#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kof s ASP 3 N 0.00 2.17 0.42 1.09 -4.77 -1.26 -1.63 116.67 112.70 3kof s ASP 3 Ca 0.00 -0.97 0.21 0.00 -3.30 0.00 0.00 52.55 48.49 3kof s ASP 3 Cb 0.00 -0.08 0.92 0.00 -1.09 0.00 0.00 42.92 42.68 3kof s ASP 3 CO 0.00 -0.22 1.85 0.11 0.70 0.00 0.00 175.17 177.61 3kof h LYS 4 N 2.85 0.00 0.02 2.11 1.57 -0.76 -1.26 116.57 121.10 3kof h LYS 4 Ca -0.38 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3kof h LYS 4 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kof h LYS 4 CO 0.60 0.28 -0.01 1.25 -0.57 0.00 0.00 179.45 181.00 3kof h LEU 5 N 0.00 -0.02 -0.65 2.94 5.85 -1.81 -0.66 115.31 120.96 3kof h LEU 5 Ca -0.00 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.35 3kof h LEU 5 Cb 0.69 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3kof h LEU 5 CO 0.04 0.42 0.36 0.74 -0.34 0.00 0.00 178.44 179.65 3kof h THR 6 N -0.47 0.97 -0.61 1.05 2.02 -1.85 -2.52 112.91 111.50 3kof h THR 6 Ca -0.00 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3kof h THR 6 Cb 0.45 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3kof h THR 6 CO 0.00 0.12 0.21 -1.28 0.37 0.00 0.00 175.52 174.95 3kof h SER 7 N 0.67 0.87 -0.77 4.18 0.87 -1.17 -2.85 113.55 115.36 3kof h SER 7 Ca 0.29 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3kof h SER 7 Cb 0.17 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 3kof h SER 7 CO -0.18 0.83 0.45 0.25 -0.53 0.00 0.00 176.83 177.65 3kof h LEU 8 N 0.87 0.68 -2.28 2.23 5.85 -0.78 -2.60 115.31 119.28 3kof h LEU 8 Ca 0.20 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3kof h LEU 8 Cb 0.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kof h LEU 8 CO -0.01 0.43 0.00 0.03 -0.34 0.00 0.00 178.44 178.55 3kof h ARG 9 N 0.81 0.00 0.00 1.25 3.08 -1.21 -0.73 114.38 117.59 3kof h ARG 9 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3kof h ARG 9 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3kof h ARG 9 CO -0.19 0.00 -0.22 1.96 -1.07 0.00 0.00 179.97 180.45 3kof h GLN 10 N 0.00 0.00 0.00 0.04 4.20 -1.53 -3.35 115.11 114.47 3kof h GLN 10 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3kof h GLN 10 Cb 0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3kof h GLN 10 CO 0.00 0.22 -1.61 0.66 -0.67 0.00 0.00 178.83 177.43 3kof n TYR 11 N -4.24 0.00 -4.25 2.96 4.01 -0.38 -5.05 117.16 110.21 3kof n TYR 11 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 3kof n TYR 11 Cb 0.28 -0.44 -0.15 0.00 -0.31 0.00 0.00 39.34 38.72 3kof n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kof s THR 12 N -2.21 0.54 -0.15 -0.72 2.01 -0.60 -4.14 115.64 110.37 3kof s THR 12 Ca -0.05 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 3kof s THR 12 Cb 0.03 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 3kof s THR 12 CO 0.36 0.16 1.23 -0.89 -0.69 0.00 0.00 174.62 174.78 3kof s THR 13 N -0.06 4.32 -0.10 -0.82 2.01 -0.46 -4.08 115.64 116.46 3kof s THR 13 Ca 0.01 1.61 -0.18 0.00 0.31 0.00 0.00 61.69 63.44 3kof s THR 13 Cb -0.04 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3kof s THR 13 CO -0.00 -0.11 0.48 -0.69 -0.69 0.00 0.00 174.62 173.60 3kof s VAL 14 N 3.21 5.16 -0.02 3.82 1.01 -1.26 -1.56 120.40 130.76 3kof s VAL 14 Ca 0.54 0.96 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3kof s VAL 14 Cb -0.22 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3kof s VAL 14 CO 0.15 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 3kof s VAL 15 N 0.43 1.10 -0.17 2.92 1.01 -0.37 -1.82 120.40 123.50 3kof s VAL 15 Ca 0.26 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3kof s VAL 15 Cb -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3kof s VAL 15 CO 0.11 0.32 0.30 0.00 0.00 0.00 0.00 175.10 175.83 3kof s ALA 16 N -0.14 3.58 -0.90 5.51 0.00 -0.93 -0.74 121.76 128.14 3kof s ALA 16 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 3kof s ALA 16 Cb -0.07 -2.43 0.23 0.00 0.00 0.00 0.00 23.12 20.85 3kof s ALA 16 CO 0.00 0.01 0.84 0.34 0.00 0.00 0.00 175.76 176.95 3kof s ASP 17 N 0.61 6.70 -0.21 0.00 2.15 -0.06 -0.98 116.67 124.88 3kof s ASP 17 Ca 0.16 -3.11 -0.31 0.00 0.43 0.00 0.00 52.55 49.73 3kof s ASP 17 Cb -0.13 -2.14 0.15 0.00 -0.30 0.00 0.00 42.92 40.50 3kof s ASP 17 CO 0.05 -0.42 1.18 0.28 -0.17 0.00 0.00 175.17 176.08 3kof s THR 18 N -0.48 0.00 -2.38 1.71 -1.32 -0.67 -4.30 115.64 108.19 3kof s THR 18 Ca 0.23 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.93 3kof s THR 18 Cb -0.11 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.31 3kof s THR 18 CO -0.08 0.00 1.48 0.61 -2.21 0.00 0.00 174.62 174.42 3kof n GLY 19 N 0.41 0.81 3.56 6.08 0.00 -1.26 -4.59 105.19 110.20 3kof n GLY 19 Ca -0.04 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3kof n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kof s ASP 20 N -1.56 6.46 0.53 1.61 2.15 -1.26 -4.90 116.67 119.70 3kof s ASP 20 Ca 0.34 0.04 0.20 0.00 0.43 0.00 0.00 52.55 53.57 3kof s ASP 20 Cb 0.19 -2.49 1.40 0.00 -0.30 0.00 0.00 42.92 41.73 3kof s ASP 20 CO 0.28 -1.23 2.15 0.16 -0.17 0.00 0.00 175.17 176.36 3kof h ILE 21 N 6.11 0.85 -0.92 4.11 3.07 -1.96 -1.70 117.51 127.06 3kof h ILE 21 Ca -0.25 -0.13 0.16 0.00 1.55 0.00 0.00 64.86 66.20 3kof h ILE 21 Cb 1.07 1.07 -0.08 0.00 -0.27 0.00 0.00 36.82 38.61 3kof h ILE 21 CO 1.10 0.03 0.59 0.00 -1.05 0.00 0.00 178.15 178.82 3kof h ALA 22 N 1.96 1.87 -0.07 0.16 0.00 -2.01 -1.42 119.26 119.76 3kof h ALA 22 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kof h ALA 22 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kof h ALA 22 CO 0.00 -0.15 -0.52 0.00 0.00 0.00 0.00 179.25 178.58 3kof h ALA 23 N 1.61 0.98 -0.61 0.00 0.00 -1.72 -2.20 119.26 117.32 3kof h ALA 23 Ca 0.48 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kof h ALA 23 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kof h ALA 23 CO -0.23 0.67 0.07 0.52 0.00 0.00 0.00 179.25 180.27 3kof h MET 24 N 0.16 1.03 -0.49 0.00 2.86 -1.33 0.37 114.93 117.53 3kof h MET 24 Ca 0.00 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.29 3kof h MET 24 Cb 0.98 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3kof h MET 24 CO 0.08 0.98 0.07 0.87 1.06 0.00 0.00 176.91 179.97 3kof h LYS 25 N 0.93 0.81 -0.21 1.72 1.57 -1.45 -0.56 116.57 119.38 3kof h LYS 25 Ca 0.18 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3kof h LYS 25 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3kof h LYS 25 CO 0.02 0.82 -0.04 1.25 -0.57 0.00 0.00 179.45 180.93 3kof h LEU 26 N 0.68 0.40 0.00 2.94 5.85 -0.89 -3.35 115.31 120.95 3kof h LEU 26 Ca 0.15 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3kof h LEU 26 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3kof h LEU 26 CO 0.01 0.66 -1.42 -1.22 -0.34 0.00 0.00 178.44 176.14 3kof n TYR 27 N -4.62 0.00 -3.80 1.25 4.01 0.07 -5.03 117.16 109.05 3kof n TYR 27 Ca -0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 3kof n TYR 27 Cb 0.27 -0.24 0.01 0.00 -0.31 0.00 0.00 39.34 39.08 3kof n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kof n GLN 28 N -1.83 -3.17 -1.18 -0.72 6.02 -0.22 -4.96 117.38 111.32 3kof n GLN 28 Ca -0.00 0.48 -0.30 0.00 -0.01 0.00 0.00 57.00 57.17 3kof n GLN 28 Cb 0.40 -4.62 0.12 0.00 1.02 0.00 0.00 30.24 27.16 3kof n GLN 28 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3kof s PRO 29 N -6.21 1.60 -0.04 -1.09 0.04 -1.26 -4.98 135.00 123.06 3kof s PRO 29 Ca 0.13 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 3kof s PRO 29 Cb -0.05 -1.83 -0.21 0.00 0.04 0.00 0.00 34.50 32.45 3kof s PRO 29 CO 0.86 -2.05 1.14 0.37 0.04 0.00 0.00 177.00 177.35 3kof h GLN 30 N -1.42 0.06 -5.33 4.56 5.75 -1.73 -3.40 115.11 113.60 3kof h GLN 30 Ca -0.47 -0.05 -0.58 0.00 -0.15 0.00 0.00 58.65 57.41 3kof h GLN 30 Cb 1.26 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.69 3kof h GLN 30 CO 0.52 0.69 -0.57 -0.51 -2.65 0.00 0.00 178.83 176.31 3kof s ASP 31 N -5.94 3.28 0.02 -0.69 1.01 -1.26 -0.22 116.67 112.87 3kof s ASP 31 Ca -0.16 -1.48 0.01 0.00 0.71 0.00 0.00 52.55 51.63 3kof s ASP 31 Cb 0.01 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.95 3kof s ASP 31 CO 0.70 -0.66 -0.05 0.00 0.21 0.00 0.00 175.17 175.37 3kof s ALA 32 N -3.01 0.36 -0.04 5.23 0.00 -0.23 -2.19 121.76 121.89 3kof s ALA 32 Ca 0.28 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3kof s ALA 32 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3kof s ALA 32 CO 0.14 -0.03 -0.23 0.95 0.00 0.00 0.00 175.76 176.59 3kof s THR 33 N -0.96 2.30 0.40 0.00 -4.23 -0.15 -1.33 115.64 111.66 3kof s THR 33 Ca -0.08 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3kof s THR 33 Cb -0.07 -1.83 -0.07 0.00 1.34 0.00 0.00 72.50 71.87 3kof s THR 33 CO -0.00 0.58 0.04 0.42 -0.54 0.00 0.00 174.62 175.12 3kof s THR 34 N -0.52 2.11 0.28 3.99 -4.23 -0.67 -1.67 115.64 114.92 3kof s THR 34 Ca 0.07 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 3kof s THR 34 Cb -0.11 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.76 3kof s THR 34 CO 0.00 -0.02 0.48 0.54 -0.54 0.00 0.00 174.62 175.08 3kof s ASN 35 N -3.75 0.17 0.48 3.99 2.20 -1.26 -4.53 114.94 112.25 3kof s ASN 35 Ca 0.36 -1.11 0.21 0.00 -0.94 0.00 0.00 52.86 51.39 3kof s ASN 35 Cb 0.08 0.61 1.23 0.00 -2.00 0.00 0.00 41.25 41.17 3kof s ASN 35 CO 0.19 -1.20 2.03 -0.65 -2.94 0.00 0.00 177.10 174.53 3kof h PRO 36 N 2.22 0.00 -0.26 3.55 0.11 -1.90 -1.02 132.00 134.70 3kof h PRO 36 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 3kof h PRO 36 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kof h PRO 36 CO 0.38 0.16 -0.13 1.03 -0.21 0.00 0.00 178.00 179.22 3kof h SER 37 N 0.00 0.56 0.35 -2.05 0.87 -1.93 -2.24 113.55 109.11 3kof h SER 37 Ca -0.00 -0.42 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 3kof h SER 37 Cb 0.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3kof h SER 37 CO 0.02 0.86 -0.43 -0.07 -0.53 0.00 0.00 176.83 176.68 3kof h LEU 38 N 0.27 0.11 -0.44 2.23 3.38 -1.68 -0.12 115.31 119.06 3kof h LEU 38 Ca 0.06 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3kof h LEU 38 Cb 0.65 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3kof h LEU 38 CO 0.04 0.53 -0.20 0.40 0.09 0.00 0.00 178.44 179.31 3kof h ILE 39 N 0.09 1.27 -0.21 1.22 1.08 -1.23 0.16 117.51 119.89 3kof h ILE 39 Ca 0.01 -1.34 -0.03 0.00 -0.39 0.00 0.00 64.86 63.11 3kof h ILE 39 Cb 0.80 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 3kof h ILE 39 CO 0.06 0.46 0.03 0.25 -0.69 0.00 0.00 178.15 178.25 3kof h LEU 40 N 0.73 0.34 -0.31 1.44 5.85 -0.94 0.26 115.31 122.69 3kof h LEU 40 Ca 0.10 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3kof h LEU 40 Cb 0.76 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3kof h LEU 40 CO 0.06 0.52 0.16 0.78 -0.34 0.00 0.00 178.44 179.62 3kof h ASN 41 N 0.14 0.24 -0.63 1.25 2.35 -1.01 -2.87 115.58 115.06 3kof h ASN 41 Ca 0.06 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3kof h ASN 41 Cb 0.33 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3kof h ASN 41 CO 0.01 0.18 0.11 0.00 -1.65 0.00 0.00 177.43 176.08 3kof h ALA 42 N 1.15 0.98 -0.02 -0.83 0.00 -0.47 -1.87 119.26 118.21 3kof h ALA 42 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kof h ALA 42 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kof h ALA 42 CO -0.08 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.89 3kof h ALA 43 N 1.12 1.19 -0.02 0.00 0.00 -0.30 -2.45 119.26 118.81 3kof h ALA 43 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kof h ALA 43 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kof h ALA 43 CO 0.01 -0.08 -0.23 1.04 0.00 0.00 0.00 179.25 179.99 3kof n GLN 44 N -3.21 1.42 -2.53 0.00 6.02 -0.70 -4.82 117.38 113.56 3kof n GLN 44 Ca -0.02 -1.04 -0.43 0.00 -0.01 0.00 0.00 57.00 55.50 3kof n GLN 44 Cb 0.14 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 3kof n GLN 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kof s ILE 45 N -2.30 4.43 0.31 5.09 1.01 -0.92 -4.95 121.20 123.86 3kof s ILE 45 Ca 0.26 1.73 0.07 0.00 0.00 0.00 0.00 60.65 62.71 3kof s ILE 45 Cb 0.19 -4.12 0.30 0.00 0.01 0.00 0.00 42.46 38.85 3kof s ILE 45 CO 0.46 -0.06 1.69 -0.65 0.00 0.00 0.00 174.94 176.38 3kof h PRO 46 N 7.58 0.40 0.00 2.79 0.11 -1.89 -0.39 132.00 140.59 3kof h PRO 46 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kof h PRO 46 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kof h PRO 46 CO 0.91 0.26 0.00 0.93 -0.21 0.00 0.00 178.00 179.90 3kof h GLU 47 N 0.41 0.00 -0.13 1.05 5.08 -1.95 -2.38 114.58 116.67 3kof h GLU 47 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 3kof h GLU 47 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kof h GLU 47 CO -0.54 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.13 3kof n TYR 48 N -2.83 0.15 -0.31 4.33 4.02 -0.16 -4.39 117.16 117.97 3kof n TYR 48 Ca -0.02 -0.08 0.07 0.00 -0.01 0.00 0.00 57.90 57.87 3kof n TYR 48 Cb 0.10 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.69 3kof n TYR 48 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3kof h ARG 49 N 2.60 0.90 -0.78 -0.72 9.65 -1.52 -0.07 114.38 124.44 3kof h ARG 49 Ca 0.00 -0.05 0.16 0.00 -1.10 0.00 0.00 59.98 58.99 3kof h ARG 49 Cb 0.56 -0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.84 3kof h ARG 49 CO 0.00 0.59 0.29 1.57 2.80 0.00 0.00 179.97 185.22 3kof h LYS 50 N 0.93 0.39 -0.44 0.20 2.10 -1.84 0.94 116.57 118.84 3kof h LYS 50 Ca 0.44 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.93 3kof h LYS 50 Cb 0.44 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 3kof h LYS 50 CO -0.20 0.26 -0.26 -0.07 -2.00 0.00 0.00 179.45 177.17 3kof h LEU 51 N 0.40 0.96 0.05 7.07 3.38 -1.33 0.20 115.31 126.03 3kof h LEU 51 Ca 0.44 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kof h LEU 51 Cb 0.73 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kof h LEU 51 CO -0.45 1.15 -0.03 0.40 0.09 0.00 0.00 178.44 179.61 3kof h ILE 52 N 0.79 1.07 -0.65 1.22 2.04 -1.14 -1.03 117.51 119.81 3kof h ILE 52 Ca 0.10 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3kof h ILE 52 Cb 0.82 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3kof h ILE 52 CO 0.07 0.10 0.40 0.44 0.00 0.00 0.00 178.15 179.16 3kof h ASP 53 N -0.25 0.78 -0.24 1.72 3.32 -0.65 0.43 116.42 121.53 3kof h ASP 53 Ca -0.01 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3kof h ASP 53 Cb 0.22 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3kof h ASP 53 CO 0.01 0.60 0.08 0.44 -1.72 0.00 0.00 179.24 178.66 3kof h ASP 54 N 0.88 0.09 -0.33 6.45 3.32 -0.58 0.19 116.42 126.44 3kof h ASP 54 Ca 0.23 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.36 3kof h ASP 54 Cb -0.04 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3kof h ASP 54 CO -0.04 0.08 0.02 0.00 -1.72 0.00 0.00 179.24 177.58 3kof h ALA 55 N 1.15 0.31 -0.02 3.45 0.00 -0.43 0.12 119.26 123.85 3kof h ALA 55 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kof h ALA 55 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kof h ALA 55 CO -0.11 -0.39 0.00 0.28 0.00 0.00 0.00 179.25 179.03 3kof h VAL 56 N 0.11 1.23 -0.65 0.00 2.07 -0.75 0.19 116.25 118.46 3kof h VAL 56 Ca 0.16 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.08 3kof h VAL 56 Cb 0.20 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3kof h VAL 56 CO -0.25 0.18 0.28 0.00 0.02 0.00 0.00 177.57 177.80 3kof h ALA 57 N 0.72 0.86 -0.53 1.67 0.00 -0.80 0.22 119.26 121.40 3kof h ALA 57 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kof h ALA 57 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kof h ALA 57 CO 0.00 -0.13 0.30 2.35 0.00 0.00 0.00 179.25 181.76 3kof h TRP 58 N 0.49 0.73 -0.34 0.00 7.01 -0.57 -2.74 115.95 120.53 3kof h TRP 58 Ca 0.32 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.32 3kof h TRP 58 Cb 0.37 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3kof h TRP 58 CO -0.14 0.53 0.21 0.00 -2.79 0.00 0.00 178.44 176.25 3kof h ALA 59 N 1.13 0.42 -0.13 2.65 0.00 0.83 -2.42 119.26 121.74 3kof h ALA 59 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kof h ALA 59 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kof h ALA 59 CO -0.03 -0.14 0.11 0.87 0.00 0.00 0.00 179.25 180.05 3kof h LYS 60 N 0.42 0.00 -0.89 0.00 1.57 -0.56 -1.36 116.57 115.74 3kof h LYS 60 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 3kof h LYS 60 Cb -0.02 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.19 3kof h LYS 60 CO -0.05 0.00 0.21 1.04 -0.57 0.00 0.00 179.45 180.08 3kof n GLN 61 N -4.26 2.38 -0.01 3.15 6.02 -0.91 -4.18 117.38 119.57 3kof n GLN 61 Ca 0.00 -1.73 -0.02 0.00 -0.01 0.00 0.00 57.00 55.24 3kof n GLN 61 Cb 0.22 -1.79 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 3kof n GLN 61 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kof n GLN 62 N -0.08 0.04 -4.20 -1.09 1.13 -0.52 -5.06 117.38 107.60 3kof n GLN 62 Ca 0.26 0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.21 3kof n GLN 62 Cb 1.00 -0.56 -0.10 0.00 0.11 0.00 0.00 30.24 30.68 3kof n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kof s SER 63 N -5.19 0.91 -0.04 1.08 1.04 -1.20 -5.02 113.70 105.27 3kof s SER 63 Ca -0.03 -1.17 0.21 0.00 0.48 0.00 0.00 55.95 55.44 3kof s SER 63 Cb 0.01 0.17 0.67 0.00 0.10 0.00 0.00 66.02 66.97 3kof s SER 63 CO 0.03 -0.62 1.57 0.59 0.98 0.00 0.00 173.24 175.79 3kof n ASN 64 N -0.18 4.22 -4.59 7.02 3.02 -1.26 -4.67 115.26 118.82 3kof n ASN 64 Ca -0.07 -2.16 -0.36 0.00 -0.03 0.00 0.00 54.58 51.97 3kof n ASN 64 Cb 0.63 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3kof n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kof s ASP 65 N -0.98 5.69 0.12 6.41 2.15 -1.26 -5.01 116.67 123.80 3kof s ASP 65 Ca 0.49 0.01 -0.19 0.00 0.43 0.00 0.00 52.55 53.30 3kof s ASP 65 Cb 0.28 -2.01 -0.05 0.00 -0.30 0.00 0.00 42.92 40.83 3kof s ASP 65 CO 0.30 0.07 1.74 -0.09 -0.17 0.00 0.00 175.17 177.02 3kof h ARG 66 N 7.47 0.35 -0.90 4.34 2.43 -1.99 -0.43 114.38 125.65 3kof h ARG 66 Ca -0.37 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3kof h ARG 66 Cb 1.17 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 3kof h ARG 66 CO 0.64 0.28 0.59 0.00 -1.51 0.00 0.00 179.97 179.98 3kof h ALA 67 N 1.05 1.16 -0.37 2.80 0.00 -2.00 -1.72 119.26 120.18 3kof h ALA 67 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3kof h ALA 67 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kof h ALA 67 CO -0.02 0.51 -0.33 0.37 0.00 0.00 0.00 179.25 179.78 3kof h GLN 68 N 1.19 0.83 -0.47 0.00 5.75 -1.92 -2.91 115.11 117.59 3kof h GLN 68 Ca 0.34 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3kof h GLN 68 Cb -0.09 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3kof h GLN 68 CO -0.09 1.04 0.26 1.96 -2.65 0.00 0.00 178.83 179.35 3kof h GLN 69 N 0.70 0.65 -0.83 1.69 4.20 -0.69 0.31 115.11 121.14 3kof h GLN 69 Ca 0.07 -0.07 0.15 0.00 0.06 0.00 0.00 58.65 58.86 3kof h GLN 69 Cb 0.89 -0.13 -0.10 0.00 0.30 0.00 0.00 27.48 28.44 3kof h GLN 69 CO 0.08 0.50 0.40 0.82 -0.67 0.00 0.00 178.83 179.96 3kof h ILE 70 N 0.61 0.69 0.30 2.54 2.04 -1.26 0.15 117.51 122.58 3kof h ILE 70 Ca 0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3kof h ILE 70 Cb 0.04 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3kof h ILE 70 CO -0.03 0.10 -0.14 0.58 0.00 0.00 0.00 178.15 178.66 3kof h VAL 71 N 0.56 0.66 -0.75 1.67 2.07 -1.16 -2.03 116.25 117.26 3kof h VAL 71 Ca 0.46 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.38 3kof h VAL 71 Cb 0.67 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 3kof h VAL 71 CO -0.38 0.13 0.38 0.44 0.02 0.00 0.00 177.57 178.15 3kof h ASP 72 N -0.82 0.49 -0.35 0.57 3.32 -0.78 -0.62 116.42 118.23 3kof h ASP 72 Ca -0.04 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 3kof h ASP 72 Cb 0.52 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kof h ASP 72 CO 0.07 0.26 -0.40 0.00 -1.72 0.00 0.00 179.24 177.45 3kof h ALA 73 N 1.46 0.52 -0.25 3.45 0.00 -0.73 -0.30 119.26 123.40 3kof h ALA 73 Ca 0.38 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kof h ALA 73 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kof h ALA 73 CO -0.29 0.63 -0.21 1.79 0.00 0.00 0.00 179.25 181.17 3kof h THR 74 N 0.68 1.31 -0.35 0.00 1.35 -1.09 0.47 112.91 115.28 3kof h THR 74 Ca 0.05 -1.35 0.03 0.00 -0.55 0.00 0.00 66.41 64.58 3kof h THR 74 Cb 0.99 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 3kof h THR 74 CO 0.10 0.42 0.17 0.44 -0.25 0.00 0.00 175.52 176.40 3kof h ASP 75 N 0.30 0.24 0.01 5.36 3.32 -1.08 -2.77 116.42 121.80 3kof h ASP 75 Ca 0.05 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3kof h ASP 75 Cb 0.75 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3kof h ASP 75 CO 0.05 0.18 -0.35 0.50 -1.72 0.00 0.00 179.24 177.91 3kof h LYS 76 N 0.35 0.46 -0.20 3.56 1.63 -0.88 -2.16 116.57 119.34 3kof h LYS 76 Ca 0.15 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3kof h LYS 76 Cb 0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3kof h LYS 76 CO -0.11 0.75 0.10 1.25 -3.45 0.00 0.00 179.45 177.99 3kof h LEU 77 N 0.40 0.26 -1.11 5.20 5.85 -0.80 0.45 115.31 125.56 3kof h LEU 77 Ca 0.04 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3kof h LEU 77 Cb 0.80 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3kof h LEU 77 CO 0.06 0.30 0.29 0.00 -0.34 0.00 0.00 178.44 178.76 3kof h ALA 78 N 0.97 1.31 -0.35 1.25 0.00 -1.25 -0.62 119.26 120.56 3kof h ALA 78 Ca 0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3kof h ALA 78 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kof h ALA 78 CO -0.01 0.53 -0.40 0.28 0.00 0.00 0.00 179.25 179.65 3kof h VAL 79 N 0.91 1.28 -0.75 0.00 2.07 -1.22 -2.05 116.25 116.49 3kof h VAL 79 Ca 0.22 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.21 3kof h VAL 79 Cb 0.12 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3kof h VAL 79 CO -0.03 0.52 0.46 0.78 0.02 0.00 0.00 177.57 179.32 3kof h ASN 80 N 0.69 0.72 -0.46 0.57 2.35 0.54 0.69 115.58 120.68 3kof h ASN 80 Ca 0.05 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3kof h ASN 80 Cb 1.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 3kof h ASN 80 CO 0.10 0.48 0.24 0.40 -1.65 0.00 0.00 177.43 176.99 3kof h ILE 81 N 0.86 1.17 -0.77 2.81 2.04 -1.10 -2.45 117.51 120.07 3kof h ILE 81 Ca 0.32 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3kof h ILE 81 Cb 0.12 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3kof h ILE 81 CO -0.15 0.18 0.49 1.23 0.00 0.00 0.00 178.15 179.91 3kof h GLY 82 N 0.60 1.11 1.01 5.37 0.00 -0.67 -1.63 103.07 108.85 3kof h GLY 82 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3kof h GLY 82 CO -0.02 0.33 0.54 1.41 0.00 0.00 0.00 176.54 178.80 3kof h LEU 83 N 0.97 1.02 -0.72 3.11 3.38 -0.67 0.11 115.31 122.51 3kof h LEU 83 Ca 0.30 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3kof h LEU 83 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3kof h LEU 83 CO -0.10 0.77 0.20 -0.33 0.09 0.00 0.00 178.44 179.07 3kof h GLU 84 N 1.19 1.13 -0.51 1.13 4.39 -0.98 -2.32 114.58 118.61 3kof h GLU 84 Ca 0.31 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 3kof h GLU 84 Cb -0.08 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 3kof h GLU 84 CO -0.06 0.98 -0.08 0.82 -1.16 0.00 0.00 179.01 179.51 3kof h ILE 85 N 1.07 1.26 0.00 3.13 2.04 -0.96 -3.01 117.51 121.05 3kof h ILE 85 Ca 0.23 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3kof h ILE 85 Cb 0.34 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3kof h ILE 85 CO -0.00 0.42 -0.18 -0.07 0.00 0.00 0.00 178.15 178.32 3kof h LEU 86 N 0.84 0.00 -2.08 1.44 3.38 -0.31 0.21 115.31 118.78 3kof h LEU 86 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kof h LEU 86 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kof h LEU 86 CO 0.04 0.18 -0.08 0.11 0.09 0.00 0.00 178.44 178.78 3kof h LYS 87 N 0.00 0.00 -0.02 1.13 1.57 -1.29 -3.24 116.57 114.72 3kof h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kof h LYS 87 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3kof h LYS 87 CO 0.02 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.26 3kof n LEU 88 N -3.54 1.56 -3.97 2.94 4.77 -0.01 -4.98 117.00 113.77 3kof n LEU 88 Ca -0.02 -1.07 -0.18 0.00 -0.03 0.00 0.00 56.01 54.71 3kof n LEU 88 Cb 0.20 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 3kof n LEU 88 CO 0.28 0.33 -0.42 0.68 -1.33 0.00 0.00 177.39 176.94 3kof s VAL 89 N -0.53 0.56 -0.85 4.08 -7.23 -0.76 -4.78 120.40 110.89 3kof s VAL 89 Ca 0.07 -0.27 0.27 0.00 -1.81 0.00 0.00 61.98 60.24 3kof s VAL 89 Cb 0.05 -0.49 0.23 0.00 0.56 0.00 0.00 36.38 36.72 3kof s VAL 89 CO 0.07 0.17 1.77 -0.81 -0.31 0.00 0.00 175.10 176.00 3kof n PRO 90 N 3.12 0.15 0.00 4.82 -0.04 -1.22 -4.72 135.00 137.11 3kof n PRO 90 Ca -0.16 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3kof n PRO 90 Cb 0.56 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3kof n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kof n GLY 91 N 1.40 1.71 3.88 0.55 0.00 0.69 -5.05 105.19 108.37 3kof n GLY 91 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3kof n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kof s ARG 92 N 4.31 3.75 -0.14 1.61 1.81 -1.26 -4.79 118.95 124.24 3kof s ARG 92 Ca 0.00 0.34 -0.01 0.00 -1.72 0.00 0.00 55.73 54.34 3kof s ARG 92 Cb 0.00 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 3kof s ARG 92 CO 0.00 0.06 -0.10 -1.50 -0.68 0.00 0.00 175.30 173.08 3kof s ILE 93 N -2.25 3.34 -0.23 1.52 1.10 -0.66 -1.06 121.20 122.96 3kof s ILE 93 Ca 0.49 -0.56 -0.15 0.00 -0.51 0.00 0.00 60.65 59.92 3kof s ILE 93 Cb -0.10 -2.43 -0.04 0.00 0.15 0.00 0.00 42.46 40.04 3kof s ILE 93 CO 0.30 0.52 0.38 -0.44 -2.11 0.00 0.00 174.94 173.58 3kof s SER 94 N 0.33 6.36 -0.10 4.50 0.01 -0.44 -1.09 113.70 123.27 3kof s SER 94 Ca -0.08 0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.62 3kof s SER 94 Cb -0.15 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.87 3kof s SER 94 CO 0.05 -0.10 -0.15 -0.89 0.41 0.00 0.00 173.24 172.55 3kof s THR 95 N 1.54 1.46 -0.10 1.44 2.01 -0.45 -1.67 115.64 119.86 3kof s THR 95 Ca 0.17 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 3kof s THR 95 Cb -0.15 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 3kof s THR 95 CO 0.08 0.43 0.26 -0.70 -0.69 0.00 0.00 174.62 174.00 3kof s GLU 96 N 0.90 3.86 0.69 4.92 2.12 -1.26 -0.96 118.70 128.97 3kof s GLU 96 Ca -0.09 0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 3kof s GLU 96 Cb -0.15 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.97 3kof s GLU 96 CO -0.00 0.57 1.13 0.14 -0.54 0.00 0.00 175.26 176.55 3kof s VAL 97 N -0.52 3.06 -0.38 3.70 -7.23 -0.74 -4.85 120.40 113.44 3kof s VAL 97 Ca 0.17 0.48 -0.42 0.00 -1.81 0.00 0.00 61.98 60.40 3kof s VAL 97 Cb -0.13 -2.99 -0.17 0.00 0.56 0.00 0.00 36.38 33.64 3kof s VAL 97 CO 0.06 -0.31 1.81 -0.67 -0.31 0.00 0.00 175.10 175.68 3kof n ASP 98 N -2.59 1.84 0.11 4.85 -0.08 -1.26 -4.83 116.55 114.58 3kof n ASP 98 Ca 0.11 0.98 0.11 0.00 -1.51 0.00 0.00 54.79 54.48 3kof n ASP 98 Cb 0.52 -1.05 0.46 0.00 2.34 0.00 0.00 41.12 43.38 3kof n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kof n ALA 99 N 5.82 1.67 0.31 -1.67 0.00 -1.26 -1.69 120.51 123.69 3kof n ALA 99 Ca 0.33 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.95 3kof n ALA 99 Cb 0.07 -1.36 0.55 0.00 0.00 0.00 0.00 19.45 18.71 3kof n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kof h ARG 100 N 0.00 0.00 -0.20 0.00 3.08 -1.88 -2.26 114.38 113.12 3kof h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kof h ARG 100 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kof h ARG 100 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3kof n LEU 101 N -2.31 1.57 0.22 3.04 4.77 -0.68 -4.63 117.00 118.98 3kof n LEU 101 Ca 0.01 -0.70 0.06 0.00 -0.03 0.00 0.00 56.01 55.35 3kof n LEU 101 Cb 0.16 -0.13 0.51 0.00 -2.33 0.00 0.00 43.42 41.63 3kof n LEU 101 CO 0.17 0.35 0.88 0.28 -1.33 0.00 0.00 177.39 177.74 3kof h SER 102 N 1.96 0.00 -0.54 -1.43 0.02 -1.60 -0.73 113.55 111.24 3kof h SER 102 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kof h SER 102 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3kof h SER 102 CO 0.00 0.21 0.00 -1.22 -1.14 0.00 0.00 176.83 174.68 3kof n TYR 103 N -4.19 1.87 -3.83 3.45 4.01 -1.26 -3.85 117.16 113.36 3kof n TYR 103 Ca -0.02 -0.74 -0.30 0.00 -0.16 0.00 0.00 57.90 56.68 3kof n TYR 103 Cb 0.27 -0.46 -0.15 0.00 -0.31 0.00 0.00 39.34 38.69 3kof n TYR 103 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kof s ASP 104 N -0.97 4.02 0.07 7.72 -1.08 -0.28 -4.92 116.67 121.23 3kof s ASP 104 Ca 0.53 -1.56 -0.27 0.00 -0.52 0.00 0.00 52.55 50.73 3kof s ASP 104 Cb 0.40 -1.04 -0.17 0.00 -1.46 0.00 0.00 42.92 40.65 3kof s ASP 104 CO 0.16 -0.36 1.62 0.74 0.52 0.00 0.00 175.17 177.84 3kof h THR 105 N 6.55 0.75 -0.40 1.71 2.02 -1.81 -1.84 112.91 119.88 3kof h THR 105 Ca -0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3kof h THR 105 Cb 1.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3kof h THR 105 CO 0.45 0.03 0.17 -0.33 0.37 0.00 0.00 175.52 176.21 3kof h GLU 106 N -0.44 0.59 -0.48 6.66 4.39 -1.95 0.30 114.58 123.66 3kof h GLU 106 Ca -0.04 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3kof h GLU 106 Cb 0.33 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3kof h GLU 106 CO 0.06 0.54 0.19 0.00 -1.16 0.00 0.00 179.01 178.64 3kof h ALA 107 N 1.02 1.43 -0.24 3.43 0.00 -1.91 -0.94 119.26 122.05 3kof h ALA 107 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kof h ALA 107 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kof h ALA 107 CO -0.01 0.44 -0.24 0.77 0.00 0.00 0.00 179.25 180.20 3kof h SER 108 N 0.68 0.63 -0.26 0.00 0.02 -0.85 -0.37 113.55 113.41 3kof h SER 108 Ca 0.17 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 3kof h SER 108 Cb 0.15 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3kof h SER 108 CO -0.02 0.98 0.04 0.40 -1.14 0.00 0.00 176.83 177.09 3kof h ILE 109 N 0.29 0.85 -0.60 3.27 2.04 -0.68 -0.73 117.51 121.96 3kof h ILE 109 Ca 0.04 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3kof h ILE 109 Cb 0.80 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3kof h ILE 109 CO 0.06 0.02 0.39 0.00 0.00 0.00 0.00 178.15 178.63 3kof h ALA 110 N 1.20 0.77 -0.47 1.87 0.00 -1.06 -0.86 119.26 120.71 3kof h ALA 110 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kof h ALA 110 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kof h ALA 110 CO -0.18 0.18 -0.03 -0.22 0.00 0.00 0.00 179.25 179.00 3kof h LYS 111 N 0.80 0.85 -0.56 0.00 1.63 -0.85 -0.42 116.57 118.02 3kof h LYS 111 Ca 0.23 -0.29 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3kof h LYS 111 Cb -0.07 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3kof h LYS 111 CO -0.06 0.91 0.34 0.00 -3.45 0.00 0.00 179.45 177.19 3kof h ALA 112 N 0.91 0.72 -0.72 5.00 0.00 -0.95 -0.90 119.26 123.32 3kof h ALA 112 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kof h ALA 112 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kof h ALA 112 CO 0.03 0.05 0.42 0.87 0.00 0.00 0.00 179.25 180.62 3kof h LYS 113 N 0.66 0.98 -0.30 0.00 1.57 -0.84 -1.32 116.57 117.32 3kof h LYS 113 Ca 0.23 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3kof h LYS 113 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kof h LYS 113 CO -0.10 0.70 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.36 3kof h ARG 114 N 0.99 0.56 -0.50 3.15 9.65 -0.50 -0.93 114.38 126.80 3kof h ARG 114 Ca 0.26 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3kof h ARG 114 Cb -0.01 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 3kof h ARG 114 CO -0.05 0.72 -0.01 -0.07 2.80 0.00 0.00 179.97 183.36 3kof h LEU 115 N 0.34 0.81 -0.77 3.80 3.38 -1.02 -1.68 115.31 120.17 3kof h LEU 115 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kof h LEU 115 Cb 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3kof h LEU 115 CO 0.02 0.88 0.38 0.40 0.09 0.00 0.00 178.44 180.22 3kof h ILE 116 N 0.78 1.24 -0.35 1.22 1.08 -1.05 -1.20 117.51 119.24 3kof h ILE 116 Ca 0.15 -0.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3kof h ILE 116 Cb 0.48 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3kof h ILE 116 CO 0.02 0.28 0.22 0.50 -0.69 0.00 0.00 178.15 178.48 3kof h LYS 117 N 1.08 0.43 -0.47 2.37 1.63 -0.78 0.26 116.57 121.10 3kof h LYS 117 Ca 0.27 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3kof h LYS 117 Cb 0.10 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3kof h LYS 117 CO -0.04 0.28 0.28 -0.07 -3.45 0.00 0.00 179.45 176.45 3kof h LEU 118 N 0.44 0.56 -0.11 5.20 4.07 -1.02 0.14 115.31 124.59 3kof h LEU 118 Ca 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 3kof h LEU 118 Cb -0.02 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 3kof h LEU 118 CO -0.05 0.46 0.04 1.88 -1.08 0.00 0.00 178.44 179.70 3kof h TYR 119 N 0.62 0.18 -0.97 1.13 0.05 -0.73 -2.68 116.97 114.56 3kof h TYR 119 Ca 0.17 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.03 3kof h TYR 119 Cb 0.01 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 3kof h TYR 119 CO -0.03 0.29 0.62 -0.91 -1.05 0.00 0.00 178.16 177.08 3kof h ASN 120 N 0.02 0.92 0.25 3.88 2.35 -0.28 -1.91 115.58 120.81 3kof h ASN 120 Ca 0.04 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3kof h ASN 120 Cb 0.19 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3kof h ASN 120 CO -0.00 0.53 -0.11 0.44 -1.65 0.00 0.00 177.43 176.64 3kof h ASP 121 N 1.01 0.00 -0.49 5.81 3.32 -0.41 -1.00 116.42 124.67 3kof h ASP 121 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3kof h ASP 121 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kof h ASP 121 CO -0.22 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.41 3kof n ALA 122 N -2.34 2.42 -0.71 3.45 0.00 -0.77 -4.95 120.51 117.61 3kof n ALA 122 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3kof n ALA 122 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3kof n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 123 N 1.31 0.57 3.66 0.00 0.00 -0.38 -5.07 105.19 105.28 3kof n GLY 123 Ca 0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3kof n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kof s ILE 124 N -2.00 5.03 0.64 -0.61 -1.09 -0.86 -5.00 121.20 117.31 3kof s ILE 124 Ca 0.00 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.36 3kof s ILE 124 Cb 0.00 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 3kof s ILE 124 CO 0.00 0.44 1.04 -0.44 -1.23 0.00 0.00 174.94 174.75 3kof s SER 125 N 0.50 5.86 0.59 3.58 0.01 -1.26 -3.35 113.70 119.63 3kof s SER 125 Ca 0.05 1.54 0.31 0.00 1.31 0.00 0.00 55.95 59.16 3kof s SER 125 Cb -0.12 -2.49 1.85 0.00 0.21 0.00 0.00 66.02 65.47 3kof s SER 125 CO 0.00 -1.12 2.26 0.78 0.41 0.00 0.00 173.24 175.57 3kof h ASN 126 N -0.35 0.00 0.00 2.44 4.21 -1.93 -2.19 115.58 117.76 3kof h ASN 126 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3kof h ASN 126 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3kof h ASN 126 CO 0.59 0.01 0.00 -0.90 -1.29 0.00 0.00 177.43 175.84 3kof n ASP 127 N -3.79 0.00 -0.53 5.81 5.68 -1.26 -1.93 116.55 120.53 3kof n ASP 127 Ca -0.03 -0.70 0.06 0.00 -0.50 0.00 0.00 54.79 53.62 3kof n ASP 127 Cb 0.09 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.16 3kof n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kof n ARG 128 N -1.00 1.49 -4.97 0.11 1.74 -0.82 -4.81 116.66 108.40 3kof n ARG 128 Ca 0.16 -1.53 -0.27 0.00 -0.77 0.00 0.00 57.85 55.45 3kof n ARG 128 Cb 0.08 -1.24 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 3kof n ARG 128 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kof s ILE 129 N -0.96 1.60 -0.17 0.55 1.01 -0.81 -1.66 121.20 120.76 3kof s ILE 129 Ca 0.17 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 3kof s ILE 129 Cb 0.10 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.22 3kof s ILE 129 CO 0.15 0.46 -0.14 -0.76 0.00 0.00 0.00 174.94 174.64 3kof s LEU 130 N -0.21 2.51 -0.19 2.97 1.43 -0.25 -4.43 118.68 120.51 3kof s LEU 130 Ca 0.01 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3kof s LEU 130 Cb -0.10 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3kof s LEU 130 CO 0.01 0.06 0.67 -0.63 0.23 0.00 0.00 176.35 176.69 3kof s ILE 131 N 0.99 4.99 -0.16 -0.59 -1.09 -0.50 -1.35 121.20 123.50 3kof s ILE 131 Ca -0.02 1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 59.51 3kof s ILE 131 Cb -0.15 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3kof s ILE 131 CO -0.03 0.10 0.45 -0.75 -1.23 0.00 0.00 174.94 173.49 3kof s LYS 132 N 1.94 4.26 -0.00 2.79 2.20 -0.13 -0.95 119.74 129.84 3kof s LYS 132 Ca 0.31 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 3kof s LYS 132 Cb -0.16 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3kof s LYS 132 CO 0.11 0.04 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.51 3kof s LEU 133 N 1.03 2.05 0.40 5.43 1.02 -0.75 -1.80 118.68 126.06 3kof s LEU 133 Ca 0.23 -0.26 -0.27 0.00 0.02 0.00 0.00 54.13 53.85 3kof s LEU 133 Cb -0.15 -0.60 -0.10 0.00 0.02 0.00 0.00 46.19 45.36 3kof s LEU 133 CO 0.09 0.12 1.44 0.00 0.02 0.00 0.00 176.35 178.02 3kof n ALA 134 N 2.62 2.09 -1.23 4.21 0.00 -1.26 -1.44 120.51 125.49 3kof n ALA 134 Ca -0.15 0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 3kof n ALA 134 Cb 0.56 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 3kof n ALA 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kof n SER 135 N 0.27 6.07 -4.80 0.00 7.64 -0.59 -4.26 113.62 117.95 3kof n SER 135 Ca 0.03 -2.95 -0.29 0.00 1.01 0.00 0.00 58.87 56.67 3kof n SER 135 Cb 0.39 -1.26 0.11 0.00 -1.01 0.00 0.00 64.21 62.45 3kof n SER 135 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kof s THR 136 N -1.22 2.47 0.26 0.44 -4.23 -1.26 -4.84 115.64 107.25 3kof s THR 136 Ca 0.55 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.19 3kof s THR 136 Cb 0.33 -2.91 0.24 0.00 1.34 0.00 0.00 72.50 71.50 3kof s THR 136 CO -0.12 -0.20 1.82 -0.25 -0.54 0.00 0.00 174.62 175.33 3kof h TRP 137 N -1.29 0.98 -0.65 3.99 2.91 -1.90 -0.81 115.95 119.17 3kof h TRP 137 Ca -0.49 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.48 3kof h TRP 137 Cb 1.30 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 29.62 3kof h TRP 137 CO 0.37 0.40 0.10 1.96 -1.03 0.00 0.00 178.44 180.23 3kof h GLN 138 N 0.88 1.07 -0.16 2.65 7.50 -1.91 -0.28 115.11 124.85 3kof h GLN 138 Ca 0.44 -0.28 -0.13 0.00 0.50 0.00 0.00 58.65 59.18 3kof h GLN 138 Cb 0.41 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 3kof h GLN 138 CO -0.25 0.98 -0.45 0.78 -1.50 0.00 0.00 178.83 178.39 3kof h GLY 139 N 1.04 0.44 0.98 3.46 0.00 -1.56 -1.49 103.07 105.94 3kof h GLY 139 Ca 0.20 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3kof h GLY 139 CO 0.01 0.41 -0.13 -2.22 0.00 0.00 0.00 176.54 174.61 3kof h ILE 140 N 0.33 1.28 -0.75 2.60 2.04 -0.81 -0.78 117.51 121.42 3kof h ILE 140 Ca 0.02 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 3kof h ILE 140 Cb 0.92 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3kof h ILE 140 CO 0.08 0.41 0.29 0.03 0.00 0.00 0.00 178.15 178.96 3kof h ARG 141 N 0.55 1.12 -0.36 2.37 2.47 -1.03 -0.58 114.38 118.92 3kof h ARG 141 Ca 0.09 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3kof h ARG 141 Cb 0.66 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 3kof h ARG 141 CO 0.05 0.91 0.20 0.00 0.56 0.00 0.00 179.97 181.69 3kof h ALA 142 N 1.23 0.45 -0.56 0.04 0.00 -1.09 -2.82 119.26 116.52 3kof h ALA 142 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kof h ALA 142 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kof h ALA 142 CO -0.02 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.55 3kof h ALA 143 N 1.07 0.71 -0.55 0.00 0.00 -0.81 0.06 119.26 119.74 3kof h ALA 143 Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kof h ALA 143 Cb 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3kof h ALA 143 CO -0.02 0.17 0.21 1.49 0.00 0.00 0.00 179.25 181.10 3kof h GLU 144 N 0.76 0.39 -0.25 0.00 4.81 -0.97 -0.68 114.58 118.64 3kof h GLU 144 Ca 0.20 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3kof h GLU 144 Cb -0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3kof h GLU 144 CO -0.04 0.26 0.02 0.37 -0.73 0.00 0.00 179.01 178.89 3kof h GLN 145 N 0.41 0.42 -0.68 1.92 4.15 -1.24 -3.05 115.11 117.04 3kof h GLN 145 Ca 0.27 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.61 3kof h GLN 145 Cb 0.29 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 3kof h GLN 145 CO -0.26 0.58 0.41 -0.07 -1.93 0.00 0.00 178.83 177.55 3kof h LEU 146 N 0.21 0.64 -1.09 -2.39 3.38 -0.43 -1.67 115.31 113.97 3kof h LEU 146 Ca 0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3kof h LEU 146 Cb 0.37 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3kof h LEU 146 CO 0.01 0.43 0.62 -0.33 0.09 0.00 0.00 178.44 179.25 3kof h GLU 147 N 0.77 1.11 0.00 1.13 4.39 -0.80 0.44 114.58 121.62 3kof h GLU 147 Ca 0.29 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 3kof h GLU 147 Cb 0.10 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3kof h GLU 147 CO -0.14 0.74 -0.08 0.87 -1.16 0.00 0.00 179.01 179.24 3kof h LYS 148 N 1.15 0.00 -0.64 2.33 1.57 -1.20 -1.08 116.57 118.70 3kof h LYS 148 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kof h LYS 148 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kof h LYS 148 CO -0.13 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.22 3kof n GLU 149 N -3.41 4.19 -1.32 3.15 1.02 -0.20 -4.93 120.64 119.14 3kof n GLU 149 Ca -0.01 -2.99 -0.04 0.00 -0.02 0.00 0.00 57.16 54.10 3kof n GLU 149 Cb 0.23 -2.04 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 3kof n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kof n GLY 150 N 0.97 0.57 3.31 0.62 0.00 -0.41 -5.03 105.19 105.22 3kof n GLY 150 Ca 0.27 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 3kof n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kof s ILE 151 N -2.15 3.50 0.11 -0.61 1.01 -0.03 -4.91 121.20 118.12 3kof s ILE 151 Ca 0.00 -0.64 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 3kof s ILE 151 Cb 0.00 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 3kof s ILE 151 CO 0.00 0.27 0.72 0.20 0.00 0.00 0.00 174.94 176.13 3kof s ASN 152 N 1.46 7.26 0.17 3.58 0.01 -1.26 -2.45 114.94 123.70 3kof s ASN 152 Ca 0.04 1.49 0.10 0.00 -0.71 0.00 0.00 52.86 53.77 3kof s ASN 152 Cb -0.16 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 3kof s ASN 152 CO -0.01 0.17 -0.21 0.00 -1.51 0.00 0.00 177.10 175.53 3kof s ASN 154 N -2.54 4.52 -0.47 0.00 3.84 -0.12 -2.09 114.94 118.07 3kof s ASN 154 Ca 0.16 -1.30 -0.23 0.00 0.21 0.00 0.00 52.86 51.70 3kof s ASN 154 Cb -0.07 -1.60 0.03 0.00 -0.55 0.00 0.00 41.25 39.06 3kof s ASN 154 CO 0.07 -0.20 0.80 -0.76 -2.79 0.00 0.00 177.10 174.23 3kof s LEU 155 N 1.16 4.26 0.00 3.21 2.01 -0.46 -1.81 118.68 127.06 3kof s LEU 155 Ca -0.07 -0.17 0.05 0.00 0.01 0.00 0.00 54.13 53.95 3kof s LEU 155 Cb -0.19 -2.93 0.05 0.00 0.01 0.00 0.00 46.19 43.13 3kof s LEU 155 CO -0.04 -0.96 0.43 1.07 1.01 0.00 0.00 176.35 177.86 3kof n THR 156 N 6.13 0.00 -4.10 5.49 5.66 -0.52 -0.42 114.28 126.52 3kof n THR 156 Ca 0.02 -1.73 -0.30 0.00 -3.05 0.00 0.00 64.05 58.99 3kof n THR 156 Cb 0.48 -0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 68.97 3kof n THR 156 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kof n LEU 157 N 0.00 -1.84 -4.55 1.09 4.77 -1.26 -1.54 117.00 113.68 3kof n LEU 157 Ca 0.03 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 3kof n LEU 157 Cb 0.51 -2.07 -0.09 0.00 -2.33 0.00 0.00 43.42 39.44 3kof n LEU 157 CO 0.31 0.39 0.03 -0.22 -1.33 0.00 0.00 177.39 176.57 3kof s LEU 158 N -7.13 4.39 0.00 2.23 0.20 -1.25 -4.48 118.68 112.65 3kof s LEU 158 Ca 0.22 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.86 3kof s LEU 158 Cb -0.12 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.30 3kof s LEU 158 CO 0.92 -0.32 0.00 0.49 -0.29 0.00 0.00 176.35 177.15 3kof n PHE 159 N 5.37 0.00 -3.82 5.38 3.72 -1.26 -1.62 117.46 125.23 3kof n PHE 159 Ca -0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.04 3kof n PHE 159 Cb 0.50 0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 3kof n PHE 159 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kof s SER 160 N -4.05 6.36 0.30 4.37 1.04 -1.26 -4.82 113.70 115.64 3kof s SER 160 Ca 0.00 0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.72 3kof s SER 160 Cb 0.00 -1.96 0.53 0.00 0.10 0.00 0.00 66.02 64.69 3kof s SER 160 CO 0.00 0.01 1.92 0.15 0.98 0.00 0.00 173.24 176.29 3kof h PHE 161 N 2.07 1.04 -0.53 5.02 3.57 -1.97 -2.09 116.94 124.05 3kof h PHE 161 Ca -0.48 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.14 3kof h PHE 161 Cb 1.19 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.52 3kof h PHE 161 CO 0.54 0.55 0.12 0.00 -2.23 0.00 0.00 178.31 177.30 3kof h ALA 162 N 1.51 0.62 -0.16 2.41 0.00 -1.92 0.45 119.26 122.17 3kof h ALA 162 Ca 0.38 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.42 3kof h ALA 162 Cb 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3kof h ALA 162 CO -0.14 -0.29 -0.01 1.96 0.00 0.00 0.00 179.25 180.77 3kof h GLN 163 N 0.27 0.04 -0.19 0.00 4.20 -1.77 -1.75 115.11 115.90 3kof h GLN 163 Ca 0.27 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.02 3kof h GLN 163 Cb 0.36 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3kof h GLN 163 CO -0.33 0.03 -0.06 0.00 -0.67 0.00 0.00 178.83 177.79 3kof h ALA 164 N 1.14 0.11 -0.39 3.87 0.00 -0.62 -0.94 119.26 122.42 3kof h ALA 164 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kof h ALA 164 Cb 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kof h ALA 164 CO -0.13 -0.49 0.20 -0.09 0.00 0.00 0.00 179.25 178.74 3kof h ARG 165 N -0.02 0.56 -0.51 0.00 2.43 -0.88 -1.75 114.38 114.21 3kof h ARG 165 Ca 0.10 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3kof h ARG 165 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kof h ARG 165 CO -0.21 0.47 0.04 0.00 -1.51 0.00 0.00 179.97 178.76 3kof h ALA 166 N 1.06 1.11 -0.24 2.80 0.00 -1.12 -1.82 119.26 121.04 3kof h ALA 166 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kof h ALA 166 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kof h ALA 166 CO -0.02 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.85 3kof h ALA 168 N 0.86 1.22 0.00 0.00 0.00 -1.16 -2.50 119.26 117.68 3kof h ALA 168 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kof h ALA 168 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kof h ALA 168 CO 0.00 0.12 -0.36 0.93 0.00 0.00 0.00 179.25 179.94 3kof h GLU 169 N 0.83 0.00 0.00 0.00 5.08 -1.11 -2.52 114.58 116.85 3kof h GLU 169 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3kof h GLU 169 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kof h GLU 169 CO -0.25 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 3kof n ALA 170 N -2.22 2.19 -2.15 3.43 0.00 -0.54 -4.94 120.51 116.29 3kof n ALA 170 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 3kof n ALA 170 Cb 0.61 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 3kof n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 171 N 1.16 0.10 3.76 0.00 0.00 -0.95 -4.40 105.19 104.86 3kof n GLY 171 Ca 0.06 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3kof n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kof s VAL 172 N -2.36 2.89 0.15 1.61 -7.23 -1.19 -4.94 120.40 109.33 3kof s VAL 172 Ca 0.00 0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 60.59 3kof s VAL 172 Cb -0.00 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 3kof s VAL 172 CO 0.01 -0.15 1.51 0.15 -0.31 0.00 0.00 175.10 176.31 3kof h PHE 173 N 0.83 1.11 -3.05 2.82 3.04 -1.94 -3.38 116.94 116.37 3kof h PHE 173 Ca -0.50 -0.30 -0.14 0.00 3.98 0.00 0.00 57.97 61.01 3kof h PHE 173 Cb 1.28 -0.25 -0.23 0.00 2.56 0.00 0.00 35.95 39.31 3kof h PHE 173 CO 0.49 1.12 -0.34 -1.17 -2.02 0.00 0.00 178.31 176.39 3kof s LEU 174 N -9.00 0.90 -0.01 0.59 0.20 -0.89 -1.10 118.68 109.36 3kof s LEU 174 Ca -0.11 0.38 0.04 0.00 0.69 0.00 0.00 54.13 55.13 3kof s LEU 174 Cb 0.11 1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 46.93 3kof s LEU 174 CO 0.87 -0.23 -0.12 0.27 -0.29 0.00 0.00 176.35 176.84 3kof s ILE 175 N -0.43 3.22 -0.88 6.68 -4.36 0.43 -1.35 121.20 124.50 3kof s ILE 175 Ca -0.05 -0.84 -0.00 0.00 -0.26 0.00 0.00 60.65 59.49 3kof s ILE 175 Cb -0.04 -2.33 0.25 0.00 1.25 0.00 0.00 42.46 41.59 3kof s ILE 175 CO 0.02 0.47 0.92 -1.20 0.24 0.00 0.00 174.94 175.39 3kof n SER 176 N 1.88 4.57 -4.75 4.36 7.64 0.44 -1.09 113.62 126.67 3kof n SER 176 Ca -0.16 -3.27 -0.41 0.00 1.01 0.00 0.00 58.87 56.04 3kof n SER 176 Cb 0.52 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 3kof n SER 176 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3kof s PRO 177 N -1.94 4.37 0.32 1.43 0.04 -1.21 -3.74 135.00 134.26 3kof s PRO 177 Ca 0.31 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.41 3kof s PRO 177 Cb 0.01 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 3kof s PRO 177 CO -0.05 -0.24 0.65 0.71 0.04 0.00 0.00 177.00 178.11 3kof s TYR 178 N -0.42 3.45 0.05 0.56 1.51 -0.64 -1.89 117.35 119.96 3kof s TYR 178 Ca 0.54 0.90 -0.00 0.00 -1.01 0.00 0.00 57.07 57.49 3kof s TYR 178 Cb -0.38 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.16 3kof s TYR 178 CO 0.45 0.09 -0.01 0.28 -1.11 0.00 0.00 175.55 175.25 3kof n VAL 179 N -0.81 0.65 -0.20 0.71 0.31 -0.35 -4.73 118.33 113.91 3kof n VAL 179 Ca 0.01 0.22 -0.06 0.00 -0.01 0.00 0.00 64.34 64.49 3kof n VAL 179 Cb 0.53 -1.33 0.03 0.00 -0.91 0.00 0.00 33.84 32.17 3kof n VAL 179 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kof h GLY 180 N -0.02 0.81 2.00 2.92 0.00 0.12 -2.13 103.07 106.77 3kof h GLY 180 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3kof h GLY 180 CO 0.00 0.31 -0.12 0.83 0.00 0.00 0.00 176.54 177.56 3kof h GLU 181 N 0.78 0.00 -0.27 4.80 5.08 -1.91 0.43 114.58 123.49 3kof h GLU 181 Ca 0.21 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3kof h GLU 181 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3kof h GLU 181 CO -0.04 0.12 -0.26 0.82 -1.00 0.00 0.00 179.01 178.65 3kof h ILE 182 N 0.00 1.31 -0.35 3.13 2.04 -1.70 -2.24 117.51 119.70 3kof h ILE 182 Ca -0.00 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.50 3kof h ILE 182 Cb 0.26 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3kof h ILE 182 CO 0.02 0.45 0.05 0.25 0.00 0.00 0.00 178.15 178.92 3kof h LEU 183 N 0.38 -0.03 -0.54 1.44 5.85 -0.97 -2.14 115.31 119.31 3kof h LEU 183 Ca 0.04 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3kof h LEU 183 Cb 0.82 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 3kof h LEU 183 CO 0.06 0.02 -0.09 0.44 -0.34 0.00 0.00 178.44 178.54 3kof h ASP 184 N 0.17 -0.41 -0.52 1.25 3.32 -0.90 -1.72 116.42 117.61 3kof h ASP 184 Ca 0.17 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3kof h ASP 184 Cb 0.20 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kof h ASP 184 CO -0.24 -0.15 0.23 -0.25 -1.72 0.00 0.00 179.24 177.11 3kof h TRP 185 N 0.04 0.78 -0.46 4.55 7.01 -1.06 -1.06 115.95 125.74 3kof h TRP 185 Ca 0.27 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.14 3kof h TRP 185 Cb 0.41 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3kof h TRP 185 CO -0.41 0.63 -0.02 1.88 -2.79 0.00 0.00 178.44 177.72 3kof h TYR 186 N 0.70 0.91 -0.58 2.65 -1.99 -0.98 0.20 116.97 117.88 3kof h TYR 186 Ca 0.18 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3kof h TYR 186 Cb 0.16 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 3kof h TYR 186 CO 0.00 0.89 0.32 0.87 -0.00 0.00 0.00 178.16 180.24 3kof h LYS 187 N 0.68 0.81 0.00 4.88 1.57 -1.15 -0.20 116.57 123.16 3kof h LYS 187 Ca 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3kof h LYS 187 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3kof h LYS 187 CO 0.03 0.62 -0.33 0.00 -0.57 0.00 0.00 179.45 179.19 3kof h ALA 188 N 1.15 1.22 -0.06 3.86 0.00 -1.02 -3.33 119.26 121.08 3kof h ALA 188 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kof h ALA 188 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kof h ALA 188 CO -0.03 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.72 3kof n ASN 189 N -3.82 1.91 -4.26 0.00 3.02 0.04 -5.01 115.26 107.14 3kof n ASN 189 Ca -0.01 -1.69 -0.14 0.00 -0.03 0.00 0.00 54.58 52.70 3kof n ASN 189 Cb 0.41 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 3kof n ASN 189 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kof s THR 190 N -0.74 0.30 0.12 3.41 -4.23 -0.12 -5.01 115.64 109.37 3kof s THR 190 Ca 0.06 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 3kof s THR 190 Cb 0.03 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 3kof s THR 190 CO 0.04 -0.03 1.46 0.44 -0.54 0.00 0.00 174.62 175.99 3kof h ASP 191 N 2.52 0.84 -2.54 3.99 3.32 -1.86 -3.44 116.42 119.24 3kof h ASP 191 Ca -0.37 -0.45 -0.55 0.00 0.02 0.00 0.00 57.03 55.69 3kof h ASP 191 Cb 1.25 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 3kof h ASP 191 CO 0.57 1.10 1.15 -0.75 -1.72 0.00 0.00 179.24 179.60 3kof s LYS 192 N -4.47 4.05 0.00 3.56 2.20 -1.26 -4.87 119.74 118.95 3kof s LYS 192 Ca -0.12 2.19 0.02 0.00 -0.36 0.00 0.00 55.97 57.70 3kof s LYS 192 Cb 0.10 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.39 3kof s LYS 192 CO 0.84 -1.02 0.83 0.36 -0.36 0.00 0.00 175.35 176.00 3kof n LYS 193 N 7.41 1.32 -4.33 4.03 2.85 -1.26 -4.30 118.16 123.87 3kof n LYS 193 Ca 0.19 -1.16 -0.30 0.00 -1.05 0.00 0.00 58.31 55.99 3kof n LYS 193 Cb 0.43 -1.04 -0.17 0.00 -0.65 0.00 0.00 35.03 33.60 3kof n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kof s GLU 194 N -0.62 2.43 -0.04 -1.58 2.02 -1.26 -5.00 118.70 114.64 3kof s GLU 194 Ca 0.03 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.45 3kof s GLU 194 Cb 0.02 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.14 3kof s GLU 194 CO 0.03 -0.12 -0.21 0.71 0.02 0.00 0.00 175.26 175.68 3kof s TYR 195 N 1.14 2.07 0.63 1.61 1.51 -1.26 -5.10 117.35 117.95 3kof s TYR 195 Ca -0.02 -0.57 -0.17 0.00 -1.01 0.00 0.00 57.07 55.30 3kof s TYR 195 Cb -0.14 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3kof s TYR 195 CO -0.05 -0.17 1.18 0.00 -1.11 0.00 0.00 175.55 175.40 3kof s ALA 196 N -0.15 2.45 0.24 3.71 0.00 -1.26 -4.79 121.76 121.97 3kof s ALA 196 Ca -0.02 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3kof s ALA 196 Cb -0.12 -3.42 0.44 0.00 0.00 0.00 0.00 23.12 20.02 3kof s ALA 196 CO 0.02 -1.30 1.65 -1.35 0.00 0.00 0.00 175.76 174.78 3kof h PRO 197 N 0.47 0.13 0.00 0.00 0.11 -1.97 0.52 132.00 131.25 3kof h PRO 197 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kof h PRO 197 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kof h PRO 197 CO 0.54 0.09 -0.01 0.00 -0.21 0.00 0.00 178.00 178.41 3kof h ALA 198 N 1.68 1.01 -0.03 -0.75 0.00 -1.93 -2.40 119.26 116.84 3kof h ALA 198 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3kof h ALA 198 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kof h ALA 198 CO -0.63 0.01 -0.08 -0.85 0.00 0.00 0.00 179.25 177.71 3kof n GLU 199 N -3.10 2.14 -1.68 0.00 0.28 0.06 -4.63 120.64 113.71 3kof n GLU 199 Ca -0.00 -1.78 -0.47 0.00 -0.16 0.00 0.00 57.16 54.75 3kof n GLU 199 Cb 0.26 -1.46 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 3kof n GLU 199 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3kof n ASP 200 N 1.13 3.56 0.30 -1.84 -0.08 -0.53 -4.85 116.55 114.24 3kof n ASP 200 Ca 0.13 0.98 0.20 0.00 -1.51 0.00 0.00 54.79 54.59 3kof n ASP 200 Cb 0.58 -1.41 0.92 0.00 2.34 0.00 0.00 41.12 43.55 3kof n ASP 200 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kof h PRO 201 N 8.96 0.00 0.03 -0.67 0.13 -1.91 -0.45 132.00 138.09 3kof h PRO 201 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 3kof h PRO 201 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kof h PRO 201 CO 0.94 0.00 -0.97 0.78 -0.23 0.00 0.00 178.00 178.52 3kof h GLY 202 N 1.12 0.32 0.84 1.56 0.00 -1.87 -2.20 103.07 102.85 3kof h GLY 202 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3kof h GLY 202 CO 0.00 0.54 -0.02 -2.08 0.00 0.00 0.00 176.54 174.98 3kof h VAL 203 N 0.15 1.27 -0.31 4.60 2.07 -1.54 -1.63 116.25 120.85 3kof h VAL 203 Ca -0.07 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3kof h VAL 203 Cb 1.63 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 3kof h VAL 203 CO 0.16 0.30 0.05 0.58 0.02 0.00 0.00 177.57 178.67 3kof h VAL 204 N 0.19 0.83 0.52 2.57 2.07 -1.18 -0.42 116.25 120.83 3kof h VAL 204 Ca 0.06 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3kof h VAL 204 Cb 0.45 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kof h VAL 204 CO 0.02 0.03 -0.42 -1.28 0.02 0.00 0.00 177.57 175.93 3kof h SER 205 N 0.15 -1.12 -0.97 0.57 0.87 -1.28 -0.75 113.55 111.02 3kof h SER 205 Ca 0.15 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3kof h SER 205 Cb 0.17 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 3kof h SER 205 CO -0.21 -0.61 0.64 0.58 -0.53 0.00 0.00 176.83 176.70 3kof h VAL 206 N -0.93 1.20 -0.87 2.23 2.07 -1.22 -0.80 116.25 117.93 3kof h VAL 206 Ca -0.06 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kof h VAL 206 Cb 0.79 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3kof h VAL 206 CO -0.01 0.23 0.54 0.28 0.02 0.00 0.00 177.57 178.64 3kof h SER 207 N 1.27 1.03 -0.34 0.57 0.02 -0.90 -0.04 113.55 115.14 3kof h SER 207 Ca 0.37 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3kof h SER 207 Cb -0.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3kof h SER 207 CO -0.10 0.77 0.00 -0.33 -1.14 0.00 0.00 176.83 176.03 3kof h GLU 208 N 1.19 0.61 -0.31 3.45 5.08 -0.61 -2.23 114.58 121.75 3kof h GLU 208 Ca 0.31 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3kof h GLU 208 Cb -0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3kof h GLU 208 CO -0.06 0.72 0.13 0.82 -1.00 0.00 0.00 179.01 179.62 3kof h ILE 209 N 0.42 1.18 -0.34 3.13 2.04 -0.99 -1.67 117.51 121.27 3kof h ILE 209 Ca 0.10 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3kof h ILE 209 Cb 0.44 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3kof h ILE 209 CO 0.02 0.19 0.01 0.22 0.00 0.00 0.00 178.15 178.58 3kof h TYR 210 N 0.36 -0.00 -0.28 1.37 3.20 -0.99 -0.09 116.97 120.55 3kof h TYR 210 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3kof h TYR 210 Cb 0.17 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3kof h TYR 210 CO -0.01 -0.05 0.17 1.96 -1.64 0.00 0.00 178.16 178.59 3kof h GLN 211 N 0.11 0.33 -0.95 1.82 1.08 -1.27 -0.81 115.11 115.42 3kof h GLN 211 Ca 0.17 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 3kof h GLN 211 Cb 0.22 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 3kof h GLN 211 CO -0.27 0.22 0.63 -0.92 -0.95 0.00 0.00 178.83 177.54 3kof h TYR 212 N 0.34 1.19 0.37 2.96 3.20 -0.92 0.14 116.97 124.25 3kof h TYR 212 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3kof h TYR 212 Cb -0.01 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.87 3kof h TYR 212 CO -0.07 0.73 -0.18 1.88 -1.64 0.00 0.00 178.16 178.88 3kof h TYR 213 N 1.27 -0.46 -0.31 -3.82 -1.99 -0.60 -2.88 116.97 108.17 3kof h TYR 213 Ca 0.36 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.99 3kof h TYR 213 Cb -0.11 0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3kof h TYR 213 CO -0.00 -0.18 -0.14 0.87 -0.00 0.00 0.00 178.16 178.71 3kof h LYS 214 N -0.69 0.63 -1.04 4.88 1.79 -1.01 -1.57 116.57 119.57 3kof h LYS 214 Ca -0.05 -0.27 0.28 0.00 -2.18 0.00 0.00 60.65 58.43 3kof h LYS 214 Cb 0.49 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 3kof h LYS 214 CO 0.08 0.85 0.71 1.49 -1.08 0.00 0.00 179.45 181.50 3kof h GLU 215 N 0.39 0.20 -0.33 3.15 4.81 -0.78 -0.90 114.58 121.13 3kof h GLU 215 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kof h GLU 215 Cb 0.65 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3kof h GLU 215 CO 0.04 0.14 0.00 0.72 -0.73 0.00 0.00 179.01 179.18 3kof n HIS 216 N -4.42 0.86 -1.78 0.92 8.25 -1.09 0.35 115.22 118.30 3kof n HIS 216 Ca 0.24 -0.72 -0.17 0.00 -0.26 0.00 0.00 57.72 56.80 3kof n HIS 216 Cb 0.98 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.83 3kof n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kof n GLY 217 N 0.02 1.01 3.77 -1.41 0.00 -0.34 -4.78 105.19 103.45 3kof n GLY 217 Ca 0.18 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3kof n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kof s TYR 218 N -2.72 2.95 -1.57 1.61 2.02 -0.61 -4.93 117.35 114.10 3kof s TYR 218 Ca 0.00 1.45 0.24 0.00 -0.37 0.00 0.00 57.07 58.39 3kof s TYR 218 Cb 0.00 -3.60 0.37 0.00 -0.40 0.00 0.00 41.96 38.33 3kof s TYR 218 CO 0.00 -1.83 1.32 0.39 -1.57 0.00 0.00 175.55 173.86 3kof n GLU 219 N 0.31 0.64 -1.69 -0.62 1.02 -1.26 -4.73 120.64 114.31 3kof n GLU 219 Ca 0.03 -0.45 -0.42 0.00 -0.02 0.00 0.00 57.16 56.30 3kof n GLU 219 Cb 0.44 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3kof n GLU 219 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kof n THR 220 N -0.78 0.33 -2.03 2.62 -1.04 -1.26 -4.95 114.28 107.17 3kof n THR 220 Ca 0.09 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3kof n THR 220 Cb 0.37 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 3kof n THR 220 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kof s VAL 221 N 2.57 2.80 -0.28 12.58 1.01 -0.26 -4.84 120.40 133.97 3kof s VAL 221 Ca 0.81 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 63.29 3kof s VAL 221 Cb -0.47 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3kof s VAL 221 CO 0.36 0.07 0.22 -0.69 0.00 0.00 0.00 175.10 175.07 3kof s VAL 222 N 0.60 5.29 -0.31 2.92 1.01 -1.26 -0.43 120.40 128.21 3kof s VAL 222 Ca 0.64 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.81 3kof s VAL 222 Cb -0.41 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.49 3kof s VAL 222 CO 0.36 0.21 0.06 -0.32 0.00 0.00 0.00 175.10 175.42 3kof s MET 223 N 1.80 1.08 0.54 2.72 1.75 -0.25 -1.89 119.30 125.05 3kof s MET 223 Ca 0.08 -1.33 -0.22 0.00 -1.25 0.00 0.00 55.69 52.97 3kof s MET 223 Cb -0.16 -2.48 -0.05 0.00 2.84 0.00 0.00 34.83 34.98 3kof s MET 223 CO 0.11 -0.92 1.32 0.20 -0.65 0.00 0.00 175.02 175.08 3kof s GLY 224 N 1.35 2.87 0.09 2.11 0.00 -1.05 -3.35 107.32 109.33 3kof s GLY 224 Ca 0.08 1.27 -0.10 0.00 0.00 0.00 0.00 44.72 45.97 3kof s GLY 224 CO -0.17 1.77 0.23 0.00 0.00 0.00 0.00 173.10 174.93 3kof s ALA 225 N -1.35 -0.38 -0.14 3.20 0.00 -0.79 -1.81 121.76 120.48 3kof s ALA 225 Ca 0.71 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 3kof s ALA 225 Cb -0.38 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.26 3kof s ALA 225 CO 0.45 -0.51 0.19 0.45 0.00 0.00 0.00 175.76 176.34 3kof n SER 226 N 0.03 -1.38 -4.35 0.00 2.88 -1.26 -1.21 113.62 108.33 3kof n SER 226 Ca -0.16 1.18 -0.27 0.00 -1.33 0.00 0.00 58.87 58.29 3kof n SER 226 Cb 0.62 -4.58 -0.13 0.00 -0.75 0.00 0.00 64.21 59.37 3kof n SER 226 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3kof s PHE 227 N -0.55 2.12 -0.18 0.66 0.08 -1.26 0.73 117.98 119.58 3kof s PHE 227 Ca -0.22 -0.39 0.17 0.00 0.12 0.00 0.00 56.93 56.61 3kof s PHE 227 Cb 0.01 -1.17 -0.24 0.00 -0.57 0.00 0.00 43.02 41.06 3kof s PHE 227 CO 0.59 0.26 0.08 0.54 -0.10 0.00 0.00 175.22 176.59 3kof n ARG 228 N 1.10 0.87 -3.65 0.44 5.12 -1.26 -4.85 116.66 114.42 3kof n ARG 228 Ca -0.18 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.62 3kof n ARG 228 Cb 0.53 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 3kof n ARG 228 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kof s ASN 229 N -5.32 -0.24 0.40 0.55 2.20 -1.26 -5.05 114.94 106.21 3kof s ASN 229 Ca -0.09 -0.35 0.21 0.00 -0.94 0.00 0.00 52.86 51.68 3kof s ASN 229 Cb 0.06 0.50 0.71 0.00 -2.00 0.00 0.00 41.25 40.51 3kof s ASN 229 CO 0.79 -0.90 1.74 0.16 -2.94 0.00 0.00 177.10 175.94 3kof h ILE 230 N 2.32 0.67 -0.61 0.54 3.07 -1.97 -2.80 117.51 118.74 3kof h ILE 230 Ca -0.33 -1.39 0.10 0.00 1.55 0.00 0.00 64.86 64.78 3kof h ILE 230 Cb 1.26 1.92 -0.07 0.00 -0.27 0.00 0.00 36.82 39.65 3kof h ILE 230 CO 0.45 0.30 0.22 1.23 -1.05 0.00 0.00 178.15 179.29 3kof h GLY 231 N 2.34 0.85 0.88 0.16 0.00 -2.00 -1.43 103.07 103.87 3kof h GLY 231 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.25 3kof h GLY 231 CO 0.04 -0.03 0.64 0.83 0.00 0.00 0.00 176.54 178.02 3kof h GLU 232 N 0.40 1.20 -0.25 4.80 5.08 -1.85 -2.43 114.58 121.53 3kof h GLU 232 Ca 0.31 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3kof h GLU 232 Cb 0.39 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kof h GLU 232 CO -0.32 0.79 -0.06 0.82 -1.00 0.00 0.00 179.01 179.25 3kof h ILE 233 N 1.23 1.28 -0.09 3.13 2.04 -1.40 -3.06 117.51 120.65 3kof h ILE 233 Ca 0.39 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3kof h ILE 233 Cb -0.00 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3kof h ILE 233 CO -0.12 0.33 -0.39 -0.07 0.00 0.00 0.00 178.15 177.90 3kof h LEU 234 N 0.22 0.19 -0.88 1.44 3.38 -1.23 0.13 115.31 118.55 3kof h LEU 234 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kof h LEU 234 Cb 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kof h LEU 234 CO 0.02 0.56 0.00 1.21 0.09 0.00 0.00 178.44 180.33 3kof n GLU 235 N -4.05 0.20 -0.26 1.13 4.07 -0.92 -2.36 120.64 118.44 3kof n GLU 235 Ca -0.01 0.47 0.07 0.00 -0.06 0.00 0.00 57.16 57.62 3kof n GLU 235 Cb 0.45 -1.91 0.18 0.00 -0.06 0.00 0.00 31.44 30.10 3kof n GLU 235 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3kof n LEU 236 N -2.29 3.19 -4.69 4.31 4.77 -0.01 -4.63 117.00 117.65 3kof n LEU 236 Ca 0.01 -2.47 -0.43 0.00 -0.03 0.00 0.00 56.01 53.10 3kof n LEU 236 Cb 0.20 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3kof n LEU 236 CO 0.18 0.69 1.48 0.00 -1.33 0.00 0.00 177.39 178.41 3kof n ALA 237 N -0.10 2.02 0.00 -1.18 0.00 -0.97 -1.09 120.51 119.19 3kof n ALA 237 Ca 0.15 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3kof n ALA 237 Cb 0.61 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3kof n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 238 N 4.23 2.00 3.69 0.00 0.00 -1.26 -0.71 105.19 113.14 3kof n GLY 238 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3kof n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kof h ASP 240 N 4.00 -1.41 -4.92 0.00 3.32 -1.86 -3.38 116.42 112.16 3kof h ASP 240 Ca -0.46 0.29 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 3kof h ASP 240 Cb 1.27 0.72 -0.16 0.00 0.22 0.00 0.00 39.33 41.38 3kof h ASP 240 CO 0.74 -0.29 -0.69 -0.13 -1.72 0.00 0.00 179.24 177.14 3kof s ARG 241 N -5.93 0.65 -0.04 3.56 0.52 -0.79 -1.35 118.95 115.57 3kof s ARG 241 Ca -0.14 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 53.91 3kof s ARG 241 Cb 0.18 -0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.68 3kof s ARG 241 CO 0.70 -0.05 0.07 -0.51 0.02 0.00 0.00 175.30 175.53 3kof s LEU 242 N -2.67 0.90 -0.23 2.53 1.43 -0.60 -2.52 118.68 117.53 3kof s LEU 242 Ca 0.05 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3kof s LEU 242 Cb 0.03 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 3kof s LEU 242 CO -0.06 -0.14 0.12 0.28 0.23 0.00 0.00 176.35 176.77 3kof s THR 243 N 1.19 4.98 -0.03 5.49 -1.32 -0.75 -1.24 115.64 123.95 3kof s THR 243 Ca -0.08 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 3kof s THR 243 Cb -0.13 -3.30 0.01 0.00 -1.51 0.00 0.00 72.50 67.57 3kof s THR 243 CO -0.04 0.37 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.03 3kof s ILE 244 N 1.02 0.78 0.58 5.08 1.01 0.08 -4.20 121.20 125.54 3kof s ILE 244 Ca 0.06 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 3kof s ILE 244 Cb -0.14 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3kof s ILE 244 CO 0.04 0.25 1.18 0.00 0.00 0.00 0.00 174.94 176.41 3kof s ALA 245 N 0.37 2.58 0.34 9.38 0.00 -1.26 -0.88 121.76 132.29 3kof s ALA 245 Ca -0.06 0.94 0.08 0.00 0.00 0.00 0.00 51.96 52.92 3kof s ALA 245 Cb -0.10 -3.42 0.80 0.00 0.00 0.00 0.00 23.12 20.39 3kof s ALA 245 CO 0.01 -1.05 1.82 -1.35 0.00 0.00 0.00 175.76 175.19 3kof h PRO 246 N 0.95 0.69 -0.68 0.00 0.11 -1.98 -0.87 132.00 130.22 3kof h PRO 246 Ca -0.50 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.63 3kof h PRO 246 Cb 1.29 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3kof h PRO 246 CO 0.56 0.46 0.37 1.15 -0.21 0.00 0.00 178.00 180.33 3kof h THR 247 N 0.71 0.94 0.06 -1.15 2.02 -1.97 0.15 112.91 113.68 3kof h THR 247 Ca 0.51 -0.23 -0.24 0.00 0.77 0.00 0.00 66.41 67.22 3kof h THR 247 Cb 0.85 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3kof h THR 247 CO -0.28 0.12 -1.08 -0.07 0.37 0.00 0.00 175.52 174.59 3kof h LEU 248 N 0.67 0.28 -0.89 2.58 3.38 -1.70 -2.41 115.31 117.22 3kof h LEU 248 Ca 0.31 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kof h LEU 248 Cb 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3kof h LEU 248 CO -0.20 1.17 0.58 -0.07 0.09 0.00 0.00 178.44 180.01 3kof h LEU 249 N 0.07 1.02 -0.25 1.67 3.38 -0.84 -1.36 115.31 119.01 3kof h LEU 249 Ca -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kof h LEU 249 Cb 1.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 3kof h LEU 249 CO 0.17 0.75 0.14 0.50 0.09 0.00 0.00 178.44 180.09 3kof h LYS 250 N 1.20 0.34 -0.68 1.13 3.64 -0.68 -1.34 116.57 120.20 3kof h LYS 250 Ca 0.32 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3kof h LYS 250 Cb -0.13 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3kof h LYS 250 CO -0.07 0.30 0.32 0.93 -2.27 0.00 0.00 179.45 178.66 3kof h GLU 251 N 0.30 0.96 -0.15 1.90 5.08 -1.16 -0.80 114.58 120.71 3kof h GLU 251 Ca 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3kof h GLU 251 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3kof h GLU 251 CO -0.01 0.75 0.02 -0.07 -1.00 0.00 0.00 179.01 178.69 3kof h LEU 252 N 0.96 0.24 -1.69 1.33 3.38 -1.15 -2.03 115.31 116.35 3kof h LEU 252 Ca 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kof h LEU 252 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kof h LEU 252 CO -0.03 0.44 -0.08 0.00 0.09 0.00 0.00 178.44 178.86 3kof h ALA 253 N 0.81 1.75 -0.01 1.53 0.00 -0.85 -1.73 119.26 120.75 3kof h ALA 253 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kof h ALA 253 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kof h ALA 253 CO 0.00 0.19 -0.20 0.39 0.00 0.00 0.00 179.25 179.63 3kof n GLU 254 N -4.39 0.85 -3.39 0.00 1.02 -0.34 -4.72 120.64 109.68 3kof n GLU 254 Ca -0.02 -0.46 -0.37 0.00 -0.02 0.00 0.00 57.16 56.29 3kof n GLU 254 Cb 0.19 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 3kof n GLU 254 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kof s SER 255 N -2.46 6.58 0.18 1.62 0.15 -0.67 -5.02 113.70 114.08 3kof s SER 255 Ca 0.26 0.69 -0.14 0.00 0.70 0.00 0.00 55.95 57.46 3kof s SER 255 Cb 0.20 -2.25 -0.07 0.00 -1.71 0.00 0.00 66.02 62.18 3kof s SER 255 CO 0.50 0.02 0.58 -1.61 1.20 0.00 0.00 173.24 173.93 3kof s GLU 256 N 0.66 3.98 0.00 5.44 0.41 -1.26 -0.80 118.70 127.12 3kof s GLU 256 Ca 0.22 0.51 0.00 0.00 -0.41 0.00 0.00 54.97 55.29 3kof s GLU 256 Cb -0.14 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 3kof s GLU 256 CO 0.08 0.42 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 3kof n GLY 257 N 0.55 2.95 3.75 -1.39 0.00 -0.64 -4.78 105.19 105.62 3kof n GLY 257 Ca -0.03 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3kof n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kof s ALA 258 N -0.82 2.05 0.22 4.61 0.00 -1.26 -3.85 121.76 122.71 3kof s ALA 258 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.30 3kof s ALA 258 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3kof s ALA 258 CO 0.00 -1.98 -0.14 0.96 0.00 0.00 0.00 175.76 174.60 3kof s ILE 259 N -2.87 1.78 0.22 0.00 -4.36 -1.26 -5.03 121.20 109.68 3kof s ILE 259 Ca 0.62 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3kof s ILE 259 Cb -0.18 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3kof s ILE 259 CO 0.56 -0.55 0.40 -1.83 0.24 0.00 0.00 174.94 173.76 3kof s GLU 260 N -3.64 3.50 0.09 0.37 -1.05 -1.26 -4.95 118.70 111.76 3kof s GLU 260 Ca 0.24 -0.40 -0.31 0.00 -0.15 0.00 0.00 54.97 54.35 3kof s GLU 260 Cb -0.01 -2.83 -0.07 0.00 -0.44 0.00 0.00 34.13 30.79 3kof s GLU 260 CO 0.08 0.38 1.31 0.50 0.95 0.00 0.00 175.26 178.48 3kof s ARG 261 N -3.50 4.37 -0.13 -4.83 3.52 -1.26 -4.80 118.95 112.31 3kof s ARG 261 Ca 0.38 1.94 0.12 0.00 -0.13 0.00 0.00 55.73 58.04 3kof s ARG 261 Cb -0.11 -3.29 -0.16 0.00 -1.56 0.00 0.00 34.95 29.83 3kof s ARG 261 CO 0.30 -0.36 0.04 1.63 -0.81 0.00 0.00 175.30 176.10 3kof n LYS 262 N 3.96 1.81 -3.85 5.12 4.76 0.11 -4.95 118.16 125.12 3kof n LYS 262 Ca 0.10 -0.01 -0.36 0.00 -2.87 0.00 0.00 58.31 55.18 3kof n LYS 262 Cb 0.44 -1.34 -0.13 0.00 -1.84 0.00 0.00 35.03 32.16 3kof n LYS 262 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kof s LEU 263 N -4.99 3.76 0.10 -0.35 2.96 -0.29 -5.00 118.68 114.87 3kof s LEU 263 Ca -0.07 -0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 52.79 3kof s LEU 263 Cb 0.04 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3kof s LEU 263 CO 0.54 -0.22 0.20 -0.44 -1.32 0.00 0.00 176.35 175.12 3kof s SER 264 N 1.38 0.11 -0.16 3.68 0.01 -1.26 -4.43 113.70 113.02 3kof s SER 264 Ca -0.01 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.53 3kof s SER 264 Cb -0.18 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.46 3kof s SER 264 CO -0.00 -0.75 0.04 -0.47 0.41 0.00 0.00 173.24 172.46 3kof s TYR 265 N -3.88 0.83 -0.44 2.43 5.04 -1.26 -4.96 117.35 115.11 3kof s TYR 265 Ca 0.07 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 54.08 3kof s TYR 265 Cb 0.05 -0.93 0.12 0.00 0.35 0.00 0.00 41.96 41.55 3kof s TYR 265 CO -0.09 -0.53 0.20 0.95 -1.34 0.00 0.00 175.55 174.73 3kof s THR 266 N 1.92 2.86 -0.44 4.34 -4.23 -1.26 -5.01 115.64 113.82 3kof s THR 266 Ca 0.01 -2.54 0.00 0.00 -1.18 0.00 0.00 61.69 57.98 3kof s THR 266 Cb -0.16 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.69 3kof s THR 266 CO -0.07 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 3kof n GLY 267 N 4.02 -1.25 3.89 3.99 0.00 -1.26 -5.17 105.19 109.41 3kof n GLY 267 Ca 0.03 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 3kof n GLY 267 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kof s GLU 268 N -0.65 3.61 -0.33 1.61 2.12 -1.26 -5.04 118.70 118.76 3kof s GLU 268 Ca 0.00 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 54.96 3kof s GLU 268 Cb 0.00 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.44 3kof s GLU 268 CO 0.00 0.54 1.41 0.08 -0.54 0.00 0.00 175.26 176.75 3kof s VAL 269 N -1.52 3.95 0.48 3.70 1.01 -1.26 -4.77 120.40 122.00 3kof s VAL 269 Ca 0.36 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 3kof s VAL 269 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3kof s VAL 269 CO 0.22 -0.55 0.81 -0.54 0.00 0.00 0.00 175.10 175.04 3kof s LYS 270 N 4.60 3.60 0.41 2.72 -0.14 0.16 -4.96 119.74 126.13 3kof s LYS 270 Ca 0.62 0.33 -0.25 0.00 -1.36 0.00 0.00 55.97 55.31 3kof s LYS 270 Cb -0.17 -2.34 -0.08 0.00 -1.68 0.00 0.00 37.83 33.56 3kof s LYS 270 CO 0.28 -0.22 1.19 0.00 -0.76 0.00 0.00 175.35 175.85 3kof s ALA 271 N -2.72 3.13 0.29 5.17 0.00 -1.26 -4.50 121.76 121.87 3kof s ALA 271 Ca 0.49 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 3kof s ALA 271 Cb -0.10 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3kof s ALA 271 CO 0.43 -0.62 0.67 1.03 0.00 0.00 0.00 175.76 177.28 3kof s ARG 272 N -2.37 3.93 0.98 0.00 0.52 -1.26 -5.01 118.95 115.74 3kof s ARG 272 Ca 0.58 0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 3kof s ARG 272 Cb -0.32 -2.51 0.18 0.00 0.52 0.00 0.00 34.95 32.83 3kof s ARG 272 CO 0.40 0.21 1.15 -1.25 0.02 0.00 0.00 175.30 175.82 3kof s PRO 273 N -2.93 0.54 0.78 3.54 0.04 -1.26 -5.01 135.00 130.70 3kof s PRO 273 Ca 0.52 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.59 3kof s PRO 273 Cb -0.11 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.69 3kof s PRO 273 CO 0.19 -2.58 0.91 0.00 0.04 0.00 0.00 177.00 175.56 3kof n ALA 274 N -4.01 -0.67 -1.77 8.56 0.00 -1.26 -4.94 120.51 116.42 3kof n ALA 274 Ca 0.08 -0.30 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 3kof n ALA 274 Cb 0.59 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 3kof n ALA 274 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kof s ARG 275 N -3.57 4.28 0.12 0.00 0.52 -1.26 -4.96 118.95 114.08 3kof s ARG 275 Ca 0.70 1.97 -0.31 0.00 -0.52 0.00 0.00 55.73 57.56 3kof s ARG 275 Cb -0.31 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 3kof s ARG 275 CO 0.54 -0.16 1.58 -1.50 0.02 0.00 0.00 175.30 175.77 3kof s ILE 276 N -1.26 2.85 0.69 1.52 2.07 -1.26 -5.00 121.20 120.81 3kof s ILE 276 Ca 0.51 0.52 -0.11 0.00 -1.41 0.00 0.00 60.65 60.16 3kof s ILE 276 Cb -0.34 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 38.92 3kof s ILE 276 CO 0.44 0.02 1.08 0.42 -1.91 0.00 0.00 174.94 175.00 3kof s THR 277 N 1.69 3.73 0.24 4.00 -4.23 -1.26 -4.87 115.64 114.93 3kof s THR 277 Ca 0.71 0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 61.73 3kof s THR 277 Cb -0.41 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.07 3kof s THR 277 CO 0.31 -0.73 1.78 -0.08 -0.54 0.00 0.00 174.62 175.36 3kof h GLU 278 N -0.59 0.64 -0.48 3.99 4.81 -1.99 0.15 114.58 121.11 3kof h GLU 278 Ca -0.45 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 3kof h GLU 278 Cb 1.24 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3kof h GLU 278 CO 0.63 0.42 0.20 0.77 -0.73 0.00 0.00 179.01 180.31 3kof h SER 279 N 0.66 0.65 -0.57 1.04 0.02 -1.99 -0.09 113.55 113.27 3kof h SER 279 Ca 0.38 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3kof h SER 279 Cb 0.42 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3kof h SER 279 CO -0.28 0.64 0.12 -0.33 -1.14 0.00 0.00 176.83 175.84 3kof h GLU 280 N 0.63 0.96 -0.12 3.45 5.08 -1.81 -1.67 114.58 121.11 3kof h GLU 280 Ca 0.16 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3kof h GLU 280 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kof h GLU 280 CO -0.01 0.88 0.06 0.35 -1.00 0.00 0.00 179.01 179.28 3kof h PHE 281 N 0.92 0.17 -0.53 4.33 3.57 -0.67 -0.88 116.94 123.84 3kof h PHE 281 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3kof h PHE 281 Cb 0.37 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3kof h PHE 281 CO 0.02 0.20 0.29 -0.07 -2.23 0.00 0.00 178.31 176.52 3kof h LEU 282 N 0.09 0.66 0.08 0.59 3.38 -0.87 0.11 115.31 119.34 3kof h LEU 282 Ca 0.04 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kof h LEU 282 Cb 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kof h LEU 282 CO -0.01 0.56 -0.20 -0.25 0.09 0.00 0.00 178.44 178.63 3kof h TRP 283 N 0.70 -0.52 -0.31 1.13 2.91 -1.19 -2.15 115.95 116.52 3kof h TRP 283 Ca 0.19 0.01 -0.17 0.00 1.13 0.00 0.00 58.89 60.05 3kof h TRP 283 Cb 0.04 0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 3kof h TRP 283 CO -0.02 -0.29 -0.48 1.96 -1.03 0.00 0.00 178.44 178.58 3kof h GLN 284 N -0.36 0.85 -0.79 2.65 4.20 -0.86 -1.44 115.11 119.36 3kof h GLN 284 Ca 0.03 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 3kof h GLN 284 Cb 0.40 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3kof h GLN 284 CO -0.13 1.14 0.39 1.25 -0.67 0.00 0.00 178.83 180.81 3kof h HIS 285 N 0.67 1.12 -0.00 2.96 2.76 -0.81 -2.81 115.15 119.04 3kof h HIS 285 Ca 0.03 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3kof h HIS 285 Cb 1.08 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.69 3kof h HIS 285 CO 0.06 0.81 -0.04 0.09 -1.30 0.00 0.00 177.93 177.56 3kof n ASN 286 N -4.37 0.10 0.18 3.26 3.02 -0.81 -2.06 115.26 114.57 3kof n ASN 286 Ca 0.07 -0.11 0.14 0.00 -0.03 0.00 0.00 54.58 54.65 3kof n ASN 286 Cb 0.13 -0.27 0.56 0.00 -0.61 0.00 0.00 39.78 39.59 3kof n ASN 286 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kof h GLN 287 N 0.10 0.00 -4.11 3.52 1.08 -1.00 -3.41 115.11 111.29 3kof h GLN 287 Ca 0.00 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.48 3kof h GLN 287 Cb 0.34 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 27.45 3kof h GLN 287 CO 0.00 0.00 -0.38 0.34 -0.95 0.00 0.00 178.83 177.84 3kof s ASP 288 N -4.76 5.56 0.42 1.46 -1.08 -0.88 -4.97 116.67 112.43 3kof s ASP 288 Ca 0.03 -2.27 0.16 0.00 -0.52 0.00 0.00 52.55 49.95 3kof s ASP 288 Cb 0.09 -1.94 0.94 0.00 -1.46 0.00 0.00 42.92 40.55 3kof s ASP 288 CO 0.45 -0.56 1.91 1.55 0.52 0.00 0.00 175.17 179.05 3kof h PRO 289 N 7.90 0.00 -0.14 4.34 0.13 -1.83 -1.03 132.00 141.37 3kof h PRO 289 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3kof h PRO 289 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3kof h PRO 289 CO 0.77 0.27 0.08 1.98 -0.23 0.00 0.00 178.00 180.87 3kof h MET 290 N 0.00 0.20 -0.25 0.86 1.85 -1.94 -2.59 114.93 113.06 3kof h MET 290 Ca -0.00 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.95 3kof h MET 290 Cb 0.52 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 3kof h MET 290 CO 0.04 0.21 -0.31 0.00 -0.40 0.00 0.00 176.91 176.45 3kof h ALA 291 N 0.98 1.01 0.01 0.39 0.00 -1.72 -0.03 119.26 119.90 3kof h ALA 291 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kof h ALA 291 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kof h ALA 291 CO -0.01 0.59 -0.11 0.28 0.00 0.00 0.00 179.25 180.01 3kof h VAL 292 N 0.44 0.74 0.43 0.00 2.07 -1.17 -1.93 116.25 116.83 3kof h VAL 292 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3kof h VAL 292 Cb 0.76 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3kof h VAL 292 CO 0.06 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 176.66 3kof h ASP 293 N -0.19 -0.49 0.36 0.57 3.58 -1.23 -3.20 116.42 115.81 3kof h ASP 293 Ca 0.04 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.28 3kof h ASP 293 Cb 0.23 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3kof h ASP 293 CO -0.10 -0.21 -0.55 0.11 -2.88 0.00 0.00 179.24 175.60 3kof h LYS 294 N -0.77 0.21 0.32 0.28 1.79 -0.94 -1.20 116.57 116.26 3kof h LYS 294 Ca -0.06 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3kof h LYS 294 Cb 0.54 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3kof h LYS 294 CO 0.10 0.71 -0.16 1.25 -1.08 0.00 0.00 179.45 180.27 3kof h LEU 295 N 0.16 -0.37 -0.82 2.94 5.85 -1.47 -2.04 115.31 119.56 3kof h LEU 295 Ca 0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3kof h LEU 295 Cb 1.02 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3kof h LEU 295 CO 0.08 -0.14 0.53 0.00 -0.34 0.00 0.00 178.44 178.58 3kof h ALA 296 N 0.04 1.07 -0.43 1.25 0.00 -1.52 -2.44 119.26 117.22 3kof h ALA 296 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kof h ALA 296 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kof h ALA 296 CO 0.07 0.39 0.08 1.49 0.00 0.00 0.00 179.25 181.28 3kof h GLU 297 N 1.06 0.71 -0.58 0.00 4.81 -1.21 -1.86 114.58 117.50 3kof h GLU 297 Ca 0.32 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3kof h GLU 297 Cb -0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3kof h GLU 297 CO -0.10 0.74 0.10 0.78 -0.73 0.00 0.00 179.01 179.80 3kof h GLY 298 N 0.57 1.03 0.99 1.92 0.00 -1.08 0.13 103.07 106.63 3kof h GLY 298 Ca 0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3kof h GLY 298 CO 0.01 0.63 0.26 -2.22 0.00 0.00 0.00 176.54 175.22 3kof h ILE 299 N 0.86 1.13 -0.19 2.60 2.04 -1.40 -1.91 117.51 120.63 3kof h ILE 299 Ca 0.18 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3kof h ILE 299 Cb 0.41 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3kof h ILE 299 CO 0.01 0.13 0.05 0.03 0.00 0.00 0.00 178.15 178.37 3kof h ARG 300 N 0.56 0.13 -0.60 2.37 3.08 -0.83 -1.17 114.38 117.92 3kof h ARG 300 Ca 0.15 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3kof h ARG 300 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3kof h ARG 300 CO -0.03 0.09 0.15 0.87 -1.07 0.00 0.00 179.97 179.98 3kof h LYS 301 N 0.14 0.96 -0.02 0.04 1.57 -0.94 -2.31 116.57 116.01 3kof h LYS 301 Ca 0.08 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3kof h LYS 301 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3kof h LYS 301 CO -0.10 0.88 -0.40 0.74 -0.57 0.00 0.00 179.45 180.00 3kof h PHE 302 N 0.87 0.04 -0.39 -1.35 0.04 -1.23 -1.86 116.94 113.06 3kof h PHE 302 Ca 0.19 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.83 3kof h PHE 302 Cb 0.35 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3kof h PHE 302 CO 0.02 0.43 -0.26 0.00 -0.60 0.00 0.00 178.31 177.90 3kof h ALA 303 N 1.57 0.82 -0.44 2.45 0.00 -0.93 -1.17 119.26 121.56 3kof h ALA 303 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3kof h ALA 303 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kof h ALA 303 CO 0.05 0.64 0.13 0.82 0.00 0.00 0.00 179.25 180.90 3kof h ILE 304 N 0.69 1.22 -0.99 0.00 2.04 -1.01 -1.55 117.51 117.91 3kof h ILE 304 Ca 0.09 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3kof h ILE 304 Cb 0.79 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3kof h ILE 304 CO 0.06 0.27 0.65 0.44 0.00 0.00 0.00 178.15 179.57 3kof h ASP 305 N 0.57 1.10 -0.48 1.72 3.32 -1.27 -0.19 116.42 121.20 3kof h ASP 305 Ca 0.14 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3kof h ASP 305 Cb 0.28 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3kof h ASP 305 CO -0.00 0.77 0.27 -0.61 -1.72 0.00 0.00 179.24 177.95 3kof h GLN 306 N 1.29 0.52 -0.49 3.56 5.75 -0.85 -0.74 115.11 124.14 3kof h GLN 306 Ca 0.38 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.84 3kof h GLN 306 Cb -0.06 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3kof h GLN 306 CO -0.11 0.34 0.25 0.93 -2.65 0.00 0.00 178.83 177.60 3kof h GLU 307 N 0.53 0.69 -0.74 1.69 5.08 -0.75 -1.67 114.58 119.41 3kof h GLU 307 Ca 0.20 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3kof h GLU 307 Cb 0.05 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3kof h GLU 307 CO -0.11 0.56 0.40 0.87 -1.00 0.00 0.00 179.01 179.73 3kof h LYS 308 N 0.64 1.03 -0.46 2.33 1.57 -0.84 -0.35 116.57 120.49 3kof h LYS 308 Ca 0.17 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3kof h LYS 308 Cb 0.08 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3kof h LYS 308 CO -0.02 0.78 0.28 1.25 -0.57 0.00 0.00 179.45 181.16 3kof h LEU 309 N 1.02 0.47 -1.15 2.94 6.46 -0.86 -1.19 115.31 123.00 3kof h LEU 309 Ca 0.26 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3kof h LEU 309 Cb 0.05 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.83 3kof h LEU 309 CO -0.04 0.34 0.55 -0.33 -0.62 0.00 0.00 178.44 178.34 3kof h GLU 310 N 0.57 1.12 -0.76 1.25 5.08 -0.96 -0.66 114.58 120.22 3kof h GLU 310 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3kof h GLU 310 Cb -0.01 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 3kof h GLU 310 CO -0.07 0.75 0.37 -0.22 -1.00 0.00 0.00 179.01 178.84 3kof h LYS 311 N 1.15 1.09 -0.08 2.33 1.63 -0.27 0.19 116.57 122.61 3kof h LYS 311 Ca 0.31 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3kof h LYS 311 Cb -0.12 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.31 3kof h LYS 311 CO -0.07 0.85 0.02 0.52 -3.45 0.00 0.00 179.45 177.32 3kof h MET 312 N 1.07 0.13 -0.62 1.90 2.86 -0.76 -2.23 114.93 117.29 3kof h MET 312 Ca 0.26 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 3kof h MET 312 Cb 0.11 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3kof h MET 312 CO -0.03 0.31 0.21 0.82 1.06 0.00 0.00 176.91 179.27 3kof h ILE 313 N -0.07 1.23 -0.77 -1.22 1.08 -1.02 -2.58 117.51 114.16 3kof h ILE 313 Ca 0.03 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3kof h ILE 313 Cb 0.23 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3kof h ILE 313 CO -0.00 0.30 0.31 1.23 -0.69 0.00 0.00 178.15 179.30 3kof h GLY 314 N 1.01 1.24 2.00 5.37 0.00 -0.55 -1.85 103.07 110.29 3kof h GLY 314 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kof h GLY 314 CO -0.01 0.63 0.00 1.22 0.00 0.00 0.00 176.54 178.38 3kof n ASP 315 N -4.28 0.64 -0.00 0.19 8.00 -0.84 -2.51 116.55 117.74 3kof n ASP 315 Ca 0.07 0.68 0.10 0.00 0.71 0.00 0.00 54.79 56.35 3kof n ASP 315 Cb 0.18 -0.81 -0.13 0.00 -0.02 0.00 0.00 41.12 40.35 3kof n ASP 315 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kof n LEU 316 N -2.23 0.78 0.00 0.64 4.77 -0.74 -5.10 117.00 115.12 3kof n LEU 316 Ca 0.01 -0.40 0.16 0.00 -0.03 0.00 0.00 56.01 55.75 3kof n LEU 316 Cb 0.19 0.00 0.94 0.00 -2.33 0.00 0.00 43.42 42.22 3kof n LEU 316 CO 0.18 0.19 1.10 0.18 -1.33 0.00 0.00 177.39 177.71