#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cai s ASP 4 N 0.00 7.08 -0.28 1.61 -0.00 -1.26 -4.71 116.67 119.11 2cai s ASP 4 Ca 0.00 1.39 -0.06 0.00 -0.00 0.00 0.00 52.55 53.88 2cai s ASP 4 Cb 0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 42.92 40.52 2cai s ASP 4 CO 0.00 0.10 0.06 -1.00 -0.00 0.00 0.00 175.17 174.33 2cai s HIS 5 N -1.40 3.12 -0.20 4.23 3.76 0.12 -4.95 115.29 119.97 2cai s HIS 5 Ca 0.39 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 54.30 2cai s HIS 5 Cb -0.18 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 2cai s HIS 5 CO 0.21 -0.56 0.02 0.42 -0.85 0.00 0.00 174.74 173.99 2cai s ILE 6 N 1.50 4.17 -0.18 0.60 1.01 -1.26 -1.15 121.20 125.89 2cai s ILE 6 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2cai s ILE 6 Cb -0.17 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 2cai s ILE 6 CO 0.02 0.42 -0.12 -0.54 0.00 0.00 0.00 174.94 174.71 2cai s LYS 7 N 0.98 3.25 -0.22 2.79 -0.14 -0.22 -0.03 119.74 126.15 2cai s LYS 7 Ca 0.02 -0.71 -0.07 0.00 -1.36 0.00 0.00 55.97 53.85 2cai s LYS 7 Cb -0.14 -2.74 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 2cai s LYS 7 CO 0.02 -0.07 0.07 0.08 -0.76 0.00 0.00 175.35 174.69 2cai s VAL 8 N 1.07 4.51 -0.16 3.17 1.01 -0.27 -1.11 120.40 128.62 2cai s VAL 8 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2cai s VAL 8 Cb -0.15 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2cai s VAL 8 CO -0.03 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 2cai s ILE 9 N 1.10 1.73 0.17 2.22 1.01 -0.27 0.31 121.20 127.46 2cai s ILE 9 Ca 0.04 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2cai s ILE 9 Cb -0.14 -1.60 0.05 0.00 0.01 0.00 0.00 42.46 40.78 2cai s ILE 9 CO 0.03 0.49 0.56 -0.72 0.00 0.00 0.00 174.94 175.30 2cai s TYR 10 N 1.39 -0.38 -0.12 3.97 1.13 -0.81 -1.40 117.35 121.13 2cai s TYR 10 Ca 0.04 0.11 -0.19 0.00 -1.41 0.00 0.00 57.07 55.62 2cai s TYR 10 Cb -0.13 0.49 -0.26 0.00 -1.10 0.00 0.00 41.96 40.95 2cai s TYR 10 CO -0.11 -0.86 0.57 0.74 -2.51 0.00 0.00 175.55 173.38 2cai h PHE 11 N 2.10 0.33 -3.28 -3.49 -1.00 -1.87 0.30 116.94 110.03 2cai h PHE 11 Ca -0.32 -0.24 -0.51 0.00 2.81 0.00 0.00 57.97 59.71 2cai h PHE 11 Cb 1.29 -0.01 -0.36 0.00 3.61 0.00 0.00 35.95 40.48 2cai h PHE 11 CO 0.28 1.44 -0.80 1.21 -1.61 0.00 0.00 178.31 178.84 2cai s ASN 12 N -6.89 1.92 0.59 2.17 2.47 -1.26 -4.44 114.94 109.50 2cai s ASN 12 Ca -0.20 -0.28 0.30 0.00 0.42 0.00 0.00 52.86 53.10 2cai s ASN 12 Cb 0.03 -0.79 1.83 0.00 -1.45 0.00 0.00 41.25 40.88 2cai s ASN 12 CO 0.74 -0.07 2.25 1.23 -3.72 0.00 0.00 177.10 177.53 2cai h GLY 13 N 7.72 0.00 -2.71 1.21 0.00 -1.99 -0.07 103.07 107.23 2cai h GLY 13 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2cai h GLY 13 CO 0.43 0.00 0.07 0.54 0.00 0.00 0.00 176.54 177.58 2cai n ARG 14 N -3.82 3.52 0.00 4.80 1.74 -1.26 -4.11 116.66 117.53 2cai n ARG 14 Ca -0.03 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 2cai n ARG 14 Cb 0.10 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 -0.21 1.59 0.19 -0.13 0.00 -0.04 -4.86 105.19 101.73 2cai n GLY 15 Ca 0.30 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.92 -1.90 114.38 115.25 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 0.34 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2cai n ALA 17 N -2.47 2.44 -0.34 0.04 0.00 -1.26 -4.22 120.51 114.70 2cai n ALA 17 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2cai n ALA 17 Cb 0.38 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.55 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 1.20 0.00 0.00 4.81 -1.49 -1.89 114.58 117.21 2cai h GLU 18 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2cai h GLU 18 Cb 0.13 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2cai h GLU 18 CO 0.00 0.79 -0.15 0.66 -0.73 0.00 0.00 179.01 179.59 2cai h SER 19 N 1.23 0.00 0.23 1.04 4.64 -1.83 -0.11 113.55 118.75 2cai h SER 19 Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2cai h SER 19 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2cai h SER 19 CO -0.11 0.15 -0.11 0.40 -0.87 0.00 0.00 176.83 176.29 2cai h ILE 20 N 0.00 0.81 -0.30 0.95 2.04 -1.64 -1.87 117.51 117.50 2cai h ILE 20 Ca -0.00 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.68 2cai h ILE 20 Cb 1.05 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2cai h ILE 20 CO 0.02 0.05 -0.03 -0.07 0.00 0.00 0.00 178.15 178.12 2cai h LEU 21 N -0.43 -0.18 -1.09 1.44 3.38 -1.05 -2.22 115.31 115.16 2cai h LEU 21 Ca -0.03 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2cai h LEU 21 Cb 0.32 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2cai h LEU 21 CO 0.05 -0.06 -0.26 0.24 0.09 0.00 0.00 178.44 178.51 2cai h MET 22 N 0.05 0.33 -0.25 1.13 2.86 -1.06 -2.00 114.93 115.99 2cai h MET 22 Ca 0.14 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2cai h MET 22 Cb 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2cai h MET 22 CO -0.27 0.57 0.05 1.15 1.06 0.00 0.00 176.91 179.47 2cai h THR 23 N 0.30 1.22 -0.69 2.22 2.02 -0.90 0.75 112.91 117.83 2cai h THR 23 Ca 0.05 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 2cai h THR 23 Cb 0.61 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2cai h THR 23 CO 0.04 0.23 0.23 -0.07 0.37 0.00 0.00 175.52 176.32 2cai h LEU 24 N 0.23 1.00 0.42 2.58 3.38 -1.22 -0.79 115.31 120.91 2cai h LEU 24 Ca 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2cai h LEU 24 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2cai h LEU 24 CO 0.00 0.93 -0.20 0.58 0.09 0.00 0.00 178.44 179.84 2cai h VAL 25 N 1.01 0.58 -0.94 1.22 2.07 -1.28 0.95 116.25 119.86 2cai h VAL 25 Ca 0.22 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.73 2cai h VAL 25 Cb 0.28 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2cai h VAL 25 CO -0.01 0.03 0.60 0.00 0.02 0.00 0.00 177.57 178.21 2cai h ALA 26 N -0.13 1.82 0.00 1.67 0.00 -0.72 -1.64 119.26 120.26 2cai h ALA 26 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cai h ALA 26 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2cai h ALA 26 CO 0.10 -0.11 -0.26 0.00 0.00 0.00 0.00 179.25 178.98 2cai n ALA 27 N -2.41 2.90 -2.80 0.00 0.00 -0.31 -4.94 120.51 112.95 2cai n ALA 27 Ca 0.20 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2cai n ALA 27 Cb 0.53 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 1.48 0.37 3.38 0.00 0.00 -0.37 -5.02 105.19 105.03 2cai n GLY 28 Ca 0.06 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.12 3.36 0.49 1.61 1.01 0.19 -5.04 120.40 118.90 2cai s VAL 29 Ca 0.16 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 2cai s VAL 29 Cb -0.07 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2cai s VAL 29 CO 0.26 0.49 1.21 0.20 0.00 0.00 0.00 175.10 177.25 2cai s ASN 30 N 0.70 5.89 0.05 3.32 0.01 -1.26 -4.47 114.94 119.18 2cai s ASN 30 Ca -0.04 2.40 -0.27 0.00 -0.71 0.00 0.00 52.86 54.24 2cai s ASN 30 Cb -0.15 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 38.99 2cai s ASN 30 CO 0.02 -1.12 0.84 -0.72 -1.51 0.00 0.00 177.10 174.62 2cai s TYR 31 N -1.51 -0.35 -0.16 2.20 1.13 -1.26 -4.47 117.35 112.92 2cai s TYR 31 Ca 0.67 0.18 -0.02 0.00 -1.41 0.00 0.00 57.07 56.49 2cai s TYR 31 Cb -0.31 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.09 2cai s TYR 31 CO 0.37 -0.64 -0.08 -2.00 -2.51 0.00 0.00 175.55 170.69 2cai s GLU 32 N -3.26 3.49 0.26 -3.49 2.12 0.95 -5.00 118.70 113.76 2cai s GLU 32 Ca 0.05 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 2cai s GLU 32 Cb -0.01 -2.81 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 2cai s GLU 32 CO -0.08 0.14 1.13 -0.51 -0.54 0.00 0.00 175.26 175.39 2cai s ASP 33 N 0.60 7.20 -0.43 -1.70 1.11 -1.26 -1.11 116.67 121.08 2cai s ASP 33 Ca -0.05 2.27 0.07 0.00 0.18 0.00 0.00 52.55 55.02 2cai s ASP 33 Cb -0.15 -2.62 0.23 0.00 1.07 0.00 0.00 42.92 41.45 2cai s ASP 33 CO 0.03 -0.22 0.50 1.21 1.18 0.00 0.00 175.17 177.87 2cai n GLU 34 N 1.52 0.81 -2.56 8.23 4.07 0.15 -4.88 120.64 127.98 2cai n GLU 34 Ca 0.00 -3.40 -0.42 0.00 -0.06 0.00 0.00 57.16 53.28 2cai n GLU 34 Cb 0.45 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.33 2cai n GLU 34 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2cai s ARG 35 N -1.02 4.38 -0.24 5.31 3.52 -1.26 -1.92 118.95 127.73 2cai s ARG 35 Ca 0.35 1.55 -0.07 0.00 -0.13 0.00 0.00 55.73 57.43 2cai s ARG 35 Cb 0.13 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2cai s ARG 35 CO -0.12 -0.39 0.06 0.42 -0.81 0.00 0.00 175.30 174.46 2cai s ILE 36 N 2.10 4.25 0.74 4.11 -1.09 0.10 -4.94 121.20 126.47 2cai s ILE 36 Ca 0.53 -0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.64 2cai s ILE 36 Cb -0.22 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 2cai s ILE 36 CO 0.20 0.36 1.08 -0.94 -1.23 0.00 0.00 174.94 174.41 2cai s SER 37 N 1.45 4.94 0.31 3.58 1.04 -1.26 -4.39 113.70 119.37 2cai s SER 37 Ca 0.05 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.25 2cai s SER 37 Cb -0.15 -2.48 0.80 0.00 0.10 0.00 0.00 66.02 64.29 2cai s SER 37 CO 0.03 -1.74 1.75 0.15 0.98 0.00 0.00 173.24 174.41 2cai h PHE 38 N -0.92 1.02 -0.03 5.02 3.57 -1.99 -2.20 116.94 121.42 2cai h PHE 38 Ca -0.44 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 60.87 2cai h PHE 38 Cb 1.22 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 39.67 2cai h PHE 38 CO 0.59 0.14 -0.91 -0.56 -2.23 0.00 0.00 178.31 175.34 2cai h GLN 39 N 0.66 0.50 -0.00 1.11 -0.00 -2.04 -3.29 115.11 112.05 2cai h GLN 39 Ca 0.61 -0.50 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2cai h GLN 39 Cb 1.06 0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 2cai h GLN 39 CO -0.43 1.14 -0.16 -0.25 -0.00 0.00 0.00 178.83 179.13 2cai n ASP 40 N -3.80 0.45 -0.06 0.06 10.43 -0.97 -4.28 116.55 118.37 2cai n ASP 40 Ca -0.07 -0.40 -0.11 0.00 2.57 0.00 0.00 54.79 56.77 2cai n ASP 40 Cb 0.81 -0.07 -0.05 0.00 1.84 0.00 0.00 41.12 43.65 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 0.45 0.35 -0.44 1.24 -0.00 -1.48 -2.30 115.95 113.77 2cai h TRP 41 Ca 0.00 -0.05 0.07 0.00 -0.00 0.00 0.00 58.89 58.91 2cai h TRP 41 Cb 0.41 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 2cai h TRP 41 CO 0.00 0.48 0.30 -1.00 -0.00 0.00 0.00 178.44 178.23 2cai h PRO 42 N 0.11 0.28 0.00 2.65 0.13 -1.80 0.36 132.00 133.73 2cai h PRO 42 Ca 0.06 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 64.95 2cai h PRO 42 Cb 0.33 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2cai h PRO 42 CO 0.00 0.18 -1.17 -0.22 -0.23 0.00 0.00 178.00 176.56 2cai h LYS 43 N 0.28 0.00 0.11 0.86 3.64 -1.83 -3.37 116.57 116.26 2cai h LYS 43 Ca 0.20 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.31 2cai h LYS 43 Cb 0.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2cai h LYS 43 CO -0.04 0.80 -1.25 0.82 -2.27 0.00 0.00 179.45 177.51 2cai h ILE 44 N 0.00 1.49 -0.59 2.00 1.08 -0.60 -3.39 117.51 117.50 2cai h ILE 44 Ca -0.09 -3.09 0.10 0.00 -0.39 0.00 0.00 64.86 61.40 2cai h ILE 44 Cb 1.80 2.91 -0.08 0.00 -3.07 0.00 0.00 36.82 38.38 2cai h ILE 44 CO 0.11 0.89 0.16 0.50 -0.69 0.00 0.00 178.15 179.13 2cai h LYS 45 N 0.06 0.30 -0.05 2.37 3.64 -0.50 -1.49 116.57 120.91 2cai h LYS 45 Ca -0.13 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2cai h LYS 45 Cb 1.95 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2cai h LYS 45 CO 0.19 0.20 0.44 -1.35 -2.27 0.00 0.00 179.45 176.65 2cai h PRO 46 N 0.31 0.00 -0.01 1.90 0.11 -1.78 -2.18 132.00 130.35 2cai h PRO 46 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2cai h PRO 46 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2cai h PRO 46 CO -0.36 0.00 -0.36 0.25 -0.21 0.00 0.00 178.00 177.33 2cai n THR 47 N -2.92 0.00 -3.39 -1.15 -2.24 -0.56 -4.46 114.28 99.56 2cai n THR 47 Ca -0.01 -0.32 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 2cai n THR 47 Cb 0.49 1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 69.82 2cai n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cai s ILE 48 N -1.96 -0.35 -2.00 2.28 -1.09 -0.82 -4.03 121.20 113.22 2cai s ILE 48 Ca 0.14 -0.74 0.09 0.00 -2.23 0.00 0.00 60.65 57.91 2cai s ILE 48 Cb 0.13 -0.87 0.25 0.00 -1.58 0.00 0.00 42.46 40.39 2cai s ILE 48 CO 0.43 -0.53 1.19 -0.81 -1.23 0.00 0.00 174.94 173.98 2cai n PRO 49 N 4.84 0.83 -3.90 2.79 -0.04 -1.26 -2.77 135.00 135.49 2cai n PRO 49 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2cai n PRO 49 Cb 0.45 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2cai n PRO 49 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2cai s GLY 50 N -1.44 2.35 0.02 0.55 0.00 -1.26 -5.06 107.32 102.49 2cai s GLY 50 Ca 0.13 -3.20 0.00 0.00 0.00 0.00 0.00 44.72 41.65 2cai s GLY 50 CO 0.10 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.92 2cai n GLY 51 N 3.10 -0.01 3.29 0.20 0.00 -1.11 -4.47 105.19 106.19 2cai n GLY 51 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2cai n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cai s ARG 52 N -2.00 0.96 0.34 1.61 1.70 -1.19 -5.02 118.95 115.35 2cai s ARG 52 Ca 0.00 -0.64 0.09 0.00 -0.47 0.00 0.00 55.73 54.70 2cai s ARG 52 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2cai s ARG 52 CO 0.00 -0.34 0.08 -0.51 -1.08 0.00 0.00 175.30 173.44 2cai s LEU 53 N -2.52 3.12 0.68 -1.89 1.43 -1.26 -4.10 118.68 114.14 2cai s LEU 53 Ca 0.00 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 2cai s LEU 53 Cb 0.01 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2cai s LEU 53 CO -0.08 -0.27 1.15 -2.84 0.23 0.00 0.00 176.35 174.53 2cai s PRO 54 N -3.78 2.59 -0.01 1.29 0.02 -1.26 -5.02 135.00 128.82 2cai s PRO 54 Ca 0.36 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.89 2cai s PRO 54 Cb -0.01 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 2cai s PRO 54 CO 0.21 -1.45 0.08 0.00 -0.33 0.00 0.00 177.00 175.52 2cai s ALA 55 N -2.16 -0.19 -0.09 -1.55 0.00 -0.50 -4.39 121.76 112.88 2cai s ALA 55 Ca 0.70 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2cai s ALA 55 Cb -0.24 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2cai s ALA 55 CO 0.42 -0.14 -0.24 0.08 0.00 0.00 0.00 175.76 175.88 2cai s VAL 56 N -0.86 2.04 -0.25 0.00 1.01 0.11 -1.12 120.40 121.32 2cai s VAL 56 Ca -0.09 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 2cai s VAL 56 Cb -0.06 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 2cai s VAL 56 CO 0.00 0.56 0.02 -0.75 0.00 0.00 0.00 175.10 174.93 2cai s LYS 57 N 0.29 3.30 -0.22 2.72 2.20 -0.27 -0.79 119.74 126.98 2cai s LYS 57 Ca -0.17 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2cai s LYS 57 Cb -0.18 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2cai s LYS 57 CO 0.08 -0.29 -0.08 0.42 -0.36 0.00 0.00 175.35 175.12 2cai s ILE 58 N 1.50 2.90 -0.24 5.43 1.01 0.64 -1.05 121.20 131.40 2cai s ILE 58 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 2cai s ILE 58 Cb -0.16 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2cai s ILE 58 CO 0.00 0.35 0.05 -0.89 0.00 0.00 0.00 174.94 174.45 2cai s THR 59 N 1.38 4.17 0.00 2.92 2.01 -0.30 0.63 115.64 126.45 2cai s THR 59 Ca 0.03 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.81 2cai s THR 59 Cb -0.15 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2cai s THR 59 CO -0.06 0.37 0.00 -0.90 -0.69 0.00 0.00 174.62 173.34 2cai n ASP 60 N 4.74 0.00 0.00 3.53 3.85 -1.26 0.13 116.55 127.55 2cai n ASP 60 Ca -0.17 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.91 2cai n ASP 60 Cb 0.51 0.20 0.00 0.00 -1.35 0.00 0.00 41.12 40.49 2cai n ASP 60 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2cai n ASN 61 N -1.72 0.00 -4.92 -1.12 4.13 -1.26 -4.61 115.26 105.76 2cai n ASN 61 Ca 0.00 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.98 2cai n ASN 61 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2cai n ASN 61 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2cai s HIS 62 N -0.62 3.48 0.00 3.10 -3.43 -1.26 -5.09 115.29 111.48 2cai s HIS 62 Ca 0.00 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2cai s HIS 62 Cb 0.00 -1.91 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 2cai s HIS 62 CO 0.00 0.37 0.00 0.41 -2.00 0.00 0.00 174.74 173.52 2cai n GLY 63 N -0.55 -1.45 0.00 -1.38 0.00 -1.26 -5.06 105.19 95.49 2cai n GLY 63 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2cai n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cai n HIS 64 N -0.27 0.00 -2.43 1.61 8.25 -1.26 -5.13 115.22 115.99 2cai n HIS 64 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2cai n HIS 64 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2cai n HIS 64 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2cai s VAL 65 N 1.08 3.50 -0.11 1.59 -7.23 -1.26 -4.08 120.40 113.88 2cai s VAL 65 Ca 0.00 1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 61.23 2cai s VAL 65 Cb 0.00 -3.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 2cai s VAL 65 CO 0.00 -0.06 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.11 2cai s LYS 66 N -2.78 3.21 -0.14 4.82 1.02 0.21 -4.97 119.74 121.10 2cai s LYS 66 Ca 0.63 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 56.00 2cai s LYS 66 Cb -0.23 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2cai s LYS 66 CO 0.28 0.41 -0.00 -1.58 -0.92 0.00 0.00 175.35 173.53 2cai s TRP 67 N -0.12 3.11 -0.00 3.18 0.52 -1.26 -0.26 118.94 124.11 2cai s TRP 67 Ca 0.01 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.10 2cai s TRP 67 Cb -0.13 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2cai s TRP 67 CO 0.03 0.16 -0.12 -1.64 0.02 0.00 0.00 176.95 175.40 2cai s MET 68 N -0.02 0.97 0.39 4.98 -1.94 0.03 -4.99 119.30 118.73 2cai s MET 68 Ca 0.03 -0.46 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 2cai s MET 68 Cb -0.13 -0.94 -0.02 0.00 2.01 0.00 0.00 34.83 35.76 2cai s MET 68 CO 0.02 0.26 0.15 1.33 -0.01 0.00 0.00 175.02 176.76 2cai n VAL 69 N 2.69 0.00 -2.17 -6.03 0.24 -1.26 -0.72 118.33 111.09 2cai n VAL 69 Ca -0.14 -2.29 -0.01 0.00 -2.04 0.00 0.00 64.34 59.86 2cai n VAL 69 Cb 0.56 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2cai n VAL 69 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2cai n GLU 70 N -0.87 -1.81 -0.27 7.34 4.07 -1.26 -4.35 120.64 123.49 2cai n GLU 70 Ca -0.05 1.69 0.04 0.00 -0.06 0.00 0.00 57.16 58.78 2cai n GLU 70 Cb 0.59 -3.43 0.13 0.00 -0.06 0.00 0.00 31.44 28.67 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 1.56 -0.56 1.76 4.31 0.02 -1.89 0.11 113.55 118.86 2cai h SER 71 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2cai h SER 71 Cb 0.08 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2cai h SER 71 CO 0.06 -0.24 0.00 -0.07 -1.14 0.00 0.00 176.83 175.45 2cai h LEU 72 N 0.04 0.00 -0.02 5.07 3.38 -1.91 0.53 115.31 122.39 2cai h LEU 72 Ca 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2cai h LEU 72 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2cai h LEU 72 CO -0.76 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 177.71 2cai h ALA 73 N 2.15 0.04 -0.46 1.53 0.00 -1.14 -1.82 119.26 119.56 2cai h ALA 73 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2cai h ALA 73 Cb 0.88 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2cai h ALA 73 CO 0.00 -0.11 0.23 0.82 0.00 0.00 0.00 179.25 180.19 2cai h ILE 74 N -0.50 0.97 -0.60 0.00 2.04 -0.90 -0.80 117.51 117.72 2cai h ILE 74 Ca -0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2cai h ILE 74 Cb 0.68 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2cai h ILE 74 CO 0.01 0.08 0.32 0.00 0.00 0.00 0.00 178.15 178.57 2cai h ALA 75 N 1.24 0.78 -0.62 1.87 0.00 -0.95 -0.45 119.26 121.12 2cai h ALA 75 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2cai h ALA 75 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2cai h ALA 75 CO -0.14 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.44 2cai h ARG 76 N 0.82 1.08 -0.09 0.00 3.08 -0.99 0.88 114.38 119.16 2cai h ARG 76 Ca 0.21 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.96 2cai h ARG 76 Cb 0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2cai h ARG 76 CO -0.03 1.04 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.92 2cai h TYR 77 N 0.99 -0.15 -0.60 3.04 5.03 -0.77 0.24 116.97 124.75 2cai h TYR 77 Ca 0.18 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.43 2cai h TYR 77 Cb 0.54 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 2cai h TYR 77 CO 0.04 -0.10 0.10 0.52 -1.32 0.00 0.00 178.16 177.40 2cai h MET 78 N -0.07 0.96 -0.34 1.82 2.86 -0.83 -0.57 114.93 118.77 2cai h MET 78 Ca 0.06 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 2cai h MET 78 Cb 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2cai h MET 78 CO -0.13 0.89 -0.14 0.00 1.06 0.00 0.00 176.91 178.58 2cai h ALA 79 N 1.20 0.47 -0.09 6.32 0.00 -0.69 -2.63 119.26 123.84 2cai h ALA 79 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2cai h ALA 79 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cai h ALA 79 CO 0.01 0.37 0.05 -0.22 0.00 0.00 0.00 179.25 179.46 2cai h LYS 80 N 0.47 0.12 -0.30 0.00 1.63 -0.65 0.38 116.57 118.22 2cai h LYS 80 Ca 0.08 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2cai h LYS 80 Cb 0.67 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2cai h LYS 80 CO 0.05 0.17 0.25 -0.22 -3.45 0.00 0.00 179.45 176.25 2cai h LYS 81 N 0.04 0.00 -0.18 1.90 3.64 -1.07 -2.02 116.57 118.88 2cai h LYS 81 Ca 0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2cai h LYS 81 Cb 0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2cai h LYS 81 CO -0.00 0.00 -0.19 0.72 -2.27 0.00 0.00 179.45 177.70 2cai n HIS 82 N -4.12 0.58 -3.02 1.91 8.25 -0.74 -4.97 115.22 113.11 2cai n HIS 82 Ca 0.04 -1.40 -0.18 0.00 -0.26 0.00 0.00 57.72 55.92 2cai n HIS 82 Cb 0.41 -0.35 0.04 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.81 -1.26 4.41 8.25 -0.38 -4.92 115.22 118.42 2cai n HIS 83 Ca 0.25 0.54 0.07 0.00 -0.26 0.00 0.00 57.72 58.32 2cai n HIS 83 Cb 0.86 -3.96 0.19 0.00 1.12 0.00 0.00 29.99 28.19 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 -3.61 1.70 -0.17 -0.41 2.81 0.12 -4.53 117.12 113.02 2cai n MET 84 Ca -0.06 -2.91 0.07 0.00 -1.81 0.00 0.00 57.70 52.99 2cai n MET 84 Cb 0.58 -1.63 0.15 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 -1.16 2.30 0.00 0.03 2.81 -1.25 -0.72 117.12 119.12 2cai n MET 85 Ca 0.20 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 2cai n MET 85 Cb 0.75 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 -0.72 2.75 0.08 3.03 0.00 -1.26 -3.90 105.19 105.16 2cai n GLY 86 Ca 0.14 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 0.81 -1.32 3.39 -0.02 0.00 -1.26 -4.79 105.19 102.00 2cai n GLY 87 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.39 0.72 0.23 2.61 -4.23 -1.26 -5.02 115.64 105.30 2cai s THR 88 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2cai s THR 88 Cb 0.11 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 2cai s THR 88 CO 0.82 0.00 1.59 -0.33 -0.54 0.00 0.00 174.62 176.16 2cai h GLU 89 N 2.18 0.46 -0.41 3.99 5.08 -1.96 -0.19 114.58 123.74 2cai h GLU 89 Ca -0.38 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 57.80 2cai h GLU 89 Cb 1.25 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2cai h GLU 89 CO 0.61 0.83 0.02 1.49 -1.00 0.00 0.00 179.01 180.97 2cai h GLU 90 N 0.37 0.13 -0.29 2.33 4.57 -1.99 -0.84 114.58 118.86 2cai h GLU 90 Ca 0.02 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2cai h GLU 90 Cb 0.96 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2cai h GLU 90 CO 0.08 0.09 -0.32 0.93 -1.18 0.00 0.00 179.01 178.61 2cai h GLU 91 N 0.13 0.61 -0.70 1.92 5.08 -1.84 -2.57 114.58 117.22 2cai h GLU 91 Ca 0.20 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2cai h GLU 91 Cb 0.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2cai h GLU 91 CO -0.31 0.86 0.45 -0.92 -1.00 0.00 0.00 179.01 178.09 2cai h TYR 92 N 0.52 0.86 -0.42 4.33 3.20 -0.65 0.27 116.97 125.09 2cai h TYR 92 Ca 0.06 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2cai h TYR 92 Cb 0.81 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2cai h TYR 92 CO 0.03 0.53 0.16 -0.92 -1.64 0.00 0.00 178.16 176.32 2cai h TYR 93 N 0.92 0.28 -0.03 -3.82 5.03 -0.87 -0.93 116.97 117.55 2cai h TYR 93 Ca 0.26 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.46 2cai h TYR 93 Cb -0.07 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 2cai h TYR 93 CO -0.03 0.11 -0.59 -0.91 -1.32 0.00 0.00 178.16 175.42 2cai h ASN 94 N 0.33 0.11 -0.07 -2.11 2.35 -0.94 0.24 115.58 115.48 2cai h ASN 94 Ca 0.19 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2cai h ASN 94 Cb 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2cai h ASN 94 CO -0.19 0.68 0.01 0.58 -1.65 0.00 0.00 177.43 176.86 2cai h VAL 95 N 0.07 0.97 -0.49 2.81 2.07 -0.24 -2.53 116.25 118.91 2cai h VAL 95 Ca -0.01 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 2cai h VAL 95 Cb 1.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2cai h VAL 95 CO 0.08 0.01 -0.10 -0.33 0.02 0.00 0.00 177.57 177.25 2cai h GLU 96 N 0.04 0.89 0.02 1.57 4.39 -0.83 -1.45 114.58 119.21 2cai h GLU 96 Ca 0.03 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.45 2cai h GLU 96 Cb 0.03 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2cai h GLU 96 CO -0.04 0.95 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.33 2cai h LYS 97 N 0.80 -0.33 -0.53 2.33 3.64 -0.47 0.10 116.57 122.11 2cai h LYS 97 Ca 0.13 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2cai h LYS 97 Cb 0.62 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2cai h LYS 97 CO 0.04 -0.22 0.04 -0.07 -2.27 0.00 0.00 179.45 176.97 2cai h LEU 98 N -0.34 0.83 -0.66 5.20 3.38 -1.34 0.22 115.31 122.60 2cai h LEU 98 Ca 0.05 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2cai h LEU 98 Cb 0.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2cai h LEU 98 CO -0.18 0.87 0.40 0.40 0.09 0.00 0.00 178.44 180.02 2cai h ILE 99 N 0.81 1.07 -0.29 1.22 2.04 -1.14 0.38 117.51 121.60 2cai h ILE 99 Ca 0.16 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2cai h ILE 99 Cb 0.43 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2cai h ILE 99 CO 0.02 0.14 0.11 1.23 0.00 0.00 0.00 178.15 179.65 2cai h GLY 100 N 0.79 0.47 0.94 5.37 0.00 -0.27 0.18 103.07 110.55 2cai h GLY 100 Ca 0.27 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2cai h GLY 100 CO -0.12 0.25 0.00 1.46 0.00 0.00 0.00 176.54 178.13 2cai h GLN 101 N 0.31 0.67 -0.65 4.80 4.20 -0.37 0.20 115.11 124.28 2cai h GLN 101 Ca 0.10 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.66 2cai h GLN 101 Cb 0.20 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2cai h GLN 101 CO -0.01 0.77 0.33 0.00 -0.67 0.00 0.00 178.83 179.26 2cai h ALA 102 N 0.88 0.87 0.00 3.87 0.00 -0.19 -2.42 119.26 122.28 2cai h ALA 102 Ca 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2cai h ALA 102 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2cai h ALA 102 CO 0.02 -0.03 -0.49 0.93 0.00 0.00 0.00 179.25 179.68 2cai h GLU 103 N 0.60 0.00 -0.92 0.00 4.39 -0.15 0.17 114.58 118.67 2cai h GLU 103 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2cai h GLU 103 Cb 0.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2cai h GLU 103 CO -0.22 0.49 0.59 -0.44 -1.16 0.00 0.00 179.01 178.27 2cai h ASP 104 N 0.00 1.08 -0.24 1.42 3.45 -0.29 -1.77 116.42 120.06 2cai h ASP 104 Ca -0.00 -0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.25 2cai h ASP 104 Cb 0.91 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 2cai h ASP 104 CO 0.06 0.80 -0.48 0.25 -1.57 0.00 0.00 179.24 178.30 2cai h LEU 105 N 1.26 0.85 -1.32 1.55 5.85 -0.88 -3.11 115.31 119.51 2cai h LEU 105 Ca 0.33 -0.54 0.15 0.00 0.84 0.00 0.00 57.88 58.67 2cai h LEU 105 Cb -0.11 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.61 2cai h LEU 105 CO -0.07 1.23 0.58 -0.08 -0.34 0.00 0.00 178.44 179.76 2cai h GLU 106 N 0.49 0.62 -0.76 1.25 4.57 -0.45 -2.32 114.58 117.98 2cai h GLU 106 Ca 0.01 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2cai h GLU 106 Cb 1.09 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 2cai h GLU 106 CO 0.11 0.41 0.29 1.25 -1.18 0.00 0.00 179.01 179.89 2cai h HIS 107 N 0.64 1.17 0.59 0.92 2.76 -1.25 0.10 115.15 120.09 2cai h HIS 107 Ca 0.45 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 2cai h HIS 107 Cb 0.80 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 2cai h HIS 107 CO -0.00 0.90 -0.34 0.93 -1.30 0.00 0.00 177.93 178.12 2cai h GLU 108 N 1.12 -0.84 -1.00 5.26 4.39 -1.47 -3.00 114.58 119.03 2cai h GLU 108 Ca 0.25 0.06 0.23 0.00 0.34 0.00 0.00 59.36 60.24 2cai h GLU 108 Cb 0.24 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 2cai h GLU 108 CO -0.02 -0.56 0.60 -0.92 -1.16 0.00 0.00 179.01 176.95 2cai h TYR 109 N -0.87 1.04 0.00 4.33 3.20 -1.11 -1.01 116.97 122.55 2cai h TYR 109 Ca -0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2cai h TYR 109 Cb 0.70 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2cai h TYR 109 CO -0.08 0.12 -0.10 1.88 -1.64 0.00 0.00 178.16 178.35 2cai h TYR 110 N 0.64 0.00 0.00 -3.82 0.99 -0.67 -1.80 116.97 112.31 2cai h TYR 110 Ca 0.62 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.35 2cai h TYR 110 Cb 1.12 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.85 2cai h TYR 110 CO -0.01 0.10 0.00 0.87 -0.00 0.00 0.00 178.16 179.12 2cai h LYS 111 N 0.00 0.00 0.00 4.88 1.57 -1.11 -2.41 116.57 119.50 2cai h LYS 111 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cai h LYS 111 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2cai h LYS 111 CO 0.01 0.00 -0.91 0.25 -0.57 0.00 0.00 179.45 178.23 2cai n THR 112 N -2.59 0.09 -2.10 -0.16 -2.24 -0.68 -4.97 114.28 101.63 2cai n THR 112 Ca -0.02 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 2cai n THR 112 Cb 0.06 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.53 3.37 -1.55 3.22 1.43 -0.91 -4.06 118.68 116.66 2cai s LEU 113 Ca 0.06 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 2cai s LEU 113 Cb 0.15 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 42.09 2cai s LEU 113 CO 0.79 -0.76 0.83 0.23 0.23 0.00 0.00 176.35 177.67 2cai n MET 114 N -2.43 -4.48 -4.25 1.70 2.81 -1.26 -4.99 117.12 104.22 2cai n MET 114 Ca 0.05 0.51 -0.18 0.00 -1.81 0.00 0.00 57.70 56.27 2cai n MET 114 Cb 0.54 -5.22 -0.11 0.00 -0.71 0.00 0.00 33.22 27.72 2cai n MET 114 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2cai s LYS 115 N -6.64 1.05 0.61 0.03 1.02 -1.26 -5.12 119.74 109.42 2cai s LYS 115 Ca 0.54 -1.27 -0.14 0.00 0.02 0.00 0.00 55.97 55.13 2cai s LYS 115 Cb -0.28 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2cai s LYS 115 CO 0.87 0.18 1.03 -2.14 -0.92 0.00 0.00 175.35 174.36 2cai s PRO 116 N -2.75 3.43 0.29 -1.68 0.02 -1.26 -4.76 135.00 128.29 2cai s PRO 116 Ca 0.10 0.97 0.04 0.00 0.02 0.00 0.00 61.00 62.13 2cai s PRO 116 Cb -0.04 -2.06 0.68 0.00 0.02 0.00 0.00 34.50 33.10 2cai s PRO 116 CO 0.03 -0.70 1.77 0.93 -0.33 0.00 0.00 177.00 178.70 2cai h GLU 117 N 0.07 0.70 0.16 5.54 4.39 -1.99 0.23 114.58 123.68 2cai h GLU 117 Ca -0.45 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 2cai h GLU 117 Cb 1.20 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2cai h GLU 117 CO 0.59 0.46 -0.08 1.49 -1.16 0.00 0.00 179.01 180.32 2cai h GLU 118 N 0.72 -0.21 -0.35 2.33 4.22 -1.99 0.82 114.58 120.12 2cai h GLU 118 Ca 0.55 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.96 2cai h GLU 118 Cb 0.83 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2cai h GLU 118 CO -0.38 0.06 0.07 0.93 -2.18 0.00 0.00 179.01 177.50 2cai h GLU 119 N -0.47 0.58 -0.41 1.92 4.39 -1.84 -2.38 114.58 116.37 2cai h GLU 119 Ca -0.02 -0.15 0.08 0.00 0.34 0.00 0.00 59.36 59.61 2cai h GLU 119 Cb 0.37 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 2cai h GLU 119 CO 0.04 0.64 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.21 2cai h LYS 120 N 0.42 0.01 -0.29 2.33 3.64 -0.51 0.13 116.57 122.30 2cai h LYS 120 Ca 0.11 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2cai h LYS 120 Cb 0.34 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2cai h LYS 120 CO 0.00 0.00 -0.24 1.96 -2.27 0.00 0.00 179.45 178.91 2cai h GLN 121 N 0.01 0.56 0.10 1.90 1.08 -0.78 -0.42 115.11 117.56 2cai h GLN 121 Ca 0.20 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2cai h GLN 121 Cb 0.30 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2cai h GLN 121 CO -0.42 0.76 -0.05 -0.22 -0.95 0.00 0.00 178.83 177.96 2cai h LYS 122 N 0.50 -0.12 -0.41 1.46 3.64 -0.83 -1.18 116.57 119.62 2cai h LYS 122 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2cai h LYS 122 Cb 0.69 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2cai h LYS 122 CO 0.05 -0.02 0.26 0.82 -2.27 0.00 0.00 179.45 178.30 2cai h ILE 123 N -0.20 1.12 -0.35 2.00 2.04 -0.51 0.08 117.51 121.68 2cai h ILE 123 Ca -0.01 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.68 2cai h ILE 123 Cb 0.16 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2cai h ILE 123 CO 0.02 0.11 -0.02 0.40 0.00 0.00 0.00 178.15 178.66 2cai h ILE 124 N 0.55 0.71 -0.65 -0.67 2.04 -1.04 0.19 117.51 118.65 2cai h ILE 124 Ca 0.15 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 2cai h ILE 124 Cb -0.04 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2cai h ILE 124 CO -0.03 0.01 0.19 0.50 0.00 0.00 0.00 178.15 178.82 2cai h LYS 125 N 0.07 1.02 -0.02 2.37 3.64 -0.89 -0.82 116.57 121.94 2cai h LYS 125 Ca 0.17 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2cai h LYS 125 Cb 0.25 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2cai h LYS 125 CO -0.31 0.90 -0.22 0.93 -2.27 0.00 0.00 179.45 178.48 2cai h GLU 126 N 0.94 -0.33 -0.14 1.90 5.08 -0.23 -2.41 114.58 119.39 2cai h GLU 126 Ca 0.21 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.42 2cai h GLU 126 Cb 0.32 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2cai h GLU 126 CO -0.00 -0.22 -0.63 -0.84 -1.00 0.00 0.00 179.01 176.32 2cai h ILE 127 N -0.34 1.34 0.00 3.13 3.07 -0.48 -2.17 117.51 122.06 2cai h ILE 127 Ca 0.07 -1.93 -0.01 0.00 1.55 0.00 0.00 64.86 64.53 2cai h ILE 127 Cb 0.43 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2cai h ILE 127 CO -0.22 0.59 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.34 2cai h LEU 128 N 0.38 0.00 -3.61 0.16 3.38 -1.14 -0.92 115.31 113.57 2cai h LEU 128 Ca -0.01 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.56 2cai h LEU 128 Cb 1.19 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 2cai h LEU 128 CO 0.12 0.06 -0.18 0.59 0.09 0.00 0.00 178.44 179.12 2cai n ASN 129 N -3.20 4.28 0.00 -0.43 4.13 -0.91 -4.50 115.26 114.63 2cai n ASN 129 Ca 0.00 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.48 2cai n ASN 129 Cb 0.32 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 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 -0.94 3.49 0.13 7.41 0.00 -0.40 -4.94 105.19 109.94 2cai n GLY 130 Ca 0.42 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.12 1.61 1.57 -1.77 -3.38 116.57 114.48 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 0.21 -0.19 0.28 -0.57 0.00 0.00 179.45 179.18 2cai h VAL 132 N 0.00 0.52 -0.70 0.50 2.07 -1.74 0.19 116.25 117.09 2cai h VAL 132 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2cai h VAL 132 Cb 1.28 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 2cai h VAL 132 CO 0.03 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.36 2cai h PRO 133 N -0.25 0.68 -0.53 1.57 0.11 -1.78 0.12 132.00 131.93 2cai h PRO 133 Ca 0.09 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2cai h PRO 133 Cb 0.39 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2cai h PRO 133 CO -0.26 0.45 0.35 0.28 -0.21 0.00 0.00 178.00 178.61 2cai h VAL 134 N 0.71 1.13 0.00 3.15 2.07 -1.54 -0.73 116.25 121.04 2cai h VAL 134 Ca 0.32 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 2cai h VAL 134 Cb 0.22 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2cai h VAL 134 CO -0.20 0.13 -0.51 -0.07 0.02 0.00 0.00 177.57 176.94 2cai h LEU 135 N 0.71 0.00 -0.44 2.57 3.38 0.11 -2.33 115.31 119.31 2cai h LEU 135 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 2cai h LEU 135 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2cai h LEU 135 CO -0.04 0.51 -0.42 -0.07 0.09 0.00 0.00 178.44 178.51 2cai h LEU 136 N 0.00 0.90 -0.72 1.67 3.38 -0.10 -2.37 115.31 118.08 2cai h LEU 136 Ca -0.01 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2cai h LEU 136 Cb 0.98 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2cai h LEU 136 CO 0.07 1.20 0.22 0.44 0.09 0.00 0.00 178.44 180.46 2cai h ASP 137 N 0.68 1.05 -0.48 -0.43 3.32 -0.91 0.11 116.42 119.76 2cai h ASP 137 Ca 0.05 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2cai h ASP 137 Cb 1.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2cai h ASP 137 CO 0.10 0.98 0.25 0.40 -1.72 0.00 0.00 179.24 179.25 2cai h ILE 138 N 1.06 1.18 -0.39 0.35 2.04 -1.38 0.16 117.51 120.52 2cai h ILE 138 Ca 0.23 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2cai h ILE 138 Cb 0.31 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2cai h ILE 138 CO -0.01 0.19 0.21 0.40 0.00 0.00 0.00 178.15 178.95 2cai h ILE 139 N 0.64 1.00 -0.64 -0.67 2.04 -1.13 0.14 117.51 118.90 2cai h ILE 139 Ca 0.17 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2cai h ILE 139 Cb 0.08 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2cai h ILE 139 CO -0.02 0.08 0.35 0.00 0.00 0.00 0.00 178.15 178.55 2cai h GLU 141 N 0.64 -0.02 -0.43 0.00 5.08 -0.29 0.14 114.58 119.71 2cai h GLU 141 Ca 0.29 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2cai h GLU 141 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2cai h GLU 141 CO -0.18 -0.01 0.24 0.77 -1.00 0.00 0.00 179.01 178.83 2cai h SER 142 N -0.02 0.38 -0.43 1.42 0.02 -0.34 -1.85 113.55 112.73 2cai h SER 142 Ca 0.06 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2cai h SER 142 Cb 0.11 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 2cai h SER 142 CO -0.14 0.27 0.17 -0.07 -1.14 0.00 0.00 176.83 175.92 2cai h LEU 143 N 0.48 0.19 -1.24 5.07 3.38 -0.64 -2.54 115.31 120.02 2cai h LEU 143 Ca 0.18 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.29 2cai h LEU 143 Cb 0.04 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2cai h LEU 143 CO -0.10 0.15 0.56 0.50 0.09 0.00 0.00 178.44 179.64 2cai h LYS 144 N 0.34 0.80 -0.11 1.13 3.64 -0.17 -2.41 116.57 119.80 2cai h LYS 144 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2cai h LYS 144 Cb 0.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2cai h LYS 144 CO -0.19 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.52 2cai n ALA 145 N -2.42 2.51 -1.77 5.00 0.00 -0.75 -4.89 120.51 118.20 2cai n ALA 145 Ca 0.15 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 2cai n ALA 145 Cb 0.33 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.22 6.25 0.00 0.00 0.15 -0.91 -4.90 113.70 113.07 2cai s SER 146 Ca 0.17 2.30 0.26 0.00 0.70 0.00 0.00 55.95 59.38 2cai s SER 146 Cb 0.09 -2.60 1.36 0.00 -1.71 0.00 0.00 66.02 63.15 2cai s SER 146 CO 0.13 -0.86 1.87 0.35 1.20 0.00 0.00 173.24 175.93 2cai n THR 147 N -0.38 0.14 -3.24 6.45 -2.24 -1.26 -4.89 114.28 108.86 2cai n THR 147 Ca 0.07 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2cai n THR 147 Cb 0.48 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.81 3.90 0.21 3.38 0.00 -1.26 -4.86 105.19 107.38 2cai n GLY 148 Ca 0.14 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.86 -3.44 116.57 119.45 2cai h LYS 149 Ca 0.00 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.37 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 0.10 -0.06 1.28 -2.06 0.00 0.00 179.45 178.71 2cai n LEU 150 N -3.13 0.00 -0.22 2.94 4.77 -0.10 -4.81 117.00 116.45 2cai n LEU 150 Ca 0.03 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 2cai n LEU 150 Cb 0.55 -0.12 0.12 0.00 -2.33 0.00 0.00 43.42 41.63 2cai n LEU 150 CO 0.35 -0.52 1.03 0.00 -1.33 0.00 0.00 177.39 176.91 2cai h ALA 151 N 0.47 0.86 -3.03 -1.18 0.00 -1.89 -3.38 119.26 111.10 2cai h ALA 151 Ca -0.12 0.06 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 2cai h ALA 151 Cb 0.53 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.91 2cai h ALA 151 CO 0.19 -0.11 -0.76 0.08 0.00 0.00 0.00 179.25 178.65 2cai s VAL 152 N -6.08 0.01 0.00 0.00 1.01 -1.26 -4.58 120.40 109.50 2cai s VAL 152 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2cai s VAL 152 Cb 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2cai s VAL 152 CO 0.75 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2cai n GLY 153 N 5.24 -0.59 0.58 4.51 0.00 -1.26 -4.28 105.19 109.39 2cai n GLY 153 Ca -0.07 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.95 2.17 -4.70 1.61 8.00 -1.26 -0.93 116.55 120.49 2cai n ASP 154 Ca 0.00 -1.59 -0.29 0.00 0.71 0.00 0.00 54.79 53.63 2cai n ASP 154 Cb 0.00 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.40 2.58 0.17 -1.24 -0.14 -1.26 -4.75 119.74 113.70 2cai s LYS 155 Ca 0.17 -0.89 -0.31 0.00 -1.36 0.00 0.00 55.97 53.58 2cai s LYS 155 Cb 0.13 -2.53 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 2cai s LYS 155 CO 0.23 0.52 1.51 0.08 -0.76 0.00 0.00 175.35 176.93 2cai s VAL 156 N -1.45 2.74 0.27 3.17 1.01 -1.26 -4.72 120.40 120.16 2cai s VAL 156 Ca 0.27 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.84 2cai s VAL 156 Cb -0.11 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 2cai s VAL 156 CO 0.19 0.05 0.00 0.42 0.00 0.00 0.00 175.10 175.77 2cai s THR 157 N 0.93 1.23 0.52 3.92 -4.23 -1.26 -4.56 115.64 112.18 2cai s THR 157 Ca 0.67 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.37 2cai s THR 157 Cb -0.42 -2.51 0.38 0.00 1.34 0.00 0.00 72.50 71.28 2cai s THR 157 CO 0.33 -0.21 2.01 0.25 -0.54 0.00 0.00 174.62 176.46 2cai h LEU 158 N 2.31 0.04 -1.29 4.79 5.85 -1.31 -2.02 115.31 123.67 2cai h LEU 158 Ca -0.39 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.39 2cai h LEU 158 Cb 1.23 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2cai h LEU 158 CO 0.67 0.02 0.52 0.00 -0.34 0.00 0.00 178.44 179.30 2cai h ALA 159 N 1.76 1.63 -0.78 1.25 0.00 -1.83 -0.99 119.26 120.30 2cai h ALA 159 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2cai h ALA 159 Cb 0.86 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2cai h ALA 159 CO -0.01 0.25 0.41 -0.44 0.00 0.00 0.00 179.25 179.45 2cai h ASP 160 N 0.86 0.99 0.12 0.00 3.32 -1.76 -2.58 116.42 117.36 2cai h ASP 160 Ca 0.34 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2cai h ASP 160 Cb 0.23 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.55 2cai h ASP 160 CO -0.12 0.81 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.43 2cai h LEU 161 N 1.10 0.39 -1.26 1.55 3.38 -1.32 -2.49 115.31 116.65 2cai h LEU 161 Ca 0.27 -0.96 0.10 0.00 0.09 0.00 0.00 57.88 57.38 2cai h LEU 161 Cb 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2cai h LEU 161 CO -0.04 1.34 0.55 0.58 0.09 0.00 0.00 178.44 180.96 2cai h VAL 162 N -0.47 0.96 -0.53 1.22 2.07 -1.30 -1.49 116.25 116.71 2cai h VAL 162 Ca -0.13 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2cai h VAL 162 Cb 1.55 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2cai h VAL 162 CO 0.12 0.15 0.12 -0.07 0.02 0.00 0.00 177.57 177.91 2cai h LEU 163 N 0.82 0.82 -0.17 2.57 4.07 -1.32 0.80 115.31 122.89 2cai h LEU 163 Ca 0.39 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.14 2cai h LEU 163 Cb 0.43 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2cai h LEU 163 CO -0.16 0.85 0.02 0.40 -1.08 0.00 0.00 178.44 178.47 2cai h ILE 164 N 0.75 0.91 0.09 1.22 1.08 -1.08 -1.45 117.51 119.03 2cai h ILE 164 Ca 0.17 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.60 2cai h ILE 164 Cb 0.36 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2cai h ILE 164 CO 0.00 0.02 -0.04 0.00 -0.69 0.00 0.00 178.15 177.44 2cai h ALA 165 N 1.13 -0.11 -0.17 1.87 0.00 -0.78 -2.41 119.26 118.78 2cai h ALA 165 Ca 0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2cai h ALA 165 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2cai h ALA 165 CO -0.11 -0.56 -0.49 0.28 0.00 0.00 0.00 179.25 178.37 2cai h VAL 166 N -0.12 1.33 -0.68 0.00 2.07 -0.81 -2.58 116.25 115.46 2cai h VAL 166 Ca -0.01 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 2cai h VAL 166 Cb 0.09 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2cai h VAL 166 CO 0.02 0.54 0.21 0.40 0.02 0.00 0.00 177.57 178.76 2cai h ILE 167 N 0.31 1.25 -0.41 4.57 1.08 -1.30 -1.90 117.51 121.12 2cai h ILE 167 Ca -0.01 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 2cai h ILE 167 Cb 1.10 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 2cai h ILE 167 CO 0.10 0.34 0.15 0.44 -0.69 0.00 0.00 178.15 178.49 2cai h ASP 168 N 1.01 0.52 -0.51 1.72 3.45 -1.37 0.58 116.42 121.82 2cai h ASP 168 Ca 0.22 -0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 2cai h ASP 168 Cb 0.29 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 2cai h ASP 168 CO -0.01 0.49 -0.14 0.45 -1.57 0.00 0.00 179.24 178.46 2cai h HIS 169 N 0.58 1.12 -0.37 4.55 3.86 -0.98 -1.38 115.15 122.52 2cai h HIS 169 Ca 0.14 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2cai h HIS 169 Cb 0.14 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2cai h HIS 169 CO 0.01 1.06 0.19 0.28 0.86 0.00 0.00 177.93 180.33 2cai h VAL 170 N 0.86 1.15 0.00 2.45 2.07 -0.47 -2.53 116.25 119.79 2cai h VAL 170 Ca 0.13 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2cai h VAL 170 Cb 0.71 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2cai h VAL 170 CO 0.05 0.16 0.00 0.71 0.02 0.00 0.00 177.57 178.51 2cai h THR 171 N 0.47 0.00 -0.56 2.57 1.35 -0.89 -1.20 112.91 114.66 2cai h THR 171 Ca 0.13 -0.53 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 2cai h THR 171 Cb 0.08 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 2cai h THR 171 CO -0.02 0.00 0.21 0.44 -0.25 0.00 0.00 175.52 175.90 2cai h ASP 172 N 0.00 0.78 -0.40 5.36 3.45 -0.84 -2.90 116.42 121.88 2cai h ASP 172 Ca 0.00 -0.18 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 2cai h ASP 172 Cb 0.57 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 2cai h ASP 172 CO 0.00 0.75 0.09 -0.07 -1.57 0.00 0.00 179.24 178.44 2cai h LEU 173 N 0.77 0.61 -6.73 1.55 3.38 -0.99 -3.42 115.31 110.48 2cai h LEU 173 Ca 0.18 -0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 2cai h LEU 173 Cb 0.22 -0.16 -0.35 0.00 0.09 0.00 0.00 40.66 40.46 2cai h LEU 173 CO -0.01 0.69 -0.61 -0.62 0.09 0.00 0.00 178.44 177.98 2cai s ASP 174 N -6.02 1.26 0.47 -0.43 -1.08 -0.54 -5.03 116.67 105.30 2cai s ASP 174 Ca -0.13 -0.19 0.26 0.00 -0.52 0.00 0.00 52.55 51.96 2cai s ASP 174 Cb 0.10 0.48 1.09 0.00 -1.46 0.00 0.00 42.92 43.13 2cai s ASP 174 CO 0.77 -0.33 1.90 0.11 0.52 0.00 0.00 175.17 178.14 2cai h LYS 175 N 8.29 0.00 -0.33 4.34 1.79 -1.77 -2.26 116.57 126.63 2cai h LYS 175 Ca -0.17 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2cai h LYS 175 Cb 1.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2cai h LYS 175 CO 0.28 0.18 0.01 0.39 -1.08 0.00 0.00 179.45 179.23 2cai n GLU 176 N -3.41 3.21 0.21 3.15 4.71 -1.26 -4.70 120.64 122.54 2cai n GLU 176 Ca -0.00 -2.92 0.05 0.00 -0.01 0.00 0.00 57.16 54.28 2cai n GLU 176 Cb 0.37 -1.93 0.46 0.00 -1.01 0.00 0.00 31.44 29.33 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 2.13 0.00 -0.02 -0.32 3.57 -1.77 -2.72 116.94 117.82 2cai h PHE 177 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2cai h PHE 177 Cb 1.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2cai h PHE 177 CO 0.64 0.29 -0.31 1.28 -2.23 0.00 0.00 178.31 177.98 2cai n LEU 178 N -4.01 2.16 -4.67 0.59 4.32 -1.26 -4.87 117.00 109.27 2cai n LEU 178 Ca -0.02 -0.83 -0.42 0.00 -0.02 0.00 0.00 56.01 54.72 2cai n LEU 178 Cb 0.35 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.12 2cai n LEU 178 CO 0.36 0.39 1.52 -0.89 -1.22 0.00 0.00 177.39 177.56 2cai s THR 179 N -2.16 2.94 0.00 -5.08 2.01 -1.03 -2.03 115.64 110.29 2cai s THR 179 Ca 0.19 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2cai s THR 179 Cb 0.17 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.60 2cai s THR 179 CO 0.45 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2cai n GLY 180 N 4.38 0.76 3.51 4.40 0.00 -1.26 -4.99 105.19 112.00 2cai n GLY 180 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.16 1.95 -1.49 1.61 1.02 -0.86 -4.92 119.74 116.89 2cai s LYS 181 Ca 0.00 -2.20 -0.04 0.00 0.02 0.00 0.00 55.97 53.75 2cai s LYS 181 Cb 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2cai s LYS 181 CO 0.00 -0.51 0.12 0.66 -0.92 0.00 0.00 175.35 174.71 2cai n TYR 182 N -0.92 -1.31 -0.22 3.18 4.02 -1.26 -4.81 117.16 115.83 2cai n TYR 182 Ca -0.06 0.56 0.21 0.00 -0.01 0.00 0.00 57.90 58.60 2cai n TYR 182 Cb 0.65 -2.89 0.56 0.00 -0.02 0.00 0.00 39.34 37.64 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 -1.90 0.30 -0.66 -0.72 0.13 -1.92 -1.02 132.00 126.22 2cai h PRO 183 Ca -0.66 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 2cai h PRO 183 Cb 1.40 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2cai h PRO 183 CO 0.68 0.20 0.36 0.93 -0.23 0.00 0.00 178.00 179.93 2cai h GLU 184 N 0.31 0.90 -0.12 0.86 3.07 -1.92 0.13 114.58 117.80 2cai h GLU 184 Ca 0.46 -0.09 -0.23 0.00 -0.50 0.00 0.00 59.36 59.00 2cai h GLU 184 Cb 1.28 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 29.02 2cai h GLU 184 CO -0.14 0.66 -0.82 0.82 -1.40 0.00 0.00 179.01 178.13 2cai h ILE 185 N 0.91 1.29 -0.15 3.13 2.04 -1.54 -0.05 117.51 123.14 2cai h ILE 185 Ca 0.23 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 2cai h ILE 185 Cb 0.02 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2cai h ILE 185 CO -0.04 0.64 0.06 0.45 0.00 0.00 0.00 178.15 179.26 2cai h HIS 186 N 0.50 0.23 -0.39 1.37 3.86 -1.34 -2.76 115.15 116.62 2cai h HIS 186 Ca -0.06 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 2cai h HIS 186 Cb 1.45 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 2cai h HIS 186 CO 0.09 0.31 -0.07 -0.22 0.86 0.00 0.00 177.93 178.90 2cai h LYS 187 N 0.09 0.66 -0.45 2.45 1.63 -0.94 -2.60 116.57 117.41 2cai h LYS 187 Ca 0.05 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2cai h LYS 187 Cb 0.17 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2cai h LYS 187 CO -0.00 0.73 0.22 1.25 -3.45 0.00 0.00 179.45 178.19 2cai h HIS 188 N 0.61 0.65 -0.41 1.91 2.76 -0.86 0.17 115.15 119.98 2cai h HIS 188 Ca 0.11 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2cai h HIS 188 Cb 0.49 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 2cai h HIS 188 CO 0.02 0.52 0.23 0.00 -1.30 0.00 0.00 177.93 177.39 2cai h ARG 189 N 0.59 0.44 -0.33 5.26 3.08 -1.36 0.24 114.38 122.31 2cai h ARG 189 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2cai h ARG 189 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2cai h ARG 189 CO -0.02 0.29 0.16 0.93 -1.07 0.00 0.00 179.97 180.27 2cai h GLU 190 N 0.46 0.46 -0.68 0.04 5.08 -1.03 -2.33 114.58 116.57 2cai h GLU 190 Ca 0.17 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2cai h GLU 190 Cb 0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2cai h GLU 190 CO -0.09 0.42 0.22 -0.91 -1.00 0.00 0.00 179.01 177.65 2cai h ASN 191 N 0.39 0.97 0.26 1.42 2.35 -0.38 -2.10 115.58 118.50 2cai h ASN 191 Ca 0.11 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2cai h ASN 191 Cb 0.10 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2cai h ASN 191 CO -0.02 0.89 -0.13 0.25 -1.65 0.00 0.00 177.43 176.78 2cai h LEU 192 N 1.01 -0.30 -0.97 1.61 5.85 -0.33 -0.08 115.31 122.10 2cai h LEU 192 Ca 0.22 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 2cai h LEU 192 Cb 0.27 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2cai h LEU 192 CO -0.01 -0.21 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.64 2cai h LEU 193 N -0.35 0.55 -1.18 2.25 3.38 -1.36 -1.00 115.31 117.60 2cai h LEU 193 Ca -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2cai h LEU 193 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2cai h LEU 193 CO 0.06 0.73 -0.25 0.00 0.09 0.00 0.00 178.44 179.07 2cai h ALA 194 N 1.32 1.32 0.00 1.53 0.00 -1.30 -3.09 119.26 119.04 2cai h ALA 194 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2cai h ALA 194 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cai h ALA 194 CO 0.04 0.47 -0.39 0.77 0.00 0.00 0.00 179.25 180.13 2cai h SER 195 N 0.23 0.00 -2.93 0.00 0.02 -0.13 -3.42 113.55 107.31 2cai h SER 195 Ca 0.04 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.40 2cai h SER 195 Cb 0.57 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.72 2cai h SER 195 CO 0.04 0.01 -0.79 -0.55 -1.14 0.00 0.00 176.83 174.40 2cai s SER 196 N -5.60 3.50 0.30 3.07 0.15 -0.46 -4.99 113.70 109.67 2cai s SER 196 Ca 0.05 -1.86 0.05 0.00 0.70 0.00 0.00 55.95 54.89 2cai s SER 196 Cb 0.08 -0.60 0.74 0.00 -1.71 0.00 0.00 66.02 64.53 2cai s SER 196 CO 0.71 -0.37 1.75 -0.65 1.20 0.00 0.00 173.24 175.88 2cai h PRO 197 N 7.64 0.62 -0.35 5.44 0.11 -1.83 0.68 132.00 144.30 2cai h PRO 197 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2cai h PRO 197 Cb 0.99 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 2cai h PRO 197 CO 0.40 0.41 0.14 0.00 -0.21 0.00 0.00 178.00 178.74 2cai h ARG 198 N 0.64 0.53 -0.25 1.05 3.08 -1.91 0.99 114.38 118.51 2cai h ARG 198 Ca 0.57 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.49 2cai h ARG 198 Cb 0.96 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2cai h ARG 198 CO -0.42 0.51 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.91 2cai h LEU 199 N 0.42 0.44 -0.31 3.04 4.07 -1.68 -1.33 115.31 119.97 2cai h LEU 199 Ca 0.12 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 57.82 2cai h LEU 199 Cb 0.18 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.74 2cai h LEU 199 CO -0.01 0.65 -0.09 0.00 -1.08 0.00 0.00 178.44 177.91 2cai h ALA 200 N 0.80 0.18 -0.13 1.53 0.00 -0.73 0.34 119.26 121.25 2cai h ALA 200 Ca 0.07 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2cai h ALA 200 Cb 0.43 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2cai h ALA 200 CO 0.01 -0.48 -0.04 -0.22 0.00 0.00 0.00 179.25 178.53 2cai h LYS 201 N -0.02 -0.01 0.06 0.00 3.64 -0.72 -2.32 116.57 117.20 2cai h LYS 201 Ca 0.15 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2cai h LYS 201 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2cai h LYS 201 CO -0.33 -0.00 -0.03 -0.92 -2.27 0.00 0.00 179.45 175.90 2cai h TYR 202 N -0.01 -0.07 0.00 1.91 5.03 -0.61 -0.14 116.97 123.09 2cai h TYR 202 Ca 0.06 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2cai h TYR 202 Cb 0.10 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2cai h TYR 202 CO -0.17 0.20 0.00 -0.07 -1.32 0.00 0.00 178.16 176.79 2cai h LEU 203 N -0.34 0.00 -2.27 2.82 3.38 -0.37 -2.15 115.31 116.38 2cai h LEU 203 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cai h LEU 203 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cai h LEU 203 CO 0.01 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 2cai n SER 204 N -2.94 3.40 -3.62 -0.43 3.41 -0.87 -4.99 113.62 107.57 2cai n SER 204 Ca 0.02 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.41 2cai n SER 204 Cb 0.39 -0.23 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.46 -5.40 0.13 4.04 4.64 -0.81 -4.91 116.55 115.70 2cai n ASP 205 Ca 0.19 -0.59 -0.02 0.00 -1.38 0.00 0.00 54.79 52.99 2cai n ASP 205 Cb 0.60 -4.87 0.20 0.00 -1.04 0.00 0.00 41.12 36.02 2cai n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2cai h ARG 206 N -2.49 0.08 0.00 -0.67 1.12 -1.30 -3.47 114.38 107.65 2cai h ARG 206 Ca -0.58 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.24 2cai h ARG 206 Cb 1.37 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.33 2cai h ARG 206 CO 0.57 0.61 0.00 0.00 -3.11 0.00 0.00 179.97 178.03 2cai n ALA 207 N -2.45 0.00 -2.63 2.80 0.00 -1.26 -4.73 120.51 112.24 2cai n ALA 207 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2cai n ALA 207 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 0.02 5.97 -1.87 0.00 0.00 -1.26 -5.03 120.51 118.34 2cai n ALA 208 Ca 0.00 -4.59 -0.42 0.00 0.00 0.00 0.00 53.44 48.43 2cai n ALA 208 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 2cai n ALA 208 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2cai s THR 209 N -3.59 3.15 0.41 0.00 -1.32 -1.26 -4.97 115.64 108.05 2cai s THR 209 Ca 0.39 0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 61.01 2cai s THR 209 Cb 0.16 -3.26 -0.09 0.00 -1.51 0.00 0.00 72.50 67.80 2cai s THR 209 CO -0.08 -0.02 1.38 -2.16 -2.21 0.00 0.00 174.62 171.54 2cai s PRO 210 N 3.49 3.93 0.00 7.08 0.04 -1.26 -5.29 135.00 142.98 2cai s PRO 210 Ca 0.78 2.34 0.00 0.00 0.04 0.00 0.00 61.00 64.16 2cai s PRO 210 Cb -0.39 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2cai s PRO 210 CO 0.34 -0.59 0.43 0.34 0.04 0.00 0.00 177.00 177.56