N 7.22 0.00 -0.18 5.44 0.11 -1.99 0.49 132.00 143.08 3kbi h PRO 193 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kbi h PRO 193 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kbi h PRO 193 CO 0.46 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.29 3kbi n GLN 194 N -3.09 2.21 0.00 1.05 6.02 -1.26 -5.08 117.38 117.23 3kbi n GLN 194 Ca 0.05 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 3kbi n GLN 194 Cb 0.76 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3kbi n GLN 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kbi n GLY 195 N 1.35 -1.17 0.00 1.08 0.00 0.17 -4.68 105.19 101.95 3kbi n GLY 195 Ca 0.17 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 44.10 3kbi n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbi n SER 196 N 0.00 0.04 -0.21 1.61 7.64 -1.26 -3.11 113.62 118.32 3kbi n SER 196 Ca 0.00 0.50 0.09 0.00 1.01 0.00 0.00 58.87 60.47 3kbi n SER 196 Cb 0.00 -0.51 0.42 0.00 -1.01 0.00 0.00 64.21 63.11 3kbi n SER 196 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kbi n ASN 197 N -1.53 0.63 -4.26 6.43 4.13 -1.26 -4.82 115.26 114.57 3kbi n ASN 197 Ca 0.07 -1.60 -0.25 0.00 1.68 0.00 0.00 54.58 54.48 3kbi n ASN 197 Cb 0.34 -0.05 -0.14 0.00 -1.54 0.00 0.00 39.78 38.40 3kbi n ASN 197 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3kbi s TYR 198 N -1.91 1.82 0.25 3.10 1.51 -1.18 0.22 117.35 121.17 3kbi s TYR 198 Ca 0.26 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.03 3kbi s TYR 198 Cb 0.13 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 3kbi s TYR 198 CO 0.21 0.12 -0.01 -0.48 -1.11 0.00 0.00 175.55 174.27 3kbi s LEU 199 N -1.36 3.17 -0.11 -1.29 0.05 0.10 -4.81 118.68 114.43 3kbi s LEU 199 Ca 0.07 -0.63 -0.02 0.00 0.05 0.00 0.00 54.13 53.60 3kbi s LEU 199 Cb -0.09 -1.72 -0.03 0.00 -2.05 0.00 0.00 46.19 42.30 3kbi s LEU 199 CO 0.02 0.02 -0.04 -0.63 -0.55 0.00 0.00 176.35 175.17 3kbi s ILE 200 N -2.24 3.93 -0.12 1.48 -1.09 -1.25 -0.66 121.20 121.25 3kbi s ILE 200 Ca 0.31 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 3kbi s ILE 200 Cb -0.07 -2.67 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3kbi s ILE 200 CO 0.19 0.55 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.59 3kbi s VAL 201 N -0.29 2.63 -0.03 2.92 1.01 -0.05 -3.13 120.40 123.47 3kbi s VAL 201 Ca 0.05 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3kbi s VAL 201 Cb -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kbi s VAL 201 CO 0.02 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 3kbi s LEU 202 N 0.33 2.01 0.02 3.92 1.43 -1.06 -0.76 118.68 124.56 3kbi s LEU 202 Ca -0.14 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3kbi s LEU 202 Cb -0.17 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 3kbi s LEU 202 CO 0.07 0.22 -0.08 -0.83 0.23 0.00 0.00 176.35 175.96 3kbi s GLY 203 N -0.30 0.46 -0.06 -3.19 0.00 -0.72 -0.84 107.32 102.67 3kbi s GLY 203 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 3kbi s GLY 203 CO 0.00 -0.57 0.12 -0.45 0.00 0.00 0.00 173.10 172.20 3kbi s SER 204 N -0.94 -0.09 -0.05 1.64 0.15 0.47 -0.82 113.70 114.07 3kbi s SER 204 Ca -0.03 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.87 3kbi s SER 204 Cb -0.07 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3kbi s SER 204 CO 0.00 -0.13 -0.03 -1.58 1.20 0.00 0.00 173.24 172.71 3kbi s GLN 205 N 0.97 0.73 -0.11 5.44 0.74 -0.01 -0.55 119.66 126.87 3kbi s GLN 205 Ca -0.08 -0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.27 3kbi s GLN 205 Cb -0.10 -0.84 -0.03 0.00 1.10 0.00 0.00 33.01 33.14 3kbi s GLN 205 CO -0.05 -0.14 -0.01 1.03 -0.55 0.00 0.00 175.29 175.58 3kbi s ARG 206 N 1.18 3.20 0.02 1.67 0.52 0.13 -0.45 118.95 125.22 3kbi s ARG 206 Ca -0.07 -0.43 -0.24 0.00 -0.52 0.00 0.00 55.73 54.46 3kbi s ARG 206 Cb -0.14 -2.84 0.06 0.00 0.52 0.00 0.00 34.95 32.55 3kbi s ARG 206 CO -0.01 0.56 0.56 -0.98 0.02 0.00 0.00 175.30 175.45 3kbi s ARG 207 N -0.50 1.04 -0.29 3.54 1.70 -0.30 -4.75 118.95 119.39 3kbi s ARG 207 Ca 0.09 -0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 55.08 3kbi s ARG 207 Cb -0.12 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 3kbi s ARG 207 CO 0.02 -0.36 0.45 0.50 -1.08 0.00 0.00 175.30 174.83 3kbi s ARG 208 N -2.10 3.89 0.88 3.89 3.52 -1.26 -0.76 118.95 127.01 3kbi s ARG 208 Ca -0.07 0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.43 3kbi s ARG 208 Cb -0.01 -3.71 0.12 0.00 -1.56 0.00 0.00 34.95 29.80 3kbi s ARG 208 CO 0.01 -0.42 1.19 0.54 -0.81 0.00 0.00 175.30 175.82 3kbi s ASN 209 N 1.65 3.88 0.25 -2.12 2.20 0.60 -4.84 114.94 116.56 3kbi s ASN 209 Ca 0.17 0.74 -0.10 0.00 -0.94 0.00 0.00 52.86 52.74 3kbi s ASN 209 Cb -0.16 -1.17 0.38 0.00 -2.00 0.00 0.00 41.25 38.30 3kbi s ASN 209 CO 0.11 -2.30 1.60 -0.65 -2.94 0.00 0.00 177.10 172.92 3kbi h PRO 210 N -1.33 0.01 0.00 3.55 0.11 -1.98 0.97 132.00 133.34 3kbi h PRO 210 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kbi h PRO 210 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kbi h PRO 210 CO 0.59 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3kbi n ALA 211 N -3.27 1.16 -0.29 -0.75 0.00 -1.26 -4.81 120.51 111.29 3kbi n ALA 211 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3kbi n ALA 211 Cb 0.44 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3kbi n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbi n GLY 212 N -1.10 0.83 3.77 0.00 0.00 0.33 -5.06 105.19 103.96 3kbi n GLY 212 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kbi n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kbi s SER 213 N -2.13 7.11 -0.42 1.61 0.01 -1.24 -4.75 113.70 113.89 3kbi s SER 213 Ca 0.00 1.32 -0.23 0.00 1.31 0.00 0.00 55.95 58.35 3kbi s SER 213 Cb 0.00 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.84 3kbi s SER 213 CO 0.00 0.11 0.78 -0.69 0.41 0.00 0.00 173.24 173.86 3kbi s VAL 214 N -0.40 4.68 0.41 3.43 1.01 -1.26 -0.29 120.40 127.98 3kbi s VAL 214 Ca 0.34 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.95 3kbi s VAL 214 Cb -0.20 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 3kbi s VAL 214 CO 0.20 -0.62 0.05 0.68 0.00 0.00 0.00 175.10 175.41 3kbi s VAL 215 N 3.23 2.05 -0.02 2.92 -7.23 0.06 -4.95 120.40 116.45 3kbi s VAL 215 Ca 0.30 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3kbi s VAL 215 Cb -0.12 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.86 3kbi s VAL 215 CO 0.21 0.00 -0.01 -0.32 -0.31 0.00 0.00 175.10 174.67 3kbi s MET 216 N -3.76 0.23 -0.11 4.82 1.75 -1.26 -1.15 119.30 119.82 3kbi s MET 216 Ca 0.36 0.02 -0.00 0.00 -1.25 0.00 0.00 55.69 54.82 3kbi s MET 216 Cb 0.08 -0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.39 3kbi s MET 216 CO 0.19 -0.06 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.40 3kbi s GLU 217 N 0.60 3.14 -0.03 4.11 2.12 0.40 -4.95 118.70 124.10 3kbi s GLU 217 Ca -0.06 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.70 3kbi s GLU 217 Cb -0.09 -2.64 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 3kbi s GLU 217 CO -0.01 0.40 -0.18 1.03 -0.54 0.00 0.00 175.26 175.96 3kbi s ARG 218 N -0.12 1.69 0.23 4.30 0.52 -1.26 -0.83 118.95 123.48 3kbi s ARG 218 Ca 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3kbi s ARG 218 Cb -0.13 -1.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.77 3kbi s ARG 218 CO 0.03 0.30 0.07 0.96 0.02 0.00 0.00 175.30 176.68 3kbi s ILE 219 N -0.13 0.51 -0.04 1.52 -5.25 0.00 -1.00 121.20 116.81 3kbi s ILE 219 Ca 0.00 -1.99 -0.11 0.00 -0.99 0.00 0.00 60.65 57.56 3kbi s ILE 219 Cb -0.10 -2.47 0.02 0.00 2.95 0.00 0.00 42.46 42.86 3kbi s ILE 219 CO 0.01 -0.14 0.25 -0.60 -1.79 0.00 0.00 174.94 172.67 3kbi s ARG 220 N -4.02 0.47 0.01 0.37 3.52 -0.37 -1.76 118.95 117.17 3kbi s ARG 220 Ca 0.34 -0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 3kbi s ARG 220 Cb 0.07 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 3kbi s ARG 220 CO 0.11 -0.11 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.82 3kbi s MET 221 N -0.74 0.25 -0.34 5.12 -1.94 0.06 0.20 119.30 121.91 3kbi s MET 221 Ca -0.08 -0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 53.63 3kbi s MET 221 Cb -0.04 -0.16 0.07 0.00 2.01 0.00 0.00 34.83 36.71 3kbi s MET 221 CO 0.02 0.04 0.07 -0.51 -0.01 0.00 0.00 175.02 174.63 3kbi s ASP 222 N -0.45 5.03 -0.13 3.03 1.11 -1.26 -0.87 116.67 123.12 3kbi s ASP 222 Ca -0.03 -1.54 -0.05 0.00 0.18 0.00 0.00 52.55 51.12 3kbi s ASP 222 Cb -0.03 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.17 3kbi s ASP 222 CO -0.00 -0.36 0.04 -0.63 1.18 0.00 0.00 175.17 175.41 3kbi s ILE 223 N 1.21 4.66 0.10 0.77 1.09 0.16 -4.90 121.20 124.29 3kbi s ILE 223 Ca -0.00 -0.10 -0.31 0.00 -1.10 0.00 0.00 60.65 59.14 3kbi s ILE 223 Cb -0.21 -3.02 -0.09 0.00 -1.06 0.00 0.00 42.46 38.08 3kbi s ILE 223 CO -0.02 0.56 1.72 -0.60 -0.10 0.00 0.00 174.94 176.49 3kbi s ARG 224 N -0.43 4.17 1.01 2.79 6.06 -1.26 0.03 118.95 131.32 3kbi s ARG 224 Ca 0.09 2.44 -0.13 0.00 -2.50 0.00 0.00 55.73 55.64 3kbi s ARG 224 Cb -0.12 -3.54 0.19 0.00 0.06 0.00 0.00 34.95 31.54 3kbi s ARG 224 CO 0.02 -0.77 1.10 0.15 -2.50 0.00 0.00 175.30 173.31 3kbi s LYS 225 N 2.50 0.34 -0.00 5.12 1.02 0.13 -4.86 119.74 124.00 3kbi s LYS 225 Ca 0.76 0.40 0.04 0.00 0.02 0.00 0.00 55.97 57.19 3kbi s LYS 225 Cb -0.43 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 3kbi s LYS 225 CO 0.34 -2.76 -0.12 0.08 -0.92 0.00 0.00 175.35 171.96 3kbi s VAL 226 N -3.03 0.98 -0.77 3.17 1.01 -1.26 -4.99 120.40 115.51 3kbi s VAL 226 Ca 0.66 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3kbi s VAL 226 Cb -0.17 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3kbi s VAL 226 CO 0.57 0.24 2.92 -0.67 0.00 0.00 0.00 175.10 178.16 3kbi n ASP 227 N 2.68 6.98 -3.47 3.32 2.03 -1.26 -4.84 116.55 121.99 3kbi n ASP 227 Ca -0.14 -2.90 -0.11 0.00 0.52 0.00 0.00 54.79 52.15 3kbi n ASP 227 Cb 0.56 -1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 39.56 3kbi n ASP 227 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kbi s ALA 228 N -0.23 -1.71 -0.35 -1.67 0.00 -1.26 -5.06 121.76 111.48 3kbi s ALA 228 Ca 0.62 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3kbi s ALA 228 Cb 0.28 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3kbi s ALA 228 CO -0.11 -0.68 0.21 0.08 0.00 0.00 0.00 175.76 175.26 3kbi s VAL 229 N -3.16 4.85 0.08 0.00 1.01 -1.26 -5.07 120.40 116.86 3kbi s VAL 229 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3kbi s VAL 229 Cb -0.01 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3kbi s VAL 229 CO -0.09 -0.07 0.07 -0.36 0.00 0.00 0.00 175.10 174.65 3kbi s PHE 230 N 1.64 3.17 0.04 5.22 0.08 -1.26 -5.00 117.98 121.86 3kbi s PHE 230 Ca 0.04 0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.25 3kbi s PHE 230 Cb -0.18 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3kbi s PHE 230 CO 0.08 0.52 -0.25 0.08 -0.10 0.00 0.00 175.22 175.54 3kbi s VAL 231 N -1.38 2.23 0.00 -0.44 1.01 -1.26 -4.68 120.40 115.88 3kbi s VAL 231 Ca 0.29 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3kbi s VAL 231 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3kbi s VAL 231 CO 0.22 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3kbi n GLY 232 N 1.83 1.17 0.25 4.51 0.00 -1.26 -4.73 105.19 106.96 3kbi n GLY 232 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 3kbi n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kbi h THR 233 N 0.00 1.25 -0.14 2.61 1.35 -1.88 -0.85 112.91 115.25 3kbi h THR 233 Ca 0.00 -1.17 -0.13 0.00 -0.55 0.00 0.00 66.41 64.56 3kbi h THR 233 Cb 0.00 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3kbi h THR 233 CO 0.00 0.38 -0.48 1.23 -0.25 0.00 0.00 175.52 176.40 3kbi h GLY 234 N 0.98 0.39 1.10 5.82 0.00 -1.94 0.16 103.07 109.58 3kbi h GLY 234 Ca 0.08 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3kbi h GLY 234 CO 0.04 0.37 -0.37 -0.55 0.00 0.00 0.00 176.54 176.03 3kbi h ASP 235 N 0.28 0.96 -0.34 0.19 3.32 -1.83 -2.06 116.42 116.95 3kbi h ASP 235 Ca 0.02 -0.47 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 3kbi h ASP 235 Cb 0.95 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3kbi h ASP 235 CO 0.08 1.23 -0.30 0.25 -1.72 0.00 0.00 179.24 178.78 3kbi h LEU 236 N 0.71 0.90 -0.20 1.55 5.85 -0.99 -2.32 115.31 120.82 3kbi h LEU 236 Ca 0.06 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kbi h LEU 236 Cb 0.96 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3kbi h LEU 236 CO 0.09 1.13 0.13 0.15 -0.34 0.00 0.00 178.44 179.60 3kbi h PHE 237 N 0.73 0.25 -0.70 1.25 3.57 -0.59 -1.25 116.94 120.20 3kbi h PHE 237 Ca 0.08 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3kbi h PHE 237 Cb 0.86 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3kbi h PHE 237 CO 0.05 0.16 0.20 0.00 -2.23 0.00 0.00 178.31 176.49 3kbi h ALA 238 N 1.07 1.02 -0.41 2.41 0.00 -1.31 0.07 119.26 122.11 3kbi h ALA 238 Ca 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3kbi h ALA 238 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kbi h ALA 238 CO -0.02 0.65 0.06 0.00 0.00 0.00 0.00 179.25 179.94 3kbi h ALA 239 N 1.16 0.55 -0.17 0.00 0.00 -1.20 -1.50 119.26 118.09 3kbi h ALA 239 Ca 0.23 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3kbi h ALA 239 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kbi h ALA 239 CO -0.00 0.28 -0.48 0.52 0.00 0.00 0.00 179.25 179.56 3kbi h MET 240 N 0.54 0.45 -0.77 0.00 2.07 -1.06 -1.71 114.93 114.45 3kbi h MET 240 Ca 0.12 -0.26 -0.03 0.00 -2.07 0.00 0.00 59.70 57.47 3kbi h MET 240 Cb 0.39 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.10 3kbi h MET 240 CO 0.01 0.84 0.37 1.25 1.07 0.00 0.00 176.91 180.44 3kbi h LEU 241 N 0.36 1.02 -0.06 1.22 5.85 -0.86 0.23 115.31 123.07 3kbi h LEU 241 Ca 0.02 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3kbi h LEU 241 Cb 0.98 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3kbi h LEU 241 CO 0.09 0.87 -0.01 0.25 -0.34 0.00 0.00 178.44 179.29 3kbi h LEU 242 N 1.10 -0.06 -0.35 2.25 6.46 -0.97 -0.14 115.31 123.61 3kbi h LEU 242 Ca 0.27 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 3kbi h LEU 242 Cb 0.13 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 3kbi h LEU 242 CO -0.03 -0.02 0.13 0.00 -0.62 0.00 0.00 178.44 177.90 3kbi h ALA 243 N 1.06 0.45 0.00 1.25 0.00 -0.66 -2.25 119.26 119.11 3kbi h ALA 243 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3kbi h ALA 243 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kbi h ALA 243 CO -0.06 0.06 -0.59 -1.49 0.00 0.00 0.00 179.25 177.17 3kbi h TRP 244 N 0.41 0.00 0.00 0.00 -0.00 -0.50 -2.50 115.95 113.36 3kbi h TRP 244 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.87 3kbi h TRP 244 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 3kbi h TRP 244 CO -0.00 0.59 -0.66 1.79 -0.00 0.00 0.00 178.44 180.16 3kbi h THR 245 N 0.00 1.30 -0.37 1.49 1.35 -1.03 -1.02 112.91 114.62 3kbi h THR 245 Ca -0.01 -2.39 -0.08 0.00 -0.55 0.00 0.00 66.41 63.38 3kbi h THR 245 Cb 1.36 2.35 -0.02 0.00 -1.73 0.00 0.00 68.15 70.12 3kbi h THR 245 CO 0.08 0.64 -0.12 -0.74 -0.25 0.00 0.00 175.52 175.13 3kbi h HIS 246 N 0.00 0.71 0.00 4.73 -0.00 -1.23 -0.24 115.15 119.12 3kbi h HIS 246 Ca -0.01 -0.12 -0.22 0.00 -0.00 0.00 0.00 60.37 60.02 3kbi h HIS 246 Cb 1.30 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.49 3kbi h HIS 246 CO 0.00 0.74 -1.12 0.87 -0.00 0.00 0.00 177.93 178.42 3kbi h LYS 247 N 0.59 0.00 -2.08 5.26 6.56 -1.34 -3.38 116.57 122.19 3kbi h LYS 247 Ca 0.10 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.12 3kbi h LYS 247 Cb 0.55 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.81 3kbi h LYS 247 CO 0.03 0.85 -0.90 0.72 -2.06 0.00 0.00 179.45 178.09 3kbi n HIS 248 N -3.27 1.26 0.28 -1.35 8.25 -0.40 -4.98 115.22 115.02 3kbi n HIS 248 Ca -0.03 -3.80 0.14 0.00 -0.26 0.00 0.00 57.72 53.76 3kbi n HIS 248 Cb 0.95 -0.43 0.84 0.00 1.12 0.00 0.00 29.99 32.46 3kbi n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kbi h PRO 249 N 4.07 0.00 -0.22 -0.41 0.13 -1.23 -2.80 132.00 131.53 3kbi h PRO 249 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kbi h PRO 249 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3kbi h PRO 249 CO 0.61 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 3kbi n ASN 250 N -3.89 3.48 -3.51 1.44 3.02 -1.26 -4.80 115.26 109.73 3kbi n ASN 250 Ca -0.03 -2.88 -0.28 0.00 -0.03 0.00 0.00 54.58 51.36 3kbi n ASN 250 Cb 0.12 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 3kbi n ASN 250 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kbi s ASN 251 N -1.95 2.41 0.23 6.41 3.84 -1.06 -4.97 114.94 119.86 3kbi s ASN 251 Ca 0.37 -2.99 -0.07 0.00 0.21 0.00 0.00 52.86 50.39 3kbi s ASN 251 Cb 0.30 -0.67 0.28 0.00 -0.55 0.00 0.00 41.25 40.61 3kbi s ASN 251 CO 0.08 -0.19 1.86 0.25 -2.79 0.00 0.00 177.10 176.31 3kbi h LEU 252 N 5.95 0.85 -0.18 3.21 5.85 -1.87 -2.25 115.31 126.87 3kbi h LEU 252 Ca 0.19 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3kbi h LEU 252 Cb 0.90 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3kbi h LEU 252 CO 0.41 0.57 -0.31 0.50 -0.34 0.00 0.00 178.44 179.27 3kbi h LYS 253 N 0.99 -0.35 -0.56 1.25 3.64 -1.95 0.24 116.57 119.84 3kbi h LYS 253 Ca 0.35 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 3kbi h LYS 253 Cb 0.08 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3kbi h LYS 253 CO -0.14 -0.23 -0.02 0.28 -2.27 0.00 0.00 179.45 177.06 3kbi h VAL 254 N -0.36 1.26 -0.49 2.00 2.07 -1.91 -1.14 116.25 117.68 3kbi h VAL 254 Ca 0.11 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3kbi h VAL 254 Cb 0.54 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3kbi h VAL 254 CO -0.38 0.41 0.25 0.00 0.02 0.00 0.00 177.57 177.87 3kbi h ALA 255 N 1.06 0.64 -0.02 1.67 0.00 -0.83 -1.52 119.26 120.25 3kbi h ALA 255 Ca 0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3kbi h ALA 255 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3kbi h ALA 255 CO 0.03 0.18 -0.67 0.00 0.00 0.00 0.00 179.25 178.79 3kbi h GLU 257 N 0.07 0.43 -0.03 0.00 5.08 -0.92 -1.64 114.58 117.57 3kbi h GLU 257 Ca -0.01 -0.26 -0.25 0.00 -1.00 0.00 0.00 59.36 57.84 3kbi h GLU 257 Cb 1.18 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.47 3kbi h GLU 257 CO 0.09 0.85 -0.97 0.87 -1.00 0.00 0.00 179.01 178.85 3kbi h LYS 258 N 0.34 0.65 0.23 2.33 1.57 -1.24 -1.77 116.57 118.68 3kbi h LYS 258 Ca 0.01 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.12 3kbi h LYS 258 Cb 1.03 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3kbi h LYS 258 CO 0.09 1.26 -0.11 1.15 -0.57 0.00 0.00 179.45 181.26 3kbi h THR 259 N 0.38 0.78 -0.63 -0.16 2.02 -1.32 -0.63 112.91 113.36 3kbi h THR 259 Ca -0.10 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3kbi h THR 259 Cb 1.61 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 3kbi h THR 259 CO 0.19 0.02 0.24 0.58 0.37 0.00 0.00 175.52 176.91 3kbi h VAL 260 N -0.35 1.24 -0.72 3.16 2.07 -1.37 -2.05 116.25 118.24 3kbi h VAL 260 Ca -0.03 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3kbi h VAL 260 Cb 0.27 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3kbi h VAL 260 CO 0.05 0.29 0.26 0.28 0.02 0.00 0.00 177.57 178.47 3kbi h SER 261 N 0.88 1.00 -0.09 0.57 0.02 -1.23 -0.14 113.55 114.57 3kbi h SER 261 Ca 0.21 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kbi h SER 261 Cb 0.22 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3kbi h SER 261 CO -0.01 0.91 0.05 0.74 -1.14 0.00 0.00 176.83 177.37 3kbi h THR 262 N 1.05 1.00 -0.59 -2.27 2.02 -0.79 -1.18 112.91 112.16 3kbi h THR 262 Ca 0.24 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.45 3kbi h THR 262 Cb 0.25 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3kbi h THR 262 CO -0.01 0.02 0.26 -0.07 0.37 0.00 0.00 175.52 176.09 3kbi h LEU 263 N 0.10 0.33 -0.29 2.58 -0.00 -1.00 -1.87 115.31 115.17 3kbi h LEU 263 Ca 0.03 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.03 3kbi h LEU 263 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 3kbi h LEU 263 CO -0.02 0.21 -0.07 -0.74 -0.00 0.00 0.00 178.44 177.82 3kbi h HIS 264 N 0.49 -0.15 -0.58 1.13 2.76 -0.32 0.13 115.15 118.59 3kbi h HIS 264 Ca 0.28 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.45 3kbi h HIS 264 Cb 0.27 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3kbi h HIS 264 CO -0.13 -0.12 0.27 0.45 -1.30 0.00 0.00 177.93 177.09 3kbi h HIS 265 N -0.00 0.85 -0.20 5.26 3.86 -0.77 0.20 115.15 124.35 3kbi h HIS 265 Ca 0.14 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3kbi h HIS 265 Cb 0.21 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3kbi h HIS 265 CO -0.28 0.66 0.07 0.28 0.86 0.00 0.00 177.93 179.52 3kbi h VAL 266 N 0.80 1.18 -0.49 2.45 2.07 -0.99 -1.61 116.25 119.66 3kbi h VAL 266 Ca 0.20 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3kbi h VAL 266 Cb 0.14 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3kbi h VAL 266 CO -0.02 0.18 -0.11 -0.07 0.02 0.00 0.00 177.57 177.57 3kbi h LEU 267 N 0.16 0.90 -0.38 2.57 3.38 -0.55 0.10 115.31 121.50 3kbi h LEU 267 Ca 0.07 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3kbi h LEU 267 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kbi h LEU 267 CO -0.00 1.02 0.01 -0.61 0.09 0.00 0.00 178.44 178.95 3kbi h GLN 268 N 0.81 0.66 -0.66 1.13 4.15 -0.55 0.11 115.11 120.76 3kbi h GLN 268 Ca 0.13 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3kbi h GLN 268 Cb 0.64 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3kbi h GLN 268 CO 0.04 0.75 0.10 -0.09 -1.93 0.00 0.00 178.83 177.70 3kbi h ARG 269 N 0.48 1.10 -0.64 1.69 2.43 -1.17 -1.78 114.38 116.49 3kbi h ARG 269 Ca 0.11 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 3kbi h ARG 269 Cb 0.45 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3kbi h ARG 269 CO 0.02 1.01 0.19 1.15 -1.51 0.00 0.00 179.97 180.83 3kbi h THR 270 N 1.02 1.25 -0.41 0.20 2.02 -0.74 -2.16 112.91 114.08 3kbi h THR 270 Ca 0.20 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3kbi h THR 270 Cb 0.45 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3kbi h THR 270 CO 0.01 0.33 0.14 0.40 0.37 0.00 0.00 175.52 176.78 3kbi h ILE 271 N 0.92 1.21 0.94 3.11 2.04 -0.54 -0.00 117.51 125.19 3kbi h ILE 271 Ca 0.20 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3kbi h ILE 271 Cb 0.30 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3kbi h ILE 271 CO -0.01 0.24 -0.45 1.56 0.00 0.00 0.00 178.15 179.49 3kbi h GLN 272 N 0.52 -1.22 -0.93 2.37 1.08 -1.20 -1.48 115.11 114.26 3kbi h GLN 272 Ca 0.13 0.08 0.13 0.00 -1.45 0.00 0.00 58.65 57.55 3kbi h GLN 272 Cb 0.23 0.28 -0.09 0.00 -0.05 0.00 0.00 27.48 27.85 3kbi h GLN 272 CO -0.01 -0.81 0.55 0.00 -0.95 0.00 0.00 178.83 177.61 3kbi h ALA 274 N 1.54 0.23 -0.19 0.00 0.00 -0.83 -1.50 119.26 118.51 3kbi h ALA 274 Ca 0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3kbi h ALA 274 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kbi h ALA 274 CO -0.30 -0.39 0.08 0.87 0.00 0.00 0.00 179.25 179.52 3kbi h LYS 275 N 0.12 0.28 -0.98 0.00 1.57 -0.35 -2.81 116.57 114.41 3kbi h LYS 275 Ca 0.11 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 3kbi h LYS 275 Cb 0.11 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 3kbi h LYS 275 CO -0.15 0.34 0.60 0.00 -0.57 0.00 0.00 179.45 179.67 3kbi h ALA 276 N 0.92 1.49 0.10 3.86 0.00 -1.03 -3.51 119.26 121.09 3kbi h ALA 276 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kbi h ALA 276 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kbi h ALA 276 CO -0.01 0.17 -0.05 1.96 0.00 0.00 0.00 179.25 181.33 3kbi h GLN 277 N 0.93 -0.12 -1.90 0.00 4.20 -1.00 -3.51 115.11 113.71 3kbi h GLN 277 Ca 0.50 0.01 0.32 0.00 0.06 0.00 0.00 58.65 59.53 3kbi h GLN 277 Cb 0.53 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.25 3kbi h GLN 277 CO -0.28 -0.08 0.83 -2.14 -0.67 0.00 0.00 178.83 176.49 3kbi s PRO 284 N -2.19 0.50 0.60 1.46 0.02 -1.26 -4.93 135.00 129.19 3kbi s PRO 284 Ca -0.02 -0.31 -0.07 0.00 0.02 0.00 0.00 61.00 60.63 3kbi s PRO 284 Cb 0.00 0.15 0.00 0.00 0.02 0.00 0.00 34.50 34.68 3kbi s PRO 284 CO 0.06 -0.23 0.92 -1.54 -0.33 0.00 0.00 177.00 175.88 3kbi s SER 285 N -3.42 5.64 0.37 2.53 1.04 -1.26 -4.88 113.70 113.71 3kbi s SER 285 Ca 0.22 0.80 0.12 0.00 0.48 0.00 0.00 55.95 57.57 3kbi s SER 285 Cb 0.01 -1.79 0.92 0.00 0.10 0.00 0.00 66.02 65.26 3kbi s SER 285 CO -0.01 -1.06 1.84 -0.65 0.98 0.00 0.00 173.24 174.34 3kbi h PRO 286 N -0.21 0.57 -0.49 4.02 0.11 -1.94 -1.09 132.00 132.96 3kbi h PRO 286 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kbi h PRO 286 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3kbi h PRO 286 CO 0.61 0.37 0.30 1.98 -0.21 0.00 0.00 178.00 181.06 3kbi h MET 287 N 0.58 0.66 0.00 1.05 1.85 -1.98 -2.42 114.93 114.67 3kbi h MET 287 Ca 0.49 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.48 3kbi h MET 287 Cb 0.97 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.85 3kbi h MET 287 CO -0.23 0.48 -0.19 1.96 -0.40 0.00 0.00 176.91 178.53 3kbi h GLN 288 N 0.65 0.00 -0.39 0.39 4.20 -1.61 -2.90 115.11 115.46 3kbi h GLN 288 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3kbi h GLN 288 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kbi h GLN 288 CO -0.03 0.19 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 3kbi n LEU 289 N -3.28 2.01 -4.74 1.46 4.77 -0.63 -4.25 117.00 112.32 3kbi n LEU 289 Ca 0.01 -1.00 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 3kbi n LEU 289 Cb 0.45 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3kbi n LEU 289 CO 0.33 0.48 1.08 -1.61 -1.33 0.00 0.00 177.39 176.33 3kbi s GLU 290 N -1.54 4.30 0.15 3.23 0.41 -1.09 -4.72 118.70 119.43 3kbi s GLU 290 Ca 0.24 2.24 -0.34 0.00 -0.41 0.00 0.00 54.97 56.70 3kbi s GLU 290 Cb 0.13 -3.13 -0.14 0.00 -1.78 0.00 0.00 34.13 29.21 3kbi s GLU 290 CO 0.16 -0.38 1.56 1.28 -0.49 0.00 0.00 175.26 177.39 3kbi n LEU 291 N 2.39 2.95 -3.91 1.80 4.77 -1.26 -4.85 117.00 118.89 3kbi n LEU 291 Ca 0.07 1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 3kbi n LEU 291 Cb 0.41 -1.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3kbi n LEU 291 CO 0.60 -0.36 2.53 0.54 -1.33 0.00 0.00 177.39 179.36 3kbi n ARG 292 N 3.40 2.90 0.17 3.23 5.12 -1.26 -4.76 116.66 125.46 3kbi n ARG 292 Ca 0.17 -2.73 -0.12 0.00 -1.93 0.00 0.00 57.85 53.24 3kbi n ARG 292 Cb 0.28 -3.33 -0.07 0.00 -1.16 0.00 0.00 32.46 28.18 3kbi n ARG 292 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 3kbi h MET 293 N 6.37 -0.47 -0.25 5.56 4.05 -1.93 -3.00 114.93 125.26 3kbi h MET 293 Ca 0.54 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.96 3kbi h MET 293 Cb 0.69 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 3kbi h MET 293 CO 1.80 -0.15 0.01 -0.39 0.23 0.00 0.00 176.91 178.41 3kbi h VAL 294 N -0.94 1.15 0.00 -5.77 -1.51 -2.00 -0.70 116.25 106.48 3kbi h VAL 294 Ca -0.05 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3kbi h VAL 294 Cb 0.53 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 3kbi h VAL 294 CO 0.08 0.20 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 3kbi n GLN 295 N -4.35 0.08 -0.64 5.19 3.00 -1.25 -2.87 117.38 116.55 3kbi n GLN 295 Ca 0.01 0.22 0.09 0.00 -0.01 0.00 0.00 57.00 57.31 3kbi n GLN 295 Cb 0.20 -1.63 0.37 0.00 0.00 0.00 0.00 30.24 29.18 3kbi n GLN 295 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kbi n SER 296 N -1.77 4.87 -0.22 1.08 7.64 -0.27 -4.65 113.62 120.31 3kbi n SER 296 Ca 0.04 -2.48 -0.03 0.00 1.01 0.00 0.00 58.87 57.41 3kbi n SER 296 Cb 0.26 -0.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.90 3kbi n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3kbi h LYS 297 N 4.13 -0.10 -0.73 1.43 3.64 -1.56 -1.22 116.57 122.17 3kbi h LYS 297 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kbi h LYS 297 Cb 1.50 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.31 3kbi h LYS 297 CO 0.25 -0.06 0.43 0.00 -2.27 0.00 0.00 179.45 177.80 3kbi h ARG 298 N -0.10 1.00 -0.22 1.90 2.47 -1.89 -1.92 114.38 115.62 3kbi h ARG 298 Ca 0.27 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.82 3kbi h ARG 298 Cb 0.53 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3kbi h ARG 298 CO -0.69 0.72 -0.17 -0.44 0.56 0.00 0.00 179.97 179.94 3kbi h ASP 299 N 1.00 0.37 -0.40 7.04 3.32 -1.60 -2.20 116.42 123.95 3kbi h ASP 299 Ca 0.26 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3kbi h ASP 299 Cb -0.01 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kbi h ASP 299 CO -0.05 0.57 -0.25 0.40 -1.72 0.00 0.00 179.24 178.18 3kbi h ILE 300 N 0.35 1.28 -0.28 0.35 2.04 -0.84 -1.66 117.51 118.75 3kbi h ILE 300 Ca 0.06 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3kbi h ILE 300 Cb 0.51 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3kbi h ILE 300 CO 0.03 0.47 0.06 -0.33 0.00 0.00 0.00 178.15 178.39 3kbi h GLU 301 N 0.68 0.45 -2.01 2.37 5.08 -1.06 -3.40 114.58 116.70 3kbi h GLU 301 Ca 0.08 -0.11 -0.44 0.00 -1.00 0.00 0.00 59.36 57.89 3kbi h GLU 301 Cb 0.83 -0.06 -0.32 0.00 0.50 0.00 0.00 28.75 29.70 3kbi h GLU 301 CO 0.07 0.54 -0.79 0.34 -1.00 0.00 0.00 179.01 178.17 3kbi s ASP 302 N -5.84 0.94 0.08 1.42 2.15 -0.85 -5.07 116.67 109.48 3kbi s ASP 302 Ca -0.13 -2.31 -0.31 0.00 0.43 0.00 0.00 52.55 50.22 3kbi s ASP 302 Cb 0.08 0.30 -0.06 0.00 -0.30 0.00 0.00 42.92 42.94 3kbi s ASP 302 CO 0.74 -0.19 1.23 -2.16 -0.17 0.00 0.00 175.17 174.63 3kbi s PRO 303 N 0.69 4.41 0.01 4.34 0.04 -0.63 -4.67 135.00 139.19 3kbi s PRO 303 Ca 0.26 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 3kbi s PRO 303 Cb -0.05 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 3kbi s PRO 303 CO -0.10 -0.28 1.36 -2.00 0.04 0.00 0.00 177.00 176.01 3kbi s GLU 304 N 1.01 4.31 -0.21 4.56 2.12 -1.26 -4.94 118.70 124.28 3kbi s GLU 304 Ca 0.60 1.92 -0.29 0.00 0.36 0.00 0.00 54.97 57.55 3kbi s GLU 304 Cb -0.31 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3kbi s GLU 304 CO 0.30 -0.52 1.53 0.42 -0.54 0.00 0.00 175.26 176.44 3kbi s ILE 305 N 2.16 3.82 -0.94 -3.70 -1.09 -1.26 -4.82 121.20 115.37 3kbi s ILE 305 Ca 0.62 0.94 0.09 0.00 -2.23 0.00 0.00 60.65 60.08 3kbi s ILE 305 Cb -0.31 -3.79 0.19 0.00 -1.58 0.00 0.00 42.46 36.97 3kbi s ILE 305 CO 0.26 -0.28 1.05 1.33 -1.23 0.00 0.00 174.94 176.07 3kbi n VAL 306 N 6.16 0.60 -3.80 2.92 0.24 -1.26 -4.99 118.33 118.21 3kbi n VAL 306 Ca 0.17 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 3kbi n VAL 306 Cb 0.45 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 33.50 3kbi n VAL 306 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kbi s VAL 307 N -0.91 0.05 -0.06 3.34 0.11 -1.26 -5.09 120.40 116.58 3kbi s VAL 307 Ca 0.16 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 58.83 3kbi s VAL 307 Cb 0.09 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3kbi s VAL 307 CO 0.13 -0.24 -0.21 -1.58 -3.33 0.00 0.00 175.10 169.87 3kbi s GLN 308 N -1.01 2.23 0.38 1.54 0.74 -1.26 -4.89 119.66 117.39 3kbi s GLN 308 Ca -0.11 -0.76 -0.22 0.00 0.05 0.00 0.00 55.36 54.32 3kbi s GLN 308 Cb -0.05 -1.88 -0.10 0.00 1.10 0.00 0.00 33.01 32.07 3kbi s GLN 308 CO 0.03 0.29 0.93 0.00 -0.55 0.00 0.00 175.29 175.98 3kbi s ALA 309 N -0.00 3.13 -0.02 1.58 0.00 -1.26 -4.83 121.76 120.36 3kbi s ALA 309 Ca -0.05 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 3kbi s ALA 309 Cb -0.13 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3kbi s ALA 309 CO 0.03 0.17 0.25 0.95 0.00 0.00 0.00 175.76 177.17 3kbi s THR 310 N -1.93 5.32 0.08 0.00 -4.23 0.13 -4.89 115.64 110.12 3kbi s THR 310 Ca 0.56 0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 61.03 3kbi s THR 310 Cb -0.13 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 3kbi s THR 310 CO 0.18 0.44 0.89 -0.69 -0.54 0.00 0.00 174.62 174.89 3kbi s VAL 311 N -1.22 4.61 -0.07 2.29 1.01 -1.26 -1.24 120.40 124.51 3kbi s VAL 311 Ca 0.25 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.14 3kbi s VAL 311 Cb -0.13 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3kbi s VAL 311 CO 0.13 0.32 0.52 0.18 0.00 0.00 0.00 175.10 176.26