#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwn n PRO 2 N 0.00 0.16 0.00 0.00 -0.02 -1.26 -4.95 135.00 128.93 3hwn n PRO 2 Ca 0.00 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3hwn n PRO 2 Cb 0.00 -1.84 0.43 0.00 -0.02 0.00 0.00 33.50 32.07 3hwn n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwn n ARG 3 N -0.96 1.05 -3.67 -0.52 1.74 -1.26 -4.88 116.66 108.16 3hwn n ARG 3 Ca 0.09 -0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 56.42 3hwn n ARG 3 Cb 0.51 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3hwn n ARG 3 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hwn s SER 4 N -2.37 -0.55 -0.06 0.55 0.15 -1.26 -4.40 113.70 105.76 3hwn s SER 4 Ca 0.28 0.97 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 3hwn s SER 4 Cb 0.20 0.98 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 3hwn s SER 4 CO 0.47 -0.27 0.17 -0.69 1.20 0.00 0.00 173.24 174.12 3hwn s VAL 5 N -0.05 0.00 -0.28 4.45 1.01 -0.36 -4.97 120.40 120.20 3hwn s VAL 5 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3hwn s VAL 5 Cb -0.04 -0.25 0.14 0.00 0.00 0.00 0.00 36.38 36.24 3hwn s VAL 5 CO 0.02 -0.00 0.35 -0.62 0.00 0.00 0.00 175.10 174.85 3hwn s ASP 6 N 0.07 0.97 0.00 3.32 2.15 -1.26 -1.55 116.67 120.37 3hwn s ASP 6 Ca -0.00 -0.46 0.13 0.00 0.43 0.00 0.00 52.55 52.65 3hwn s ASP 6 Cb -0.01 0.82 0.61 0.00 -0.30 0.00 0.00 42.92 44.03 3hwn s ASP 6 CO 0.00 -0.36 1.35 0.79 -0.17 0.00 0.00 175.17 176.78 3hwn n TRP 7 N 5.34 0.00 0.02 -5.34 7.02 -0.52 -2.62 117.44 121.34 3hwn n TRP 7 Ca -0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.34 3hwn n TRP 7 Cb 0.48 -0.35 -0.09 0.00 -2.42 0.00 0.00 31.31 28.93 3hwn n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hwn h ARG 8 N 0.00 -0.08 -1.08 -0.99 3.08 -1.96 -1.69 114.38 111.67 3hwn h ARG 8 Ca 0.00 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.35 3hwn h ARG 8 Cb 0.15 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 3hwn h ARG 8 CO 0.00 0.33 0.73 0.93 -1.07 0.00 0.00 179.97 180.89 3hwn h GLU 9 N -0.50 0.22 -0.02 0.04 5.08 -1.92 0.13 114.58 117.61 3hwn h GLU 9 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hwn h GLU 9 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hwn h GLU 9 CO 0.01 0.14 -0.06 1.63 -1.00 0.00 0.00 179.01 179.74 3hwn n LYS 10 N -4.45 1.65 -1.08 2.33 4.76 -1.12 -4.98 118.16 115.27 3hwn n LYS 10 Ca 0.25 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.61 3hwn n LYS 10 Cb 1.01 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 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 1.24 0.54 0.38 0.72 0.00 0.45 -4.97 105.19 103.55 3hwn n GLY 11 Ca 0.17 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3hwn n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hwn n TYR 12 N -3.03 0.00 -4.73 1.61 4.02 -0.70 -4.79 117.16 109.54 3hwn n TYR 12 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 3hwn n TYR 12 Cb 0.13 -0.07 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 3hwn n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hwn s VAL 13 N -2.40 3.28 0.53 -0.72 1.01 -1.26 -4.03 120.40 116.81 3hwn s VAL 13 Ca 0.25 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 3hwn s VAL 13 Cb 0.19 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 3hwn s VAL 13 CO 0.50 0.55 1.04 0.42 0.00 0.00 0.00 175.10 177.61 3hwn s THR 14 N -0.10 3.84 0.94 3.92 -4.23 -1.26 -5.03 115.64 113.72 3hwn s THR 14 Ca -0.01 1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 61.42 3hwn s THR 14 Cb -0.14 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.42 3hwn s THR 14 CO 0.03 -0.37 1.14 -2.84 -0.54 0.00 0.00 174.62 172.04 3hwn s PRO 15 N -3.60 0.84 0.24 3.99 0.02 -1.26 -4.94 135.00 130.29 3hwn s PRO 15 Ca 0.65 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 3hwn s PRO 15 Cb -0.16 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 3hwn s PRO 15 CO 0.27 -2.73 1.13 0.08 -0.33 0.00 0.00 177.00 175.42 3hwn s VAL 16 N -2.63 3.55 0.49 3.83 1.01 -1.26 -5.04 120.40 120.34 3hwn s VAL 16 Ca 0.67 1.45 0.03 0.00 0.00 0.00 0.00 61.98 64.13 3hwn s VAL 16 Cb -0.23 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3hwn s VAL 16 CO 0.59 0.30 0.08 -0.54 0.00 0.00 0.00 175.10 175.52 3hwn s LYS 17 N -0.96 2.16 -0.16 2.72 1.02 -1.26 -4.69 119.74 118.57 3hwn s LYS 17 Ca 0.48 -2.24 0.00 0.00 0.02 0.00 0.00 55.97 54.23 3hwn s LYS 17 Cb -0.32 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 3hwn s LYS 17 CO 0.39 -0.31 -0.09 1.21 -0.92 0.00 0.00 175.35 175.63 3hwn s ASN 18 N -3.90 2.88 0.16 2.83 3.84 -1.26 -2.52 114.94 116.97 3hwn s ASN 18 Ca 0.19 -0.64 0.23 0.00 0.21 0.00 0.00 52.86 52.85 3hwn s ASN 18 Cb 0.03 -1.06 0.90 0.00 -0.55 0.00 0.00 41.25 40.57 3hwn s ASN 18 CO 0.10 -0.13 1.71 0.00 -2.79 0.00 0.00 177.10 175.99 3hwn n GLN 19 N 4.80 0.15 0.00 0.43 10.64 -0.89 -4.98 117.38 127.54 3hwn n GLN 19 Ca -0.14 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 3hwn n GLN 19 Cb 0.48 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 3hwn n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hwn n GLY 20 N 0.55 0.23 1.22 2.61 0.00 -1.26 -3.61 105.19 104.93 3hwn n GLY 20 Ca 0.04 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 2.71 -2.63 1.61 1.13 -1.26 -4.89 117.38 114.05 3hwn n GLN 21 Ca 0.00 -2.29 -0.34 0.00 -1.94 0.00 0.00 57.00 52.44 3hwn n GLN 21 Cb 0.00 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 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 -0.43 4.60 0.92 0.00 0.00 0.10 -4.57 105.19 105.82 3hwn n GLY 23 Ca 0.08 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 1.29 3.67 -0.32 1.61 3.41 -1.26 -3.79 113.62 118.22 3hwn n SER 24 Ca 0.54 -2.49 0.18 0.00 -0.26 0.00 0.00 58.87 56.83 3hwn n SER 24 Cb 0.45 -0.42 0.35 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.10 0.00 0.00 0.00 5.08 -1.83 -1.31 115.95 117.98 3hwn h TRP 26 Ca 0.63 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.53 3hwn h TRP 26 Cb 1.40 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.54 3hwn h TRP 26 CO -0.30 0.00 -0.97 0.00 -1.28 0.00 0.00 178.44 175.89 3hwn h ALA 27 N 1.58 0.63 0.06 0.11 0.00 -0.23 -3.11 119.26 118.31 3hwn h ALA 27 Ca 0.15 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 3hwn h ALA 27 Cb 0.86 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hwn h ALA 27 CO -0.00 0.42 -1.30 0.74 0.00 0.00 0.00 179.25 179.10 3hwn h PHE 28 N 0.00 0.23 -0.11 0.00 -1.00 -1.10 -3.02 116.94 111.95 3hwn h PHE 28 Ca -0.06 -0.17 -0.14 0.00 2.81 0.00 0.00 57.97 60.41 3hwn h PHE 28 Cb 1.26 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 3hwn h PHE 28 CO 0.00 1.17 -0.53 1.03 -1.61 0.00 0.00 178.31 178.37 3hwn h SER 29 N 0.04 0.34 -0.07 2.17 0.87 -1.50 -3.09 113.55 112.30 3hwn h SER 29 Ca -0.14 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.13 3hwn h SER 29 Cb 1.92 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.79 3hwn h SER 29 CO 0.15 0.80 -0.41 0.00 -0.53 0.00 0.00 176.83 176.84 3hwn h ALA 30 N 1.20 0.14 0.00 6.23 0.00 -1.61 -2.65 119.26 122.57 3hwn h ALA 30 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3hwn h ALA 30 Cb 1.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hwn h ALA 30 CO 0.09 0.27 -0.41 1.79 0.00 0.00 0.00 179.25 180.98 3hwn h THR 31 N -0.08 1.10 -0.36 0.00 1.35 -1.63 -1.50 112.91 111.78 3hwn h THR 31 Ca -0.03 -1.51 -0.10 0.00 -0.55 0.00 0.00 66.41 64.22 3hwn h THR 31 Cb 1.08 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 3hwn h THR 31 CO 0.08 0.40 -0.18 1.23 -0.25 0.00 0.00 175.52 176.80 3hwn h GLY 32 N 1.64 0.72 0.62 5.82 0.00 -1.53 0.34 103.07 110.67 3hwn h GLY 32 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 3hwn h GLY 32 CO 0.05 0.53 -0.08 0.00 0.00 0.00 0.00 176.54 177.04 3hwn h ALA 33 N 1.20 0.10 -0.53 3.60 0.00 -1.19 -3.23 119.26 119.22 3hwn h ALA 33 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hwn h ALA 33 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hwn h ALA 33 CO 0.05 -0.08 0.23 -0.07 0.00 0.00 0.00 179.25 179.38 3hwn h LEU 34 N -0.27 0.71 -1.86 0.00 3.38 -1.08 -2.47 115.31 113.72 3hwn h LEU 34 Ca 0.01 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3hwn h LEU 34 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hwn h LEU 34 CO 0.02 0.66 0.44 -0.33 0.09 0.00 0.00 178.44 179.32 3hwn h GLU 35 N 0.71 0.00 0.00 1.13 5.08 -0.42 0.12 114.58 121.20 3hwn h GLU 35 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hwn h GLU 35 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hwn h GLU 35 CO -0.02 0.00 -0.06 0.78 -1.00 0.00 0.00 179.01 178.71 3hwn h GLY 36 N 0.00 0.00 1.48 -3.84 0.00 -1.46 -3.24 103.07 96.02 3hwn h GLY 36 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3hwn h GLY 36 CO -0.00 0.00 0.31 1.46 0.00 0.00 0.00 176.54 178.31 3hwn h GLN 37 N -0.92 0.56 -0.51 4.80 1.08 -1.20 1.40 115.11 120.32 3hwn h GLN 37 Ca 0.00 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 3hwn h GLN 37 Cb 0.06 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3hwn h GLN 37 CO 0.00 0.37 -0.04 0.52 -0.95 0.00 0.00 178.83 178.73 3hwn h MET 38 N 0.58 0.93 -0.34 1.46 2.86 -0.99 -1.84 114.93 117.59 3hwn h MET 38 Ca 0.18 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 3hwn h MET 38 Cb 0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3hwn h MET 38 CO -0.04 0.97 -0.19 0.35 1.06 0.00 0.00 176.91 179.06 3hwn h PHE 39 N 0.79 0.70 -0.78 -0.22 3.57 -0.49 0.31 116.94 120.82 3hwn h PHE 39 Ca 0.14 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hwn h PHE 39 Cb 0.58 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3hwn h PHE 39 CO 0.04 0.78 0.51 -0.09 -2.23 0.00 0.00 178.31 177.32 3hwn h ARG 40 N 0.56 0.96 0.09 1.11 2.43 0.17 0.54 114.38 120.25 3hwn h ARG 40 Ca 0.09 -0.06 -0.29 0.00 -0.81 0.00 0.00 59.98 58.91 3hwn h ARG 40 Cb 0.64 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3hwn h ARG 40 CO 0.04 0.64 -1.48 -0.22 -1.51 0.00 0.00 179.97 177.44 3hwn h LYS 41 N 0.99 0.18 0.00 0.20 3.64 -0.61 -3.41 116.57 117.56 3hwn h LYS 41 Ca 0.30 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hwn h LYS 41 Cb -0.01 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hwn h LYS 41 CO -0.08 1.02 -0.98 0.25 -2.27 0.00 0.00 179.45 177.39 3hwn n THR 42 N -3.39 0.00 -1.04 1.00 -2.24 0.10 -5.03 114.28 103.69 3hwn n THR 42 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 3hwn n THR 42 Cb 1.03 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 2.71 0.51 2.99 3.38 0.00 0.19 -5.00 105.19 109.97 3hwn n GLY 43 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.13 1.82 -0.23 1.61 0.52 -1.26 -5.03 118.95 115.25 3hwn s ARG 44 Ca 0.00 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.76 3hwn s ARG 44 Cb 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.76 3hwn s ARG 44 CO 0.00 -0.61 1.13 -1.17 0.02 0.00 0.00 175.30 174.67 3hwn s LEU 45 N 1.27 4.09 -0.15 2.53 2.96 -1.26 -4.29 118.68 123.83 3hwn s LEU 45 Ca -0.06 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 3hwn s LEU 45 Cb -0.19 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.97 3hwn s LEU 45 CO -0.06 -0.75 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.38 3hwn s ILE 46 N 3.43 2.18 0.34 6.68 1.01 -1.26 -5.10 121.20 128.48 3hwn s ILE 46 Ca 0.48 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3hwn s ILE 46 Cb -0.17 -1.88 -0.11 0.00 0.01 0.00 0.00 42.46 40.31 3hwn s ILE 46 CO 0.11 0.54 1.44 -0.55 0.00 0.00 0.00 174.94 176.48 3hwn s SER 47 N 0.86 6.52 0.15 3.58 0.15 -1.26 -4.81 113.70 118.89 3hwn s SER 47 Ca -0.06 2.88 0.11 0.00 0.70 0.00 0.00 55.95 59.59 3hwn s SER 47 Cb -0.15 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 3hwn s SER 47 CO -0.03 -0.75 -0.26 -0.76 1.20 0.00 0.00 173.24 172.64 3hwn s LEU 48 N -1.59 2.37 -0.42 3.45 1.43 -1.26 -1.93 118.68 120.73 3hwn s LEU 48 Ca 0.54 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3hwn s LEU 48 Cb -0.44 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hwn s LEU 48 CO 0.56 0.16 1.46 -0.55 0.23 0.00 0.00 176.35 178.20 3hwn s SER 49 N -2.30 6.25 0.32 2.29 0.15 -0.85 -4.28 113.70 115.28 3hwn s SER 49 Ca 0.17 0.82 0.14 0.00 0.70 0.00 0.00 55.95 57.78 3hwn s SER 49 Cb -0.09 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.16 3hwn s SER 49 CO 0.08 -1.50 1.65 -0.33 1.20 0.00 0.00 173.24 174.34 3hwn h GLU 50 N 11.03 0.00 -0.22 5.44 3.07 -1.84 -3.16 114.58 128.89 3hwn h GLU 50 Ca -0.28 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.44 3hwn h GLU 50 Cb 1.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3hwn h GLU 50 CO 1.09 0.51 -0.43 0.37 -1.40 0.00 0.00 179.01 179.15 3hwn h GLN 51 N 0.00 0.55 -0.46 2.33 5.75 -1.82 -1.43 115.11 120.03 3hwn h GLN 51 Ca -0.01 -0.29 0.07 0.00 -0.15 0.00 0.00 58.65 58.28 3hwn h GLN 51 Cb 1.03 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 3hwn h GLN 51 CO 0.07 0.88 0.09 -0.97 -2.65 0.00 0.00 178.83 176.25 3hwn h ASN 52 N 0.45 0.01 0.01 -0.69 -0.73 -1.78 0.43 115.58 113.28 3hwn h ASN 52 Ca 0.03 0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 3hwn h ASN 52 Cb 0.94 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.64 3hwn h ASN 52 CO 0.08 0.04 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.10 3hwn h LEU 53 N 0.23 -0.02 -0.25 0.34 3.38 -1.55 -0.04 115.31 117.40 3hwn h LEU 53 Ca 0.23 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3hwn h LEU 53 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3hwn h LEU 53 CO -0.29 -0.00 -0.07 0.58 0.09 0.00 0.00 178.44 178.74 3hwn h VAL 54 N -0.03 0.73 0.00 1.22 2.07 -0.92 -1.70 116.25 117.62 3hwn h VAL 54 Ca -0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3hwn h VAL 54 Cb 0.02 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3hwn h VAL 54 CO 0.00 0.00 -0.71 0.44 0.02 0.00 0.00 177.57 177.33 3hwn h ASP 55 N -0.02 0.00 0.00 0.57 3.32 -0.87 -3.37 116.42 116.05 3hwn h ASP 55 Ca 0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3hwn h ASP 55 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3hwn h ASP 55 CO -0.27 0.71 -1.35 0.00 -1.72 0.00 0.00 179.24 176.61 3hwn n SER 57 N -2.09 0.00 -0.37 0.00 3.41 -0.65 -4.29 113.62 109.63 3hwn n SER 57 Ca -0.07 -0.58 0.04 0.00 -0.26 0.00 0.00 58.87 58.00 3hwn n SER 57 Cb 0.56 -0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.61 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 2.93 0.50 1.34 5.00 0.00 -1.81 0.21 103.07 111.25 3hwn h GLY 58 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3hwn h GLY 58 CO 0.00 -0.32 0.00 -1.05 0.00 0.00 0.00 176.54 175.17 3hwn n PRO 59 N -5.58 0.22 0.00 4.80 -0.02 -1.26 -1.41 135.00 131.76 3hwn n PRO 59 Ca 0.14 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3hwn n PRO 59 Cb 0.46 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.80 3hwn n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hwn n GLN 60 N -1.17 0.01 0.00 -0.52 3.00 0.75 -4.94 117.38 114.51 3hwn n GLN 60 Ca 0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3hwn n GLN 60 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.79 3hwn n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hwn n GLY 61 N 1.49 0.84 3.81 1.08 0.00 -0.50 -4.85 105.19 107.07 3hwn n GLY 61 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.75 7.10 -0.50 1.61 0.01 -1.22 -4.83 114.94 115.35 3hwn s ASN 62 Ca 0.00 1.61 0.06 0.00 -0.71 0.00 0.00 52.86 53.82 3hwn s ASN 62 Cb 0.00 -2.49 0.38 0.00 0.41 0.00 0.00 41.25 39.54 3hwn s ASN 62 CO 0.00 -0.11 1.00 -0.62 -1.51 0.00 0.00 177.10 175.86 3hwn n GLU 63 N 0.25 3.10 0.00 -0.60 1.02 -0.60 -3.90 120.64 119.91 3hwn n GLU 63 Ca 0.02 -4.56 0.00 0.00 -0.02 0.00 0.00 57.16 52.59 3hwn n GLU 63 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 -0.31 1.77 0.01 0.62 0.00 -1.22 -0.84 105.19 105.22 3hwn n GLY 64 Ca 0.33 0.44 0.14 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.34 0.79 0.00 0.00 5.03 -0.02 -0.72 115.26 118.99 3hwn n ASN 66 Ca 0.11 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.67 3hwn n ASN 66 Cb 0.28 0.95 0.00 0.00 -1.02 0.00 0.00 39.78 39.99 3hwn n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hwn n GLY 67 N 1.33 1.96 0.00 7.41 0.00 -1.03 -4.99 105.19 109.87 3hwn n GLY 67 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.99 2.40 3.57 -0.02 0.00 -1.26 -1.55 105.19 107.33 3hwn n GLY 68 Ca 0.00 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 3.14 0.16 0.99 1.43 -1.26 -4.68 118.68 118.46 3hwn s LEU 69 Ca 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 3hwn s LEU 69 Cb 0.00 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3hwn s LEU 69 CO 0.00 0.34 1.82 0.24 0.23 0.00 0.00 176.35 178.99 3hwn h MET 70 N 5.39 0.58 -0.56 1.70 2.86 -1.99 -2.07 114.93 120.84 3hwn h MET 70 Ca -0.47 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.25 3hwn h MET 70 Cb 1.17 -0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.60 3hwn h MET 70 CO 0.53 0.39 -0.10 -0.44 1.06 0.00 0.00 176.91 178.35 3hwn h ASP 71 N 0.60 -0.44 -0.89 1.22 3.32 -1.95 0.36 116.42 118.63 3hwn h ASP 71 Ca 0.17 0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.49 3hwn h ASP 71 Cb -0.06 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3hwn h ASP 71 CO -0.04 -0.16 0.57 1.88 -1.72 0.00 0.00 179.24 179.77 3hwn h TYR 72 N 0.03 0.90 -0.60 4.55 0.05 -1.75 0.26 116.97 120.41 3hwn h TYR 72 Ca 0.27 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 59.05 3hwn h TYR 72 Cb 0.42 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3hwn h TYR 72 CO -0.43 0.37 0.27 0.00 -1.05 0.00 0.00 178.16 177.32 3hwn h ALA 73 N 1.58 0.78 -0.23 3.88 0.00 0.31 -2.31 119.26 123.27 3hwn h ALA 73 Ca 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3hwn h ALA 73 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hwn h ALA 73 CO -0.20 0.36 0.04 0.74 0.00 0.00 0.00 179.25 180.20 3hwn h PHE 74 N 0.83 0.40 -1.06 0.00 0.04 -0.62 -2.70 116.94 113.82 3hwn h PHE 74 Ca 0.20 -0.05 0.28 0.00 2.80 0.00 0.00 57.97 61.20 3hwn h PHE 74 Cb 0.15 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 38.11 3hwn h PHE 74 CO 0.00 0.50 0.71 0.37 -0.60 0.00 0.00 178.31 179.29 3hwn h GLN 75 N 0.19 0.28 0.16 1.51 4.15 -0.74 -2.17 115.11 118.50 3hwn h GLN 75 Ca 0.07 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3hwn h GLN 75 Cb 0.31 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3hwn h GLN 75 CO 0.00 0.19 -0.08 -0.92 -1.93 0.00 0.00 178.83 176.09 3hwn h TYR 76 N 0.29 -0.20 -0.50 3.99 3.20 -1.08 0.82 116.97 123.48 3hwn h TYR 76 Ca 0.58 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.59 3hwn h TYR 76 Cb 1.68 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 40.00 3hwn h TYR 76 CO -0.00 0.23 0.42 0.28 -1.64 0.00 0.00 178.16 177.45 3hwn h VAL 77 N -0.82 0.56 0.06 1.81 2.07 -1.30 1.47 116.25 120.10 3hwn h VAL 77 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hwn h VAL 77 Cb 0.53 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hwn h VAL 77 CO 0.04 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.99 3hwn h GLN 78 N 0.00 -0.07 -0.98 1.57 4.15 -1.41 0.27 115.11 118.65 3hwn h GLN 78 Ca 0.24 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.71 3hwn h GLN 78 Cb 1.08 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.72 3hwn h GLN 78 CO -0.00 0.39 0.64 -0.44 -1.93 0.00 0.00 178.83 177.49 3hwn h ASP 79 N -0.97 1.04 1.07 -0.69 3.32 0.73 -2.82 116.42 118.11 3hwn h ASP 79 Ca -0.01 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3hwn h ASP 79 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3hwn h ASP 79 CO 0.01 0.69 -0.97 -1.13 -1.72 0.00 0.00 179.24 176.13 3hwn h ASN 80 N 1.20 0.00 0.00 6.45 -1.24 0.19 -3.49 115.58 118.68 3hwn h ASN 80 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 3hwn h ASN 80 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 3hwn h ASN 80 CO -0.14 0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 3hwn n GLY 81 N 1.26 0.38 0.00 1.57 0.00 0.70 -5.00 105.19 104.10 3hwn n GLY 81 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.82 3.35 2.97 -0.02 0.00 0.30 -4.92 105.19 105.05 3hwn n GLY 82 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 1.64 0.82 0.99 2.96 -1.16 -4.56 118.68 119.38 3hwn s LEU 83 Ca 0.00 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 3hwn s LEU 83 Cb 0.00 -0.55 0.09 0.00 0.50 0.00 0.00 46.19 46.23 3hwn s LEU 83 CO 0.00 0.03 1.11 -1.81 -1.32 0.00 0.00 176.35 174.36 3hwn s ASP 84 N 0.46 3.92 0.45 3.68 1.01 -1.26 -1.22 116.67 123.71 3hwn s ASP 84 Ca -0.07 1.97 -0.22 0.00 0.71 0.00 0.00 52.55 54.94 3hwn s ASP 84 Cb -0.11 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3hwn s ASP 84 CO 0.01 -2.43 1.04 -0.94 0.21 0.00 0.00 175.17 173.06 3hwn s SER 85 N -3.11 6.51 0.16 0.27 1.04 -0.91 -2.00 113.70 115.66 3hwn s SER 85 Ca 0.63 1.98 -0.25 0.00 0.48 0.00 0.00 55.95 58.79 3hwn s SER 85 Cb -0.19 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.39 3hwn s SER 85 CO 0.56 -0.67 1.58 -0.08 0.98 0.00 0.00 173.24 175.62 3hwn h GLU 86 N 1.94 -0.27 -0.83 4.02 4.57 -1.57 -1.02 114.58 121.42 3hwn h GLU 86 Ca -0.49 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 57.82 3hwn h GLU 86 Cb 1.22 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 29.74 3hwn h GLU 86 CO 0.60 -0.18 -0.44 1.49 -1.18 0.00 0.00 179.01 179.31 3hwn h GLU 87 N -0.28 -0.08 0.00 1.92 4.81 -1.95 -1.60 114.58 117.41 3hwn h GLU 87 Ca 0.16 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3hwn h GLU 87 Cb 0.57 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hwn h GLU 87 CO -0.59 -0.06 -0.47 0.66 -0.73 0.00 0.00 179.01 177.83 3hwn h SER 88 N -0.09 0.00 -2.30 1.04 4.64 -1.77 -3.34 113.55 111.74 3hwn h SER 88 Ca 0.25 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.98 3hwn h SER 88 Cb 0.55 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.24 3hwn h SER 88 CO -0.86 0.47 -0.87 0.00 -0.87 0.00 0.00 176.83 174.70 3hwn n TYR 89 N -3.89 1.03 -0.68 4.77 4.19 -0.45 -5.00 117.16 117.13 3hwn n TYR 89 Ca -0.01 -3.76 -0.29 0.00 3.31 0.00 0.00 57.90 57.15 3hwn n TYR 89 Cb 0.50 -0.30 0.25 0.00 0.49 0.00 0.00 39.34 40.28 3hwn n TYR 89 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3hwn s PRO 90 N -1.25 -1.31 -0.23 2.98 0.02 -0.66 -4.53 135.00 130.02 3hwn s PRO 90 Ca 0.34 0.47 -0.09 0.00 0.02 0.00 0.00 61.00 61.74 3hwn s PRO 90 Cb 0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 34.50 33.04 3hwn s PRO 90 CO -0.12 -3.89 0.12 -0.47 -0.33 0.00 0.00 177.00 172.32 3hwn s TYR 91 N -2.57 3.25 -1.05 6.54 5.04 -1.26 -4.64 117.35 122.65 3hwn s TYR 91 Ca 0.68 0.06 0.16 0.00 -2.44 0.00 0.00 57.07 55.53 3hwn s TYR 91 Cb -0.19 -2.22 -0.10 0.00 0.35 0.00 0.00 41.96 39.80 3hwn s TYR 91 CO 0.61 -0.00 0.74 0.39 -1.34 0.00 0.00 175.55 175.95 3hwn n GLU 92 N 4.26 1.81 -0.98 4.97 1.02 -1.26 -4.98 120.64 125.47 3hwn n GLU 92 Ca -0.16 -0.35 -0.06 0.00 -0.02 0.00 0.00 57.16 56.58 3hwn n GLU 92 Cb 0.52 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.83 -0.09 -2.37 0.62 0.00 -1.26 -4.92 120.51 111.65 3hwn n ALA 93 Ca 0.05 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 3hwn n ALA 93 Cb 0.28 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.30 1.87 -0.18 0.00 -1.32 -1.26 -4.25 115.64 109.21 3hwn s THR 94 Ca 0.00 -2.23 -0.08 0.00 -1.21 0.00 0.00 61.69 58.17 3hwn s THR 94 Cb 0.00 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.87 3hwn s THR 94 CO 0.00 -0.55 0.08 -0.70 -2.21 0.00 0.00 174.62 171.25 3hwn s GLU 95 N -3.57 3.95 0.00 7.08 2.12 -1.26 -4.94 118.70 122.07 3hwn s GLU 95 Ca 0.23 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3hwn s GLU 95 Cb -0.02 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3hwn s GLU 95 CO 0.08 0.34 0.00 0.39 -0.54 0.00 0.00 175.26 175.53 3hwn n GLU 96 N 3.35 1.59 -2.39 4.30 -0.58 -1.26 -5.09 120.64 120.56 3hwn n GLU 96 Ca -0.17 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.33 3hwn n GLU 96 Cb 0.52 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.46 3hwn n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hwn s SER 97 N 1.00 4.82 -0.25 1.62 1.04 -1.26 -4.69 113.70 115.99 3hwn s SER 97 Ca 0.00 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.32 3hwn s SER 97 Cb 0.00 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 3hwn s SER 97 CO 0.00 -1.54 1.38 0.00 0.98 0.00 0.00 173.24 174.06 3hwn n LYS 99 N 7.25 2.41 -1.62 0.00 5.02 -1.26 -5.05 118.16 124.92 3hwn n LYS 99 Ca 0.16 -2.87 -0.45 0.00 -2.02 0.00 0.00 58.31 53.13 3hwn n LYS 99 Cb 0.46 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.80 1.65 -3.75 2.13 9.36 -1.26 -4.99 117.16 119.49 3hwn n TYR 100 Ca 0.23 0.60 -0.27 0.00 3.32 0.00 0.00 57.90 61.78 3hwn n TYR 100 Cb 0.87 -2.34 -0.17 0.00 -0.63 0.00 0.00 39.34 37.08 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 -0.15 2.77 0.00 2.98 3.84 -1.26 -5.03 114.94 118.09 3hwn s ASN 101 Ca 0.65 -0.73 0.19 0.00 0.21 0.00 0.00 52.86 53.17 3hwn s ASN 101 Cb -0.71 -0.61 0.98 0.00 -0.55 0.00 0.00 41.25 40.37 3hwn s ASN 101 CO 0.55 -0.28 1.55 -2.65 -2.79 0.00 0.00 177.10 173.48 3hwn n PRO 102 N 5.04 0.35 0.11 0.43 -0.02 -1.26 -1.52 135.00 138.13 3hwn n PRO 102 Ca -0.09 0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 3hwn n PRO 102 Cb 0.47 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.53 3hwn n PRO 102 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hwn h LYS 103 N 0.00 0.00 -0.97 -0.52 3.64 -2.02 -3.35 116.57 113.35 3hwn h LYS 103 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 3hwn h LYS 103 Cb 0.13 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.55 3hwn h LYS 103 CO 0.00 0.74 -0.37 0.66 -2.27 0.00 0.00 179.45 178.21 3hwn n TYR 104 N -3.64 2.96 -3.62 1.91 4.01 -0.58 -5.00 117.16 113.21 3hwn n TYR 104 Ca -0.01 -2.52 -0.37 0.00 -0.16 0.00 0.00 57.90 54.85 3hwn n TYR 104 Cb 0.73 -0.57 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 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 -3.11 6.48 -0.02 7.72 0.15 -1.25 -2.15 113.70 121.51 3hwn s SER 105 Ca 0.53 0.57 0.03 0.00 0.70 0.00 0.00 55.95 57.78 3hwn s SER 105 Cb 0.43 -2.16 0.05 0.00 -1.71 0.00 0.00 66.02 62.63 3hwn s SER 105 CO -0.02 0.22 0.86 1.33 1.20 0.00 0.00 173.24 176.82 3hwn n VAL 106 N 2.87 0.59 -4.20 4.45 0.24 -0.36 -4.93 118.33 116.99 3hwn n VAL 106 Ca -0.14 -0.66 -0.16 0.00 -2.04 0.00 0.00 64.34 61.33 3hwn n VAL 106 Cb 0.53 0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.77 1.35 -0.18 2.33 0.00 -1.19 -5.00 121.76 118.30 3hwn s ALA 107 Ca 0.06 -1.81 -0.35 0.00 0.00 0.00 0.00 51.96 49.86 3hwn s ALA 107 Cb 0.05 1.36 0.14 0.00 0.00 0.00 0.00 23.12 24.67 3hwn s ALA 107 CO 0.01 -0.69 1.30 0.54 0.00 0.00 0.00 175.76 176.92 3hwn s ASN 108 N -3.28 -0.07 -0.18 0.00 6.03 -1.26 -2.97 114.94 113.21 3hwn s ASN 108 Ca 0.37 -0.02 -0.27 0.00 -1.03 0.00 0.00 52.86 51.90 3hwn s ASN 108 Cb 0.02 0.09 0.07 0.00 -3.03 0.00 0.00 41.25 38.40 3hwn s ASN 108 CO 0.22 -0.15 0.71 1.51 -2.03 0.00 0.00 177.10 177.36 3hwn s ASP 109 N -2.34 -0.71 0.57 3.54 1.47 -1.26 -4.87 116.67 113.07 3hwn s ASP 109 Ca 0.12 1.15 0.26 0.00 1.18 0.00 0.00 52.55 55.25 3hwn s ASP 109 Cb 0.01 1.09 1.66 0.00 -0.34 0.00 0.00 42.92 45.34 3hwn s ASP 109 CO -0.04 -0.39 2.20 0.00 0.68 0.00 0.00 175.17 177.62 3hwn h ALA 110 N 4.18 1.70 0.00 2.11 0.00 -1.89 -3.35 119.26 122.01 3hwn h ALA 110 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hwn h ALA 110 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hwn h ALA 110 CO 0.19 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3hwn n GLY 111 N -1.39 0.06 3.74 0.00 0.00 -1.26 -5.00 105.19 101.34 3hwn n GLY 111 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.08 0.05 1.61 -0.12 -1.26 -1.63 117.98 116.55 3hwn s PHE 112 Ca 0.00 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 56.77 3hwn s PHE 112 Cb 0.00 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 3hwn s PHE 112 CO 0.00 -0.70 -0.20 0.08 -0.05 0.00 0.00 175.22 174.35 3hwn s VAL 113 N -2.93 1.61 -0.25 -2.49 1.01 -0.81 -4.85 120.40 111.69 3hwn s VAL 113 Ca 0.14 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 3hwn s VAL 113 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3hwn s VAL 113 CO 0.01 0.14 0.07 -1.81 0.00 0.00 0.00 175.10 173.51 3hwn s ASP 114 N -1.29 5.14 -0.08 3.32 1.01 -1.26 -2.85 116.67 120.66 3hwn s ASP 114 Ca 0.07 -0.20 -0.30 0.00 0.71 0.00 0.00 52.55 52.83 3hwn s ASP 114 Cb -0.09 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 3hwn s ASP 114 CO 0.02 -0.03 1.11 -0.63 0.21 0.00 0.00 175.17 175.86 3hwn s ILE 115 N 1.56 4.50 0.67 0.77 1.01 0.72 -4.98 121.20 125.45 3hwn s ILE 115 Ca 0.06 1.80 -0.17 0.00 0.00 0.00 0.00 60.65 62.34 3hwn s ILE 115 Cb -0.15 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3hwn s ILE 115 CO 0.04 -0.01 0.62 -2.65 0.00 0.00 0.00 174.94 172.94 3hwn n PRO 116 N 5.18 0.44 -0.13 2.79 -0.02 -1.26 -4.38 135.00 137.62 3hwn n PRO 116 Ca 0.10 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 61.75 3hwn n PRO 116 Cb 0.47 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.70 0.26 -4.51 -0.52 4.81 -1.26 -4.66 118.16 111.58 3hwn n LYS 117 Ca 0.11 -0.11 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3hwn n LYS 117 Cb 0.49 -1.53 -0.17 0.00 0.02 0.00 0.00 35.03 33.84 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 2.40 2.21 0.54 1.64 1.11 -1.26 -4.80 119.66 121.50 3hwn s GLN 118 Ca 0.07 -0.56 0.22 0.00 0.01 0.00 0.00 55.36 55.10 3hwn s GLN 118 Cb 0.03 -1.86 1.40 0.00 -1.01 0.00 0.00 33.01 31.57 3hwn s GLN 118 CO 0.00 -0.04 2.09 0.93 0.01 0.00 0.00 175.29 178.28 3hwn h GLU 119 N 7.34 0.00 -0.20 2.91 5.08 -1.87 0.14 114.58 127.98 3hwn h GLU 119 Ca -0.30 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.86 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 0.49 0.00 -0.66 -0.22 -1.00 0.00 0.00 179.01 177.62 3hwn h LYS 120 N 0.00 0.75 -0.35 2.33 1.63 -1.94 -0.54 116.57 118.45 3hwn h LYS 120 Ca 0.11 -0.54 -0.10 0.00 -0.85 0.00 0.00 60.65 59.27 3hwn h LYS 120 Cb 0.45 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 3hwn h LYS 120 CO -0.00 1.16 -0.20 0.00 -3.45 0.00 0.00 179.45 176.96 3hwn h ALA 121 N 0.71 1.00 -0.39 5.00 0.00 -1.63 -2.39 119.26 121.55 3hwn h ALA 121 Ca -0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3hwn h ALA 121 Cb 1.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hwn h ALA 121 CO 0.13 0.59 -0.20 1.25 0.00 0.00 0.00 179.25 181.03 3hwn h LEU 122 N 0.59 0.77 0.60 0.00 5.85 -0.53 -2.09 115.31 120.50 3hwn h LEU 122 Ca 0.09 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3hwn h LEU 122 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hwn h LEU 122 CO 0.05 0.96 -0.49 -0.03 -0.34 0.00 0.00 178.44 178.58 3hwn h MET 123 N 0.67 -1.03 -0.81 1.25 4.05 -1.01 0.31 114.93 118.38 3hwn h MET 123 Ca 0.10 0.07 0.09 0.00 -0.28 0.00 0.00 59.70 59.68 3hwn h MET 123 Cb 0.70 0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.66 3hwn h MET 123 CO 0.05 -0.68 0.45 1.57 0.23 0.00 0.00 176.91 178.53 3hwn h LYS 124 N -1.06 0.74 -0.17 0.39 2.10 -1.37 0.32 116.57 117.51 3hwn h LYS 124 Ca -0.08 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3hwn h LYS 124 Cb 0.89 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 3hwn h LYS 124 CO 0.00 0.49 0.11 0.00 -2.00 0.00 0.00 179.45 178.05 3hwn h ALA 125 N 1.45 0.22 -0.52 0.07 0.00 -1.31 -0.81 119.26 118.36 3hwn h ALA 125 Ca 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3hwn h ALA 125 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hwn h ALA 125 CO -0.25 -0.28 0.29 0.28 0.00 0.00 0.00 179.25 179.29 3hwn h VAL 126 N 0.21 1.17 0.00 0.00 2.07 0.64 0.40 116.25 120.74 3hwn h VAL 126 Ca 0.06 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3hwn h VAL 126 Cb 0.01 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hwn h VAL 126 CO -0.01 0.18 -0.29 0.00 0.02 0.00 0.00 177.57 177.47 3hwn h ALA 127 N 1.13 1.43 0.00 1.67 0.00 -0.12 -3.25 119.26 120.11 3hwn h ALA 127 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwn h ALA 127 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwn h ALA 127 CO -0.03 0.36 -1.00 0.25 0.00 0.00 0.00 179.25 178.83 3hwn n THR 128 N -4.06 0.00 -0.04 0.00 -2.24 -0.33 -4.80 114.28 102.81 3hwn n THR 128 Ca -0.02 -0.21 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3hwn n THR 128 Cb 0.35 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.55 0.49 0.00 2.28 0.31 0.12 -5.06 118.33 114.92 3hwn n VAL 129 Ca -0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hwn n VAL 129 Cb 0.15 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 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 2.91 0.62 3.68 2.92 0.00 -1.23 -4.89 105.19 109.20 3hwn n GLY 130 Ca -0.14 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 3hwn n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hwn s PRO 131 N -0.73 4.15 -0.19 1.61 0.02 -1.26 -4.44 135.00 134.15 3hwn s PRO 131 Ca 0.00 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 3hwn s PRO 131 Cb 0.00 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 3hwn s PRO 131 CO 0.00 -0.87 0.07 0.42 -0.33 0.00 0.00 177.00 176.29 3hwn s ILE 132 N 3.45 4.76 0.17 2.83 -1.09 -0.25 -4.56 121.20 126.51 3hwn s ILE 132 Ca 0.82 -0.04 -0.30 0.00 -2.23 0.00 0.00 60.65 58.90 3hwn s ILE 132 Cb -0.43 -3.16 -0.08 0.00 -1.58 0.00 0.00 42.46 37.21 3hwn s ILE 132 CO 0.37 0.44 1.27 -0.44 -1.23 0.00 0.00 174.94 175.35 3hwn s SER 133 N 0.58 6.97 0.04 3.58 0.01 -0.45 -0.51 113.70 123.92 3hwn s SER 133 Ca 0.03 2.29 -0.07 0.00 1.31 0.00 0.00 55.95 59.52 3hwn s SER 133 Cb -0.13 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3hwn s SER 133 CO 0.01 -0.48 0.13 0.68 0.41 0.00 0.00 173.24 173.98 3hwn s VAL 134 N 0.29 0.13 0.10 3.43 -7.23 -0.18 -1.76 120.40 115.17 3hwn s VAL 134 Ca 0.57 -1.08 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 3hwn s VAL 134 Cb -0.34 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 3hwn s VAL 134 CO 0.36 -0.60 -0.04 0.00 -0.31 0.00 0.00 175.10 174.51 3hwn s ALA 135 N -2.80 3.15 0.03 1.32 0.00 -1.25 -0.28 121.76 121.93 3hwn s ALA 135 Ca -0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 3hwn s ALA 135 Cb -0.00 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.06 3hwn s ALA 135 CO -0.05 0.68 0.20 0.96 0.00 0.00 0.00 175.76 177.55 3hwn s ILE 136 N -1.27 0.10 -0.37 0.00 -4.36 -0.46 -3.75 121.20 111.09 3hwn s ILE 136 Ca 0.24 -0.79 -0.29 0.00 -0.26 0.00 0.00 60.65 59.54 3hwn s ILE 136 Cb -0.11 -0.78 0.01 0.00 1.25 0.00 0.00 42.46 42.82 3hwn s ILE 136 CO 0.16 -0.44 1.29 -0.62 0.24 0.00 0.00 174.94 175.57 3hwn s ASP 137 N -1.86 6.58 0.00 4.36 -1.08 -0.56 -2.33 116.67 121.79 3hwn s ASP 137 Ca -0.08 0.94 0.04 0.00 -0.52 0.00 0.00 52.55 52.93 3hwn s ASP 137 Cb -0.03 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.97 3hwn s ASP 137 CO -0.02 -1.21 0.87 0.00 0.52 0.00 0.00 175.17 175.34 3hwn n ALA 138 N 7.97 2.28 -0.92 3.66 0.00 -1.26 -4.85 120.51 127.39 3hwn n ALA 138 Ca 0.15 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 3hwn n ALA 138 Cb 0.47 -0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 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 0.06 2.86 2.88 0.00 0.00 -1.26 -4.78 105.19 104.94 3hwn n GLY 139 Ca 0.03 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 1.07 -0.10 0.52 1.61 3.76 -1.26 -5.03 115.29 115.86 3hwn s HIS 140 Ca 0.60 0.35 0.30 0.00 -0.15 0.00 0.00 55.06 56.16 3hwn s HIS 140 Cb 0.29 -0.12 1.43 0.00 1.11 0.00 0.00 32.58 35.29 3hwn s HIS 140 CO 0.00 -0.13 1.86 1.05 -0.85 0.00 0.00 174.74 176.67 3hwn h GLU 141 N 7.14 0.06 -0.65 1.40 4.11 -2.00 0.34 114.58 124.98 3hwn h GLU 141 Ca -0.42 -0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.12 3hwn h GLU 141 Cb 1.14 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 3hwn h GLU 141 CO 0.44 0.04 0.21 0.66 0.07 0.00 0.00 179.01 180.44 3hwn h SER 142 N 0.07 0.15 -0.22 3.06 4.64 -1.96 -2.75 113.55 116.55 3hwn h SER 142 Ca 0.47 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 3hwn h SER 142 Cb 1.75 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.93 3hwn h SER 142 CO -0.04 0.08 0.09 0.15 -0.87 0.00 0.00 176.83 176.23 3hwn h PHE 143 N 0.36 0.32 -0.77 4.77 3.57 -0.64 -2.37 116.94 122.17 3hwn h PHE 143 Ca 0.34 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 62.02 3hwn h PHE 143 Cb 0.49 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3hwn h PHE 143 CO -0.20 0.35 0.54 -0.07 -2.23 0.00 0.00 178.31 176.70 3hwn h LEU 144 N 0.20 0.16 -1.97 0.59 3.38 -1.36 -1.16 115.31 115.15 3hwn h LEU 144 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hwn h LEU 144 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hwn h LEU 144 CO -0.01 0.07 0.00 0.49 0.09 0.00 0.00 178.44 179.08 3hwn n PHE 145 N -4.39 0.08 -1.67 1.13 3.72 -1.07 -4.96 117.46 110.29 3hwn n PHE 145 Ca 0.16 -0.04 -0.47 0.00 -0.05 0.00 0.00 57.45 57.05 3hwn n PHE 145 Cb 0.73 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.35 2.25 0.05 1.38 9.36 -0.44 -4.84 117.16 126.27 3hwn n TYR 146 Ca 0.15 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.60 3hwn n TYR 146 Cb 0.60 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 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 4.14 0.00 -3.95 2.98 5.02 -1.26 -2.48 118.16 122.62 3hwn n LYS 147 Ca 0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 3hwn n LYS 147 Cb 0.28 -0.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.86 3hwn n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hwn s GLU 148 N -2.00 2.02 0.87 1.97 -1.05 -1.26 -3.12 118.70 116.13 3hwn s GLU 148 Ca 0.00 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.28 3hwn s GLU 148 Cb 0.00 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 3hwn s GLU 148 CO 0.00 -0.90 0.00 0.41 0.95 0.00 0.00 175.26 175.72 3hwn n GLY 149 N -0.53 -0.69 3.40 -3.83 0.00 -1.26 -4.84 105.19 97.45 3hwn n GLY 149 Ca -0.04 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 3.32 -0.35 -0.61 1.01 -1.26 -4.43 121.20 118.88 3hwn s ILE 150 Ca 0.00 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 3hwn s ILE 150 Cb 0.00 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3hwn s ILE 150 CO 0.00 0.51 0.82 -0.47 0.00 0.00 0.00 174.94 175.80 3hwn s TYR 151 N 0.45 3.12 -0.14 3.97 5.04 0.26 -4.86 117.35 125.20 3hwn s TYR 151 Ca -0.07 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 3hwn s TYR 151 Cb -0.15 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.75 3hwn s TYR 151 CO 0.04 -0.72 -0.11 0.12 -1.34 0.00 0.00 175.55 173.53 3hwn s PHE 152 N 3.17 1.95 -0.39 4.97 5.36 -1.26 -2.09 117.98 129.69 3hwn s PHE 152 Ca 0.33 -1.09 -0.07 0.00 -0.96 0.00 0.00 56.93 55.15 3hwn s PHE 152 Cb -0.13 -1.47 0.07 0.00 -0.34 0.00 0.00 43.02 41.15 3hwn s PHE 152 CO 0.16 -0.62 0.19 -2.00 -1.46 0.00 0.00 175.22 171.49 3hwn s GLU 153 N 1.56 2.47 0.58 10.12 2.56 -1.26 -4.99 118.70 129.74 3hwn s GLU 153 Ca 0.04 -1.44 0.29 0.00 0.00 0.00 0.00 54.97 53.86 3hwn s GLU 153 Cb -0.13 -3.61 1.46 0.00 2.00 0.00 0.00 34.13 33.85 3hwn s GLU 153 CO -0.10 -0.88 1.88 -1.35 -0.56 0.00 0.00 175.26 174.26 3hwn h PRO 154 N 8.25 0.00 -0.52 4.30 0.11 -2.04 -2.62 132.00 139.48 3hwn h PRO 154 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3hwn h PRO 154 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hwn h PRO 154 CO 0.69 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.01 3hwn n ASP 155 N -3.80 2.61 -4.80 -2.05 2.03 -1.26 -4.98 116.55 104.31 3hwn n ASP 155 Ca 0.10 -2.16 -0.37 0.00 0.52 0.00 0.00 54.79 52.88 3hwn n ASP 155 Cb 0.74 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.49 6.48 0.00 0.00 0.15 -1.26 -4.73 113.70 112.84 3hwn s SER 157 Ca 0.42 0.56 0.13 0.00 0.70 0.00 0.00 55.95 57.77 3hwn s SER 157 Cb -0.19 -2.14 0.40 0.00 -1.71 0.00 0.00 66.02 62.38 3hwn s SER 157 CO 0.23 0.29 1.32 -0.24 1.20 0.00 0.00 173.24 176.04 3hwn n SER 158 N 2.50 2.04 -0.01 5.45 2.88 -1.26 -3.52 113.62 121.69 3hwn n SER 158 Ca -0.16 -1.96 -0.05 0.00 -1.33 0.00 0.00 58.87 55.37 3hwn n SER 158 Cb 0.53 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 3hwn n SER 158 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hwn n GLU 159 N 0.60 0.15 -3.47 -1.46 -0.58 -1.26 -4.56 120.64 110.05 3hwn n GLU 159 Ca 0.13 0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.51 3hwn n GLU 159 Cb 0.33 -0.75 -0.08 0.00 -0.57 0.00 0.00 31.44 30.37 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 -5.81 5.92 -0.10 1.62 1.11 -1.26 -5.06 116.67 113.09 3hwn s ASP 160 Ca -0.09 -1.52 -0.04 0.00 0.18 0.00 0.00 52.55 51.08 3hwn s ASP 160 Cb 0.03 -2.10 -0.04 0.00 1.07 0.00 0.00 42.92 41.88 3hwn s ASP 160 CO 0.12 -0.64 0.05 -0.04 1.18 0.00 0.00 175.17 175.84 3hwn s MET 161 N 1.53 3.17 0.00 8.23 -1.94 -1.26 -4.63 119.30 124.39 3hwn s MET 161 Ca 0.04 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 3hwn s MET 161 Cb -0.25 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.65 3hwn s MET 161 CO 0.04 0.72 0.16 -0.40 -0.01 0.00 0.00 175.02 175.53 3hwn n ASP 162 N 2.12 0.32 -3.69 3.03 5.75 -0.98 -4.86 116.55 118.24 3hwn n ASP 162 Ca -0.19 -0.64 -0.22 0.00 -0.01 0.00 0.00 54.79 53.73 3hwn n ASP 162 Cb 0.54 0.53 -0.18 0.00 -1.03 0.00 0.00 41.12 40.99 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 -0.53 0.28 -0.01 2.11 5.04 -0.99 -4.97 115.29 116.22 3hwn s HIS 163 Ca 0.00 0.01 -0.15 0.00 -1.54 0.00 0.00 55.06 53.38 3hwn s HIS 163 Cb 0.00 -0.62 -0.06 0.00 0.04 0.00 0.00 32.58 31.94 3hwn s HIS 163 CO 0.00 -0.30 0.40 0.20 -2.34 0.00 0.00 174.74 172.71 3hwn s GLY 164 N 2.10 2.46 0.00 1.59 0.00 -1.26 -1.35 107.32 110.86 3hwn s GLY 164 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3hwn s GLY 164 CO -0.05 0.18 0.00 3.33 0.00 0.00 0.00 173.10 176.57 3hwn n VAL 165 N 1.98 0.00 -4.04 1.40 0.24 0.62 -4.46 118.33 114.06 3hwn n VAL 165 Ca -0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.95 3hwn n VAL 165 Cb 0.52 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.11 -0.51 1.34 2.96 -1.09 -1.01 118.68 121.48 3hwn s LEU 166 Ca 0.00 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.57 3hwn s LEU 166 Cb 0.00 -0.50 0.05 0.00 0.50 0.00 0.00 46.19 46.24 3hwn s LEU 166 CO 0.00 -0.10 0.70 -0.69 -1.32 0.00 0.00 176.35 174.94 3hwn s VAL 167 N 1.29 4.76 -2.68 1.68 1.01 0.33 0.12 120.40 126.90 3hwn s VAL 167 Ca -0.05 -0.23 0.24 0.00 0.00 0.00 0.00 61.98 61.94 3hwn s VAL 167 Cb -0.14 -4.34 0.35 0.00 0.00 0.00 0.00 36.38 32.26 3hwn s VAL 167 CO -0.02 -0.84 1.43 1.33 0.00 0.00 0.00 175.10 177.00 3hwn n VAL 168 N 5.78 0.15 -2.32 2.92 0.24 0.45 -1.09 118.33 124.46 3hwn n VAL 168 Ca -0.04 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3hwn n VAL 168 Cb 0.46 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 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 1.33 -1.87 3.61 7.63 0.00 -0.99 -1.44 105.19 113.46 3hwn n GLY 169 Ca 0.17 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.61 0.47 -0.23 1.61 -0.85 -0.60 0.16 117.35 115.30 3hwn s TYR 170 Ca 0.00 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 3hwn s TYR 170 Cb 0.00 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.57 3hwn s TYR 170 CO 0.00 -1.11 0.00 0.41 -1.52 0.00 0.00 175.55 173.33 3hwn n GLY 171 N -0.45 -0.68 3.30 5.49 0.00 -0.26 -1.23 105.19 111.37 3hwn n GLY 171 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.48 -0.10 0.00 1.61 -0.71 -1.26 -0.69 117.98 113.37 3hwn s PHE 172 Ca 0.00 -0.25 -0.26 0.00 -1.04 0.00 0.00 56.93 55.38 3hwn s PHE 172 Cb 0.00 0.18 0.06 0.00 -1.21 0.00 0.00 43.02 42.05 3hwn s PHE 172 CO 0.00 -0.67 0.58 -1.83 -1.34 0.00 0.00 175.22 171.96 3hwn s GLU 173 N -3.83 1.03 0.21 1.99 -1.05 0.45 -4.98 118.70 112.53 3hwn s GLU 173 Ca 0.04 -0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 3hwn s GLU 173 Cb 0.03 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.10 3hwn s GLU 173 CO -0.11 -0.35 1.34 -1.12 0.95 0.00 0.00 175.26 175.97 3hwn s SER 174 N -1.60 6.84 0.41 0.83 0.01 -1.26 -4.43 113.70 114.49 3hwn s SER 174 Ca -0.08 2.47 0.05 0.00 1.31 0.00 0.00 55.95 59.70 3hwn s SER 174 Cb -0.01 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 3hwn s SER 174 CO 0.04 -0.57 0.18 0.42 0.41 0.00 0.00 173.24 173.72 3hwn s THR 175 N 0.05 0.37 0.12 1.44 -4.23 -1.26 -5.06 115.64 107.07 3hwn s THR 175 Ca 0.57 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.88 3hwn s THR 175 Cb -0.38 -2.32 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 3hwn s THR 175 CO 0.40 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.87 3hwn h GLU 176 N 1.80 0.03 -0.01 3.99 4.39 -1.96 -3.23 114.58 119.59 3hwn h GLU 176 Ca -0.31 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3hwn h GLU 176 Cb 1.27 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3hwn h GLU 176 CO 0.49 0.02 -0.29 -1.13 -1.16 0.00 0.00 179.01 176.94 3hwn n SER 177 N -5.15 0.97 -0.43 1.42 3.41 -1.26 -4.93 113.62 107.66 3hwn n SER 177 Ca -0.03 -0.82 -0.06 0.00 -0.26 0.00 0.00 58.87 57.70 3hwn n SER 177 Cb 0.10 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hwn n SER 177 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hwn n ASP 178 N -0.75 -4.47 -4.42 4.04 8.00 -1.22 -4.94 116.55 112.80 3hwn n ASP 178 Ca 0.11 0.14 -0.45 0.00 0.71 0.00 0.00 54.79 55.31 3hwn n ASP 178 Cb 0.35 -2.46 -0.02 0.00 -0.02 0.00 0.00 41.12 38.96 3hwn n ASP 178 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3hwn s ASN 179 N -2.45 6.68 -0.00 -2.24 0.01 -1.26 -4.85 114.94 110.83 3hwn s ASN 179 Ca 0.00 -2.25 0.01 0.00 -0.71 0.00 0.00 52.86 49.91 3hwn s ASN 179 Cb 0.00 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.32 3hwn s ASN 179 CO 0.00 -0.92 0.95 -0.46 -1.51 0.00 0.00 177.10 175.16 3hwn n ASN 180 N 5.84 1.80 -4.89 -1.22 0.23 -1.26 -4.79 115.26 110.95 3hwn n ASN 180 Ca 0.22 -1.93 -0.33 0.00 -0.53 0.00 0.00 54.58 52.00 3hwn n ASN 180 Cb 0.48 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.12 3hwn n ASN 180 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3hwn s LYS 181 N -0.96 3.56 -0.01 -3.83 1.02 -1.26 -0.41 119.74 117.85 3hwn s LYS 181 Ca 0.01 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 3hwn s LYS 181 Cb 0.01 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3hwn s LYS 181 CO 0.00 0.60 0.05 1.52 -0.92 0.00 0.00 175.35 176.60 3hwn s TYR 182 N -1.41 0.02 -0.04 3.18 -0.85 0.14 -1.73 117.35 116.66 3hwn s TYR 182 Ca 0.32 -0.03 -0.26 0.00 -0.52 0.00 0.00 57.07 56.58 3hwn s TYR 182 Cb -0.13 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.14 3hwn s TYR 182 CO 0.20 -0.09 0.82 -1.58 -1.52 0.00 0.00 175.55 173.37 3hwn s TRP 183 N -0.46 3.62 -0.44 -3.49 0.52 0.08 -1.10 118.94 117.66 3hwn s TRP 183 Ca -0.05 1.44 -0.23 0.00 0.02 0.00 0.00 56.10 57.28 3hwn s TRP 183 Cb -0.03 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.38 3hwn s TRP 183 CO 0.00 0.05 0.80 -1.17 0.02 0.00 0.00 176.95 176.66 3hwn s LEU 184 N 0.86 4.20 -0.10 2.99 2.96 0.42 -1.87 118.68 128.14 3hwn s LEU 184 Ca 0.44 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 3hwn s LEU 184 Cb -0.19 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 3hwn s LEU 184 CO 0.22 -0.91 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.46 3hwn s VAL 185 N 3.34 2.53 0.22 1.68 1.01 -0.70 -0.41 120.40 128.06 3hwn s VAL 185 Ca 0.31 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3hwn s VAL 185 Cb -0.12 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 3hwn s VAL 185 CO 0.23 0.55 0.65 -0.75 0.00 0.00 0.00 175.10 175.78 3hwn s LYS 186 N 0.11 4.06 0.34 2.72 2.20 0.31 -0.86 119.74 128.63 3hwn s LYS 186 Ca -0.09 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.19 3hwn s LYS 186 Cb -0.15 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 3hwn s LYS 186 CO 0.06 0.36 0.07 1.21 -0.36 0.00 0.00 175.35 176.69 3hwn s ASN 187 N -1.88 2.48 -0.47 1.43 3.84 -1.08 -2.67 114.94 116.58 3hwn s ASN 187 Ca 0.44 -1.42 0.07 0.00 0.21 0.00 0.00 52.86 52.16 3hwn s ASN 187 Cb -0.14 0.01 0.39 0.00 -0.55 0.00 0.00 41.25 40.96 3hwn s ASN 187 CO 0.20 -0.66 1.00 -1.54 -2.79 0.00 0.00 177.10 173.31 3hwn n SER 188 N -0.78 3.93 -1.54 -4.21 3.41 -1.26 -4.53 113.62 108.64 3hwn n SER 188 Ca -0.03 -3.53 -0.13 0.00 -0.26 0.00 0.00 58.87 54.91 3hwn n SER 188 Cb 0.66 -0.52 0.15 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.29 1.78 -0.92 7.33 8.01 -1.23 -2.08 117.44 130.04 3hwn n TRP 189 Ca 0.32 -1.93 0.12 0.00 -1.31 0.00 0.00 57.50 54.70 3hwn n TRP 189 Cb 0.58 -0.62 -0.04 0.00 -2.01 0.00 0.00 31.31 29.22 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 -1.03 -2.40 0.28 6.99 0.00 -1.05 -4.05 105.19 103.93 3hwn n GLY 190 Ca 0.41 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.65 1.38 0.01 1.61 0.28 -1.26 -3.50 120.64 115.51 3hwn n GLU 191 Ca -0.02 -0.55 -0.14 0.00 -0.16 0.00 0.00 57.16 56.28 3hwn n GLU 191 Cb 0.43 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 3hwn n GLU 191 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3hwn h GLU 192 N 1.34 0.62 -6.88 3.44 5.08 -1.88 -3.25 114.58 113.06 3hwn h GLU 192 Ca 0.00 -0.51 -0.51 0.00 -1.00 0.00 0.00 59.36 57.34 3hwn h GLU 192 Cb 0.29 0.11 0.04 0.00 0.50 0.00 0.00 28.75 29.69 3hwn h GLU 192 CO 0.00 1.13 0.53 -0.46 -1.00 0.00 0.00 179.01 179.22 3hwn s TRP 193 N -3.67 3.25 0.00 4.33 -0.00 -1.23 -4.88 118.94 116.73 3hwn s TRP 193 Ca -0.08 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.58 3hwn s TRP 193 Cb 0.09 -3.44 0.00 0.00 -0.00 0.00 0.00 33.47 30.12 3hwn s TRP 193 CO 0.88 -1.20 0.00 0.41 -0.00 0.00 0.00 176.95 177.04 3hwn n GLY 194 N 0.88 1.89 3.47 5.86 0.00 -1.03 -1.30 105.19 114.96 3hwn n GLY 194 Ca 0.01 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3hwn n GLY 194 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hwn s MET 195 N 0.00 3.04 -0.02 1.61 -2.45 -0.73 -4.59 119.30 116.17 3hwn s MET 195 Ca 0.00 -0.96 0.00 0.00 -1.25 0.00 0.00 55.69 53.48 3hwn s MET 195 Cb 0.00 -3.96 0.00 0.00 1.25 0.00 0.00 34.83 32.12 3hwn s MET 195 CO 0.00 -0.72 0.00 0.41 1.05 0.00 0.00 175.02 175.76 3hwn n GLY 196 N 5.15 0.01 0.37 2.11 0.00 -1.26 0.98 105.19 112.55 3hwn n GLY 196 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.92 0.77 3.59 -0.02 0.00 -0.42 -4.38 105.19 105.66 3hwn n GLY 197 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 2.63 -0.04 1.61 2.02 0.27 -2.65 117.35 119.06 3hwn s TYR 198 Ca 0.00 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.45 3hwn s TYR 198 Cb 0.00 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 3hwn s TYR 198 CO 0.00 0.59 0.07 0.54 -1.57 0.00 0.00 175.55 175.18 3hwn s VAL 199 N -2.09 -0.04 -0.57 0.71 0.11 -0.04 -1.77 120.40 116.70 3hwn s VAL 199 Ca 0.29 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.27 3hwn s VAL 199 Cb -0.07 -0.13 0.06 0.00 -1.53 0.00 0.00 36.38 34.70 3hwn s VAL 199 CO 0.17 0.07 0.86 -0.54 -3.33 0.00 0.00 175.10 172.33 3hwn s LYS 200 N 0.89 3.20 -0.22 1.54 1.02 -1.26 -1.73 119.74 123.19 3hwn s LYS 200 Ca -0.07 -0.63 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 3hwn s LYS 200 Cb -0.10 -4.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 3hwn s LYS 200 CO -0.03 -1.52 0.13 -1.64 -0.92 0.00 0.00 175.35 171.37 3hwn s MET 201 N 3.60 4.05 -0.19 1.68 -1.94 -0.78 0.92 119.30 126.64 3hwn s MET 201 Ca 0.23 -0.29 -0.17 0.00 -1.71 0.00 0.00 55.69 53.75 3hwn s MET 201 Cb -0.16 -3.44 -0.07 0.00 2.01 0.00 0.00 34.83 33.16 3hwn s MET 201 CO 0.14 0.13 0.61 0.00 -0.01 0.00 0.00 175.02 175.89 3hwn n ALA 202 N 4.05 -0.47 -2.69 3.03 0.00 -0.89 -0.74 120.51 122.80 3hwn n ALA 202 Ca -0.16 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 3hwn n ALA 202 Cb 0.52 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 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 1.19 2.90 -1.36 0.00 2.20 -0.70 -4.58 119.74 119.39 3hwn s LYS 203 Ca 0.39 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.41 3hwn s LYS 203 Cb -0.56 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3hwn s LYS 203 CO 0.30 0.66 1.04 -0.25 -0.36 0.00 0.00 175.35 176.74 3hwn n ASP 204 N 1.69 -6.22 -2.95 1.43 8.00 -1.26 -4.58 116.55 112.66 3hwn n ASP 204 Ca -0.16 -0.47 -0.25 0.00 0.71 0.00 0.00 54.79 54.62 3hwn n ASP 204 Cb 0.53 -4.88 -0.03 0.00 -0.02 0.00 0.00 41.12 36.71 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 -4.68 2.77 -2.49 -1.24 1.74 -1.26 -4.97 116.66 106.52 3hwn n ARG 205 Ca -0.02 -4.52 -0.07 0.00 -0.77 0.00 0.00 57.85 52.48 3hwn n ARG 205 Cb 0.57 -2.12 0.03 0.00 -1.02 0.00 0.00 32.46 29.93 3hwn n ARG 205 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hwn n ARG 206 N -0.16 -1.20 -3.16 5.56 0.63 -1.26 -3.04 116.66 114.02 3hwn n ARG 206 Ca 0.30 0.60 -0.14 0.00 -0.92 0.00 0.00 57.85 57.69 3hwn n ARG 206 Cb 0.47 -4.00 0.00 0.00 0.45 0.00 0.00 32.46 29.38 3hwn n ARG 206 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3hwn n ASN 207 N -2.31 -2.63 -4.72 6.15 2.85 -1.26 -4.71 115.26 108.63 3hwn n ASN 207 Ca -0.03 -0.51 -0.42 0.00 -0.11 0.00 0.00 54.58 53.50 3hwn n ASN 207 Cb 0.56 -0.87 -0.03 0.00 1.24 0.00 0.00 39.78 40.68 3hwn n ASN 207 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3hwn s HIS 208 N -2.44 3.05 -0.81 1.20 5.65 -1.17 -1.62 115.29 119.15 3hwn s HIS 208 Ca 0.01 0.66 -0.06 0.00 0.25 0.00 0.00 55.06 55.92 3hwn s HIS 208 Cb -0.00 -3.93 0.05 0.00 -1.18 0.00 0.00 32.58 27.52 3hwn s HIS 208 CO 0.49 -3.39 0.21 0.00 -0.65 0.00 0.00 174.74 171.41 3hwn n GLY 210 N -0.81 -0.47 0.34 0.00 0.00 -0.64 -1.50 105.19 102.10 3hwn n GLY 210 Ca -0.01 -0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.05 0.05 -0.00 -0.61 2.10 -1.61 -2.31 117.51 115.08 3hwn h ILE 211 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3hwn h ILE 211 Cb 1.36 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3hwn h ILE 211 CO 0.57 0.00 -0.28 0.00 -1.08 0.00 0.00 178.15 177.36 3hwn n ALA 212 N -2.08 2.85 0.29 0.18 0.00 -1.26 -4.48 120.51 116.00 3hwn n ALA 212 Ca -0.03 -0.27 0.17 0.00 0.00 0.00 0.00 53.44 53.32 3hwn n ALA 212 Cb 0.12 -0.26 0.82 0.00 0.00 0.00 0.00 19.45 20.12 3hwn n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hwn h SER 213 N 0.28 0.00 -0.77 0.00 0.02 -1.71 -3.35 113.55 108.03 3hwn h SER 213 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3hwn h SER 213 Cb 0.20 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.46 3hwn h SER 213 CO 0.00 0.05 -0.81 0.00 -1.14 0.00 0.00 176.83 174.93 3hwn n ALA 214 N -2.15 1.50 -2.63 3.77 0.00 -1.26 -4.75 120.51 115.00 3hwn n ALA 214 Ca -0.01 -2.34 -0.35 0.00 0.00 0.00 0.00 53.44 50.73 3hwn n ALA 214 Cb 0.24 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.31 3.76 0.15 0.00 0.00 -1.25 -3.85 121.76 119.25 3hwn s ALA 215 Ca 0.28 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 3hwn s ALA 215 Cb 0.38 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 21.34 3hwn s ALA 215 CO -0.04 0.58 0.76 -1.54 0.00 0.00 0.00 175.76 175.51 3hwn s SER 216 N -1.59 -0.39 0.07 0.00 1.04 -0.72 -0.20 113.70 111.90 3hwn s SER 216 Ca 0.29 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.32 3hwn s SER 216 Cb -0.14 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3hwn s SER 216 CO 0.16 -0.96 0.45 -0.72 0.98 0.00 0.00 173.24 173.15 3hwn s TYR 217 N -3.56 -0.32 0.57 5.02 1.13 -1.13 -1.33 117.35 117.73 3hwn s TYR 217 Ca 0.06 0.24 -0.16 0.00 -1.41 0.00 0.00 57.07 55.81 3hwn s TYR 217 Cb -0.02 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 3hwn s TYR 217 CO -0.05 -0.63 1.03 -1.25 -2.51 0.00 0.00 175.55 172.14 3hwn s PRO 218 N -2.79 3.51 -0.31 -3.49 0.04 -1.26 -1.93 135.00 128.77 3hwn s PRO 218 Ca -0.03 1.09 -0.08 0.00 0.04 0.00 0.00 61.00 62.02 3hwn s PRO 218 Cb -0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3hwn s PRO 218 CO -0.05 -0.64 0.12 0.99 0.04 0.00 0.00 177.00 177.46 3hwn s THR 219 N -2.57 4.25 0.00 1.26 2.01 -0.65 -4.86 115.64 115.10 3hwn s THR 219 Ca 0.61 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3hwn s THR 219 Cb -0.14 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3hwn s THR 219 CO 0.37 0.04 0.00 0.52 -0.69 0.00 0.00 174.62 174.86