#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hha n PRO 2 N 0.00 0.08 0.19 0.00 -0.02 -1.26 -4.92 135.00 129.07 3hha n PRO 2 Ca 0.00 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 3hha n PRO 2 Cb 0.00 -2.43 0.32 0.00 -0.02 0.00 0.00 33.50 31.37 3hha n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hha h ARG 3 N -1.06 0.00 -3.80 -0.52 3.08 -2.02 -3.44 114.38 106.62 3hha h ARG 3 Ca -0.46 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 3hha h ARG 3 Cb 1.29 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.16 3hha h ARG 3 CO 0.45 0.32 -0.53 -1.54 -1.07 0.00 0.00 179.97 177.60 3hha s SER 4 N -6.32 0.17 -0.04 7.04 1.04 -1.26 -4.46 113.70 109.87 3hha s SER 4 Ca 0.01 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 3hha s SER 4 Cb 0.10 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.45 3hha s SER 4 CO 0.68 -0.49 0.10 -0.69 0.98 0.00 0.00 173.24 173.81 3hha s VAL 5 N -2.49 -0.01 -0.31 5.02 1.01 -0.17 -4.95 120.40 118.50 3hha s VAL 5 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 3hha s VAL 5 Cb -0.02 -0.15 0.13 0.00 0.00 0.00 0.00 36.38 36.35 3hha s VAL 5 CO -0.04 0.01 0.27 -0.62 0.00 0.00 0.00 175.10 174.72 3hha s ASP 6 N 0.24 2.10 0.39 3.32 -1.08 -1.26 -1.03 116.67 119.35 3hha s ASP 6 Ca -0.02 -1.17 0.28 0.00 -0.52 0.00 0.00 52.55 51.12 3hha s ASP 6 Cb -0.03 0.25 1.31 0.00 -1.46 0.00 0.00 42.92 43.00 3hha s ASP 6 CO -0.01 -0.37 1.85 -0.50 0.52 0.00 0.00 175.17 176.66 3hha h TRP 7 N 7.93 0.00 -0.48 -5.34 4.06 -1.46 -2.21 115.95 118.45 3hha h TRP 7 Ca -0.09 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.83 3hha h TRP 7 Cb 1.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.18 3hha h TRP 7 CO 0.31 0.00 0.17 0.00 -3.56 0.00 0.00 178.44 175.36 3hha h ARG 8 N 0.00 0.70 0.00 0.49 3.08 -1.94 -2.01 114.38 114.70 3hha h ARG 8 Ca 0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3hha h ARG 8 Cb 0.25 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3hha h ARG 8 CO 0.00 0.60 -0.11 0.93 -1.07 0.00 0.00 179.97 180.32 3hha h GLU 9 N 0.69 0.00 -0.02 0.04 5.08 -1.80 -2.85 114.58 115.72 3hha h GLU 9 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hha h GLU 9 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hha h GLU 9 CO -0.01 0.11 -0.09 1.63 -1.00 0.00 0.00 179.01 179.65 3hha n LYS 10 N -3.40 1.90 -0.38 2.33 4.76 -0.78 -4.97 118.16 117.62 3hha n LYS 10 Ca -0.01 -1.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 3hha n LYS 10 Cb 0.28 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3hha n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hha n GLY 11 N 1.32 0.80 0.13 0.72 0.00 -1.08 -4.98 105.19 102.11 3hha n GLY 11 Ca 0.14 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3hha n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hha n TYR 12 N -2.38 0.00 -4.34 1.61 4.02 -1.03 -4.79 117.16 110.25 3hha n TYR 12 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3hha n TYR 12 Cb 0.00 -0.20 -0.17 0.00 -0.02 0.00 0.00 39.34 38.95 3hha n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hha s VAL 13 N -2.63 1.17 0.79 -0.72 1.01 -1.26 -3.51 120.40 115.25 3hha s VAL 13 Ca 0.22 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 3hha s VAL 13 Cb 0.19 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.53 3hha s VAL 13 CO 0.54 0.38 1.12 0.42 0.00 0.00 0.00 175.10 177.56 3hha s THR 14 N 1.06 2.80 0.95 3.92 -4.23 -1.26 -4.98 115.64 113.89 3hha s THR 14 Ca -0.07 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.59 3hha s THR 14 Cb -0.15 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.67 3hha s THR 14 CO -0.01 -0.34 0.89 -2.65 -0.54 0.00 0.00 174.62 171.97 3hha n PRO 15 N -3.31 -0.54 -1.96 3.99 -0.02 -1.26 -4.93 135.00 126.97 3hha n PRO 15 Ca 0.07 -0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3hha n PRO 15 Cb 0.58 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3hha n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hha s VAL 16 N -2.54 2.49 0.43 -1.45 1.01 -1.26 -5.03 120.40 114.05 3hha s VAL 16 Ca 0.64 0.43 0.07 0.00 0.00 0.00 0.00 61.98 63.12 3hha s VAL 16 Cb -0.22 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3hha s VAL 16 CO 0.61 0.08 0.27 -0.54 0.00 0.00 0.00 175.10 175.52 3hha s LYS 17 N -0.70 2.34 -0.15 2.72 1.02 -1.26 -4.79 119.74 118.93 3hha s LYS 17 Ca 0.58 -1.75 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 3hha s LYS 17 Cb -0.43 -2.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3hha s LYS 17 CO 0.47 -0.19 -0.03 1.21 -0.92 0.00 0.00 175.35 175.89 3hha s ASN 18 N -4.02 2.61 0.11 2.83 3.84 -1.26 -1.57 114.94 117.48 3hha s ASN 18 Ca 0.43 -0.58 0.20 0.00 0.21 0.00 0.00 52.86 53.12 3hha s ASN 18 Cb 0.01 -0.77 0.82 0.00 -0.55 0.00 0.00 41.25 40.76 3hha s ASN 18 CO 0.24 -0.21 1.62 0.00 -2.79 0.00 0.00 177.10 175.96 3hha n GLN 19 N 4.96 0.09 0.00 0.43 10.64 0.07 -4.93 117.38 128.64 3hha n GLN 19 Ca -0.11 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 3hha n GLN 19 Cb 0.48 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 3hha n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hha n GLY 20 N 0.20 1.22 1.36 2.61 0.00 -1.26 -3.48 105.19 105.84 3hha n GLY 20 Ca 0.03 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.42 3hha n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hha n GLN 21 N 6.64 3.33 -3.76 1.61 1.13 -1.26 -4.90 117.38 120.17 3hha n GLN 21 Ca 0.00 -2.24 -0.37 0.00 -1.94 0.00 0.00 57.00 52.45 3hha n GLN 21 Cb 0.00 -1.84 -0.06 0.00 0.11 0.00 0.00 30.24 28.45 3hha n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hha n GLY 23 N 2.05 3.36 1.25 0.00 0.00 -0.47 -4.52 105.19 106.86 3hha n GLY 23 Ca -0.18 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.63 3hha n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hha n SER 24 N 2.90 4.23 -0.34 1.61 3.41 -1.26 -3.10 113.62 121.07 3hha n SER 24 Ca 0.54 -3.10 0.15 0.00 -0.26 0.00 0.00 58.87 56.19 3hha n SER 24 Cb 0.66 -0.61 0.36 0.00 -0.26 0.00 0.00 64.21 64.36 3hha n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hha h TRP 26 N 0.69 0.55 -0.11 0.00 5.08 -1.83 0.26 115.95 120.59 3hha h TRP 26 Ca 0.58 0.01 -0.20 0.00 1.08 0.00 0.00 58.89 60.36 3hha h TRP 26 Cb 1.00 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 3hha h TRP 26 CO -0.00 0.30 -0.75 0.00 -1.28 0.00 0.00 178.44 176.70 3hha h ALA 27 N 1.69 0.46 -0.42 0.11 0.00 -1.20 -1.38 119.26 118.52 3hha h ALA 27 Ca 0.25 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 3hha h ALA 27 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hha h ALA 27 CO -0.07 0.73 -0.32 0.74 0.00 0.00 0.00 179.25 180.32 3hha h PHE 28 N 0.40 1.13 -0.54 0.00 -1.00 -1.12 -0.26 116.94 115.56 3hha h PHE 28 Ca -0.04 -0.32 -0.00 0.00 2.81 0.00 0.00 57.97 60.42 3hha h PHE 28 Cb 1.35 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 40.64 3hha h PHE 28 CO 0.06 1.15 0.33 1.03 -1.61 0.00 0.00 178.31 179.27 3hha h SER 29 N 0.79 0.64 -0.19 2.17 0.87 -0.95 -0.92 113.55 115.97 3hha h SER 29 Ca 0.08 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3hha h SER 29 Cb 0.92 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3hha h SER 29 CO 0.09 0.51 -0.00 0.00 -0.53 0.00 0.00 176.83 176.89 3hha h ALA 30 N 1.16 0.25 -0.57 6.23 0.00 -1.08 -1.73 119.26 123.51 3hha h ALA 30 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hha h ALA 30 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hha h ALA 30 CO -0.04 -0.03 0.15 1.79 0.00 0.00 0.00 179.25 181.12 3hha h THR 31 N 0.08 1.23 -0.59 0.00 1.35 -0.97 -0.40 112.91 113.61 3hha h THR 31 Ca 0.05 -0.82 -0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3hha h THR 31 Cb 0.39 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 3hha h THR 31 CO 0.01 0.31 0.36 1.23 -0.25 0.00 0.00 175.52 177.18 3hha h GLY 32 N 0.99 0.86 1.05 5.82 0.00 -1.00 0.29 103.07 111.07 3hha h GLY 32 Ca 0.19 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 3hha h GLY 32 CO -0.00 0.35 -0.13 0.00 0.00 0.00 0.00 176.54 176.75 3hha h ALA 33 N 1.18 0.64 -0.52 3.60 0.00 -0.90 -2.38 119.26 120.88 3hha h ALA 33 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hha h ALA 33 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hha h ALA 33 CO -0.04 0.56 0.29 -0.07 0.00 0.00 0.00 179.25 179.98 3hha h LEU 34 N 0.75 0.66 -0.75 0.00 3.38 -0.88 -1.51 115.31 116.95 3hha h LEU 34 Ca 0.11 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hha h LEU 34 Cb 0.69 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3hha h LEU 34 CO 0.05 0.56 0.41 -0.33 0.09 0.00 0.00 178.44 179.22 3hha h GLU 35 N 0.70 0.70 -0.19 1.13 5.08 -0.28 0.21 114.58 121.94 3hha h GLU 35 Ca 0.18 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hha h GLU 35 Cb 0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hha h GLU 35 CO -0.03 0.47 0.02 0.78 -1.00 0.00 0.00 179.01 179.25 3hha h GLY 36 N 0.73 0.34 1.35 -3.84 0.00 -1.19 -1.74 103.07 98.71 3hha h GLY 36 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 3hha h GLY 36 CO -0.22 0.22 -0.34 1.46 0.00 0.00 0.00 176.54 177.65 3hha h GLN 37 N 0.10 0.73 -0.74 4.80 1.08 -0.60 -1.29 115.11 119.19 3hha h GLN 37 Ca 0.06 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 3hha h GLN 37 Cb 0.33 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 3hha h GLN 37 CO 0.01 0.96 0.31 0.52 -0.95 0.00 0.00 178.83 179.67 3hha h MET 38 N 0.61 1.08 -0.31 1.46 2.86 -0.61 -1.35 114.93 118.68 3hha h MET 38 Ca 0.06 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3hha h MET 38 Cb 0.86 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3hha h MET 38 CO 0.08 0.87 0.05 0.35 1.06 0.00 0.00 176.91 179.31 3hha h PHE 39 N 1.06 0.54 -0.97 -0.22 3.57 -1.05 -0.51 116.94 119.37 3hha h PHE 39 Ca 0.25 -0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3hha h PHE 39 Cb 0.18 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 3hha h PHE 39 CO 0.02 0.59 0.60 -0.09 -2.23 0.00 0.00 178.31 177.19 3hha h ARG 40 N 0.33 0.92 -0.08 1.11 2.43 -1.04 0.34 114.38 118.38 3hha h ARG 40 Ca 0.09 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3hha h ARG 40 Cb 0.34 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hha h ARG 40 CO 0.01 0.61 -0.39 -0.22 -1.51 0.00 0.00 179.97 178.46 3hha h LYS 41 N 0.94 0.41 0.00 0.20 3.64 -0.95 -3.39 116.57 117.42 3hha h LYS 41 Ca 0.48 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hha h LYS 41 Cb 0.48 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3hha h LYS 41 CO -0.27 0.97 -0.92 0.25 -2.27 0.00 0.00 179.45 177.21 3hha n THR 42 N -4.35 0.00 -0.99 1.00 -2.24 -0.22 -5.01 114.28 102.46 3hha n THR 42 Ca -0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3hha n THR 42 Cb 0.54 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3hha n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hha n GLY 43 N 1.90 0.73 3.41 3.38 0.00 0.12 -5.03 105.19 109.69 3hha n GLY 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hha n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hha s ARG 44 N -0.03 3.51 -0.41 1.61 0.52 -1.26 -5.01 118.95 117.88 3hha s ARG 44 Ca 0.00 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 3hha s ARG 44 Cb 0.00 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.61 3hha s ARG 44 CO 0.00 0.09 0.41 -1.17 0.02 0.00 0.00 175.30 174.65 3hha s LEU 45 N 0.74 4.85 -0.10 2.53 2.96 -1.26 -3.63 118.68 124.77 3hha s LEU 45 Ca -0.03 -0.66 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 3hha s LEU 45 Cb -0.15 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.22 3hha s LEU 45 CO 0.02 -0.53 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.79 3hha s ILE 46 N 2.05 1.11 0.19 6.68 1.01 -1.26 -5.09 121.20 125.89 3hha s ILE 46 Ca 0.11 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 3hha s ILE 46 Cb -0.17 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.12 3hha s ILE 46 CO 0.13 0.37 1.48 -0.55 0.00 0.00 0.00 174.94 176.37 3hha s SER 47 N 1.29 6.66 0.20 3.58 0.15 -1.26 -4.84 113.70 119.48 3hha s SER 47 Ca -0.02 2.58 0.06 0.00 0.70 0.00 0.00 55.95 59.26 3hha s SER 47 Cb -0.14 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 3hha s SER 47 CO -0.04 -0.74 0.18 -0.76 1.20 0.00 0.00 173.24 173.08 3hha s LEU 48 N 0.53 3.88 -0.55 3.45 1.43 -1.26 -0.70 118.68 125.46 3hha s LEU 48 Ca 0.65 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 53.35 3hha s LEU 48 Cb -0.42 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.38 3hha s LEU 48 CO 0.36 0.02 1.05 -0.55 0.23 0.00 0.00 176.35 177.45 3hha s SER 49 N -3.44 6.42 0.30 2.29 0.15 -0.55 -4.06 113.70 114.81 3hha s SER 49 Ca 0.32 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.91 3hha s SER 49 Cb -0.09 -2.49 0.46 0.00 -1.71 0.00 0.00 66.02 62.19 3hha s SER 49 CO 0.25 -1.30 1.82 -0.33 1.20 0.00 0.00 173.24 174.87 3hha h GLU 50 N 9.37 0.67 -0.77 5.44 3.07 -1.87 -3.05 114.58 127.44 3hha h GLU 50 Ca -0.25 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 3hha h GLU 50 Cb 1.07 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 3hha h GLU 50 CO 1.12 0.68 0.45 0.37 -1.40 0.00 0.00 179.01 180.23 3hha h GLN 51 N 0.63 1.04 -0.76 2.33 5.75 -1.84 -0.46 115.11 121.81 3hha h GLN 51 Ca 0.13 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3hha h GLN 51 Cb 0.38 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 3hha h GLN 51 CO 0.01 0.74 0.46 -0.97 -2.65 0.00 0.00 178.83 176.43 3hha h ASN 52 N 1.06 0.74 -0.32 -0.69 -0.73 -1.78 0.23 115.58 114.09 3hha h ASN 52 Ca 0.27 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.37 3hha h ASN 52 Cb -0.03 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 3hha h ASN 52 CO -0.05 0.50 -0.14 -0.07 -0.37 0.00 0.00 177.43 177.30 3hha h LEU 53 N 0.88 0.67 -0.50 0.34 3.38 -1.29 -1.71 115.31 117.08 3hha h LEU 53 Ca 0.32 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hha h LEU 53 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3hha h LEU 53 CO -0.14 0.92 0.33 0.58 0.09 0.00 0.00 178.44 180.22 3hha h VAL 54 N 0.42 1.12 0.00 1.22 2.07 -0.66 -2.29 116.25 118.14 3hha h VAL 54 Ca 0.07 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 3hha h VAL 54 Cb 0.66 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3hha h VAL 54 CO 0.04 0.12 -0.61 0.44 0.02 0.00 0.00 177.57 177.58 3hha h ASP 55 N 0.68 0.00 0.00 0.57 3.32 -0.98 -3.39 116.42 116.62 3hha h ASP 55 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hha h ASP 55 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hha h ASP 55 CO -0.04 0.61 -1.03 0.00 -1.72 0.00 0.00 179.24 177.06 3hha n SER 57 N -1.55 4.17 -0.21 0.00 3.41 -0.87 -4.31 113.62 114.26 3hha n SER 57 Ca -0.00 -2.58 0.01 0.00 -0.26 0.00 0.00 58.87 56.04 3hha n SER 57 Cb 0.08 -0.60 0.13 0.00 -0.26 0.00 0.00 64.21 63.56 3hha n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hha h GLY 58 N 4.39 0.90 2.00 5.00 0.00 -1.82 -2.44 103.07 111.09 3hha h GLY 58 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3hha h GLY 58 CO 0.31 -0.06 -0.02 -2.55 0.00 0.00 0.00 176.54 174.22 3hha h PRO 59 N 0.38 0.00 -0.00 4.80 0.11 -1.87 0.15 132.00 135.57 3hha h PRO 59 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3hha h PRO 59 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3hha h PRO 59 CO -0.35 0.02 -0.18 1.04 -0.21 0.00 0.00 178.00 178.32 3hha n GLN 60 N -3.64 0.25 0.00 1.05 3.00 -0.95 -4.91 117.38 112.17 3hha n GLN 60 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3hha n GLN 60 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 3hha n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hha n GLY 61 N 1.42 1.04 3.86 1.08 0.00 0.04 -4.82 105.19 107.80 3hha n GLY 61 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3hha n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hha s ASN 62 N -0.50 6.30 -0.19 1.61 0.01 -1.01 -4.92 114.94 116.25 3hha s ASN 62 Ca 0.00 1.49 0.15 0.00 -0.71 0.00 0.00 52.86 53.79 3hha s ASN 62 Cb 0.00 -2.49 0.45 0.00 0.41 0.00 0.00 41.25 39.62 3hha s ASN 62 CO 0.00 -0.82 1.18 -0.62 -1.51 0.00 0.00 177.10 175.33 3hha n GLU 63 N -2.38 1.79 0.00 -0.60 1.02 0.18 -4.06 120.64 116.58 3hha n GLU 63 Ca 0.06 -3.28 0.00 0.00 -0.02 0.00 0.00 57.16 53.93 3hha n GLU 63 Cb 0.54 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3hha n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hha n GLY 64 N -0.56 3.59 0.00 0.62 0.00 -1.21 -0.72 105.19 106.91 3hha n GLY 64 Ca 0.21 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3hha n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hha n ASN 66 N -1.28 2.55 0.00 0.00 3.02 0.10 -1.37 115.26 118.28 3hha n ASN 66 Ca 0.09 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3hha n ASN 66 Cb 0.15 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3hha n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hha n GLY 67 N 1.30 2.23 0.00 7.41 0.00 -1.05 -4.90 105.19 110.18 3hha n GLY 67 Ca 0.17 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3hha n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 68 N -0.37 -1.21 3.06 -0.02 0.00 -1.26 -0.65 105.19 104.74 3hha n GLY 68 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 3hha n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hha s LEU 69 N 0.00 2.02 0.29 0.99 1.43 -1.26 -4.76 118.68 117.39 3hha s LEU 69 Ca 0.00 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3hha s LEU 69 Cb 0.00 -0.57 0.40 0.00 0.03 0.00 0.00 46.19 46.05 3hha s LEU 69 CO 0.00 0.14 1.95 0.24 0.23 0.00 0.00 176.35 178.91 3hha h MET 70 N 5.88 1.12 -0.41 1.70 2.86 -1.98 -2.14 114.93 121.96 3hha h MET 70 Ca -0.32 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.17 3hha h MET 70 Cb 1.17 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3hha h MET 70 CO 0.49 0.75 -0.04 -0.44 1.06 0.00 0.00 176.91 178.73 3hha h ASP 71 N 1.15 0.65 -0.53 1.22 3.32 -1.96 -0.50 116.42 119.77 3hha h ASP 71 Ca 0.31 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3hha h ASP 71 Cb -0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3hha h ASP 71 CO -0.06 0.75 0.12 1.88 -1.72 0.00 0.00 179.24 180.21 3hha h TYR 72 N 0.63 0.94 -0.53 4.55 0.05 -1.72 -0.42 116.97 120.47 3hha h TYR 72 Ca 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3hha h TYR 72 Cb 0.46 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3hha h TYR 72 CO 0.02 0.79 0.28 0.00 -1.05 0.00 0.00 178.16 178.20 3hha h ALA 73 N 1.27 0.68 -0.54 3.88 0.00 -0.75 -0.79 119.26 123.01 3hha h ALA 73 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hha h ALA 73 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hha h ALA 73 CO 0.00 0.22 0.10 0.74 0.00 0.00 0.00 179.25 180.31 3hha h PHE 74 N 0.71 0.89 -0.72 0.00 0.04 -0.79 -1.95 116.94 115.11 3hha h PHE 74 Ca 0.19 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3hha h PHE 74 Cb 0.08 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3hha h PHE 74 CO -0.01 0.76 0.23 0.37 -0.60 0.00 0.00 178.31 179.06 3hha h GLN 75 N 0.81 1.12 -0.32 1.51 5.75 -0.87 -2.43 115.11 120.68 3hha h GLN 75 Ca 0.17 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3hha h GLN 75 Cb 0.35 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3hha h GLN 75 CO 0.01 0.95 0.18 -0.92 -2.65 0.00 0.00 178.83 176.39 3hha h TYR 76 N 1.06 0.33 -0.93 3.99 3.20 -0.49 0.66 116.97 124.78 3hha h TYR 76 Ca 0.23 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hha h TYR 76 Cb 0.30 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 3hha h TYR 76 CO 0.02 0.19 0.59 0.28 -1.64 0.00 0.00 178.16 177.61 3hha h VAL 77 N 0.36 1.25 0.15 1.81 2.07 -1.10 0.15 116.25 120.95 3hha h VAL 77 Ca 0.13 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3hha h VAL 77 Cb 0.02 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3hha h VAL 77 CO -0.07 0.25 -0.07 -0.61 0.02 0.00 0.00 177.57 177.08 3hha h GLN 78 N 1.27 -0.20 -0.93 1.57 4.15 -1.12 -0.83 115.11 119.03 3hha h GLN 78 Ca 0.34 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.81 3hha h GLN 78 Cb -0.11 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 3hha h GLN 78 CO -0.07 0.04 0.60 -0.44 -1.93 0.00 0.00 178.83 177.03 3hha h ASP 79 N -0.41 1.00 1.78 -0.69 3.32 -0.55 -2.82 116.42 118.04 3hha h ASP 79 Ca -0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3hha h ASP 79 Cb 0.33 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hha h ASP 79 CO 0.03 0.68 -0.23 -1.13 -1.72 0.00 0.00 179.24 176.88 3hha h ASN 80 N 1.16 0.00 -0.17 6.45 -1.24 -0.66 -3.47 115.58 117.64 3hha h ASN 80 Ca 0.37 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.31 3hha h ASN 80 Cb 0.02 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3hha h ASN 80 CO -0.13 0.11 -0.07 0.61 -1.29 0.00 0.00 177.43 176.66 3hha n GLY 81 N 1.14 0.66 0.00 1.57 0.00 -0.35 -4.97 105.19 103.25 3hha n GLY 81 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3hha n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 82 N -2.46 0.58 3.35 -0.02 0.00 -1.03 -4.91 105.19 100.71 3hha n GLY 82 Ca -0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3hha n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hha s LEU 83 N 0.00 -0.17 0.66 0.99 2.96 -0.99 -4.66 118.68 117.46 3hha s LEU 83 Ca 0.00 1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 54.79 3hha s LEU 83 Cb 0.00 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.26 3hha s LEU 83 CO 0.00 -0.19 1.06 -1.81 -1.32 0.00 0.00 176.35 174.09 3hha s ASP 84 N 1.19 5.49 0.62 3.68 1.01 -1.26 -1.07 116.67 126.33 3hha s ASP 84 Ca -0.08 1.72 -0.17 0.00 0.71 0.00 0.00 52.55 54.74 3hha s ASP 84 Cb -0.07 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3hha s ASP 84 CO -0.11 -1.37 1.14 -0.94 0.21 0.00 0.00 175.17 174.10 3hha s SER 85 N -3.31 5.23 0.23 0.27 1.04 -1.13 -1.49 113.70 114.55 3hha s SER 85 Ca 0.61 2.13 -0.06 0.00 0.48 0.00 0.00 55.95 59.11 3hha s SER 85 Cb -0.15 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 63.77 3hha s SER 85 CO 0.47 -1.55 1.77 -0.08 0.98 0.00 0.00 173.24 174.83 3hha h GLU 86 N 0.48 0.58 -0.50 4.02 4.57 -1.06 -1.86 114.58 120.81 3hha h GLU 86 Ca -0.48 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3hha h GLU 86 Cb 1.26 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 3hha h GLU 86 CO 0.55 0.38 0.30 1.49 -1.18 0.00 0.00 179.01 180.55 3hha h GLU 87 N 0.60 0.59 0.00 1.92 4.81 -1.93 -2.02 114.58 118.55 3hha h GLU 87 Ca 0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3hha h GLU 87 Cb 0.42 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3hha h GLU 87 CO -0.29 0.39 -0.42 0.66 -0.73 0.00 0.00 179.01 178.61 3hha h SER 88 N 0.60 0.00 -1.67 1.04 4.64 -1.87 -3.38 113.55 112.92 3hha h SER 88 Ca 0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.02 3hha h SER 88 Cb 0.01 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.75 3hha h SER 88 CO -0.08 0.42 -1.02 0.00 -0.87 0.00 0.00 176.83 175.28 3hha n TYR 89 N -3.49 -0.79 -1.15 4.77 4.19 -0.73 -5.00 117.16 114.96 3hha n TYR 89 Ca 0.00 -3.30 -0.29 0.00 3.31 0.00 0.00 57.90 57.62 3hha n TYR 89 Cb 0.56 -0.04 0.16 0.00 0.49 0.00 0.00 39.34 40.50 3hha n TYR 89 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3hha s PRO 90 N -1.02 0.84 -0.06 2.98 0.04 -0.78 -4.47 135.00 132.53 3hha s PRO 90 Ca 0.35 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 3hha s PRO 90 Cb 0.20 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 3hha s PRO 90 CO -0.13 -2.50 0.85 -0.47 0.04 0.00 0.00 177.00 174.79 3hha s TYR 91 N -2.91 3.58 -0.44 0.56 5.04 -1.26 -4.71 117.35 117.20 3hha s TYR 91 Ca 0.64 1.44 0.08 0.00 -2.44 0.00 0.00 57.07 56.80 3hha s TYR 91 Cb -0.19 -2.98 -0.07 0.00 0.35 0.00 0.00 41.96 39.07 3hha s TYR 91 CO 0.58 -0.03 0.37 0.39 -1.34 0.00 0.00 175.55 175.52 3hha n GLU 92 N 4.15 4.02 -2.30 4.97 -0.58 -1.26 -5.01 120.64 124.63 3hha n GLU 92 Ca 0.03 -0.11 -0.20 0.00 -0.42 0.00 0.00 57.16 56.46 3hha n GLU 92 Cb 0.51 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 30.46 3hha n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hha n ALA 93 N -1.01 -0.60 -3.49 0.62 0.00 -1.26 -4.97 120.51 109.81 3hha n ALA 93 Ca 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 3hha n ALA 93 Cb 0.13 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.40 3hha n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hha s THR 94 N -2.96 0.01 0.09 0.00 -1.32 -1.26 -4.51 115.64 105.70 3hha s THR 94 Ca 0.00 -0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.12 3hha s THR 94 Cb 0.00 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 3hha s THR 94 CO 0.00 -0.03 0.97 -0.70 -2.21 0.00 0.00 174.62 172.64 3hha s GLU 95 N -0.66 4.67 0.25 7.08 2.12 -1.26 -4.97 118.70 125.94 3hha s GLU 95 Ca -0.07 1.45 0.04 0.00 0.36 0.00 0.00 54.97 56.76 3hha s GLU 95 Cb -0.02 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3hha s GLU 95 CO 0.06 0.17 0.16 0.39 -0.54 0.00 0.00 175.26 175.50 3hha n GLU 96 N 2.96 0.44 -1.64 4.30 1.02 -1.26 -5.07 120.64 121.39 3hha n GLU 96 Ca 0.03 -2.38 -0.35 0.00 -0.02 0.00 0.00 57.16 54.44 3hha n GLU 96 Cb 0.49 1.69 0.07 0.00 -0.02 0.00 0.00 31.44 33.68 3hha n GLU 96 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hha s SER 97 N -2.69 4.59 0.15 1.62 1.04 -1.26 -4.49 113.70 112.65 3hha s SER 97 Ca 0.23 2.33 -0.34 0.00 0.48 0.00 0.00 55.95 58.65 3hha s SER 97 Cb 0.01 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.40 3hha s SER 97 CO 0.16 -2.00 1.52 0.00 0.98 0.00 0.00 173.24 173.90 3hha n LYS 99 N 3.17 1.05 -1.71 0.00 5.02 -1.26 -5.08 118.16 119.35 3hha n LYS 99 Ca 0.17 -2.48 -0.43 0.00 -2.02 0.00 0.00 58.31 53.55 3hha n LYS 99 Cb 0.27 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3hha n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hha n TYR 100 N -0.97 2.57 -3.93 2.13 9.36 -1.26 -4.99 117.16 120.06 3hha n TYR 100 Ca 0.13 0.28 -0.29 0.00 3.32 0.00 0.00 57.90 61.34 3hha n TYR 100 Cb 0.70 -2.56 -0.16 0.00 -0.63 0.00 0.00 39.34 36.69 3hha n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hha s ASN 101 N 0.57 3.26 0.62 2.98 3.84 -1.26 -5.02 114.94 119.93 3hha s ASN 101 Ca 0.68 -0.86 0.37 0.00 0.21 0.00 0.00 52.86 53.26 3hha s ASN 101 Cb -0.56 -1.08 2.04 0.00 -0.55 0.00 0.00 41.25 41.10 3hha s ASN 101 CO 0.45 -0.19 2.27 1.55 -2.79 0.00 0.00 177.10 178.40 3hha h PRO 102 N 8.03 0.00 -0.22 0.43 0.13 -1.99 -1.95 132.00 136.43 3hha h PRO 102 Ca -0.24 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3hha h PRO 102 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3hha h PRO 102 CO 0.43 0.02 0.15 -0.22 -0.23 0.00 0.00 178.00 178.15 3hha h LYS 103 N 0.00 0.20 -0.44 0.86 3.64 -2.02 -2.64 116.57 116.16 3hha h LYS 103 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hha h LYS 103 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3hha h LYS 103 CO 0.00 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.97 3hha n TYR 104 N -4.50 1.30 -2.18 1.91 4.01 -0.73 -4.96 117.16 112.01 3hha n TYR 104 Ca 0.01 -0.73 -0.42 0.00 -0.16 0.00 0.00 57.90 56.60 3hha n TYR 104 Cb 0.15 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 3hha n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hha s SER 105 N -1.29 6.85 0.00 7.72 0.15 -1.00 -2.83 113.70 123.29 3hha s SER 105 Ca 0.45 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.49 3hha s SER 105 Cb 0.33 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3hha s SER 105 CO 0.15 -0.60 0.79 1.33 1.20 0.00 0.00 173.24 176.11 3hha n VAL 106 N 3.18 0.59 -3.71 4.45 0.24 -0.23 -4.92 118.33 117.92 3hha n VAL 106 Ca 0.08 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 3hha n VAL 106 Cb 0.42 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 3hha n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hha s ALA 107 N -0.59 -0.81 0.15 2.33 0.00 -1.21 -5.01 121.76 116.63 3hha s ALA 107 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3hha s ALA 107 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3hha s ALA 107 CO 0.00 -0.48 0.27 -0.80 0.00 0.00 0.00 175.76 174.76 3hha s ASN 108 N -2.23 0.04 0.10 0.00 0.01 -1.26 -2.34 114.94 109.25 3hha s ASN 108 Ca -0.03 -0.79 -0.14 0.00 -0.71 0.00 0.00 52.86 51.19 3hha s ASN 108 Cb 0.00 0.42 0.03 0.00 0.41 0.00 0.00 41.25 42.11 3hha s ASN 108 CO -0.05 -0.86 0.35 1.51 -1.51 0.00 0.00 177.10 176.54 3hha s ASP 109 N -2.93 -0.15 -0.24 -1.22 1.47 -1.26 -4.80 116.67 107.53 3hha s ASP 109 Ca 0.13 -0.35 0.10 0.00 1.18 0.00 0.00 52.55 53.61 3hha s ASP 109 Cb 0.03 0.43 0.45 0.00 -0.34 0.00 0.00 42.92 43.50 3hha s ASP 109 CO -0.03 -0.79 1.31 0.00 0.68 0.00 0.00 175.17 176.34 3hha n ALA 110 N -0.06 3.94 0.00 2.11 0.00 0.98 -3.94 120.51 123.54 3hha n ALA 110 Ca -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.01 3hha n ALA 110 Cb 0.63 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3hha n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 111 N -1.12 0.55 3.39 0.00 0.00 -1.25 -4.86 105.19 101.91 3hha n GLY 111 Ca 0.25 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 3hha n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 112 N -0.44 -0.03 -0.13 1.61 -0.71 -1.26 -0.83 117.98 116.20 3hha s PHE 112 Ca 0.00 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 55.59 3hha s PHE 112 Cb 0.00 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 42.06 3hha s PHE 112 CO 0.00 -0.78 -0.16 0.08 -1.34 0.00 0.00 175.22 173.03 3hha s VAL 113 N -3.87 1.58 0.00 -2.49 1.01 0.45 -4.83 120.40 112.26 3hha s VAL 113 Ca 0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3hha s VAL 113 Cb 0.01 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3hha s VAL 113 CO -0.06 0.46 0.54 -1.81 0.00 0.00 0.00 175.10 174.23 3hha s ASP 114 N 1.15 6.94 -0.06 3.32 1.01 -1.26 -1.59 116.67 126.17 3hha s ASP 114 Ca -0.02 1.11 -0.07 0.00 0.71 0.00 0.00 52.55 54.28 3hha s ASP 114 Cb -0.14 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3hha s ASP 114 CO -0.05 0.17 0.21 -0.63 0.21 0.00 0.00 175.17 175.08 3hha s ILE 115 N -0.47 5.39 0.79 0.77 1.01 -0.56 -5.00 121.20 123.13 3hha s ILE 115 Ca 0.29 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.03 3hha s ILE 115 Cb -0.18 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.84 3hha s ILE 115 CO 0.16 0.52 0.98 -2.65 0.00 0.00 0.00 174.94 173.95 3hha n PRO 116 N 1.62 0.23 -1.27 2.79 -0.02 -1.26 -4.60 135.00 132.49 3hha n PRO 116 Ca -0.16 0.14 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 3hha n PRO 116 Cb 0.54 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 3hha n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hha n LYS 117 N -2.46 3.23 -3.82 -0.52 5.02 -1.26 -4.61 118.16 113.74 3hha n LYS 117 Ca 0.12 -1.94 -0.13 0.00 -2.02 0.00 0.00 58.31 54.35 3hha n LYS 117 Cb 0.50 -2.53 -0.14 0.00 -0.02 0.00 0.00 35.03 32.84 3hha n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hha s GLN 118 N 1.49 0.09 0.47 1.97 1.11 -1.25 -4.83 119.66 118.70 3hha s GLN 118 Ca 0.68 0.17 0.17 0.00 0.01 0.00 0.00 55.36 56.38 3hha s GLN 118 Cb 0.23 -0.01 1.11 0.00 -1.01 0.00 0.00 33.01 33.34 3hha s GLN 118 CO -0.05 -0.05 2.02 0.93 0.01 0.00 0.00 175.29 178.16 3hha h GLU 119 N 6.29 0.00 -0.55 2.91 5.08 -1.89 -1.41 114.58 125.02 3hha h GLU 119 Ca -0.29 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 3hha h GLU 119 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3hha h GLU 119 CO 0.45 0.16 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.39 3hha h LYS 120 N 0.00 0.94 -0.39 2.33 3.64 -1.96 -0.90 116.57 120.23 3hha h LYS 120 Ca -0.00 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 3hha h LYS 120 Cb 0.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3hha h LYS 120 CO 0.02 0.94 -0.30 0.00 -2.27 0.00 0.00 179.45 177.84 3hha h ALA 121 N 1.12 0.73 -0.71 5.00 0.00 -1.70 -2.04 119.26 121.66 3hha h ALA 121 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hha h ALA 121 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hha h ALA 121 CO 0.03 0.66 0.43 1.25 0.00 0.00 0.00 179.25 181.61 3hha h LEU 122 N 0.72 0.86 -0.50 0.00 5.85 -1.11 -1.53 115.31 119.60 3hha h LEU 122 Ca 0.08 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hha h LEU 122 Cb 0.85 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3hha h LEU 122 CO 0.07 0.67 0.27 -0.03 -0.34 0.00 0.00 178.44 179.08 3hha h MET 123 N 0.97 0.70 -0.96 1.25 4.05 -0.97 -0.27 114.93 119.71 3hha h MET 123 Ca 0.25 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3hha h MET 123 Cb -0.03 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.59 3hha h MET 123 CO -0.05 0.55 0.58 0.87 0.23 0.00 0.00 176.91 179.10 3hha h LYS 124 N 0.66 1.29 -0.29 0.39 1.57 -1.17 -0.15 116.57 118.88 3hha h LYS 124 Ca 0.17 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3hha h LYS 124 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3hha h LYS 124 CO -0.03 0.90 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 3hha h ALA 125 N 1.32 0.39 -0.65 3.86 0.00 -0.78 -1.43 119.26 121.97 3hha h ALA 125 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hha h ALA 125 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hha h ALA 125 CO -0.07 0.13 0.41 0.28 0.00 0.00 0.00 179.25 180.00 3hha h VAL 126 N 0.30 1.18 -0.47 0.00 2.07 -0.78 0.10 116.25 118.65 3hha h VAL 126 Ca 0.08 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3hha h VAL 126 Cb 0.42 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3hha h VAL 126 CO 0.01 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.83 3hha h ALA 127 N 1.22 1.19 0.00 1.67 0.00 -0.82 -3.21 119.26 119.31 3hha h ALA 127 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hha h ALA 127 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hha h ALA 127 CO -0.05 0.54 -1.33 0.25 0.00 0.00 0.00 179.25 178.66 3hha n THR 128 N -4.25 0.00 -0.05 0.00 -2.24 -0.56 -4.74 114.28 102.45 3hha n THR 128 Ca 0.03 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 3hha n THR 128 Cb 0.26 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 3hha n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hha n VAL 129 N -1.78 0.66 0.00 2.28 0.31 0.33 -5.06 118.33 115.07 3hha n VAL 129 Ca -0.01 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3hha n VAL 129 Cb 0.35 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3hha n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hha n GLY 130 N 2.38 0.75 3.71 2.92 0.00 -1.21 -4.91 105.19 108.82 3hha n GLY 130 Ca -0.19 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 3hha n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hha n PRO 131 N 0.00 2.13 -5.08 1.61 -0.02 -1.26 -4.41 135.00 127.97 3hha n PRO 131 Ca 0.00 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 3hha n PRO 131 Cb 0.00 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 30.92 3hha n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hha s ILE 132 N -1.13 1.82 0.12 4.25 -1.09 -0.28 -4.73 121.20 120.15 3hha s ILE 132 Ca 0.57 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.78 3hha s ILE 132 Cb -0.54 -1.57 -0.07 0.00 -1.58 0.00 0.00 42.46 38.70 3hha s ILE 132 CO 0.61 0.51 1.28 -0.44 -1.23 0.00 0.00 174.94 175.67 3hha s SER 133 N 0.21 6.96 0.06 3.58 0.01 -0.25 -0.67 113.70 123.61 3hha s SER 133 Ca -0.12 2.21 -0.00 0.00 1.31 0.00 0.00 55.95 59.35 3hha s SER 133 Cb -0.16 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3hha s SER 133 CO 0.06 -0.53 -0.04 0.68 0.41 0.00 0.00 173.24 173.82 3hha s VAL 134 N 0.79 0.33 0.03 3.43 -7.23 -0.85 -0.91 120.40 115.99 3hha s VAL 134 Ca 0.60 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 3hha s VAL 134 Cb -0.34 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 3hha s VAL 134 CO 0.32 -0.95 -0.13 0.00 -0.31 0.00 0.00 175.10 174.02 3hha s ALA 135 N -3.85 2.77 0.14 1.32 0.00 -1.24 -0.70 121.76 120.20 3hha s ALA 135 Ca 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3hha s ALA 135 Cb 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3hha s ALA 135 CO -0.08 0.59 -0.08 0.96 0.00 0.00 0.00 175.76 177.15 3hha s ILE 136 N -0.97 0.98 -0.73 0.00 -4.36 0.21 -3.91 121.20 112.42 3hha s ILE 136 Ca 0.16 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.27 3hha s ILE 136 Cb -0.11 -1.85 0.03 0.00 1.25 0.00 0.00 42.46 41.79 3hha s ILE 136 CO 0.07 -0.74 1.25 -0.62 0.24 0.00 0.00 174.94 175.13 3hha s ASP 137 N -3.14 6.16 -0.01 4.36 2.15 -0.17 -1.13 116.67 124.89 3hha s ASP 137 Ca 0.16 -0.51 0.20 0.00 0.43 0.00 0.00 52.55 52.83 3hha s ASP 137 Cb 0.04 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.69 3hha s ASP 137 CO -0.00 -1.80 1.48 0.00 -0.17 0.00 0.00 175.17 174.68 3hha n ALA 138 N 9.20 2.39 -1.27 3.66 0.00 -1.26 -4.78 120.51 128.44 3hha n ALA 138 Ca 0.02 -1.30 -0.21 0.00 0.00 0.00 0.00 53.44 51.95 3hha n ALA 138 Cb 0.49 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 3hha n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 139 N 1.33 3.87 2.97 0.00 0.00 -1.26 -4.71 105.19 107.40 3hha n GLY 139 Ca 0.22 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 3hha n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hha s HIS 140 N -0.85 0.02 0.35 1.61 3.76 -1.26 -5.05 115.29 113.87 3hha s HIS 140 Ca 0.58 -0.03 0.21 0.00 -0.15 0.00 0.00 55.06 55.67 3hha s HIS 140 Cb 0.34 -0.03 1.08 0.00 1.11 0.00 0.00 32.58 35.08 3hha s HIS 140 CO -0.13 -0.11 1.94 1.05 -0.85 0.00 0.00 174.74 176.64 3hha h GLU 141 N 5.47 0.00 -0.69 1.40 4.11 -2.00 -1.22 114.58 121.66 3hha h GLU 141 Ca -0.27 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.27 3hha h GLU 141 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3hha h GLU 141 CO 0.45 0.23 0.46 0.66 0.07 0.00 0.00 179.01 180.87 3hha h SER 142 N 0.00 0.45 -0.19 3.06 4.64 -1.96 0.12 113.55 119.67 3hha h SER 142 Ca -0.00 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3hha h SER 142 Cb 0.53 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hha h SER 142 CO 0.03 0.27 -0.39 0.15 -0.87 0.00 0.00 176.83 176.01 3hha h PHE 143 N 0.50 0.76 -1.00 4.77 3.57 -1.53 -1.81 116.94 122.21 3hha h PHE 143 Ca 0.32 -0.28 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3hha h PHE 143 Cb 0.58 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 3hha h PHE 143 CO -0.00 1.03 0.65 -0.07 -2.23 0.00 0.00 178.31 177.69 3hha h LEU 144 N 0.28 1.02 -0.87 0.59 3.38 -1.12 -2.74 115.31 115.86 3hha h LEU 144 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hha h LEU 144 Cb 0.99 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hha h LEU 144 CO 0.09 0.64 -0.13 0.49 0.09 0.00 0.00 178.44 179.62 3hha n PHE 145 N -4.51 0.00 -1.68 1.13 3.72 0.31 -4.91 117.46 111.51 3hha n PHE 145 Ca 0.16 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.12 3hha n PHE 145 Cb 0.20 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3hha n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hha n TYR 146 N -0.05 2.22 0.05 1.38 9.36 -0.69 -4.90 117.16 124.53 3hha n TYR 146 Ca 0.15 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.84 3hha n TYR 146 Cb 0.38 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 3hha n TYR 146 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hha n LYS 147 N 1.52 0.00 -3.87 2.98 3.00 -1.26 -2.21 118.16 118.32 3hha n LYS 147 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.31 3hha n LYS 147 Cb 0.33 -0.36 -0.08 0.00 0.00 0.00 0.00 35.03 34.92 3hha n LYS 147 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3hha s GLU 148 N -2.00 0.77 0.04 1.64 2.12 -1.26 -2.54 118.70 117.47 3hha s GLU 148 Ca 0.00 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.47 3hha s GLU 148 Cb 0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 3hha s GLU 148 CO 0.00 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 3hha n GLY 149 N 0.22 -2.57 3.51 -1.50 0.00 -1.26 -4.85 105.19 98.73 3hha n GLY 149 Ca -0.16 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 3hha n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hha s ILE 150 N -0.34 4.77 0.05 -0.61 1.01 -1.26 -4.05 121.20 120.77 3hha s ILE 150 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 3hha s ILE 150 Cb 0.00 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 3hha s ILE 150 CO 0.00 -0.70 1.56 -0.47 0.00 0.00 0.00 174.94 175.33 3hha s TYR 151 N 2.96 2.62 -0.10 3.97 5.04 0.24 -4.80 117.35 127.27 3hha s TYR 151 Ca 0.23 0.52 -0.05 0.00 -2.44 0.00 0.00 57.07 55.33 3hha s TYR 151 Cb -0.15 -3.86 0.05 0.00 0.35 0.00 0.00 41.96 38.35 3hha s TYR 151 CO 0.18 -3.34 0.23 0.12 -1.34 0.00 0.00 175.55 171.40 3hha s PHE 152 N 2.44 -0.30 -0.21 4.97 5.36 -1.26 -1.61 117.98 127.36 3hha s PHE 152 Ca 0.70 0.74 -0.02 0.00 -0.96 0.00 0.00 56.93 57.39 3hha s PHE 152 Cb -0.37 0.03 0.06 0.00 -0.34 0.00 0.00 43.02 42.40 3hha s PHE 152 CO 0.30 -0.22 0.01 -2.00 -1.46 0.00 0.00 175.22 171.85 3hha s GLU 153 N 1.25 0.95 0.60 10.12 2.56 -1.26 -5.03 118.70 127.89 3hha s GLU 153 Ca -0.09 -0.60 0.35 0.00 0.00 0.00 0.00 54.97 54.63 3hha s GLU 153 Cb -0.11 -2.26 1.95 0.00 2.00 0.00 0.00 34.13 35.71 3hha s GLU 153 CO -0.08 -0.63 2.24 -1.00 -0.56 0.00 0.00 175.26 175.23 3hha h PRO 154 N 8.15 0.00 -0.33 4.30 0.13 -2.05 -1.44 132.00 140.76 3hha h PRO 154 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3hha h PRO 154 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hha h PRO 154 CO 0.36 0.03 0.00 -3.47 -0.23 0.00 0.00 178.00 174.69 3hha n ASP 155 N -3.44 1.95 -4.76 1.44 2.03 -1.26 -4.95 116.55 107.55 3hha n ASP 155 Ca -0.02 -1.93 -0.36 0.00 0.52 0.00 0.00 54.79 52.99 3hha n ASP 155 Cb 0.13 -0.22 0.02 0.00 -0.72 0.00 0.00 41.12 40.33 3hha n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hha s SER 157 N -1.59 5.81 0.00 0.00 0.15 -1.26 -4.77 113.70 112.05 3hha s SER 157 Ca 0.75 0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.85 3hha s SER 157 Cb -0.29 -1.71 0.29 0.00 -1.71 0.00 0.00 66.02 62.59 3hha s SER 157 CO 0.32 0.29 1.26 -1.20 1.20 0.00 0.00 173.24 175.12 3hha n SER 158 N 1.31 1.19 -0.00 5.45 7.64 -1.26 -2.75 113.62 125.20 3hha n SER 158 Ca -0.14 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.79 3hha n SER 158 Cb 0.53 0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 64.16 3hha n SER 158 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3hha n GLU 159 N -0.83 1.73 -3.73 1.43 0.28 -1.26 -4.26 120.64 114.00 3hha n GLU 159 Ca 0.08 -0.01 -0.36 0.00 -0.16 0.00 0.00 57.16 56.72 3hha n GLU 159 Cb 0.37 -1.03 -0.10 0.00 1.43 0.00 0.00 31.44 32.12 3hha n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3hha s ASP 160 N -2.60 5.18 0.11 -1.84 1.01 -1.26 -5.08 116.67 112.20 3hha s ASP 160 Ca -0.01 -2.88 0.00 0.00 0.71 0.00 0.00 52.55 50.38 3hha s ASP 160 Cb 0.01 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 3hha s ASP 160 CO 0.05 -0.36 0.26 -0.04 0.21 0.00 0.00 175.17 175.30 3hha s MET 161 N -0.10 3.46 0.00 8.23 -1.94 -1.26 -4.48 119.30 123.21 3hha s MET 161 Ca 0.17 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 3hha s MET 161 Cb -0.20 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.65 3hha s MET 161 CO -0.03 0.55 0.21 -0.40 -0.01 0.00 0.00 175.02 175.34 3hha n ASP 162 N -0.09 0.33 -3.69 3.03 5.68 -0.29 -4.88 116.55 116.63 3hha n ASP 162 Ca -0.05 -1.04 -0.14 0.00 -0.50 0.00 0.00 54.79 53.06 3hha n ASP 162 Cb 0.52 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.36 3hha n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3hha s HIS 163 N -0.04 -0.31 -0.07 2.11 5.04 -0.79 -4.94 115.29 116.29 3hha s HIS 163 Ca 0.00 0.78 -0.21 0.00 -1.54 0.00 0.00 55.06 54.09 3hha s HIS 163 Cb 0.00 -0.07 -0.04 0.00 0.04 0.00 0.00 32.58 32.51 3hha s HIS 163 CO 0.00 -0.28 0.59 0.20 -2.34 0.00 0.00 174.74 172.91 3hha s GLY 164 N 1.90 2.54 0.08 1.59 0.00 -1.26 -0.62 107.32 111.55 3hha s GLY 164 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3hha s GLY 164 CO -0.08 0.90 0.08 3.33 0.00 0.00 0.00 173.10 177.33 3hha n VAL 165 N 3.42 0.00 -3.97 1.40 0.24 0.12 -4.51 118.33 115.04 3hha n VAL 165 Ca -0.05 -0.55 -0.24 0.00 -2.04 0.00 0.00 64.34 61.45 3hha n VAL 165 Cb 0.51 0.29 -0.17 0.00 -1.47 0.00 0.00 33.84 33.00 3hha n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hha s LEU 166 N 0.00 1.06 -0.23 1.34 2.96 -0.97 -2.00 118.68 120.85 3hha s LEU 166 Ca 0.09 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.54 3hha s LEU 166 Cb 0.00 -0.66 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 3hha s LEU 166 CO 0.06 -0.12 0.85 -0.69 -1.32 0.00 0.00 176.35 175.14 3hha s VAL 167 N 1.58 4.83 -1.46 1.68 1.01 0.16 -0.50 120.40 127.69 3hha s VAL 167 Ca 0.01 1.63 0.12 0.00 0.00 0.00 0.00 61.98 63.74 3hha s VAL 167 Cb -0.13 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.26 3hha s VAL 167 CO -0.05 -0.07 0.97 1.33 0.00 0.00 0.00 175.10 177.29 3hha n VAL 168 N 5.18 0.20 -3.57 2.92 0.24 0.65 -1.12 118.33 122.82 3hha n VAL 168 Ca 0.06 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3hha n VAL 168 Cb 0.48 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 3hha n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hha n GLY 169 N 0.69 -1.29 3.58 7.63 0.00 -1.16 -0.95 105.19 113.68 3hha n GLY 169 Ca 0.08 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3hha n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hha s TYR 170 N -3.00 -0.37 0.00 1.61 -0.85 -0.19 -0.67 117.35 113.88 3hha s TYR 170 Ca 0.00 0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 3hha s TYR 170 Cb 0.00 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3hha s TYR 170 CO 0.00 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 3hha n GLY 171 N -0.38 2.04 3.17 5.49 0.00 -0.24 -1.00 105.19 114.28 3hha n GLY 171 Ca -0.11 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3hha n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 172 N -3.44 -0.22 0.00 1.61 -0.71 -1.26 -1.63 117.98 112.33 3hha s PHE 172 Ca 0.00 0.48 0.00 0.00 -1.04 0.00 0.00 56.93 56.37 3hha s PHE 172 Cb 0.00 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 3hha s PHE 172 CO 0.00 -0.23 0.00 0.27 -1.34 0.00 0.00 175.22 173.92 3hha n ASN 180 N 2.30 0.00 -4.87 1.98 6.94 -1.26 -4.96 115.26 115.39 3hha n ASN 180 Ca -0.16 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.09 3hha n ASN 180 Cb 0.57 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 3hha n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hha s LYS 181 N 0.00 3.74 0.05 -3.83 1.02 -1.26 -4.97 119.74 114.49 3hha s LYS 181 Ca 0.00 0.58 -0.07 0.00 0.02 0.00 0.00 55.97 56.49 3hha s LYS 181 Cb 0.00 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3hha s LYS 181 CO 0.00 -0.22 0.15 1.52 -0.92 0.00 0.00 175.35 175.88 3hha s TYR 182 N -2.65 0.15 -0.04 3.18 -0.85 -0.65 -1.35 117.35 115.14 3hha s TYR 182 Ca 0.53 -0.46 -0.15 0.00 -0.52 0.00 0.00 57.07 56.47 3hha s TYR 182 Cb -0.10 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.09 3hha s TYR 182 CO 0.38 -0.43 0.40 -1.58 -1.52 0.00 0.00 175.55 172.81 3hha s TRP 183 N -2.90 3.66 -0.30 -3.49 0.52 0.10 -1.07 118.94 115.45 3hha s TRP 183 Ca -0.02 0.92 -0.16 0.00 0.02 0.00 0.00 56.10 56.86 3hha s TRP 183 Cb 0.01 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 3hha s TRP 183 CO -0.06 0.51 0.40 -1.17 0.02 0.00 0.00 176.95 176.66 3hha s LEU 184 N -0.59 4.18 -0.10 2.99 2.96 0.16 -0.74 118.68 127.55 3hha s LEU 184 Ca 0.23 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3hha s LEU 184 Cb -0.16 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.10 3hha s LEU 184 CO 0.11 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.01 3hha s VAL 185 N 2.13 1.56 -0.19 1.68 1.01 -0.18 -0.25 120.40 126.15 3hha s VAL 185 Ca 0.15 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 3hha s VAL 185 Cb -0.16 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3hha s VAL 185 CO 0.11 0.45 0.62 -0.75 0.00 0.00 0.00 175.10 175.53 3hha s LYS 186 N 0.77 4.22 0.54 2.72 2.20 0.34 -1.03 119.74 129.51 3hha s LYS 186 Ca -0.11 0.61 0.09 0.00 -0.36 0.00 0.00 55.97 56.20 3hha s LYS 186 Cb -0.16 -3.57 0.07 0.00 -1.51 0.00 0.00 37.83 32.66 3hha s LYS 186 CO 0.02 -0.21 0.74 1.21 -0.36 0.00 0.00 175.35 176.74 3hha s ASN 187 N 1.16 5.19 -0.32 1.43 3.84 -0.83 -2.28 114.94 123.14 3hha s ASN 187 Ca 0.29 -0.78 0.11 0.00 0.21 0.00 0.00 52.86 52.69 3hha s ASN 187 Cb -0.16 0.12 0.46 0.00 -0.55 0.00 0.00 41.25 41.12 3hha s ASN 187 CO 0.11 -1.22 1.13 -1.54 -2.79 0.00 0.00 177.10 172.79 3hha n SER 188 N -2.15 3.78 -0.85 -4.21 3.41 -1.26 -4.55 113.62 107.79 3hha n SER 188 Ca 0.14 -3.25 0.03 0.00 -0.26 0.00 0.00 58.87 55.53 3hha n SER 188 Cb 0.61 -0.42 0.21 0.00 -0.26 0.00 0.00 64.21 64.36 3hha n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hha n TRP 189 N -0.57 0.77 -0.02 7.33 8.01 -1.19 -0.75 117.44 131.02 3hha n TRP 189 Ca 0.31 -1.25 0.00 0.00 -1.31 0.00 0.00 57.50 55.26 3hha n TRP 189 Cb 0.85 -0.36 -0.00 0.00 -2.01 0.00 0.00 31.31 29.79 3hha n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hha n GLY 190 N -0.97 -1.73 0.11 6.99 0.00 -0.61 -4.33 105.19 104.66 3hha n GLY 190 Ca 0.25 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.89 3hha n GLY 190 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hha h GLU 191 N -0.02 0.00 -0.05 1.61 5.08 -1.86 -3.27 114.58 116.08 3hha h GLU 191 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3hha h GLU 191 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3hha h GLU 191 CO 0.00 0.00 -0.81 0.93 -1.00 0.00 0.00 179.01 178.13 3hha h GLU 192 N 0.00 0.39 -6.82 2.33 3.07 -1.89 -3.20 114.58 108.45 3hha h GLU 192 Ca 0.00 -0.35 -0.52 0.00 -0.50 0.00 0.00 59.36 57.99 3hha h GLU 192 Cb 0.76 0.09 0.04 0.00 -0.84 0.00 0.00 28.75 28.80 3hha h GLU 192 CO 0.00 1.01 0.58 -0.46 -1.40 0.00 0.00 179.01 178.74 3hha s TRP 193 N -3.47 3.27 0.00 4.33 -0.00 -1.23 -4.84 118.94 117.00 3hha s TRP 193 Ca -0.05 1.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 3hha s TRP 193 Cb 0.10 -3.53 0.00 0.00 -0.00 0.00 0.00 33.47 30.04 3hha s TRP 193 CO 0.85 -1.40 0.00 0.41 -0.00 0.00 0.00 176.95 176.81 3hha n GLY 194 N 1.18 1.23 3.37 5.86 0.00 -0.94 -0.34 105.19 115.55 3hha n GLY 194 Ca 0.01 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 3hha n GLY 194 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hha s MET 195 N 0.00 4.01 -1.37 1.61 0.23 0.11 -4.36 119.30 119.53 3hha s MET 195 Ca 0.00 -2.85 0.00 0.00 -1.03 0.00 0.00 55.69 51.81 3hha s MET 195 Cb 0.00 -4.64 0.00 0.00 -1.53 0.00 0.00 34.83 28.66 3hha s MET 195 CO 0.00 -1.38 0.00 0.41 -2.03 0.00 0.00 175.02 172.02 3hha n GLY 196 N 3.41 0.29 0.49 3.16 0.00 -1.25 -2.69 105.19 108.60 3hha n GLY 196 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hha n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 197 N -1.05 0.58 3.78 -0.02 0.00 0.54 -4.58 105.19 104.43 3hha n GLY 197 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3hha n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hha s TYR 198 N -2.33 3.03 -0.01 1.61 1.51 -1.10 -1.97 117.35 118.11 3hha s TYR 198 Ca 0.00 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 3hha s TYR 198 Cb 0.00 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 3hha s TYR 198 CO 0.00 0.54 -0.02 0.54 -1.11 0.00 0.00 175.55 175.49 3hha s VAL 199 N -2.11 0.21 -0.42 0.71 0.11 -0.19 -0.71 120.40 118.00 3hha s VAL 199 Ca 0.32 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.08 3hha s VAL 199 Cb -0.08 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 3hha s VAL 199 CO 0.24 0.07 0.63 -0.54 -3.33 0.00 0.00 175.10 172.17 3hha s LYS 200 N 0.09 3.38 -0.06 1.54 1.02 -1.26 -1.01 119.74 123.44 3hha s LYS 200 Ca -0.01 -0.28 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 3hha s LYS 200 Cb -0.03 -3.91 -0.05 0.00 -0.52 0.00 0.00 37.83 33.32 3hha s LYS 200 CO -0.00 -0.93 0.32 -1.64 -0.92 0.00 0.00 175.35 172.18 3hha s MET 201 N 2.75 3.83 0.05 1.68 -1.94 0.08 0.80 119.30 126.56 3hha s MET 201 Ca 0.22 0.22 -0.36 0.00 -1.71 0.00 0.00 55.69 54.07 3hha s MET 201 Cb -0.14 -3.24 -0.15 0.00 2.01 0.00 0.00 34.83 33.30 3hha s MET 201 CO 0.18 0.65 1.49 0.00 -0.01 0.00 0.00 175.02 177.33 3hha n ALA 202 N 2.12 -0.07 -2.45 3.03 0.00 -0.64 0.01 120.51 122.50 3hha n ALA 202 Ca -0.15 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 3hha n ALA 202 Cb 0.53 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 3hha n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hha s LYS 203 N 1.21 2.43 -1.44 0.00 2.20 -0.46 -4.53 119.74 119.15 3hha s LYS 203 Ca 0.85 -0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 55.67 3hha s LYS 203 Cb -0.87 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 3hha s LYS 203 CO 0.47 0.61 0.74 -0.25 -0.36 0.00 0.00 175.35 176.56 3hha n ASP 204 N 2.30 -6.04 -3.13 1.43 8.00 -1.26 -4.33 116.55 113.52 3hha n ASP 204 Ca -0.17 -0.34 -0.26 0.00 0.71 0.00 0.00 54.79 54.72 3hha n ASP 204 Cb 0.52 -4.80 -0.05 0.00 -0.02 0.00 0.00 41.12 36.76 3hha n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hha n ARG 205 N -4.16 2.78 -3.55 -1.24 1.74 -1.26 -4.91 116.66 106.06 3hha n ARG 205 Ca -0.08 -4.66 -0.21 0.00 -0.77 0.00 0.00 57.85 52.14 3hha n ARG 205 Cb 0.60 -2.18 0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3hha n ARG 205 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hha n ARG 206 N 0.22 -6.73 -3.46 5.56 1.74 -1.26 -3.11 116.66 109.63 3hha n ARG 206 Ca 0.30 0.80 -0.20 0.00 -0.77 0.00 0.00 57.85 57.98 3hha n ARG 206 Cb 0.42 -5.76 0.06 0.00 -1.02 0.00 0.00 32.46 26.16 3hha n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hha n ASN 207 N -3.07 -4.30 -4.73 0.55 5.15 -1.26 -4.84 115.26 102.76 3hha n ASN 207 Ca -0.18 -0.77 -0.42 0.00 -0.60 0.00 0.00 54.58 52.62 3hha n ASN 207 Cb 0.63 -4.64 -0.03 0.00 -0.53 0.00 0.00 39.78 35.21 3hha n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3hha s HIS 208 N -3.46 2.98 -1.08 1.20 5.65 -1.18 -1.32 115.29 118.08 3hha s HIS 208 Ca 0.27 0.76 0.00 0.00 0.25 0.00 0.00 55.06 56.34 3hha s HIS 208 Cb -0.05 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.41 3hha s HIS 208 CO 0.77 -3.27 0.00 0.00 -0.65 0.00 0.00 174.74 171.59 3hha n GLY 210 N 0.29 0.65 0.31 0.00 0.00 -0.44 -1.00 105.19 105.01 3hha n GLY 210 Ca -0.10 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.16 3hha n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hha h ILE 211 N 0.00 0.62 -0.22 -0.61 2.10 -1.66 0.06 117.51 117.80 3hha h ILE 211 Ca -0.08 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3hha h ILE 211 Cb 0.26 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 3hha h ILE 211 CO 0.11 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.18 3hha n ALA 212 N -2.40 2.45 0.20 0.18 0.00 -1.26 -4.52 120.51 115.15 3hha n ALA 212 Ca -0.00 -0.83 0.09 0.00 0.00 0.00 0.00 53.44 52.70 3hha n ALA 212 Cb 0.23 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 18.93 3hha n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hha h SER 213 N 4.40 0.00 -0.83 0.00 0.02 -1.26 -3.34 113.55 112.54 3hha h SER 213 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3hha h SER 213 Cb 0.95 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.22 3hha h SER 213 CO 0.00 0.15 -0.81 0.00 -1.14 0.00 0.00 176.83 175.03 3hha n ALA 214 N -2.14 1.25 -2.78 3.77 0.00 -1.26 -4.87 120.51 114.48 3hha n ALA 214 Ca 0.03 -2.36 -0.37 0.00 0.00 0.00 0.00 53.44 50.74 3hha n ALA 214 Cb 0.59 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 3hha n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hha s ALA 215 N -1.24 3.82 0.21 0.00 0.00 -1.26 -3.59 121.76 119.70 3hha s ALA 215 Ca 0.29 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.48 3hha s ALA 215 Cb 0.36 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 21.43 3hha s ALA 215 CO -0.05 0.55 0.79 -1.54 0.00 0.00 0.00 175.76 175.51 3hha s SER 216 N -0.93 -0.28 0.08 0.00 1.04 -0.09 -1.49 113.70 112.04 3hha s SER 216 Ca 0.17 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 3hha s SER 216 Cb -0.13 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3hha s SER 216 CO 0.06 -1.12 0.32 -0.72 0.98 0.00 0.00 173.24 172.76 3hha s TYR 217 N -3.65 -0.09 0.33 5.02 1.13 -0.62 -1.09 117.35 118.38 3hha s TYR 217 Ca 0.10 -0.18 -0.17 0.00 -1.41 0.00 0.00 57.07 55.41 3hha s TYR 217 Cb -0.04 0.12 -0.09 0.00 -1.10 0.00 0.00 41.96 40.85 3hha s TYR 217 CO 0.02 -0.59 0.77 -1.25 -2.51 0.00 0.00 175.55 172.00 3hha s PRO 218 N -3.31 4.07 -0.23 -3.49 0.04 -1.26 -0.41 135.00 130.40 3hha s PRO 218 Ca 0.00 0.77 -0.19 0.00 0.04 0.00 0.00 61.00 61.62 3hha s PRO 218 Cb 0.02 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3hha s PRO 218 CO -0.08 0.15 0.57 0.99 0.04 0.00 0.00 177.00 178.67 3hha s THR 219 N -1.97 5.04 0.00 1.26 2.01 -0.01 -4.86 115.64 117.12 3hha s THR 219 Ca 0.54 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.57 3hha s THR 219 Cb -0.11 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3hha s THR 219 CO 0.17 0.09 0.13 0.52 -0.69 0.00 0.00 174.62 174.85