#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg9 h LEU 12 N 0.00 0.24 -0.26 -2.67 5.85 -2.06 -1.87 115.31 114.55 2hg9 h LEU 12 Ca 0.00 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2hg9 h LEU 12 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2hg9 h LEU 12 CO 0.00 0.21 -0.54 0.00 -0.34 0.00 0.00 178.44 177.77 2hg9 h ALA 13 N 1.83 0.42 -0.78 1.25 0.00 -2.05 -2.02 119.26 117.91 2hg9 h ALA 13 Ca 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2hg9 h ALA 13 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2hg9 h ALA 13 CO -0.01 0.62 0.32 0.77 0.00 0.00 0.00 179.25 180.95 2hg9 h SER 14 N 0.59 1.05 -0.30 0.00 0.02 -1.88 -1.19 113.55 111.85 2hg9 h SER 14 Ca 0.01 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2hg9 h SER 14 Cb 1.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2hg9 h SER 14 CO 0.12 0.92 -0.09 0.25 -1.14 0.00 0.00 176.83 176.89 2hg9 h LEU 15 N 1.12 0.69 -0.21 5.07 5.85 -1.33 -2.45 115.31 124.05 2hg9 h LEU 15 Ca 0.26 -0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 2hg9 h LEU 15 Cb 0.19 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2hg9 h LEU 15 CO -0.02 0.81 -0.78 0.00 -0.34 0.00 0.00 178.44 178.11 2hg9 h ALA 16 N 1.26 0.36 -0.09 1.25 0.00 -0.67 -2.07 119.26 119.30 2hg9 h ALA 16 Ca 0.12 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2hg9 h ALA 16 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2hg9 h ALA 16 CO 0.03 0.70 -0.74 0.97 0.00 0.00 0.00 179.25 180.22 2hg9 h ILE 17 N 0.48 1.37 -0.11 0.00 6.09 -1.25 -0.29 117.51 123.80 2hg9 h ILE 17 Ca -0.05 -2.12 -0.00 0.00 -1.37 0.00 0.00 64.86 61.31 2hg9 h ILE 17 Cb 1.40 2.10 -0.01 0.00 0.47 0.00 0.00 36.82 40.78 2hg9 h ILE 17 CO 0.16 0.64 0.06 0.22 -3.07 0.00 0.00 178.15 176.15 2hg9 h TYR 18 N 0.31 0.16 -0.89 2.19 3.20 -1.42 -2.19 116.97 118.32 2hg9 h TYR 18 Ca -0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2hg9 h TYR 18 Cb 1.32 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2hg9 h TYR 18 CO 0.05 0.21 0.56 0.77 -1.64 0.00 0.00 178.16 178.11 2hg9 h SER 19 N 0.07 1.05 -0.77 -2.11 0.02 -1.31 -2.73 113.55 107.76 2hg9 h SER 19 Ca 0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2hg9 h SER 19 Cb 0.11 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2hg9 h SER 19 CO -0.01 0.78 0.39 0.15 -1.14 0.00 0.00 176.83 177.01 2hg9 h PHE 20 N 1.22 1.09 -0.22 3.45 3.57 -0.76 -0.50 116.94 124.80 2hg9 h PHE 20 Ca 0.32 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2hg9 h PHE 20 Cb -0.09 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.29 2hg9 h PHE 20 CO 0.00 0.79 -0.21 -1.49 -2.23 0.00 0.00 178.31 175.17 2hg9 h TRP 21 N 1.08 0.42 -0.11 0.41 4.06 -1.13 0.20 115.95 120.87 2hg9 h TRP 21 Ca 0.27 -0.07 -0.05 0.00 2.06 0.00 0.00 58.89 61.09 2hg9 h TRP 21 Cb 0.09 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 2hg9 h TRP 21 CO 0.01 0.57 -0.13 0.82 -3.56 0.00 0.00 178.44 176.15 2hg9 h ILE 22 N 0.35 1.36 -0.56 1.49 2.04 -1.17 -2.17 117.51 118.85 2hg9 h ILE 22 Ca 0.06 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.66 2hg9 h ILE 22 Cb 0.57 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 2hg9 h ILE 22 CO 0.04 0.38 0.28 0.15 0.00 0.00 0.00 178.15 178.99 2hg9 h PHE 23 N -0.12 0.51 -0.39 1.37 3.57 -0.86 -2.34 116.94 118.68 2hg9 h PHE 23 Ca 0.02 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2hg9 h PHE 23 Cb 0.66 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2hg9 h PHE 23 CO 0.09 0.23 -0.16 1.25 -2.23 0.00 0.00 178.31 177.49 2hg9 h LEU 24 N 0.53 0.73 -0.69 0.59 5.85 -0.42 -0.67 115.31 121.23 2hg9 h LEU 24 Ca 0.26 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2hg9 h LEU 24 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2hg9 h LEU 24 CO -0.19 0.90 0.40 0.00 -0.34 0.00 0.00 178.44 179.21 2hg9 h ALA 25 N 1.17 0.88 -0.07 1.25 0.00 -1.16 -0.70 119.26 120.63 2hg9 h ALA 25 Ca 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2hg9 h ALA 25 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2hg9 h ALA 25 CO 0.04 0.36 -0.35 0.78 0.00 0.00 0.00 179.25 180.09 2hg9 h GLY 26 N 0.94 0.15 0.86 0.00 0.00 -1.01 -1.63 103.07 102.38 2hg9 h GLY 26 Ca 0.24 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2hg9 h GLY 26 CO -0.04 0.11 -0.23 -2.00 0.00 0.00 0.00 176.54 174.38 2hg9 h LEU 27 N 0.12 0.57 -0.53 3.11 5.85 -0.66 -0.94 115.31 122.83 2hg9 h LEU 27 Ca 0.01 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 2hg9 h LEU 27 Cb 0.68 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2hg9 h LEU 27 CO 0.05 0.94 0.14 0.40 -0.34 0.00 0.00 178.44 179.63 2hg9 h ILE 28 N 0.22 1.24 -0.09 4.05 2.04 -1.06 0.15 117.51 124.06 2hg9 h ILE 28 Ca 0.03 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2hg9 h ILE 28 Cb 0.78 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2hg9 h ILE 28 CO 0.06 0.31 -0.26 0.22 0.00 0.00 0.00 178.15 178.48 2hg9 h TYR 29 N 0.73 -0.69 -0.33 1.37 3.20 -1.19 0.70 116.97 120.77 2hg9 h TYR 29 Ca 0.17 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2hg9 h TYR 29 Cb 0.31 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2hg9 h TYR 29 CO 0.02 -0.34 0.21 -0.92 -1.64 0.00 0.00 178.16 175.49 2hg9 h TYR 30 N -0.35 0.39 -0.73 -3.82 3.20 -0.72 -0.86 116.97 114.08 2hg9 h TYR 30 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2hg9 h TYR 30 Cb 0.48 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2hg9 h TYR 30 CO -0.33 0.24 0.38 -0.07 -1.64 0.00 0.00 178.16 176.74 2hg9 h LEU 31 N 0.43 0.93 -0.41 2.82 3.38 -0.29 -0.22 115.31 121.95 2hg9 h LEU 31 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2hg9 h LEU 31 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2hg9 h LEU 31 CO -0.04 0.78 -0.00 -0.61 0.09 0.00 0.00 178.44 178.66 2hg9 h GLN 32 N 1.02 0.73 -0.64 1.13 5.75 -0.49 -2.05 115.11 120.56 2hg9 h GLN 32 Ca 0.26 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 2hg9 h GLN 32 Cb 0.07 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2hg9 h GLN 32 CO -0.04 0.81 0.15 1.79 -2.65 0.00 0.00 178.83 178.89 2hg9 h THR 33 N 0.56 1.25 -0.03 2.39 1.35 -0.92 -1.17 112.91 116.33 2hg9 h THR 33 Ca 0.12 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2hg9 h THR 33 Cb 0.49 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2hg9 h THR 33 CO 0.02 0.35 0.02 -0.33 -0.25 0.00 0.00 175.52 175.33 2hg9 h GLU 34 N 0.96 0.05 -0.30 4.72 4.39 -0.77 -1.63 114.58 121.99 2hg9 h GLU 34 Ca 0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2hg9 h GLU 34 Cb 0.35 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2hg9 h GLU 34 CO 0.00 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 177.97 2hg9 n ASN 35 N -4.53 1.18 -0.83 1.42 3.02 -0.45 -3.42 115.26 111.64 2hg9 n ASN 35 Ca -0.02 -2.04 0.07 0.00 -0.03 0.00 0.00 54.58 52.56 2hg9 n ASN 35 Cb 0.09 -0.19 0.22 0.00 -0.61 0.00 0.00 39.78 39.29 2hg9 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2hg9 n MET 36 N 0.06 2.98 0.00 3.52 2.81 -0.61 -4.52 117.12 121.36 2hg9 n MET 36 Ca 0.06 -2.49 0.13 0.00 -1.81 0.00 0.00 57.70 53.60 2hg9 n MET 36 Cb 0.21 -1.59 0.69 0.00 -0.71 0.00 0.00 33.22 31.82 2hg9 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2hg9 n ARG 37 N 0.08 0.40 -4.25 0.03 1.74 -1.22 -4.44 116.66 108.99 2hg9 n ARG 37 Ca 0.17 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.11 2hg9 n ARG 37 Cb 0.68 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 2hg9 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hg9 s GLU 38 N -2.55 0.69 0.00 5.56 0.41 -1.26 -4.27 118.70 117.27 2hg9 s GLU 38 Ca 0.26 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 2hg9 s GLU 38 Cb 0.18 -0.63 0.00 0.00 -1.78 0.00 0.00 34.13 31.91 2hg9 s GLU 38 CO 0.41 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 2hg9 n GLY 39 N 2.27 1.09 3.48 -1.39 0.00 -1.26 -5.02 105.19 104.35 2hg9 n GLY 39 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2hg9 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hg9 s TYR 40 N -3.03 2.39 0.67 1.61 1.51 -1.26 -4.35 117.35 114.88 2hg9 s TYR 40 Ca 0.00 -0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 2hg9 s TYR 40 Cb 0.00 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 2hg9 s TYR 40 CO 0.00 0.56 1.15 -2.14 -1.11 0.00 0.00 175.55 174.01 2hg9 s PRO 41 N -2.97 2.66 0.58 -1.71 0.02 -1.26 -4.80 135.00 127.52 2hg9 s PRO 41 Ca 0.24 1.54 -0.20 0.00 0.02 0.00 0.00 61.00 62.60 2hg9 s PRO 41 Cb -0.07 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2hg9 s PRO 41 CO 0.13 -1.39 1.34 1.28 -0.33 0.00 0.00 177.00 178.03 2hg9 n LEU 42 N -2.36 5.70 -4.50 -5.54 4.77 -1.26 -4.92 117.00 108.89 2hg9 n LEU 42 Ca 0.12 0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 56.73 2hg9 n LEU 42 Cb 0.51 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 2hg9 n LEU 42 CO 0.47 -0.73 -0.48 -1.61 -1.33 0.00 0.00 177.39 173.71 2hg9 s GLU 43 N -3.05 1.82 0.89 3.23 2.02 -1.26 -1.36 118.70 120.99 2hg9 s GLU 43 Ca 0.75 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 2hg9 s GLU 43 Cb -0.40 -2.11 0.12 0.00 0.10 0.00 0.00 34.13 31.83 2hg9 s GLU 43 CO 0.46 0.47 1.09 -0.80 0.02 0.00 0.00 175.26 176.50 2hg9 s ASN 44 N -2.27 3.51 0.55 -0.19 0.01 1.00 -4.61 114.94 112.94 2hg9 s ASN 44 Ca 0.19 1.59 0.25 0.00 -0.71 0.00 0.00 52.86 54.18 2hg9 s ASN 44 Cb -0.10 -2.26 1.48 0.00 0.41 0.00 0.00 41.25 40.79 2hg9 s ASN 44 CO 0.11 -2.63 2.07 -0.33 -1.51 0.00 0.00 177.10 174.81 2hg9 h GLU 45 N -1.54 0.00 -0.02 -0.60 5.08 -2.01 0.40 114.58 115.89 2hg9 h GLU 45 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2hg9 h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2hg9 h GLU 45 CO 0.53 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.14 2hg9 n ASP 46 N -4.16 0.40 0.00 1.42 5.68 -1.26 -4.94 116.55 113.70 2hg9 n ASP 46 Ca 0.03 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 2hg9 n ASP 46 Cb 0.38 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2hg9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hg9 n GLY 47 N 0.99 0.67 3.91 6.12 0.00 0.13 -5.07 105.19 111.94 2hg9 n GLY 47 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2hg9 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg9 s THR 48 N -2.56 4.65 0.14 2.61 -4.23 -1.26 -4.80 115.64 110.20 2hg9 s THR 48 Ca 0.00 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 2hg9 s THR 48 Cb 0.00 -3.79 -0.10 0.00 1.34 0.00 0.00 72.50 69.95 2hg9 s THR 48 CO 0.00 -0.80 1.69 -2.84 -0.54 0.00 0.00 174.62 172.13 2hg9 s PRO 49 N -4.83 4.17 0.69 3.99 0.02 -1.26 -0.00 135.00 137.78 2hg9 s PRO 49 Ca 0.49 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.84 2hg9 s PRO 49 Cb -0.10 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 31.07 2hg9 s PRO 49 CO 0.46 -0.73 1.14 0.00 -0.33 0.00 0.00 177.00 177.54 2hg9 s ALA 50 N 1.96 2.32 0.10 -1.55 0.00 -0.47 -4.61 121.76 119.51 2hg9 s ALA 50 Ca 0.75 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 2hg9 s ALA 50 Cb -0.45 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.17 2hg9 s ALA 50 CO 0.33 -1.53 1.34 0.00 0.00 0.00 0.00 175.76 175.90 2hg9 h ALA 51 N -0.16 0.36 -2.12 0.00 0.00 -1.94 -3.40 119.26 111.99 2hg9 h ALA 51 Ca -0.47 -0.54 -0.76 0.00 0.00 0.00 0.00 54.91 53.15 2hg9 h ALA 51 Cb 1.26 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.77 2hg9 h ALA 51 CO 0.52 0.62 -0.16 1.21 0.00 0.00 0.00 179.25 181.45 2hg9 s ASN 52 N -6.94 6.23 0.00 0.00 2.47 -1.26 -4.90 114.94 110.54 2hg9 s ASN 52 Ca -0.11 -1.82 0.29 0.00 0.42 0.00 0.00 52.86 51.64 2hg9 s ASN 52 Cb 0.09 -2.22 1.22 0.00 -1.45 0.00 0.00 41.25 38.89 2hg9 s ASN 52 CO 0.88 -0.87 1.86 0.00 -3.72 0.00 0.00 177.10 175.25 2hg9 n GLN 53 N 5.29 0.66 0.00 0.43 1.13 -1.26 -4.96 117.38 118.66 2hg9 n GLN 53 Ca -0.11 -0.22 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 2hg9 n GLN 53 Cb 0.41 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.26 2hg9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hg9 n GLY 54 N 1.29 0.10 0.32 1.08 0.00 -1.26 -4.66 105.19 102.05 2hg9 n GLY 54 Ca 0.14 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.44 2hg9 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hg9 n PRO 55 N 0.21 1.22 -3.52 1.61 -0.04 -1.26 -4.83 135.00 128.39 2hg9 n PRO 55 Ca 0.00 -0.65 -0.37 0.00 -0.04 0.00 0.00 63.50 62.45 2hg9 n PRO 55 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 2hg9 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2hg9 s PHE 56 N -2.23 3.40 0.62 0.54 0.08 -1.26 -5.09 117.98 114.05 2hg9 s PHE 56 Ca 0.33 0.52 -0.09 0.00 0.12 0.00 0.00 56.93 57.81 2hg9 s PHE 56 Cb 0.20 -2.38 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2hg9 s PHE 56 CO 0.42 0.13 0.97 -1.25 -0.10 0.00 0.00 175.22 175.39 2hg9 s PRO 57 N 0.85 3.11 0.41 0.24 0.04 -1.26 -5.02 135.00 133.36 2hg9 s PRO 57 Ca 0.15 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 2hg9 s PRO 57 Cb -0.13 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2hg9 s PRO 57 CO 0.05 -0.72 1.18 -0.51 0.04 0.00 0.00 177.00 177.04 2hg9 s LEU 58 N -5.11 4.18 0.82 -3.56 1.43 -1.26 -4.84 118.68 110.33 2hg9 s LEU 58 Ca 0.55 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.90 2hg9 s LEU 58 Cb -0.11 -4.04 0.08 0.00 0.03 0.00 0.00 46.19 42.16 2hg9 s LEU 58 CO 0.49 -0.71 1.09 -2.16 0.23 0.00 0.00 176.35 175.29 2hg9 s PRO 59 N -2.33 1.87 0.29 1.29 0.04 -1.26 -4.99 135.00 129.90 2hg9 s PRO 59 Ca 0.58 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2hg9 s PRO 59 Cb -0.31 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2hg9 s PRO 59 CO 0.39 -1.84 1.59 1.17 0.04 0.00 0.00 177.00 178.35 2hg9 n LYS 60 N -3.62 2.67 -1.46 4.56 4.81 -1.26 -4.62 118.16 119.24 2hg9 n LYS 60 Ca 0.08 0.95 -0.35 0.00 -0.87 0.00 0.00 58.31 58.12 2hg9 n LYS 60 Cb 0.55 -2.73 0.09 0.00 0.02 0.00 0.00 35.03 32.96 2hg9 n LYS 60 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hg9 s PRO 61 N -0.41 2.16 0.20 1.64 0.04 -1.26 -4.70 135.00 132.66 2hg9 s PRO 61 Ca 0.65 1.85 0.10 0.00 0.04 0.00 0.00 61.00 63.64 2hg9 s PRO 61 Cb -0.50 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2hg9 s PRO 61 CO 0.48 -1.84 -0.20 -1.59 0.04 0.00 0.00 177.00 173.89 2hg9 s LYS 62 N -3.80 1.44 -0.13 4.56 -2.85 -0.11 -4.95 119.74 113.91 2hg9 s LYS 62 Ca 0.76 -1.54 0.03 0.00 -1.00 0.00 0.00 55.97 54.22 2hg9 s LYS 62 Cb -0.31 -1.55 0.01 0.00 -2.06 0.00 0.00 37.83 33.91 2hg9 s LYS 62 CO 0.45 0.31 -0.22 0.99 0.10 0.00 0.00 175.35 176.97 2hg9 s THR 63 N -2.14 2.05 -0.14 3.79 2.01 -1.26 -1.83 115.64 118.12 2hg9 s THR 63 Ca 0.21 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 2hg9 s THR 63 Cb -0.06 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2hg9 s THR 63 CO 0.09 0.55 0.35 -0.36 -0.69 0.00 0.00 174.62 174.57 2hg9 s PHE 64 N 0.67 3.49 -0.30 4.92 0.08 0.35 -4.93 117.98 122.27 2hg9 s PHE 64 Ca -0.11 0.71 -0.20 0.00 0.12 0.00 0.00 56.93 57.45 2hg9 s PHE 64 Cb -0.16 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 2hg9 s PHE 64 CO 0.01 0.24 0.61 0.42 -0.10 0.00 0.00 175.22 176.40 2hg9 s ILE 65 N 0.42 4.96 0.22 0.64 1.01 -1.26 -1.45 121.20 125.73 2hg9 s ILE 65 Ca 0.20 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 2hg9 s ILE 65 Cb -0.14 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2hg9 s ILE 65 CO 0.06 -0.11 0.76 -0.76 0.00 0.00 0.00 174.94 174.89 2hg9 s LEU 66 N 2.55 4.41 0.96 2.97 1.43 0.16 -4.99 118.68 126.17 2hg9 s LEU 66 Ca 0.24 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 2hg9 s LEU 66 Cb -0.15 -3.54 0.17 0.00 0.03 0.00 0.00 46.19 42.69 2hg9 s LEU 66 CO 0.11 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 2hg9 s PRO 67 N -1.74 0.75 -1.48 1.29 0.04 -1.26 -4.17 135.00 128.42 2hg9 s PRO 67 Ca 0.42 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 2hg9 s PRO 67 Cb -0.19 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.67 2hg9 s PRO 67 CO 0.23 -2.62 1.05 0.72 0.04 0.00 0.00 177.00 176.42 2hg9 n HIS 68 N -4.15 -2.49 -1.08 0.56 8.25 -1.26 -2.42 115.22 112.62 2hg9 n HIS 68 Ca 0.07 0.94 -0.03 0.00 -0.26 0.00 0.00 57.72 58.44 2hg9 n HIS 68 Cb 0.55 -4.31 -0.01 0.00 1.12 0.00 0.00 29.99 27.33 2hg9 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hg9 n GLY 69 N -1.80 0.52 0.05 -1.41 0.00 -1.26 -4.89 105.19 96.41 2hg9 n GLY 69 Ca 0.03 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.03 2hg9 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hg9 n ARG 70 N -1.66 1.01 0.00 1.61 5.12 -1.01 -5.01 116.66 116.71 2hg9 n ARG 70 Ca -0.03 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2hg9 n ARG 70 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 2hg9 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hg9 n GLY 71 N 1.05 0.24 3.19 -0.13 0.00 -1.26 -4.91 105.19 103.37 2hg9 n GLY 71 Ca 0.22 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 2hg9 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg9 s THR 72 N 0.00 0.26 -0.06 2.61 -4.23 -1.26 -0.67 115.64 112.29 2hg9 s THR 72 Ca 0.00 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 2hg9 s THR 72 Cb 0.00 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2hg9 s THR 72 CO 0.00 -0.38 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.35 2hg9 s LEU 73 N -3.11 1.72 -0.17 4.79 2.96 -0.53 -4.91 118.68 119.43 2hg9 s LEU 73 Ca 0.27 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2hg9 s LEU 73 Cb 0.07 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.94 2hg9 s LEU 73 CO 0.04 0.06 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.05 2hg9 s THR 74 N 0.50 2.12 -0.00 3.68 2.01 -1.26 -0.49 115.64 122.19 2hg9 s THR 74 Ca -0.12 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 60.97 2hg9 s THR 74 Cb -0.14 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2hg9 s THR 74 CO 0.03 0.54 -0.05 0.68 -0.69 0.00 0.00 174.62 175.13 2hg9 s VAL 75 N 1.16 0.41 0.57 3.82 -7.23 -0.76 -3.60 120.40 114.76 2hg9 s VAL 75 Ca 0.02 -0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 59.75 2hg9 s VAL 75 Cb -0.14 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 2hg9 s VAL 75 CO -0.09 0.09 1.09 -2.16 -0.31 0.00 0.00 175.10 173.71 2hg9 s PRO 76 N -0.19 3.34 0.13 4.82 0.04 -1.26 -0.94 135.00 140.94 2hg9 s PRO 76 Ca 0.01 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 2hg9 s PRO 76 Cb -0.02 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2hg9 s PRO 76 CO -0.00 -0.82 0.18 0.41 0.04 0.00 0.00 177.00 176.81 2hg9 n GLY 77 N -0.36 2.81 3.65 0.56 0.00 -1.24 -4.78 105.19 105.84 2hg9 n GLY 77 Ca 0.10 -1.49 -0.48 0.00 0.00 0.00 0.00 46.02 44.15 2hg9 n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hg9 n PRO 78 N -0.22 2.08 -3.18 1.61 -0.02 -1.26 -4.94 135.00 129.07 2hg9 n PRO 78 Ca 0.00 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.83 2hg9 n PRO 78 Cb 0.23 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 30.95 2hg9 n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hg9 s GLU 79 N 4.52 4.32 -0.28 -0.52 0.41 -1.26 -5.06 118.70 120.83 2hg9 s GLU 79 Ca 0.95 0.82 -0.18 0.00 -0.41 0.00 0.00 54.97 56.14 2hg9 s GLU 79 Cb -0.67 -3.30 0.10 0.00 -1.78 0.00 0.00 34.13 28.49 2hg9 s GLU 79 CO 0.50 0.48 0.81 0.45 -0.49 0.00 0.00 175.26 177.01 2hg9 s SER 80 N -0.60 -0.74 0.43 -0.19 0.15 -1.26 -5.05 113.70 106.44 2hg9 s SER 80 Ca 0.32 1.24 0.14 0.00 0.70 0.00 0.00 55.95 58.34 2hg9 s SER 80 Cb -0.19 1.29 0.93 0.00 -1.71 0.00 0.00 66.02 66.33 2hg9 s SER 80 CO 0.19 -0.20 1.94 -0.33 1.20 0.00 0.00 173.24 176.05 2hg9 h GLU 81 N 6.10 0.00 -5.95 5.44 4.39 -2.02 -3.47 114.58 119.07 2hg9 h GLU 81 Ca -0.29 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 58.96 2hg9 h GLU 81 Cb 1.20 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 2hg9 h GLU 81 CO 0.15 0.24 -0.69 -0.25 -1.16 0.00 0.00 179.01 177.30 2hg9 n ASP 82 N -4.24 -4.30 -3.58 1.42 8.00 -1.26 -4.49 116.55 108.11 2hg9 n ASP 82 Ca -0.02 -0.65 -0.10 0.00 0.71 0.00 0.00 54.79 54.73 2hg9 n ASP 82 Cb 0.29 -3.48 -0.05 0.00 -0.02 0.00 0.00 41.12 37.86 2hg9 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hg9 s ARG 83 N -6.40 0.59 0.29 -1.24 1.70 -1.26 -4.93 118.95 107.70 2hg9 s ARG 83 Ca 0.56 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.66 2hg9 s ARG 83 Cb -0.29 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.27 2hg9 s ARG 83 CO 0.69 -0.19 1.14 -1.25 -1.08 0.00 0.00 175.30 174.62 2hg9 s PRO 84 N -1.17 4.58 -0.42 3.89 0.05 -1.26 -5.02 135.00 135.66 2hg9 s PRO 84 Ca -0.01 1.89 -0.01 0.00 0.05 0.00 0.00 61.00 62.92 2hg9 s PRO 84 Cb -0.00 -3.16 0.11 0.00 0.05 0.00 0.00 34.50 31.50 2hg9 s PRO 84 CO 0.01 0.13 0.20 0.42 0.05 0.00 0.00 177.00 177.80 2hg9 s ILE 85 N -1.15 3.05 -0.75 0.56 -1.09 -1.26 -5.02 121.20 115.53 2hg9 s ILE 85 Ca 0.45 -2.29 -0.18 0.00 -2.23 0.00 0.00 60.65 56.41 2hg9 s ILE 85 Cb -0.34 -3.11 -0.14 0.00 -1.58 0.00 0.00 42.46 37.29 2hg9 s ILE 85 CO 0.44 -0.70 1.93 0.00 -1.23 0.00 0.00 174.94 175.38 2hg9 n ALA 86 N 4.32 3.50 -2.52 9.38 0.00 -1.26 -4.86 120.51 129.06 2hg9 n ALA 86 Ca 0.01 -2.87 -0.10 0.00 0.00 0.00 0.00 53.44 50.48 2hg9 n ALA 86 Cb 0.41 -3.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.30 2hg9 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hg9 s LEU 87 N 0.82 2.37 0.02 0.00 1.43 -1.26 -2.40 118.68 119.66 2hg9 s LEU 87 Ca 0.52 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2hg9 s LEU 87 Cb 0.13 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.37 2hg9 s LEU 87 CO 0.09 -0.40 0.09 0.00 0.23 0.00 0.00 176.35 176.36 2hg9 s ALA 88 N -2.61 -0.14 0.65 4.21 0.00 -0.02 -4.88 121.76 118.98 2hg9 s ALA 88 Ca -0.02 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 2hg9 s ALA 88 Cb -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2hg9 s ALA 88 CO -0.04 -0.25 1.27 1.03 0.00 0.00 0.00 175.76 177.77 2hg9 s ARG 89 N -1.97 2.55 0.00 0.00 0.52 -1.26 -0.75 118.95 118.03 2hg9 s ARG 89 Ca -0.10 2.01 0.03 0.00 -0.52 0.00 0.00 55.73 57.15 2hg9 s ARG 89 Cb -0.05 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.62 2hg9 s ARG 89 CO -0.02 -1.58 0.80 0.25 0.02 0.00 0.00 175.30 174.77 2hg9 n THR 90 N -1.96 0.40 -3.89 0.02 -2.24 -1.20 -4.75 114.28 100.67 2hg9 n THR 90 Ca 0.15 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2hg9 n THR 90 Cb 0.48 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 2hg9 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hg9 s ALA 91 N -0.57 -0.13 -2.16 6.98 0.00 -1.26 -5.06 121.76 119.55 2hg9 s ALA 91 Ca 0.05 -0.67 0.17 0.00 0.00 0.00 0.00 51.96 51.52 2hg9 s ALA 91 Cb 0.03 0.43 0.65 0.00 0.00 0.00 0.00 23.12 24.23 2hg9 s ALA 91 CO 0.05 -0.47 1.47 1.33 0.00 0.00 0.00 175.76 178.13 2hg9 n VAL 92 N 0.05 0.24 -4.18 0.00 0.24 -1.26 -4.94 118.33 108.48 2hg9 n VAL 92 Ca -0.15 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.71 2hg9 n VAL 92 Cb 0.62 0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 2hg9 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2hg9 s SER 93 N -1.40 0.52 0.50 -1.34 1.04 -1.26 -5.14 113.70 106.62 2hg9 s SER 93 Ca 0.28 -1.23 -0.23 0.00 0.48 0.00 0.00 55.95 55.25 2hg9 s SER 93 Cb 0.15 0.26 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 2hg9 s SER 93 CO 0.22 -0.71 1.32 -1.61 0.98 0.00 0.00 173.24 173.44 2hg9 s GLU 94 N -4.04 3.44 0.00 4.02 0.41 -1.26 -4.24 118.70 117.03 2hg9 s GLU 94 Ca 0.27 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 2hg9 s GLU 94 Cb 0.07 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 2hg9 s GLU 94 CO 0.04 -0.93 0.00 0.41 -0.49 0.00 0.00 175.26 174.29 2hg9 n GLY 95 N 0.64 0.88 3.86 -1.39 0.00 -1.26 -5.10 105.19 102.82 2hg9 n GLY 95 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2hg9 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg9 s PHE 96 N -2.00 2.85 0.98 1.61 0.40 -1.26 -5.11 117.98 115.45 2hg9 s PHE 96 Ca 0.00 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2hg9 s PHE 96 Cb 0.00 -1.92 0.18 0.00 0.51 0.00 0.00 43.02 41.79 2hg9 s PHE 96 CO 0.00 0.08 1.08 -2.14 0.70 0.00 0.00 175.22 174.95 2hg9 s PRO 97 N -4.04 0.59 -0.15 0.24 0.02 -1.26 -4.91 135.00 125.48 2hg9 s PRO 97 Ca 0.43 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.40 2hg9 s PRO 97 Cb -0.05 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.77 2hg9 s PRO 97 CO 0.27 -2.74 -0.13 -1.01 -0.33 0.00 0.00 177.00 173.06 2hg9 s HIS 98 N -2.76 2.16 0.09 6.54 3.76 -1.26 -3.21 115.29 120.61 2hg9 s HIS 98 Ca 0.65 -1.24 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 2hg9 s HIS 98 Cb -0.21 -1.58 -0.06 0.00 1.11 0.00 0.00 32.58 31.84 2hg9 s HIS 98 CO 0.59 -0.67 0.76 0.00 -0.85 0.00 0.00 174.74 174.57 2hg9 s ALA 99 N 1.49 3.41 0.36 -1.40 0.00 0.07 -4.68 121.76 121.00 2hg9 s ALA 99 Ca 0.04 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 2hg9 s ALA 99 Cb -0.13 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 2hg9 s ALA 99 CO -0.10 0.16 1.48 -2.30 0.00 0.00 0.00 175.76 175.00 2hg9 n PRO 100 N 2.34 2.61 0.02 0.00 -0.02 -1.26 -0.84 135.00 137.84 2hg9 n PRO 100 Ca -0.04 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.47 2hg9 n PRO 100 Cb 0.50 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 2hg9 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2hg9 n THR 101 N 0.66 0.14 -0.14 3.45 -2.24 -1.01 -4.87 114.28 110.27 2hg9 n THR 101 Ca 0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2hg9 n THR 101 Cb 0.38 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2hg9 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg9 n GLY 102 N 1.37 5.59 3.58 3.38 0.00 -1.26 -5.07 105.19 112.77 2hg9 n GLY 102 Ca 0.02 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2hg9 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hg9 s ASP 103 N 1.00 6.55 0.49 1.61 -1.08 -1.26 -4.94 116.67 119.04 2hg9 s ASP 103 Ca 0.00 0.34 0.23 0.00 -0.52 0.00 0.00 52.55 52.61 2hg9 s ASP 103 Cb 0.00 -2.40 1.28 0.00 -1.46 0.00 0.00 42.92 40.34 2hg9 s ASP 103 CO 0.00 -0.76 2.03 1.55 0.52 0.00 0.00 175.17 178.51 2hg9 h PRO 104 N 8.51 0.00 -0.08 4.34 0.13 -1.94 0.54 132.00 143.51 2hg9 h PRO 104 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2hg9 h PRO 104 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2hg9 h PRO 104 CO 0.92 0.16 -0.03 0.52 -0.23 0.00 0.00 178.00 179.34 2hg9 h MET 105 N 0.00 0.15 -0.40 0.86 2.86 -1.92 0.10 114.93 116.59 2hg9 h MET 105 Ca -0.00 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2hg9 h MET 105 Cb 0.37 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2hg9 h MET 105 CO 0.02 0.50 -0.08 0.87 1.06 0.00 0.00 176.91 179.28 2hg9 h LYS 106 N -0.20 0.68 0.00 1.72 1.57 -1.80 -3.19 116.57 115.35 2hg9 h LYS 106 Ca 0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2hg9 h LYS 106 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2hg9 h LYS 106 CO 0.01 0.75 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.75 2hg9 h ASP 107 N 0.63 0.00 -3.84 0.86 3.32 -0.89 -3.48 116.42 113.02 2hg9 h ASP 107 Ca 0.12 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2hg9 h ASP 107 Cb 0.51 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.14 2hg9 h ASP 107 CO 0.03 0.06 -0.34 0.61 -1.72 0.00 0.00 179.24 177.88 2hg9 n GLY 108 N 1.29 0.09 3.40 2.75 0.00 0.29 -4.73 105.19 108.28 2hg9 n GLY 108 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2hg9 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hg9 s VAL 109 N -3.15 0.88 0.00 1.61 -7.23 -0.78 -3.94 120.40 107.78 2hg9 s VAL 109 Ca 0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2hg9 s VAL 109 Cb -0.02 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2hg9 s VAL 109 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 2hg9 n GLY 110 N -0.62 1.98 0.00 2.32 0.00 -1.26 -1.15 105.19 106.46 2hg9 n GLY 110 Ca -0.02 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.54 2hg9 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hg9 n PRO 111 N 8.08 0.21 -0.26 1.61 -0.04 -1.26 -1.42 135.00 141.91 2hg9 n PRO 111 Ca 0.00 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 2hg9 n PRO 111 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 2hg9 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hg9 n ALA 112 N -1.22 2.46 -1.74 0.55 0.00 -0.30 -2.40 120.51 117.87 2hg9 n ALA 112 Ca 0.06 -0.87 -0.35 0.00 0.00 0.00 0.00 53.44 52.28 2hg9 n ALA 112 Cb 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.57 2hg9 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hg9 s SER 113 N -0.98 5.57 0.16 0.00 0.01 -0.51 -3.99 113.70 113.96 2hg9 s SER 113 Ca 0.33 2.19 0.05 0.00 1.31 0.00 0.00 55.95 59.83 2hg9 s SER 113 Cb 0.17 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 2hg9 s SER 113 CO 0.22 -1.33 -0.10 -1.66 0.41 0.00 0.00 173.24 170.78 2hg9 s TRP 114 N -1.80 1.36 0.12 2.43 1.48 -1.25 -4.30 118.94 116.97 2hg9 s TRP 114 Ca 0.73 -0.74 0.05 0.00 -1.06 0.00 0.00 56.10 55.07 2hg9 s TRP 114 Cb -0.25 -0.69 -0.04 0.00 -1.16 0.00 0.00 33.47 31.34 2hg9 s TRP 114 CO 0.29 0.11 0.05 0.08 -4.06 0.00 0.00 176.95 173.43 2hg9 s VAL 115 N -3.28 4.18 -1.49 -0.66 1.01 -1.26 -5.01 120.40 113.88 2hg9 s VAL 115 Ca 0.19 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2hg9 s VAL 115 Cb 0.02 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2hg9 s VAL 115 CO 0.02 0.02 2.50 0.00 0.00 0.00 0.00 175.10 177.64 2hg9 n ALA 116 N 0.17 6.48 -1.19 5.51 0.00 -1.26 -4.85 120.51 125.37 2hg9 n ALA 116 Ca -0.09 -3.82 -0.29 0.00 0.00 0.00 0.00 53.44 49.23 2hg9 n ALA 116 Cb 0.53 -3.32 0.15 0.00 0.00 0.00 0.00 19.45 16.81 2hg9 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hg9 s ARG 117 N 1.95 1.04 0.20 0.00 0.52 -1.26 -4.94 118.95 116.47 2hg9 s ARG 117 Ca 0.56 0.75 -0.32 0.00 -0.52 0.00 0.00 55.73 56.20 2hg9 s ARG 117 Cb 0.16 -1.79 -0.14 0.00 0.52 0.00 0.00 34.95 33.69 2hg9 s ARG 117 CO -0.07 -2.37 1.33 0.54 0.02 0.00 0.00 175.30 174.75 2hg9 n ARG 118 N -3.96 1.68 -1.36 3.54 1.74 -1.26 -4.13 116.66 112.89 2hg9 n ARG 118 Ca 0.07 0.60 -0.28 0.00 -0.77 0.00 0.00 57.85 57.46 2hg9 n ARG 118 Cb 0.56 -2.20 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 2hg9 n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2hg9 n ASP 119 N 2.22 7.04 -4.10 0.55 2.03 -1.26 -1.40 116.55 121.64 2hg9 n ASP 119 Ca 0.14 -2.76 -0.09 0.00 0.52 0.00 0.00 54.79 52.59 2hg9 n ASP 119 Cb 0.28 -1.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.16 2hg9 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hg9 s LEU 120 N -0.74 2.44 0.57 -2.67 1.43 -1.26 -4.92 118.68 113.53 2hg9 s LEU 120 Ca 0.64 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2hg9 s LEU 120 Cb 0.27 0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.48 2hg9 s LEU 120 CO -0.08 -0.47 1.02 -2.16 0.23 0.00 0.00 176.35 174.89 2hg9 s PRO 121 N -3.29 3.64 0.22 1.29 0.04 -1.26 -0.89 135.00 134.75 2hg9 s PRO 121 Ca 0.04 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 2hg9 s PRO 121 Cb 0.03 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2hg9 s PRO 121 CO -0.06 -0.54 1.21 -2.00 0.04 0.00 0.00 177.00 175.66 2hg9 s GLU 122 N -4.41 4.49 0.13 4.56 2.12 -1.26 -4.87 118.70 119.46 2hg9 s GLU 122 Ca 0.59 1.93 0.05 0.00 0.36 0.00 0.00 54.97 57.90 2hg9 s GLU 122 Cb -0.12 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2hg9 s GLU 122 CO 0.40 -0.07 0.05 -0.51 -0.54 0.00 0.00 175.26 174.59 2hg9 s LEU 123 N -0.61 3.58 0.00 2.70 1.43 -1.26 -0.77 118.68 123.74 2hg9 s LEU 123 Ca 0.51 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2hg9 s LEU 123 Cb -0.34 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.68 2hg9 s LEU 123 CO 0.39 0.12 0.27 -0.90 0.23 0.00 0.00 176.35 176.46 2hg9 n ASP 124 N 0.10 0.30 0.28 2.29 5.68 0.08 -4.73 116.55 120.55 2hg9 n ASP 124 Ca -0.09 -1.27 0.13 0.00 -0.50 0.00 0.00 54.79 53.06 2hg9 n ASP 124 Cb 0.53 -0.18 0.80 0.00 -1.14 0.00 0.00 41.12 41.14 2hg9 n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2hg9 h GLY 125 N -0.20 0.00 -2.44 6.12 0.00 -2.00 0.09 103.07 104.65 2hg9 h GLY 125 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2hg9 h GLY 125 CO 0.09 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.05 2hg9 n HIS 126 N -3.76 0.65 -0.94 5.60 8.25 -1.26 -4.96 115.22 118.81 2hg9 n HIS 126 Ca -0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2hg9 n HIS 126 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2hg9 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hg9 n GLY 127 N 1.56 0.50 3.91 -1.41 0.00 0.02 -5.05 105.19 104.73 2hg9 n GLY 127 Ca 0.21 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2hg9 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hg9 s HIS 128 N -2.00 3.48 0.17 1.61 3.76 -1.26 -4.78 115.29 116.27 2hg9 s HIS 128 Ca 0.00 0.43 -0.34 0.00 -0.15 0.00 0.00 55.06 55.00 2hg9 s HIS 128 Cb 0.00 -1.91 -0.14 0.00 1.11 0.00 0.00 32.58 31.64 2hg9 s HIS 128 CO 0.00 0.41 1.54 0.09 -0.85 0.00 0.00 174.74 175.93 2hg9 n ASN 129 N -0.28 2.94 0.07 1.40 3.02 -1.26 -0.74 115.26 120.40 2hg9 n ASN 129 Ca -0.04 1.09 -0.04 0.00 -0.03 0.00 0.00 54.58 55.56 2hg9 n ASN 129 Cb 0.53 -1.41 0.16 0.00 -0.61 0.00 0.00 39.78 38.45 2hg9 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2hg9 h LYS 130 N 5.58 0.32 -5.19 3.52 3.64 -1.24 -3.43 116.57 119.77 2hg9 h LYS 130 Ca -0.45 -0.18 -0.67 0.00 -1.27 0.00 0.00 60.65 58.09 2hg9 h LYS 130 Cb 1.26 0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.78 2hg9 h LYS 130 CO 0.86 0.73 -0.81 0.42 -2.27 0.00 0.00 179.45 178.38 2hg9 s ILE 131 N -4.04 2.60 0.06 2.00 1.01 -1.26 -1.16 121.20 120.41 2hg9 s ILE 131 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2hg9 s ILE 131 Cb 0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2hg9 s ILE 131 CO 0.79 0.52 -0.07 -0.54 0.00 0.00 0.00 174.94 175.64 2hg9 s LYS 132 N 0.82 0.63 0.35 2.79 1.02 -0.59 -4.63 119.74 120.13 2hg9 s LYS 132 Ca -0.05 -0.98 -0.28 0.00 0.02 0.00 0.00 55.97 54.67 2hg9 s LYS 132 Cb -0.15 -0.21 -0.11 0.00 -0.52 0.00 0.00 37.83 36.84 2hg9 s LYS 132 CO -0.00 0.01 1.38 -1.25 -0.92 0.00 0.00 175.35 174.57 2hg9 s PRO 133 N -2.51 4.26 0.48 -1.68 0.04 -1.26 -0.29 135.00 134.03 2hg9 s PRO 133 Ca -0.02 2.36 0.17 0.00 0.04 0.00 0.00 61.00 63.55 2hg9 s PRO 133 Cb -0.04 -3.03 1.17 0.00 0.04 0.00 0.00 34.50 32.65 2hg9 s PRO 133 CO -0.02 -0.33 2.03 1.98 0.04 0.00 0.00 177.00 180.70 2hg9 h MET 134 N 3.27 0.21 -0.22 4.56 4.05 -1.26 -0.25 114.93 125.29 2hg9 h MET 134 Ca -0.50 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 58.93 2hg9 h MET 134 Cb 1.23 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 2hg9 h MET 134 CO 0.65 0.14 0.15 1.57 0.23 0.00 0.00 176.91 179.65 2hg9 h LYS 135 N 0.21 0.22 -0.16 0.39 2.10 -1.90 -1.18 116.57 116.26 2hg9 h LYS 135 Ca 0.20 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2hg9 h LYS 135 Cb 0.51 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2hg9 h LYS 135 CO -0.03 0.15 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 2hg9 n ALA 136 N -2.52 2.49 -3.42 0.07 0.00 -0.13 -4.78 120.51 112.22 2hg9 n ALA 136 Ca 0.01 -0.68 -0.44 0.00 0.00 0.00 0.00 53.44 52.32 2hg9 n ALA 136 Cb 0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2hg9 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg9 s ALA 137 N -1.81 4.10 -0.34 0.00 0.00 -0.45 -4.98 121.76 118.29 2hg9 s ALA 137 Ca 0.34 -3.43 -0.45 0.00 0.00 0.00 0.00 51.96 48.43 2hg9 s ALA 137 Cb 0.20 -3.33 -0.20 0.00 0.00 0.00 0.00 23.12 19.79 2hg9 s ALA 137 CO 0.30 -2.23 1.44 0.00 0.00 0.00 0.00 175.76 175.27 2hg9 n ALA 138 N 3.59 -2.03 -0.07 0.00 0.00 -1.26 -0.97 120.51 119.77 2hg9 n ALA 138 Ca 0.15 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2hg9 n ALA 138 Cb 0.44 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2hg9 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hg9 n GLY 139 N 3.24 2.38 3.75 0.00 0.00 -1.26 -5.01 105.19 108.29 2hg9 n GLY 139 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 2hg9 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg9 s PHE 140 N -2.91 3.91 0.13 1.61 0.40 -0.14 -5.06 117.98 115.91 2hg9 s PHE 140 Ca 0.00 1.81 -0.22 0.00 -0.60 0.00 0.00 56.93 57.93 2hg9 s PHE 140 Cb 0.00 -2.96 0.06 0.00 0.51 0.00 0.00 43.02 40.63 2hg9 s PHE 140 CO 0.00 0.38 0.55 -3.38 0.70 0.00 0.00 175.22 173.46 2hg9 s HIS 141 N -0.73 -0.45 0.14 0.36 -3.43 -1.26 -4.95 115.29 104.97 2hg9 s HIS 141 Ca 0.42 0.29 -0.31 0.00 -0.80 0.00 0.00 55.06 54.65 2hg9 s HIS 141 Cb -0.24 0.45 -0.10 0.00 -1.43 0.00 0.00 32.58 31.26 2hg9 s HIS 141 CO 0.30 -0.78 1.65 0.08 -2.00 0.00 0.00 174.74 174.00 2hg9 s VAL 142 N -3.46 2.64 -0.17 -5.38 1.01 -1.26 -4.92 120.40 108.87 2hg9 s VAL 142 Ca -0.00 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.41 2hg9 s VAL 142 Cb -0.00 -3.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.04 2hg9 s VAL 142 CO -0.10 0.01 0.27 -1.54 0.00 0.00 0.00 175.10 173.74 2hg9 n SER 143 N 4.68 1.96 -3.57 3.32 3.41 -1.26 -5.05 113.62 117.11 2hg9 n SER 143 Ca 0.15 -0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.38 2hg9 n SER 143 Cb 0.38 1.26 -0.05 0.00 -0.26 0.00 0.00 64.21 65.54 2hg9 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hg9 s ALA 144 N -2.33 -1.91 0.00 7.33 0.00 -1.26 -5.16 121.76 118.42 2hg9 s ALA 144 Ca -0.01 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2hg9 s ALA 144 Cb 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2hg9 s ALA 144 CO 0.38 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2hg9 n GLY 145 N 0.85 -0.12 3.69 0.00 0.00 -1.26 -4.87 105.19 103.49 2hg9 n GLY 145 Ca -0.11 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2hg9 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hg9 s LYS 146 N -1.82 4.35 -0.14 1.61 2.47 -1.26 -4.97 119.74 119.98 2hg9 s LYS 146 Ca 0.00 1.75 -0.29 0.00 -1.56 0.00 0.00 55.97 55.86 2hg9 s LYS 146 Cb 0.00 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 2hg9 s LYS 146 CO 0.00 -0.45 1.40 1.21 0.16 0.00 0.00 175.35 177.66 2hg9 s ASN 147 N 1.51 6.83 0.00 1.43 3.84 -1.26 -4.93 114.94 122.36 2hg9 s ASN 147 Ca 0.58 1.84 0.29 0.00 0.21 0.00 0.00 52.86 55.77 2hg9 s ASN 147 Cb -0.27 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.10 2hg9 s ASN 147 CO 0.24 -0.84 1.89 -0.81 -2.79 0.00 0.00 177.10 174.78 2hg9 n PRO 148 N 6.83 0.12 -1.99 0.43 -0.04 -1.26 -4.84 135.00 134.26 2hg9 n PRO 148 Ca 0.15 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 2hg9 n PRO 148 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2hg9 n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hg9 s ILE 149 N -2.89 2.93 0.00 0.52 1.01 -1.26 -1.35 121.20 120.16 2hg9 s ILE 149 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2hg9 s ILE 149 Cb 0.19 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2hg9 s ILE 149 CO 0.53 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2hg9 n GLY 150 N 3.79 3.20 3.75 6.18 0.00 0.31 -5.00 105.19 117.42 2hg9 n GLY 150 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2hg9 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hg9 s LEU 151 N 0.00 4.56 0.48 0.99 1.43 -0.46 -4.68 118.68 121.00 2hg9 s LEU 151 Ca 0.00 2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 55.08 2hg9 s LEU 151 Cb 0.00 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 2hg9 s LEU 151 CO 0.00 -0.11 1.12 -2.16 0.23 0.00 0.00 176.35 175.43 2hg9 s PRO 152 N -1.24 3.71 -0.19 1.29 0.04 -1.26 -0.98 135.00 136.37 2hg9 s PRO 152 Ca 0.45 1.63 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2hg9 s PRO 152 Cb -0.31 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2hg9 s PRO 152 CO 0.39 -0.56 0.03 0.08 0.04 0.00 0.00 177.00 176.98 2hg9 s VAL 153 N -1.68 4.36 -0.08 -0.36 1.01 0.15 -1.20 120.40 122.59 2hg9 s VAL 153 Ca 0.66 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2hg9 s VAL 153 Cb -0.25 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2hg9 s VAL 153 CO 0.29 0.45 -0.11 -0.60 0.00 0.00 0.00 175.10 175.14 2hg9 s ARG 154 N 0.62 2.86 0.54 2.72 3.52 0.24 0.40 118.95 129.84 2hg9 s ARG 154 Ca 0.01 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 2hg9 s ARG 154 Cb -0.14 -2.54 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 2hg9 s ARG 154 CO 0.02 0.53 0.75 0.20 -0.81 0.00 0.00 175.30 175.99 2hg9 s GLY 155 N -0.46 1.84 0.12 8.12 0.00 0.31 -0.37 107.32 116.88 2hg9 s GLY 155 Ca 0.06 -1.37 0.15 0.00 0.00 0.00 0.00 44.72 43.56 2hg9 s GLY 155 CO 0.02 -1.10 1.45 0.00 0.00 0.00 0.00 173.10 173.47 2hg9 n ASP 157 N -1.81 0.27 -1.67 0.00 5.75 -1.24 -3.09 116.55 114.77 2hg9 n ASP 157 Ca 0.02 -1.87 -0.13 0.00 -0.01 0.00 0.00 54.79 52.79 2hg9 n ASP 157 Cb 0.12 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 2hg9 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hg9 n LEU 158 N -0.35 -1.05 -4.80 -2.12 4.77 0.32 -4.97 117.00 108.80 2hg9 n LEU 158 Ca 0.00 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.98 2hg9 n LEU 158 Cb 0.07 -2.09 -0.06 0.00 -2.33 0.00 0.00 43.42 39.01 2hg9 n LEU 158 CO 0.00 -0.56 -0.23 -1.61 -1.33 0.00 0.00 177.39 173.66 2hg9 s GLU 159 N -3.64 2.96 -0.06 3.23 0.41 -1.25 -4.88 118.70 115.47 2hg9 s GLU 159 Ca 0.00 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.55 2hg9 s GLU 159 Cb 0.00 -2.75 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 2hg9 s GLU 159 CO 0.00 0.55 1.23 0.42 -0.49 0.00 0.00 175.26 176.97 2hg9 s ILE 160 N -1.51 4.19 -0.76 -1.63 -1.09 -1.26 -0.53 121.20 118.61 2hg9 s ILE 160 Ca 0.30 1.52 0.22 0.00 -2.23 0.00 0.00 60.65 60.46 2hg9 s ILE 160 Cb -0.12 -3.97 -0.19 0.00 -1.58 0.00 0.00 42.46 36.60 2hg9 s ILE 160 CO 0.23 -0.02 0.93 0.00 -1.23 0.00 0.00 174.94 174.85 2hg9 n ALA 161 N 5.39 4.01 0.00 9.38 0.00 0.16 -4.92 120.51 134.53 2hg9 n ALA 161 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2hg9 n ALA 161 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2hg9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hg9 n GLY 162 N 1.43 -0.46 3.00 0.00 0.00 -1.19 -4.38 105.19 103.59 2hg9 n GLY 162 Ca 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 2hg9 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hg9 s LYS 163 N -2.00 0.22 -0.07 1.61 -2.85 -0.89 0.29 119.74 116.05 2hg9 s LYS 163 Ca 0.00 -0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 2hg9 s LYS 163 Cb 0.00 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 2hg9 s LYS 163 CO 0.00 -0.04 1.25 0.08 0.10 0.00 0.00 175.35 176.74 2hg9 s VAL 164 N -0.49 4.18 -0.45 1.79 1.01 -0.16 -0.42 120.40 125.86 2hg9 s VAL 164 Ca -0.06 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.49 2hg9 s VAL 164 Cb -0.04 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2hg9 s VAL 164 CO 0.00 -0.03 0.38 1.33 0.00 0.00 0.00 175.10 176.79 2hg9 n VAL 165 N 4.77 0.00 -3.63 2.92 0.24 0.39 -0.53 118.33 122.51 2hg9 n VAL 165 Ca 0.12 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2hg9 n VAL 165 Cb 0.46 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 2hg9 n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hg9 s ASP 166 N -1.44 -0.08 -0.09 -1.34 -1.08 -1.21 -4.93 116.67 106.50 2hg9 s ASP 166 Ca 0.04 -0.14 0.01 0.00 -0.52 0.00 0.00 52.55 51.94 2hg9 s ASP 166 Cb 0.05 0.19 -0.02 0.00 -1.46 0.00 0.00 42.92 41.67 2hg9 s ASP 166 CO 0.24 -0.34 -0.10 -0.63 0.52 0.00 0.00 175.17 174.86 2hg9 s ILE 167 N -2.49 3.38 -0.24 4.11 1.01 -1.26 -0.82 121.20 124.89 2hg9 s ILE 167 Ca 0.13 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 2hg9 s ILE 167 Cb 0.04 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2hg9 s ILE 167 CO -0.04 0.57 0.15 0.26 0.00 0.00 0.00 174.94 175.88 2hg9 s TRP 168 N -0.40 3.29 0.09 3.97 0.52 0.85 -0.67 118.94 126.60 2hg9 s TRP 168 Ca 0.05 0.17 0.08 0.00 0.02 0.00 0.00 56.10 56.43 2hg9 s TRP 168 Cb -0.12 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2hg9 s TRP 168 CO 0.02 0.05 -0.18 0.14 0.02 0.00 0.00 176.95 177.00 2hg9 s VAL 169 N 1.03 2.83 -0.39 4.03 -7.23 0.60 -0.10 120.40 121.18 2hg9 s VAL 169 Ca 0.07 -1.40 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 2hg9 s VAL 169 Cb -0.14 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2hg9 s VAL 169 CO 0.04 0.18 0.99 -0.62 -0.31 0.00 0.00 175.10 175.38 2hg9 s ASP 170 N -1.91 6.70 0.01 4.85 -1.08 0.62 -1.55 116.67 124.31 2hg9 s ASP 170 Ca 0.17 0.60 -0.26 0.00 -0.52 0.00 0.00 52.55 52.54 2hg9 s ASP 170 Cb -0.11 -2.49 -0.15 0.00 -1.46 0.00 0.00 42.92 38.71 2hg9 s ASP 170 CO 0.09 -0.95 1.13 0.40 0.52 0.00 0.00 175.17 176.36 2hg9 h ILE 171 N 5.90 0.18 -0.69 4.11 1.08 -1.45 -0.18 117.51 126.47 2hg9 h ILE 171 Ca -0.23 -0.38 0.08 0.00 -0.39 0.00 0.00 64.86 63.94 2hg9 h ILE 171 Cb 1.07 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 2hg9 h ILE 171 CO 1.02 0.03 0.45 1.55 -0.69 0.00 0.00 178.15 180.51 2hg9 h PRO 172 N -1.12 0.63 -0.36 2.37 0.13 -1.94 -2.51 132.00 129.21 2hg9 h PRO 172 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2hg9 h PRO 172 Cb 0.66 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2hg9 h PRO 172 CO 0.13 0.42 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2hg9 n GLU 173 N -4.48 2.45 -3.87 0.86 1.02 -1.23 -4.99 120.64 110.40 2hg9 n GLU 173 Ca 0.10 -2.24 -0.38 0.00 -0.02 0.00 0.00 57.16 54.63 2hg9 n GLU 173 Cb 0.27 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2hg9 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2hg9 n GLN 174 N 1.43 -0.77 -3.96 3.49 6.02 -0.09 -4.99 117.38 118.52 2hg9 n GLN 174 Ca 0.18 0.32 -0.09 0.00 -0.01 0.00 0.00 57.00 57.41 2hg9 n GLN 174 Cb 0.59 -3.21 -0.10 0.00 1.02 0.00 0.00 30.24 28.55 2hg9 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hg9 s MET 175 N -6.52 0.52 -0.09 -1.09 0.23 -1.13 -4.98 119.30 106.24 2hg9 s MET 175 Ca 0.43 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 54.04 2hg9 s MET 175 Cb -0.20 0.20 -0.02 0.00 -1.53 0.00 0.00 34.83 33.27 2hg9 s MET 175 CO 0.92 -0.12 1.19 0.00 -2.03 0.00 0.00 175.02 174.98 2hg9 s ALA 176 N -2.44 3.53 -0.13 3.16 0.00 -1.26 -0.28 121.76 124.34 2hg9 s ALA 176 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2hg9 s ALA 176 Cb -0.02 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 2hg9 s ALA 176 CO -0.04 -0.85 -0.06 0.54 0.00 0.00 0.00 175.76 175.35 2hg9 n ARG 177 N 5.54 1.09 -4.06 0.00 1.74 0.86 -4.83 116.66 116.99 2hg9 n ARG 177 Ca 0.11 0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 57.17 2hg9 n ARG 177 Cb 0.46 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 2hg9 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2hg9 s PHE 178 N -2.29 0.51 -0.13 -1.55 0.40 -0.95 -1.65 117.98 112.32 2hg9 s PHE 178 Ca -0.14 -1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 55.13 2hg9 s PHE 178 Cb 0.04 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 2hg9 s PHE 178 CO 0.40 -0.42 0.00 -0.51 0.70 0.00 0.00 175.22 175.39 2hg9 s LEU 179 N -2.93 3.54 -0.16 -0.37 1.43 -0.34 -0.10 118.68 119.75 2hg9 s LEU 179 Ca 0.09 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2hg9 s LEU 179 Cb 0.07 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2hg9 s LEU 179 CO -0.09 0.26 0.38 -0.70 0.23 0.00 0.00 176.35 176.44 2hg9 s GLU 180 N -0.19 4.27 -0.11 1.70 2.12 -0.01 -1.11 118.70 125.37 2hg9 s GLU 180 Ca 0.05 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.64 2hg9 s GLU 180 Cb -0.12 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.82 2hg9 s GLU 180 CO 0.02 0.14 -0.17 0.08 -0.54 0.00 0.00 175.26 174.79 2hg9 s VAL 181 N 0.74 1.61 -0.05 3.70 1.01 0.47 -0.46 120.40 127.42 2hg9 s VAL 181 Ca 0.20 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2hg9 s VAL 181 Cb -0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2hg9 s VAL 181 CO 0.07 0.46 0.57 -0.70 0.00 0.00 0.00 175.10 175.50 2hg9 s GLU 182 N 0.94 4.33 0.53 2.72 2.12 0.44 -1.33 118.70 128.46 2hg9 s GLU 182 Ca -0.07 0.66 0.02 0.00 0.36 0.00 0.00 54.97 55.94 2hg9 s GLU 182 Cb -0.15 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.89 2hg9 s GLU 182 CO -0.01 0.26 0.75 -0.51 -0.54 0.00 0.00 175.26 175.21 2hg9 s LEU 183 N 0.20 3.32 0.44 2.70 1.43 0.05 -2.09 118.68 124.73 2hg9 s LEU 183 Ca 0.30 -0.10 0.24 0.00 -1.03 0.00 0.00 54.13 53.55 2hg9 s LEU 183 Cb -0.17 -2.80 1.25 0.00 0.03 0.00 0.00 46.19 44.51 2hg9 s LEU 183 CO 0.15 -1.10 1.76 0.50 0.23 0.00 0.00 176.35 177.88 2hg9 h LYS 184 N 0.15 0.25 -0.08 1.70 3.64 -1.88 0.07 116.57 120.42 2hg9 h LYS 184 Ca -0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2hg9 h LYS 184 Cb 1.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2hg9 h LYS 184 CO 0.51 0.17 0.00 -0.40 -2.27 0.00 0.00 179.45 177.45 2hg9 n ASP 185 N -4.53 1.21 0.00 4.20 5.75 -1.26 -4.94 116.55 116.98 2hg9 n ASP 185 Ca 0.27 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 2hg9 n ASP 185 Cb 1.04 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 2hg9 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hg9 n GLY 186 N 1.08 3.33 3.83 6.12 0.00 0.01 -5.05 105.19 114.50 2hg9 n GLY 186 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2hg9 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hg9 s SER 187 N -0.65 4.67 0.34 1.61 1.04 -1.26 -4.71 113.70 114.73 2hg9 s SER 187 Ca 0.00 1.21 0.09 0.00 0.48 0.00 0.00 55.95 57.73 2hg9 s SER 187 Cb 0.00 -1.94 -0.06 0.00 0.10 0.00 0.00 66.02 64.12 2hg9 s SER 187 CO 0.00 -1.85 -0.09 0.42 0.98 0.00 0.00 173.24 172.71 2hg9 s THR 188 N -3.24 2.16 0.08 2.02 -4.23 -1.26 -0.77 115.64 110.40 2hg9 s THR 188 Ca 0.60 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2hg9 s THR 188 Cb -0.13 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2hg9 s THR 188 CO 0.53 -0.20 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.25 2hg9 s ARG 189 N -3.63 0.76 -0.13 3.99 1.81 -0.44 -4.87 118.95 116.44 2hg9 s ARG 189 Ca 0.32 -1.31 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 2hg9 s ARG 189 Cb 0.03 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 2hg9 s ARG 189 CO 0.16 -0.09 0.11 -0.51 -0.68 0.00 0.00 175.30 174.29 2hg9 s LEU 190 N -3.00 4.20 -0.14 2.53 1.43 -1.26 -0.40 118.68 122.05 2hg9 s LEU 190 Ca 0.12 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2hg9 s LEU 190 Cb 0.07 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2hg9 s LEU 190 CO -0.06 0.36 -0.14 -0.76 0.23 0.00 0.00 176.35 175.97 2hg9 s LEU 191 N -0.72 2.58 0.36 1.79 2.01 -0.27 -4.97 118.68 119.47 2hg9 s LEU 191 Ca 0.13 -0.40 -0.28 0.00 0.01 0.00 0.00 54.13 53.59 2hg9 s LEU 191 Cb -0.12 -1.58 -0.12 0.00 0.01 0.00 0.00 46.19 44.38 2hg9 s LEU 191 CO 0.03 0.13 1.43 -2.65 1.01 0.00 0.00 176.35 176.30 2hg9 n PRO 192 N 3.76 2.49 0.08 1.29 -0.02 -1.26 -1.20 135.00 140.14 2hg9 n PRO 192 Ca -0.19 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 2hg9 n PRO 192 Cb 0.52 -2.56 0.17 0.00 -0.02 0.00 0.00 33.50 31.61 2hg9 n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2hg9 h MET 193 N 2.99 0.27 0.00 -0.52 4.05 -1.64 -0.88 114.93 119.20 2hg9 h MET 193 Ca -0.49 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 58.78 2hg9 h MET 193 Cb 1.25 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2hg9 h MET 193 CO 0.65 0.71 0.00 1.04 0.23 0.00 0.00 176.91 179.54 2hg9 n GLN 194 N -3.96 0.18 -0.20 0.39 3.00 -1.26 -2.83 117.38 112.70 2hg9 n GLN 194 Ca -0.02 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.23 2hg9 n GLN 194 Cb 0.54 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.47 2hg9 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2hg9 n MET 195 N -1.30 1.88 -4.25 -1.09 2.81 -0.34 -5.00 117.12 109.83 2hg9 n MET 195 Ca 0.06 -2.67 -0.17 0.00 -1.81 0.00 0.00 57.70 53.11 2hg9 n MET 195 Cb 0.11 -1.62 -0.11 0.00 -0.71 0.00 0.00 33.22 30.89 2hg9 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hg9 s VAL 196 N -2.85 1.32 -0.22 2.03 -7.23 -1.13 -4.52 120.40 107.79 2hg9 s VAL 196 Ca 0.35 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2hg9 s VAL 196 Cb 0.30 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 35.63 2hg9 s VAL 196 CO 0.05 -0.53 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.45 2hg9 s LYS 197 N -3.06 2.24 -0.27 4.82 2.47 -0.20 -4.98 119.74 120.76 2hg9 s LYS 197 Ca 0.12 -1.05 -0.22 0.00 -1.56 0.00 0.00 55.97 53.26 2hg9 s LYS 197 Cb -0.02 -2.64 -0.01 0.00 -1.46 0.00 0.00 37.83 33.69 2hg9 s LYS 197 CO 0.03 -0.46 0.71 0.08 0.16 0.00 0.00 175.35 175.87 2hg9 s VAL 198 N 1.26 4.90 0.39 4.02 1.01 -1.26 -1.04 120.40 129.68 2hg9 s VAL 198 Ca -0.04 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.25 2hg9 s VAL 198 Cb -0.17 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2hg9 s VAL 198 CO -0.08 -0.07 0.12 -1.10 0.00 0.00 0.00 175.10 173.97 2hg9 s GLN 199 N 2.70 2.19 0.47 2.72 -0.21 0.73 -5.01 119.66 123.24 2hg9 s GLN 199 Ca 0.30 -1.81 0.20 0.00 0.02 0.00 0.00 55.36 54.07 2hg9 s GLN 199 Cb -0.15 -1.96 1.20 0.00 1.00 0.00 0.00 33.01 33.10 2hg9 s GLN 199 CO 0.09 -0.03 1.93 0.66 -2.12 0.00 0.00 175.29 175.82 2hg9 h SER 200 N 1.56 0.24 0.00 5.90 4.64 -2.01 -3.00 113.55 120.88 2hg9 h SER 200 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2hg9 h SER 200 Cb 1.25 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hg9 h SER 200 CO 0.69 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.31 2hg9 n ASN 201 N -4.43 1.02 -3.66 4.97 6.94 -1.26 -5.09 115.26 113.75 2hg9 n ASN 201 Ca 0.14 -1.41 -0.01 0.00 -0.02 0.00 0.00 54.58 53.28 2hg9 n ASN 201 Cb 0.63 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.04 2hg9 n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2hg9 s ARG 202 N -0.41 0.73 -0.16 -3.83 1.70 -1.14 -4.58 118.95 111.26 2hg9 s ARG 202 Ca 0.00 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 54.86 2hg9 s ARG 202 Cb 0.00 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2hg9 s ARG 202 CO 0.00 -0.33 -0.12 0.08 -1.08 0.00 0.00 175.30 173.85 2hg9 s VAL 203 N -2.80 3.02 -0.17 4.99 1.01 -0.34 -0.19 120.40 125.91 2hg9 s VAL 203 Ca 0.13 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 2hg9 s VAL 203 Cb 0.02 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2hg9 s VAL 203 CO -0.02 0.50 0.03 -2.28 0.00 0.00 0.00 175.10 173.33 2hg9 s HIS 204 N 0.72 3.17 -0.37 5.22 2.46 -0.21 -0.60 115.29 125.69 2hg9 s HIS 204 Ca -0.05 -0.05 -0.01 0.00 0.47 0.00 0.00 55.06 55.42 2hg9 s HIS 204 Cb -0.15 -2.03 0.09 0.00 -0.13 0.00 0.00 32.58 30.36 2hg9 s HIS 204 CO 0.02 0.10 0.12 0.08 -2.47 0.00 0.00 174.74 172.58 2hg9 s VAL 205 N 0.33 2.95 0.18 0.89 1.01 0.50 -1.03 120.40 125.24 2hg9 s VAL 205 Ca 0.01 -1.98 -0.10 0.00 0.00 0.00 0.00 61.98 59.91 2hg9 s VAL 205 Cb -0.13 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.36 2hg9 s VAL 205 CO 0.01 -0.54 1.70 -1.13 0.00 0.00 0.00 175.10 175.15 2hg9 h ASN 206 N 7.93 0.97 0.06 3.32 -1.24 -1.84 -2.52 115.58 122.26 2hg9 h ASN 206 Ca -0.13 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 56.63 2hg9 h ASN 206 Cb 1.04 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 2hg9 h ASN 206 CO 0.62 0.94 -0.09 0.00 -1.29 0.00 0.00 177.43 177.61 2hg9 h ALA 207 N 1.07 1.74 -4.14 1.57 0.00 -1.87 -3.38 119.26 114.24 2hg9 h ALA 207 Ca 0.21 -0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 2hg9 h ALA 207 Cb 0.34 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.78 2hg9 h ALA 207 CO -0.00 0.20 -0.84 -0.51 0.00 0.00 0.00 179.25 178.10 2hg9 s LEU 208 N -8.84 1.98 0.57 0.00 1.43 -1.24 -3.42 118.68 109.16 2hg9 s LEU 208 Ca -0.05 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2hg9 s LEU 208 Cb 0.16 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 2hg9 s LEU 208 CO 0.70 0.19 0.93 -0.94 0.23 0.00 0.00 176.35 177.46 2hg9 s SER 209 N -0.22 6.10 0.35 2.29 1.04 -1.26 -1.08 113.70 120.93 2hg9 s SER 209 Ca 0.02 1.12 0.07 0.00 0.48 0.00 0.00 55.95 57.64 2hg9 s SER 209 Cb -0.09 -2.25 0.77 0.00 0.10 0.00 0.00 66.02 64.55 2hg9 s SER 209 CO 0.01 -0.82 1.91 0.77 0.98 0.00 0.00 173.24 176.08 2hg9 h SER 210 N -0.12 0.67 0.70 7.02 4.64 -1.86 -0.06 113.55 124.54 2hg9 h SER 210 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2hg9 h SER 210 Cb 1.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2hg9 h SER 210 CO 0.62 0.39 0.00 -2.24 -0.87 0.00 0.00 176.83 174.73 2hg9 h ASP 211 N 0.74 0.00 0.31 4.97 2.03 -1.95 -2.89 116.42 119.63 2hg9 h ASP 211 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 2hg9 h ASP 211 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2hg9 h ASP 211 CO -0.16 0.00 -0.18 0.18 -1.03 0.00 0.00 179.24 178.05 2hg9 n LEU 212 N -2.34 0.73 -0.10 0.15 4.77 -0.03 -4.36 117.00 115.81 2hg9 n LEU 212 Ca 0.02 -0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 2hg9 n LEU 212 Cb 0.22 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2hg9 n LEU 212 CO 0.20 0.14 0.71 -0.26 -1.33 0.00 0.00 177.39 176.85 2hg9 h PHE 213 N 0.86 0.93 -0.37 -1.77 -1.00 -1.61 -2.71 116.94 111.27 2hg9 h PHE 213 Ca 0.00 -0.21 0.07 0.00 2.81 0.00 0.00 57.97 60.64 2hg9 h PHE 213 Cb 0.43 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2hg9 h PHE 213 CO 0.00 0.95 0.26 0.00 -1.61 0.00 0.00 178.31 177.90 2hg9 h ALA 214 N 1.05 2.08 0.00 2.45 0.00 -1.81 -2.32 119.26 120.71 2hg9 h ALA 214 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hg9 h ALA 214 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hg9 h ALA 214 CO 0.06 -0.17 -0.36 0.41 0.00 0.00 0.00 179.25 179.19 2hg9 n GLY 215 N -1.55 -1.48 3.55 0.00 0.00 -1.02 -4.82 105.19 99.86 2hg9 n GLY 215 Ca 0.05 -0.18 -0.52 0.00 0.00 0.00 0.00 46.02 45.37 2hg9 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hg9 n ILE 216 N -1.99 0.55 -2.36 -0.61 5.41 -0.87 -4.87 119.36 114.62 2hg9 n ILE 216 Ca 0.05 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.24 2hg9 n ILE 216 Cb 0.41 -0.60 -0.03 0.00 -0.71 0.00 0.00 39.64 38.71 2hg9 n ILE 216 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2hg9 s PRO 217 N -0.11 4.41 0.65 0.38 0.02 -1.26 -5.00 135.00 134.08 2hg9 s PRO 217 Ca 0.79 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 2hg9 s PRO 217 Cb -0.97 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 30.26 2hg9 s PRO 217 CO 0.52 -0.28 0.98 0.95 -0.33 0.00 0.00 177.00 178.83 2hg9 s THR 218 N 0.96 3.28 0.01 0.99 -4.23 -1.26 -4.71 115.64 110.69 2hg9 s THR 218 Ca 0.59 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2hg9 s THR 218 Cb -0.31 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2hg9 s THR 218 CO 0.30 -0.39 0.09 0.27 -0.54 0.00 0.00 174.62 174.35 2hg9 s ILE 219 N -3.15 4.73 -0.29 2.99 -4.36 -1.26 -5.01 121.20 114.86 2hg9 s ILE 219 Ca 0.56 -0.45 0.20 0.00 -0.26 0.00 0.00 60.65 60.70 2hg9 s ILE 219 Cb -0.11 -3.18 0.14 0.00 1.25 0.00 0.00 42.46 40.56 2hg9 s ILE 219 CO 0.47 0.31 1.36 0.07 0.24 0.00 0.00 174.94 177.39 2hg9 h LYS 220 N 3.96 0.00 -5.05 0.37 2.10 -1.98 -3.43 116.57 112.55 2hg9 h LYS 220 Ca -0.49 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.58 2hg9 h LYS 220 Cb 1.18 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 32.18 2hg9 h LYS 220 CO 0.63 0.16 -0.84 0.45 -2.00 0.00 0.00 179.45 177.85 2hg9 s SER 221 N -6.05 2.34 0.00 7.07 0.15 -1.26 -5.05 113.70 110.91 2hg9 s SER 221 Ca 0.03 -0.40 0.31 0.00 0.70 0.00 0.00 55.95 56.59 2hg9 s SER 221 Cb 0.07 -0.95 1.63 0.00 -1.71 0.00 0.00 66.02 65.05 2hg9 s SER 221 CO 0.73 0.11 2.10 -0.81 1.20 0.00 0.00 173.24 176.57 2hg9 n PRO 222 N 3.52 0.59 -0.21 5.44 -0.05 -1.26 -3.06 135.00 139.97 2hg9 n PRO 222 Ca -0.20 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.31 2hg9 n PRO 222 Cb 0.52 -1.50 0.15 0.00 -0.05 0.00 0.00 33.50 32.63 2hg9 n PRO 222 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2hg9 n THR 223 N -1.20 1.51 -3.54 0.52 -2.24 -1.26 -4.95 114.28 103.11 2hg9 n THR 223 Ca 0.17 -1.44 -0.12 0.00 -2.27 0.00 0.00 64.05 60.39 2hg9 n THR 223 Cb 0.20 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 2hg9 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2hg9 s GLU 224 N -1.80 1.14 0.08 -0.78 -1.05 -1.17 -4.60 118.70 110.52 2hg9 s GLU 224 Ca 0.26 -0.49 0.10 0.00 -0.15 0.00 0.00 54.97 54.68 2hg9 s GLU 224 Cb 0.18 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.36 2hg9 s GLU 224 CO 0.09 -0.46 -0.26 0.14 0.95 0.00 0.00 175.26 175.72 2hg9 s VAL 225 N -3.41 2.15 0.29 1.83 -7.23 -1.26 -4.49 120.40 108.27 2hg9 s VAL 225 Ca 0.00 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2hg9 s VAL 225 Cb 0.00 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 2hg9 s VAL 225 CO -0.10 0.23 0.46 0.42 -0.31 0.00 0.00 175.10 175.80 2hg9 s THR 226 N -0.92 5.18 0.28 5.32 -4.23 -1.26 -4.12 115.64 115.88 2hg9 s THR 226 Ca 0.12 -0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2hg9 s THR 226 Cb -0.10 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.16 2hg9 s THR 226 CO 0.04 -0.44 1.92 -0.07 -0.54 0.00 0.00 174.62 175.53 2hg9 h LEU 227 N 1.01 1.02 -0.48 4.79 3.38 -0.96 0.12 115.31 124.20 2hg9 h LEU 227 Ca -0.51 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.47 2hg9 h LEU 227 Cb 1.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 2hg9 h LEU 227 CO 0.62 0.69 0.30 0.25 0.09 0.00 0.00 178.44 180.39 2hg9 h LEU 228 N 1.18 0.50 -0.69 1.67 5.85 -1.39 -2.44 115.31 120.00 2hg9 h LEU 228 Ca 0.38 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 2hg9 h LEU 228 Cb 0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2hg9 h LEU 228 CO -0.12 0.36 0.14 -0.33 -0.34 0.00 0.00 178.44 178.14 2hg9 h GLU 229 N 0.60 1.12 -0.87 1.25 5.08 -1.59 -2.14 114.58 118.03 2hg9 h GLU 229 Ca 0.18 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2hg9 h GLU 229 Cb -0.02 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 2hg9 h GLU 229 CO -0.06 1.00 0.57 0.93 -1.00 0.00 0.00 179.01 180.45 2hg9 h GLU 230 N 1.04 1.10 -0.22 2.33 5.08 -0.63 -1.57 114.58 121.71 2hg9 h GLU 230 Ca 0.21 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 2hg9 h GLU 230 Cb 0.41 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2hg9 h GLU 230 CO 0.01 0.73 -0.53 -0.44 -1.00 0.00 0.00 179.01 177.77 2hg9 h ASP 231 N 1.13 0.71 -0.35 1.42 5.19 -0.91 0.11 116.42 123.72 2hg9 h ASP 231 Ca 0.33 -0.37 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 2hg9 h ASP 231 Cb -0.06 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 2hg9 h ASP 231 CO -0.08 1.10 -0.04 0.11 -3.12 0.00 0.00 179.24 177.21 2hg9 h LYS 232 N 0.49 0.64 0.37 3.56 1.57 -0.92 -0.50 116.57 121.79 2hg9 h LYS 232 Ca 0.01 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2hg9 h LYS 232 Cb 1.09 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2hg9 h LYS 232 CO 0.11 0.78 -0.18 0.82 -0.57 0.00 0.00 179.45 180.41 2hg9 h ILE 233 N 0.45 0.64 -0.45 1.86 2.04 -1.18 -1.26 117.51 119.60 2hg9 h ILE 233 Ca 0.10 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2hg9 h ILE 233 Cb 0.51 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2hg9 h ILE 233 CO 0.03 0.06 0.21 0.00 0.00 0.00 0.00 178.15 178.44 2hg9 h GLY 235 N 0.58 0.25 0.90 0.00 0.00 -1.13 -1.63 103.07 102.03 2hg9 h GLY 235 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2hg9 h GLY 235 CO -0.02 -0.14 -0.10 -1.82 0.00 0.00 0.00 176.54 174.46 2hg9 h TYR 236 N -0.01 -0.25 -0.08 5.60 3.20 -0.95 0.15 116.97 124.63 2hg9 h TYR 236 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2hg9 h TYR 236 Cb 0.28 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2hg9 h TYR 236 CO -0.34 -0.15 0.05 0.28 -1.64 0.00 0.00 178.16 176.36 2hg9 h VAL 237 N -0.22 1.02 -0.83 1.81 2.07 -1.37 -2.29 116.25 116.44 2hg9 h VAL 237 Ca 0.00 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2hg9 h VAL 237 Cb 0.21 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2hg9 h VAL 237 CO -0.02 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.10 2hg9 h ALA 238 N 1.03 1.13 -0.63 1.67 0.00 -1.17 -2.01 119.26 119.27 2hg9 h ALA 238 Ca 0.03 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.12 2hg9 h ALA 238 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2hg9 h ALA 238 CO -0.01 0.24 0.58 0.78 0.00 0.00 0.00 179.25 180.85 2hg9 h GLY 239 N 0.93 0.00 2.00 0.00 0.00 -0.11 -1.40 103.07 104.48 2hg9 h GLY 239 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 2hg9 h GLY 239 CO -0.17 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.65 2hg9 h GLY 240 N 0.00 0.00 -0.04 4.60 0.00 -1.23 0.44 103.07 106.83 2hg9 h GLY 240 Ca 0.30 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.73 2hg9 h GLY 240 CO -0.00 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.79 2hg9 h LEU 241 N 0.00 -0.58 0.01 3.11 3.38 -1.27 0.73 115.31 120.69 2hg9 h LEU 241 Ca -0.00 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2hg9 h LEU 241 Cb 0.80 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2hg9 h LEU 241 CO 0.05 -0.20 -0.05 -0.03 0.09 0.00 0.00 178.44 178.30 2hg9 h MET 242 N -0.05 0.02 0.00 1.13 4.05 -1.65 -3.33 114.93 115.10 2hg9 h MET 242 Ca 0.23 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2hg9 h MET 242 Cb 0.41 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2hg9 h MET 242 CO -0.52 1.01 -0.41 0.66 0.23 0.00 0.00 176.91 177.87 2hg9 n TYR 243 N -4.58 0.70 0.94 1.39 4.01 0.11 -2.99 117.16 116.74 2hg9 n TYR 243 Ca -0.10 0.20 0.12 0.00 -0.16 0.00 0.00 57.90 57.96 2hg9 n TYR 243 Cb 0.50 -0.76 0.10 0.00 -0.31 0.00 0.00 39.34 38.87 2hg9 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hg9 n ALA 244 N -1.82 2.46 -0.33 -0.72 0.00 0.23 -4.63 120.51 115.71 2hg9 n ALA 244 Ca 0.04 -0.69 0.09 0.00 0.00 0.00 0.00 53.44 52.87 2hg9 n ALA 244 Cb 0.44 -0.78 0.18 0.00 0.00 0.00 0.00 19.45 19.29 2hg9 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg9 n ALA 245 N 1.30 0.31 -0.34 0.00 0.00 -1.16 -0.58 120.51 120.05 2hg9 n ALA 245 Ca 0.14 1.00 0.18 0.00 0.00 0.00 0.00 53.44 54.75 2hg9 n ALA 245 Cb 0.58 -0.65 0.38 0.00 0.00 0.00 0.00 19.45 19.76 2hg9 n ALA 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2hg9 h PRO 246 N 0.00 0.53 -0.21 0.00 0.11 -1.84 -1.90 132.00 128.69 2hg9 h PRO 246 Ca 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2hg9 h PRO 246 Cb 0.85 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2hg9 h PRO 246 CO -0.92 0.35 0.00 1.63 -0.21 0.00 0.00 178.00 178.86 2hg9 n LYS 247 N -4.91 1.66 -3.33 1.05 5.02 0.26 -4.84 118.16 113.06 2hg9 n LYS 247 Ca 0.27 -1.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.12 2hg9 n LYS 247 Cb 0.75 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 34.36 2hg9 n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2hg9 s ARG 248 N -1.73 3.07 0.62 1.97 3.52 -0.72 -3.70 118.95 121.99 2hg9 s ARG 248 Ca 0.27 -0.87 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 2hg9 s ARG 248 Cb 0.14 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 2hg9 s ARG 248 CO 0.21 -0.90 1.09 0.15 -0.81 0.00 0.00 175.30 175.04 2hg9 s LYS 249 N 2.07 3.03 0.11 5.12 1.02 -1.18 -4.99 119.74 124.93 2hg9 s LYS 249 Ca 0.11 1.35 -0.31 0.00 0.02 0.00 0.00 55.97 57.13 2hg9 s LYS 249 Cb -0.18 -1.98 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 2hg9 s LYS 249 CO 0.12 -1.06 1.59 -1.54 -0.92 0.00 0.00 175.35 173.54 2hg9 s SER 250 N -2.57 6.62 0.00 2.83 1.04 -1.26 -5.05 113.70 115.31 2hg9 s SER 250 Ca 0.66 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.62 2hg9 s SER 250 Cb -0.19 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2hg9 s SER 250 CO 0.38 -0.84 0.00 0.52 0.98 0.00 0.00 173.24 174.29