#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krx h LEU 4 N 0.00 0.99 -0.37 -4.62 5.85 -2.06 -3.23 115.31 111.87 3krx h LEU 4 Ca 0.00 -0.52 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 3krx h LEU 4 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3krx h LEU 4 CO 0.00 1.32 -0.07 0.44 -0.34 0.00 0.00 178.44 179.78 3krx h ASP 5 N 0.69 0.70 -0.70 1.25 3.32 -2.07 -3.13 116.42 116.48 3krx h ASP 5 Ca 0.02 -0.35 0.17 0.00 0.02 0.00 0.00 57.03 56.89 3krx h ASP 5 Cb 1.12 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 3krx h ASP 5 CO 0.12 0.89 0.48 -0.61 -1.72 0.00 0.00 179.24 178.40 3krx h GLN 6 N 0.49 0.18 0.00 3.56 4.15 -2.03 -1.89 115.11 119.57 3krx h GLN 6 Ca 0.09 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3krx h GLN 6 Cb 0.58 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3krx h GLN 6 CO 0.03 0.12 -1.72 1.28 -1.93 0.00 0.00 178.83 176.61 3krx n LEU 7 N -4.41 0.24 0.15 -2.39 4.77 -1.22 -4.15 117.00 109.99 3krx n LEU 7 Ca 0.14 0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3krx n LEU 7 Cb 0.64 -0.02 0.40 0.00 -2.33 0.00 0.00 43.42 42.12 3krx n LEU 7 CO 0.35 -0.05 0.88 0.03 -1.33 0.00 0.00 177.39 177.27 3krx h ARG 8 N 0.00 0.00 0.04 3.23 2.47 -1.29 0.62 114.38 119.46 3krx h ARG 8 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 3krx h ARG 8 Cb 1.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.33 3krx h ARG 8 CO 0.00 0.00 -0.71 1.96 0.56 0.00 0.00 179.97 181.78 3krx h GLN 9 N 0.00 0.40 0.00 0.04 4.20 -1.68 -3.25 115.11 114.82 3krx h GLN 9 Ca 0.00 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 3krx h GLN 9 Cb 0.69 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3krx h GLN 9 CO 0.00 1.16 -0.20 1.49 -0.67 0.00 0.00 178.83 180.61 3krx h GLU 10 N -0.14 0.00 0.00 1.46 4.81 -1.69 0.11 114.58 119.13 3krx h GLU 10 Ca -0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3krx h GLU 10 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3krx h GLU 10 CO 0.14 0.20 -0.16 0.00 -0.73 0.00 0.00 179.01 178.46 3krx h ALA 11 N 1.80 1.60 0.00 2.92 0.00 -0.93 -2.51 119.26 122.14 3krx h ALA 11 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3krx h ALA 11 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3krx h ALA 11 CO 0.03 0.20 -1.60 0.39 0.00 0.00 0.00 179.25 178.27 3krx n GLU 12 N -4.15 0.67 0.12 0.00 1.02 -1.09 -3.70 120.64 113.49 3krx n GLU 12 Ca -0.02 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3krx n GLU 12 Cb 0.23 -1.29 0.45 0.00 -0.02 0.00 0.00 31.44 30.82 3krx n GLU 12 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3krx h GLN 13 N 0.00 0.27 0.11 3.49 4.15 -0.77 -1.36 115.11 121.01 3krx h GLN 13 Ca -0.05 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 59.03 3krx h GLN 13 Cb 0.75 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3krx h GLN 13 CO 0.00 0.29 -1.47 -0.07 -1.93 0.00 0.00 178.83 175.65 3krx h LEU 14 N 0.27 0.37 -0.87 -2.39 3.38 -1.64 -2.59 115.31 111.83 3krx h LEU 14 Ca 0.06 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3krx h LEU 14 Cb 0.17 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3krx h LEU 14 CO 0.00 1.41 0.56 0.11 0.09 0.00 0.00 178.44 180.61 3krx h LYS 15 N 0.06 1.05 0.00 1.13 1.57 -1.60 -0.95 116.57 117.83 3krx h LYS 15 Ca -0.22 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 3krx h LYS 15 Cb 2.00 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 3krx h LYS 15 CO 0.17 0.69 -0.59 -0.91 -0.57 0.00 0.00 179.45 178.24 3krx h ASN 16 N 1.08 0.00 0.07 0.86 2.35 -1.34 -1.87 115.58 116.73 3krx h ASN 16 Ca 0.35 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 3krx h ASN 16 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3krx h ASN 16 CO -0.13 0.59 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.48 3krx h GLN 17 N 0.00 0.18 0.05 0.81 4.15 -1.00 -2.59 115.11 116.71 3krx h GLN 17 Ca -0.01 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 3krx h GLN 17 Cb 1.19 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.86 3krx h GLN 17 CO 0.08 0.34 -0.51 0.82 -1.93 0.00 0.00 178.83 177.62 3krx h ILE 18 N 0.17 1.53 0.04 2.39 2.04 -0.82 -1.79 117.51 121.06 3krx h ILE 18 Ca 0.03 -2.23 0.02 0.00 1.00 0.00 0.00 64.86 63.69 3krx h ILE 18 Cb 0.38 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 3krx h ILE 18 CO 0.02 0.62 -0.20 0.03 0.00 0.00 0.00 178.15 178.62 3krx h ARG 19 N -0.39 -0.34 -0.39 2.37 3.08 -1.36 -0.62 114.38 116.74 3krx h ARG 19 Ca -0.08 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3krx h ARG 19 Cb 1.31 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3krx h ARG 19 CO 0.10 -0.22 0.10 -0.44 -1.07 0.00 0.00 179.97 178.43 3krx h ASP 20 N -0.35 0.52 0.02 7.04 5.19 -1.58 -1.11 116.42 126.15 3krx h ASP 20 Ca 0.05 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 3krx h ASP 20 Cb 0.40 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3krx h ASP 20 CO -0.16 0.52 -0.12 0.00 -3.12 0.00 0.00 179.24 176.36 3krx h ALA 21 N 1.55 1.53 0.09 3.45 0.00 -0.70 -3.07 119.26 122.11 3krx h ALA 21 Ca 0.13 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3krx h ALA 21 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3krx h ALA 21 CO -0.00 0.34 -1.52 0.00 0.00 0.00 0.00 179.25 178.06 3krx h ARG 22 N 0.22 0.18 0.00 0.00 3.08 -0.42 -3.31 114.38 114.14 3krx h ARG 22 Ca 0.05 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3krx h ARG 22 Cb 0.35 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3krx h ARG 22 CO 0.02 1.01 -0.10 0.87 -1.07 0.00 0.00 179.97 180.70 3krx h LYS 23 N 0.05 0.00 0.00 0.04 1.57 -1.17 -1.83 116.57 115.23 3krx h LYS 23 Ca -0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3krx h LYS 23 Cb 1.99 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 3krx h LYS 23 CO 0.14 0.10 -0.01 0.00 -0.57 0.00 0.00 179.45 179.12 3krx h ALA 24 N 1.90 1.95 0.00 3.86 0.00 -1.62 -2.10 119.26 123.24 3krx h ALA 24 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3krx h ALA 24 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3krx h ALA 24 CO 0.01 0.01 -0.74 0.00 0.00 0.00 0.00 179.25 178.53 3krx n ALA 26 N -2.27 5.51 0.08 0.00 0.00 -0.79 -4.45 120.51 118.59 3krx n ALA 26 Ca -0.01 -2.59 -0.17 0.00 0.00 0.00 0.00 53.44 50.68 3krx n ALA 26 Cb 0.76 -3.17 -0.14 0.00 0.00 0.00 0.00 19.45 16.90 3krx n ALA 26 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3krx h ASP 27 N 6.00 0.42 -5.17 0.00 2.03 -1.80 -3.48 116.42 114.42 3krx h ASP 27 Ca 0.61 -0.51 -0.08 0.00 -0.73 0.00 0.00 57.03 56.31 3krx h ASP 27 Cb 0.24 -0.14 -0.13 0.00 -0.83 0.00 0.00 39.33 38.47 3krx h ASP 27 CO 1.59 1.42 -0.30 0.00 -1.03 0.00 0.00 179.24 180.92 3krx s ALA 28 N -2.63 -0.29 0.25 4.15 0.00 -1.26 -5.18 121.76 116.80 3krx s ALA 28 Ca -0.07 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3krx s ALA 28 Cb 0.07 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 3krx s ALA 28 CO 0.87 -0.57 0.26 0.95 0.00 0.00 0.00 175.76 177.27 3krx s THR 29 N -3.88 4.76 0.18 0.00 -4.23 -1.26 -5.03 115.64 106.18 3krx s THR 29 Ca 0.08 -1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 59.23 3krx s THR 29 Cb 0.04 -3.58 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3krx s THR 29 CO -0.08 -0.34 1.81 0.25 -0.54 0.00 0.00 174.62 175.72 3krx h LEU 30 N 1.36 0.74 -1.89 4.79 5.85 -1.95 -2.61 115.31 121.60 3krx h LEU 30 Ca -0.50 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3krx h LEU 30 Cb 1.24 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3krx h LEU 30 CO 0.61 0.59 -0.01 0.77 -0.34 0.00 0.00 178.44 180.06 3krx h SER 31 N 0.82 0.04 0.17 1.25 4.64 -1.87 0.46 113.55 119.06 3krx h SER 31 Ca 0.22 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3krx h SER 31 Cb -0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3krx h SER 31 CO -0.04 0.07 -0.08 1.56 -0.87 0.00 0.00 176.83 177.47 3krx h GLN 32 N 0.05 -0.22 -0.77 4.77 4.20 -1.86 -2.38 115.11 118.90 3krx h GLN 32 Ca 0.01 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3krx h GLN 32 Cb 0.06 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3krx h GLN 32 CO 0.00 0.17 0.48 0.82 -0.67 0.00 0.00 178.83 179.64 3krx h ILE 33 N -0.70 1.10 0.00 2.54 1.08 -1.08 -2.26 117.51 118.19 3krx h ILE 33 Ca -0.02 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3krx h ILE 33 Cb 0.50 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 3krx h ILE 33 CO 0.04 0.17 -0.04 0.71 -0.69 0.00 0.00 178.15 178.34 3krx h THR 34 N 0.94 0.09 0.00 -0.27 1.35 -1.02 -3.34 112.91 110.66 3krx h THR 34 Ca 0.31 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3krx h THR 34 Cb 0.03 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3krx h THR 34 CO -0.12 0.04 0.77 -1.13 -0.25 0.00 0.00 175.52 174.83 3krx h ASN 35 N 0.00 0.00 0.21 5.36 -1.24 -0.85 -0.89 115.58 118.18 3krx h ASN 35 Ca -0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 3krx h ASN 35 Cb 0.75 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.81 3krx h ASN 35 CO 0.01 0.00 -1.73 -1.13 -1.29 0.00 0.00 177.43 173.29 3krx h ASN 36 N 0.00 0.62 -4.15 1.15 -1.24 -1.79 -3.48 115.58 106.69 3krx h ASN 36 Ca 0.00 -0.90 -0.52 0.00 0.71 0.00 0.00 56.30 55.58 3krx h ASN 36 Cb 1.53 -0.20 0.12 0.00 0.73 0.00 0.00 38.32 40.50 3krx h ASN 36 CO 0.00 1.76 0.42 0.27 -1.29 0.00 0.00 177.43 178.59 3krx s ILE 37 N -2.58 2.77 0.44 2.57 -4.36 -0.34 -4.98 121.20 114.71 3krx s ILE 37 Ca -0.15 0.41 -0.25 0.00 -0.26 0.00 0.00 60.65 60.40 3krx s ILE 37 Cb 0.05 -3.03 -0.08 0.00 1.25 0.00 0.00 42.46 40.66 3krx s ILE 37 CO 0.86 -0.17 1.36 -1.81 0.24 0.00 0.00 174.94 175.42 3krx s ASP 38 N -2.03 6.04 0.81 4.36 1.11 -1.26 -5.00 116.67 120.70 3krx s ASP 38 Ca 0.73 2.78 -0.11 0.00 0.18 0.00 0.00 52.55 56.13 3krx s ASP 38 Cb -0.26 -2.64 0.08 0.00 1.07 0.00 0.00 42.92 41.16 3krx s ASP 38 CO 0.38 -1.05 1.12 -2.84 1.18 0.00 0.00 175.17 173.96 3krx s PRO 39 N -2.39 1.86 0.48 8.23 0.02 -1.26 -4.94 135.00 137.00 3krx s PRO 39 Ca 0.60 1.35 0.28 0.00 0.02 0.00 0.00 61.00 63.24 3krx s PRO 39 Cb -0.41 -1.84 0.84 0.00 0.02 0.00 0.00 34.50 33.11 3krx s PRO 39 CO 0.52 -1.97 1.79 -0.39 -0.33 0.00 0.00 177.00 176.62 3krx h VAL 40 N -1.26 0.08 -0.92 3.83 -1.51 -2.00 -3.50 116.25 110.97 3krx h VAL 40 Ca -0.44 -0.84 0.10 0.00 -1.23 0.00 0.00 66.70 64.29 3krx h VAL 40 Cb 1.25 1.78 -0.05 0.00 -2.13 0.00 0.00 31.29 32.14 3krx h VAL 40 CO 0.48 0.04 -0.30 0.61 -1.23 0.00 0.00 177.57 177.17 3krx n GLY 41 N 0.55 -2.50 3.68 5.19 0.00 -1.26 -4.82 105.19 106.02 3krx n GLY 41 Ca 0.02 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.22 3krx n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krx n ARG 42 N -2.79 2.28 -3.71 1.61 1.74 -1.26 -4.89 116.66 109.63 3krx n ARG 42 Ca -0.02 0.82 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 3krx n ARG 42 Cb 0.18 -2.60 -0.10 0.00 -1.02 0.00 0.00 32.46 28.92 3krx n ARG 42 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3krx s ILE 43 N 0.86 3.59 -1.05 0.55 1.01 -1.20 -5.03 121.20 119.94 3krx s ILE 43 Ca 0.77 -2.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 3krx s ILE 43 Cb -0.64 -3.42 0.22 0.00 0.01 0.00 0.00 42.46 38.63 3krx s ILE 43 CO 0.38 -0.75 1.12 -1.10 0.00 0.00 0.00 174.94 174.59 3krx s GLN 44 N 0.98 3.96 0.06 2.79 -0.21 -1.26 -4.56 119.66 121.42 3krx s GLN 44 Ca 0.09 -2.68 -0.30 0.00 0.02 0.00 0.00 55.36 52.49 3krx s GLN 44 Cb -0.23 -4.71 -0.05 0.00 1.00 0.00 0.00 33.01 29.02 3krx s GLN 44 CO -0.03 -1.46 0.99 -1.64 -2.12 0.00 0.00 175.29 171.02 3krx s MET 45 N 0.34 4.62 0.08 2.91 -1.94 -1.26 -5.04 119.30 119.00 3krx s MET 45 Ca 0.31 1.47 0.01 0.00 -1.71 0.00 0.00 55.69 55.76 3krx s MET 45 Cb -0.07 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 3krx s MET 45 CO -0.06 0.07 0.21 1.03 -0.01 0.00 0.00 175.02 176.26 3krx s ARG 46 N 0.47 3.38 -0.17 2.03 0.52 0.78 -4.84 118.95 121.12 3krx s ARG 46 Ca 0.50 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 3krx s ARG 46 Cb -0.23 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 3krx s ARG 46 CO 0.29 0.59 1.45 -0.08 0.02 0.00 0.00 175.30 177.57 3krx s THR 47 N -1.54 3.95 -0.10 0.02 -1.32 -1.26 -1.83 115.64 113.57 3krx s THR 47 Ca 0.34 1.12 0.20 0.00 -1.21 0.00 0.00 61.69 62.15 3krx s THR 47 Cb -0.13 -3.81 -0.30 0.00 -1.51 0.00 0.00 72.50 66.75 3krx s THR 47 CO 0.27 -0.20 0.34 0.54 -2.21 0.00 0.00 174.62 173.36 3krx n ARG 48 N 7.07 0.67 -3.96 7.08 5.12 0.14 -4.95 116.66 127.84 3krx n ARG 48 Ca 0.16 -0.12 -0.11 0.00 -1.93 0.00 0.00 57.85 55.85 3krx n ARG 48 Cb 0.45 -1.53 -0.12 0.00 -1.16 0.00 0.00 32.46 30.10 3krx n ARG 48 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3krx s ARG 49 N -3.13 0.23 -0.20 5.56 1.81 -1.04 -4.97 118.95 117.20 3krx s ARG 49 Ca -0.09 -0.38 -0.01 0.00 -1.72 0.00 0.00 55.73 53.54 3krx s ARG 49 Cb 0.11 -0.00 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 3krx s ARG 49 CO 0.88 -0.01 -0.12 0.99 -0.68 0.00 0.00 175.30 176.35 3krx s THR 50 N -0.84 2.65 -0.40 0.02 2.01 -1.26 -1.52 115.64 116.29 3krx s THR 50 Ca -0.09 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 3krx s THR 50 Cb -0.06 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.28 3krx s THR 50 CO -0.00 0.45 0.50 -0.76 -0.69 0.00 0.00 174.62 174.12 3krx s LEU 51 N 1.36 4.63 -0.10 4.42 1.43 -0.37 -5.00 118.68 125.05 3krx s LEU 51 Ca 0.05 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3krx s LEU 51 Cb -0.14 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3krx s LEU 51 CO -0.08 -0.60 -0.15 -0.60 0.23 0.00 0.00 176.35 175.15 3krx s ARG 52 N 2.37 3.09 0.00 1.70 3.52 -1.26 -2.55 118.95 125.82 3krx s ARG 52 Ca 0.16 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3krx s ARG 52 Cb -0.16 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3krx s ARG 52 CO 0.15 0.32 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 3krx n GLY 53 N 3.21 0.08 3.76 8.12 0.00 -1.26 -5.10 105.19 114.00 3krx n GLY 53 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3krx n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krx s HIS 54 N 0.00 2.40 -2.78 1.61 3.76 -1.26 -4.93 115.29 114.09 3krx s HIS 54 Ca 0.00 1.27 0.24 0.00 -0.15 0.00 0.00 55.06 56.42 3krx s HIS 54 Cb 0.00 -3.92 0.15 0.00 1.11 0.00 0.00 32.58 29.92 3krx s HIS 54 CO 0.00 -3.00 1.23 1.28 -0.85 0.00 0.00 174.74 173.40 3krx n LEU 55 N -0.36 2.77 0.00 0.89 4.77 -1.26 -4.86 117.00 118.96 3krx n LEU 55 Ca 0.06 -0.94 -0.02 0.00 -0.03 0.00 0.00 56.01 55.08 3krx n LEU 55 Cb 0.42 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3krx n LEU 55 CO 0.58 0.47 0.10 0.00 -1.33 0.00 0.00 177.39 177.21 3krx n ALA 56 N 1.04 -0.34 -1.48 -1.18 0.00 -1.26 -4.92 120.51 112.36 3krx n ALA 56 Ca 0.13 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 3krx n ALA 56 Cb 0.57 0.19 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 3krx n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3krx n LYS 57 N -0.10 0.67 -3.57 0.00 5.02 -1.26 -4.44 118.16 114.48 3krx n LYS 57 Ca -0.02 0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 56.13 3krx n LYS 57 Cb 0.11 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 3krx n LYS 57 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3krx s ILE 58 N -1.22 5.17 -0.04 -0.18 1.01 -1.03 -0.22 121.20 124.69 3krx s ILE 58 Ca 0.62 0.69 0.07 0.00 0.00 0.00 0.00 60.65 62.02 3krx s ILE 58 Cb -0.72 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3krx s ILE 58 CO 0.58 0.54 0.09 -1.22 0.00 0.00 0.00 174.94 174.94 3krx n TYR 59 N 2.22 0.00 -3.63 3.97 0.53 -1.12 -4.33 117.16 114.79 3krx n TYR 59 Ca -0.14 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.62 3krx n TYR 59 Cb 0.53 -0.26 -0.07 0.00 -1.03 0.00 0.00 39.34 38.51 3krx n TYR 59 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3krx s ALA 60 N -2.35 -1.86 0.30 -0.72 0.00 -1.25 -4.70 121.76 111.18 3krx s ALA 60 Ca -0.03 2.04 0.03 0.00 0.00 0.00 0.00 51.96 53.99 3krx s ALA 60 Cb 0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 3krx s ALA 60 CO 0.30 -0.32 0.09 0.00 0.00 0.00 0.00 175.76 175.83 3krx s MET 61 N 0.51 1.57 -0.30 0.00 0.23 -1.26 -0.61 119.30 119.44 3krx s MET 61 Ca -0.01 -1.87 -0.15 0.00 -1.03 0.00 0.00 55.69 52.64 3krx s MET 61 Cb -0.05 -0.53 0.15 0.00 -1.53 0.00 0.00 34.83 32.87 3krx s MET 61 CO -0.04 -0.28 0.93 -1.58 -2.03 0.00 0.00 175.02 172.03 3krx s HIS 62 N -3.51 -0.76 0.67 3.16 2.46 -0.53 -4.89 115.29 111.89 3krx s HIS 62 Ca 0.36 1.36 -0.16 0.00 0.47 0.00 0.00 55.06 57.09 3krx s HIS 62 Cb 0.08 0.46 0.01 0.00 -0.13 0.00 0.00 32.58 32.99 3krx s HIS 62 CO 0.15 -0.38 1.16 -1.58 -2.47 0.00 0.00 174.74 171.62 3krx s TRP 63 N 2.26 2.37 0.58 3.88 0.52 -1.26 -1.43 118.94 125.86 3krx s TRP 63 Ca -0.05 1.57 -0.04 0.00 0.02 0.00 0.00 56.10 57.60 3krx s TRP 63 Cb -0.06 -3.33 0.02 0.00 -1.15 0.00 0.00 33.47 28.94 3krx s TRP 63 CO -0.17 -2.11 0.87 0.20 0.02 0.00 0.00 176.95 175.76 3krx s GLY 64 N -2.21 1.64 0.55 0.98 0.00 0.26 -4.70 107.32 103.85 3krx s GLY 64 Ca 0.71 -0.87 0.33 0.00 0.00 0.00 0.00 44.72 44.90 3krx s GLY 64 CO 0.41 -0.59 2.05 -0.91 0.00 0.00 0.00 173.10 174.07 3krx h THR 65 N -0.12 0.18 0.00 0.90 1.35 -1.83 -2.77 112.91 110.62 3krx h THR 65 Ca -0.45 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3krx h THR 65 Cb 1.27 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3krx h THR 65 CO 0.59 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 3krx n ASP 66 N -3.23 0.00 -2.01 5.36 3.85 -1.26 -4.79 116.55 114.47 3krx n ASP 66 Ca -0.01 -0.04 -0.20 0.00 -0.71 0.00 0.00 54.79 53.84 3krx n ASP 66 Cb 0.27 -0.30 -0.04 0.00 -1.35 0.00 0.00 41.12 39.70 3krx n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3krx n SER 67 N -1.30 -5.59 0.03 -1.12 7.64 -1.05 -4.80 113.62 107.44 3krx n SER 67 Ca 0.12 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3krx n SER 67 Cb 0.22 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 3krx n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3krx n ARG 68 N -2.74 0.00 -3.23 1.43 0.63 -1.26 -5.01 116.66 106.48 3krx n ARG 68 Ca -0.22 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.38 3krx n ARG 68 Cb 0.67 -0.28 -0.06 0.00 0.45 0.00 0.00 32.46 33.24 3krx n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3krx s LEU 69 N -6.02 4.12 -0.10 6.15 1.43 -1.26 -2.21 118.68 120.79 3krx s LEU 69 Ca 0.00 1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 54.12 3krx s LEU 69 Cb 0.00 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.35 3krx s LEU 69 CO 0.00 -0.14 0.39 -1.48 0.23 0.00 0.00 176.35 175.35 3krx s LEU 70 N -2.85 0.52 0.14 1.79 2.34 -1.11 -0.57 118.68 118.94 3krx s LEU 70 Ca 0.51 0.58 -0.03 0.00 0.06 0.00 0.00 54.13 55.25 3krx s LEU 70 Cb -0.11 1.41 -0.05 0.00 -0.56 0.00 0.00 46.19 46.88 3krx s LEU 70 CO 0.19 -0.26 0.34 -0.69 -1.06 0.00 0.00 176.35 174.86 3krx s VAL 71 N -0.35 5.23 -0.10 1.48 1.01 -0.51 -1.32 120.40 125.83 3krx s VAL 71 Ca -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3krx s VAL 71 Cb -0.03 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3krx s VAL 71 CO 0.02 0.01 0.20 -0.94 0.00 0.00 0.00 175.10 174.39 3krx s SER 72 N -2.64 0.35 0.38 3.32 1.04 -0.42 -1.46 113.70 114.28 3krx s SER 72 Ca 0.39 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.15 3krx s SER 72 Cb -0.12 0.41 -0.07 0.00 0.10 0.00 0.00 66.02 66.35 3krx s SER 72 CO 0.27 -0.22 0.73 0.00 0.98 0.00 0.00 173.24 175.00 3krx s ALA 73 N 2.01 3.39 -0.07 5.32 0.00 0.22 -2.25 121.76 130.38 3krx s ALA 73 Ca -0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 3krx s ALA 73 Cb -0.12 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.39 3krx s ALA 73 CO -0.07 0.08 0.45 0.45 0.00 0.00 0.00 175.76 176.66 3krx s SER 74 N -3.03 -0.39 0.58 0.00 0.15 -1.18 -2.79 113.70 107.04 3krx s SER 74 Ca 0.51 0.49 0.28 0.00 0.70 0.00 0.00 55.95 57.92 3krx s SER 74 Cb -0.10 0.55 1.54 0.00 -1.71 0.00 0.00 66.02 66.30 3krx s SER 74 CO 0.29 -0.41 2.02 -0.61 1.20 0.00 0.00 173.24 175.74 3krx h GLN 75 N 4.09 0.00 0.00 5.44 4.15 -0.83 -1.19 115.11 126.77 3krx h GLN 75 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3krx h GLN 75 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3krx h GLN 75 CO 0.34 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 176.84 3krx n ASP 76 N -3.91 0.00 0.00 -0.69 3.85 -1.26 -4.85 116.55 109.69 3krx n ASP 76 Ca 0.05 -0.44 0.00 0.00 -0.71 0.00 0.00 54.79 53.69 3krx n ASP 76 Cb 0.47 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 3krx n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3krx n GLY 77 N -0.12 0.69 3.49 6.12 0.00 -0.45 -4.98 105.19 109.94 3krx n GLY 77 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3krx n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krx s LYS 78 N -0.18 2.26 0.07 1.61 1.02 -1.26 -0.70 119.74 122.55 3krx s LYS 78 Ca 0.00 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 3krx s LYS 78 Cb 0.00 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 3krx s LYS 78 CO 0.00 0.57 0.41 -0.51 -0.92 0.00 0.00 175.35 174.90 3krx s LEU 79 N -1.33 4.37 -0.01 3.17 1.43 0.71 -3.09 118.68 123.93 3krx s LEU 79 Ca 0.15 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 3krx s LEU 79 Cb -0.11 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 3krx s LEU 79 CO 0.05 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 176.03 3krx s ILE 80 N -1.35 1.26 -0.29 -0.59 1.01 -0.96 -0.45 121.20 119.84 3krx s ILE 80 Ca 0.32 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3krx s ILE 80 Cb -0.14 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3krx s ILE 80 CO 0.17 0.36 0.05 -0.63 0.00 0.00 0.00 174.94 174.89 3krx s ILE 81 N -0.33 3.63 0.17 2.92 1.01 -0.34 -1.30 121.20 126.95 3krx s ILE 81 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3krx s ILE 81 Cb -0.07 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3krx s ILE 81 CO -0.00 0.06 0.32 0.26 0.00 0.00 0.00 174.94 175.58 3krx s TRP 82 N 1.43 3.49 -0.50 3.97 0.52 -0.44 0.88 118.94 128.30 3krx s TRP 82 Ca 0.01 0.20 -0.13 0.00 0.02 0.00 0.00 56.10 56.19 3krx s TRP 82 Cb -0.18 -1.73 0.11 0.00 -1.15 0.00 0.00 33.47 30.52 3krx s TRP 82 CO 0.01 0.47 0.41 0.34 0.02 0.00 0.00 176.95 178.19 3krx s ASP 83 N -3.21 5.98 0.42 2.95 3.68 0.12 -2.74 116.67 123.87 3krx s ASP 83 Ca 0.36 -1.71 0.08 0.00 2.13 0.00 0.00 52.55 53.41 3krx s ASP 83 Cb -0.11 -2.12 0.90 0.00 -1.45 0.00 0.00 42.92 40.14 3krx s ASP 83 CO 0.29 -0.74 2.07 0.77 0.13 0.00 0.00 175.17 177.68 3krx h SER 84 N 8.69 0.42 0.14 -0.34 4.64 -1.73 0.29 113.55 125.66 3krx h SER 84 Ca -0.26 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3krx h SER 84 Cb 1.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3krx h SER 84 CO 0.93 0.31 -0.25 1.88 -0.87 0.00 0.00 176.83 178.83 3krx h TYR 85 N 0.50 0.21 0.00 4.77 -1.99 -1.94 -3.35 116.97 115.17 3krx h TYR 85 Ca 0.14 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3krx h TYR 85 Cb -0.05 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.63 3krx h TYR 85 CO -0.00 0.44 -0.26 0.25 -0.00 0.00 0.00 178.16 178.59 3krx n THR 86 N -4.18 0.00 0.00 -2.88 -2.24 -0.89 -5.02 114.28 99.08 3krx n THR 86 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3krx n THR 86 Cb 0.35 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3krx n THR 86 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3krx n THR 87 N -1.01 0.00 -1.83 4.28 -1.04 0.97 -5.03 114.28 110.62 3krx n THR 87 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 3krx n THR 87 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3krx n THR 87 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3krx s ASN 88 N -2.22 5.82 -0.09 8.00 0.01 -1.23 -4.69 114.94 120.55 3krx s ASN 88 Ca 0.00 2.86 -0.20 0.00 -0.71 0.00 0.00 52.86 54.81 3krx s ASN 88 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 3krx s ASN 88 CO 0.00 -1.21 0.55 -0.54 -1.51 0.00 0.00 177.10 174.39 3krx s LYS 89 N -2.51 4.35 -0.09 -0.60 1.02 -1.26 0.10 119.74 120.76 3krx s LYS 89 Ca 0.62 0.61 -0.18 0.00 0.02 0.00 0.00 55.97 57.04 3krx s LYS 89 Cb -0.42 -3.42 -0.28 0.00 -0.52 0.00 0.00 37.83 33.18 3krx s LYS 89 CO 0.54 0.17 0.66 0.28 -0.92 0.00 0.00 175.35 176.08 3krx h VAL 90 N 4.63 1.20 -2.95 3.17 2.07 0.18 -3.47 116.25 121.08 3krx h VAL 90 Ca -0.42 -2.44 -0.15 0.00 0.82 0.00 0.00 66.70 64.51 3krx h VAL 90 Cb 1.19 2.87 -0.26 0.00 -1.52 0.00 0.00 31.29 33.58 3krx h VAL 90 CO 0.74 0.69 -0.36 -1.00 0.02 0.00 0.00 177.57 177.67 3krx s HIS 91 N -2.45 -0.37 -0.40 1.57 3.76 -1.16 -5.00 115.29 111.25 3krx s HIS 91 Ca -0.18 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.57 3krx s HIS 91 Cb 0.03 0.12 0.10 0.00 1.11 0.00 0.00 32.58 33.94 3krx s HIS 91 CO 0.78 -0.19 0.19 0.00 -0.85 0.00 0.00 174.74 174.67 3krx s ALA 92 N 0.41 3.14 -0.30 -1.40 0.00 -1.26 -1.20 121.76 121.15 3krx s ALA 92 Ca -0.02 -2.34 -0.14 0.00 0.00 0.00 0.00 51.96 49.46 3krx s ALA 92 Cb -0.04 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3krx s ALA 92 CO -0.02 -1.70 0.33 0.42 0.00 0.00 0.00 175.76 174.79 3krx s ILE 93 N 1.23 5.20 -0.15 0.00 1.01 0.41 -4.98 121.20 123.92 3krx s ILE 93 Ca 0.05 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 3krx s ILE 93 Cb -0.23 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3krx s ILE 93 CO -0.02 0.10 0.57 -2.16 0.00 0.00 0.00 174.94 173.42 3krx s PRO 94 N 1.99 4.29 0.71 2.79 0.04 -1.26 -0.21 135.00 143.35 3krx s PRO 94 Ca 0.12 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 61.62 3krx s PRO 94 Cb -0.16 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 30.91 3krx s PRO 94 CO 0.11 -0.03 1.08 -0.51 0.04 0.00 0.00 177.00 177.68 3krx s LEU 95 N 1.22 2.85 0.00 -3.56 1.43 0.12 -4.98 118.68 115.76 3krx s LEU 95 Ca 0.28 0.93 0.26 0.00 -1.03 0.00 0.00 54.13 54.58 3krx s LEU 95 Cb -0.16 -3.65 0.75 0.00 0.03 0.00 0.00 46.19 43.16 3krx s LEU 95 CO 0.11 -1.45 1.56 0.54 0.23 0.00 0.00 176.35 177.35 3krx n ARG 96 N -3.01 1.18 -3.85 1.70 1.74 -1.26 -4.81 116.66 108.35 3krx n ARG 96 Ca 0.07 -0.74 -0.15 0.00 -0.77 0.00 0.00 57.85 56.26 3krx n ARG 96 Cb 0.58 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.38 3krx n ARG 96 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3krx s SER 97 N -2.33 0.18 0.46 0.55 0.15 -1.26 -5.05 113.70 106.41 3krx s SER 97 Ca 0.28 0.01 0.26 0.00 0.70 0.00 0.00 55.95 57.20 3krx s SER 97 Cb 0.20 -0.10 0.91 0.00 -1.71 0.00 0.00 66.02 65.31 3krx s SER 97 CO 0.46 -0.09 1.81 0.28 1.20 0.00 0.00 173.24 176.90 3krx h SER 98 N 7.04 0.00 -0.81 5.45 0.02 -1.91 -3.37 113.55 119.98 3krx h SER 98 Ca -0.41 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.09 3krx h SER 98 Cb 1.14 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.54 3krx h SER 98 CO 0.49 0.15 0.46 0.79 -1.14 0.00 0.00 176.83 177.58 3krx n TRP 99 N -3.25 1.33 -2.63 3.45 7.02 -1.26 -4.42 117.44 117.68 3krx n TRP 99 Ca 0.01 -1.94 -0.33 0.00 -1.02 0.00 0.00 57.50 54.22 3krx n TRP 99 Cb 0.43 -1.49 -0.05 0.00 -2.42 0.00 0.00 31.31 27.78 3krx n TRP 99 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3krx s VAL 100 N -1.33 4.13 0.00 -0.99 0.11 -1.26 -1.83 120.40 119.23 3krx s VAL 100 Ca 0.61 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 3krx s VAL 100 Cb 0.35 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 3krx s VAL 100 CO -0.16 -0.33 0.00 0.23 -3.33 0.00 0.00 175.10 171.51 3krx n MET 101 N -0.94 0.63 -4.60 1.54 2.81 0.00 -4.78 117.12 111.79 3krx n MET 101 Ca 0.08 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.70 3krx n MET 101 Cb 0.53 -0.71 -0.09 0.00 -0.71 0.00 0.00 33.22 32.24 3krx n MET 101 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3krx s THR 102 N -1.42 1.16 0.15 2.03 -1.32 -1.02 -4.09 115.64 111.13 3krx s THR 102 Ca 0.00 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.23 3krx s THR 102 Cb 0.00 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.54 3krx s THR 102 CO 0.00 0.00 0.87 0.00 -2.21 0.00 0.00 174.62 173.28 3krx s ALA 104 N -3.42 -1.87 -0.13 0.00 0.00 -0.38 -4.76 121.76 111.21 3krx s ALA 104 Ca 0.10 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.67 3krx s ALA 104 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3krx s ALA 104 CO -0.00 -0.32 -0.01 -0.47 0.00 0.00 0.00 175.76 174.96 3krx s TYR 105 N -0.60 3.10 0.43 0.00 6.14 -1.26 -0.76 117.35 124.39 3krx s TYR 105 Ca -0.03 -0.04 -0.25 0.00 0.64 0.00 0.00 57.07 57.39 3krx s TYR 105 Cb -0.02 -1.89 -0.08 0.00 0.42 0.00 0.00 41.96 40.39 3krx s TYR 105 CO 0.02 0.21 1.30 0.00 0.64 0.00 0.00 175.55 177.72 3krx s ALA 106 N -0.18 3.17 0.37 3.97 0.00 -0.78 -4.70 121.76 123.60 3krx s ALA 106 Ca 0.04 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.31 3krx s ALA 106 Cb -0.13 -3.49 0.80 0.00 0.00 0.00 0.00 23.12 20.30 3krx s ALA 106 CO 0.02 -0.90 1.94 -1.35 0.00 0.00 0.00 175.76 175.47 3krx h PRO 107 N 2.43 0.67 -0.04 0.00 0.11 -1.90 -1.02 132.00 132.25 3krx h PRO 107 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3krx h PRO 107 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3krx h PRO 107 CO 0.61 0.45 -0.14 0.66 -0.21 0.00 0.00 178.00 179.37 3krx h SER 108 N 0.69 0.06 0.00 -2.05 4.64 -1.95 -3.41 113.55 111.53 3krx h SER 108 Ca 0.34 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3krx h SER 108 Cb 0.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3krx h SER 108 CO -0.12 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3krx n GLY 109 N -1.04 0.65 0.12 -0.77 0.00 -0.39 -4.91 105.19 98.85 3krx n GLY 109 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3krx n GLY 109 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3krx h ASN 110 N 0.00 0.00 -4.68 1.61 2.35 -1.91 -3.47 115.58 109.49 3krx h ASN 110 Ca 0.00 -0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 55.47 3krx h ASN 110 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 3krx h ASN 110 CO 0.00 0.02 -0.71 -0.31 -1.65 0.00 0.00 177.43 174.79 3krx s TYR 111 N -3.30 0.81 0.16 1.19 2.02 -1.26 -0.32 117.35 116.65 3krx s TYR 111 Ca 0.02 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 55.94 3krx s TYR 111 Cb 0.10 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 3krx s TYR 111 CO 0.75 -0.14 -0.04 0.14 -1.57 0.00 0.00 175.55 174.69 3krx s VAL 112 N -3.02 0.88 0.13 0.71 -7.23 -0.50 -1.86 120.40 109.50 3krx s VAL 112 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 3krx s VAL 112 Cb 0.01 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3krx s VAL 112 CO -0.04 -0.61 -0.09 0.00 -0.31 0.00 0.00 175.10 174.05 3krx s ALA 113 N -3.52 1.28 0.30 1.32 0.00 0.06 0.37 121.76 121.57 3krx s ALA 113 Ca 0.20 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 3krx s ALA 113 Cb 0.05 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.30 3krx s ALA 113 CO 0.02 -0.13 0.79 0.00 0.00 0.00 0.00 175.76 176.44 3krx n GLY 115 N -0.54 0.81 0.00 0.00 0.00 -1.22 -1.05 105.19 103.19 3krx n GLY 115 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3krx n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krx n GLY 116 N -1.01 1.21 0.04 -0.02 0.00 -1.25 -0.81 105.19 103.34 3krx n GLY 116 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.40 3krx n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krx n LEU 117 N 0.00 0.22 0.16 0.99 4.77 -0.76 -1.00 117.00 121.38 3krx n LEU 117 Ca 0.00 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 3krx n LEU 117 Cb 0.00 -0.54 0.59 0.00 -2.33 0.00 0.00 43.42 41.14 3krx n LEU 117 CO 0.00 -0.40 0.86 -2.24 -1.33 0.00 0.00 177.39 174.28 3krx h ASP 118 N 0.00 0.00 -2.10 -1.43 2.03 -1.94 -3.45 116.42 109.52 3krx h ASP 118 Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 3krx h ASP 118 Cb 0.24 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.69 3krx h ASP 118 CO 0.00 0.00 -0.43 0.59 -1.03 0.00 0.00 179.24 178.37 3krx n ASN 119 N -2.31 -5.24 -3.89 4.15 3.02 -0.17 -4.99 115.26 105.84 3krx n ASN 119 Ca -0.00 0.11 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 3krx n ASN 119 Cb 0.10 -4.32 -0.15 0.00 -0.61 0.00 0.00 39.78 34.81 3krx n ASN 119 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3krx s ILE 120 N -2.84 0.27 -0.47 2.41 1.01 -1.26 -4.32 121.20 116.00 3krx s ILE 120 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 3krx s ILE 120 Cb 0.00 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.24 3krx s ILE 120 CO 0.00 0.12 0.50 0.00 0.00 0.00 0.00 174.94 175.56 3krx s SER 122 N 2.39 6.63 -0.24 0.00 0.01 -0.21 -1.57 113.70 120.71 3krx s SER 122 Ca 0.11 0.75 -0.07 0.00 1.31 0.00 0.00 55.95 58.04 3krx s SER 122 Cb -0.20 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 3krx s SER 122 CO 0.11 0.05 0.07 -0.63 0.41 0.00 0.00 173.24 173.25 3krx s ILE 123 N 0.46 4.45 -0.11 1.44 1.09 0.37 -2.04 121.20 126.86 3krx s ILE 123 Ca 0.23 -0.13 -0.04 0.00 -1.10 0.00 0.00 60.65 59.61 3krx s ILE 123 Cb -0.15 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 38.15 3krx s ILE 123 CO 0.09 0.36 0.05 -0.31 -0.10 0.00 0.00 174.94 175.02 3krx s TYR 124 N 1.38 3.29 -0.44 3.97 1.51 0.16 -1.03 117.35 126.18 3krx s TYR 124 Ca 0.05 0.26 -0.17 0.00 -1.01 0.00 0.00 57.07 56.21 3krx s TYR 124 Cb -0.15 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.87 3krx s TYR 124 CO 0.04 0.50 0.41 1.21 -1.11 0.00 0.00 175.55 176.60 3krx s ASN 125 N -0.75 6.17 0.00 2.29 3.04 -0.60 -1.41 114.94 123.68 3krx s ASN 125 Ca 0.12 -0.88 0.22 0.00 0.04 0.00 0.00 52.86 52.37 3krx s ASN 125 Cb -0.12 -2.21 1.25 0.00 -1.54 0.00 0.00 41.25 38.64 3krx s ASN 125 CO 0.03 -0.59 1.70 0.18 -3.04 0.00 0.00 177.10 175.38 3krx n LEU 126 N 5.47 0.00 -3.25 3.21 4.77 0.56 -3.76 117.00 124.01 3krx n LEU 126 Ca -0.09 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 3krx n LEU 126 Cb 0.46 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3krx n LEU 126 CO 0.46 -0.03 0.00 -0.75 -1.33 0.00 0.00 177.39 175.74 3krx s LYS 127 N -2.19 0.77 1.16 3.23 2.47 -1.26 -4.92 119.74 119.00 3krx s LYS 127 Ca 0.29 -0.53 -0.19 0.00 -1.56 0.00 0.00 55.97 53.98 3krx s LYS 127 Cb 0.15 -0.21 0.28 0.00 -1.46 0.00 0.00 37.83 36.59 3krx s LYS 127 CO 0.28 -1.20 1.18 0.95 0.16 0.00 0.00 175.35 176.73 3krx s THR 128 N 1.63 1.68 -1.37 3.43 -4.23 -1.26 -4.92 115.64 110.61 3krx s THR 128 Ca 0.17 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.84 3krx s THR 128 Cb -0.08 -2.65 0.25 0.00 1.34 0.00 0.00 72.50 71.37 3krx s THR 128 CO -0.05 0.00 1.45 0.54 -0.54 0.00 0.00 174.62 176.01 3krx n ARG 129 N -4.54 0.19 -0.02 3.99 1.74 -1.26 -3.66 116.66 113.11 3krx n ARG 129 Ca 0.15 0.15 -0.03 0.00 -0.77 0.00 0.00 57.85 57.35 3krx n ARG 129 Cb 0.60 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 3krx n ARG 129 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3krx n GLU 130 N -1.32 0.18 0.00 5.56 2.13 -1.26 -5.08 120.64 120.85 3krx n GLU 130 Ca 0.07 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3krx n GLU 130 Cb 0.13 -0.72 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3krx n GLU 130 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krx n GLY 131 N 2.39 0.99 3.64 8.31 0.00 -1.24 -5.13 105.19 114.14 3krx n GLY 131 Ca -0.05 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 3krx n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3krx n ASN 132 N 0.00 2.34 -4.67 1.61 3.02 -1.26 -4.56 115.26 111.74 3krx n ASN 132 Ca 0.00 1.13 -0.42 0.00 -0.03 0.00 0.00 54.58 55.27 3krx n ASN 132 Cb 0.00 -1.36 -0.04 0.00 -0.61 0.00 0.00 39.78 37.78 3krx n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3krx s VAL 133 N 0.03 4.85 0.12 2.41 1.01 -1.26 -4.05 120.40 123.51 3krx s VAL 133 Ca 0.71 1.74 0.04 0.00 0.00 0.00 0.00 61.98 64.47 3krx s VAL 133 Cb -0.72 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 3krx s VAL 133 CO 0.49 0.02 -0.09 -0.13 0.00 0.00 0.00 175.10 175.38 3krx s ARG 134 N 2.15 0.96 -0.00 2.72 0.52 -1.25 -4.99 118.95 119.06 3krx s ARG 134 Ca 0.41 -1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 3krx s ARG 134 Cb -0.17 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 3krx s ARG 134 CO 0.13 0.06 1.17 0.08 0.02 0.00 0.00 175.30 176.76 3krx s VAL 135 N -3.17 4.26 -0.39 3.52 1.01 -1.26 -1.56 120.40 122.80 3krx s VAL 135 Ca 0.13 1.60 0.14 0.00 0.00 0.00 0.00 61.98 63.85 3krx s VAL 135 Cb 0.02 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 3krx s VAL 135 CO -0.01 0.06 0.48 -1.54 0.00 0.00 0.00 175.10 174.09 3krx n SER 136 N 4.54 1.09 -3.62 3.32 3.41 -0.20 -4.92 113.62 117.24 3krx n SER 136 Ca 0.09 -0.48 -0.07 0.00 -0.26 0.00 0.00 58.87 58.15 3krx n SER 136 Cb 0.47 1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 65.64 3krx n SER 136 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3krx s ARG 137 N -2.60 0.39 -0.07 4.33 6.06 -1.17 -5.00 118.95 120.90 3krx s ARG 137 Ca 0.01 0.25 0.01 0.00 -2.50 0.00 0.00 55.73 53.50 3krx s ARG 137 Cb 0.10 0.19 -0.03 0.00 0.06 0.00 0.00 34.95 35.27 3krx s ARG 137 CO 0.58 -0.09 -0.08 -1.21 -2.50 0.00 0.00 175.30 172.01 3krx s GLU 138 N -0.48 2.74 -0.71 5.12 2.02 -1.26 -0.48 118.70 125.64 3krx s GLU 138 Ca 0.03 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3krx s GLU 138 Cb -0.03 -2.57 0.18 0.00 0.10 0.00 0.00 34.13 31.81 3krx s GLU 138 CO -0.05 0.64 0.54 -0.51 0.02 0.00 0.00 175.26 175.90 3krx s LEU 139 N -0.76 5.25 0.10 1.80 1.43 -0.61 -4.96 118.68 120.94 3krx s LEU 139 Ca 0.12 -3.22 -0.23 0.00 -1.03 0.00 0.00 54.13 49.76 3krx s LEU 139 Cb -0.11 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 3krx s LEU 139 CO 0.01 -0.28 0.69 0.00 0.23 0.00 0.00 176.35 177.00 3krx s ALA 140 N -0.60 3.49 0.00 4.21 0.00 -1.26 -2.86 121.76 124.74 3krx s ALA 140 Ca 0.21 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3krx s ALA 140 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3krx s ALA 140 CO -0.07 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.39 3krx n GLY 141 N 1.81 -0.90 3.75 0.00 0.00 -1.26 -5.02 105.19 103.58 3krx n GLY 141 Ca -0.07 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3krx n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krx n HIS 142 N 0.00 2.71 -1.36 1.61 8.25 -1.26 -4.92 115.22 120.26 3krx n HIS 142 Ca 0.00 0.46 -0.33 0.00 -0.26 0.00 0.00 57.72 57.59 3krx n HIS 142 Cb 0.00 -2.47 0.09 0.00 1.12 0.00 0.00 29.99 28.72 3krx n HIS 142 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3krx n THR 143 N 0.08 3.53 -3.64 1.59 -2.24 -1.26 -4.90 114.28 107.43 3krx n THR 143 Ca 0.04 -2.89 -0.07 0.00 -2.27 0.00 0.00 64.05 58.86 3krx n THR 143 Cb 0.40 -1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 3krx n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3krx s GLY 144 N -1.87 -0.34 0.44 3.38 0.00 -1.26 -4.63 107.32 103.02 3krx s GLY 144 Ca 0.63 0.39 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 3krx s GLY 144 CO 0.01 0.11 1.44 1.58 0.00 0.00 0.00 173.10 176.24 3krx n TYR 145 N -0.39 2.74 -2.49 1.90 0.18 -1.26 -4.44 117.16 113.40 3krx n TYR 145 Ca -0.08 0.44 -0.43 0.00 1.88 0.00 0.00 57.90 59.71 3krx n TYR 145 Cb 0.61 -2.47 -0.02 0.00 -0.38 0.00 0.00 39.34 37.08 3krx n TYR 145 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3krx s LEU 146 N -2.50 4.17 -0.18 -3.48 2.96 -0.62 -0.36 118.68 118.67 3krx s LEU 146 Ca 0.60 1.61 0.14 0.00 -0.22 0.00 0.00 54.13 56.25 3krx s LEU 146 Cb -0.46 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.46 3krx s LEU 146 CO 0.59 -0.72 0.14 -1.54 -1.32 0.00 0.00 176.35 173.50 3krx n SER 147 N 6.42 0.54 -3.50 3.68 3.41 -0.29 -4.26 113.62 119.61 3krx n SER 147 Ca 0.13 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.72 3krx n SER 147 Cb 0.45 0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.90 3krx n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krx s ARG 150 N -0.96 0.42 0.24 0.00 1.81 -0.39 -4.58 118.95 115.49 3krx s ARG 150 Ca -0.03 -0.27 -0.16 0.00 -1.72 0.00 0.00 55.73 53.54 3krx s ARG 150 Cb -0.01 0.17 -0.08 0.00 -0.45 0.00 0.00 34.95 34.58 3krx s ARG 150 CO 0.03 -0.09 0.68 -0.06 -0.68 0.00 0.00 175.30 175.17 3krx s PHE 151 N -1.07 3.54 -0.18 -0.53 0.40 -1.26 -0.88 117.98 118.00 3krx s PHE 151 Ca -0.12 1.24 -0.14 0.00 -0.60 0.00 0.00 56.93 57.31 3krx s PHE 151 Cb -0.06 -2.52 -0.08 0.00 0.51 0.00 0.00 43.02 40.86 3krx s PHE 151 CO 0.01 0.28 -0.14 1.28 0.70 0.00 0.00 175.22 177.35 3krx n LEU 152 N 0.35 1.86 0.00 -0.37 4.77 -0.95 -4.88 117.00 117.78 3krx n LEU 152 Ca -0.01 0.49 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 3krx n LEU 152 Cb 0.52 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 3krx n LEU 152 CO 0.43 -0.14 -0.00 -0.90 -1.33 0.00 0.00 177.39 175.45 3krx n ASP 153 N -4.50 -0.09 -0.36 -1.43 5.75 -1.22 -4.90 116.55 109.80 3krx n ASP 153 Ca -0.20 -1.21 0.06 0.00 -0.01 0.00 0.00 54.79 53.43 3krx n ASP 153 Cb 0.49 0.19 0.22 0.00 -1.03 0.00 0.00 41.12 40.99 3krx n ASP 153 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3krx h ASP 154 N 0.20 0.94 -0.67 -1.12 3.45 -2.01 -2.94 116.42 114.28 3krx h ASP 154 Ca -0.02 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3krx h ASP 154 Cb 0.12 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3krx h ASP 154 CO 0.03 0.52 0.00 -3.20 -1.57 0.00 0.00 179.24 175.03 3krx n ASN 155 N -4.60 3.81 -3.96 6.45 5.15 -1.26 -4.89 115.26 115.96 3krx n ASN 155 Ca 0.18 -2.00 -0.16 0.00 -0.60 0.00 0.00 54.58 52.00 3krx n ASN 155 Cb 0.32 -0.45 -0.14 0.00 -0.53 0.00 0.00 39.78 38.98 3krx n ASN 155 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3krx s GLN 156 N -1.03 0.44 0.01 1.20 -0.21 -1.11 -1.15 119.66 117.81 3krx s GLN 156 Ca 0.46 -0.19 -0.06 0.00 0.02 0.00 0.00 55.36 55.58 3krx s GLN 156 Cb 0.24 -0.43 -0.00 0.00 1.00 0.00 0.00 33.01 33.82 3krx s GLN 156 CO 0.31 0.11 0.11 -1.50 -2.12 0.00 0.00 175.29 172.21 3krx s ILE 157 N -0.10 0.09 -0.10 1.08 2.07 -1.17 -2.24 121.20 120.83 3krx s ILE 157 Ca 0.02 -0.77 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 3krx s ILE 157 Cb -0.02 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.08 3krx s ILE 157 CO -0.00 -0.42 -0.21 -0.69 -1.91 0.00 0.00 174.94 171.71 3krx s VAL 158 N -1.56 2.35 0.14 4.00 1.01 -0.06 0.34 120.40 126.62 3krx s VAL 158 Ca -0.14 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.00 3krx s VAL 158 Cb -0.07 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3krx s VAL 158 CO 0.00 0.55 -0.17 0.42 0.00 0.00 0.00 175.10 175.90 3krx s THR 159 N 0.25 1.67 0.14 3.92 -4.23 -0.47 -1.26 115.64 115.67 3krx s THR 159 Ca -0.14 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.66 3krx s THR 159 Cb -0.17 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 3krx s THR 159 CO 0.07 -0.31 -0.22 -0.94 -0.54 0.00 0.00 174.62 172.69 3krx s SER 160 N -2.50 2.93 0.11 3.99 1.04 -0.19 -1.53 113.70 117.56 3krx s SER 160 Ca 0.12 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 3krx s SER 160 Cb -0.06 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 3krx s SER 160 CO 0.05 0.07 0.13 -0.55 0.98 0.00 0.00 173.24 173.93 3krx s SER 161 N -2.28 0.23 0.00 7.02 0.15 -0.87 -1.13 113.70 116.82 3krx s SER 161 Ca 0.13 -0.94 0.28 0.00 0.70 0.00 0.00 55.95 56.12 3krx s SER 161 Cb -0.09 0.32 1.61 0.00 -1.71 0.00 0.00 66.02 66.16 3krx s SER 161 CO 0.06 -0.74 1.98 0.61 1.20 0.00 0.00 173.24 176.35 3krx n GLY 162 N -0.07 -0.91 0.00 9.45 0.00 0.51 -2.53 105.19 111.64 3krx n GLY 162 Ca -0.10 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.78 3krx n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3krx n ASP 163 N -1.04 0.00 -0.42 1.61 5.68 -1.26 -4.61 116.55 116.51 3krx n ASP 163 Ca 0.20 -1.35 -0.05 0.00 -0.50 0.00 0.00 54.79 53.09 3krx n ASP 163 Cb 0.11 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 3krx n ASP 163 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3krx n THR 164 N -0.63 0.00 -4.23 2.12 -2.24 -1.14 -4.99 114.28 103.16 3krx n THR 164 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3krx n THR 164 Cb 0.02 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.28 3krx n THR 164 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3krx s THR 165 N -2.18 0.49 0.42 4.28 -4.23 -1.25 -4.12 115.64 109.04 3krx s THR 165 Ca 0.00 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3krx s THR 165 Cb 0.00 -2.23 -0.07 0.00 1.34 0.00 0.00 72.50 71.54 3krx s THR 165 CO 0.00 -0.35 0.01 0.00 -0.54 0.00 0.00 174.62 173.75 3krx s ALA 167 N -2.78 -1.96 -0.20 0.00 0.00 -0.58 -1.53 121.76 114.71 3krx s ALA 167 Ca 0.31 2.04 -0.12 0.00 0.00 0.00 0.00 51.96 54.20 3krx s ALA 167 Cb 0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 3krx s ALA 167 CO 0.16 -0.30 0.20 -1.17 0.00 0.00 0.00 175.76 174.65 3krx s LEU 168 N 0.64 4.18 0.12 0.00 2.96 -0.47 -1.36 118.68 124.75 3krx s LEU 168 Ca -0.01 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 3krx s LEU 168 Cb -0.05 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3krx s LEU 168 CO -0.08 0.10 0.12 0.26 -1.32 0.00 0.00 176.35 175.44 3krx s TRP 169 N 0.68 3.20 -0.41 5.38 0.52 0.15 -1.40 118.94 127.07 3krx s TRP 169 Ca 0.11 0.05 -0.07 0.00 0.02 0.00 0.00 56.10 56.20 3krx s TRP 169 Cb -0.13 -1.58 0.09 0.00 -1.15 0.00 0.00 33.47 30.70 3krx s TRP 169 CO 0.02 0.52 0.24 0.34 0.02 0.00 0.00 176.95 178.09 3krx s ASP 170 N -2.74 5.51 0.34 2.95 2.15 -0.79 -3.04 116.67 121.05 3krx s ASP 170 Ca 0.31 -1.65 0.04 0.00 0.43 0.00 0.00 52.55 51.68 3krx s ASP 170 Cb -0.11 -1.94 0.62 0.00 -0.30 0.00 0.00 42.92 41.20 3krx s ASP 170 CO 0.23 -0.54 1.89 0.40 -0.17 0.00 0.00 175.17 176.99 3krx h ILE 171 N 6.17 1.19 0.45 4.11 2.04 -1.44 0.44 117.51 130.47 3krx h ILE 171 Ca -0.20 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3krx h ILE 171 Cb 1.07 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3krx h ILE 171 CO 0.74 0.25 -0.22 -0.08 0.00 0.00 0.00 178.15 178.84 3krx h GLU 172 N 0.52 -0.59 0.00 2.37 4.57 -1.94 -3.15 114.58 116.36 3krx h GLU 172 Ca 0.12 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3krx h GLU 172 Cb 0.29 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3krx h GLU 172 CO 0.01 -0.39 -0.21 1.79 -1.18 0.00 0.00 179.01 179.03 3krx h THR 173 N -0.61 0.59 -2.27 0.32 1.35 -1.94 -3.47 112.91 106.88 3krx h THR 173 Ca -0.06 -0.97 -0.20 0.00 -0.55 0.00 0.00 66.41 64.62 3krx h THR 173 Cb 0.47 1.65 0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3krx h THR 173 CO 0.10 0.20 -0.29 0.61 -0.25 0.00 0.00 175.52 175.89 3krx n GLY 174 N -0.11 0.06 3.78 5.82 0.00 0.15 -5.04 105.19 109.86 3krx n GLY 174 Ca -0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3krx n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3krx s GLN 175 N -4.99 2.21 -0.42 1.61 -1.52 -1.20 -4.82 119.66 110.52 3krx s GLN 175 Ca 0.12 -2.06 -0.17 0.00 -1.95 0.00 0.00 55.36 51.30 3krx s GLN 175 Cb -0.05 -1.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.89 3krx s GLN 175 CO 0.15 -0.32 0.40 -0.65 -0.25 0.00 0.00 175.29 174.62 3krx s GLN 176 N -3.99 3.05 0.07 2.91 -0.21 -1.26 -1.88 119.66 118.35 3krx s GLN 176 Ca 0.29 -0.87 -0.25 0.00 0.02 0.00 0.00 55.36 54.55 3krx s GLN 176 Cb 0.02 -3.98 -0.16 0.00 1.00 0.00 0.00 33.01 29.88 3krx s GLN 176 CO 0.16 -0.84 1.63 1.15 -2.12 0.00 0.00 175.29 175.28 3krx h THR 177 N 5.71 0.87 -3.96 -0.19 2.02 -1.55 -3.46 112.91 112.35 3krx h THR 177 Ca -0.27 -0.15 -0.32 0.00 0.77 0.00 0.00 66.41 66.44 3krx h THR 177 Cb 1.11 0.97 -0.22 0.00 -1.74 0.00 0.00 68.15 68.27 3krx h THR 177 CO 0.79 0.04 -0.75 -0.89 0.37 0.00 0.00 175.52 175.07 3krx s THR 178 N -5.87 0.70 0.09 3.16 2.01 -1.19 -5.03 115.64 109.52 3krx s THR 178 Ca -0.14 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 60.88 3krx s THR 178 Cb 0.05 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 3krx s THR 178 CO 0.64 -0.28 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.19 3krx s THR 179 N -1.22 1.79 -0.64 -0.82 2.01 -1.26 -1.37 115.64 114.13 3krx s THR 179 Ca -0.06 -1.49 0.05 0.00 0.31 0.00 0.00 61.69 60.49 3krx s THR 179 Cb -0.09 -1.60 0.17 0.00 0.01 0.00 0.00 72.50 70.98 3krx s THR 179 CO 0.01 0.04 0.46 -0.36 -0.69 0.00 0.00 174.62 174.07 3krx s PHE 180 N -1.05 3.07 0.28 4.92 0.40 -0.58 -4.79 117.98 120.22 3krx s PHE 180 Ca 0.08 -3.13 -0.21 0.00 -0.60 0.00 0.00 56.93 53.06 3krx s PHE 180 Cb -0.10 -2.35 -0.09 0.00 0.51 0.00 0.00 43.02 40.99 3krx s PHE 180 CO 0.04 -0.61 0.81 0.99 0.70 0.00 0.00 175.22 177.15 3krx s THR 181 N -1.13 4.46 0.00 0.64 2.01 -1.26 -2.87 115.64 117.49 3krx s THR 181 Ca 0.26 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.69 3krx s THR 181 Cb -0.03 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3krx s THR 181 CO -0.17 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 3krx n GLY 182 N 0.47 1.47 3.76 4.40 0.00 -1.26 -4.82 105.19 109.21 3krx n GLY 182 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3krx n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krx s HIS 183 N 0.00 3.16 -2.33 1.61 3.76 -1.26 -4.93 115.29 115.30 3krx s HIS 183 Ca 0.00 1.45 0.22 0.00 -0.15 0.00 0.00 55.06 56.58 3krx s HIS 183 Cb 0.00 -3.60 0.44 0.00 1.11 0.00 0.00 32.58 30.52 3krx s HIS 183 CO 0.00 -1.63 1.40 0.25 -0.85 0.00 0.00 174.74 173.91 3krx n THR 184 N 1.03 0.56 -4.20 1.30 -2.24 -1.26 -4.80 114.28 104.67 3krx n THR 184 Ca 0.00 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.83 3krx n THR 184 Cb 0.42 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3krx n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krx n GLY 185 N 1.46 2.70 3.70 3.38 0.00 -1.26 -4.94 105.19 110.23 3krx n GLY 185 Ca 0.19 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3krx n GLY 185 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krx s ASP 186 N -3.20 6.46 0.35 1.61 1.11 -1.26 -4.28 116.67 117.46 3krx s ASP 186 Ca 0.35 2.72 -0.26 0.00 0.18 0.00 0.00 52.55 55.55 3krx s ASP 186 Cb 0.01 -2.58 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 3krx s ASP 186 CO 0.25 -0.96 1.06 -0.69 1.18 0.00 0.00 175.17 176.01 3krx s VAL 187 N 2.23 3.67 0.00 -1.27 1.01 -1.05 0.07 120.40 125.06 3krx s VAL 187 Ca 0.77 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.18 3krx s VAL 187 Cb -0.46 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3krx s VAL 187 CO 0.34 0.15 0.00 0.23 0.00 0.00 0.00 175.10 175.82 3krx n MET 188 N 0.43 0.00 -4.01 2.72 2.81 0.48 -4.21 117.12 115.35 3krx n MET 188 Ca 0.03 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.82 3krx n MET 188 Cb 0.48 -0.80 -0.08 0.00 -0.71 0.00 0.00 33.22 32.11 3krx n MET 188 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3krx s SER 189 N -4.05 0.17 0.15 7.83 0.15 -1.13 -4.34 113.70 112.48 3krx s SER 189 Ca 0.00 -0.94 -0.04 0.00 0.70 0.00 0.00 55.95 55.67 3krx s SER 189 Cb 0.00 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3krx s SER 189 CO 0.00 -0.79 0.16 -1.48 1.20 0.00 0.00 173.24 172.32 3krx s LEU 190 N -2.97 1.41 -0.11 3.45 0.05 -1.26 -0.77 118.68 118.47 3krx s LEU 190 Ca 0.16 -1.06 -0.06 0.00 0.05 0.00 0.00 54.13 53.22 3krx s LEU 190 Cb 0.05 0.69 0.05 0.00 -2.05 0.00 0.00 46.19 44.93 3krx s LEU 190 CO -0.02 -0.80 0.27 -0.55 -0.55 0.00 0.00 176.35 174.70 3krx s SER 191 N -3.01 -0.30 0.34 1.48 0.15 -0.83 -4.82 113.70 106.70 3krx s SER 191 Ca 0.21 0.58 -0.26 0.00 0.70 0.00 0.00 55.95 57.19 3krx s SER 191 Cb 0.06 0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 64.75 3krx s SER 191 CO 0.01 -0.16 0.96 -0.76 1.20 0.00 0.00 173.24 174.49 3krx s LEU 192 N 1.17 4.30 0.48 3.45 1.43 -1.26 -1.72 118.68 126.53 3krx s LEU 192 Ca -0.08 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.67 3krx s LEU 192 Cb -0.09 -4.06 -0.08 0.00 0.03 0.00 0.00 46.19 41.99 3krx s LEU 192 CO -0.08 -0.14 1.08 0.00 0.23 0.00 0.00 176.35 177.43 3krx s ALA 193 N -1.64 2.89 0.37 4.21 0.00 -1.05 -4.77 121.76 121.77 3krx s ALA 193 Ca 0.52 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.29 3krx s ALA 193 Cb -0.19 -3.30 0.83 0.00 0.00 0.00 0.00 23.12 20.46 3krx s ALA 193 CO 0.24 -0.45 1.90 -1.00 0.00 0.00 0.00 175.76 176.46 3krx h PRO 194 N 1.73 0.65 0.00 0.00 0.13 -1.90 -0.15 132.00 132.46 3krx h PRO 194 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3krx h PRO 194 Cb 1.23 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3krx h PRO 194 CO 0.59 0.43 0.00 0.38 -0.23 0.00 0.00 178.00 179.17 3krx h ASP 195 N 0.67 0.00 0.00 1.44 2.03 -1.93 -3.48 116.42 115.15 3krx h ASP 195 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 3krx h ASP 195 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3krx h ASP 195 CO -0.16 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.40 3krx n THR 196 N -2.78 0.00 0.23 1.15 -2.24 -0.07 -4.82 114.28 105.74 3krx n THR 196 Ca 0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3krx n THR 196 Cb 0.43 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.36 3krx n THR 196 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3krx h ARG 197 N 0.97 0.00 -6.03 -0.78 3.08 -1.92 -3.43 114.38 106.27 3krx h ARG 197 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3krx h ARG 197 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3krx h ARG 197 CO 0.00 0.00 -0.54 -0.51 -1.07 0.00 0.00 179.97 177.85 3krx s LEU 198 N -8.73 3.17 -0.17 3.04 1.43 -1.26 -1.40 118.68 114.76 3krx s LEU 198 Ca -0.05 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 51.88 3krx s LEU 198 Cb 0.17 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.87 3krx s LEU 198 CO 0.65 -0.36 0.71 0.72 0.23 0.00 0.00 176.35 178.31 3krx s PHE 199 N -2.49 -0.71 0.25 0.29 -0.12 -1.10 -2.53 117.98 111.56 3krx s PHE 199 Ca 0.38 1.52 0.05 0.00 -0.05 0.00 0.00 56.93 58.83 3krx s PHE 199 Cb -0.00 0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 3krx s PHE 199 CO 0.22 -0.48 0.37 0.14 -0.05 0.00 0.00 175.22 175.42 3krx s VAL 200 N -0.38 5.15 0.03 -2.49 -7.23 -0.70 -1.08 120.40 113.71 3krx s VAL 200 Ca -0.05 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3krx s VAL 200 Cb -0.03 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 3krx s VAL 200 CO 0.05 -0.32 -0.01 -0.94 -0.31 0.00 0.00 175.10 173.57 3krx s SER 201 N -4.00 0.33 0.07 4.85 1.04 -0.46 -1.96 113.70 113.57 3krx s SER 201 Ca 0.35 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 56.13 3krx s SER 201 Cb -0.09 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3krx s SER 201 CO 0.29 -0.45 -0.15 -0.83 0.98 0.00 0.00 173.24 173.08 3krx s GLY 202 N -2.13 0.91 0.30 7.32 0.00 0.05 -1.52 107.32 112.25 3krx s GLY 202 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3krx s GLY 202 CO -0.05 -1.04 0.33 0.00 0.00 0.00 0.00 173.10 172.34 3krx s ALA 203 N -1.22 1.14 -2.09 3.20 0.00 -1.13 -0.38 121.76 121.28 3krx s ALA 203 Ca -0.00 -1.69 0.17 0.00 0.00 0.00 0.00 51.96 50.43 3krx s ALA 203 Cb -0.10 1.31 0.80 0.00 0.00 0.00 0.00 23.12 25.13 3krx s ALA 203 CO 0.02 -0.71 1.54 0.00 0.00 0.00 0.00 175.76 176.62 3krx n ASP 205 N -0.28 1.67 -1.56 0.00 5.75 -1.26 -4.64 116.55 116.24 3krx n ASP 205 Ca 0.13 -1.74 -0.15 0.00 -0.01 0.00 0.00 54.79 53.02 3krx n ASP 205 Cb 0.16 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 3krx n ASP 205 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3krx n ALA 206 N 0.33 -0.38 -2.75 2.12 0.00 -1.13 -5.00 120.51 113.69 3krx n ALA 206 Ca 0.16 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 3krx n ALA 206 Cb 0.32 -1.69 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 3krx n ALA 206 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3krx s SER 207 N -2.47 1.43 0.12 0.00 1.04 -1.26 -4.18 113.70 108.38 3krx s SER 207 Ca 0.00 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 55.93 3krx s SER 207 Cb 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3krx s SER 207 CO 0.00 -0.12 -0.21 0.00 0.98 0.00 0.00 173.24 173.90 3krx s ALA 208 N -1.31 2.59 -0.03 5.32 0.00 -1.10 -2.82 121.76 124.40 3krx s ALA 208 Ca -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3krx s ALA 208 Cb -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3krx s ALA 208 CO 0.02 0.58 -0.06 0.15 0.00 0.00 0.00 175.76 176.44 3krx s LYS 209 N -2.12 0.81 -0.23 0.00 1.02 -0.57 -1.25 119.74 117.41 3krx s LYS 209 Ca 0.17 -0.17 -0.21 0.00 0.02 0.00 0.00 55.97 55.77 3krx s LYS 209 Cb -0.10 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 3krx s LYS 209 CO 0.09 0.00 0.66 -1.17 -0.92 0.00 0.00 175.35 174.01 3krx s LEU 210 N 0.56 4.10 0.02 3.17 2.96 -0.85 -1.35 118.68 127.30 3krx s LEU 210 Ca -0.08 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3krx s LEU 210 Cb -0.11 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 3krx s LEU 210 CO 0.00 -0.34 0.03 0.26 -1.32 0.00 0.00 176.35 174.99 3krx s TRP 211 N 2.26 3.14 -0.93 5.38 0.52 -0.24 -1.26 118.94 127.81 3krx s TRP 211 Ca 0.29 0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.35 3krx s TRP 211 Cb -0.16 -1.66 0.18 0.00 -1.15 0.00 0.00 33.47 30.68 3krx s TRP 211 CO 0.09 0.50 1.01 0.34 0.02 0.00 0.00 176.95 178.91 3krx s ASP 212 N -1.84 6.78 0.27 2.95 3.68 -0.38 -2.71 116.67 125.42 3krx s ASP 212 Ca 0.23 -2.51 -0.09 0.00 2.13 0.00 0.00 52.55 52.30 3krx s ASP 212 Cb -0.12 -2.31 0.41 0.00 -1.45 0.00 0.00 42.92 39.46 3krx s ASP 212 CO 0.14 -0.78 1.57 0.58 0.13 0.00 0.00 175.17 176.81 3krx h VAL 213 N 5.13 0.05 -0.02 1.11 2.07 -1.55 0.50 116.25 123.55 3krx h VAL 213 Ca 0.15 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.48 3krx h VAL 213 Cb 1.01 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3krx h VAL 213 CO 0.97 0.00 -0.75 0.03 0.02 0.00 0.00 177.57 177.84 3krx h ARG 214 N -0.00 0.55 0.03 1.57 3.08 -1.93 -3.29 114.38 114.39 3krx h ARG 214 Ca 0.45 -0.56 -0.23 0.00 0.07 0.00 0.00 59.98 59.71 3krx h ARG 214 Cb 0.68 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3krx h ARG 214 CO -0.97 1.18 -1.00 0.93 -1.07 0.00 0.00 179.97 179.04 3krx h GLU 215 N 0.13 0.29 -1.37 0.04 4.39 -1.61 -3.49 114.58 112.95 3krx h GLU 215 Ca -0.09 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3krx h GLU 215 Cb 1.43 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3krx h GLU 215 CO 0.15 1.08 0.00 0.41 -1.16 0.00 0.00 179.01 179.49 3krx n GLY 216 N 1.08 0.56 3.43 -3.84 0.00 0.16 -5.06 105.19 101.52 3krx n GLY 216 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 3krx n GLY 216 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3krx s MET 217 N -2.99 1.25 -0.28 1.61 0.23 -1.25 -4.85 119.30 113.02 3krx s MET 217 Ca 0.00 -0.74 -0.22 0.00 -1.03 0.00 0.00 55.69 53.70 3krx s MET 217 Cb 0.00 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.80 3krx s MET 217 CO 0.00 -0.52 0.71 0.00 -2.03 0.00 0.00 175.02 173.19 3krx h ARG 219 N 7.98 0.17 -4.31 0.00 3.08 -1.54 -3.48 114.38 116.28 3krx h ARG 219 Ca -0.25 -0.29 -0.22 0.00 0.07 0.00 0.00 59.98 59.29 3krx h ARG 219 Cb 1.11 0.11 -0.20 0.00 0.08 0.00 0.00 29.97 31.07 3krx h ARG 219 CO 0.83 1.14 -0.71 -0.65 -1.07 0.00 0.00 179.97 179.51 3krx s GLN 220 N -2.39 0.47 -0.08 0.04 -0.21 -1.23 -5.02 119.66 111.25 3krx s GLN 220 Ca -0.19 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.41 3krx s GLN 220 Cb 0.02 -0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.97 3krx s GLN 220 CO 0.75 -0.01 -0.06 0.99 -2.12 0.00 0.00 175.29 174.83 3krx s THR 221 N -1.79 0.81 -0.38 -0.19 2.01 -1.26 -2.00 115.64 112.84 3krx s THR 221 Ca -0.09 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 3krx s THR 221 Cb -0.07 -0.83 0.10 0.00 0.01 0.00 0.00 72.50 71.71 3krx s THR 221 CO -0.01 0.31 0.14 -0.36 -0.69 0.00 0.00 174.62 174.01 3krx s PHE 222 N 1.34 3.60 0.52 4.92 0.40 -0.38 -4.98 117.98 123.40 3krx s PHE 222 Ca -0.03 -2.50 0.01 0.00 -0.60 0.00 0.00 56.93 53.80 3krx s PHE 222 Cb -0.14 -3.03 0.10 0.00 0.51 0.00 0.00 43.02 40.47 3krx s PHE 222 CO -0.03 -0.95 0.72 0.25 0.70 0.00 0.00 175.22 175.91 3krx n THR 223 N 4.51 0.00 0.00 0.64 -2.24 -1.26 -2.72 114.28 113.21 3krx n THR 223 Ca -0.02 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3krx n THR 223 Cb 0.42 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3krx n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krx n GLY 224 N -0.59 4.18 3.77 3.38 0.00 -1.26 -4.85 105.19 109.82 3krx n GLY 224 Ca 0.12 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 3krx n GLY 224 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krx s HIS 225 N -0.01 2.81 -2.26 1.61 3.76 -1.26 -4.95 115.29 114.98 3krx s HIS 225 Ca 0.00 1.53 0.22 0.00 -0.15 0.00 0.00 55.06 56.66 3krx s HIS 225 Cb 0.00 -3.39 0.53 0.00 1.11 0.00 0.00 32.58 30.83 3krx s HIS 225 CO 0.00 -1.59 1.46 0.39 -0.85 0.00 0.00 174.74 174.15 3krx n GLU 226 N -0.65 2.49 -2.71 1.40 1.02 -1.26 -4.89 120.64 116.04 3krx n GLU 226 Ca 0.08 -2.28 -0.05 0.00 -0.02 0.00 0.00 57.16 54.89 3krx n GLU 226 Cb 0.48 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3krx n GLU 226 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3krx n SER 227 N 1.42 -1.36 -4.64 1.62 2.88 -1.26 -4.93 113.62 107.34 3krx n SER 227 Ca 0.21 -1.92 -0.42 0.00 -1.33 0.00 0.00 58.87 55.40 3krx n SER 227 Cb 0.57 2.26 -0.03 0.00 -0.75 0.00 0.00 64.21 66.27 3krx n SER 227 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3krx s ASP 228 N -2.28 6.26 -0.26 -3.46 1.01 -1.26 -4.09 116.67 112.59 3krx s ASP 228 Ca 0.10 2.26 -0.29 0.00 0.71 0.00 0.00 52.55 55.33 3krx s ASP 228 Cb -0.03 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3krx s ASP 228 CO 0.07 -1.26 1.54 -0.63 0.21 0.00 0.00 175.17 175.10 3krx s ILE 229 N 5.33 3.80 -0.13 0.77 1.01 -0.46 -2.40 121.20 129.12 3krx s ILE 229 Ca 0.86 0.89 0.18 0.00 0.00 0.00 0.00 60.65 62.58 3krx s ILE 229 Cb -0.36 -3.85 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 3krx s ILE 229 CO 0.36 -0.38 0.48 0.59 0.00 0.00 0.00 174.94 175.99 3krx n ASN 230 N 8.40 0.37 -3.71 3.58 3.02 0.16 -3.60 115.26 123.48 3krx n ASN 230 Ca 0.18 0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.79 3krx n ASN 230 Cb 0.46 0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 40.44 3krx n ASN 230 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krx s ALA 231 N -2.90 -0.87 -0.02 5.41 0.00 -1.12 -4.38 121.76 117.88 3krx s ALA 231 Ca -0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 3krx s ALA 231 Cb 0.09 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.05 3krx s ALA 231 CO 0.84 -0.73 0.43 -1.50 0.00 0.00 0.00 175.76 174.80 3krx s ILE 232 N -3.85 0.04 -0.22 0.00 2.07 -1.26 -0.86 121.20 117.12 3krx s ILE 232 Ca 0.08 -0.32 -0.15 0.00 -1.41 0.00 0.00 60.65 58.85 3krx s ILE 232 Cb 0.00 -0.75 0.06 0.00 0.13 0.00 0.00 42.46 41.91 3krx s ILE 232 CO -0.06 -0.18 0.54 0.00 -1.91 0.00 0.00 174.94 173.34 3krx s PHE 234 N 1.10 3.72 0.20 0.00 0.08 -1.26 0.29 117.98 122.12 3krx s PHE 234 Ca -0.06 1.79 -0.30 0.00 0.12 0.00 0.00 56.93 58.48 3krx s PHE 234 Cb -0.06 -3.08 -0.08 0.00 -0.57 0.00 0.00 43.02 39.23 3krx s PHE 234 CO -0.10 -0.03 1.11 0.12 -0.10 0.00 0.00 175.22 176.21 3krx s PHE 235 N -1.31 3.58 0.50 0.36 5.36 -0.08 -4.81 117.98 121.58 3krx s PHE 235 Ca 0.46 1.61 0.41 0.00 -0.96 0.00 0.00 56.93 58.45 3krx s PHE 235 Cb -0.26 -3.28 1.61 0.00 -0.34 0.00 0.00 43.02 40.74 3krx s PHE 235 CO 0.33 -0.62 1.59 -1.35 -1.46 0.00 0.00 175.22 173.70 3krx h PRO 236 N 4.79 0.01 0.00 10.12 0.11 -1.88 0.66 132.00 145.81 3krx h PRO 236 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3krx h PRO 236 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3krx h PRO 236 CO 0.71 0.01 -0.48 0.27 -0.21 0.00 0.00 178.00 178.30 3krx n ASN 237 N -4.34 0.53 0.00 -2.05 6.94 -1.26 -4.83 115.26 110.26 3krx n ASN 237 Ca 0.42 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 3krx n ASN 237 Cb 1.76 0.10 0.00 0.00 -2.36 0.00 0.00 39.78 39.28 3krx n ASN 237 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3krx n GLY 238 N 1.43 0.51 0.85 4.83 0.00 0.23 -4.91 105.19 108.13 3krx n GLY 238 Ca 0.05 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3krx n GLY 238 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3krx n ASN 239 N 0.81 3.06 -3.43 1.61 5.03 -1.26 -4.98 115.26 116.10 3krx n ASN 239 Ca 0.00 -1.91 -0.12 0.00 0.87 0.00 0.00 54.58 53.43 3krx n ASN 239 Cb 0.00 -0.24 -0.02 0.00 -1.02 0.00 0.00 39.78 38.50 3krx n ASN 239 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3krx s ALA 240 N -1.11 -1.62 0.13 5.41 0.00 -1.26 -1.18 121.76 122.13 3krx s ALA 240 Ca 0.30 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 3krx s ALA 240 Cb 0.16 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 3krx s ALA 240 CO 0.22 -0.76 0.23 -0.59 0.00 0.00 0.00 175.76 174.86 3krx s PHE 241 N -3.69 0.30 0.18 0.00 -0.12 0.09 -0.90 117.98 113.83 3krx s PHE 241 Ca 0.01 -0.69 0.09 0.00 -0.05 0.00 0.00 56.93 56.29 3krx s PHE 241 Cb -0.01 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3krx s PHE 241 CO -0.13 -0.63 -0.13 0.00 -0.05 0.00 0.00 175.22 174.28 3krx s ALA 242 N -3.92 2.84 0.16 1.99 0.00 0.15 -0.29 121.76 122.69 3krx s ALA 242 Ca 0.12 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.63 3krx s ALA 242 Cb 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3krx s ALA 242 CO -0.05 0.47 -0.10 0.95 0.00 0.00 0.00 175.76 177.03 3krx s THR 243 N -1.65 1.24 0.02 0.00 -4.23 -0.55 -0.50 115.64 109.97 3krx s THR 243 Ca 0.23 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.71 3krx s THR 243 Cb -0.09 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 3krx s THR 243 CO 0.14 -0.71 -0.13 -0.83 -0.54 0.00 0.00 174.62 172.55 3krx s GLY 244 N -3.19 0.69 0.23 3.99 0.00 -0.04 -2.46 107.32 106.54 3krx s GLY 244 Ca 0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 3krx s GLY 244 CO 0.02 -0.65 0.26 -0.45 0.00 0.00 0.00 173.10 172.28 3krx s SER 245 N -0.81 0.27 0.16 1.64 0.15 -1.23 0.38 113.70 114.27 3krx s SER 245 Ca 0.02 -1.31 0.25 0.00 0.70 0.00 0.00 55.95 55.62 3krx s SER 245 Cb -0.07 0.47 0.92 0.00 -1.71 0.00 0.00 66.02 65.63 3krx s SER 245 CO 0.01 -0.97 1.77 0.47 1.20 0.00 0.00 173.24 175.71 3krx n ASP 246 N -0.49 0.56 0.29 5.45 8.00 -1.01 -1.23 116.55 128.12 3krx n ASP 246 Ca 0.01 0.58 0.19 0.00 0.71 0.00 0.00 54.79 56.28 3krx n ASP 246 Cb 0.64 -0.72 0.86 0.00 -0.02 0.00 0.00 41.12 41.88 3krx n ASP 246 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 3krx h ASP 247 N 0.00 0.00 0.00 -2.24 3.04 -1.88 -3.38 116.42 111.96 3krx h ASP 247 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3krx h ASP 247 Cb 0.57 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.86 3krx h ASP 247 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3krx n ALA 248 N -2.07 0.00 -2.67 4.15 0.00 -1.18 -4.94 120.51 113.80 3krx n ALA 248 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 3krx n ALA 248 Cb 0.22 -0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 3krx n ALA 248 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3krx s THR 249 N -2.00 0.92 0.24 0.00 -4.23 -1.26 -4.73 115.64 104.59 3krx s THR 249 Ca 0.00 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 3krx s THR 249 Cb 0.00 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 3krx s THR 249 CO 0.00 0.05 0.41 0.00 -0.54 0.00 0.00 174.62 174.54 3krx s ARG 251 N -3.76 0.00 -0.24 0.00 0.52 -1.03 -1.45 118.95 113.00 3krx s ARG 251 Ca 0.37 0.09 -0.11 0.00 -0.52 0.00 0.00 55.73 55.56 3krx s ARG 251 Cb -0.10 -0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.24 3krx s ARG 251 CO 0.31 -0.06 0.17 -1.17 0.02 0.00 0.00 175.30 174.56 3krx s LEU 252 N 0.39 4.12 -0.09 2.53 2.96 -0.82 -1.48 118.68 126.29 3krx s LEU 252 Ca -0.03 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3krx s LEU 252 Cb -0.05 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3krx s LEU 252 CO -0.01 0.07 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.56 3krx s PHE 253 N 1.04 2.68 -0.11 5.38 0.40 0.61 -0.21 117.98 127.76 3krx s PHE 253 Ca 0.08 -0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 3krx s PHE 253 Cb -0.13 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 3krx s PHE 253 CO 0.04 -0.12 0.03 0.34 0.70 0.00 0.00 175.22 176.21 3krx s ASP 254 N -0.06 5.42 -0.07 1.36 2.15 -0.96 -0.73 116.67 123.78 3krx s ASP 254 Ca -0.04 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.83 3krx s ASP 254 Cb -0.14 -1.67 -0.24 0.00 -0.30 0.00 0.00 42.92 40.57 3krx s ASP 254 CO 0.04 0.33 0.97 -0.07 -0.17 0.00 0.00 175.17 176.27 3krx h LEU 255 N 5.54 0.15 -0.89 -1.34 3.38 -1.47 0.78 115.31 121.46 3krx h LEU 255 Ca -0.47 -0.82 -0.10 0.00 0.09 0.00 0.00 57.88 56.58 3krx h LEU 255 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3krx h LEU 255 CO 0.58 0.95 -0.28 0.03 0.09 0.00 0.00 178.44 179.81 3krx h ARG 256 N -0.64 0.49 0.00 1.13 3.08 -1.97 -1.74 114.38 114.73 3krx h ARG 256 Ca -0.02 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 3krx h ARG 256 Cb 0.98 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3krx h ARG 256 CO 0.03 0.72 -0.38 0.00 -1.07 0.00 0.00 179.97 179.28 3krx h ALA 257 N 1.27 0.88 -2.83 0.04 0.00 -1.91 -3.48 119.26 113.23 3krx h ALA 257 Ca 0.06 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 3krx h ALA 257 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3krx h ALA 257 CO 0.05 0.47 -0.46 -3.47 0.00 0.00 0.00 179.25 175.85 3krx n ASP 258 N -3.37 -5.16 -3.58 0.00 2.03 0.26 -4.97 116.55 101.76 3krx n ASP 258 Ca 0.01 -0.08 -0.08 0.00 0.52 0.00 0.00 54.79 55.16 3krx n ASP 258 Cb 0.57 -4.17 -0.01 0.00 -0.72 0.00 0.00 41.12 36.79 3krx n ASP 258 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krx s GLN 259 N -5.04 1.90 0.23 -0.67 -2.07 -1.13 -5.02 119.66 107.86 3krx s GLN 259 Ca 0.07 -1.17 -0.30 0.00 -1.82 0.00 0.00 55.36 52.15 3krx s GLN 259 Cb -0.03 0.60 -0.09 0.00 -1.09 0.00 0.00 33.01 32.40 3krx s GLN 259 CO 0.09 -0.87 1.27 -2.00 -1.32 0.00 0.00 175.29 172.45 3krx s GLU 260 N -3.43 4.43 -0.23 9.60 2.12 -1.26 -2.27 118.70 127.65 3krx s GLU 260 Ca 0.14 2.03 -0.06 0.00 0.36 0.00 0.00 54.97 57.44 3krx s GLU 260 Cb -0.05 -3.18 -0.12 0.00 0.26 0.00 0.00 34.13 31.04 3krx s GLU 260 CO 0.09 -0.16 -0.26 1.28 -0.54 0.00 0.00 175.26 175.67 3krx n LEU 261 N 2.08 2.27 -4.01 2.70 4.77 0.70 -4.92 117.00 120.60 3krx n LEU 261 Ca 0.04 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3krx n LEU 261 Cb 0.43 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 3krx n LEU 261 CO 0.57 0.67 -0.35 -0.32 -1.33 0.00 0.00 177.39 176.63 3krx s MET 262 N -2.44 0.41 -0.06 3.23 0.00 -1.17 -4.42 119.30 114.84 3krx s MET 262 Ca -0.32 -0.78 0.02 0.00 0.00 0.00 0.00 55.69 54.61 3krx s MET 262 Cb 0.11 0.14 0.01 0.00 0.00 0.00 0.00 34.83 35.09 3krx s MET 262 CO 0.47 -0.07 -0.12 0.99 0.00 0.00 0.00 175.02 176.29 3krx s THR 263 N -2.19 1.07 -0.27 10.11 2.01 -1.26 -1.95 115.64 123.16 3krx s THR 263 Ca -0.09 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3krx s THR 263 Cb -0.05 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.49 3krx s THR 263 CO -0.04 0.34 0.03 -0.31 -0.69 0.00 0.00 174.62 173.95 3krx s TYR 264 N 0.60 3.10 -0.30 4.92 1.51 -0.53 -4.97 117.35 121.69 3krx s TYR 264 Ca -0.13 -1.08 -0.13 0.00 -1.01 0.00 0.00 57.07 54.72 3krx s TYR 264 Cb -0.15 -2.18 0.18 0.00 -0.11 0.00 0.00 41.96 39.70 3krx s TYR 264 CO 0.03 -0.60 1.07 -1.54 -1.11 0.00 0.00 175.55 173.41 3krx s SER 265 N 1.46 -0.39 0.45 2.29 1.04 -1.26 -1.60 113.70 115.69 3krx s SER 265 Ca 0.03 0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.41 3krx s SER 265 Cb -0.17 1.29 -0.10 0.00 0.10 0.00 0.00 66.02 67.15 3krx s SER 265 CO 0.00 -0.07 0.98 -2.28 0.98 0.00 0.00 173.24 172.85 3krx s HIS 266 N 2.96 3.20 0.49 5.02 2.46 -1.26 -4.96 115.29 123.20 3krx s HIS 266 Ca 0.08 1.60 0.13 0.00 0.47 0.00 0.00 55.06 57.35 3krx s HIS 266 Cb -0.07 -2.94 1.15 0.00 -0.13 0.00 0.00 32.58 30.60 3krx s HIS 266 CO -0.15 -0.37 2.12 -0.44 -2.47 0.00 0.00 174.74 173.43 3krx h ASP 267 N 1.83 0.14 0.52 9.88 3.32 -2.01 -2.51 116.42 127.58 3krx h ASP 267 Ca -0.49 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 3krx h ASP 267 Cb 1.20 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3krx h ASP 267 CO 0.60 0.10 -0.37 0.78 -1.72 0.00 0.00 179.24 178.63 3krx h ASN 268 N 0.16 0.00 -3.16 6.45 4.21 -2.02 -3.41 115.58 117.82 3krx h ASN 268 Ca 0.05 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.96 3krx h ASN 268 Cb -0.01 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.08 3krx h ASN 268 CO -0.01 0.37 0.67 -0.63 -1.29 0.00 0.00 177.43 176.54 3krx s ILE 269 N -3.98 4.29 -0.13 2.81 1.01 -0.95 -4.85 121.20 119.41 3krx s ILE 269 Ca -0.02 0.40 0.06 0.00 0.00 0.00 0.00 60.65 61.10 3krx s ILE 269 Cb 0.13 -4.60 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 3krx s ILE 269 CO 0.70 -1.19 0.19 2.30 0.00 0.00 0.00 174.94 176.94 3krx n ILE 270 N 6.30 0.00 -2.24 2.92 -5.35 -1.26 -4.75 119.36 114.98 3krx n ILE 270 Ca 0.03 -0.23 -0.27 0.00 -0.27 0.00 0.00 62.75 62.01 3krx n ILE 270 Cb 0.48 0.62 0.16 0.00 -1.74 0.00 0.00 39.64 39.16 3krx n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3krx s GLY 272 N -4.87 1.70 -0.09 0.00 0.00 -1.26 -3.87 107.32 98.93 3krx s GLY 272 Ca 0.72 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3krx s GLY 272 CO 0.50 -0.39 -0.13 -0.42 0.00 0.00 0.00 173.10 172.66 3krx s ILE 273 N -3.66 3.13 -0.77 0.90 1.09 -0.37 -2.75 121.20 118.77 3krx s ILE 273 Ca 0.68 -0.67 0.06 0.00 -1.10 0.00 0.00 60.65 59.63 3krx s ILE 273 Cb -0.07 -2.28 0.07 0.00 -1.06 0.00 0.00 42.46 39.12 3krx s ILE 273 CO 0.50 0.56 0.77 0.35 -0.10 0.00 0.00 174.94 177.02 3krx n THR 274 N 2.92 0.14 0.00 2.92 -2.24 0.18 -4.10 114.28 114.11 3krx n THR 274 Ca -0.18 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3krx n THR 274 Cb 0.52 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3krx n THR 274 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3krx n SER 275 N 0.33 0.00 -3.81 3.42 3.41 -1.24 -4.50 113.62 111.22 3krx n SER 275 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 3krx n SER 275 Cb 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 3krx n SER 275 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3krx s VAL 276 N -2.00 0.01 -0.25 -3.33 -7.23 -1.26 -1.05 120.40 105.29 3krx s VAL 276 Ca 0.00 -0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 59.90 3krx s VAL 276 Cb 0.00 -0.30 0.07 0.00 0.56 0.00 0.00 36.38 36.70 3krx s VAL 276 CO 0.00 -0.04 0.65 -0.55 -0.31 0.00 0.00 175.10 174.85 3krx s SER 277 N -0.05 -0.75 0.29 4.85 0.15 -0.43 -4.68 113.70 113.08 3krx s SER 277 Ca -0.02 1.35 -0.10 0.00 0.70 0.00 0.00 55.95 57.88 3krx s SER 277 Cb -0.02 1.31 -0.07 0.00 -1.71 0.00 0.00 66.02 65.53 3krx s SER 277 CO 0.00 -0.23 0.63 -0.36 1.20 0.00 0.00 173.24 174.48 3krx s PHE 278 N 0.81 3.43 1.02 3.44 0.08 -1.26 -0.50 117.98 124.99 3krx s PHE 278 Ca -0.04 0.94 -0.14 0.00 0.12 0.00 0.00 56.93 57.81 3krx s PHE 278 Cb -0.05 -2.33 0.20 0.00 -0.57 0.00 0.00 43.02 40.27 3krx s PHE 278 CO -0.06 0.16 1.13 -1.54 -0.10 0.00 0.00 175.22 174.81 3krx s SER 279 N -2.58 2.52 0.25 1.36 1.04 -0.48 -4.72 113.70 111.09 3krx s SER 279 Ca 0.49 0.88 -0.06 0.00 0.48 0.00 0.00 55.95 57.74 3krx s SER 279 Cb -0.11 -1.36 0.28 0.00 0.10 0.00 0.00 66.02 64.93 3krx s SER 279 CO 0.23 -3.16 1.92 0.50 0.98 0.00 0.00 173.24 173.71 3krx h LYS 280 N -1.92 1.27 0.08 4.02 3.64 -1.90 -2.05 116.57 119.71 3krx h LYS 280 Ca -0.50 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 58.54 3krx h LYS 280 Cb 1.32 -0.29 0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3krx h LYS 280 CO 0.52 0.84 -1.13 0.66 -2.27 0.00 0.00 179.45 178.07 3krx h SER 281 N 1.30 0.62 0.00 4.20 4.64 -1.97 -3.47 113.55 118.88 3krx h SER 281 Ca 0.37 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3krx h SER 281 Cb -0.10 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3krx h SER 281 CO -0.10 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.87 3krx n GLY 282 N 1.25 0.76 0.26 -0.77 0.00 -0.77 -4.82 105.19 101.10 3krx n GLY 282 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3krx n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3krx h ARG 283 N 2.34 0.60 -5.42 1.61 9.65 -1.93 -3.43 114.38 117.80 3krx h ARG 283 Ca 0.00 -0.18 -0.63 0.00 -1.10 0.00 0.00 59.98 58.07 3krx h ARG 283 Cb 0.00 -0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 28.38 3krx h ARG 283 CO 0.00 0.70 -0.54 -0.51 2.80 0.00 0.00 179.97 182.42 3krx s LEU 284 N -8.94 3.96 -0.28 3.80 1.43 -1.26 -0.08 118.68 117.31 3krx s LEU 284 Ca -0.08 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3krx s LEU 284 Cb 0.14 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.42 3krx s LEU 284 CO 0.79 0.24 -0.03 -0.22 0.23 0.00 0.00 176.35 177.36 3krx s LEU 285 N -0.01 3.61 -0.22 1.79 2.96 -0.10 -1.38 118.68 125.33 3krx s LEU 285 Ca 0.07 -1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 52.70 3krx s LEU 285 Cb -0.12 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3krx s LEU 285 CO 0.01 -0.21 0.37 -0.76 -1.32 0.00 0.00 176.35 174.44 3krx s LEU 286 N 1.27 4.12 -0.08 -0.68 1.02 0.35 -0.25 118.68 124.44 3krx s LEU 286 Ca -0.03 0.42 0.05 0.00 0.02 0.00 0.00 54.13 54.58 3krx s LEU 286 Cb -0.19 -2.46 -0.01 0.00 0.02 0.00 0.00 46.19 43.56 3krx s LEU 286 CO -0.02 -0.10 -0.22 0.00 0.02 0.00 0.00 176.35 176.03 3krx s ALA 287 N 1.51 2.28 -0.08 4.21 0.00 -0.61 -1.32 121.76 127.75 3krx s ALA 287 Ca 0.17 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 3krx s ALA 287 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3krx s ALA 287 CO 0.08 0.38 0.29 0.20 0.00 0.00 0.00 175.76 176.70 3krx s GLY 288 N -0.03 2.30 0.18 0.00 0.00 -0.22 -0.79 107.32 108.77 3krx s GLY 288 Ca -0.07 -0.42 0.10 0.00 0.00 0.00 0.00 44.72 44.33 3krx s GLY 288 CO 0.05 0.03 -0.22 -0.19 0.00 0.00 0.00 173.10 172.77 3krx s TYR 289 N -0.68 2.10 -0.20 1.90 1.51 -0.56 0.52 117.35 121.93 3krx s TYR 289 Ca 0.19 -0.40 0.26 0.00 -1.01 0.00 0.00 57.07 56.11 3krx s TYR 289 Cb -0.14 -1.05 1.23 0.00 -0.11 0.00 0.00 41.96 41.89 3krx s TYR 289 CO 0.08 0.42 1.80 0.22 -1.11 0.00 0.00 175.55 176.96 3krx h ASP 290 N 3.28 0.00 -0.15 2.29 -0.00 -1.78 -2.84 116.42 117.21 3krx h ASP 290 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.56 3krx h ASP 290 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.52 3krx h ASP 290 CO 0.48 0.00 0.03 -0.90 -0.00 0.00 0.00 179.24 178.85 3krx n ASP 291 N -2.45 2.31 0.00 2.28 5.68 -1.26 -4.36 116.55 118.75 3krx n ASP 291 Ca 0.00 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3krx n ASP 291 Cb 0.17 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 3krx n ASP 291 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3krx n PHE 292 N 0.14 0.00 -4.34 2.11 0.99 -1.11 -4.98 117.46 110.27 3krx n PHE 292 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.19 3krx n PHE 292 Cb 0.53 -0.01 -0.09 0.00 -1.00 0.00 0.00 39.48 38.90 3krx n PHE 292 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3krx s ASN 293 N -3.86 5.15 -0.21 4.37 0.01 -1.26 -4.23 114.94 114.92 3krx s ASN 293 Ca 0.00 0.06 -0.15 0.00 -0.71 0.00 0.00 52.86 52.06 3krx s ASN 293 Cb 0.00 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 3krx s ASN 293 CO 0.00 0.33 0.35 0.00 -1.51 0.00 0.00 177.10 176.27 3krx s ASN 295 N 1.02 6.30 -0.22 0.00 0.02 0.03 0.16 114.94 122.25 3krx s ASN 295 Ca 0.17 0.64 0.02 0.00 -1.02 0.00 0.00 52.86 52.66 3krx s ASN 295 Cb -0.14 -2.11 0.05 0.00 0.02 0.00 0.00 41.25 39.06 3krx s ASN 295 CO 0.07 -0.38 -0.12 -0.69 0.02 0.00 0.00 177.10 176.00 3krx s VAL 296 N -2.43 1.93 -0.08 1.60 1.01 0.23 -1.58 120.40 121.08 3krx s VAL 296 Ca 0.43 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3krx s VAL 296 Cb -0.10 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3krx s VAL 296 CO 0.38 0.16 0.20 0.26 0.00 0.00 0.00 175.10 176.10 3krx s TRP 297 N 1.26 3.61 -0.43 5.22 0.52 0.66 0.59 118.94 130.37 3krx s TRP 297 Ca -0.03 0.58 -0.28 0.00 0.02 0.00 0.00 56.10 56.38 3krx s TRP 297 Cb -0.17 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 3krx s TRP 297 CO -0.08 0.70 1.53 0.34 0.02 0.00 0.00 176.95 179.47 3krx s ASP 298 N -1.22 6.13 0.33 2.95 -1.08 0.18 -0.92 116.67 123.04 3krx s ASP 298 Ca 0.19 0.83 0.04 0.00 -0.52 0.00 0.00 52.55 53.10 3krx s ASP 298 Cb -0.13 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 3krx s ASP 298 CO 0.08 -1.60 1.85 0.00 0.52 0.00 0.00 175.17 176.03 3krx h ALA 299 N 11.55 1.34 0.18 3.66 0.00 -0.78 0.19 119.26 135.39 3krx h ALA 299 Ca -0.29 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 3krx h ALA 299 Cb 1.12 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.80 3krx h ALA 299 CO 1.09 0.45 -1.13 -0.07 0.00 0.00 0.00 179.25 179.59 3krx h LEU 300 N 0.47 0.59 0.00 0.00 3.38 -1.89 -3.37 115.31 114.50 3krx h LEU 300 Ca 0.10 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3krx h LEU 300 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3krx h LEU 300 CO 0.02 1.54 -0.74 0.29 0.09 0.00 0.00 178.44 179.64 3krx n LYS 301 N -3.95 0.01 -1.56 1.13 5.02 -1.19 -4.47 118.16 113.14 3krx n LYS 301 Ca -0.16 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 3krx n LYS 301 Cb 0.94 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 3krx n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krx n ALA 302 N -1.51 -0.26 -2.71 7.82 0.00 0.65 -5.00 120.51 119.51 3krx n ALA 302 Ca 0.05 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 3krx n ALA 302 Cb 0.33 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3krx n ALA 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3krx s ASP 303 N -2.77 6.42 -0.54 0.00 1.01 -1.22 -4.83 116.67 114.74 3krx s ASP 303 Ca 0.00 0.49 -0.24 0.00 0.71 0.00 0.00 52.55 53.51 3krx s ASP 303 Cb 0.00 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.93 3krx s ASP 303 CO 0.00 -0.05 0.90 -0.60 0.21 0.00 0.00 175.17 175.63 3krx s ARG 304 N -3.22 3.32 0.11 8.23 3.52 -1.26 0.47 118.95 130.12 3krx s ARG 304 Ca 0.40 -0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 55.53 3krx s ARG 304 Cb -0.11 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 3krx s ARG 304 CO 0.28 -1.43 1.51 0.00 -0.81 0.00 0.00 175.30 174.85 3krx h ALA 305 N 9.26 0.49 -1.86 6.12 0.00 -0.16 -3.47 119.26 129.63 3krx h ALA 305 Ca -0.26 -0.32 0.37 0.00 0.00 0.00 0.00 54.91 54.70 3krx h ALA 305 Cb 1.08 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3krx h ALA 305 CO 1.07 0.37 0.94 0.20 0.00 0.00 0.00 179.25 181.82 3krx s GLY 306 N -3.46 -0.24 -0.06 0.00 0.00 -1.08 -3.25 107.32 99.23 3krx s GLY 306 Ca -0.13 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.89 3krx s GLY 306 CO 0.81 4.61 -0.14 0.14 0.00 0.00 0.00 173.10 178.52 3krx s VAL 307 N -2.07 1.26 -0.56 1.40 1.01 -1.26 0.75 120.40 120.94 3krx s VAL 307 Ca 0.27 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3krx s VAL 307 Cb 0.01 -1.13 0.06 0.00 0.00 0.00 0.00 36.38 35.32 3krx s VAL 307 CO -0.02 0.38 0.78 -0.76 0.00 0.00 0.00 175.10 175.47 3krx s LEU 308 N 0.51 4.69 -0.27 3.92 1.43 0.42 -4.87 118.68 124.52 3krx s LEU 308 Ca -0.13 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.13 3krx s LEU 308 Cb -0.15 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.62 3krx s LEU 308 CO 0.04 -1.10 0.01 0.00 0.23 0.00 0.00 176.35 175.52 3krx s ALA 309 N 3.23 1.97 0.00 4.21 0.00 -1.26 -1.26 121.76 128.66 3krx s ALA 309 Ca 0.20 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3krx s ALA 309 Cb -0.18 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3krx s ALA 309 CO 0.13 -1.39 0.38 0.41 0.00 0.00 0.00 175.76 175.29 3krx n GLY 310 N 4.66 0.01 3.49 0.00 0.00 -1.26 -5.08 105.19 107.02 3krx n GLY 310 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3krx n GLY 310 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krx s HIS 311 N 0.00 2.67 -1.88 1.61 3.76 -1.26 -5.02 115.29 115.17 3krx s HIS 311 Ca 0.00 -0.18 0.29 0.00 -0.15 0.00 0.00 55.06 55.02 3krx s HIS 311 Cb 0.00 -1.54 1.23 0.00 1.11 0.00 0.00 32.58 33.37 3krx s HIS 311 CO 0.00 0.26 1.85 -0.25 -0.85 0.00 0.00 174.74 175.75 3krx n ASP 312 N 1.76 0.68 -3.75 1.40 8.00 -1.26 -4.87 116.55 118.52 3krx n ASP 312 Ca -0.16 -0.86 -0.09 0.00 0.71 0.00 0.00 54.79 54.38 3krx n ASP 312 Cb 0.52 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 3krx n ASP 312 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3krx s ASN 313 N -2.31 0.02 -0.06 -2.24 3.84 -1.26 -4.88 114.94 108.05 3krx s ASN 313 Ca 0.33 -0.97 -0.29 0.00 0.21 0.00 0.00 52.86 52.14 3krx s ASN 313 Cb 0.20 0.65 -0.14 0.00 -0.55 0.00 0.00 41.25 41.42 3krx s ASN 313 CO 0.44 -1.26 0.81 -1.14 -2.79 0.00 0.00 177.10 173.16 3krx n ARG 314 N -0.44 0.00 -2.39 0.43 0.63 -1.26 -4.33 116.66 109.29 3krx n ARG 314 Ca -0.02 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.48 3krx n ARG 314 Cb 0.61 -1.05 -0.02 0.00 0.45 0.00 0.00 32.46 32.45 3krx n ARG 314 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3krx s VAL 315 N 0.36 3.87 -2.69 5.15 1.01 -1.09 -1.36 120.40 125.65 3krx s VAL 315 Ca 0.65 0.82 0.26 0.00 0.00 0.00 0.00 61.98 63.71 3krx s VAL 315 Cb -0.92 -4.36 0.41 0.00 0.00 0.00 0.00 36.38 31.51 3krx s VAL 315 CO 0.43 -0.99 1.55 -1.54 0.00 0.00 0.00 175.10 174.55 3krx n SER 316 N 9.14 2.12 0.00 3.32 3.41 0.87 -4.16 113.62 128.31 3krx n SER 316 Ca 0.14 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3krx n SER 316 Cb 0.49 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3krx n SER 316 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krx s LEU 318 N 0.00 0.02 0.00 0.00 0.05 -1.26 -1.20 118.68 116.28 3krx s LEU 318 Ca 0.00 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.07 3krx s LEU 318 Cb 0.00 2.76 0.00 0.00 -2.05 0.00 0.00 46.19 46.90 3krx s LEU 318 CO 0.00 -1.62 0.00 0.61 -0.55 0.00 0.00 176.35 174.79 3krx n GLY 319 N -0.56 2.13 3.87 -3.48 0.00 -1.00 -4.88 105.19 101.27 3krx n GLY 319 Ca -0.08 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3krx n GLY 319 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krx s VAL 320 N -0.57 4.82 0.79 1.61 1.01 -1.26 -2.09 120.40 124.72 3krx s VAL 320 Ca 0.00 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 3krx s VAL 320 Cb 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.79 3krx s VAL 320 CO 0.00 -0.27 1.09 0.42 0.00 0.00 0.00 175.10 176.35 3krx s THR 321 N -2.06 3.20 0.19 3.92 -4.23 -1.05 -4.89 115.64 110.71 3krx s THR 321 Ca 0.50 0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.28 3krx s THR 321 Cb -0.11 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.97 3krx s THR 321 CO 0.24 -0.51 1.80 0.44 -0.54 0.00 0.00 174.62 176.05 3krx h ASP 322 N -1.21 0.44 -0.04 3.99 5.19 -1.86 -2.79 116.42 120.14 3krx h ASP 322 Ca -0.44 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3krx h ASP 322 Cb 1.24 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3krx h ASP 322 CO 0.51 0.30 0.00 -0.90 -3.12 0.00 0.00 179.24 176.04 3krx n ASP 323 N -4.84 0.40 0.00 6.45 5.75 -1.26 -4.89 116.55 118.16 3krx n ASP 323 Ca 0.05 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3krx n ASP 323 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3krx n ASP 323 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3krx n GLY 324 N 0.87 0.25 0.26 6.12 0.00 -1.06 -4.86 105.19 106.78 3krx n GLY 324 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3krx n GLY 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3krx h MET 325 N 0.59 0.77 -3.63 1.61 2.86 -1.91 -3.47 114.93 111.76 3krx h MET 325 Ca 0.00 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 3krx h MET 325 Cb 0.46 -0.04 -0.16 0.00 0.06 0.00 0.00 31.60 31.93 3krx h MET 325 CO 0.00 0.92 -0.35 0.00 1.06 0.00 0.00 176.91 178.55 3krx s ALA 326 N -4.60 -0.37 0.06 6.32 0.00 -1.26 -4.79 121.76 117.12 3krx s ALA 326 Ca -0.09 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.53 3krx s ALA 326 Cb 0.13 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 3krx s ALA 326 CO 0.84 -0.45 -0.05 0.08 0.00 0.00 0.00 175.76 176.18 3krx s VAL 327 N -3.21 3.75 -0.09 0.00 1.01 0.03 -2.53 120.40 119.36 3krx s VAL 327 Ca -0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3krx s VAL 327 Cb 0.02 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3krx s VAL 327 CO -0.07 0.22 -0.23 0.00 0.00 0.00 0.00 175.10 175.02 3krx s ALA 328 N -1.17 2.05 -0.10 5.51 0.00 -0.89 0.42 121.76 127.58 3krx s ALA 328 Ca 0.22 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3krx s ALA 328 Cb -0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3krx s ALA 328 CO 0.13 0.28 -0.16 0.95 0.00 0.00 0.00 175.76 176.96 3krx s THR 329 N 0.33 2.82 -0.06 0.00 -4.23 0.46 -2.39 115.64 112.58 3krx s THR 329 Ca -0.17 -0.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 3krx s THR 329 Cb -0.17 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 3krx s THR 329 CO 0.08 0.55 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.71 3krx s GLY 330 N 0.01 1.47 0.17 3.99 0.00 -0.34 -0.49 107.32 112.12 3krx s GLY 330 Ca -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.68 3krx s GLY 330 CO 0.04 -0.71 0.01 -0.45 0.00 0.00 0.00 173.10 171.99 3krx s SER 331 N -0.53 1.06 0.08 1.64 0.15 -1.12 -0.09 113.70 114.88 3krx s SER 331 Ca 0.07 -1.18 0.18 0.00 0.70 0.00 0.00 55.95 55.72 3krx s SER 331 Cb -0.11 0.15 0.75 0.00 -1.71 0.00 0.00 66.02 65.09 3krx s SER 331 CO 0.01 -0.60 1.56 0.79 1.20 0.00 0.00 173.24 176.20 3krx n TRP 332 N -0.22 0.26 0.64 3.44 7.02 -0.46 -2.03 117.44 126.08 3krx n TRP 332 Ca -0.06 0.10 0.08 0.00 -1.02 0.00 0.00 57.50 56.60 3krx n TRP 332 Cb 0.63 -0.66 0.38 0.00 -2.42 0.00 0.00 31.31 29.25 3krx n TRP 332 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3krx n ASP 333 N -1.73 0.00 0.00 -0.99 5.68 -1.26 -4.29 116.55 113.96 3krx n ASP 333 Ca 0.03 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 3krx n ASP 333 Cb 0.20 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 3krx n ASP 333 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3krx n SER 334 N -1.45 0.00 -4.66 -1.12 3.41 -0.86 -4.97 113.62 103.97 3krx n SER 334 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.34 3krx n SER 334 Cb 0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3krx n SER 334 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3krx s PHE 335 N -2.38 3.02 0.33 7.33 0.08 -1.26 -4.22 117.98 120.88 3krx s PHE 335 Ca 0.00 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 3krx s PHE 335 Cb 0.00 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3krx s PHE 335 CO 0.00 0.44 0.57 -0.51 -0.10 0.00 0.00 175.22 175.62 3krx s LEU 336 N -1.51 3.99 -0.02 -0.37 1.02 -1.06 -2.80 118.68 117.93 3krx s LEU 336 Ca 0.19 0.63 -0.00 0.00 0.02 0.00 0.00 54.13 54.96 3krx s LEU 336 Cb -0.11 -3.48 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3krx s LEU 336 CO 0.09 -0.28 0.03 -0.54 0.02 0.00 0.00 176.35 175.68 3krx s LYS 337 N -3.99 -0.03 -0.13 1.70 1.02 0.35 -1.23 119.74 117.43 3krx s LYS 337 Ca 0.43 0.16 -0.15 0.00 0.02 0.00 0.00 55.97 56.43 3krx s LYS 337 Cb -0.10 -0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.96 3krx s LYS 337 CO 0.34 -0.14 0.37 0.42 -0.92 0.00 0.00 175.35 175.42 3krx s ILE 338 N 0.90 5.24 0.11 2.17 -1.09 -0.58 -0.40 121.20 127.55 3krx s ILE 338 Ca -0.08 0.71 0.10 0.00 -2.23 0.00 0.00 60.65 59.16 3krx s ILE 338 Cb -0.11 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3krx s ILE 338 CO -0.03 0.39 -0.26 0.26 -1.23 0.00 0.00 174.94 174.07 3krx s TRP 339 N 0.36 2.34 0.00 3.97 0.52 0.17 0.27 118.94 126.57 3krx s TRP 339 Ca 0.20 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.95 3krx s TRP 339 Cb -0.14 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 30.88 3krx s TRP 339 CO 0.07 0.29 0.00 0.27 0.02 0.00 0.00 176.95 177.60