#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwn s PRO 2 N 0.00 1.91 0.33 0.00 0.05 -1.26 -4.97 135.00 131.06 3hwn s PRO 2 Ca 0.00 -0.22 0.25 0.00 0.05 0.00 0.00 61.00 61.08 3hwn s PRO 2 Cb 0.00 -2.08 0.71 0.00 0.05 0.00 0.00 34.50 33.18 3hwn s PRO 2 CO 0.00 -1.49 1.73 0.00 0.05 0.00 0.00 177.00 177.29 3hwn h ARG 3 N -0.85 0.00 -4.74 4.56 3.08 -2.01 -3.44 114.38 110.99 3hwn h ARG 3 Ca -0.44 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.15 3hwn h ARG 3 Cb 1.31 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.05 3hwn h ARG 3 CO 0.58 0.00 -0.80 -1.54 -1.07 0.00 0.00 179.97 177.14 3hwn s SER 4 N -5.24 1.44 -0.09 7.04 1.04 -1.26 -4.55 113.70 112.09 3hwn s SER 4 Ca 0.08 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3hwn s SER 4 Cb 0.09 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.82 3hwn s SER 4 CO 0.60 0.08 -0.12 -0.69 0.98 0.00 0.00 173.24 174.09 3hwn s VAL 5 N 0.19 1.18 -0.38 5.02 1.01 -0.85 -4.97 120.40 121.60 3hwn s VAL 5 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hwn s VAL 5 Cb -0.10 -1.10 0.13 0.00 0.00 0.00 0.00 36.38 35.32 3hwn s VAL 5 CO 0.01 0.37 0.21 -0.62 0.00 0.00 0.00 175.10 175.07 3hwn s ASP 6 N 0.99 3.31 0.31 3.32 -1.08 -1.26 -2.00 116.67 120.26 3hwn s ASP 6 Ca -0.08 -2.29 0.25 0.00 -0.52 0.00 0.00 52.55 49.91 3hwn s ASP 6 Cb -0.15 -0.66 1.07 0.00 -1.46 0.00 0.00 42.92 41.72 3hwn s ASP 6 CO -0.00 -0.30 1.76 -0.50 0.52 0.00 0.00 175.17 176.64 3hwn h TRP 7 N 7.02 0.00 -0.01 -5.34 4.06 -1.94 -2.38 115.95 117.36 3hwn h TRP 7 Ca 0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 3hwn h TRP 7 Cb 0.96 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.11 3hwn h TRP 7 CO 0.45 0.00 -0.27 0.00 -3.56 0.00 0.00 178.44 175.06 3hwn h ARG 8 N 0.00 0.02 0.00 0.49 3.08 -1.94 -2.69 114.38 113.35 3hwn h ARG 8 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hwn h ARG 8 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hwn h ARG 8 CO 0.00 0.29 0.00 0.93 -1.07 0.00 0.00 179.97 180.12 3hwn h GLU 9 N 0.02 0.00 -0.32 0.04 5.08 -1.85 -2.87 114.58 114.68 3hwn h GLU 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hwn h GLU 9 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hwn h GLU 9 CO 0.04 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 3hwn n LYS 10 N -3.01 2.20 -1.83 2.33 4.76 -1.03 -4.98 118.16 116.61 3hwn n LYS 10 Ca -0.01 -2.02 -0.06 0.00 -2.87 0.00 0.00 58.31 53.36 3hwn n LYS 10 Cb 0.19 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 31.98 3hwn n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hwn n GLY 11 N 1.07 0.34 0.21 0.72 0.00 -1.09 -4.94 105.19 101.50 3hwn n GLY 11 Ca 0.15 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.58 3hwn n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hwn h TYR 12 N 0.00 0.00 -3.35 1.61 -1.99 -1.77 -3.44 116.97 108.03 3hwn h TYR 12 Ca -0.13 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.94 3hwn h TYR 12 Cb 0.89 0.00 -0.26 0.00 2.00 0.00 0.00 36.73 39.35 3hwn h TYR 12 CO 0.16 0.14 -0.73 0.08 -0.00 0.00 0.00 178.16 177.81 3hwn s VAL 13 N -3.22 3.34 1.04 -2.88 1.01 -1.26 -3.34 120.40 115.09 3hwn s VAL 13 Ca 0.05 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 3hwn s VAL 13 Cb 0.06 -2.47 0.22 0.00 0.00 0.00 0.00 36.38 34.19 3hwn s VAL 13 CO 0.67 0.47 1.21 0.42 0.00 0.00 0.00 175.10 177.88 3hwn s THR 14 N 0.90 1.85 0.64 3.92 -4.23 -1.26 -4.98 115.64 112.48 3hwn s THR 14 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.37 3hwn s THR 14 Cb -0.15 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 3hwn s THR 14 CO 0.01 0.00 1.05 -2.84 -0.54 0.00 0.00 174.62 172.29 3hwn s PRO 15 N -5.62 3.25 0.32 3.99 0.02 -1.26 -5.00 135.00 130.70 3hwn s PRO 15 Ca 0.71 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.41 3hwn s PRO 15 Cb -0.08 -2.03 -0.12 0.00 0.02 0.00 0.00 34.50 32.29 3hwn s PRO 15 CO 0.54 -0.85 1.45 0.28 -0.33 0.00 0.00 177.00 178.09 3hwn n VAL 16 N -2.67 1.58 -3.81 3.83 0.31 -1.26 -5.02 118.33 111.28 3hwn n VAL 16 Ca 0.07 -0.39 -0.26 0.00 -0.01 0.00 0.00 64.34 63.75 3hwn n VAL 16 Cb 0.54 -1.77 0.01 0.00 -0.91 0.00 0.00 33.84 31.70 3hwn n VAL 16 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hwn n LYS 17 N 1.17 0.67 -3.77 5.55 5.02 -1.26 -4.74 118.16 120.80 3hwn n LYS 17 Ca 0.06 -3.43 -0.29 0.00 -2.02 0.00 0.00 58.31 52.64 3hwn n LYS 17 Cb 0.36 0.31 -0.16 0.00 -0.02 0.00 0.00 35.03 35.53 3hwn n LYS 17 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hwn s ASN 18 N -4.28 3.36 0.46 4.39 3.84 -1.26 -1.70 114.94 119.76 3hwn s ASN 18 Ca 0.34 -1.09 0.31 0.00 0.21 0.00 0.00 52.86 52.63 3hwn s ASN 18 Cb -0.03 -0.76 1.43 0.00 -0.55 0.00 0.00 41.25 41.35 3hwn s ASN 18 CO 0.22 -0.32 1.94 0.06 -2.79 0.00 0.00 177.10 176.20 3hwn h GLN 19 N 8.16 0.00 0.00 0.43 3.07 -1.72 -3.48 115.11 121.57 3hwn h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3hwn h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3hwn h GLN 19 CO 0.38 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.71 3hwn n GLY 20 N -0.37 1.77 0.09 0.06 0.00 -1.26 -3.56 105.19 101.92 3hwn n GLY 20 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.49 3hwn n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwn n GLN 21 N 13.01 0.63 -1.58 1.61 1.13 -1.26 -4.92 117.38 126.00 3hwn n GLN 21 Ca 0.00 0.12 -0.39 0.00 -1.94 0.00 0.00 57.00 54.80 3hwn n GLN 21 Cb 0.00 -1.76 0.04 0.00 0.11 0.00 0.00 30.24 28.63 3hwn n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hwn n GLY 23 N 1.39 4.52 1.02 0.00 0.00 0.74 -4.58 105.19 108.27 3hwn n GLY 23 Ca 0.12 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.33 3hwn n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hwn n SER 24 N 1.04 3.00 -0.51 1.61 3.41 -1.26 -3.22 113.62 117.70 3hwn n SER 24 Ca 0.51 -1.94 0.44 0.00 -0.26 0.00 0.00 58.87 57.62 3hwn n SER 24 Cb 0.49 -0.27 0.78 0.00 -0.26 0.00 0.00 64.21 64.96 3hwn n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwn h TRP 26 N 0.01 0.40 0.00 0.00 5.08 -1.82 -2.93 115.95 116.69 3hwn h TRP 26 Ca 0.75 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.65 3hwn h TRP 26 Cb 2.97 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 29.03 3hwn h TRP 26 CO -0.00 0.55 0.00 0.00 -1.28 0.00 0.00 178.44 177.71 3hwn h ALA 27 N 1.46 1.00 0.00 0.11 0.00 0.13 -2.38 119.26 119.58 3hwn h ALA 27 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 3hwn h ALA 27 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3hwn h ALA 27 CO 0.04 0.00 -1.92 1.19 0.00 0.00 0.00 179.25 178.56 3hwn n PHE 28 N -2.59 0.68 -0.10 0.00 3.01 -1.19 -2.93 117.46 114.35 3hwn n PHE 28 Ca 0.04 0.25 -0.09 0.00 1.01 0.00 0.00 57.45 58.65 3hwn n PHE 28 Cb 0.38 -1.12 -0.01 0.00 -0.01 0.00 0.00 39.48 38.72 3hwn n PHE 28 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3hwn h SER 29 N 0.00 0.39 -0.31 4.37 0.87 -1.31 -2.14 113.55 115.42 3hwn h SER 29 Ca -0.37 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.05 3hwn h SER 29 Cb 2.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 3hwn h SER 29 CO 0.06 0.30 -0.25 0.00 -0.53 0.00 0.00 176.83 176.42 3hwn h ALA 30 N 1.10 0.44 -0.50 6.23 0.00 -1.57 -1.57 119.26 123.40 3hwn h ALA 30 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3hwn h ALA 30 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hwn h ALA 30 CO -0.02 0.43 0.20 1.79 0.00 0.00 0.00 179.25 181.64 3hwn h THR 31 N 0.46 1.18 0.32 0.00 1.35 -1.57 0.74 112.91 115.39 3hwn h THR 31 Ca 0.06 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 3hwn h THR 31 Cb 0.81 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 3hwn h THR 31 CO 0.06 0.22 -0.25 1.23 -0.25 0.00 0.00 175.52 176.54 3hwn h GLY 32 N 0.85 -0.90 -0.42 5.82 0.00 -0.99 0.74 103.07 108.15 3hwn h GLY 32 Ca 0.17 0.39 0.14 0.00 0.00 0.00 0.00 47.33 48.04 3hwn h GLY 32 CO -0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 176.54 176.05 3hwn h ALA 33 N -1.43 0.49 -0.35 3.60 0.00 -1.11 -0.30 119.26 120.15 3hwn h ALA 33 Ca -0.04 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hwn h ALA 33 Cb 0.45 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hwn h ALA 33 CO 0.01 -0.42 -0.07 1.25 0.00 0.00 0.00 179.25 180.02 3hwn h LEU 34 N 0.00 0.57 0.16 0.00 5.85 -0.76 -1.87 115.31 119.27 3hwn h LEU 34 Ca 0.35 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3hwn h LEU 34 Cb 0.53 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3hwn h LEU 34 CO -0.73 0.69 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.41 3hwn h GLU 35 N 0.55 -0.55 0.00 1.25 5.08 0.23 0.15 114.58 121.29 3hwn h GLU 35 Ca 0.11 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3hwn h GLU 35 Cb 0.47 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3hwn h GLU 35 CO 0.02 -0.37 -0.47 0.78 -1.00 0.00 0.00 179.01 177.97 3hwn h GLY 36 N -0.57 0.00 1.21 -3.84 0.00 -1.42 -1.01 103.07 97.44 3hwn h GLY 36 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.07 3hwn h GLY 36 CO -0.16 0.00 -1.11 1.46 0.00 0.00 0.00 176.54 176.73 3hwn h GLN 37 N 0.00 0.68 0.00 4.80 1.08 -1.26 -2.47 115.11 117.94 3hwn h GLN 37 Ca -0.00 -0.79 -0.05 0.00 -1.45 0.00 0.00 58.65 56.36 3hwn h GLN 37 Cb 1.00 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 3hwn h GLN 37 CO 0.06 1.35 -0.25 0.52 -0.95 0.00 0.00 178.83 179.56 3hwn h MET 38 N 0.35 0.00 -0.43 1.46 2.86 -0.93 -3.03 114.93 115.22 3hwn h MET 38 Ca -0.15 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 3hwn h MET 38 Cb 1.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 3hwn h MET 38 CO 0.22 0.25 -0.19 0.35 1.06 0.00 0.00 176.91 178.59 3hwn h PHE 39 N 0.00 1.02 0.00 -0.22 3.57 -1.05 -2.69 116.94 117.57 3hwn h PHE 39 Ca -0.00 -0.25 -0.10 0.00 3.53 0.00 0.00 57.97 61.15 3hwn h PHE 39 Cb 0.69 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3hwn h PHE 39 CO 0.00 1.03 -0.45 -0.09 -2.23 0.00 0.00 178.31 176.57 3hwn h ARG 40 N 0.72 0.00 0.00 1.11 2.43 -1.34 0.75 114.38 118.05 3hwn h ARG 40 Ca 0.10 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 3hwn h ARG 40 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3hwn h ARG 40 CO 0.06 0.45 -1.06 -0.22 -1.51 0.00 0.00 179.97 177.70 3hwn h LYS 41 N 0.00 0.00 0.00 0.20 3.64 -1.56 -3.42 116.57 115.43 3hwn h LYS 41 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hwn h LYS 41 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3hwn h LYS 41 CO 0.06 0.84 -0.94 0.25 -2.27 0.00 0.00 179.45 177.39 3hwn n THR 42 N -3.28 0.00 -2.20 1.00 -2.24 -1.02 -5.02 114.28 101.53 3hwn n THR 42 Ca -0.03 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3hwn n THR 42 Cb 0.93 -0.71 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3hwn n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwn n GLY 43 N 3.13 0.15 2.86 3.38 0.00 0.26 -5.03 105.19 109.94 3hwn n GLY 43 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3hwn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwn s ARG 44 N -4.43 1.24 -0.38 1.61 0.52 -1.26 -5.08 118.95 111.17 3hwn s ARG 44 Ca 0.02 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.19 3hwn s ARG 44 Cb -0.01 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.07 3hwn s ARG 44 CO 0.02 -0.62 0.93 -1.17 0.02 0.00 0.00 175.30 174.48 3hwn s LEU 45 N 1.57 3.99 -0.04 2.53 2.96 -1.26 -4.30 118.68 124.13 3hwn s LEU 45 Ca -0.04 0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 3hwn s LEU 45 Cb -0.18 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 3hwn s LEU 45 CO -0.07 -0.89 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.27 3hwn s ILE 46 N 3.52 1.43 0.24 6.68 1.01 -1.26 -5.12 121.20 127.71 3hwn s ILE 46 Ca 0.38 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 3hwn s ILE 46 Cb -0.12 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 3hwn s ILE 46 CO 0.20 0.41 1.13 -0.55 0.00 0.00 0.00 174.94 176.13 3hwn s SER 47 N -0.07 7.21 0.01 3.58 0.15 -1.26 -4.79 113.70 118.53 3hwn s SER 47 Ca -0.01 2.25 0.07 0.00 0.70 0.00 0.00 55.95 58.96 3hwn s SER 47 Cb -0.10 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3hwn s SER 47 CO 0.01 -0.22 -0.22 -0.76 1.20 0.00 0.00 173.24 173.25 3hwn s LEU 48 N -1.02 2.35 -0.32 3.45 1.43 -1.26 -1.11 118.68 122.20 3hwn s LEU 48 Ca 0.47 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3hwn s LEU 48 Cb -0.32 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 3hwn s LEU 48 CO 0.40 0.29 1.44 -0.55 0.23 0.00 0.00 176.35 178.15 3hwn s SER 49 N -1.07 6.45 0.12 2.29 0.15 -0.86 -4.41 113.70 116.36 3hwn s SER 49 Ca 0.12 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.99 3hwn s SER 49 Cb -0.10 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.48 3hwn s SER 49 CO 0.02 -1.27 1.26 -0.33 1.20 0.00 0.00 173.24 174.12 3hwn h GLU 50 N 10.31 0.11 -0.50 5.44 3.07 -1.83 -3.26 114.58 127.91 3hwn h GLU 50 Ca -0.29 -0.18 0.05 0.00 -0.50 0.00 0.00 59.36 58.45 3hwn h GLU 50 Cb 1.12 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 3hwn h GLU 50 CO 1.04 1.05 0.34 0.37 -1.40 0.00 0.00 179.01 180.41 3hwn h GLN 51 N 0.04 0.45 -0.96 2.33 5.75 -1.83 0.21 115.11 121.10 3hwn h GLN 51 Ca -0.05 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3hwn h GLN 51 Cb 1.78 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 30.18 3hwn h GLN 51 CO 0.15 0.30 0.61 -0.97 -2.65 0.00 0.00 178.83 176.27 3hwn h ASN 52 N 0.47 1.13 -0.09 -0.69 -0.73 -1.82 0.82 115.58 114.66 3hwn h ASN 52 Ca 0.21 -0.05 -0.24 0.00 1.87 0.00 0.00 56.30 58.10 3hwn h ASN 52 Cb 0.26 -0.28 0.01 0.00 0.27 0.00 0.00 38.32 38.58 3hwn h ASN 52 CO -0.06 0.84 -0.86 -0.07 -0.37 0.00 0.00 177.43 176.92 3hwn h LEU 53 N 1.31 0.93 0.25 0.34 3.38 -0.82 -1.85 115.31 118.85 3hwn h LEU 53 Ca 0.35 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3hwn h LEU 53 Cb -0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.37 3hwn h LEU 53 CO -0.07 1.45 -0.12 0.58 0.09 0.00 0.00 178.44 180.37 3hwn h VAL 54 N 0.49 0.81 -0.76 1.22 2.07 -0.48 -3.02 116.25 116.58 3hwn h VAL 54 Ca -0.07 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3hwn h VAL 54 Cb 1.49 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3hwn h VAL 54 CO 0.17 0.12 0.49 0.44 0.02 0.00 0.00 177.57 178.81 3hwn h ASP 55 N -0.63 0.84 0.00 0.57 3.32 0.63 -3.37 116.42 117.77 3hwn h ASP 55 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hwn h ASP 55 Cb 0.45 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hwn h ASP 55 CO 0.06 0.60 -0.52 0.00 -1.72 0.00 0.00 179.24 177.65 3hwn n SER 57 N -1.27 2.19 -0.22 0.00 3.41 -1.14 -4.38 113.62 112.21 3hwn n SER 57 Ca 0.01 -2.00 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 3hwn n SER 57 Cb 0.14 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 63.88 3hwn n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hwn h GLY 58 N 5.10 0.37 0.27 5.00 0.00 -1.83 -2.51 103.07 109.48 3hwn h GLY 58 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.70 3hwn h GLY 58 CO 0.00 -0.25 0.27 -2.55 0.00 0.00 0.00 176.54 174.02 3hwn h PRO 59 N -0.03 0.43 0.00 4.80 0.11 -1.89 0.57 132.00 135.99 3hwn h PRO 59 Ca 0.30 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 3hwn h PRO 59 Cb 0.50 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3hwn h PRO 59 CO -0.68 0.29 -0.14 1.96 -0.21 0.00 0.00 178.00 179.22 3hwn h GLN 60 N 0.45 0.00 0.00 1.05 7.50 -1.79 -3.45 115.11 118.86 3hwn h GLN 60 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 3hwn h GLN 60 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 3hwn h GLN 60 CO -0.35 0.14 0.00 0.41 -1.50 0.00 0.00 178.83 177.52 3hwn n GLY 61 N -1.04 0.82 3.92 3.46 0.00 0.19 -4.95 105.19 107.59 3hwn n GLY 61 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3hwn n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hwn s ASN 62 N -0.82 6.24 -0.28 1.61 0.01 -1.09 -4.80 114.94 115.82 3hwn s ASN 62 Ca 0.00 0.70 0.08 0.00 -0.71 0.00 0.00 52.86 52.93 3hwn s ASN 62 Cb 0.00 -2.11 0.45 0.00 0.41 0.00 0.00 41.25 40.00 3hwn s ASN 62 CO 0.00 -0.48 1.25 -0.62 -1.51 0.00 0.00 177.10 175.74 3hwn n GLU 63 N -2.07 2.76 0.00 -0.60 1.02 -0.37 -4.31 120.64 117.08 3hwn n GLU 63 Ca -0.02 -3.78 0.00 0.00 -0.02 0.00 0.00 57.16 53.35 3hwn n GLU 63 Cb 0.56 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3hwn n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hwn n GLY 64 N -0.89 2.04 0.26 0.62 0.00 -1.19 0.26 105.19 106.30 3hwn n GLY 64 Ca 0.35 0.34 0.18 0.00 0.00 0.00 0.00 46.02 46.89 3hwn n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwn n ASN 66 N -2.88 5.98 0.00 0.00 4.13 0.14 -0.19 115.26 122.44 3hwn n ASN 66 Ca -0.00 -3.73 0.00 0.00 1.68 0.00 0.00 54.58 52.53 3hwn n ASN 66 Cb 0.20 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 3hwn n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hwn n GLY 67 N -1.00 1.70 0.00 7.41 0.00 -1.20 -4.80 105.19 107.30 3hwn n GLY 67 Ca 0.60 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3hwn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 68 N 1.24 -1.52 3.11 -0.02 0.00 -1.26 -1.23 105.19 105.50 3hwn n GLY 68 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 3hwn n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwn s LEU 69 N 0.00 2.15 0.30 0.99 1.43 -1.26 -4.87 118.68 117.42 3hwn s LEU 69 Ca 0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3hwn s LEU 69 Cb 0.00 -0.53 0.46 0.00 0.03 0.00 0.00 46.19 46.15 3hwn s LEU 69 CO 0.00 0.03 1.82 0.24 0.23 0.00 0.00 176.35 178.67 3hwn h MET 70 N 5.10 0.68 -0.83 1.70 2.86 -2.00 -2.08 114.93 120.37 3hwn h MET 70 Ca -0.36 -0.16 0.11 0.00 -2.06 0.00 0.00 59.70 57.23 3hwn h MET 70 Cb 1.18 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 3hwn h MET 70 CO 0.45 0.68 0.54 -0.44 1.06 0.00 0.00 176.91 179.20 3hwn h ASP 71 N 0.65 0.67 0.73 1.22 3.32 -1.96 0.90 116.42 121.95 3hwn h ASP 71 Ca 0.14 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 3hwn h ASP 71 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3hwn h ASP 71 CO 0.01 0.38 -0.84 1.88 -1.72 0.00 0.00 179.24 178.96 3hwn h TYR 72 N 0.73 0.10 -0.14 4.55 -1.99 -1.76 0.43 116.97 118.90 3hwn h TYR 72 Ca 0.39 -0.06 -0.20 0.00 2.00 0.00 0.00 58.73 60.87 3hwn h TYR 72 Cb 0.51 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.24 3hwn h TYR 72 CO -0.00 0.87 -0.68 0.00 -0.00 0.00 0.00 178.16 178.35 3hwn h ALA 73 N 1.11 0.27 0.10 3.88 0.00 -0.95 0.35 119.26 124.02 3hwn h ALA 73 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3hwn h ALA 73 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3hwn h ALA 73 CO 0.12 0.58 -0.05 0.74 0.00 0.00 0.00 179.25 180.63 3hwn h PHE 74 N 0.40 -0.13 -0.27 0.00 0.04 -0.71 -2.30 116.94 113.96 3hwn h PHE 74 Ca -0.05 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.76 3hwn h PHE 74 Cb 1.32 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.44 3hwn h PHE 74 CO 0.10 -0.05 -0.48 0.37 -0.60 0.00 0.00 178.31 177.64 3hwn h GLN 75 N -0.17 -0.39 -0.26 1.51 5.75 -0.08 -2.91 115.11 118.57 3hwn h GLN 75 Ca -0.01 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3hwn h GLN 75 Cb 0.13 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3hwn h GLN 75 CO 0.02 -0.26 -0.26 -0.92 -2.65 0.00 0.00 178.83 174.77 3hwn h TYR 76 N -0.40 -0.79 -0.94 3.99 3.20 -0.26 -1.67 116.97 120.08 3hwn h TYR 76 Ca 0.05 0.04 0.20 0.00 3.14 0.00 0.00 58.73 62.16 3hwn h TYR 76 Cb 0.54 0.38 -0.18 0.00 1.54 0.00 0.00 36.73 39.02 3hwn h TYR 76 CO -0.66 -0.21 -0.21 0.28 -1.64 0.00 0.00 178.16 175.73 3hwn n VAL 77 N -3.94 -0.40 -0.13 1.81 0.31 -0.87 -0.49 118.33 114.63 3hwn n VAL 77 Ca -0.01 2.15 -0.10 0.00 -0.01 0.00 0.00 64.34 66.37 3hwn n VAL 77 Cb 0.14 -3.00 -0.02 0.00 -0.91 0.00 0.00 33.84 30.05 3hwn n VAL 77 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3hwn h GLN 78 N 0.00 0.64 0.00 5.55 4.15 -1.20 -1.66 115.11 122.59 3hwn h GLN 78 Ca 0.47 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 3hwn h GLN 78 Cb 0.75 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 3hwn h GLN 78 CO -0.96 0.73 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.10 3hwn h ASP 79 N 0.46 0.00 0.39 -0.69 5.19 0.05 -2.88 116.42 118.95 3hwn h ASP 79 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3hwn h ASP 79 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3hwn h ASP 79 CO 0.01 0.13 -0.81 -3.20 -3.12 0.00 0.00 179.24 172.25 3hwn n ASN 80 N -3.37 0.65 -0.30 6.45 5.15 0.36 -4.96 115.26 119.24 3hwn n ASN 80 Ca -0.01 -0.36 -0.04 0.00 -0.60 0.00 0.00 54.58 53.57 3hwn n ASN 80 Cb 0.32 0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 40.16 3hwn n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwn n GLY 81 N 1.44 0.63 0.00 8.20 0.00 -0.68 -4.94 105.19 109.85 3hwn n GLY 81 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3hwn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 82 N -1.63 -0.29 3.04 -0.02 0.00 -0.83 -4.92 105.19 100.53 3hwn n GLY 82 Ca -0.04 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 3hwn n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwn s LEU 83 N 0.00 2.30 0.38 0.99 2.96 -0.88 -4.61 118.68 119.82 3hwn s LEU 83 Ca 0.00 -0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3hwn s LEU 83 Cb 0.00 0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 3hwn s LEU 83 CO 0.00 -0.44 0.60 -1.81 -1.32 0.00 0.00 176.35 173.37 3hwn s ASP 84 N -2.13 6.19 0.49 3.68 1.11 -1.26 0.23 116.67 124.98 3hwn s ASP 84 Ca -0.05 0.45 -0.12 0.00 0.18 0.00 0.00 52.55 53.02 3hwn s ASP 84 Cb -0.02 -1.94 -0.06 0.00 1.07 0.00 0.00 42.92 41.98 3hwn s ASP 84 CO -0.05 -0.41 0.89 -0.94 1.18 0.00 0.00 175.17 175.84 3hwn s SER 85 N -4.08 6.45 0.35 0.27 1.04 -1.12 -2.03 113.70 114.57 3hwn s SER 85 Ca 0.42 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.20 3hwn s SER 85 Cb -0.10 -2.39 0.73 0.00 0.10 0.00 0.00 66.02 64.36 3hwn s SER 85 CO 0.37 -0.58 1.92 -0.08 0.98 0.00 0.00 173.24 175.86 3hwn h GLU 86 N 0.68 0.76 -0.23 4.02 4.57 -1.32 -2.01 114.58 121.04 3hwn h GLU 86 Ca -0.46 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 3hwn h GLU 86 Cb 1.19 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3hwn h GLU 86 CO 0.62 0.50 -0.24 1.49 -1.18 0.00 0.00 179.01 180.21 3hwn h GLU 87 N 0.78 0.57 -0.16 1.92 4.22 -1.94 -2.32 114.58 117.66 3hwn h GLU 87 Ca 0.37 -0.30 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 3hwn h GLU 87 Cb 0.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3hwn h GLU 87 CO -0.14 0.90 -0.42 0.66 -2.18 0.00 0.00 179.01 177.83 3hwn h SER 88 N 0.27 0.38 -2.10 1.04 4.64 -1.86 -3.37 113.55 112.55 3hwn h SER 88 Ca 0.04 -0.16 -0.57 0.00 -0.47 0.00 0.00 61.79 60.62 3hwn h SER 88 Cb 0.80 -0.11 -0.40 0.00 -0.31 0.00 0.00 62.40 62.38 3hwn h SER 88 CO 0.06 0.76 -0.96 0.00 -0.87 0.00 0.00 176.83 175.81 3hwn n TYR 89 N -4.02 0.65 -1.06 4.77 4.19 -0.78 -5.02 117.16 115.90 3hwn n TYR 89 Ca -0.02 -3.71 -0.29 0.00 3.31 0.00 0.00 57.90 57.20 3hwn n TYR 89 Cb 0.50 -0.37 0.17 0.00 0.49 0.00 0.00 39.34 40.13 3hwn n TYR 89 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3hwn s PRO 90 N -1.42 0.60 -0.06 2.98 0.04 -0.88 -4.57 135.00 131.69 3hwn s PRO 90 Ca 0.36 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 3hwn s PRO 90 Cb 0.15 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 3hwn s PRO 90 CO -0.09 -2.68 0.61 -0.47 0.04 0.00 0.00 177.00 174.41 3hwn s TYR 91 N -2.85 3.60 -0.70 0.56 5.04 -1.26 -4.68 117.35 117.06 3hwn s TYR 91 Ca 0.65 1.14 0.06 0.00 -2.44 0.00 0.00 57.07 56.48 3hwn s TYR 91 Cb -0.20 -2.67 0.06 0.00 0.35 0.00 0.00 41.96 39.50 3hwn s TYR 91 CO 0.58 0.21 0.73 0.39 -1.34 0.00 0.00 175.55 176.12 3hwn n GLU 92 N 3.36 0.10 -4.36 4.97 1.02 -1.26 -5.01 120.64 119.46 3hwn n GLU 92 Ca -0.05 -0.94 -0.39 0.00 -0.02 0.00 0.00 57.16 55.77 3hwn n GLU 92 Cb 0.51 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 3hwn n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hwn n ALA 93 N 0.30 -1.29 -3.53 0.62 0.00 -1.26 -4.90 120.51 110.45 3hwn n ALA 93 Ca 0.04 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 3hwn n ALA 93 Cb 0.16 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 3hwn n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hwn s THR 94 N -3.34 0.00 -1.17 0.00 -1.32 -1.26 -4.45 115.64 104.10 3hwn s THR 94 Ca 0.65 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.02 3hwn s THR 94 Cb -0.38 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.83 3hwn s THR 94 CO 0.97 0.00 1.29 -0.70 -2.21 0.00 0.00 174.62 173.97 3hwn s GLU 95 N -1.72 4.15 0.45 7.08 2.12 -1.26 -4.89 118.70 124.62 3hwn s GLU 95 Ca -0.04 -2.89 -0.01 0.00 0.36 0.00 0.00 54.97 52.40 3hwn s GLU 95 Cb -0.00 -4.83 0.09 0.00 0.26 0.00 0.00 34.13 29.65 3hwn s GLU 95 CO 0.01 -1.52 0.61 0.39 -0.54 0.00 0.00 175.26 174.22 3hwn n GLU 96 N 4.26 0.14 -2.27 4.30 -0.58 -1.26 -5.05 120.64 120.18 3hwn n GLU 96 Ca 0.31 -1.63 -0.33 0.00 -0.42 0.00 0.00 57.16 55.09 3hwn n GLU 96 Cb 0.41 -0.42 -0.01 0.00 -0.57 0.00 0.00 31.44 30.85 3hwn n GLU 96 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3hwn s SER 97 N -3.49 6.12 0.02 1.62 0.01 -1.26 -4.57 113.70 112.15 3hwn s SER 97 Ca 0.40 1.80 -0.33 0.00 1.31 0.00 0.00 55.95 59.13 3hwn s SER 97 Cb -0.02 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 3hwn s SER 97 CO 0.27 -0.93 1.79 0.00 0.41 0.00 0.00 173.24 174.78 3hwn n LYS 99 N 5.63 1.86 -1.74 0.00 5.02 -1.26 -5.05 118.16 122.63 3hwn n LYS 99 Ca 0.20 -3.36 -0.41 0.00 -2.02 0.00 0.00 58.31 52.73 3hwn n LYS 99 Cb 0.31 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3hwn n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hwn n TYR 100 N -0.82 2.53 -3.65 2.13 9.36 -1.26 -5.03 117.16 120.41 3hwn n TYR 100 Ca 0.22 0.48 -0.20 0.00 3.32 0.00 0.00 57.90 61.72 3hwn n TYR 100 Cb 0.81 -2.45 -0.17 0.00 -0.63 0.00 0.00 39.34 36.90 3hwn n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hwn s ASN 101 N -0.37 1.28 0.00 2.98 3.84 -1.26 -5.04 114.94 116.37 3hwn s ASN 101 Ca 0.58 -0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.65 3hwn s ASN 101 Cb -0.50 -0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 3hwn s ASN 101 CO 0.60 -0.27 0.84 -0.81 -2.79 0.00 0.00 177.10 174.67 3hwn n PRO 102 N 5.30 0.00 0.11 0.43 -0.04 -1.26 -3.16 135.00 136.38 3hwn n PRO 102 Ca -0.04 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.57 3hwn n PRO 102 Cb 0.50 -1.51 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 3hwn n PRO 102 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hwn h LYS 103 N 0.00 0.43 -0.69 0.54 3.64 -1.99 -3.28 116.57 115.23 3hwn h LYS 103 Ca 0.00 -0.67 -0.20 0.00 -1.27 0.00 0.00 60.65 58.51 3hwn h LYS 103 Cb 0.02 0.24 -0.12 0.00 -0.41 0.00 0.00 32.23 31.96 3hwn h LYS 103 CO 0.00 1.30 0.23 0.66 -2.27 0.00 0.00 179.45 179.38 3hwn n TYR 104 N -3.66 2.28 -2.50 1.91 4.01 -1.19 -4.96 117.16 113.04 3hwn n TYR 104 Ca -0.12 -1.21 -0.42 0.00 -0.16 0.00 0.00 57.90 55.99 3hwn n TYR 104 Cb 1.02 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 3hwn n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hwn s SER 105 N -1.20 7.16 -0.01 7.72 0.15 -1.24 -2.81 113.70 123.48 3hwn s SER 105 Ca 0.54 1.92 0.01 0.00 0.70 0.00 0.00 55.95 59.12 3hwn s SER 105 Cb 0.43 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 3hwn s SER 105 CO 0.12 -0.41 0.89 1.33 1.20 0.00 0.00 173.24 176.38 3hwn n VAL 106 N 3.90 0.80 -3.68 4.45 0.24 0.14 -4.92 118.33 119.26 3hwn n VAL 106 Ca 0.08 -0.83 -0.08 0.00 -2.04 0.00 0.00 64.34 61.46 3hwn n VAL 106 Cb 0.48 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 3hwn n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hwn s ALA 107 N -0.88 -1.42 0.38 2.33 0.00 -1.23 -4.99 121.76 115.96 3hwn s ALA 107 Ca 0.02 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 3hwn s ALA 107 Cb 0.02 0.82 0.05 0.00 0.00 0.00 0.00 23.12 24.02 3hwn s ALA 107 CO 0.00 -0.93 0.77 1.21 0.00 0.00 0.00 175.76 176.81 3hwn s ASN 108 N -2.84 0.06 0.07 0.00 2.47 -1.26 -2.08 114.94 111.36 3hwn s ASN 108 Ca 0.07 -1.17 -0.24 0.00 0.42 0.00 0.00 52.86 51.94 3hwn s ASN 108 Cb -0.04 0.84 0.06 0.00 -1.45 0.00 0.00 41.25 40.67 3hwn s ASN 108 CO -0.01 -1.67 0.58 1.51 -3.72 0.00 0.00 177.10 173.80 3hwn s ASP 109 N -3.08 -0.53 -0.33 -4.21 1.47 -1.26 -4.69 116.67 104.04 3hwn s ASP 109 Ca 0.16 0.22 -0.01 0.00 1.18 0.00 0.00 52.55 54.11 3hwn s ASP 109 Cb -0.05 0.54 0.25 0.00 -0.34 0.00 0.00 42.92 43.32 3hwn s ASP 109 CO 0.12 -0.80 1.95 0.00 0.68 0.00 0.00 175.17 177.13 3hwn n ALA 110 N 0.20 5.08 0.00 2.11 0.00 0.31 -4.30 120.51 123.90 3hwn n ALA 110 Ca -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.49 3hwn n ALA 110 Cb 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3hwn n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwn n GLY 111 N 0.17 -0.31 3.28 0.00 0.00 -1.26 -4.82 105.19 102.25 3hwn n GLY 111 Ca 0.33 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3hwn n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwn s PHE 112 N 0.00 0.91 -0.07 1.61 -0.71 -1.26 -1.72 117.98 116.74 3hwn s PHE 112 Ca 0.00 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.73 3hwn s PHE 112 Cb 0.00 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.46 3hwn s PHE 112 CO 0.00 -0.70 -0.13 0.08 -1.34 0.00 0.00 175.22 173.13 3hwn s VAL 113 N -4.10 1.18 -0.07 -2.49 1.01 -0.78 -4.88 120.40 110.26 3hwn s VAL 113 Ca 0.32 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3hwn s VAL 113 Cb 0.05 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3hwn s VAL 113 CO 0.09 0.37 0.39 -1.81 0.00 0.00 0.00 175.10 174.14 3hwn s ASP 114 N 0.70 6.67 0.07 3.32 1.01 -1.26 -1.70 116.67 125.49 3hwn s ASP 114 Ca -0.14 0.80 -0.18 0.00 0.71 0.00 0.00 52.55 53.74 3hwn s ASP 114 Cb -0.16 -2.24 -0.07 0.00 1.01 0.00 0.00 42.92 41.47 3hwn s ASP 114 CO 0.03 0.19 0.55 -0.63 0.21 0.00 0.00 175.17 175.52 3hwn s ILE 115 N -0.25 4.79 0.92 0.77 1.01 -0.20 -4.97 121.20 123.25 3hwn s ILE 115 Ca 0.22 1.12 -0.15 0.00 0.00 0.00 0.00 60.65 61.85 3hwn s ILE 115 Cb -0.15 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3hwn s ILE 115 CO 0.10 0.52 0.07 -2.65 0.00 0.00 0.00 174.94 172.97 3hwn n PRO 116 N 1.61 -0.11 -1.12 2.79 -0.02 -1.26 -4.63 135.00 132.26 3hwn n PRO 116 Ca -0.10 -0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.12 3hwn n PRO 116 Cb 0.51 -1.58 0.06 0.00 -0.02 0.00 0.00 33.50 32.46 3hwn n PRO 116 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hwn n LYS 117 N -0.28 2.24 -4.28 -0.52 4.81 -1.26 -4.73 118.16 114.14 3hwn n LYS 117 Ca 0.05 -2.41 -0.23 0.00 -0.87 0.00 0.00 58.31 54.86 3hwn n LYS 117 Cb 0.53 -1.95 -0.12 0.00 0.02 0.00 0.00 35.03 33.51 3hwn n LYS 117 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwn s GLN 118 N -2.78 1.06 0.61 1.64 1.11 -1.26 -4.83 119.66 115.22 3hwn s GLN 118 Ca 0.48 -1.09 0.37 0.00 0.01 0.00 0.00 55.36 55.13 3hwn s GLN 118 Cb 0.37 -1.25 2.02 0.00 -1.01 0.00 0.00 33.01 33.14 3hwn s GLN 118 CO -0.02 0.29 2.26 0.93 0.01 0.00 0.00 175.29 178.76 3hwn h GLU 119 N 4.20 0.00 0.10 2.91 5.08 -1.90 -3.20 114.58 121.76 3hwn h GLU 119 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3hwn h GLU 119 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hwn h GLU 119 CO 0.40 0.02 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.16 3hwn h LYS 120 N 0.00 -0.12 -0.38 2.33 1.63 -1.96 -2.45 116.57 115.62 3hwn h LYS 120 Ca -0.00 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 3hwn h LYS 120 Cb 0.11 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 3hwn h LYS 120 CO 0.00 0.16 0.01 0.00 -3.45 0.00 0.00 179.45 176.17 3hwn h ALA 121 N 0.46 0.35 -0.85 5.00 0.00 -1.89 -1.86 119.26 120.48 3hwn h ALA 121 Ca -0.01 0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.20 3hwn h ALA 121 Cb 0.34 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 3hwn h ALA 121 CO 0.02 -0.39 0.33 1.25 0.00 0.00 0.00 179.25 180.46 3hwn h LEU 122 N 0.11 0.24 -0.17 0.00 5.85 -1.61 0.39 115.31 120.12 3hwn h LEU 122 Ca 0.19 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3hwn h LEU 122 Cb 0.26 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hwn h LEU 122 CO -0.31 -0.00 0.10 -0.03 -0.34 0.00 0.00 178.44 177.86 3hwn h MET 123 N 0.37 0.23 0.00 1.25 4.05 -0.84 0.51 114.93 120.51 3hwn h MET 123 Ca 0.51 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.73 3hwn h MET 123 Cb 0.94 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 3hwn h MET 123 CO -0.52 0.21 -0.89 1.57 0.23 0.00 0.00 176.91 177.51 3hwn h LYS 124 N 0.19 0.00 0.19 0.39 2.10 -1.40 -1.71 116.57 116.34 3hwn h LYS 124 Ca 0.06 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 3hwn h LYS 124 Cb 0.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 3hwn h LYS 124 CO -0.01 0.83 -0.24 0.00 -2.00 0.00 0.00 179.45 178.03 3hwn h ALA 125 N 1.15 -0.46 0.00 0.07 0.00 0.01 -2.01 119.26 118.01 3hwn h ALA 125 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hwn h ALA 125 Cb 1.67 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 3hwn h ALA 125 CO 0.11 -0.80 -0.06 0.28 0.00 0.00 0.00 179.25 178.78 3hwn h VAL 126 N -0.49 0.89 0.00 0.00 2.07 0.03 -2.59 116.25 116.15 3hwn h VAL 126 Ca 0.01 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3hwn h VAL 126 Cb 0.48 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3hwn h VAL 126 CO -0.09 0.06 -0.47 0.00 0.02 0.00 0.00 177.57 177.09 3hwn h ALA 127 N 1.94 0.93 -0.00 1.67 0.00 -0.60 -3.38 119.26 119.83 3hwn h ALA 127 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hwn h ALA 127 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hwn h ALA 127 CO 0.01 0.58 -0.10 0.25 0.00 0.00 0.00 179.25 179.99 3hwn n THR 128 N -3.54 0.00 -0.04 0.00 -2.24 -0.93 -4.81 114.28 102.71 3hwn n THR 128 Ca -0.00 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 3hwn n THR 128 Cb 0.57 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 3hwn n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hwn n VAL 129 N -1.03 0.55 0.00 2.28 0.31 -1.08 -5.12 118.33 114.25 3hwn n VAL 129 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3hwn n VAL 129 Cb 0.03 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 3hwn n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hwn n GLY 130 N 2.66 0.06 3.57 2.92 0.00 -1.26 -4.79 105.19 108.35 3hwn n GLY 130 Ca -0.14 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.23 3hwn n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hwn n PRO 131 N -0.32 0.44 -4.31 1.61 -0.02 -1.26 -4.66 135.00 126.48 3hwn n PRO 131 Ca 0.00 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 3hwn n PRO 131 Cb 0.00 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 3hwn n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hwn s ILE 132 N -1.85 0.65 0.06 4.25 -1.09 -0.23 -4.67 121.20 118.32 3hwn s ILE 132 Ca 0.71 -0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 3hwn s ILE 132 Cb -0.35 -0.57 -0.05 0.00 -1.58 0.00 0.00 42.46 39.91 3hwn s ILE 132 CO 0.53 0.20 1.10 -0.44 -1.23 0.00 0.00 174.94 175.10 3hwn s SER 133 N 0.06 7.22 0.00 3.58 0.01 -0.55 -0.66 113.70 123.37 3hwn s SER 133 Ca -0.01 1.90 -0.05 0.00 1.31 0.00 0.00 55.95 59.10 3hwn s SER 133 Cb -0.06 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 3hwn s SER 133 CO -0.00 -0.34 0.09 0.68 0.41 0.00 0.00 173.24 174.08 3hwn s VAL 134 N 0.79 0.08 -0.03 3.43 -7.23 -0.99 -1.44 120.40 115.02 3hwn s VAL 134 Ca 0.54 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 3hwn s VAL 134 Cb -0.26 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 3hwn s VAL 134 CO 0.30 -0.38 0.09 0.00 -0.31 0.00 0.00 175.10 174.79 3hwn s ALA 135 N -1.29 3.62 0.19 1.32 0.00 -1.12 -1.17 121.76 123.30 3hwn s ALA 135 Ca -0.14 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3hwn s ALA 135 Cb -0.08 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 3hwn s ALA 135 CO 0.01 0.67 0.02 0.96 0.00 0.00 0.00 175.76 177.42 3hwn s ILE 136 N -1.14 0.65 -0.57 0.00 -4.36 -0.48 -4.19 121.20 111.13 3hwn s ILE 136 Ca 0.21 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.40 3hwn s ILE 136 Cb -0.12 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.46 3hwn s ILE 136 CO 0.11 -0.40 0.80 -0.62 0.24 0.00 0.00 174.94 175.07 3hwn s ASP 137 N -3.19 6.23 -0.06 4.36 2.15 -0.59 -2.49 116.67 123.08 3hwn s ASP 137 Ca 0.26 -0.87 0.14 0.00 0.43 0.00 0.00 52.55 52.51 3hwn s ASP 137 Cb 0.06 -2.36 0.45 0.00 -0.30 0.00 0.00 42.92 40.77 3hwn s ASP 137 CO 0.05 -1.14 1.37 0.00 -0.17 0.00 0.00 175.17 175.29 3hwn n ALA 138 N 6.88 2.52 -1.71 3.66 0.00 -1.26 -4.82 120.51 125.79 3hwn n ALA 138 Ca -0.04 -1.50 -0.34 0.00 0.00 0.00 0.00 53.44 51.56 3hwn n ALA 138 Cb 0.45 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 3hwn n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwn n GLY 139 N 0.44 4.71 3.11 0.00 0.00 -1.26 -4.75 105.19 107.44 3hwn n GLY 139 Ca 0.17 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3hwn n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwn s HIS 140 N -0.96 -0.27 0.48 1.61 3.76 -1.26 -5.05 115.29 113.60 3hwn s HIS 140 Ca 0.58 0.65 0.26 0.00 -0.15 0.00 0.00 55.06 56.40 3hwn s HIS 140 Cb 0.26 0.08 1.51 0.00 1.11 0.00 0.00 32.58 35.54 3hwn s HIS 140 CO -0.13 -0.14 2.12 1.05 -0.85 0.00 0.00 174.74 176.80 3hwn h GLU 141 N 5.94 0.00 0.03 1.40 4.11 -2.01 -1.98 114.58 122.07 3hwn h GLU 141 Ca -0.27 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.17 3hwn h GLU 141 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3hwn h GLU 141 CO 0.36 0.09 -0.53 0.66 0.07 0.00 0.00 179.01 179.66 3hwn h SER 142 N 0.00 -1.63 -0.52 3.06 4.64 -1.96 -2.67 113.55 114.46 3hwn h SER 142 Ca -0.00 0.18 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3hwn h SER 142 Cb 0.21 0.61 -0.09 0.00 -0.31 0.00 0.00 62.40 62.83 3hwn h SER 142 CO 0.01 -0.53 0.00 0.15 -0.87 0.00 0.00 176.83 175.60 3hwn h PHE 143 N -0.68 -0.03 -1.03 4.77 3.04 -1.68 0.31 116.94 121.64 3hwn h PHE 143 Ca 0.01 0.04 0.26 0.00 3.98 0.00 0.00 57.97 62.26 3hwn h PHE 143 Cb 0.72 0.09 -0.11 0.00 2.56 0.00 0.00 35.95 39.21 3hwn h PHE 143 CO -0.50 -0.12 0.63 -0.07 -2.02 0.00 0.00 178.31 176.23 3hwn h LEU 144 N 0.12 0.57 -2.55 0.59 3.38 -1.51 -2.11 115.31 113.79 3hwn h LEU 144 Ca 0.27 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3hwn h LEU 144 Cb 0.41 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hwn h LEU 144 CO -0.44 0.09 0.00 0.49 0.09 0.00 0.00 178.44 178.67 3hwn n PHE 145 N -4.77 0.86 -1.63 1.13 3.72 0.91 -4.98 117.46 112.70 3hwn n PHE 145 Ca 0.27 -0.43 -0.48 0.00 -0.05 0.00 0.00 57.45 56.76 3hwn n PHE 145 Cb 0.82 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.32 3hwn n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hwn n TYR 146 N 1.56 1.82 0.01 1.38 9.36 -0.21 -4.88 117.16 126.21 3hwn n TYR 146 Ca 0.23 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.95 3hwn n TYR 146 Cb 0.60 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3hwn n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hwn n LYS 147 N 2.53 0.00 -3.72 2.98 4.01 -1.26 -2.57 118.16 120.13 3hwn n LYS 147 Ca 0.16 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.88 3hwn n LYS 147 Cb 0.25 -0.49 -0.02 0.00 -0.51 0.00 0.00 35.03 34.26 3hwn n LYS 147 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hwn s GLU 148 N -2.00 1.56 0.00 1.97 -1.05 -1.26 -2.18 118.70 115.73 3hwn s GLU 148 Ca 0.00 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 3hwn s GLU 148 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 3hwn s GLU 148 CO 0.00 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 175.91 3hwn n GLY 149 N -0.43 -3.65 3.50 -3.83 0.00 -1.26 -4.81 105.19 94.70 3hwn n GLY 149 Ca -0.08 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 3hwn n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwn s ILE 150 N -0.83 4.44 -0.14 -0.61 1.01 -1.26 -4.19 121.20 119.62 3hwn s ILE 150 Ca 0.00 -1.52 -0.34 0.00 0.00 0.00 0.00 60.65 58.79 3hwn s ILE 150 Cb 0.00 -4.94 -0.11 0.00 0.01 0.00 0.00 42.46 37.41 3hwn s ILE 150 CO 0.00 -1.73 1.94 0.00 0.00 0.00 0.00 174.94 175.15 3hwn n TYR 151 N 7.40 2.21 -4.23 3.97 9.36 -0.98 -4.78 117.16 130.10 3hwn n TYR 151 Ca 0.32 0.04 -0.19 0.00 3.32 0.00 0.00 57.90 61.39 3hwn n TYR 151 Cb 0.48 -2.65 -0.11 0.00 -0.63 0.00 0.00 39.34 36.43 3hwn n TYR 151 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 3hwn s PHE 152 N 4.80 1.40 -0.36 2.98 5.36 -1.26 -2.50 117.98 128.40 3hwn s PHE 152 Ca 0.96 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 56.43 3hwn s PHE 152 Cb -0.70 -0.75 0.15 0.00 -0.34 0.00 0.00 43.02 41.39 3hwn s PHE 152 CO 0.51 0.14 0.34 -2.00 -1.46 0.00 0.00 175.22 172.74 3hwn s GLU 153 N -2.43 0.61 0.55 10.12 2.56 -1.26 -5.03 118.70 123.82 3hwn s GLU 153 Ca 0.07 -0.94 0.49 0.00 0.00 0.00 0.00 54.97 54.58 3hwn s GLU 153 Cb -0.06 -0.85 1.72 0.00 2.00 0.00 0.00 34.13 36.94 3hwn s GLU 153 CO 0.03 -1.19 1.60 -1.35 -0.56 0.00 0.00 175.26 173.78 3hwn h PRO 154 N 7.09 0.00 -0.14 4.30 0.11 -2.05 0.96 132.00 142.27 3hwn h PRO 154 Ca 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hwn h PRO 154 Cb 1.04 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hwn h PRO 154 CO 0.22 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.54 3hwn n ASP 155 N -3.98 2.66 -4.63 -2.05 2.03 -1.26 -5.00 116.55 104.32 3hwn n ASP 155 Ca 0.43 -1.78 -0.44 0.00 0.52 0.00 0.00 54.79 53.51 3hwn n ASP 155 Cb 1.94 -0.08 -0.04 0.00 -0.72 0.00 0.00 41.12 42.22 3hwn n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwn s SER 157 N 5.89 6.79 0.17 0.00 0.15 -1.26 -4.52 113.70 120.93 3hwn s SER 157 Ca 0.95 2.31 0.23 0.00 0.70 0.00 0.00 55.95 60.14 3hwn s SER 157 Cb -0.48 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 61.41 3hwn s SER 157 CO 0.42 -0.48 1.22 0.28 1.20 0.00 0.00 173.24 175.88 3hwn h SER 158 N 3.02 0.00 -0.00 5.45 0.02 -1.89 -3.25 113.55 116.89 3hwn h SER 158 Ca -0.48 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3hwn h SER 158 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hwn h SER 158 CO 0.64 0.06 -0.03 -0.62 -1.14 0.00 0.00 176.83 175.74 3hwn n GLU 159 N -2.39 1.49 -4.02 3.45 -0.58 -1.26 -3.72 120.64 113.61 3hwn n GLU 159 Ca 0.02 -0.45 -0.31 0.00 -0.42 0.00 0.00 57.16 56.00 3hwn n GLU 159 Cb 0.49 -0.91 -0.16 0.00 -0.57 0.00 0.00 31.44 30.28 3hwn n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hwn s ASP 160 N -0.53 3.22 0.01 1.62 1.01 -1.26 -5.12 116.67 115.63 3hwn s ASP 160 Ca 0.02 -0.78 0.01 0.00 0.71 0.00 0.00 52.55 52.52 3hwn s ASP 160 Cb 0.02 -1.26 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 3hwn s ASP 160 CO 0.05 -0.11 -0.05 -0.04 0.21 0.00 0.00 175.17 175.23 3hwn s MET 161 N 1.40 0.39 0.00 8.23 -1.94 -1.26 -4.33 119.30 121.78 3hwn s MET 161 Ca 0.01 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3hwn s MET 161 Cb -0.15 -0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.41 3hwn s MET 161 CO -0.09 0.07 0.51 -0.40 -0.01 0.00 0.00 175.02 175.09 3hwn n ASP 162 N 2.43 0.72 -3.55 3.03 5.75 -1.04 -4.96 116.55 118.94 3hwn n ASP 162 Ca -0.16 -1.25 -0.13 0.00 -0.01 0.00 0.00 54.79 53.23 3hwn n ASP 162 Cb 0.57 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.55 3hwn n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3hwn s HIS 163 N -0.25 -0.51 -0.34 2.11 5.04 -1.14 -4.96 115.29 115.23 3hwn s HIS 163 Ca 0.00 0.80 -0.19 0.00 -1.54 0.00 0.00 55.06 54.13 3hwn s HIS 163 Cb 0.00 -0.07 -0.00 0.00 0.04 0.00 0.00 32.58 32.54 3hwn s HIS 163 CO 0.00 -0.52 0.58 0.20 -2.34 0.00 0.00 174.74 172.66 3hwn s GLY 164 N 2.44 1.79 0.00 1.59 0.00 -1.26 -1.38 107.32 110.51 3hwn s GLY 164 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3hwn s GLY 164 CO -0.12 1.37 0.00 3.33 0.00 0.00 0.00 173.10 177.69 3hwn n VAL 165 N 5.45 0.00 -3.97 1.40 0.24 -0.32 -4.35 118.33 116.78 3hwn n VAL 165 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 3hwn n VAL 165 Cb 0.49 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.69 3hwn n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hwn s LEU 166 N 0.00 1.14 -0.48 1.34 2.96 -0.71 -2.35 118.68 120.58 3hwn s LEU 166 Ca 0.00 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.38 3hwn s LEU 166 Cb 0.00 -0.74 0.03 0.00 0.50 0.00 0.00 46.19 45.98 3hwn s LEU 166 CO 0.00 -0.11 1.05 -0.69 -1.32 0.00 0.00 176.35 175.28 3hwn s VAL 167 N 1.59 4.30 -0.97 1.68 1.01 0.16 -0.41 120.40 127.76 3hwn s VAL 167 Ca 0.02 0.97 0.21 0.00 0.00 0.00 0.00 61.98 63.18 3hwn s VAL 167 Cb -0.13 -4.55 -0.22 0.00 0.00 0.00 0.00 36.38 31.48 3hwn s VAL 167 CO -0.06 -0.98 0.91 1.33 0.00 0.00 0.00 175.10 176.30 3hwn n VAL 168 N 6.65 0.00 -3.22 2.92 0.24 0.15 -1.07 118.33 124.00 3hwn n VAL 168 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3hwn n VAL 168 Cb 0.49 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3hwn n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hwn n GLY 169 N 1.49 -0.84 3.41 7.63 0.00 -1.00 -2.71 105.19 113.17 3hwn n GLY 169 Ca 0.04 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3hwn n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hwn s TYR 170 N -3.00 0.85 0.00 1.61 -0.85 -0.85 0.19 117.35 115.30 3hwn s TYR 170 Ca 0.00 -1.12 0.00 0.00 -0.52 0.00 0.00 57.07 55.43 3hwn s TYR 170 Cb 0.00 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.16 3hwn s TYR 170 CO 0.00 -0.89 0.00 0.41 -1.52 0.00 0.00 175.55 173.55 3hwn n GLY 171 N -0.39 3.36 3.30 5.49 0.00 0.11 -2.01 105.19 115.05 3hwn n GLY 171 Ca 0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3hwn n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwn s PHE 172 N -4.04 -0.50 0.01 1.61 -0.71 -1.26 -2.65 117.98 110.43 3hwn s PHE 172 Ca 0.00 1.18 0.00 0.00 -1.04 0.00 0.00 56.93 57.07 3hwn s PHE 172 Cb 0.00 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 3hwn s PHE 172 CO 0.00 -0.26 0.00 0.39 -1.34 0.00 0.00 175.22 174.01 3hwn n GLU 173 N 3.27 0.00 -0.04 1.99 1.02 -1.26 -5.01 120.64 120.61 3hwn n GLU 173 Ca -0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.93 3hwn n GLU 173 Cb 0.57 -0.38 -0.02 0.00 -0.02 0.00 0.00 31.44 31.59 3hwn n GLU 173 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hwn n ASN 180 N -2.91 1.13 -4.90 1.62 2.04 -1.26 -5.19 115.26 105.79 3hwn n ASN 180 Ca 0.00 0.19 -0.28 0.00 -0.44 0.00 0.00 54.58 54.04 3hwn n ASN 180 Cb 0.36 -0.56 -0.02 0.00 -2.53 0.00 0.00 39.78 37.03 3hwn n ASN 180 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3hwn s LYS 181 N -2.10 3.64 -0.03 -3.83 1.02 -1.26 -5.03 119.74 112.14 3hwn s LYS 181 Ca -0.15 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 3hwn s LYS 181 Cb 0.02 -2.46 0.07 0.00 -0.52 0.00 0.00 37.83 34.94 3hwn s LYS 181 CO 0.22 -0.03 0.66 1.52 -0.92 0.00 0.00 175.35 176.79 3hwn s TYR 182 N -2.45 -0.63 -0.14 3.18 -0.85 -1.08 -2.62 117.35 112.76 3hwn s TYR 182 Ca 0.47 1.03 -0.09 0.00 -0.52 0.00 0.00 57.07 57.96 3hwn s TYR 182 Cb -0.10 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 3hwn s TYR 182 CO 0.37 -0.62 0.18 -1.58 -1.52 0.00 0.00 175.55 172.38 3hwn s TRP 183 N -1.39 3.54 -0.29 -3.49 0.52 -0.21 -0.72 118.94 116.90 3hwn s TRP 183 Ca -0.10 0.52 -0.29 0.00 0.02 0.00 0.00 56.10 56.25 3hwn s TRP 183 Cb -0.00 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 3hwn s TRP 183 CO 0.08 0.53 1.05 -1.17 0.02 0.00 0.00 176.95 177.46 3hwn s LEU 184 N -0.43 4.00 -0.13 2.99 2.96 0.49 -1.28 118.68 127.28 3hwn s LEU 184 Ca 0.14 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 55.20 3hwn s LEU 184 Cb -0.12 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.07 3hwn s LEU 184 CO 0.03 -0.80 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.47 3hwn s VAL 185 N 3.47 1.25 -0.01 1.68 1.01 0.02 0.32 120.40 128.15 3hwn s VAL 185 Ca 0.44 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 3hwn s VAL 185 Cb -0.13 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3hwn s VAL 185 CO 0.12 0.38 0.74 -0.75 0.00 0.00 0.00 175.10 175.59 3hwn s LYS 186 N 1.61 4.46 0.00 2.72 2.20 0.45 0.80 119.74 131.99 3hwn s LYS 186 Ca 0.05 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 3hwn s LYS 186 Cb -0.13 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3hwn s LYS 186 CO -0.09 0.18 0.00 -1.71 -0.36 0.00 0.00 175.35 173.37 3hwn n ASN 187 N 3.27 0.00 -2.71 1.43 5.15 -0.96 -1.74 115.26 119.70 3hwn n ASN 187 Ca -0.02 -0.31 -0.06 0.00 -0.60 0.00 0.00 54.58 53.59 3hwn n ASN 187 Cb 0.51 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.81 3hwn n ASN 187 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3hwn n SER 188 N -0.92 0.94 -0.70 1.20 3.41 -1.26 -4.69 113.62 111.60 3hwn n SER 188 Ca 0.00 -2.49 0.04 0.00 -0.26 0.00 0.00 58.87 56.16 3hwn n SER 188 Cb 0.00 -0.28 0.20 0.00 -0.26 0.00 0.00 64.21 63.87 3hwn n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hwn n TRP 189 N -0.33 0.46 0.00 7.33 8.01 -1.25 -1.73 117.44 129.93 3hwn n TRP 189 Ca 0.06 -1.35 0.00 0.00 -1.31 0.00 0.00 57.50 54.89 3hwn n TRP 189 Cb 0.82 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 3hwn n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hwn n GLY 190 N -1.11 -1.50 1.64 6.99 0.00 -0.69 -4.31 105.19 106.21 3hwn n GLY 190 Ca 0.23 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3hwn n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hwn n GLU 191 N -1.35 1.57 -0.00 1.61 0.28 -1.26 -3.10 120.64 118.39 3hwn n GLU 191 Ca 0.00 -1.22 0.01 0.00 -0.16 0.00 0.00 57.16 55.78 3hwn n GLU 191 Cb 0.00 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 31.38 3hwn n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hwn n GLU 192 N 0.19 3.05 -2.46 3.44 1.02 -1.26 -4.28 120.64 120.34 3hwn n GLU 192 Ca 0.24 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.98 3hwn n GLU 192 Cb 0.77 -0.82 -0.04 0.00 -0.02 0.00 0.00 31.44 31.33 3hwn n GLU 192 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 3hwn s TRP 193 N -1.66 3.48 0.00 -0.32 -0.00 -1.18 -4.92 118.94 114.34 3hwn s TRP 193 Ca -0.00 1.67 0.00 0.00 -0.00 0.00 0.00 56.10 57.77 3hwn s TRP 193 Cb 0.01 -3.28 0.00 0.00 -0.00 0.00 0.00 33.47 30.20 3hwn s TRP 193 CO 0.06 -0.66 0.00 0.41 -0.00 0.00 0.00 176.95 176.77 3hwn n GLY 194 N 1.01 0.59 3.57 5.86 0.00 -1.06 -0.30 105.19 114.86 3hwn n GLY 194 Ca 0.00 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3hwn n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hwn s MET 195 N 0.00 3.24 -1.44 1.61 -1.94 -0.87 -4.16 119.30 115.74 3hwn s MET 195 Ca 0.00 -1.38 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 3hwn s MET 195 Cb 0.00 -5.35 0.08 0.00 2.01 0.00 0.00 34.83 31.56 3hwn s MET 195 CO 0.00 -2.99 0.68 0.41 -0.01 0.00 0.00 175.02 173.12 3hwn n GLY 196 N 5.93 -0.49 0.00 -0.03 0.00 -1.25 -2.25 105.19 107.09 3hwn n GLY 196 Ca 0.44 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3hwn n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 197 N -1.39 2.32 3.96 -0.02 0.00 0.60 -4.50 105.19 106.16 3hwn n GLY 197 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3hwn n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwn s TYR 198 N -2.40 3.40 0.01 1.61 1.51 -0.95 -2.28 117.35 118.24 3hwn s TYR 198 Ca 0.00 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 3hwn s TYR 198 Cb 0.00 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 3hwn s TYR 198 CO 0.00 0.24 -0.07 0.54 -1.11 0.00 0.00 175.55 175.15 3hwn s VAL 199 N -2.14 0.54 -0.41 0.71 0.11 0.24 -2.05 120.40 117.41 3hwn s VAL 199 Ca 0.38 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.77 3hwn s VAL 199 Cb -0.09 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3hwn s VAL 199 CO 0.32 0.02 0.49 -0.54 -3.33 0.00 0.00 175.10 172.06 3hwn s LYS 200 N -0.51 3.26 -0.26 1.54 1.02 -1.26 -0.80 119.74 122.73 3hwn s LYS 200 Ca -0.00 -0.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 3hwn s LYS 200 Cb -0.04 -3.92 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3hwn s LYS 200 CO -0.00 -0.83 0.43 -1.64 -0.92 0.00 0.00 175.35 172.39 3hwn s MET 201 N 2.31 4.06 -0.25 1.68 -1.94 -0.40 -2.33 119.30 122.42 3hwn s MET 201 Ca 0.15 0.16 -0.34 0.00 -1.71 0.00 0.00 55.69 53.95 3hwn s MET 201 Cb -0.16 -3.64 -0.15 0.00 2.01 0.00 0.00 34.83 32.89 3hwn s MET 201 CO 0.15 -0.27 1.09 0.00 -0.01 0.00 0.00 175.02 175.97 3hwn n ALA 202 N 5.29 -1.70 -2.70 3.03 0.00 -1.04 -1.05 120.51 122.34 3hwn n ALA 202 Ca -0.07 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 3hwn n ALA 202 Cb 0.50 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 3hwn n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hwn s LYS 203 N 1.51 2.58 -1.58 0.00 2.20 -1.08 -4.60 119.74 118.77 3hwn s LYS 203 Ca 0.77 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3hwn s LYS 203 Cb -1.09 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3hwn s LYS 203 CO 0.56 0.53 0.00 -0.25 -0.36 0.00 0.00 175.35 175.84 3hwn n ASP 204 N 0.47 -4.79 -3.51 1.43 8.00 -1.26 -4.63 116.55 112.27 3hwn n ASP 204 Ca -0.10 0.21 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 3hwn n ASP 204 Cb 0.52 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.47 3hwn n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hwn n ARG 205 N -2.61 3.73 -3.58 -1.24 1.74 -1.26 -4.85 116.66 108.59 3hwn n ARG 205 Ca -0.19 -4.69 -0.23 0.00 -0.77 0.00 0.00 57.85 51.97 3hwn n ARG 205 Cb 0.62 -2.36 0.05 0.00 -1.02 0.00 0.00 32.46 29.74 3hwn n ARG 205 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hwn n ARG 206 N 0.58 -2.93 -3.71 5.56 1.74 -1.26 -3.03 116.66 113.60 3hwn n ARG 206 Ca 0.32 0.63 -0.30 0.00 -0.77 0.00 0.00 57.85 57.73 3hwn n ARG 206 Cb 0.36 -4.97 0.03 0.00 -1.02 0.00 0.00 32.46 26.85 3hwn n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hwn n ASN 207 N -2.96 -5.28 -4.70 0.55 5.15 -1.26 -4.84 115.26 101.91 3hwn n ASN 207 Ca -0.17 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.43 3hwn n ASN 207 Cb 0.63 -2.88 -0.03 0.00 -0.53 0.00 0.00 39.78 36.97 3hwn n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3hwn s HIS 208 N -3.32 3.08 -1.64 1.20 5.65 -1.17 -2.14 115.29 116.96 3hwn s HIS 208 Ca 0.32 0.96 0.00 0.00 0.25 0.00 0.00 55.06 56.59 3hwn s HIS 208 Cb -0.13 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 3hwn s HIS 208 CO 0.88 -2.18 0.00 0.00 -0.65 0.00 0.00 174.74 172.79 3hwn n GLY 210 N -0.89 0.99 0.17 0.00 0.00 -0.91 -1.55 105.19 103.00 3hwn n GLY 210 Ca -0.22 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.61 3hwn n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hwn h ILE 211 N 0.00 0.00 -0.02 -0.61 2.10 -1.71 0.23 117.51 117.50 3hwn h ILE 211 Ca -0.31 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3hwn h ILE 211 Cb 1.04 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3hwn h ILE 211 CO 0.43 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.47 3hwn n ALA 212 N -1.83 2.53 1.35 0.18 0.00 -1.26 -4.68 120.51 116.80 3hwn n ALA 212 Ca 0.01 -0.61 0.14 0.00 0.00 0.00 0.00 53.44 52.98 3hwn n ALA 212 Cb 0.18 -0.51 0.63 0.00 0.00 0.00 0.00 19.45 19.76 3hwn n ALA 212 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwn n SER 213 N 0.75 0.31 -2.74 0.00 7.64 0.80 -4.26 113.62 116.11 3hwn n SER 213 Ca 0.09 -0.35 -0.07 0.00 1.01 0.00 0.00 58.87 59.54 3hwn n SER 213 Cb 0.37 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.47 3hwn n SER 213 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hwn n ALA 214 N -1.12 -1.69 -2.51 -0.43 0.00 -1.26 -4.99 120.51 108.51 3hwn n ALA 214 Ca 0.13 -1.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.05 3hwn n ALA 214 Cb 0.28 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 3hwn n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwn s ALA 215 N 0.67 2.77 0.06 0.00 0.00 -1.26 -2.80 121.76 121.20 3hwn s ALA 215 Ca 0.31 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 3hwn s ALA 215 Cb 0.20 -0.64 0.09 0.00 0.00 0.00 0.00 23.12 22.78 3hwn s ALA 215 CO -0.21 0.52 1.11 -1.54 0.00 0.00 0.00 175.76 175.64 3hwn s SER 216 N -2.48 -0.13 -0.12 0.00 1.04 -0.52 -1.04 113.70 110.46 3hwn s SER 216 Ca 0.21 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 3hwn s SER 216 Cb -0.09 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.44 3hwn s SER 216 CO 0.12 -0.60 0.78 -0.72 0.98 0.00 0.00 173.24 173.79 3hwn s TYR 217 N -2.87 -0.60 0.43 5.02 1.13 -0.69 -1.47 117.35 118.30 3hwn s TYR 217 Ca 0.13 1.12 -0.19 0.00 -1.41 0.00 0.00 57.07 56.71 3hwn s TYR 217 Cb 0.01 0.40 -0.10 0.00 -1.10 0.00 0.00 41.96 41.17 3hwn s TYR 217 CO -0.01 -0.50 0.92 -1.25 -2.51 0.00 0.00 175.55 172.20 3hwn s PRO 218 N -0.90 4.15 -0.24 -3.49 0.04 -1.26 -1.88 135.00 131.43 3hwn s PRO 218 Ca -0.07 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 3hwn s PRO 218 Cb -0.01 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3hwn s PRO 218 CO 0.06 -0.04 0.47 0.99 0.04 0.00 0.00 177.00 178.52 3hwn s THR 219 N -2.22 5.12 0.00 1.26 2.01 -0.70 -4.92 115.64 116.19 3hwn s THR 219 Ca 0.60 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.42 3hwn s THR 219 Cb -0.09 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.62 3hwn s THR 219 CO 0.16 0.15 0.28 0.52 -0.69 0.00 0.00 174.62 175.04