#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kke s ILE 64 N 0.00 2.77 -0.09 12.58 -4.36 0.20 -0.19 121.20 132.12 3kke s ILE 64 Ca 0.00 -1.82 -0.17 0.00 -0.26 0.00 0.00 60.65 58.40 3kke s ILE 64 Cb 0.00 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 3kke s ILE 64 CO 0.00 -0.10 0.44 -0.83 0.24 0.00 0.00 174.94 174.69 3kke s GLY 65 N -2.70 2.40 -0.32 6.27 0.00 0.26 0.14 107.32 113.39 3kke s GLY 65 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.69 3kke s GLY 65 CO 0.12 0.56 0.04 -2.27 0.00 0.00 0.00 173.10 171.55 3kke s LEU 66 N 0.10 4.07 -0.25 0.66 2.96 0.19 -0.38 118.68 126.03 3kke s LEU 66 Ca 0.24 -1.22 -0.08 0.00 -0.22 0.00 0.00 54.13 52.85 3kke s LEU 66 Cb -0.15 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3kke s LEU 66 CO 0.11 -0.29 0.08 -0.63 -1.32 0.00 0.00 176.35 174.30 3kke s ILE 67 N 1.31 4.41 0.11 6.68 -1.09 0.66 -1.23 121.20 132.05 3kke s ILE 67 Ca -0.04 -0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 3kke s ILE 67 Cb -0.20 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 3kke s ILE 67 CO 0.00 0.34 -0.06 0.68 -1.23 0.00 0.00 174.94 174.67 3kke s VAL 68 N 1.55 0.76 0.11 2.92 -7.23 -0.69 -1.59 120.40 116.24 3kke s VAL 68 Ca 0.06 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3kke s VAL 68 Cb -0.15 -1.76 -0.22 0.00 0.56 0.00 0.00 36.38 34.81 3kke s VAL 68 CO 0.04 -0.81 1.26 1.55 -0.31 0.00 0.00 175.10 176.83 3kke h PRO 69 N 2.91 0.05 -1.14 4.82 0.13 -1.88 -3.40 132.00 133.49 3kke h PRO 69 Ca -0.36 -0.09 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 3kke h PRO 69 Cb 1.17 0.03 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3kke h PRO 69 CO 0.64 1.04 -0.08 0.16 -0.23 0.00 0.00 178.00 179.53 3kke s ASP 70 N -6.80 -1.04 0.15 1.44 1.47 -1.26 -5.02 116.67 105.62 3kke s ASP 70 Ca -0.00 0.94 0.10 0.00 1.18 0.00 0.00 52.55 54.77 3kke s ASP 70 Cb 0.09 1.99 0.52 0.00 -0.34 0.00 0.00 42.92 45.18 3kke s ASP 70 CO 0.83 -0.20 1.27 1.33 0.68 0.00 0.00 175.17 179.08 3kke n VAL 71 N 5.37 1.42 0.79 2.11 0.24 -1.26 -0.88 118.33 126.12 3kke n VAL 71 Ca -0.06 0.62 0.13 0.00 -2.04 0.00 0.00 64.34 62.99 3kke n VAL 71 Cb 0.51 -1.62 0.50 0.00 -1.47 0.00 0.00 33.84 31.77 3kke n VAL 71 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kke n ASN 72 N -1.82 0.41 -4.54 -1.34 3.02 -1.26 -4.81 115.26 104.91 3kke n ASN 72 Ca -0.01 0.54 -0.44 0.00 -0.03 0.00 0.00 54.58 54.64 3kke n ASN 72 Cb 0.06 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 3kke n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kke n ASN 73 N -1.89 0.56 -0.20 6.41 5.03 -0.06 -4.87 115.26 120.24 3kke n ASN 73 Ca 0.06 1.12 0.15 0.00 0.87 0.00 0.00 54.58 56.78 3kke n ASN 73 Cb 0.37 -1.21 0.47 0.00 -1.02 0.00 0.00 39.78 38.40 3kke n ASN 73 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kke h ALA 74 N 1.62 2.06 0.00 5.41 0.00 -1.91 -2.64 119.26 123.80 3kke h ALA 74 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kke h ALA 74 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kke h ALA 74 CO 0.58 -0.28 -1.05 1.33 0.00 0.00 0.00 179.25 179.83 3kke n VAL 75 N -4.50 0.35 -0.11 0.00 0.24 -1.26 -4.51 118.33 108.54 3kke n VAL 75 Ca 0.16 -0.39 -0.05 0.00 -2.04 0.00 0.00 64.34 62.02 3kke n VAL 75 Cb 0.54 -0.07 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 3kke n VAL 75 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3kke h PHE 76 N 0.00 -0.27 0.25 6.34 3.57 -1.79 -2.13 116.94 122.90 3kke h PHE 76 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kke h PHE 76 Cb 0.86 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3kke h PHE 76 CO 0.00 -0.19 -0.25 0.00 -2.23 0.00 0.00 178.31 175.63 3kke h ALA 77 N 1.32 -0.52 -0.29 2.41 0.00 -1.79 0.68 119.26 121.07 3kke h ALA 77 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3kke h ALA 77 Cb 0.32 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kke h ALA 77 CO -0.41 -0.82 -0.09 -0.44 0.00 0.00 0.00 179.25 177.49 3kke h ASP 78 N -0.54 0.58 -0.31 0.00 3.32 -1.83 -1.76 116.42 115.88 3kke h ASP 78 Ca -0.00 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3kke h ASP 78 Cb 0.50 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 3kke h ASP 78 CO -0.06 0.82 -0.17 -0.03 -1.72 0.00 0.00 179.24 178.08 3kke h MET 79 N 0.33 -0.13 -0.61 3.56 1.85 -1.34 -1.99 114.93 116.61 3kke h MET 79 Ca 0.07 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 3kke h MET 79 Cb 0.58 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.61 3kke h MET 79 CO 0.03 -0.08 0.34 0.35 -0.40 0.00 0.00 176.91 177.14 3kke h PHE 80 N -0.13 0.83 -0.74 1.39 3.57 -0.53 0.13 116.94 121.46 3kke h PHE 80 Ca 0.16 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.77 3kke h PHE 80 Cb 0.38 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3kke h PHE 80 CO -0.37 0.59 0.49 0.66 -2.23 0.00 0.00 178.31 177.45 3kke h SER 81 N 0.82 0.45 0.77 0.41 4.64 -0.94 0.98 113.55 120.68 3kke h SER 81 Ca 0.21 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3kke h SER 81 Cb 0.04 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3kke h SER 81 CO -0.04 0.25 -0.37 1.23 -0.87 0.00 0.00 176.83 177.03 3kke h GLY 82 N 0.49 -1.08 0.13 -0.77 0.00 -0.07 -1.68 103.07 100.08 3kke h GLY 82 Ca 0.36 0.40 0.20 0.00 0.00 0.00 0.00 47.33 48.29 3kke h GLY 82 CO -0.12 -0.39 0.62 -2.08 0.00 0.00 0.00 176.54 174.56 3kke h VAL 83 N -1.25 0.67 -0.35 4.60 2.07 -0.72 -1.16 116.25 120.12 3kke h VAL 83 Ca -0.11 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3kke h VAL 83 Cb 0.79 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kke h VAL 83 CO 0.17 0.12 -0.21 -0.61 0.02 0.00 0.00 177.57 177.07 3kke h GLN 84 N 0.64 0.75 -0.04 1.57 4.15 -0.78 -1.28 115.11 120.13 3kke h GLN 84 Ca 0.56 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.67 3kke h GLN 84 Cb 1.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 3kke h GLN 84 CO -0.33 0.96 -0.18 0.52 -1.93 0.00 0.00 178.83 177.87 3kke h MET 85 N 0.53 -0.26 0.39 1.69 2.86 -0.27 0.23 114.93 120.10 3kke h MET 85 Ca 0.07 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kke h MET 85 Cb 0.76 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3kke h MET 85 CO 0.06 -0.17 -0.31 0.00 1.06 0.00 0.00 176.91 177.55 3kke h ALA 86 N 0.68 -0.70 -0.67 6.32 0.00 -1.23 -3.01 119.26 120.66 3kke h ALA 86 Ca 0.07 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kke h ALA 86 Cb 0.36 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3kke h ALA 86 CO -0.19 -0.92 0.42 0.00 0.00 0.00 0.00 179.25 178.56 3kke h ALA 87 N -0.18 0.87 -0.48 0.00 0.00 -1.10 -2.97 119.26 115.40 3kke h ALA 87 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3kke h ALA 87 Cb 0.60 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3kke h ALA 87 CO -0.01 0.19 0.14 0.77 0.00 0.00 0.00 179.25 180.34 3kke h SER 88 N 0.83 0.11 0.91 0.00 0.02 -0.42 -0.76 113.55 114.24 3kke h SER 88 Ca 0.27 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3kke h SER 88 Cb 0.01 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3kke h SER 88 CO -0.10 0.09 -0.06 1.23 -1.14 0.00 0.00 176.83 176.85 3kke h GLY 89 N 0.30 0.00 -3.23 -3.77 0.00 -1.41 -3.05 103.07 91.91 3kke h GLY 89 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.16 3kke h GLY 89 CO -0.26 0.00 0.32 1.42 0.00 0.00 0.00 176.54 178.02 3kke n HIS 90 N -3.20 2.30 -3.54 5.60 8.25 -0.60 -4.95 115.22 119.08 3kke n HIS 90 Ca 0.00 -1.90 -0.24 0.00 -0.26 0.00 0.00 57.72 55.32 3kke n HIS 90 Cb 0.32 -0.80 -0.03 0.00 1.12 0.00 0.00 29.99 30.60 3kke n HIS 90 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kke n SER 91 N -1.10 -2.40 -4.35 0.41 7.64 -1.00 -4.92 113.62 107.91 3kke n SER 91 Ca 0.49 -0.45 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 3kke n SER 91 Cb 1.29 -2.06 -0.15 0.00 -1.01 0.00 0.00 64.21 62.28 3kke n SER 91 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kke s THR 92 N -2.80 2.23 0.18 0.44 2.01 -0.39 -4.93 115.64 112.38 3kke s THR 92 Ca 0.45 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3kke s THR 92 Cb -0.25 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 3kke s THR 92 CO 0.55 0.47 0.34 -1.81 -0.69 0.00 0.00 174.62 173.47 3kke s ASP 93 N -0.97 6.35 -0.14 3.53 -0.00 -1.26 -4.08 116.67 120.10 3kke s ASP 93 Ca 0.11 0.25 -0.00 0.00 -0.00 0.00 0.00 52.55 52.91 3kke s ASP 93 Cb -0.10 -1.94 -0.01 0.00 -0.00 0.00 0.00 42.92 40.86 3kke s ASP 93 CO 0.01 -0.00 -0.12 -0.69 -0.00 0.00 0.00 175.17 174.36 3kke s VAL 94 N -1.82 3.03 -0.19 -1.27 1.01 -1.26 -0.63 120.40 119.27 3kke s VAL 94 Ca 0.36 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3kke s VAL 94 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3kke s VAL 94 CO 0.29 0.51 -0.00 -0.22 0.00 0.00 0.00 175.10 175.68 3kke s LEU 95 N 0.54 3.30 -0.22 3.92 0.20 0.12 -4.96 118.68 121.58 3kke s LEU 95 Ca -0.08 -0.16 -0.11 0.00 0.69 0.00 0.00 54.13 54.47 3kke s LEU 95 Cb -0.16 -1.83 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 3kke s LEU 95 CO 0.04 0.10 0.16 -0.22 -0.29 0.00 0.00 176.35 176.14 3kke s LEU 96 N 0.81 4.17 0.22 -0.68 2.96 -1.26 0.54 118.68 125.42 3kke s LEU 96 Ca 0.00 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3kke s LEU 96 Cb -0.14 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3kke s LEU 96 CO 0.02 0.11 0.23 -0.83 -1.32 0.00 0.00 176.35 174.56 3kke s GLY 97 N 0.72 1.21 0.07 7.98 0.00 -0.37 -4.95 107.32 111.98 3kke s GLY 97 Ca 0.09 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.33 3kke s GLY 97 CO 0.02 -1.19 -0.05 1.20 0.00 0.00 0.00 173.10 173.07 3kke s GLN 98 N -4.10 0.69 0.07 2.90 -0.21 -1.26 -1.70 119.66 116.05 3kke s GLN 98 Ca 0.34 -1.17 0.04 0.00 0.02 0.00 0.00 55.36 54.60 3kke s GLN 98 Cb 0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 33.01 33.96 3kke s GLN 98 CO 0.12 -0.04 -0.13 0.96 -2.12 0.00 0.00 175.29 174.08 3kke s ILE 99 N -3.25 0.99 0.79 1.08 -4.36 -1.26 -5.01 121.20 110.18 3kke s ILE 99 Ca 0.05 -1.30 -0.05 0.00 -0.26 0.00 0.00 60.65 59.09 3kke s ILE 99 Cb 0.03 -1.02 0.15 0.00 1.25 0.00 0.00 42.46 42.87 3kke s ILE 99 CO -0.05 -0.29 1.09 -1.81 0.24 0.00 0.00 174.94 174.12 3kke s ASP 100 N -1.79 3.99 0.50 4.36 1.01 -1.26 -4.97 116.67 118.50 3kke s ASP 100 Ca -0.03 -0.19 -0.23 0.00 0.71 0.00 0.00 52.55 52.82 3kke s ASP 100 Cb -0.09 -0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 3kke s ASP 100 CO 0.02 -2.12 1.27 0.00 0.21 0.00 0.00 175.17 174.55 3kke s ALA 101 N -3.36 2.93 0.61 5.23 0.00 -1.26 -3.17 121.76 122.73 3kke s ALA 101 Ca 0.69 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.61 3kke s ALA 101 Cb -0.05 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3kke s ALA 101 CO 0.47 -1.02 1.20 -0.35 0.00 0.00 0.00 175.76 176.06 3kke n PRO 102 N -0.69 1.18 0.19 0.00 -0.04 -1.26 -2.62 135.00 131.76 3kke n PRO 102 Ca 0.08 0.45 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3kke n PRO 102 Cb 0.46 -2.42 0.13 0.00 -0.04 0.00 0.00 33.50 31.63 3kke n PRO 102 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3kke h PRO 103 N 0.73 0.00 -0.70 0.54 0.13 -2.00 -3.46 132.00 127.24 3kke h PRO 103 Ca -0.50 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.73 3kke h PRO 103 Cb 1.34 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.35 3kke h PRO 103 CO 0.53 0.08 -0.44 -0.09 -0.23 0.00 0.00 178.00 177.85 3kke h ARG 104 N 0.00 -0.15 -0.51 0.86 9.65 -1.81 0.19 114.38 122.61 3kke h ARG 104 Ca -0.00 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3kke h ARG 104 Cb 1.07 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.65 3kke h ARG 104 CO 0.01 -0.10 0.34 0.78 2.80 0.00 0.00 179.97 183.80 3kke h GLY 105 N -0.16 0.54 0.83 2.80 0.00 -1.47 -0.56 103.07 105.05 3kke h GLY 105 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3kke h GLY 105 CO -0.77 0.13 0.03 -0.84 0.00 0.00 0.00 176.54 175.09 3kke h THR 106 N 0.43 1.19 -0.82 4.70 2.02 -0.96 -1.97 112.91 117.50 3kke h THR 106 Ca 0.22 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3kke h THR 106 Cb 0.33 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3kke h THR 106 CO -0.06 0.18 0.52 1.56 0.37 0.00 0.00 175.52 178.09 3kke h GLN 107 N 0.02 0.95 0.80 6.66 4.20 -0.40 -2.75 115.11 124.59 3kke h GLN 107 Ca 0.04 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3kke h GLN 107 Cb 0.25 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kke h GLN 107 CO -0.00 0.63 -0.39 1.96 -0.67 0.00 0.00 178.83 180.36 3kke h GLN 108 N 0.98 -1.04 -0.68 1.46 4.20 -0.95 -2.01 115.11 117.08 3kke h GLN 108 Ca 0.34 0.07 0.03 0.00 0.06 0.00 0.00 58.65 59.15 3kke h GLN 108 Cb 0.07 0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3kke h GLN 108 CO -0.14 -0.69 0.43 -0.07 -0.67 0.00 0.00 178.83 177.70 3kke h LEU 109 N -1.09 0.72 -0.23 1.46 3.38 -1.34 -1.83 115.31 116.37 3kke h LEU 109 Ca -0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3kke h LEU 109 Cb 0.83 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kke h LEU 109 CO 0.18 0.50 -0.09 0.77 0.09 0.00 0.00 178.44 179.89 3kke h SER 110 N 0.85 0.48 -0.89 -0.43 4.64 -1.48 -2.59 113.55 114.12 3kke h SER 110 Ca 0.27 -0.40 0.13 0.00 -0.47 0.00 0.00 61.79 61.33 3kke h SER 110 Cb -0.00 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 61.89 3kke h SER 110 CO -0.10 0.77 0.57 0.03 -0.87 0.00 0.00 176.83 177.23 3kke h ARG 111 N 0.19 0.73 -0.47 4.77 -0.00 -1.28 1.46 114.38 119.78 3kke h ARG 111 Ca 0.05 -0.04 0.02 0.00 -0.50 0.00 0.00 59.98 59.51 3kke h ARG 111 Cb 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 29.97 30.35 3kke h ARG 111 CO 0.03 0.48 0.28 1.25 0.00 0.00 0.00 179.97 182.01 3kke h LEU 112 N 0.75 0.45 0.22 3.04 5.85 -0.94 0.02 115.31 124.69 3kke h LEU 112 Ca 0.44 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.85 3kke h LEU 112 Cb 0.63 -0.09 0.03 0.00 0.37 0.00 0.00 40.66 41.60 3kke h LEU 112 CO -0.20 0.32 -1.46 0.58 -0.34 0.00 0.00 178.44 177.33 3kke h VAL 113 N 0.56 1.21 -0.60 1.05 2.07 -1.17 0.22 116.25 119.59 3kke h VAL 113 Ca 0.19 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 3kke h VAL 113 Cb 0.02 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3kke h VAL 113 CO -0.09 0.80 0.35 0.77 0.02 0.00 0.00 177.57 179.43 3kke h SER 114 N 0.05 0.72 -0.30 0.57 4.64 0.22 -0.63 113.55 118.82 3kke h SER 114 Ca -0.27 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3kke h SER 114 Cb 2.07 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3kke h SER 114 CO 0.23 0.56 0.00 -0.62 -0.87 0.00 0.00 176.83 176.13 3kke n GLU 115 N -4.41 1.83 -1.79 4.77 1.02 -0.02 -4.95 120.64 117.10 3kke n GLU 115 Ca 0.06 -1.27 -0.11 0.00 -0.02 0.00 0.00 57.16 55.81 3kke n GLU 115 Cb 0.08 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3kke n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kke n GLY 116 N 1.12 0.52 0.13 0.62 0.00 -0.24 -4.93 105.19 102.41 3kke n GLY 116 Ca 0.14 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 3kke n GLY 116 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kke h ARG 117 N 0.00 0.38 -5.21 1.61 3.08 -0.79 -3.46 114.38 109.98 3kke h ARG 117 Ca -0.24 -0.53 -0.38 0.00 0.07 0.00 0.00 59.98 58.90 3kke h ARG 117 Cb 0.96 0.18 -0.20 0.00 0.08 0.00 0.00 29.97 30.99 3kke h ARG 117 CO 0.31 1.21 -0.76 0.14 -1.07 0.00 0.00 179.97 179.80 3kke s VAL 118 N -2.90 1.06 -0.40 2.04 -7.23 -0.90 -4.85 120.40 107.23 3kke s VAL 118 Ca -0.06 -1.41 0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3kke s VAL 118 Cb 0.07 -1.16 0.07 0.00 0.56 0.00 0.00 36.38 35.93 3kke s VAL 118 CO 0.89 -0.33 1.22 0.44 -0.31 0.00 0.00 175.10 177.01 3kke h ASP 119 N 4.05 0.00 -4.98 4.85 3.32 -0.90 -3.39 116.42 119.37 3kke h ASP 119 Ca -0.40 -0.07 0.22 0.00 0.02 0.00 0.00 57.03 56.81 3kke h ASP 119 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 3kke h ASP 119 CO 0.44 0.03 0.67 -0.83 -1.72 0.00 0.00 179.24 177.84 3kke s GLY 120 N -4.11 -0.35 -0.03 2.75 0.00 -1.26 -4.80 107.32 99.52 3kke s GLY 120 Ca 0.03 0.91 0.06 0.00 0.00 0.00 0.00 44.72 45.72 3kke s GLY 120 CO 0.75 0.26 -0.20 0.14 0.00 0.00 0.00 173.10 174.05 3kke s VAL 121 N -2.77 1.63 -0.17 1.40 1.01 0.21 -0.57 120.40 121.14 3kke s VAL 121 Ca 0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 3kke s VAL 121 Cb 0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3kke s VAL 121 CO -0.04 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 174.72 3kke s LEU 122 N -0.33 3.14 -0.13 3.92 1.43 0.48 -1.34 118.68 125.84 3kke s LEU 122 Ca 0.04 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3kke s LEU 122 Cb -0.09 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3kke s LEU 122 CO 0.00 0.12 -0.13 -0.22 0.23 0.00 0.00 176.35 176.35 3kke s LEU 123 N 0.66 1.61 -0.15 1.79 0.20 -0.95 -0.25 118.68 121.60 3kke s LEU 123 Ca -0.02 -0.44 -0.20 0.00 0.69 0.00 0.00 54.13 54.16 3kke s LEU 123 Cb -0.14 -1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3kke s LEU 123 CO 0.02 -0.04 0.57 -1.58 -0.29 0.00 0.00 176.35 175.03 3kke s GLN 124 N 1.36 4.29 0.27 1.98 0.74 -0.62 -0.92 119.66 126.76 3kke s GLN 124 Ca 0.01 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 55.70 3kke s GLN 124 Cb -0.13 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 30.38 3kke s GLN 124 CO -0.07 -0.03 1.08 -0.98 -0.55 0.00 0.00 175.29 174.73 3kke s ARG 125 N 1.22 4.66 0.44 1.67 1.70 -1.26 -4.36 118.95 123.03 3kke s ARG 125 Ca 0.29 1.76 -0.23 0.00 -0.47 0.00 0.00 55.73 57.08 3kke s ARG 125 Cb -0.16 -3.21 -0.08 0.00 -0.57 0.00 0.00 34.95 30.94 3kke s ARG 125 CO 0.12 0.24 1.11 1.03 -1.08 0.00 0.00 175.30 176.71 3kke s ARG 126 N -1.35 3.89 0.41 3.89 0.52 -1.26 -4.87 118.95 120.18 3kke s ARG 126 Ca 0.44 1.62 0.29 0.00 -0.52 0.00 0.00 55.73 57.57 3kke s ARG 126 Cb -0.31 -2.40 1.23 0.00 0.52 0.00 0.00 34.95 33.98 3kke s ARG 126 CO 0.40 -0.40 1.86 1.05 0.02 0.00 0.00 175.30 178.23 3kke h GLU 127 N 2.12 0.00 -0.67 3.54 4.11 -1.99 -1.21 114.58 120.48 3kke h GLU 127 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3kke h GLU 127 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3kke h GLU 127 CO 0.61 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.29 3kke n ASP 128 N -2.65 4.40 -4.61 3.06 5.75 -1.26 -4.54 116.55 116.70 3kke n ASP 128 Ca 0.01 -2.33 -0.40 0.00 -0.01 0.00 0.00 54.79 52.06 3kke n ASP 128 Cb 0.25 -0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.72 3kke n ASP 128 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3kke s PHE 129 N -1.66 3.24 0.83 2.11 0.40 -0.46 -5.08 117.98 117.36 3kke s PHE 129 Ca 0.49 0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 57.28 3kke s PHE 129 Cb 0.30 -2.83 0.10 0.00 0.51 0.00 0.00 43.02 41.10 3kke s PHE 129 CO 0.26 -0.37 1.19 0.16 0.70 0.00 0.00 175.22 177.16 3kke s ASP 130 N 1.59 4.23 0.49 1.36 1.47 -1.26 -4.70 116.67 119.85 3kke s ASP 130 Ca 0.22 0.62 0.17 0.00 1.18 0.00 0.00 52.55 54.74 3kke s ASP 130 Cb -0.15 -1.02 1.17 0.00 -0.34 0.00 0.00 42.92 42.57 3kke s ASP 130 CO 0.10 -2.05 2.07 0.44 0.68 0.00 0.00 175.17 176.41 3kke h ASP 131 N -1.13 0.00 -0.10 2.11 3.32 -1.98 -2.35 116.42 116.29 3kke h ASP 131 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3kke h ASP 131 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3kke h ASP 131 CO 0.59 0.11 -0.02 0.44 -1.72 0.00 0.00 179.24 178.64 3kke h ASP 132 N 0.00 0.19 -0.61 6.45 5.19 -1.97 -2.88 116.42 122.79 3kke h ASP 132 Ca -0.00 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.09 3kke h ASP 132 Cb 0.20 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 3kke h ASP 132 CO 0.01 0.50 0.36 0.24 -3.12 0.00 0.00 179.24 177.23 3kke h MET 133 N -0.13 0.68 -0.27 3.56 2.07 -1.80 -2.21 114.93 116.82 3kke h MET 133 Ca 0.03 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.57 3kke h MET 133 Cb 0.42 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.98 3kke h MET 133 CO 0.01 0.45 -0.00 1.25 1.07 0.00 0.00 176.91 179.68 3kke h LEU 134 N 0.70 0.48 -0.49 1.22 6.46 -1.57 -2.83 115.31 119.28 3kke h LEU 134 Ca 0.25 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3kke h LEU 134 Cb 0.06 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 39.79 3kke h LEU 134 CO -0.12 0.68 0.03 0.00 -0.62 0.00 0.00 178.44 178.40 3kke h ALA 135 N 0.82 0.49 -0.08 1.25 0.00 -1.29 -1.82 119.26 118.63 3kke h ALA 135 Ca 0.08 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kke h ALA 135 Cb 0.43 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3kke h ALA 135 CO 0.02 -0.37 -0.44 0.00 0.00 0.00 0.00 179.25 178.46 3kke h ALA 136 N 1.42 -0.67 -0.03 0.00 0.00 -1.17 -0.01 119.26 118.80 3kke h ALA 136 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kke h ALA 136 Cb 0.36 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kke h ALA 136 CO -0.39 -0.97 -0.25 -0.39 0.00 0.00 0.00 179.25 177.25 3kke h VAL 137 N -0.54 1.20 0.00 0.00 -1.51 -1.29 -2.97 116.25 111.13 3kke h VAL 137 Ca 0.06 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3kke h VAL 137 Cb 0.65 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3kke h VAL 137 CO -0.37 0.27 -0.52 -0.07 -1.23 0.00 0.00 177.57 175.65 3kke h LEU 138 N 0.05 0.00 -8.88 4.19 3.38 -0.92 -3.45 115.31 109.68 3kke h LEU 138 Ca 0.01 -0.01 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3kke h LEU 138 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kke h LEU 138 CO 0.03 0.00 1.28 -0.62 0.09 0.00 0.00 178.44 179.23 3kke n GLU 139 N -2.85 1.53 -2.26 1.13 -0.58 -0.05 -2.28 120.64 115.27 3kke n GLU 139 Ca 0.02 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3kke n GLU 139 Cb 0.54 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 3kke n GLU 139 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kke n GLY 140 N 5.57 0.89 2.83 0.62 0.00 -1.26 -5.04 105.19 108.80 3kke n GLY 140 Ca 0.33 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 3kke n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kke s VAL 141 N -2.79 -0.12 -0.16 1.61 1.01 -0.97 -5.02 120.40 113.97 3kke s VAL 141 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3kke s VAL 141 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3kke s VAL 141 CO 0.00 0.12 1.76 -2.84 0.00 0.00 0.00 175.10 174.14 3kke s PRO 142 N 1.64 3.81 -0.14 2.72 0.02 -1.26 -4.92 135.00 136.87 3kke s PRO 142 Ca -0.03 1.94 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 3kke s PRO 142 Cb -0.12 -4.10 0.05 0.00 0.02 0.00 0.00 34.50 30.35 3kke s PRO 142 CO -0.05 -1.29 0.51 0.00 -0.33 0.00 0.00 177.00 175.84 3kke s ALA 143 N 5.37 -1.27 -0.14 -1.55 0.00 -1.26 -0.62 121.76 122.29 3kke s ALA 143 Ca 0.79 1.23 -0.00 0.00 0.00 0.00 0.00 51.96 53.98 3kke s ALA 143 Cb -0.30 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3kke s ALA 143 CO 0.32 -0.27 -0.09 0.08 0.00 0.00 0.00 175.76 175.80 3kke s VAL 144 N -0.26 1.21 0.28 0.00 1.01 -0.45 -4.68 120.40 117.51 3kke s VAL 144 Ca -0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3kke s VAL 144 Cb -0.03 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3kke s VAL 144 CO 0.03 0.33 1.08 0.42 0.00 0.00 0.00 175.10 176.95 3kke s THR 145 N 1.62 3.56 -0.06 3.92 -4.23 0.38 -2.23 115.64 118.60 3kke s THR 145 Ca 0.04 1.57 0.04 0.00 -1.18 0.00 0.00 61.69 62.16 3kke s THR 145 Cb -0.13 -4.00 -0.02 0.00 1.34 0.00 0.00 72.50 69.69 3kke s THR 145 CO -0.09 0.37 -0.18 0.27 -0.54 0.00 0.00 174.62 174.46 3kke s ILE 146 N -1.17 2.74 -1.10 2.99 -4.36 -0.10 -1.43 121.20 118.78 3kke s ILE 146 Ca 0.44 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 3kke s ILE 146 Cb -0.31 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.34 3kke s ILE 146 CO 0.40 0.58 0.00 -3.20 0.24 0.00 0.00 174.94 172.95 3kke n ASN 147 N 2.63 -3.78 -3.60 4.36 5.15 -0.89 -4.32 115.26 114.82 3kke n ASN 147 Ca -0.17 0.22 -0.08 0.00 -0.60 0.00 0.00 54.58 53.94 3kke n ASN 147 Cb 0.52 -3.27 -0.05 0.00 -0.53 0.00 0.00 39.78 36.45 3kke n ASN 147 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kke s SER 148 N -2.03 -0.29 -0.05 1.20 0.15 -1.26 -4.64 113.70 106.78 3kke s SER 148 Ca 0.00 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3kke s SER 148 Cb 0.00 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 3kke s SER 148 CO 0.00 -0.26 -0.02 -0.60 1.20 0.00 0.00 173.24 173.56 3kke s ARG 149 N -1.03 0.69 -0.28 5.44 3.00 -1.26 -4.50 118.95 121.00 3kke s ARG 149 Ca 0.01 -0.02 -0.14 0.00 -1.00 0.00 0.00 55.73 54.58 3kke s ARG 149 Cb -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 34.95 34.09 3kke s ARG 149 CO -0.01 -0.15 0.33 0.08 0.00 0.00 0.00 175.30 175.55 3kke s VAL 150 N 1.21 5.20 0.37 7.11 1.01 -1.26 -4.92 120.40 129.12 3kke s VAL 150 Ca -0.07 0.42 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 3kke s VAL 150 Cb -0.14 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 3kke s VAL 150 CO -0.02 0.15 1.43 -2.84 0.00 0.00 0.00 175.10 173.82 3kke s PRO 151 N 2.00 4.16 0.00 2.72 0.02 -1.26 -3.24 135.00 139.40 3kke s PRO 151 Ca 0.13 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3kke s PRO 151 Cb -0.16 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3kke s PRO 151 CO 0.10 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3kke n GLY 152 N 0.57 0.89 3.34 0.52 0.00 -1.26 -5.03 105.19 104.21 3kke n GLY 152 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3kke n GLY 152 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kke s ARG 153 N -0.99 1.11 -0.09 1.61 1.70 -1.20 -5.16 118.95 115.92 3kke s ARG 153 Ca 0.00 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.61 3kke s ARG 153 Cb 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 3kke s ARG 153 CO 0.00 -0.44 -0.03 0.54 -1.08 0.00 0.00 175.30 174.29 3kke s VAL 154 N -3.72 4.01 0.00 4.99 0.11 -1.26 -4.83 120.40 119.71 3kke s VAL 154 Ca 0.02 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 3kke s VAL 154 Cb 0.01 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 3kke s VAL 154 CO -0.12 0.59 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3kke n GLY 155 N 2.38 0.65 3.46 6.54 0.00 -0.90 -4.82 105.19 112.49 3kke n GLY 155 Ca -0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 3kke n GLY 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kke s SER 156 N 0.00 -0.55 -0.14 1.61 1.04 -0.86 -0.47 113.70 114.33 3kke s SER 156 Ca 0.00 0.65 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 3kke s SER 156 Cb 0.00 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.76 3kke s SER 156 CO 0.00 -0.52 0.06 -0.69 0.98 0.00 0.00 173.24 173.07 3kke s VAL 157 N -1.01 0.17 0.33 5.02 1.01 -0.51 -1.19 120.40 124.21 3kke s VAL 157 Ca -0.10 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3kke s VAL 157 Cb -0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3kke s VAL 157 CO 0.07 -0.11 0.02 0.27 0.00 0.00 0.00 175.10 175.35 3kke s ILE 158 N 2.03 2.80 0.65 2.22 -4.36 -0.41 -2.09 121.20 122.06 3kke s ILE 158 Ca 0.02 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3kke s ILE 158 Cb -0.15 -2.80 0.05 0.00 1.25 0.00 0.00 42.46 40.81 3kke s ILE 158 CO -0.07 -0.23 0.94 -0.76 0.24 0.00 0.00 174.94 175.05 3kke s LEU 159 N -3.72 2.97 -1.39 0.37 1.43 -1.26 -0.82 118.68 116.25 3kke s LEU 159 Ca 0.34 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 3kke s LEU 159 Cb -0.02 -3.01 0.07 0.00 0.03 0.00 0.00 46.19 43.26 3kke s LEU 159 CO 0.20 -1.45 2.05 -0.67 0.23 0.00 0.00 176.35 176.71 3kke n ASP 160 N -2.73 4.30 -0.06 2.29 -0.08 -1.23 -4.76 116.55 114.28 3kke n ASP 160 Ca 0.08 -2.90 -0.12 0.00 -1.51 0.00 0.00 54.79 50.34 3kke n ASP 160 Cb 0.60 -1.65 -0.06 0.00 2.34 0.00 0.00 41.12 42.35 3kke n ASP 160 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3kke h ASP 161 N 6.33 0.37 -0.18 1.67 3.45 -1.93 -2.23 116.42 123.89 3kke h ASP 161 Ca 0.51 -0.41 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3kke h ASP 161 Cb 0.69 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3kke h ASP 161 CO 1.74 0.70 0.08 1.56 -1.57 0.00 0.00 179.24 181.75 3kke h GLN 162 N 0.04 0.27 -0.09 3.56 7.50 -1.85 -1.50 115.11 123.03 3kke h GLN 162 Ca 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3kke h GLN 162 Cb 0.56 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 3kke h GLN 162 CO 0.02 0.31 0.06 -0.22 -1.50 0.00 0.00 178.83 177.51 3kke h LYS 163 N 0.16 0.12 -0.01 1.46 3.64 -1.86 -1.29 116.57 118.80 3kke h LYS 163 Ca 0.06 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 3kke h LYS 163 Cb 0.14 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3kke h LYS 163 CO -0.01 0.08 -0.91 0.78 -2.27 0.00 0.00 179.45 177.13 3kke h GLY 164 N 0.13 0.70 1.62 5.01 0.00 -0.75 -2.51 103.07 107.26 3kke h GLY 164 Ca 0.03 -1.21 -0.07 0.00 0.00 0.00 0.00 47.33 46.09 3kke h GLY 164 CO -0.01 1.07 -0.11 -1.33 0.00 0.00 0.00 176.54 176.16 3kke h GLY 165 N 0.26 0.50 1.09 4.60 0.00 -0.90 -2.92 103.07 105.70 3kke h GLY 165 Ca -0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 3kke h GLY 165 CO 0.18 0.31 -0.38 -1.33 0.00 0.00 0.00 176.54 175.32 3kke h GLY 166 N 0.90 0.96 1.55 4.60 0.00 -1.27 -2.82 103.07 106.98 3kke h GLY 166 Ca 0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 3kke h GLY 166 CO 0.03 0.90 -0.05 -2.22 0.00 0.00 0.00 176.54 175.20 3kke h ILE 167 N 0.68 1.22 -0.37 2.60 2.04 -1.34 1.00 117.51 123.34 3kke h ILE 167 Ca 0.05 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 64.88 3kke h ILE 167 Cb 0.97 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3kke h ILE 167 CO 0.09 0.31 -0.28 0.00 0.00 0.00 0.00 178.15 178.27 3kke h ALA 168 N 1.43 0.53 0.09 1.87 0.00 -1.53 -2.41 119.26 119.23 3kke h ALA 168 Ca 0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kke h ALA 168 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kke h ALA 168 CO 0.02 0.55 -0.04 1.15 0.00 0.00 0.00 179.25 180.92 3kke h THR 169 N 0.63 1.15 -0.95 0.00 2.02 -1.15 -2.71 112.91 111.90 3kke h THR 169 Ca 0.07 -0.98 0.14 0.00 0.77 0.00 0.00 66.41 66.40 3kke h THR 169 Cb 0.85 1.78 -0.15 0.00 -1.74 0.00 0.00 68.15 68.89 3kke h THR 169 CO 0.07 0.24 -0.41 -0.62 0.37 0.00 0.00 175.52 175.17 3kke n GLU 170 N -4.93 -0.26 -0.36 6.66 1.02 0.34 -0.59 120.64 122.51 3kke n GLU 170 Ca -0.09 1.46 0.01 0.00 -0.02 0.00 0.00 57.16 58.53 3kke n GLU 170 Cb 0.25 -2.17 0.15 0.00 -0.02 0.00 0.00 31.44 29.65 3kke n GLU 170 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kke h HIS 171 N 0.00 1.18 -0.45 -0.32 6.17 -1.39 -1.45 115.15 118.90 3kke h HIS 171 Ca 0.30 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.32 3kke h HIS 171 Cb 0.53 -0.39 -0.02 0.00 2.52 0.00 0.00 27.41 30.05 3kke h HIS 171 CO -0.87 0.65 -0.06 -0.07 0.71 0.00 0.00 177.93 178.29 3kke h LEU 172 N 1.19 0.75 -0.12 0.26 3.38 -0.52 -2.67 115.31 117.59 3kke h LEU 172 Ca 0.41 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 3kke h LEU 172 Cb 0.08 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kke h LEU 172 CO -0.15 0.85 -0.47 0.40 0.09 0.00 0.00 178.44 179.16 3kke h ILE 173 N 0.71 1.36 -0.83 1.22 2.04 -0.74 -2.04 117.51 119.23 3kke h ILE 173 Ca 0.13 -1.78 0.20 0.00 1.00 0.00 0.00 64.86 64.40 3kke h ILE 173 Cb 0.52 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 3kke h ILE 173 CO 0.03 0.54 0.56 0.74 0.00 0.00 0.00 178.15 180.02 3kke h THR 174 N 0.13 0.68 0.00 -0.27 2.02 -1.25 0.42 112.91 114.64 3kke h THR 174 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kke h THR 174 Cb 1.11 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3kke h THR 174 CO 0.10 0.05 0.00 -0.07 0.37 0.00 0.00 175.52 175.97 3kke h LEU 175 N 0.28 0.00 0.00 2.58 3.38 -1.36 -3.47 115.31 116.71 3kke h LEU 175 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3kke h LEU 175 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kke h LEU 175 CO -0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.03 3kke n GLY 176 N 0.98 1.84 3.83 0.83 0.00 0.15 -4.11 105.19 108.71 3kke n GLY 176 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3kke n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kke s HIS 177 N -2.00 3.56 0.00 1.61 3.76 -0.79 -4.68 115.29 116.76 3kke s HIS 177 Ca 0.00 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 3kke s HIS 177 Cb 0.00 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 31.18 3kke s HIS 177 CO 0.00 0.30 0.00 0.43 -0.85 0.00 0.00 174.74 174.62 3kke n SER 178 N 0.45 2.30 -4.26 1.40 7.64 -1.26 -4.37 113.62 115.52 3kke n SER 178 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.46 3kke n SER 178 Cb 0.52 0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 3kke n SER 178 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3kke s ARG 179 N -1.22 2.59 -0.14 1.43 3.00 -1.26 -4.41 118.95 118.93 3kke s ARG 179 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 55.73 54.28 3kke s ARG 179 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 34.95 31.20 3kke s ARG 179 CO 0.00 -0.95 -0.19 0.42 0.00 0.00 0.00 175.30 174.58 3kke s ILE 180 N 1.41 1.89 0.77 1.52 1.01 -1.26 -1.07 121.20 125.47 3kke s ILE 180 Ca 0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 3kke s ILE 180 Cb -0.23 -1.70 0.10 0.00 0.01 0.00 0.00 42.46 40.64 3kke s ILE 180 CO 0.02 0.52 1.09 0.00 0.00 0.00 0.00 174.94 176.56 3kke s ALA 181 N 1.05 3.00 -0.16 9.38 0.00 -0.27 -4.92 121.76 129.85 3kke s ALA 181 Ca -0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 3kke s ALA 181 Cb -0.14 -2.60 0.08 0.00 0.00 0.00 0.00 23.12 20.45 3kke s ALA 181 CO -0.06 -1.57 0.22 0.12 0.00 0.00 0.00 175.76 174.47 3kke s PHE 182 N -3.39 -0.30 -0.49 0.00 2.19 0.16 -2.52 117.98 113.63 3kke s PHE 182 Ca 0.64 0.52 -0.18 0.00 0.33 0.00 0.00 56.93 58.24 3kke s PHE 182 Cb -0.09 -0.24 0.06 0.00 -1.31 0.00 0.00 43.02 41.43 3kke s PHE 182 CO 0.47 -0.46 0.56 0.42 1.83 0.00 0.00 175.22 178.04 3kke s ILE 183 N 2.35 4.96 0.79 3.12 1.01 -0.30 -1.23 121.20 131.90 3kke s ILE 183 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3kke s ILE 183 Cb -0.14 -4.24 0.12 0.00 0.01 0.00 0.00 42.46 38.21 3kke s ILE 183 CO -0.10 -0.71 1.11 -0.55 0.00 0.00 0.00 174.94 174.68 3kke s SER 184 N 2.55 4.20 0.09 3.58 0.15 0.48 -0.57 113.70 124.18 3kke s SER 184 Ca 0.13 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3kke s SER 184 Cb -0.20 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 3kke s SER 184 CO 0.11 -2.00 0.00 0.61 1.20 0.00 0.00 173.24 173.16 3kke n GLY 185 N -3.16 -2.52 3.77 9.45 0.00 -1.26 -1.75 105.19 109.71 3kke n GLY 185 Ca 0.12 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 3kke n GLY 185 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kke s THR 186 N -0.09 3.30 0.58 2.61 -4.23 -1.26 -0.94 115.64 115.60 3kke s THR 186 Ca 0.00 0.44 0.27 0.00 -1.18 0.00 0.00 61.69 61.22 3kke s THR 186 Cb 0.00 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 71.25 3kke s THR 186 CO 0.00 -0.53 2.23 0.00 -0.54 0.00 0.00 174.62 175.77 3kke h ALA 187 N -1.02 1.64 0.00 3.99 0.00 -1.91 -3.05 119.26 118.92 3kke h ALA 187 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kke h ALA 187 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kke h ALA 187 CO 0.51 -0.01 -1.07 0.44 0.00 0.00 0.00 179.25 179.12 3kke n ILE 188 N -4.00 0.10 -2.63 0.00 -5.35 -1.26 -4.86 119.36 101.36 3kke n ILE 188 Ca -0.03 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 61.83 3kke n ILE 188 Cb 0.09 0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 3kke n ILE 188 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3kke s HIS 189 N -3.17 3.39 0.28 4.28 2.46 -1.15 -4.78 115.29 116.60 3kke s HIS 189 Ca 0.04 1.48 0.06 0.00 0.47 0.00 0.00 55.06 57.10 3kke s HIS 189 Cb 0.15 -3.26 0.42 0.00 -0.13 0.00 0.00 32.58 29.76 3kke s HIS 189 CO 0.82 -0.54 1.68 0.38 -2.47 0.00 0.00 174.74 174.61 3kke h ASP 190 N 7.28 0.27 -0.66 9.88 2.03 -1.89 -2.28 116.42 131.04 3kke h ASP 190 Ca -0.29 -0.12 -0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3kke h ASP 190 Cb 1.13 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.52 3kke h ASP 190 CO 0.89 0.67 0.41 0.74 -1.03 0.00 0.00 179.24 180.92 3kke h THR 191 N 0.22 1.19 -0.69 1.15 2.02 -1.92 -1.40 112.91 113.47 3kke h THR 191 Ca 0.02 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 3kke h THR 191 Cb 0.85 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3kke h THR 191 CO 0.07 0.19 0.25 0.00 0.37 0.00 0.00 175.52 176.40 3kke h ALA 192 N 1.21 0.90 -0.20 6.16 0.00 -1.75 -2.40 119.26 123.18 3kke h ALA 192 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kke h ALA 192 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3kke h ALA 192 CO -0.05 0.54 -0.19 1.96 0.00 0.00 0.00 179.25 181.51 3kke h GLN 193 N 0.99 0.49 -0.50 0.00 1.08 -1.33 -1.86 115.11 113.98 3kke h GLN 193 Ca 0.23 -0.26 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3kke h GLN 193 Cb 0.25 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 3kke h GLN 193 CO -0.01 0.83 0.33 0.00 -0.95 0.00 0.00 178.83 179.03 3kke h ARG 194 N 0.17 0.39 0.02 1.46 3.08 -1.13 0.18 114.38 118.54 3kke h ARG 194 Ca 0.03 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 3kke h ARG 194 Cb 0.74 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3kke h ARG 194 CO 0.05 0.26 -0.95 0.00 -1.07 0.00 0.00 179.97 178.25 3kke h ARG 195 N 0.40 0.19 -0.54 0.04 3.08 -1.39 -2.91 114.38 113.25 3kke h ARG 195 Ca 0.22 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3kke h ARG 195 Cb 0.35 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3kke h ARG 195 CO -0.05 1.00 0.24 -0.22 -1.07 0.00 0.00 179.97 179.87 3kke h LYS 196 N 0.09 0.79 -0.66 0.04 3.64 -0.32 -2.71 116.57 117.45 3kke h LYS 196 Ca -0.06 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3kke h LYS 196 Cb 1.61 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 33.22 3kke h LYS 196 CO 0.15 0.67 0.26 0.93 -2.27 0.00 0.00 179.45 179.18 3kke h GLU 197 N 0.72 0.42 -0.37 1.90 5.08 -0.72 -1.38 114.58 120.25 3kke h GLU 197 Ca 0.18 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3kke h GLU 197 Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kke h GLU 197 CO -0.02 0.28 0.06 0.78 -1.00 0.00 0.00 179.01 179.11 3kke h GLY 198 N 0.44 0.66 1.00 -3.84 0.00 -1.34 -0.63 103.07 99.35 3kke h GLY 198 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kke h GLY 198 CO -0.33 0.41 0.39 -1.82 0.00 0.00 0.00 176.54 175.18 3kke h TYR 199 N 0.45 0.74 0.31 5.60 5.03 -1.23 -1.03 116.97 126.83 3kke h TYR 199 Ca 0.11 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 3kke h TYR 199 Cb 0.36 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.40 3kke h TYR 199 CO 0.02 0.47 -0.15 -0.07 -1.32 0.00 0.00 178.16 177.12 3kke h LEU 200 N 0.79 -0.35 -1.79 2.82 3.38 -1.06 -2.13 115.31 116.98 3kke h LEU 200 Ca 0.21 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.28 3kke h LEU 200 Cb -0.09 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3kke h LEU 200 CO -0.05 -0.16 0.46 -0.08 0.09 0.00 0.00 178.44 178.70 3kke h GLU 201 N -0.51 0.21 0.09 1.13 4.81 -1.07 -1.10 114.58 118.13 3kke h GLU 201 Ca -0.04 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.92 3kke h GLU 201 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kke h GLU 201 CO 0.07 0.14 -1.20 1.15 -0.73 0.00 0.00 179.01 178.44 3kke h THR 202 N 0.21 1.53 -0.05 0.32 2.02 -1.12 -1.59 112.91 114.23 3kke h THR 202 Ca 0.32 -3.14 -0.05 0.00 0.77 0.00 0.00 66.41 64.30 3kke h THR 202 Cb 0.96 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 3kke h THR 202 CO -0.06 0.91 -0.20 -0.07 0.37 0.00 0.00 175.52 176.47 3kke h LEU 203 N 0.05 0.08 0.12 2.58 3.38 -0.56 -2.18 115.31 118.78 3kke h LEU 203 Ca -0.11 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 3kke h LEU 203 Cb 1.92 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 3kke h LEU 203 CO 0.18 0.29 -1.36 0.00 0.09 0.00 0.00 178.44 177.65 3kke h ALA 204 N 1.72 0.18 -0.33 1.53 0.00 -1.23 1.15 119.26 122.27 3kke h ALA 204 Ca 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 3kke h ALA 204 Cb 0.41 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kke h ALA 204 CO 0.03 1.05 0.04 0.66 0.00 0.00 0.00 179.25 181.03 3kke h SER 205 N 0.07 0.54 0.54 0.00 4.64 -1.22 -2.35 113.55 115.77 3kke h SER 205 Ca -0.18 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 3kke h SER 205 Cb 1.99 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.92 3kke h SER 205 CO 0.19 0.67 -0.40 0.00 -0.87 0.00 0.00 176.83 176.41 3kke h ALA 206 N 0.88 1.19 -1.75 5.18 0.00 -1.51 -3.48 119.26 119.77 3kke h ALA 206 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kke h ALA 206 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kke h ALA 206 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3kke n GLY 207 N -0.16 0.57 3.54 0.00 0.00 -0.11 -5.08 105.19 103.93 3kke n GLY 207 Ca -0.01 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 3kke n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kke s LEU 208 N -1.75 2.69 0.49 0.99 1.43 0.38 -4.99 118.68 117.93 3kke s LEU 208 Ca 0.00 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 51.64 3kke s LEU 208 Cb 0.00 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.28 3kke s LEU 208 CO 0.00 -0.32 1.09 0.00 0.23 0.00 0.00 176.35 177.35 3kke s ARG 209 N -3.68 3.67 -0.03 1.70 1.04 -1.26 -4.62 118.95 115.78 3kke s ARG 209 Ca 0.33 1.53 -0.08 0.00 -1.04 0.00 0.00 55.73 56.46 3kke s ARG 209 Cb 0.05 -2.15 0.01 0.00 -2.04 0.00 0.00 34.95 30.82 3kke s ARG 209 CO 0.16 -0.57 0.18 0.45 -0.04 0.00 0.00 175.30 175.48 3kke s SER 210 N -1.78 -0.09 0.35 -2.89 0.15 -1.26 -4.74 113.70 103.45 3kke s SER 210 Ca 0.68 0.05 0.09 0.00 0.70 0.00 0.00 55.95 57.47 3kke s SER 210 Cb -0.21 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.33 3kke s SER 210 CO 0.25 -0.27 -0.04 -1.61 1.20 0.00 0.00 173.24 172.77 3kke s GLU 211 N -0.85 1.93 0.19 5.44 2.02 -1.26 -5.04 118.70 121.13 3kke s GLU 211 Ca -0.09 -1.89 -0.06 0.00 0.02 0.00 0.00 54.97 52.94 3kke s GLU 211 Cb -0.05 -1.78 0.10 0.00 0.10 0.00 0.00 34.13 32.50 3kke s GLU 211 CO 0.01 0.11 1.57 0.00 0.02 0.00 0.00 175.26 176.97 3kke h ALA 212 N 1.90 0.76 0.00 5.21 0.00 -2.03 -3.22 119.26 121.89 3kke h ALA 212 Ca -0.42 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 3kke h ALA 212 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kke h ALA 212 CO 0.70 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 180.47 3kke h ALA 213 N 0.97 1.08 0.00 0.00 0.00 -2.00 -3.07 119.26 116.24 3kke h ALA 213 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kke h ALA 213 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kke h ALA 213 CO 0.07 0.17 -0.29 0.91 0.00 0.00 0.00 179.25 180.12 3kke n TRP 214 N -3.38 0.60 -3.69 0.00 8.01 -1.22 -4.66 117.44 113.11 3kke n TRP 214 Ca -0.00 0.18 -0.39 0.00 -1.31 0.00 0.00 57.50 55.97 3kke n TRP 214 Cb 0.33 -0.72 -0.12 0.00 -2.01 0.00 0.00 31.31 28.79 3kke n TRP 214 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3kke s VAL 215 N -3.11 4.17 -0.12 -0.99 1.01 -1.16 -0.66 120.40 119.54 3kke s VAL 215 Ca 0.09 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3kke s VAL 215 Cb 0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3kke s VAL 215 CO 0.65 -0.13 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 3kke s VAL 216 N 1.49 2.22 0.16 2.92 1.01 -0.36 -4.97 120.40 122.87 3kke s VAL 216 Ca 0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 3kke s VAL 216 Cb -0.19 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 3kke s VAL 216 CO 0.04 0.55 0.91 -1.81 0.00 0.00 0.00 175.10 174.80 3kke s ASP 217 N 0.49 7.52 0.00 3.32 1.01 -1.26 -0.38 116.67 127.36 3kke s ASP 217 Ca -0.14 1.81 0.00 0.00 0.71 0.00 0.00 52.55 54.93 3kke s ASP 217 Cb -0.17 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3kke s ASP 217 CO 0.05 0.07 0.00 0.00 0.21 0.00 0.00 175.17 175.50 3kke n ALA 218 N 2.12 1.22 0.00 5.23 0.00 -0.11 -4.85 120.51 124.12 3kke n ALA 218 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kke n ALA 218 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kke n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kke n GLY 219 N 0.25 0.30 0.18 0.00 0.00 -0.86 -4.15 105.19 100.92 3kke n GLY 219 Ca 0.00 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.08 3kke n GLY 219 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kke h TRP 220 N 0.00 0.00 -2.50 1.61 -0.00 -1.92 -3.38 115.95 109.75 3kke h TRP 220 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 58.89 58.34 3kke h TRP 220 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.09 3kke h TRP 220 CO 0.00 0.00 -0.56 -1.21 -0.00 0.00 0.00 178.44 176.67 3kke s GLU 221 N -3.22 2.85 0.26 0.49 0.41 -1.26 -1.57 118.70 116.65 3kke s GLU 221 Ca 0.08 -0.98 -0.04 0.00 -0.41 0.00 0.00 54.97 53.61 3kke s GLU 221 Cb 0.08 -2.57 0.52 0.00 -1.78 0.00 0.00 34.13 30.38 3kke s GLU 221 CO 0.62 0.45 1.65 0.00 -0.49 0.00 0.00 175.26 177.48 3kke h ALA 222 N 2.06 0.95 -0.06 5.21 0.00 -1.84 -0.62 119.26 124.96 3kke h ALA 222 Ca -0.48 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3kke h ALA 222 Cb 1.22 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3kke h ALA 222 CO 0.62 -0.42 -0.53 0.38 0.00 0.00 0.00 179.25 179.30 3kke h ASP 223 N 0.16 0.20 -0.15 0.00 2.03 -1.92 -0.53 116.42 116.21 3kke h ASP 223 Ca 0.45 -0.10 -0.02 0.00 -0.73 0.00 0.00 57.03 56.63 3kke h ASP 223 Cb 0.83 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 3kke h ASP 223 CO -0.63 0.69 -0.00 0.00 -1.03 0.00 0.00 179.24 178.27 3kke h ALA 224 N 1.31 0.20 -0.69 4.15 0.00 -1.55 -1.48 119.26 121.21 3kke h ALA 224 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kke h ALA 224 Cb 0.98 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3kke h ALA 224 CO 0.08 -0.10 0.44 0.78 0.00 0.00 0.00 179.25 180.46 3kke h GLY 225 N -0.00 0.99 0.98 0.00 0.00 -0.81 -0.96 103.07 103.27 3kke h GLY 225 Ca 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3kke h GLY 225 CO 0.01 0.31 0.14 1.76 0.00 0.00 0.00 176.54 178.76 3kke h SER 226 N 0.89 0.77 -0.32 0.19 0.02 -1.11 -1.39 113.55 112.59 3kke h SER 226 Ca 0.27 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3kke h SER 226 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3kke h SER 226 CO -0.08 0.79 0.19 0.00 -1.14 0.00 0.00 176.83 176.59 3kke h ALA 227 N 1.01 0.41 -0.66 3.77 0.00 -0.75 -2.12 119.26 120.93 3kke h ALA 227 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kke h ALA 227 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kke h ALA 227 CO -0.00 -0.08 0.42 0.00 0.00 0.00 0.00 179.25 179.59 3kke h ALA 228 N 1.07 1.50 -0.15 0.00 0.00 -1.09 -2.21 119.26 118.38 3kke h ALA 228 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kke h ALA 228 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kke h ALA 228 CO -0.02 0.45 -0.11 1.25 0.00 0.00 0.00 179.25 180.82 3kke h LEU 229 N 0.90 0.36 -0.79 0.00 7.12 -0.98 -1.49 115.31 120.43 3kke h LEU 229 Ca 0.24 -0.45 0.15 0.00 0.13 0.00 0.00 57.88 57.95 3kke h LEU 229 Cb -0.07 -0.10 -0.10 0.00 -0.53 0.00 0.00 40.66 39.86 3kke h LEU 229 CO -0.05 0.74 0.34 0.78 -0.13 0.00 0.00 178.44 180.12 3kke h ASN 230 N -0.01 0.34 -0.45 1.25 -0.26 -1.21 -0.38 115.58 114.86 3kke h ASN 230 Ca 0.03 0.11 -0.12 0.00 -0.56 0.00 0.00 56.30 55.76 3kke h ASN 230 Cb 0.62 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 3kke h ASN 230 CO 0.03 0.12 -0.17 0.74 -1.06 0.00 0.00 177.43 177.09 3kke h THR 231 N 0.48 1.27 -0.12 2.81 2.02 -1.21 -0.65 112.91 117.51 3kke h THR 231 Ca 0.44 -1.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 3kke h THR 231 Cb 0.68 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3kke h THR 231 CO -0.41 0.46 -0.28 -0.07 0.37 0.00 0.00 175.52 175.59 3kke h LEU 232 N 0.83 0.22 -0.06 2.58 3.38 -0.72 0.74 115.31 122.29 3kke h LEU 232 Ca 0.12 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3kke h LEU 232 Cb 0.72 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kke h LEU 232 CO 0.06 0.50 -0.67 0.22 0.09 0.00 0.00 178.44 178.64 3kke h TYR 233 N 0.20 0.78 0.10 1.13 3.20 -0.69 -0.94 116.97 120.75 3kke h TYR 233 Ca 0.03 -0.38 -0.19 0.00 3.14 0.00 0.00 58.73 61.33 3kke h TYR 233 Cb 0.60 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3kke h TYR 233 CO 0.01 1.19 -0.93 0.00 -1.64 0.00 0.00 178.16 176.79 3kke h ARG 234 N 0.14 0.20 0.10 1.82 3.08 -1.08 -3.25 114.38 115.40 3kke h ARG 234 Ca -0.07 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.49 3kke h ARG 234 Cb 1.33 0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.53 3kke h ARG 234 CO 0.13 1.17 -0.65 0.78 -1.07 0.00 0.00 179.97 180.33 3kke h GLY 235 N -0.38 0.25 -2.34 0.04 0.00 -1.00 -3.38 103.07 96.26 3kke h GLY 235 Ca -0.19 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3kke h GLY 235 CO 0.06 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.15 3kke n ALA 236 N -2.69 2.93 -3.64 3.60 0.00 -0.84 -4.98 120.51 114.89 3kke n ALA 236 Ca -0.14 -1.72 -0.27 0.00 0.00 0.00 0.00 53.44 51.31 3kke n ALA 236 Cb 0.74 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.38 3kke n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kke n ASN 237 N 0.53 -4.28 -4.69 0.00 3.02 -1.05 -4.31 115.26 104.48 3kke n ASN 237 Ca 0.22 -0.60 -0.45 0.00 -0.03 0.00 0.00 54.58 53.72 3kke n ASN 237 Cb 0.82 -3.48 -0.04 0.00 -0.61 0.00 0.00 39.78 36.47 3kke n ASN 237 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kke n LEU 238 N -4.18 3.46 -0.06 3.41 7.94 -0.42 -1.74 117.00 125.42 3kke n LEU 238 Ca 0.01 1.06 -0.01 0.00 -1.11 0.00 0.00 56.01 55.96 3kke n LEU 238 Cb 0.53 -1.48 -0.00 0.00 0.53 0.00 0.00 43.42 43.00 3kke n LEU 238 CO 0.64 -0.10 -0.01 0.61 -1.11 0.00 0.00 177.39 177.43 3kke n GLY 239 N 3.71 0.49 2.11 -3.96 0.00 -0.74 -4.74 105.19 102.06 3kke n GLY 239 Ca 0.17 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3kke n GLY 239 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kke n LYS 240 N -2.76 1.16 -0.11 1.61 -0.00 -0.71 -4.91 118.16 112.45 3kke n LYS 240 Ca -0.01 -2.02 -0.05 0.00 -0.00 0.00 0.00 58.31 56.23 3kke n LYS 240 Cb 0.05 0.38 0.02 0.00 -0.00 0.00 0.00 35.03 35.48 3kke n LYS 240 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3kke h PRO 241 N 0.00 0.06 -0.17 -1.58 0.14 -1.96 -2.67 132.00 125.82 3kke h PRO 241 Ca -0.22 -0.00 -0.20 0.00 0.14 0.00 0.00 66.00 65.71 3kke h PRO 241 Cb 0.72 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 31.85 3kke h PRO 241 CO 0.35 0.04 -0.70 0.38 0.14 0.00 0.00 178.00 178.21 3kke h ASP 242 N 0.06 0.85 -3.50 1.44 2.03 -1.95 -3.49 116.42 111.87 3kke h ASP 242 Ca 0.18 -0.53 -0.45 0.00 -0.73 0.00 0.00 57.03 55.50 3kke h ASP 242 Cb 0.26 -0.25 0.20 0.00 -0.83 0.00 0.00 39.33 38.71 3kke h ASP 242 CO -0.33 1.31 0.07 -0.83 -1.03 0.00 0.00 179.24 178.43 3kke s GLY 243 N -4.12 1.57 0.64 7.15 0.00 -1.01 -4.99 107.32 106.56 3kke s GLY 243 Ca -0.09 -0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.37 3kke s GLY 243 CO 0.89 0.59 1.29 -4.14 0.00 0.00 0.00 173.10 171.72 3kke s PRO 244 N -4.57 2.61 0.00 2.90 0.02 -1.26 -4.69 135.00 130.01 3kke s PRO 244 Ca 0.68 2.05 0.17 0.00 0.02 0.00 0.00 61.00 63.92 3kke s PRO 244 Cb -0.24 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.48 3kke s PRO 244 CO 0.63 -1.55 0.96 0.25 -0.33 0.00 0.00 177.00 176.95 3kke n THR 245 N -1.85 0.00 -3.78 0.99 -2.24 -0.23 -1.78 114.28 105.39 3kke n THR 245 Ca 0.15 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 3kke n THR 245 Cb 0.48 1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 3kke n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kke s ALA 246 N -1.73 -0.57 -0.10 6.98 0.00 -1.20 -0.51 121.76 124.63 3kke s ALA 246 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 3kke s ALA 246 Cb 0.14 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.66 3kke s ALA 246 CO 0.33 -0.42 0.23 0.54 0.00 0.00 0.00 175.76 176.44 3kke s VAL 247 N -2.78 -0.13 -0.04 0.00 0.11 0.17 -1.11 120.40 116.61 3kke s VAL 247 Ca -0.03 0.19 -0.23 0.00 -2.93 0.00 0.00 61.98 58.98 3kke s VAL 247 Cb -0.00 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3kke s VAL 247 CO -0.05 0.08 0.68 -0.69 -3.33 0.00 0.00 175.10 171.79 3kke s VAL 248 N 1.55 4.99 -0.14 2.04 1.01 -1.05 -1.70 120.40 127.11 3kke s VAL 248 Ca -0.06 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.32 3kke s VAL 248 Cb -0.11 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3kke s VAL 248 CO -0.08 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.47 3kke s VAL 249 N 0.50 2.67 0.41 2.92 1.01 0.64 -1.15 120.40 127.42 3kke s VAL 249 Ca 0.36 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.65 3kke s VAL 249 Cb -0.18 -2.11 0.20 0.00 0.00 0.00 0.00 36.38 34.29 3kke s VAL 249 CO 0.18 0.53 1.98 0.00 0.00 0.00 0.00 175.10 177.79 3kke h ALA 250 N 7.01 1.63 -2.60 5.51 0.00 -1.13 -2.51 119.26 127.17 3kke h ALA 250 Ca -0.28 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3kke h ALA 250 Cb 1.21 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 3kke h ALA 250 CO 0.55 0.28 -0.58 0.45 0.00 0.00 0.00 179.25 179.95 3kke s SER 251 N -6.86 0.24 0.22 0.00 0.15 -1.26 -4.34 113.70 101.86 3kke s SER 251 Ca -0.06 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 3kke s SER 251 Cb 0.16 0.20 0.22 0.00 -1.71 0.00 0.00 66.02 64.89 3kke s SER 251 CO 0.72 -0.49 1.66 1.62 1.20 0.00 0.00 173.24 177.95 3kke h VAL 252 N 3.73 1.27 -0.65 4.45 3.04 -1.73 -1.31 116.25 125.05 3kke h VAL 252 Ca -0.33 -1.27 -0.04 0.00 -1.01 0.00 0.00 66.70 64.05 3kke h VAL 252 Cb 1.18 1.14 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 3kke h VAL 252 CO 0.52 0.43 0.24 0.78 -1.01 0.00 0.00 177.57 178.52 3kke h ASN 253 N 0.69 0.91 -0.62 3.17 4.21 -1.91 0.12 115.58 122.15 3kke h ASN 253 Ca 0.10 -0.18 -0.04 0.00 1.21 0.00 0.00 56.30 57.39 3kke h ASN 253 Cb 0.67 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 3kke h ASN 253 CO 0.05 0.85 0.25 0.00 -1.29 0.00 0.00 177.43 177.29 3kke h ALA 254 N 1.10 1.22 -0.65 -0.83 0.00 -0.82 -1.31 119.26 117.97 3kke h ALA 254 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kke h ALA 254 Cb 0.24 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kke h ALA 254 CO -0.01 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.96 3kke h ALA 255 N 1.34 1.05 -0.45 0.00 0.00 -0.06 0.13 119.26 121.25 3kke h ALA 255 Ca 0.22 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3kke h ALA 255 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kke h ALA 255 CO -0.02 0.63 -0.16 0.28 0.00 0.00 0.00 179.25 179.97 3kke h VAL 256 N 0.98 1.27 -0.53 0.00 2.07 -0.41 -1.15 116.25 118.48 3kke h VAL 256 Ca 0.21 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3kke h VAL 256 Cb 0.35 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kke h VAL 256 CO 0.00 0.44 0.33 1.23 0.02 0.00 0.00 177.57 179.59 3kke h GLY 257 N 0.95 0.75 0.92 2.17 0.00 -0.75 -2.30 103.07 104.81 3kke h GLY 257 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3kke h GLY 257 CO 0.05 0.22 0.13 0.00 0.00 0.00 0.00 176.54 176.94 3kke h ALA 258 N 1.23 0.41 0.18 3.60 0.00 -0.15 -2.15 119.26 122.38 3kke h ALA 258 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kke h ALA 258 Cb -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kke h ALA 258 CO -0.08 0.01 -0.45 1.25 0.00 0.00 0.00 179.25 179.98 3kke h LEU 259 N 0.37 -1.33 -0.65 0.00 5.85 -1.21 0.17 115.31 118.51 3kke h LEU 259 Ca 0.11 0.14 0.12 0.00 0.84 0.00 0.00 57.88 59.09 3kke h LEU 259 Cb 0.18 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 3kke h LEU 259 CO -0.01 -0.53 0.18 0.28 -0.34 0.00 0.00 178.44 178.02 3kke h SER 260 N -0.73 0.09 -0.05 1.25 0.02 -1.26 -0.45 113.55 112.43 3kke h SER 260 Ca 0.00 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 3kke h SER 260 Cb 0.73 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3kke h SER 260 CO -0.22 0.04 -0.65 0.74 -1.14 0.00 0.00 176.83 175.60 3kke h THR 261 N 0.32 1.31 -0.57 -2.27 2.02 -1.11 -1.28 112.91 111.34 3kke h THR 261 Ca 0.34 -1.90 0.11 0.00 0.77 0.00 0.00 66.41 65.73 3kke h THR 261 Cb 0.51 1.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.70 3kke h THR 261 CO -0.40 0.60 0.10 0.00 0.37 0.00 0.00 175.52 176.18 3kke h ALA 262 N 0.79 0.64 -0.17 6.16 0.00 0.33 -2.03 119.26 124.98 3kke h ALA 262 Ca -0.01 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3kke h ALA 262 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kke h ALA 262 CO 0.13 -0.32 -0.42 -0.07 0.00 0.00 0.00 179.25 178.57 3kke h LEU 263 N 0.23 0.66 -0.58 0.00 3.38 -0.86 -2.19 115.31 115.95 3kke h LEU 263 Ca 0.29 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3kke h LEU 263 Cb 0.43 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3kke h LEU 263 CO -0.40 1.11 0.26 0.03 0.09 0.00 0.00 178.44 179.54 3kke h ARG 264 N 0.23 0.47 -0.70 1.13 3.08 -1.09 -1.84 114.38 115.66 3kke h ARG 264 Ca -0.00 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3kke h ARG 264 Cb 1.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 3kke h ARG 264 CO 0.09 0.31 0.46 -0.07 -1.07 0.00 0.00 179.97 179.70 3kke h LEU 265 N 0.49 0.71 0.00 3.04 3.38 -1.32 -3.46 115.31 118.14 3kke h LEU 265 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kke h LEU 265 Cb 0.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kke h LEU 265 CO -0.23 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.39 3kke n GLY 266 N -1.44 1.50 3.70 0.83 0.00 -0.69 -5.11 105.19 103.97 3kke n GLY 266 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3kke n GLY 266 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kke s LEU 267 N 0.00 4.29 0.21 0.99 1.43 -0.83 -5.04 118.68 119.74 3kke s LEU 267 Ca 0.00 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 54.41 3kke s LEU 267 Cb 0.00 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 3kke s LEU 267 CO 0.00 -0.40 1.11 0.00 0.23 0.00 0.00 176.35 177.29 3kke s ARG 268 N 1.67 4.61 -0.12 1.70 1.04 -1.26 -4.08 118.95 122.50 3kke s ARG 268 Ca 0.50 1.76 0.03 0.00 -1.04 0.00 0.00 55.73 56.98 3kke s ARG 268 Cb -0.20 -3.25 0.01 0.00 -2.04 0.00 0.00 34.95 29.47 3kke s ARG 268 CO 0.22 0.11 -0.23 0.08 -0.04 0.00 0.00 175.30 175.45 3kke s VAL 269 N -0.54 2.03 -2.49 4.99 1.01 -1.26 -1.03 120.40 123.10 3kke s VAL 269 Ca 0.48 -0.98 0.27 0.00 0.00 0.00 0.00 61.98 61.75 3kke s VAL 269 Cb -0.30 -1.77 0.54 0.00 0.00 0.00 0.00 36.38 34.84 3kke s VAL 269 CO 0.37 0.55 1.72 -0.81 0.00 0.00 0.00 175.10 176.93 3kke n PRO 270 N 3.80 1.68 -0.07 2.72 -0.04 -1.26 -4.91 135.00 136.92 3kke n PRO 270 Ca -0.20 -0.99 -0.10 0.00 -0.04 0.00 0.00 63.50 62.17 3kke n PRO 270 Cb 0.52 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3kke n PRO 270 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kke h GLU 271 N 2.39 0.35 0.00 0.54 3.07 -1.90 -3.13 114.58 115.90 3kke h GLU 271 Ca 0.00 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 3kke h GLU 271 Cb 0.51 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3kke h GLU 271 CO 0.00 0.31 -1.50 -0.25 -1.40 0.00 0.00 179.01 176.17 3kke n ASP 272 N -4.85 0.54 -3.67 1.42 10.43 -0.20 -4.89 116.55 115.33 3kke n ASP 272 Ca -0.02 0.22 -0.09 0.00 2.57 0.00 0.00 54.79 57.47 3kke n ASP 272 Cb 0.07 0.86 -0.09 0.00 1.84 0.00 0.00 41.12 43.80 3kke n ASP 272 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kke s LEU 273 N -5.24 -0.55 -0.22 0.64 2.96 -1.05 -4.51 118.68 110.70 3kke s LEU 273 Ca -0.04 1.23 -0.09 0.00 -0.22 0.00 0.00 54.13 55.01 3kke s LEU 273 Cb 0.10 1.91 -0.05 0.00 0.50 0.00 0.00 46.19 48.66 3kke s LEU 273 CO 0.83 -0.22 0.12 -0.44 -1.32 0.00 0.00 176.35 175.32 3kke s SER 274 N 1.52 5.90 -0.14 3.68 0.01 0.33 -4.19 113.70 120.82 3kke s SER 274 Ca -0.10 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.26 3kke s SER 274 Cb -0.07 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 3kke s SER 274 CO -0.17 0.10 -0.15 -0.63 0.41 0.00 0.00 173.24 172.81 3kke s ILE 275 N 0.82 2.75 -0.08 1.44 1.01 -0.73 0.42 121.20 126.84 3kke s ILE 275 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3kke s ILE 275 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3kke s ILE 275 CO 0.02 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.60 3kke s VAL 276 N 0.64 1.67 0.27 2.92 1.01 -0.69 -4.16 120.40 122.07 3kke s VAL 276 Ca -0.08 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3kke s VAL 276 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3kke s VAL 276 CO 0.02 0.47 0.21 -0.83 0.00 0.00 0.00 175.10 174.98 3kke s GLY 277 N 0.33 1.48 -0.13 4.51 0.00 -0.42 -0.26 107.32 112.83 3kke s GLY 277 Ca -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 3kke s GLY 277 CO 0.06 -1.49 -0.08 -0.42 0.00 0.00 0.00 173.10 171.17 3kke s ILE 278 N -2.17 3.54 0.13 0.90 1.01 -0.95 -1.09 121.20 122.58 3kke s ILE 278 Ca 0.34 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3kke s ILE 278 Cb -0.07 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3kke s ILE 278 CO 0.25 0.52 0.00 0.59 0.00 0.00 0.00 174.94 176.30 3kke n ASN 279 N 3.33 -1.65 -3.82 3.58 3.02 0.19 -2.59 115.26 117.31 3kke n ASN 279 Ca -0.18 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.54 3kke n ASN 279 Cb 0.53 -0.90 -0.16 0.00 -0.61 0.00 0.00 39.78 38.64 3kke n ASN 279 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kke s THR 280 N -3.45 0.09 0.38 3.41 2.01 -1.26 -4.40 115.64 112.42 3kke s THR 280 Ca 0.00 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3kke s THR 280 Cb 0.00 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3kke s THR 280 CO 0.00 0.10 0.10 0.42 -0.69 0.00 0.00 174.62 174.56 3kke s THR 281 N 0.81 0.79 0.53 -0.82 -4.23 -1.26 -5.00 115.64 106.46 3kke s THR 281 Ca -0.08 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.68 3kke s THR 281 Cb -0.11 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.56 3kke s THR 281 CO -0.02 0.00 2.17 4.11 -0.54 0.00 0.00 174.62 180.35 3kke h TRP 282 N 1.88 0.00 -0.19 3.99 5.08 -1.98 -2.63 115.95 122.11 3kke h TRP 282 Ca -0.37 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.55 3kke h TRP 282 Cb 1.27 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 3kke h TRP 282 CO 1.20 0.04 -0.07 0.28 -1.28 0.00 0.00 178.44 178.60 3kke h VAL 283 N 0.00 1.30 -0.10 0.12 2.07 -1.98 -0.87 116.25 116.79 3kke h VAL 283 Ca -0.00 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 3kke h VAL 283 Cb 0.08 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3kke h VAL 283 CO 0.00 0.33 -0.29 0.77 0.02 0.00 0.00 177.57 178.41 3kke h SER 284 N 0.07 0.19 1.67 0.57 4.64 -1.85 -2.20 113.55 116.63 3kke h SER 284 Ca 0.04 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3kke h SER 284 Cb 0.54 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kke h SER 284 CO 0.02 0.48 -0.16 0.44 -0.87 0.00 0.00 176.83 176.74 3kke h ASP 285 N 0.17 0.00 0.14 4.97 3.32 -1.45 -0.80 116.42 122.77 3kke h ASP 285 Ca 0.03 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.72 3kke h ASP 285 Cb 0.61 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 3kke h ASP 285 CO 0.04 0.16 -2.14 0.41 -1.72 0.00 0.00 179.24 176.00 3kke n THR 286 N -3.16 1.62 -0.78 0.35 -1.04 -0.34 -4.85 114.28 106.08 3kke n THR 286 Ca 0.03 -0.68 -0.30 0.00 -2.04 0.00 0.00 64.05 61.05 3kke n THR 286 Cb 0.56 -1.35 0.17 0.00 -1.82 0.00 0.00 70.33 67.89 3kke n THR 286 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kke s VAL 287 N -2.55 2.27 -0.13 12.58 -7.23 -0.88 -4.89 120.40 119.58 3kke s VAL 287 Ca -0.21 0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3kke s VAL 287 Cb 0.07 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.82 3kke s VAL 287 CO 0.74 -0.11 -0.11 -0.47 -0.31 0.00 0.00 175.10 174.84 3kke s TYR 288 N -2.67 1.80 0.49 2.82 5.04 -1.26 -1.66 117.35 121.90 3kke s TYR 288 Ca 0.66 -0.97 -0.22 0.00 -2.44 0.00 0.00 57.07 54.10 3kke s TYR 288 Cb -0.22 -1.40 -0.07 0.00 0.35 0.00 0.00 41.96 40.62 3kke s TYR 288 CO 0.59 -0.59 1.20 -1.25 -1.34 0.00 0.00 175.55 174.16 3kke s PRO 289 N 1.61 3.59 0.35 4.97 0.04 -1.26 -5.12 135.00 139.18 3kke s PRO 289 Ca 0.05 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 3kke s PRO 289 Cb -0.13 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3kke s PRO 289 CO -0.09 -0.71 1.21 0.00 0.04 0.00 0.00 177.00 177.44 3kke s ALA 290 N -1.52 3.33 -0.10 8.56 0.00 -0.67 -4.82 121.76 126.54 3kke s ALA 290 Ca 0.66 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 3kke s ALA 290 Cb -0.30 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3kke s ALA 290 CO 0.36 -0.50 1.06 -0.51 0.00 0.00 0.00 175.76 176.17 3kke s LEU 291 N -2.03 4.25 0.14 0.00 1.43 -0.31 -1.39 118.68 120.77 3kke s LEU 291 Ca 0.52 1.60 -0.31 0.00 -1.03 0.00 0.00 54.13 54.90 3kke s LEU 291 Cb -0.34 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.23 3kke s LEU 291 CO 0.44 -0.50 1.46 -0.89 0.23 0.00 0.00 176.35 177.10 3kke s THR 292 N 2.15 2.99 0.17 5.49 2.01 -1.26 -4.68 115.64 122.50 3kke s THR 292 Ca 0.50 0.72 -0.02 0.00 0.31 0.00 0.00 61.69 63.20 3kke s THR 292 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3kke s THR 292 CO 0.18 0.06 0.11 0.42 -0.69 0.00 0.00 174.62 174.70 3kke s THR 293 N 1.05 0.05 -0.27 -0.82 -4.23 -0.92 -1.30 115.64 109.20 3kke s THR 293 Ca 0.66 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3kke s THR 293 Cb -0.40 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.24 3kke s THR 293 CO 0.31 -0.24 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.42 3kke s VAL 294 N -4.10 2.80 -0.18 2.29 1.01 -0.25 -0.80 120.40 121.17 3kke s VAL 294 Ca 0.31 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3kke s VAL 294 Cb 0.07 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kke s VAL 294 CO 0.06 0.04 0.94 -0.60 0.00 0.00 0.00 175.10 175.55 3kke s ARG 295 N 1.26 4.30 0.22 2.72 3.52 -0.45 0.53 118.95 131.06 3kke s ARG 295 Ca -0.03 1.21 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 3kke s ARG 295 Cb -0.18 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 3kke s ARG 295 CO -0.03 -0.44 0.35 -0.51 -0.81 0.00 0.00 175.30 173.85 3kke s LEU 296 N 2.53 4.32 -1.27 -0.88 1.43 -1.26 -1.33 118.68 122.22 3kke s LEU 296 Ca 0.42 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 3kke s LEU 296 Cb -0.16 -2.88 0.17 0.00 0.03 0.00 0.00 46.19 43.35 3kke s LEU 296 CO 0.11 -0.05 1.80 -0.81 0.23 0.00 0.00 176.35 177.63 3kke n PRO 297 N -1.23 3.56 -0.08 1.29 -0.04 -1.26 -4.79 135.00 132.46 3kke n PRO 297 Ca -0.09 -3.57 -0.03 0.00 -0.04 0.00 0.00 63.50 59.77 3kke n PRO 297 Cb 0.56 -2.95 0.19 0.00 -0.04 0.00 0.00 33.50 31.26 3kke n PRO 297 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kke h LEU 298 N 8.27 0.69 -0.64 1.53 3.38 -1.96 -2.12 115.31 124.45 3kke h LEU 298 Ca 0.38 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3kke h LEU 298 Cb 0.68 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3kke h LEU 298 CO 1.56 0.77 0.21 -0.61 0.09 0.00 0.00 178.44 180.46 3kke h GLN 299 N 0.67 0.99 -0.10 1.13 4.15 -1.87 -1.65 115.11 118.44 3kke h GLN 299 Ca 0.13 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 3kke h GLN 299 Cb 0.45 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 3kke h GLN 299 CO 0.02 0.87 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.69 3kke h ARG 300 N 0.92 0.18 -0.74 1.69 9.65 -1.81 0.10 114.38 124.37 3kke h ARG 300 Ca 0.21 -0.06 0.16 0.00 -1.10 0.00 0.00 59.98 59.19 3kke h ARG 300 Cb 0.28 -0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 28.74 3kke h ARG 300 CO -0.01 0.47 0.18 1.25 2.80 0.00 0.00 179.97 184.65 3kke h LEU 301 N -0.13 0.00 -0.20 3.80 5.85 -1.24 1.09 115.31 124.48 3kke h LEU 301 Ca 0.03 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3kke h LEU 301 Cb 0.39 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3kke h LEU 301 CO 0.01 -0.04 0.06 1.23 -0.34 0.00 0.00 178.44 179.36 3kke h GLY 302 N 0.26 0.34 0.59 3.75 0.00 -1.14 0.09 103.07 106.96 3kke h GLY 302 Ca 0.42 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3kke h GLY 302 CO -0.52 0.19 -0.07 -2.09 0.00 0.00 0.00 176.54 174.05 3kke h GLU 303 N 0.15 -0.03 -0.38 4.80 4.81 0.14 -2.34 114.58 121.72 3kke h GLU 303 Ca 0.07 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3kke h GLU 303 Cb 0.23 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3kke h GLU 303 CO -0.00 -0.02 -0.28 0.28 -0.73 0.00 0.00 179.01 178.25 3kke h VAL 304 N -0.04 1.28 0.19 0.32 2.07 0.12 -2.30 116.25 117.90 3kke h VAL 304 Ca 0.09 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3kke h VAL 304 Cb 0.17 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3kke h VAL 304 CO -0.20 0.48 -0.09 0.00 0.02 0.00 0.00 177.57 177.78 3kke h ALA 305 N 0.78 -0.25 -0.94 1.67 0.00 -0.90 -1.52 119.26 118.10 3kke h ALA 305 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3kke h ALA 305 Cb 0.86 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3kke h ALA 305 CO 0.08 -0.63 0.57 0.00 0.00 0.00 0.00 179.25 179.27 3kke h ALA 306 N 0.54 1.41 -0.21 0.00 0.00 -1.43 -1.58 119.26 117.99 3kke h ALA 306 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kke h ALA 306 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kke h ALA 306 CO 0.04 0.16 0.12 -0.44 0.00 0.00 0.00 179.25 179.13 3kke h ASP 307 N 0.91 0.26 -0.19 0.00 3.32 -1.17 -2.05 116.42 117.51 3kke h ASP 307 Ca 0.47 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kke h ASP 307 Cb 0.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3kke h ASP 307 CO -0.27 0.26 0.11 0.58 -1.72 0.00 0.00 179.24 178.20 3kke h VAL 308 N 0.24 1.08 -0.34 -1.35 2.07 -0.47 0.18 116.25 117.67 3kke h VAL 308 Ca 0.07 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3kke h VAL 308 Cb 0.05 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3kke h VAL 308 CO -0.01 0.08 -0.10 0.25 0.02 0.00 0.00 177.57 177.80 3kke h LEU 309 N 0.22 -0.37 -0.47 2.57 5.85 -1.34 -0.20 115.31 121.57 3kke h LEU 309 Ca 0.07 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 3kke h LEU 309 Cb 0.03 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3kke h LEU 309 CO -0.01 -0.13 -0.71 0.24 -0.34 0.00 0.00 178.44 177.49 3kke h MET 310 N -0.03 0.30 -0.37 1.25 2.86 -1.06 0.08 114.93 117.97 3kke h MET 310 Ca 0.17 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 3kke h MET 310 Cb 0.28 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3kke h MET 310 CO -0.36 0.89 -0.12 0.93 1.06 0.00 0.00 176.91 179.30 3kke h GLU 311 N 0.21 0.65 -0.20 1.72 3.07 -0.56 -2.70 114.58 116.76 3kke h GLU 311 Ca -0.02 -0.20 -0.14 0.00 -0.50 0.00 0.00 59.36 58.49 3kke h GLU 311 Cb 1.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3kke h GLU 311 CO 0.11 0.75 -0.46 1.25 -1.40 0.00 0.00 179.01 179.26 3kke h HIS 312 N 0.59 0.62 0.00 4.33 6.17 -0.59 -2.27 115.15 124.01 3kke h HIS 312 Ca 0.10 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.99 3kke h HIS 312 Cb 0.55 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.36 3kke h HIS 312 CO 0.02 0.88 0.00 -0.07 0.71 0.00 0.00 177.93 179.48 3kke h LEU 313 N 0.41 0.00 -2.18 0.26 3.38 -0.86 -2.05 115.31 114.27 3kke h LEU 313 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kke h LEU 313 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kke h LEU 313 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3kke n GLY 314 N -0.48 1.73 0.00 0.83 0.00 -0.90 -4.97 105.19 101.41 3kke n GLY 314 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3kke n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kke n GLY 315 N 1.46 0.84 3.68 -0.02 0.00 -0.77 -5.08 105.19 105.30 3kke n GLY 315 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3kke n GLY 315 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kke s ARG 316 N 0.00 1.28 0.43 1.61 1.70 -0.94 -4.94 118.95 118.09 3kke s ARG 316 Ca 0.00 1.63 -0.22 0.00 -0.47 0.00 0.00 55.73 56.67 3kke s ARG 316 Cb 0.00 -1.75 -0.09 0.00 -0.57 0.00 0.00 34.95 32.54 3kke s ARG 316 CO 0.00 -2.46 1.01 0.00 -1.08 0.00 0.00 175.30 172.77 3kke s ALA 317 N -2.45 3.01 0.29 7.88 0.00 -1.26 -4.30 121.76 124.94 3kke s ALA 317 Ca 0.69 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 3kke s ALA 317 Cb -0.25 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 3kke s ALA 317 CO 0.55 -0.13 1.36 -0.51 0.00 0.00 0.00 175.76 177.03 3kke s LEU 318 N -3.00 4.41 0.45 0.00 1.43 -1.26 -4.79 118.68 115.93 3kke s LEU 318 Ca 0.61 2.67 0.06 0.00 -1.03 0.00 0.00 54.13 56.44 3kke s LEU 318 Cb -0.17 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 3kke s LEU 318 CO 0.21 -0.60 0.20 0.42 0.23 0.00 0.00 176.35 176.81 3kke s THR 319 N -0.64 2.01 -0.15 5.49 -4.23 -1.26 -4.64 115.64 112.22 3kke s THR 319 Ca 0.53 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3kke s THR 319 Cb -0.40 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3kke s THR 319 CO 0.49 0.00 -0.19 -1.81 -0.54 0.00 0.00 174.62 172.56 3kke s ASP 320 N -3.98 2.97 0.08 3.99 1.01 -1.26 -2.02 116.67 117.47 3kke s ASP 320 Ca 0.35 -0.58 0.06 0.00 0.71 0.00 0.00 52.55 53.08 3kke s ASP 320 Cb 0.02 -1.37 -0.03 0.00 1.01 0.00 0.00 42.92 42.55 3kke s ASP 320 CO 0.20 0.03 -0.16 -0.89 0.21 0.00 0.00 175.17 174.55 3kke s THR 321 N 1.09 1.28 -0.12 -1.27 2.01 -0.34 -4.98 115.64 113.31 3kke s THR 321 Ca -0.01 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.61 3kke s THR 321 Cb -0.14 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3kke s THR 321 CO -0.07 -0.21 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.76 3kke s VAL 322 N -1.34 1.89 -0.76 3.82 1.01 -1.26 -1.28 120.40 122.47 3kke s VAL 322 Ca 0.01 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3kke s VAL 322 Cb -0.09 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3kke s VAL 322 CO 0.03 0.52 1.14 -0.69 0.00 0.00 0.00 175.10 176.10 3kke s VAL 323 N 0.75 4.12 -0.51 2.92 1.01 -0.00 -4.82 120.40 123.86 3kke s VAL 323 Ca -0.10 -0.28 0.23 0.00 0.00 0.00 0.00 61.98 61.83 3kke s VAL 323 Cb -0.16 -4.82 -0.14 0.00 0.00 0.00 0.00 36.38 31.26 3kke s VAL 323 CO 0.01 -1.66 0.94 0.35 0.00 0.00 0.00 175.10 174.74 3kke n THR 324 N 6.14 0.18 -4.84 3.92 -2.24 -1.26 -3.54 114.28 112.64 3kke n THR 324 Ca 0.06 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 3kke n THR 324 Cb 0.48 0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 3kke n THR 324 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kke s GLN 325 N -3.25 1.59 0.81 -0.78 -1.52 -1.26 -3.93 119.66 111.32 3kke s GLN 325 Ca 0.02 -0.62 -0.13 0.00 -1.95 0.00 0.00 55.36 52.68 3kke s GLN 325 Cb 0.14 -1.46 0.08 0.00 -0.22 0.00 0.00 33.01 31.55 3kke s GLN 325 CO 0.82 0.32 1.17 -2.14 -0.25 0.00 0.00 175.29 175.21 3kke s PRO 326 N -0.21 1.68 0.56 2.91 0.02 -1.26 -5.00 135.00 133.71 3kke s PRO 326 Ca 0.02 1.62 -0.15 0.00 0.02 0.00 0.00 61.00 62.52 3kke s PRO 326 Cb -0.09 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 3kke s PRO 326 CO 0.01 -2.15 1.01 0.95 -0.33 0.00 0.00 177.00 176.49 3kke s THR 327 N -2.34 4.42 -0.03 0.99 -4.23 -1.25 -4.64 115.64 108.56 3kke s THR 327 Ca 0.70 1.04 -0.37 0.00 -1.18 0.00 0.00 61.69 61.88 3kke s THR 327 Cb -0.26 -3.68 -0.15 0.00 1.34 0.00 0.00 72.50 69.75 3kke s THR 327 CO 0.52 -0.78 1.57 -2.65 -0.54 0.00 0.00 174.62 172.74 3kke n PRO 328 N -2.03 1.45 -3.56 3.99 -0.02 -1.26 -4.92 135.00 128.65 3kke n PRO 328 Ca 0.07 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 3kke n PRO 328 Cb 0.54 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 3kke n PRO 328 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kke s GLU 329 N 1.92 2.80 0.00 -0.52 2.12 -0.44 -4.90 118.70 119.69 3kke s GLU 329 Ca 0.89 -1.19 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 3kke s GLU 329 Cb -0.91 -3.82 -0.08 0.00 0.26 0.00 0.00 34.13 29.58 3kke s GLU 329 CO 0.51 -0.80 2.00 -1.17 -0.54 0.00 0.00 175.26 175.26 3kke s LEU 330 N 1.55 4.30 -0.42 2.70 2.96 -1.26 -1.34 118.68 127.17 3kke s LEU 330 Ca 0.03 2.57 -0.02 0.00 -0.22 0.00 0.00 54.13 56.48 3kke s LEU 330 Cb -0.21 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 43.07 3kke s LEU 330 CO 0.06 -1.18 0.21 -0.76 -1.32 0.00 0.00 176.35 173.36 3kke s LEU 331 N 4.99 5.19 0.00 -0.68 1.43 0.02 -4.99 118.68 124.64 3kke s LEU 331 Ca 0.90 -2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 51.56 3kke s LEU 331 Cb -0.41 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3kke s LEU 331 CO 0.41 -0.51 1.15 -0.69 0.23 0.00 0.00 176.35 176.94 3kke s VAL 332 N 0.97 4.29 0.00 -1.59 1.01 -1.26 -2.17 120.40 121.66 3kke s VAL 332 Ca 0.10 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.71 3kke s VAL 332 Cb -0.22 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3kke s VAL 332 CO -0.04 0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.67 3kke n ARG 333 N 4.41 1.19 0.00 2.72 5.12 -1.26 -4.96 116.66 123.88 3kke n ARG 333 Ca 0.09 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.14 3kke n ARG 333 Cb 0.47 0.00 0.34 0.00 -1.16 0.00 0.00 32.46 32.11 3kke n ARG 333 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kke n GLU 334 N 0.00 1.66 0.00 5.56 1.02 -0.49 -4.27 120.64 124.13 3kke n GLU 334 Ca 0.00 -1.15 0.12 0.00 -0.02 0.00 0.00 57.16 56.11 3kke n GLU 334 Cb 0.00 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.04 3kke n GLU 334 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kke n THR 335 N 0.33 0.00 -4.96 2.62 -2.24 -0.91 -4.18 114.28 104.94 3kke n THR 335 Ca 0.16 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3kke n THR 335 Cb 0.43 1.14 -0.16 0.00 -2.10 0.00 0.00 70.33 69.64 3kke n THR 335 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kke s THR 336 N -2.38 2.48 0.21 4.28 -4.23 -1.26 -1.77 115.64 112.98 3kke s THR 336 Ca 0.22 -0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 3kke s THR 336 Cb 0.19 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3kke s THR 336 CO 0.51 0.54 0.43 0.00 -0.54 0.00 0.00 174.62 175.56 3kke s ALA 337 N 0.42 -0.31 0.62 3.99 0.00 -1.26 -4.97 121.76 120.25 3kke s ALA 337 Ca -0.14 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 3kke s ALA 337 Cb -0.17 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 3kke s ALA 337 CO 0.06 -0.79 1.25 -2.30 0.00 0.00 0.00 175.76 173.99 3kke n PRO 338 N -0.33 1.20 0.00 0.00 -0.02 -1.26 -4.82 135.00 129.78 3kke n PRO 338 Ca -0.05 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 3kke n PRO 338 Cb 0.62 -2.48 0.86 0.00 -0.02 0.00 0.00 33.50 32.48 3kke n PRO 338 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13