#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cai s HIS 5 N 0.00 3.34 -0.21 1.24 5.65 0.16 -4.90 115.29 120.56 2cai s HIS 5 Ca 0.00 1.44 -0.05 0.00 0.25 0.00 0.00 55.06 56.70 2cai s HIS 5 Cb 0.00 -3.28 -0.02 0.00 -1.18 0.00 0.00 32.58 28.10 2cai s HIS 5 CO 0.00 -0.62 -0.01 0.42 -0.65 0.00 0.00 174.74 173.89 2cai s ILE 6 N 2.60 3.80 -0.16 0.89 1.01 -1.26 -0.82 121.20 127.26 2cai s ILE 6 Ca 0.49 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2cai s ILE 6 Cb -0.18 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2cai s ILE 6 CO 0.14 0.42 -0.18 -0.75 0.00 0.00 0.00 174.94 174.56 2cai s LYS 7 N 1.22 2.73 -0.23 2.79 2.20 -0.43 0.10 119.74 128.11 2cai s LYS 7 Ca 0.03 -0.73 -0.09 0.00 -0.36 0.00 0.00 55.97 54.82 2cai s LYS 7 Cb -0.15 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2cai s LYS 7 CO 0.01 -0.17 0.12 0.08 -0.36 0.00 0.00 175.35 175.03 2cai s VAL 8 N 1.23 4.99 -0.14 4.02 1.01 0.04 -1.10 120.40 130.45 2cai s VAL 8 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2cai s VAL 8 Cb -0.14 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2cai s VAL 8 CO -0.09 0.36 -0.20 -0.63 0.00 0.00 0.00 175.10 174.53 2cai s ILE 9 N 1.11 2.23 0.24 2.22 1.01 0.94 -0.54 121.20 128.41 2cai s ILE 9 Ca 0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.57 2cai s ILE 9 Cb -0.14 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.47 2cai s ILE 9 CO 0.04 0.54 0.72 -0.72 0.00 0.00 0.00 174.94 175.52 2cai s TYR 10 N 0.78 -0.26 -0.17 3.97 -0.85 -0.66 -1.29 117.35 118.87 2cai s TYR 10 Ca -0.07 -0.13 -0.13 0.00 -0.52 0.00 0.00 57.07 56.22 2cai s TYR 10 Cb -0.16 0.67 -0.22 0.00 0.38 0.00 0.00 41.96 42.63 2cai s TYR 10 CO -0.01 -1.11 0.24 1.19 -1.52 0.00 0.00 175.55 174.35 2cai n PHE 11 N -0.44 1.05 -3.92 -3.49 3.01 -1.26 -0.03 117.46 112.39 2cai n PHE 11 Ca -0.07 0.32 -0.28 0.00 1.01 0.00 0.00 57.45 58.43 2cai n PHE 11 Cb 0.60 -1.12 -0.16 0.00 -0.01 0.00 0.00 39.48 38.79 2cai n PHE 11 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2cai s ASN 12 N -6.97 2.82 0.37 4.37 -0.87 -1.26 -4.49 114.94 108.91 2cai s ASN 12 Ca -0.26 -0.64 0.11 0.00 -1.57 0.00 0.00 52.86 50.50 2cai s ASN 12 Cb 0.07 -0.97 0.89 0.00 -0.02 0.00 0.00 41.25 41.21 2cai s ASN 12 CO 0.67 -0.16 1.85 1.23 -2.57 0.00 0.00 177.10 178.12 2cai h GLY 13 N 8.10 1.21 -3.03 0.66 0.00 -1.99 0.25 103.07 108.27 2cai h GLY 13 Ca -0.27 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2cai h GLY 13 CO 0.42 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.53 2cai n ARG 14 N -4.58 3.91 0.00 4.80 1.74 -1.26 -3.89 116.66 117.38 2cai n ARG 14 Ca 0.19 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 2cai n ARG 14 Cb 0.56 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2cai n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cai n GLY 15 N 0.86 1.34 0.24 -0.13 0.00 0.08 -4.87 105.19 102.71 2cai n GLY 15 Ca 0.24 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.71 2cai n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2cai h ARG 16 N 0.00 0.00 0.00 1.61 3.08 -1.90 -1.85 114.38 115.32 2cai h ARG 16 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cai h ARG 16 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2cai h ARG 16 CO 0.00 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 2cai n ALA 17 N -2.36 1.84 -0.35 0.04 0.00 -1.26 -4.07 120.51 114.34 2cai n ALA 17 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2cai n ALA 17 Cb 0.28 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.57 2cai n ALA 17 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cai h GLU 18 N 0.00 1.08 -0.11 0.00 4.81 -1.44 -0.94 114.58 117.97 2cai h GLU 18 Ca 0.00 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2cai h GLU 18 Cb 0.35 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2cai h GLU 18 CO 0.00 0.71 -0.24 0.66 -0.73 0.00 0.00 179.01 179.41 2cai h SER 19 N 1.11 0.19 0.35 1.04 4.64 -1.81 0.27 113.55 119.34 2cai h SER 19 Ca 0.42 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 2cai h SER 19 Cb 0.18 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2cai h SER 19 CO -0.18 0.44 -0.17 0.40 -0.87 0.00 0.00 176.83 176.46 2cai h ILE 20 N 0.18 0.56 -0.45 0.95 2.04 -1.47 -1.04 117.51 118.28 2cai h ILE 20 Ca 0.03 -0.65 0.09 0.00 1.00 0.00 0.00 64.86 65.33 2cai h ILE 20 Cb 0.53 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 2cai h ILE 20 CO 0.04 0.11 -0.14 -0.07 0.00 0.00 0.00 178.15 178.09 2cai h LEU 21 N -0.88 -0.49 -1.31 1.44 4.07 -1.06 -0.69 115.31 116.39 2cai h LEU 21 Ca -0.05 0.14 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 2cai h LEU 21 Cb 0.53 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2cai h LEU 21 CO 0.08 -0.17 -0.19 0.24 -1.08 0.00 0.00 178.44 177.32 2cai h MET 22 N -0.03 0.23 -0.23 1.13 2.86 -0.47 -1.57 114.93 116.85 2cai h MET 22 Ca 0.22 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2cai h MET 22 Cb 0.36 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2cai h MET 22 CO -0.48 0.42 -0.25 1.15 1.06 0.00 0.00 176.91 178.81 2cai h THR 23 N 0.21 1.32 -0.16 2.22 2.02 -0.27 0.64 112.91 118.89 2cai h THR 23 Ca 0.04 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2cai h THR 23 Cb 0.46 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2cai h THR 23 CO 0.03 0.44 0.11 -0.07 0.37 0.00 0.00 175.52 176.40 2cai h LEU 24 N 0.27 0.19 0.13 2.58 3.38 -0.88 -0.90 115.31 120.09 2cai h LEU 24 Ca 0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2cai h LEU 24 Cb 0.80 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2cai h LEU 24 CO 0.06 0.15 -0.30 0.58 0.09 0.00 0.00 178.44 179.02 2cai h VAL 25 N 0.22 0.35 -0.44 1.22 2.07 -1.21 0.12 116.25 118.58 2cai h VAL 25 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2cai h VAL 25 Cb -0.01 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2cai h VAL 25 CO -0.01 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.87 2cai h ALA 26 N 0.14 1.85 0.00 1.67 0.00 -0.73 -0.57 119.26 121.62 2cai h ALA 26 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cai h ALA 26 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2cai h ALA 26 CO -0.17 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2cai n ALA 27 N -2.50 2.25 -2.49 0.00 0.00 -0.36 -4.93 120.51 112.49 2cai n ALA 27 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2cai n ALA 27 Cb 0.17 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.17 2cai n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cai n GLY 28 N 1.28 0.03 3.64 0.00 0.00 -0.22 -5.02 105.19 104.90 2cai n GLY 28 Ca 0.06 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2cai n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cai s VAL 29 N -2.74 5.23 0.37 1.61 1.01 -0.08 -5.03 120.40 120.78 2cai s VAL 29 Ca 0.10 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2cai s VAL 29 Cb -0.04 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 2cai s VAL 29 CO 0.12 0.23 1.17 0.20 0.00 0.00 0.00 175.10 176.82 2cai s ASN 30 N 1.34 6.69 0.08 3.32 0.02 -1.26 -4.45 114.94 120.68 2cai s ASN 30 Ca 0.14 2.36 -0.23 0.00 -1.02 0.00 0.00 52.86 54.11 2cai s ASN 30 Cb -0.15 -2.62 0.06 0.00 0.02 0.00 0.00 41.25 38.56 2cai s ASN 30 CO 0.08 -0.56 0.54 -0.72 0.02 0.00 0.00 177.10 176.47 2cai s TYR 31 N -1.36 -0.45 -0.12 2.20 -0.85 -1.26 -4.56 117.35 110.96 2cai s TYR 31 Ca 0.54 0.43 -0.09 0.00 -0.52 0.00 0.00 57.07 57.43 2cai s TYR 31 Cb -0.31 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2cai s TYR 31 CO 0.40 -0.70 0.18 -2.00 -1.52 0.00 0.00 175.55 171.91 2cai s GLU 32 N -2.83 3.70 -0.05 -3.49 2.12 0.11 -5.01 118.70 113.26 2cai s GLU 32 Ca -0.03 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 2cai s GLU 32 Cb -0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 2cai s GLU 32 CO -0.05 0.64 0.50 -0.51 -0.54 0.00 0.00 175.26 175.30 2cai s ASP 33 N -0.68 6.81 -0.50 -1.70 1.11 -1.26 -0.78 116.67 119.68 2cai s ASP 33 Ca 0.15 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.88 2cai s ASP 33 Cb -0.12 -2.30 0.15 0.00 1.07 0.00 0.00 42.92 41.71 2cai s ASP 33 CO 0.04 0.11 0.31 -0.70 1.18 0.00 0.00 175.17 176.12 2cai s GLU 34 N -0.06 1.52 -0.10 8.23 2.12 0.30 -4.91 118.70 125.80 2cai s GLU 34 Ca 0.27 -2.35 -0.29 0.00 0.36 0.00 0.00 54.97 52.95 2cai s GLU 34 Cb -0.17 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 2cai s GLU 34 CO 0.13 -1.23 0.98 0.50 -0.54 0.00 0.00 175.26 175.11 2cai s ARG 35 N -0.13 4.42 -0.24 4.30 3.00 -1.26 -1.66 118.95 127.38 2cai s ARG 35 Ca 0.22 1.35 -0.07 0.00 -1.00 0.00 0.00 55.73 56.23 2cai s ARG 35 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 34.95 31.24 2cai s ARG 35 CO -0.07 -0.28 0.07 0.42 0.00 0.00 0.00 175.30 175.43 2cai s ILE 36 N 1.90 4.35 0.73 4.11 -1.09 0.96 -4.95 121.20 127.21 2cai s ILE 36 Ca 0.48 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.63 2cai s ILE 36 Cb -0.18 -3.02 0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2cai s ILE 36 CO 0.18 0.35 1.07 -0.94 -1.23 0.00 0.00 174.94 174.38 2cai s SER 37 N 1.48 5.00 0.54 3.58 1.04 -1.26 -4.43 113.70 119.64 2cai s SER 37 Ca 0.06 1.67 0.22 0.00 0.48 0.00 0.00 55.95 58.38 2cai s SER 37 Cb -0.15 -2.48 1.41 0.00 0.10 0.00 0.00 66.02 64.90 2cai s SER 37 CO 0.04 -1.70 2.09 -0.26 0.98 0.00 0.00 173.24 174.38 2cai h PHE 38 N -0.90 0.00 -0.01 5.02 0.04 -1.99 -2.37 116.94 116.74 2cai h PHE 38 Ca -0.44 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.12 2cai h PHE 38 Cb 1.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 2cai h PHE 38 CO 0.60 0.00 -0.90 0.37 -0.60 0.00 0.00 178.31 177.78 2cai h GLN 39 N 0.00 0.33 0.00 1.51 4.15 -2.01 -3.23 115.11 115.87 2cai h GLN 39 Ca 0.11 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2cai h GLN 39 Cb 0.48 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2cai h GLN 39 CO -0.00 1.04 -0.47 -0.25 -1.93 0.00 0.00 178.83 177.22 2cai n ASP 40 N -3.73 0.62 0.10 -0.69 10.43 -0.97 -4.50 116.55 117.82 2cai n ASP 40 Ca -0.05 0.14 -0.12 0.00 2.57 0.00 0.00 54.79 57.33 2cai n ASP 40 Cb 0.81 -0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.72 2cai n ASP 40 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 2cai h TRP 41 N 0.00 -0.63 -0.75 1.24 -0.00 -1.46 -3.24 115.95 111.12 2cai h TRP 41 Ca 0.00 0.01 -0.42 0.00 -0.00 0.00 0.00 58.89 58.49 2cai h TRP 41 Cb 0.68 0.26 -0.06 0.00 -0.00 0.00 0.00 29.16 30.04 2cai h TRP 41 CO 0.00 -0.33 1.17 -1.25 -0.00 0.00 0.00 178.44 178.02 2cai s PRO 42 N -6.08 2.94 0.19 2.65 0.04 -1.26 0.93 135.00 134.40 2cai s PRO 42 Ca -0.15 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 59.98 2cai s PRO 42 Cb 0.08 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2cai s PRO 42 CO 0.65 -3.15 0.00 1.17 0.04 0.00 0.00 177.00 175.72 2cai n LYS 43 N 8.66 0.00 0.00 4.56 4.81 -1.22 -4.77 118.16 130.19 2cai n LYS 43 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2cai n LYS 43 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 2cai n LYS 43 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2cai n ILE 44 N -2.84 0.00 -0.24 3.15 2.08 -1.26 -4.47 119.36 115.78 2cai n ILE 44 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 2cai n ILE 44 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.04 2cai n ILE 44 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2cai h LYS 45 N 0.00 0.15 -0.48 0.38 3.64 0.29 0.26 116.57 120.81 2cai h LYS 45 Ca 0.00 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2cai h LYS 45 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2cai h LYS 45 CO 0.00 0.10 0.33 -1.35 -2.27 0.00 0.00 179.45 176.26 2cai h PRO 46 N 0.15 0.17 0.00 1.90 0.12 -1.83 -2.21 132.00 130.30 2cai h PRO 46 Ca 0.39 -0.01 -0.01 0.00 0.12 0.00 0.00 66.00 66.49 2cai h PRO 46 Cb 0.67 -0.04 -0.00 0.00 0.12 0.00 0.00 31.00 31.75 2cai h PRO 46 CO -0.58 0.11 -0.04 1.15 0.12 0.00 0.00 178.00 178.76 2cai h THR 47 N 0.17 0.10 -3.62 -1.15 2.02 -0.74 -3.44 112.91 106.25 2cai h THR 47 Ca 0.22 -0.67 -0.65 0.00 0.77 0.00 0.00 66.41 66.08 2cai h THR 47 Cb 0.66 1.61 -0.22 0.00 -1.74 0.00 0.00 68.15 68.46 2cai h THR 47 CO -0.03 0.04 -0.62 -0.63 0.37 0.00 0.00 175.52 174.65 2cai s ILE 48 N -3.62 4.34 0.07 3.11 1.01 -0.83 -5.05 121.20 120.22 2cai s ILE 48 Ca 0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 2cai s ILE 48 Cb 0.09 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 2cai s ILE 48 CO 0.57 0.35 1.17 -2.16 0.00 0.00 0.00 174.94 174.87 2cai s PRO 49 N 1.54 4.46 -0.22 2.79 0.04 -1.26 -4.12 135.00 138.22 2cai s PRO 49 Ca 0.06 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 2cai s PRO 49 Cb -0.15 -3.35 0.10 0.00 0.04 0.00 0.00 34.50 31.14 2cai s PRO 49 CO 0.04 -0.21 0.21 0.20 0.04 0.00 0.00 177.00 177.28 2cai s GLY 50 N 0.93 0.04 -0.43 0.56 0.00 -1.26 -4.54 107.32 102.62 2cai s GLY 50 Ca 0.57 0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.41 2cai s GLY 50 CO 0.30 2.18 0.62 0.61 0.00 0.00 0.00 173.10 176.81 2cai n GLY 51 N 5.31 1.66 3.09 0.20 0.00 -1.26 -5.11 105.19 109.09 2cai n GLY 51 Ca -0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 2cai n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cai s ARG 52 N -0.30 0.70 0.25 1.61 0.52 -1.26 -5.03 118.95 115.43 2cai s ARG 52 Ca 0.33 -0.68 0.09 0.00 -0.52 0.00 0.00 55.73 54.96 2cai s ARG 52 Cb 0.16 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 2cai s ARG 52 CO -0.16 0.15 -0.03 -0.51 0.02 0.00 0.00 175.30 174.77 2cai s LEU 53 N -1.18 3.14 0.71 2.53 1.43 -1.26 -4.35 118.68 119.70 2cai s LEU 53 Ca -0.03 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 2cai s LEU 53 Cb -0.08 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2cai s LEU 53 CO 0.01 0.02 1.25 -2.65 0.23 0.00 0.00 176.35 175.22 2cai n PRO 54 N -0.69 0.74 -3.91 1.29 -0.02 -1.26 -5.00 135.00 126.16 2cai n PRO 54 Ca -0.07 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 2cai n PRO 54 Cb 0.58 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2cai n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cai s ALA 55 N -1.68 -0.09 -0.14 3.55 0.00 -0.41 -4.39 121.76 118.60 2cai s ALA 55 Ca 0.79 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2cai s ALA 55 Cb -0.35 0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2cai s ALA 55 CO 0.44 -0.12 -0.20 0.08 0.00 0.00 0.00 175.76 175.96 2cai s VAL 56 N -0.90 2.25 -0.26 0.00 1.01 -0.19 -0.04 120.40 122.27 2cai s VAL 56 Ca -0.10 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 2cai s VAL 56 Cb -0.06 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2cai s VAL 56 CO 0.00 0.54 0.16 -0.75 0.00 0.00 0.00 175.10 175.05 2cai s LYS 57 N 0.77 3.92 -0.23 2.72 2.20 -0.26 -0.42 119.74 128.43 2cai s LYS 57 Ca -0.08 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.14 2cai s LYS 57 Cb -0.16 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2cai s LYS 57 CO -0.00 -0.12 0.01 0.42 -0.36 0.00 0.00 175.35 175.30 2cai s ILE 58 N 1.54 3.79 -0.16 5.43 -1.09 0.97 -1.31 121.20 130.36 2cai s ILE 58 Ca 0.07 -0.35 -0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2cai s ILE 58 Cb -0.15 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2cai s ILE 58 CO 0.08 0.39 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.17 2cai s THR 59 N 1.52 2.99 0.89 2.92 2.01 -0.00 0.14 115.64 126.11 2cai s THR 59 Ca 0.06 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 2cai s THR 59 Cb -0.15 -2.29 0.20 0.00 0.01 0.00 0.00 72.50 70.28 2cai s THR 59 CO -0.00 0.50 1.21 -0.90 -0.69 0.00 0.00 174.62 174.74 2cai n ASP 60 N 4.04 0.27 0.22 3.53 5.68 -0.41 0.36 116.55 130.23 2cai n ASP 60 Ca -0.19 -1.55 0.15 0.00 -0.50 0.00 0.00 54.79 52.71 2cai n ASP 60 Cb 0.52 -0.91 0.67 0.00 -1.14 0.00 0.00 41.12 40.25 2cai n ASP 60 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2cai h ASN 61 N -1.49 0.00 -0.65 -1.12 2.35 -1.98 -1.45 115.58 111.23 2cai h ASN 61 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2cai h ASN 61 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2cai h ASN 61 CO 0.29 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.48 2cai n HIS 62 N -2.68 1.13 -0.69 1.19 8.25 -1.26 -4.96 115.22 116.21 2cai n HIS 62 Ca 0.01 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 2cai n HIS 62 Cb 0.22 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2cai n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cai n GLY 63 N 1.28 0.86 3.75 -1.41 0.00 -0.55 -5.04 105.19 104.08 2cai n GLY 63 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2cai n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2cai s HIS 64 N -3.39 3.39 -0.17 1.61 3.76 -1.26 -4.77 115.29 114.46 2cai s HIS 64 Ca 0.00 1.45 -0.03 0.00 -0.15 0.00 0.00 55.06 56.34 2cai s HIS 64 Cb 0.00 -3.45 -0.02 0.00 1.11 0.00 0.00 32.58 30.22 2cai s HIS 64 CO 0.00 -1.24 -0.07 0.08 -0.85 0.00 0.00 174.74 172.66 2cai s VAL 65 N -0.40 3.51 0.06 -0.90 1.01 -1.26 -1.29 120.40 121.12 2cai s VAL 65 Ca 0.51 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.09 2cai s VAL 65 Cb -0.34 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2cai s VAL 65 CO 0.40 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 175.21 2cai s LYS 66 N 0.68 1.84 0.04 2.72 1.02 0.12 -4.97 119.74 121.19 2cai s LYS 66 Ca -0.03 -1.10 0.06 0.00 0.02 0.00 0.00 55.97 54.91 2cai s LYS 66 Cb -0.15 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2cai s LYS 66 CO 0.02 0.51 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.25 2cai s TRP 67 N -0.90 2.67 -0.02 3.18 0.52 -1.26 -0.02 118.94 123.12 2cai s TRP 67 Ca 0.13 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.13 2cai s TRP 67 Cb -0.10 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 2cai s TRP 67 CO 0.04 0.30 -0.18 -1.64 0.02 0.00 0.00 176.95 175.49 2cai s MET 68 N -1.51 1.53 0.33 4.98 -1.94 0.43 -4.99 119.30 118.13 2cai s MET 68 Ca 0.16 -0.66 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 2cai s MET 68 Cb -0.11 -1.46 -0.05 0.00 2.01 0.00 0.00 34.83 35.23 2cai s MET 68 CO 0.07 0.38 0.10 0.14 -0.01 0.00 0.00 175.02 175.70 2cai s VAL 69 N -0.39 0.73 -0.10 -6.03 -7.23 -1.26 -1.02 120.40 105.11 2cai s VAL 69 Ca 0.06 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2cai s VAL 69 Cb -0.08 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2cai s VAL 69 CO -0.00 0.00 0.01 1.21 -0.31 0.00 0.00 175.10 176.00 2cai n GLU 70 N -0.67 -1.18 -0.08 4.82 4.07 -1.26 -4.49 120.64 121.84 2cai n GLU 70 Ca -0.02 1.28 -0.07 0.00 -0.06 0.00 0.00 57.16 58.29 2cai n GLU 70 Cb 0.66 -2.44 -0.00 0.00 -0.06 0.00 0.00 31.44 29.59 2cai n GLU 70 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2cai h SER 71 N 1.03 -0.51 1.04 4.31 0.02 -1.88 -0.22 113.55 117.35 2cai h SER 71 Ca -0.01 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2cai h SER 71 Cb 0.03 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2cai h SER 71 CO 0.03 -0.19 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.40 2cai h LEU 72 N -0.11 0.00 -0.05 5.07 3.38 -1.92 0.20 115.31 121.87 2cai h LEU 72 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 2cai h LEU 72 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2cai h LEU 72 CO -0.37 0.07 -0.73 0.00 0.09 0.00 0.00 178.44 177.49 2cai h ALA 73 N 1.93 0.16 0.04 1.53 0.00 -1.41 -1.73 119.26 119.78 2cai h ALA 73 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2cai h ALA 73 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cai h ALA 73 CO 0.01 0.51 -0.02 0.82 0.00 0.00 0.00 179.25 180.57 2cai h ILE 74 N 0.20 1.01 -0.37 0.00 2.04 -0.47 -1.01 117.51 118.92 2cai h ILE 74 Ca -0.08 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2cai h ILE 74 Cb 1.40 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 2cai h ILE 74 CO 0.15 0.04 0.01 0.00 0.00 0.00 0.00 178.15 178.35 2cai h ALA 75 N 0.82 0.34 -0.55 1.87 0.00 -0.70 0.11 119.26 121.15 2cai h ALA 75 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2cai h ALA 75 Cb 0.12 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2cai h ALA 75 CO 0.01 -0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.21 2cai h ARG 76 N 0.11 0.66 0.47 0.00 3.08 -1.23 0.18 114.38 117.64 2cai h ARG 76 Ca 0.18 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2cai h ARG 76 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2cai h ARG 76 CO -0.29 0.43 -0.37 -0.92 -1.07 0.00 0.00 179.97 177.75 2cai h TYR 77 N 0.68 -0.99 -0.61 3.04 5.03 -0.38 0.12 116.97 123.85 2cai h TYR 77 Ca 0.22 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.63 2cai h TYR 77 Cb 0.00 0.37 -0.08 0.00 1.55 0.00 0.00 36.73 38.58 2cai h TYR 77 CO -0.06 -0.54 0.21 0.52 -1.32 0.00 0.00 178.16 176.98 2cai h MET 78 N -0.83 0.36 -0.39 1.82 2.86 -0.56 -0.46 114.93 117.73 2cai h MET 78 Ca -0.05 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2cai h MET 78 Cb 0.71 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2cai h MET 78 CO -0.00 0.24 0.01 0.00 1.06 0.00 0.00 176.91 178.22 2cai h ALA 79 N 1.44 0.52 -0.28 6.32 0.00 -0.51 -2.47 119.26 124.28 2cai h ALA 79 Ca 0.31 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2cai h ALA 79 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2cai h ALA 79 CO -0.33 0.29 0.16 -0.22 0.00 0.00 0.00 179.25 179.15 2cai h LYS 80 N 0.51 0.32 -0.40 0.00 1.63 -0.25 0.69 116.57 119.08 2cai h LYS 80 Ca 0.11 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 2cai h LYS 80 Cb 0.45 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2cai h LYS 80 CO 0.02 0.21 0.27 -0.22 -3.45 0.00 0.00 179.45 176.28 2cai h LYS 81 N 0.33 0.31 -0.42 1.90 3.64 -0.99 -2.79 116.57 118.55 2cai h LYS 81 Ca 0.11 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 2cai h LYS 81 Cb 0.00 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 31.61 2cai h LYS 81 CO -0.05 0.20 -0.08 0.72 -2.27 0.00 0.00 179.45 177.97 2cai n HIS 82 N -4.48 1.32 -3.81 1.91 8.25 -0.94 -4.96 115.22 112.51 2cai n HIS 82 Ca 0.05 -1.72 -0.27 0.00 -0.26 0.00 0.00 57.72 55.52 2cai n HIS 82 Cb 0.24 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 30.85 2cai n HIS 82 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2cai n HIS 83 N -1.10 -2.22 -1.17 4.41 8.25 -0.54 -4.89 115.22 117.96 2cai n HIS 83 Ca 0.36 0.89 0.08 0.00 -0.26 0.00 0.00 57.72 58.79 2cai n HIS 83 Cb 1.04 -4.22 0.18 0.00 1.12 0.00 0.00 29.99 28.11 2cai n HIS 83 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2cai n MET 84 N -4.57 1.69 -0.17 -0.41 2.81 0.23 -4.52 117.12 112.19 2cai n MET 84 Ca -0.08 -2.80 0.06 0.00 -1.81 0.00 0.00 57.70 53.07 2cai n MET 84 Cb 0.58 -1.61 0.13 0.00 -0.71 0.00 0.00 33.22 31.61 2cai n MET 84 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2cai n MET 85 N -1.19 2.59 0.00 0.03 2.81 -1.25 -1.01 117.12 119.11 2cai n MET 85 Ca 0.19 -2.19 0.00 0.00 -1.81 0.00 0.00 57.70 53.89 2cai n MET 85 Cb 0.73 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 2cai n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2cai n GLY 86 N -0.40 2.41 0.00 3.03 0.00 -1.26 -3.82 105.19 105.14 2cai n GLY 86 Ca 0.11 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.42 2cai n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cai n GLY 87 N 1.47 -0.70 3.21 -0.02 0.00 -1.26 -4.76 105.19 103.13 2cai n GLY 87 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2cai n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cai s THR 88 N -2.82 0.35 0.33 2.61 -4.23 -1.26 -5.03 115.64 105.59 2cai s THR 88 Ca 0.03 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 2cai s THR 88 Cb 0.13 -2.21 0.31 0.00 1.34 0.00 0.00 72.50 72.07 2cai s THR 88 CO 0.73 -0.35 1.83 -0.33 -0.54 0.00 0.00 174.62 175.96 2cai h GLU 89 N 2.71 0.73 -0.01 3.99 5.08 -1.97 -0.71 114.58 124.41 2cai h GLU 89 Ca -0.36 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 57.76 2cai h GLU 89 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2cai h GLU 89 CO 0.60 0.49 -0.84 1.49 -1.00 0.00 0.00 179.01 179.74 2cai h GLU 90 N 0.76 0.20 -0.49 2.33 4.57 -1.99 -2.28 114.58 117.68 2cai h GLU 90 Ca 0.50 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 2cai h GLU 90 Cb 0.77 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2cai h GLU 90 CO -0.27 0.93 0.10 0.93 -1.18 0.00 0.00 179.01 179.53 2cai h GLU 91 N 0.12 0.80 -0.54 1.92 5.08 -1.79 -2.02 114.58 118.15 2cai h GLU 91 Ca -0.04 -0.20 0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2cai h GLU 91 Cb 1.46 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 2cai h GLU 91 CO 0.13 0.78 0.11 -0.92 -1.00 0.00 0.00 179.01 178.11 2cai h TYR 92 N 0.68 0.17 -0.34 4.33 3.20 -1.11 0.52 116.97 124.41 2cai h TYR 92 Ca 0.15 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2cai h TYR 92 Cb 0.36 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2cai h TYR 92 CO 0.02 -0.01 0.08 -0.92 -1.64 0.00 0.00 178.16 175.69 2cai h TYR 93 N 0.25 0.13 -0.26 -3.82 5.03 -1.19 -0.43 116.97 116.68 2cai h TYR 93 Ca 0.27 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.51 2cai h TYR 93 Cb 0.38 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 2cai h TYR 93 CO -0.24 0.03 -0.24 -0.91 -1.32 0.00 0.00 178.16 175.48 2cai h ASN 94 N 0.20 0.49 0.16 -2.11 2.35 -0.59 0.39 115.58 116.47 2cai h ASN 94 Ca 0.16 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2cai h ASN 94 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2cai h ASN 94 CO -0.20 0.73 -0.13 0.58 -1.65 0.00 0.00 177.43 176.76 2cai h VAL 95 N 0.43 0.71 -0.39 2.81 2.07 -0.70 -1.13 116.25 120.05 2cai h VAL 95 Ca 0.06 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 2cai h VAL 95 Cb 0.66 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2cai h VAL 95 CO 0.05 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.20 2cai h GLU 96 N -0.31 0.69 -0.01 1.57 4.39 -0.55 0.03 114.58 120.40 2cai h GLU 96 Ca -0.00 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.48 2cai h GLU 96 Cb 0.28 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2cai h GLU 96 CO -0.02 0.79 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.37 2cai h LYS 97 N 0.63 -0.05 -0.68 2.33 3.64 -0.14 -0.75 116.57 121.55 2cai h LYS 97 Ca 0.11 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2cai h LYS 97 Cb 0.56 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2cai h LYS 97 CO 0.03 -0.03 0.15 -0.07 -2.27 0.00 0.00 179.45 177.26 2cai h LEU 98 N -0.05 1.04 -0.40 5.20 3.38 -0.86 0.12 115.31 123.73 2cai h LEU 98 Ca 0.02 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2cai h LEU 98 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2cai h LEU 98 CO -0.04 1.01 0.20 0.40 0.09 0.00 0.00 178.44 180.10 2cai h ILE 99 N 1.04 0.98 -0.38 1.22 2.04 -0.88 0.17 117.51 121.69 2cai h ILE 99 Ca 0.21 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2cai h ILE 99 Cb 0.39 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2cai h ILE 99 CO 0.01 0.07 0.07 1.23 0.00 0.00 0.00 178.15 179.52 2cai h GLY 100 N 0.41 0.68 1.01 5.37 0.00 -0.80 0.18 103.07 109.93 2cai h GLY 100 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2cai h GLY 100 CO -0.12 0.42 0.47 1.46 0.00 0.00 0.00 176.54 178.77 2cai h GLN 101 N 0.48 1.11 -0.73 4.80 4.20 -0.52 0.29 115.11 124.74 2cai h GLN 101 Ca 0.12 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2cai h GLN 101 Cb 0.36 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2cai h GLN 101 CO 0.01 0.80 0.22 0.00 -0.67 0.00 0.00 178.83 179.19 2cai h ALA 102 N 1.25 0.96 -0.01 3.87 0.00 -0.27 -2.67 119.26 122.39 2cai h ALA 102 Ca 0.29 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2cai h ALA 102 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2cai h ALA 102 CO -0.05 0.65 -0.58 0.93 0.00 0.00 0.00 179.25 180.20 2cai h GLU 103 N 1.09 0.02 -0.56 0.00 4.39 -0.13 0.69 114.58 120.08 2cai h GLU 103 Ca 0.24 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.98 2cai h GLU 103 Cb 0.31 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2cai h GLU 103 CO -0.01 0.59 0.29 -0.44 -1.16 0.00 0.00 179.01 178.28 2cai h ASP 104 N 0.01 0.41 -0.51 1.42 3.45 -0.20 -0.87 116.42 120.14 2cai h ASP 104 Ca -0.01 0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.43 2cai h ASP 104 Cb 1.03 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 2cai h ASP 104 CO 0.08 0.27 0.08 0.25 -1.57 0.00 0.00 179.24 178.35 2cai h LEU 105 N 0.55 0.81 -1.59 1.55 5.85 -1.13 -2.74 115.31 118.60 2cai h LEU 105 Ca 0.25 -0.26 0.16 0.00 0.84 0.00 0.00 57.88 58.87 2cai h LEU 105 Cb 0.17 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2cai h LEU 105 CO -0.18 0.86 0.52 -0.08 -0.34 0.00 0.00 178.44 179.22 2cai h GLU 106 N 0.72 0.38 -0.48 1.25 4.57 -0.51 -2.38 114.58 118.14 2cai h GLU 106 Ca 0.15 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2cai h GLU 106 Cb 0.40 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2cai h GLU 106 CO 0.01 0.25 0.14 1.25 -1.18 0.00 0.00 179.01 179.48 2cai h HIS 107 N 0.40 0.78 -0.40 0.92 2.76 -0.85 0.82 115.15 119.58 2cai h HIS 107 Ca 0.38 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.49 2cai h HIS 107 Cb 0.92 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2cai h HIS 107 CO -0.00 0.69 0.23 0.93 -1.30 0.00 0.00 177.93 178.48 2cai h GLU 108 N 0.64 0.44 -0.98 5.26 4.39 -1.44 -2.76 114.58 120.14 2cai h GLU 108 Ca 0.15 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2cai h GLU 108 Cb 0.29 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2cai h GLU 108 CO -0.00 0.29 0.64 -0.92 -1.16 0.00 0.00 179.01 177.86 2cai h TYR 109 N 0.46 1.20 -0.07 4.33 3.20 -1.10 -1.48 116.97 123.51 2cai h TYR 109 Ca 0.16 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2cai h TYR 109 Cb 0.03 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2cai h TYR 109 CO -0.08 0.69 0.08 1.88 -1.64 0.00 0.00 178.16 179.09 2cai h TYR 110 N 1.24 0.00 0.00 -3.82 0.99 -0.56 -2.02 116.97 112.81 2cai h TYR 110 Ca 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 2cai h TYR 110 Cb 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.73 2cai h TYR 110 CO -0.00 0.00 -0.03 0.87 -0.00 0.00 0.00 178.16 179.00 2cai h LYS 111 N 0.00 0.00 0.00 4.88 1.57 -1.22 -2.56 116.57 119.24 2cai h LYS 111 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2cai h LYS 111 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2cai h LYS 111 CO -0.00 0.03 -0.39 0.25 -0.57 0.00 0.00 179.45 178.76 2cai n THR 112 N -3.33 0.01 -2.63 -0.16 -2.24 -0.76 -4.93 114.28 100.26 2cai n THR 112 Ca -0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 2cai n THR 112 Cb 0.15 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 2cai n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cai s LEU 113 N -3.05 4.56 -1.00 3.22 1.43 -0.97 -4.08 118.68 118.80 2cai s LEU 113 Ca 0.11 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 2cai s LEU 113 Cb 0.18 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2cai s LEU 113 CO 0.66 -0.02 0.78 0.80 0.23 0.00 0.00 176.35 178.80 2cai n MET 114 N 1.21 -1.48 -4.00 1.70 1.56 -1.26 -5.03 117.12 109.83 2cai n MET 114 Ca -0.01 0.80 -0.12 0.00 -0.27 0.00 0.00 57.70 58.10 2cai n MET 114 Cb 0.46 -4.59 -0.13 0.00 2.15 0.00 0.00 33.22 31.12 2cai n MET 114 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2cai s LYS 115 N -4.89 0.27 0.22 2.12 -0.14 -1.26 -5.11 119.74 110.95 2cai s LYS 115 Ca 0.31 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 2cai s LYS 115 Cb -0.09 -0.13 -0.10 0.00 -1.68 0.00 0.00 37.83 35.83 2cai s LYS 115 CO 0.82 0.03 1.44 -1.25 -0.76 0.00 0.00 175.35 175.63 2cai s PRO 116 N -0.64 4.27 0.25 -1.68 0.04 -1.26 -4.69 135.00 131.29 2cai s PRO 116 Ca -0.05 2.27 0.13 0.00 0.04 0.00 0.00 61.00 63.39 2cai s PRO 116 Cb -0.05 -3.14 0.89 0.00 0.04 0.00 0.00 34.50 32.25 2cai s PRO 116 CO -0.00 -0.44 1.11 -1.91 0.04 0.00 0.00 177.00 175.80 2cai n GLU 117 N 2.80 -0.04 0.11 4.56 4.07 -1.26 0.07 120.64 130.94 2cai n GLU 117 Ca 0.08 0.98 -0.15 0.00 -0.06 0.00 0.00 57.16 58.02 2cai n GLU 117 Cb 0.40 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 29.98 2cai n GLU 117 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2cai h GLU 118 N 0.00 -0.64 0.00 5.31 4.39 -2.01 -1.22 114.58 120.41 2cai h GLU 118 Ca 0.57 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.27 2cai h GLU 118 Cb 1.48 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 2cai h GLU 118 CO -0.56 -0.42 -0.43 1.05 -1.16 0.00 0.00 179.01 177.49 2cai h GLU 119 N -0.66 0.00 -0.03 2.33 4.11 -0.73 -3.12 114.58 116.49 2cai h GLU 119 Ca 0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.46 2cai h GLU 119 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2cai h GLU 119 CO -0.26 0.20 -0.01 -0.22 0.07 0.00 0.00 179.01 178.78 2cai h LYS 120 N 0.00 -0.01 -0.15 1.06 3.64 -1.18 0.98 116.57 120.90 2cai h LYS 120 Ca -0.02 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2cai h LYS 120 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2cai h LYS 120 CO 0.03 -0.01 -0.05 1.96 -2.27 0.00 0.00 179.45 179.11 2cai h GLN 121 N -0.01 0.22 -0.06 1.90 1.08 -1.26 0.48 115.11 117.46 2cai h GLN 121 Ca 0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2cai h GLN 121 Cb 0.04 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2cai h GLN 121 CO -0.04 0.30 -0.01 0.87 -0.95 0.00 0.00 178.83 179.00 2cai h LYS 122 N 0.22 0.11 -0.46 1.46 1.57 -1.42 -1.41 116.57 116.64 2cai h LYS 122 Ca 0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2cai h LYS 122 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2cai h LYS 122 CO 0.01 0.41 0.16 0.82 -0.57 0.00 0.00 179.45 180.29 2cai h ILE 123 N -0.20 1.22 -0.38 1.86 2.04 -0.15 -0.84 117.51 121.05 2cai h ILE 123 Ca 0.02 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.26 2cai h ILE 123 Cb 0.37 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2cai h ILE 123 CO 0.00 0.25 -0.07 0.40 0.00 0.00 0.00 178.15 178.74 2cai h ILE 124 N 0.61 0.65 -0.61 -0.67 2.04 -0.10 -1.16 117.51 118.27 2cai h ILE 124 Ca 0.15 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 2cai h ILE 124 Cb 0.23 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2cai h ILE 124 CO -0.01 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.72 2cai h LYS 125 N 0.02 1.01 -0.01 2.37 3.64 -0.86 -1.26 116.57 121.48 2cai h LYS 125 Ca 0.18 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2cai h LYS 125 Cb 0.27 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2cai h LYS 125 CO -0.37 0.95 0.00 1.05 -2.27 0.00 0.00 179.45 178.81 2cai h GLU 126 N 0.94 0.02 -0.78 1.90 4.11 -0.74 -1.80 114.58 118.23 2cai h GLU 126 Ca 0.18 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 2cai h GLU 126 Cb 0.45 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2cai h GLU 126 CO 0.02 0.30 0.31 -0.84 0.07 0.00 0.00 179.01 178.86 2cai h ILE 127 N -0.25 1.26 0.00 -1.06 3.07 -1.19 1.00 117.51 120.33 2cai h ILE 127 Ca 0.00 -0.82 -0.06 0.00 1.55 0.00 0.00 64.86 65.53 2cai h ILE 127 Cb 0.28 0.33 -0.01 0.00 -0.27 0.00 0.00 36.82 37.16 2cai h ILE 127 CO 0.00 0.34 -0.29 -0.07 -1.05 0.00 0.00 178.15 177.08 2cai h LEU 128 N 1.14 0.00 -1.36 0.16 3.38 -1.25 -1.47 115.31 115.91 2cai h LEU 128 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2cai h LEU 128 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2cai h LEU 128 CO -0.02 0.29 -0.28 0.59 0.09 0.00 0.00 178.44 179.11 2cai n ASN 129 N -3.76 2.40 0.00 -0.43 4.13 -0.68 -4.43 115.26 112.49 2cai n ASN 129 Ca -0.01 -1.70 0.00 0.00 1.68 0.00 0.00 54.58 54.55 2cai n ASN 129 Cb 0.39 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 2cai n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cai n GLY 130 N 1.38 0.23 0.17 7.41 0.00 0.34 -4.97 105.19 109.75 2cai n GLY 130 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2cai n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cai h LYS 131 N 0.00 0.00 -0.07 1.61 1.57 -1.76 -3.38 116.57 114.55 2cai h LYS 131 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2cai h LYS 131 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2cai h LYS 131 CO 0.00 0.35 -0.22 0.28 -0.57 0.00 0.00 179.45 179.29 2cai h VAL 132 N 0.00 0.48 -0.81 0.50 2.07 -1.58 0.13 116.25 117.03 2cai h VAL 132 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2cai h VAL 132 Cb 1.24 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2cai h VAL 132 CO 0.05 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.47 2cai h PRO 133 N -0.31 0.83 -0.42 1.57 0.11 -1.77 0.69 132.00 132.69 2cai h PRO 133 Ca 0.08 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.18 2cai h PRO 133 Cb 0.42 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 2cai h PRO 133 CO -0.25 0.55 0.17 0.28 -0.21 0.00 0.00 178.00 178.54 2cai h VAL 134 N 0.85 0.91 -0.13 3.15 2.07 -1.52 0.18 116.25 121.77 2cai h VAL 134 Ca 0.37 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.67 2cai h VAL 134 Cb 0.25 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2cai h VAL 134 CO -0.20 0.06 -0.36 -0.07 0.02 0.00 0.00 177.57 177.02 2cai h LEU 135 N 0.35 0.27 -0.23 2.57 3.38 -0.01 -1.79 115.31 119.85 2cai h LEU 135 Ca 0.19 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 2cai h LEU 135 Cb 0.14 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2cai h LEU 135 CO -0.17 0.62 -0.79 -0.07 0.09 0.00 0.00 178.44 178.12 2cai h LEU 136 N 0.23 0.77 -0.69 1.67 3.38 -0.41 -2.36 115.31 117.89 2cai h LEU 136 Ca 0.03 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2cai h LEU 136 Cb 0.75 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2cai h LEU 136 CO 0.06 1.30 0.45 0.44 0.09 0.00 0.00 178.44 180.78 2cai h ASP 137 N 0.43 0.80 -0.18 -0.43 3.32 -0.37 -0.15 116.42 119.85 2cai h ASP 137 Ca -0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2cai h ASP 137 Cb 1.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2cai h ASP 137 CO 0.15 0.59 0.12 0.40 -1.72 0.00 0.00 179.24 178.78 2cai h ILE 138 N 0.94 1.05 -0.51 0.35 2.04 -1.31 -1.42 117.51 118.65 2cai h ILE 138 Ca 0.25 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2cai h ILE 138 Cb -0.09 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2cai h ILE 138 CO -0.05 0.05 0.33 0.40 0.00 0.00 0.00 178.15 178.88 2cai h ILE 139 N 0.23 1.14 -0.64 -0.67 2.04 -1.16 -1.82 117.51 116.64 2cai h ILE 139 Ca 0.06 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.76 2cai h ILE 139 Cb -0.02 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 2cai h ILE 139 CO -0.01 0.13 0.24 0.00 0.00 0.00 0.00 178.15 178.51 2cai h GLU 141 N 0.43 0.34 -0.93 0.00 4.39 -0.90 0.23 114.58 118.14 2cai h GLU 141 Ca 0.33 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 60.00 2cai h GLU 141 Cb 0.41 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2cai h GLU 141 CO -0.32 0.44 0.60 0.77 -1.16 0.00 0.00 179.01 179.34 2cai h SER 142 N 0.18 0.97 -0.65 1.42 0.02 -1.04 -0.63 113.55 113.81 2cai h SER 142 Ca 0.07 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2cai h SER 142 Cb 0.25 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2cai h SER 142 CO -0.00 0.64 0.18 -0.07 -1.14 0.00 0.00 176.83 176.44 2cai h LEU 143 N 1.12 0.97 -1.59 5.07 3.38 -0.03 -2.77 115.31 121.46 2cai h LEU 143 Ca 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2cai h LEU 143 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2cai h LEU 143 CO -0.15 0.94 0.16 0.50 0.09 0.00 0.00 178.44 179.98 2cai h LYS 144 N 0.96 0.43 0.00 1.13 3.64 0.19 -2.30 116.57 120.62 2cai h LYS 144 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2cai h LYS 144 Cb 0.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2cai h LYS 144 CO -0.00 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 2cai n ALA 145 N -2.49 2.37 -1.75 5.00 0.00 -0.31 -4.87 120.51 118.46 2cai n ALA 145 Ca 0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 2cai n ALA 145 Cb 0.11 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.14 2cai n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cai s SER 146 N -2.69 5.23 0.00 0.00 0.15 -0.87 -4.87 113.70 110.66 2cai s SER 146 Ca 0.23 2.77 0.29 0.00 0.70 0.00 0.00 55.95 59.95 2cai s SER 146 Cb 0.19 -2.64 1.31 0.00 -1.71 0.00 0.00 66.02 63.17 2cai s SER 146 CO 0.45 -1.60 1.94 0.35 1.20 0.00 0.00 173.24 175.58 2cai n THR 147 N -1.06 0.00 -3.24 6.45 -2.24 -1.26 -4.91 114.28 108.02 2cai n THR 147 Ca 0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2cai n THR 147 Cb 0.45 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2cai n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cai n GLY 148 N 1.38 4.88 0.22 3.38 0.00 -1.24 -4.86 105.19 108.94 2cai n GLY 148 Ca 0.11 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2cai n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cai h LYS 149 N 0.00 0.00 0.00 1.61 6.56 -1.80 -3.44 116.57 119.50 2cai h LYS 149 Ca 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 2cai h LYS 149 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2cai h LYS 149 CO 0.00 0.00 -0.01 1.28 -2.06 0.00 0.00 179.45 178.66 2cai n LEU 150 N -3.06 0.00 -0.10 2.94 4.32 0.17 -4.79 117.00 116.49 2cai n LEU 150 Ca 0.04 -0.25 -0.08 0.00 -0.02 0.00 0.00 56.01 55.69 2cai n LEU 150 Cb 0.51 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.28 2cai n LEU 150 CO 0.33 -0.43 1.00 0.00 -1.22 0.00 0.00 177.39 177.08 2cai h ALA 151 N 0.57 0.42 -3.47 -1.18 0.00 -1.90 -3.38 119.26 110.31 2cai h ALA 151 Ca -0.03 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.29 2cai h ALA 151 Cb 0.12 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.40 2cai h ALA 151 CO 0.04 -0.14 -0.77 0.08 0.00 0.00 0.00 179.25 178.46 2cai s VAL 152 N -6.17 1.15 0.00 0.00 1.01 -1.26 -4.57 120.40 110.57 2cai s VAL 152 Ca -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2cai s VAL 152 Cb 0.10 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2cai s VAL 152 CO 0.71 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2cai n GLY 153 N 4.80 1.10 0.00 4.51 0.00 -1.26 -4.07 105.19 110.28 2cai n GLY 153 Ca -0.10 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.35 2cai n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cai n ASP 154 N -1.23 0.70 -4.84 1.61 8.00 -1.26 -0.65 116.55 118.87 2cai n ASP 154 Ca 0.00 -0.44 -0.26 0.00 0.71 0.00 0.00 54.79 54.80 2cai n ASP 154 Cb 0.00 1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 42.53 2cai n ASP 154 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2cai s LYS 155 N -3.09 3.05 0.14 -1.24 1.02 -1.26 -4.65 119.74 113.72 2cai s LYS 155 Ca -0.00 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 2cai s LYS 155 Cb 0.13 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 2cai s LYS 155 CO 0.80 0.49 1.55 0.08 -0.92 0.00 0.00 175.35 177.34 2cai s VAL 156 N -1.78 2.83 0.32 3.17 1.01 -1.26 -4.67 120.40 120.02 2cai s VAL 156 Ca 0.32 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2cai s VAL 156 Cb -0.10 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 2cai s VAL 156 CO 0.25 0.03 0.06 0.42 0.00 0.00 0.00 175.10 175.87 2cai s THR 157 N 1.40 1.14 0.44 3.92 -4.23 -1.26 -4.53 115.64 112.52 2cai s THR 157 Ca 0.70 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.34 2cai s THR 157 Cb -0.42 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 70.84 2cai s THR 157 CO 0.31 0.00 1.99 0.25 -0.54 0.00 0.00 174.62 176.64 2cai h LEU 158 N 2.12 0.06 -0.71 4.79 5.85 -1.47 -1.21 115.31 124.75 2cai h LEU 158 Ca -0.40 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.43 2cai h LEU 158 Cb 1.25 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2cai h LEU 158 CO 0.69 0.21 0.29 0.00 -0.34 0.00 0.00 178.44 179.29 2cai h ALA 159 N 1.80 0.98 -0.79 1.25 0.00 -1.83 0.83 119.26 121.50 2cai h ALA 159 Ca 0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2cai h ALA 159 Cb 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2cai h ALA 159 CO 0.02 -0.17 0.50 -0.44 0.00 0.00 0.00 179.25 179.16 2cai h ASP 160 N 0.47 0.81 -0.08 0.00 3.32 -1.62 -2.25 116.42 117.08 2cai h ASP 160 Ca 0.38 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.33 2cai h ASP 160 Cb 0.51 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2cai h ASP 160 CO -0.35 0.55 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.32 2cai h LEU 161 N 0.95 0.43 -1.73 1.55 3.38 -1.18 -2.38 115.31 116.33 2cai h LEU 161 Ca 0.32 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2cai h LEU 161 Cb 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2cai h LEU 161 CO -0.13 0.99 -0.14 0.58 0.09 0.00 0.00 178.44 179.84 2cai h VAL 162 N -0.10 1.09 -0.54 1.22 2.07 -0.89 -1.86 116.25 117.24 2cai h VAL 162 Ca -0.02 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 2cai h VAL 162 Cb 0.97 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2cai h VAL 162 CO 0.07 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.60 2cai h LEU 163 N 0.00 1.05 0.13 2.57 4.07 -1.20 -0.39 115.31 121.54 2cai h LEU 163 Ca -0.00 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 2cai h LEU 163 Cb 0.24 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2cai h LEU 163 CO 0.02 1.16 -0.06 0.40 -1.08 0.00 0.00 178.44 178.88 2cai h ILE 164 N 0.92 0.91 -0.14 1.22 1.08 -0.97 -1.85 117.51 118.68 2cai h ILE 164 Ca 0.14 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 2cai h ILE 164 Cb 0.70 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 2cai h ILE 164 CO 0.05 0.03 -0.21 0.00 -0.69 0.00 0.00 178.15 177.34 2cai h ALA 165 N 0.64 -0.15 0.09 1.87 0.00 -1.07 -1.41 119.26 119.24 2cai h ALA 165 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cai h ALA 165 Cb 0.18 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2cai h ALA 165 CO 0.03 -0.66 -0.04 -0.24 0.00 0.00 0.00 179.25 178.34 2cai h VAL 166 N -0.25 1.11 -0.95 0.00 3.04 -1.06 -2.39 116.25 115.75 2cai h VAL 166 Ca 0.10 -0.77 0.06 0.00 -1.01 0.00 0.00 66.70 65.09 2cai h VAL 166 Cb 0.41 1.60 -0.06 0.00 -2.01 0.00 0.00 31.29 31.22 2cai h VAL 166 CO -0.29 0.19 0.61 0.40 -1.01 0.00 0.00 177.57 177.46 2cai h ILE 167 N -0.47 1.08 -0.39 3.17 1.08 -1.32 -0.51 117.51 120.15 2cai h ILE 167 Ca -0.01 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2cai h ILE 167 Cb 0.40 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 2cai h ILE 167 CO 0.02 0.20 0.17 0.44 -0.69 0.00 0.00 178.15 178.29 2cai h ASP 168 N 1.11 0.49 -0.55 1.72 3.45 -1.12 -1.31 116.42 120.21 2cai h ASP 168 Ca 0.41 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.71 2cai h ASP 168 Cb 0.16 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 2cai h ASP 168 CO -0.17 0.43 -0.11 0.45 -1.57 0.00 0.00 179.24 178.28 2cai h HIS 169 N 0.54 1.16 -0.46 4.55 3.86 -0.60 -1.87 115.15 122.35 2cai h HIS 169 Ca 0.14 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 2cai h HIS 169 Cb 0.09 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2cai h HIS 169 CO 0.00 1.07 0.22 0.28 0.86 0.00 0.00 177.93 180.37 2cai h VAL 170 N 0.93 1.18 0.00 2.45 2.07 -0.68 -2.63 116.25 119.57 2cai h VAL 170 Ca 0.14 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2cai h VAL 170 Cb 0.68 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2cai h VAL 170 CO 0.05 0.20 -0.27 0.71 0.02 0.00 0.00 177.57 178.28 2cai h THR 171 N 0.60 0.61 -0.65 2.57 1.35 -1.24 -1.50 112.91 114.65 2cai h THR 171 Ca 0.16 -1.31 0.07 0.00 -0.55 0.00 0.00 66.41 64.78 2cai h THR 171 Cb 0.11 1.88 -0.06 0.00 -1.73 0.00 0.00 68.15 68.35 2cai h THR 171 CO -0.02 0.26 0.33 0.44 -0.25 0.00 0.00 175.52 176.29 2cai h ASP 172 N 0.00 0.46 -0.38 5.36 3.45 -1.10 -1.33 116.42 122.88 2cai h ASP 172 Ca -0.00 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 2cai h ASP 172 Cb 0.86 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 2cai h ASP 172 CO 0.03 0.29 -0.08 -0.07 -1.57 0.00 0.00 179.24 177.84 2cai h LEU 173 N 0.60 0.73 -6.62 1.55 3.38 -1.01 -3.42 115.31 110.53 2cai h LEU 173 Ca 0.30 -0.36 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 2cai h LEU 173 Cb 0.26 -0.20 -0.33 0.00 0.09 0.00 0.00 40.66 40.47 2cai h LEU 173 CO -0.22 0.92 -0.59 -0.62 0.09 0.00 0.00 178.44 178.02 2cai s ASP 174 N -6.33 1.12 0.54 -0.43 -1.08 -0.64 -5.04 116.67 104.82 2cai s ASP 174 Ca -0.13 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 51.93 2cai s ASP 174 Cb 0.10 0.63 1.53 0.00 -1.46 0.00 0.00 42.92 43.71 2cai s ASP 174 CO 0.81 -0.34 2.13 0.11 0.52 0.00 0.00 175.17 178.40 2cai h LYS 175 N 8.26 0.00 -0.29 4.34 1.79 -1.51 -2.50 116.57 126.66 2cai h LYS 175 Ca -0.17 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 2cai h LYS 175 Cb 1.13 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 2cai h LYS 175 CO 0.29 0.08 -0.03 0.39 -1.08 0.00 0.00 179.45 179.11 2cai n GLU 176 N -3.79 2.28 0.10 3.15 4.71 -1.26 -4.70 120.64 121.13 2cai n GLU 176 Ca -0.02 -2.99 -0.01 0.00 -0.01 0.00 0.00 57.16 54.12 2cai n GLU 176 Cb 0.18 -1.81 0.25 0.00 -1.01 0.00 0.00 31.44 29.05 2cai n GLU 176 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2cai h PHE 177 N 1.28 0.27 -0.01 -0.32 3.57 -1.80 -3.03 116.94 116.90 2cai h PHE 177 Ca 0.11 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2cai h PHE 177 Cb 1.54 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.21 2cai h PHE 177 CO 0.73 0.58 -0.62 1.28 -2.23 0.00 0.00 178.31 178.04 2cai n LEU 178 N -4.06 1.22 -4.68 0.59 4.32 -1.26 -4.87 117.00 108.25 2cai n LEU 178 Ca -0.01 -0.44 -0.42 0.00 -0.02 0.00 0.00 56.01 55.11 2cai n LEU 178 Cb 0.45 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2cai n LEU 178 CO 0.41 0.26 1.52 0.41 -1.22 0.00 0.00 177.39 178.77 2cai n THR 179 N -0.91 0.49 -1.05 -5.08 -1.04 -1.15 -0.68 114.28 104.87 2cai n THR 179 Ca 0.07 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 2cai n THR 179 Cb 0.38 -2.20 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 2cai n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cai n GLY 180 N 4.34 0.42 3.37 3.41 0.00 -1.26 -4.98 105.19 110.50 2cai n GLY 180 Ca 0.19 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2cai n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cai s LYS 181 N -1.22 1.64 -1.34 1.61 1.02 0.15 -4.93 119.74 116.66 2cai s LYS 181 Ca 0.00 -1.94 -0.17 0.00 0.02 0.00 0.00 55.97 53.88 2cai s LYS 181 Cb 0.00 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 2cai s LYS 181 CO 0.00 -0.42 0.44 0.66 -0.92 0.00 0.00 175.35 175.11 2cai n TYR 182 N -0.64 -1.44 -0.17 3.18 4.02 -1.26 -4.83 117.16 116.02 2cai n TYR 182 Ca -0.01 0.38 0.13 0.00 -0.01 0.00 0.00 57.90 58.39 2cai n TYR 182 Cb 0.65 -3.00 0.46 0.00 -0.02 0.00 0.00 39.34 37.43 2cai n TYR 182 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2cai h PRO 183 N -2.17 0.50 -0.96 -0.72 0.13 -1.91 -1.04 132.00 125.82 2cai h PRO 183 Ca -0.68 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2cai h PRO 183 Cb 1.40 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2cai h PRO 183 CO 0.59 0.33 0.59 0.93 -0.23 0.00 0.00 178.00 180.21 2cai h GLU 184 N 0.52 1.30 -0.50 0.86 3.07 -1.91 0.11 114.58 118.01 2cai h GLU 184 Ca 0.36 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2cai h GLU 184 Cb 0.68 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2cai h GLU 184 CO -0.12 0.90 0.06 0.82 -1.40 0.00 0.00 179.01 179.26 2cai h ILE 185 N 1.32 1.25 -0.15 3.13 2.04 -1.55 0.11 117.51 123.66 2cai h ILE 185 Ca 0.35 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2cai h ILE 185 Cb -0.07 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2cai h ILE 185 CO -0.07 0.35 0.08 0.45 0.00 0.00 0.00 178.15 178.96 2cai h HIS 186 N 0.72 0.20 -0.48 1.37 3.86 -1.24 -2.86 115.15 116.72 2cai h HIS 186 Ca 0.15 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 2cai h HIS 186 Cb 0.43 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 2cai h HIS 186 CO 0.03 0.20 -0.06 -0.22 0.86 0.00 0.00 177.93 178.73 2cai h LYS 187 N 0.15 0.89 -0.33 2.45 1.63 -0.72 -2.58 116.57 118.05 2cai h LYS 187 Ca 0.05 -0.32 0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2cai h LYS 187 Cb 0.06 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 2cai h LYS 187 CO -0.01 0.96 -0.00 1.25 -3.45 0.00 0.00 179.45 178.20 2cai h HIS 188 N 0.74 -0.02 -0.31 1.91 2.76 -0.96 0.32 115.15 119.59 2cai h HIS 188 Ca 0.13 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2cai h HIS 188 Cb 0.60 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 2cai h HIS 188 CO 0.04 -0.06 0.16 0.00 -1.30 0.00 0.00 177.93 176.77 2cai h ARG 189 N 0.09 0.32 0.06 5.26 3.08 -1.39 0.50 114.38 122.30 2cai h ARG 189 Ca 0.16 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2cai h ARG 189 Cb 0.22 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 2cai h ARG 189 CO -0.27 0.21 -0.33 0.93 -1.07 0.00 0.00 179.97 179.44 2cai h GLU 190 N 0.33 -0.50 -0.87 0.04 5.08 -1.04 -2.18 114.58 115.44 2cai h GLU 190 Ca 0.13 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2cai h GLU 190 Cb 0.03 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2cai h GLU 190 CO -0.08 -0.34 0.57 -0.91 -1.00 0.00 0.00 179.01 177.25 2cai h ASN 191 N -0.52 0.87 -0.09 1.42 2.35 0.11 -1.51 115.58 118.21 2cai h ASN 191 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2cai h ASN 191 Cb 0.58 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2cai h ASN 191 CO -0.23 0.56 0.00 0.25 -1.65 0.00 0.00 177.43 176.36 2cai h LEU 192 N 0.99 0.15 -0.74 1.61 5.85 0.22 0.05 115.31 123.44 2cai h LEU 192 Ca 0.37 -0.31 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 2cai h LEU 192 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2cai h LEU 192 CO -0.13 0.42 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.74 2cai h LEU 193 N -0.13 0.16 -0.72 2.25 3.38 -1.21 -1.27 115.31 117.77 2cai h LEU 193 Ca 0.02 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2cai h LEU 193 Cb 0.35 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2cai h LEU 193 CO 0.00 0.71 0.11 0.00 0.09 0.00 0.00 178.44 179.36 2cai h ALA 194 N 1.29 0.94 0.00 1.53 0.00 -1.26 -3.09 119.26 118.68 2cai h ALA 194 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2cai h ALA 194 Cb 1.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2cai h ALA 194 CO 0.08 0.66 -0.34 0.77 0.00 0.00 0.00 179.25 180.43 2cai h SER 195 N 1.02 0.00 -3.24 0.00 0.02 -0.50 -3.41 113.55 107.45 2cai h SER 195 Ca 0.20 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.55 2cai h SER 195 Cb 0.43 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.57 2cai h SER 195 CO 0.01 0.34 -0.77 -0.55 -1.14 0.00 0.00 176.83 174.72 2cai s SER 196 N -6.39 3.43 0.33 3.07 0.15 -0.52 -4.98 113.70 108.80 2cai s SER 196 Ca 0.00 -2.57 0.12 0.00 0.70 0.00 0.00 55.95 54.20 2cai s SER 196 Cb 0.11 -0.88 0.95 0.00 -1.71 0.00 0.00 66.02 64.49 2cai s SER 196 CO 0.67 -0.27 1.72 -0.65 1.20 0.00 0.00 173.24 175.92 2cai h PRO 197 N 6.72 0.51 -0.68 5.44 0.11 -1.80 0.41 132.00 142.71 2cai h PRO 197 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2cai h PRO 197 Cb 0.93 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 2cai h PRO 197 CO 0.43 0.33 0.34 0.00 -0.21 0.00 0.00 178.00 178.90 2cai h ARG 198 N 0.52 0.96 0.08 1.05 3.08 -1.90 -0.36 114.38 117.81 2cai h ARG 198 Ca 0.65 -0.13 -0.28 0.00 0.07 0.00 0.00 59.98 60.30 2cai h ARG 198 Cb 1.34 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 31.23 2cai h ARG 198 CO -0.47 0.75 -1.16 1.25 -1.07 0.00 0.00 179.97 179.27 2cai h LEU 199 N 0.93 0.75 -0.83 3.04 5.85 -1.56 -1.91 115.31 121.59 2cai h LEU 199 Ca 0.23 -0.67 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2cai h LEU 199 Cb 0.09 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2cai h LEU 199 CO -0.03 1.49 0.42 0.00 -0.34 0.00 0.00 178.44 179.97 2cai h ALA 200 N 0.44 1.06 -0.02 1.25 0.00 -0.84 0.83 119.26 121.98 2cai h ALA 200 Ca -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2cai h ALA 200 Cb 1.83 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2cai h ALA 200 CO 0.21 0.61 -0.01 -0.22 0.00 0.00 0.00 179.25 179.84 2cai h LYS 201 N 1.16 0.04 0.12 0.00 3.64 -1.02 -1.75 116.57 118.77 2cai h LYS 201 Ca 0.29 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2cai h LYS 201 Cb 0.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2cai h LYS 201 CO -0.04 0.49 -0.21 -0.92 -2.27 0.00 0.00 179.45 176.50 2cai h TYR 202 N -0.40 -0.55 0.00 1.91 5.03 -1.31 -0.81 116.97 120.83 2cai h TYR 202 Ca 0.00 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2cai h TYR 202 Cb 0.48 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 2cai h TYR 202 CO 0.08 -0.30 -0.39 -0.07 -1.32 0.00 0.00 178.16 176.16 2cai h LEU 203 N -0.40 0.00 -2.56 2.82 3.38 -0.86 -2.17 115.31 115.51 2cai h LEU 203 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cai h LEU 203 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2cai h LEU 203 CO -0.11 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 2cai n SER 204 N -3.77 3.81 -2.40 -0.43 3.41 -0.66 -4.97 113.62 108.60 2cai n SER 204 Ca -0.01 -2.15 -0.20 0.00 -0.26 0.00 0.00 58.87 56.25 2cai n SER 204 Cb 0.46 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2cai n SER 204 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2cai n ASP 205 N 1.27 -5.81 -4.81 4.04 2.03 -0.82 -4.97 116.55 107.49 2cai n ASP 205 Ca 0.22 -0.06 -0.33 0.00 0.52 0.00 0.00 54.79 55.15 2cai n ASP 205 Cb 0.65 -4.80 0.00 0.00 -0.72 0.00 0.00 41.12 36.26 2cai n ASP 205 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2cai s ARG 206 N -5.11 3.41 4.62 -0.67 3.52 -0.36 -5.02 118.95 119.33 2cai s ARG 206 Ca 0.05 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2cai s ARG 206 Cb -0.02 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2cai s ARG 206 CO 0.06 -0.74 0.00 0.00 -0.81 0.00 0.00 175.30 173.81 2cai n ALA 207 N -1.90 0.00 -1.45 6.12 0.00 -1.26 -4.87 120.51 117.15 2cai n ALA 207 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 2cai n ALA 207 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 2cai n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cai n ALA 208 N 6.27 -2.71 -2.90 0.00 0.00 -1.26 -5.06 120.51 114.84 2cai n ALA 208 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 2cai n ALA 208 Cb 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 2cai n ALA 208 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cai n THR 209 N 0.58 -8.07 -0.11 0.00 -2.24 -1.26 -4.87 114.28 98.30 2cai n THR 209 Ca -0.01 1.34 -0.04 0.00 -2.27 0.00 0.00 64.05 63.07 2cai n THR 209 Cb 0.01 -5.35 -0.01 0.00 -2.10 0.00 0.00 70.33 62.88 2cai n THR 209 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2cai n PRO 210 N 1.00 0.00 0.00 -0.78 -0.02 -1.26 -5.29 135.00 128.65 2cai n PRO 210 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2cai n PRO 210 Cb 0.21 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 2cai n PRO 210 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82