#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2huf s GLU 2 N 0.00 3.84 -0.56 0.03 2.56 -1.26 -5.07 118.70 118.24 2huf s GLU 2 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.97 54.53 2huf s GLU 2 Cb 0.00 -3.23 0.15 0.00 2.00 0.00 0.00 34.13 33.05 2huf s GLU 2 CO 0.00 0.11 0.38 0.71 -0.56 0.00 0.00 175.26 175.90 2huf s TYR 3 N 0.81 3.47 0.45 5.30 1.51 -1.26 -4.94 117.35 122.68 2huf s TYR 3 Ca 0.03 -2.58 0.15 0.00 -1.01 0.00 0.00 57.07 53.66 2huf s TYR 3 Cb -0.14 -3.24 1.02 0.00 -0.11 0.00 0.00 41.96 39.49 2huf s TYR 3 CO 0.02 -0.89 1.99 1.57 -1.11 0.00 0.00 175.55 177.14 2huf h LYS 4 N 7.39 0.00 -5.29 -0.62 2.10 -2.09 -3.40 116.57 114.66 2huf h LYS 4 Ca -0.05 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.99 2huf h LYS 4 Cb 0.99 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.19 2huf h LYS 4 CO 0.72 0.18 -0.51 0.08 -2.00 0.00 0.00 179.45 177.92 2huf s VAL 5 N -4.62 5.26 0.21 0.07 1.01 -1.26 -5.10 120.40 115.98 2huf s VAL 5 Ca -0.04 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2huf s VAL 5 Cb 0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2huf s VAL 5 CO 0.69 0.45 0.23 0.42 0.00 0.00 0.00 175.10 176.89 2huf s THR 6 N 0.30 4.76 -0.02 3.92 -4.23 -1.26 -5.04 115.64 114.07 2huf s THR 6 Ca 0.07 -1.13 -0.34 0.00 -1.18 0.00 0.00 61.69 59.11 2huf s THR 6 Cb -0.11 -3.52 -0.12 0.00 1.34 0.00 0.00 72.50 70.08 2huf s THR 6 CO -0.01 -0.25 1.81 -2.65 -0.54 0.00 0.00 174.62 172.98 2huf n PRO 7 N -0.92 2.22 -2.04 3.99 -0.02 -1.26 -4.87 135.00 132.10 2huf n PRO 7 Ca -0.08 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2huf n PRO 7 Cb 0.56 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 2huf n PRO 7 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2huf s PRO 8 N 3.29 4.25 0.39 0.52 0.02 -1.26 -4.90 135.00 137.31 2huf s PRO 8 Ca 0.89 2.22 0.11 0.00 0.02 0.00 0.00 61.00 64.23 2huf s PRO 8 Cb -0.67 -3.36 0.90 0.00 0.02 0.00 0.00 34.50 31.39 2huf s PRO 8 CO 0.47 -0.59 1.93 0.00 -0.33 0.00 0.00 177.00 178.49 2huf h ALA 9 N 7.36 1.91 -0.20 -1.55 0.00 -2.02 -2.56 119.26 122.19 2huf h ALA 9 Ca -0.42 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2huf h ALA 9 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2huf h ALA 9 CO 0.90 -0.08 0.14 -0.24 0.00 0.00 0.00 179.25 179.97 2huf h VAL 10 N 0.58 0.97 -0.00 0.00 3.04 -1.98 -1.11 116.25 117.76 2huf h VAL 10 Ca 0.35 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 2huf h VAL 10 Cb 0.58 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2huf h VAL 10 CO -0.13 0.03 -0.02 0.18 -1.01 0.00 0.00 177.57 176.62 2huf n LEU 11 N -4.50 0.03 0.13 3.16 4.77 -0.96 -2.23 117.00 117.40 2huf n LEU 11 Ca 0.01 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2huf n LEU 11 Cb 0.18 -0.39 0.40 0.00 -2.33 0.00 0.00 43.42 41.28 2huf n LEU 11 CO 0.35 0.01 0.88 0.03 -1.33 0.00 0.00 177.39 177.32 2huf h ARG 12 N 0.02 0.00 -7.18 3.23 3.08 -1.31 -3.46 114.38 108.76 2huf h ARG 12 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2huf h ARG 12 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 2huf h ARG 12 CO 0.00 0.00 0.35 -1.21 -1.07 0.00 0.00 179.97 178.04 2huf s GLU 13 N -3.17 3.85 0.44 0.04 0.41 -0.95 -5.03 118.70 114.29 2huf s GLU 13 Ca 0.09 0.84 -0.25 0.00 -0.41 0.00 0.00 54.97 55.24 2huf s GLU 13 Cb 0.11 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 30.22 2huf s GLU 13 CO 0.57 -0.30 1.36 -2.14 -0.49 0.00 0.00 175.26 174.25 2huf s PRO 14 N -4.28 3.75 0.16 0.39 0.02 -1.26 -4.97 135.00 128.80 2huf s PRO 14 Ca 0.57 2.26 -0.31 0.00 0.02 0.00 0.00 61.00 63.54 2huf s PRO 14 Cb -0.10 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.67 2huf s PRO 14 CO 0.36 -0.71 1.62 -1.17 -0.33 0.00 0.00 177.00 176.77 2huf s LEU 15 N -2.70 4.37 -0.18 -5.54 0.20 -1.26 -5.02 118.68 108.55 2huf s LEU 15 Ca 0.60 2.65 -0.00 0.00 0.69 0.00 0.00 54.13 58.07 2huf s LEU 15 Cb -0.40 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 41.78 2huf s LEU 15 CO 0.51 -0.87 -0.16 0.54 -0.29 0.00 0.00 176.35 176.09 2huf s VAL 16 N 1.45 2.42 -0.42 1.68 0.11 -1.26 -5.06 120.40 119.32 2huf s VAL 16 Ca 0.72 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2huf s VAL 16 Cb -0.44 -2.04 0.15 0.00 -1.53 0.00 0.00 36.38 32.52 2huf s VAL 16 CO 0.32 0.51 0.27 0.42 -3.33 0.00 0.00 175.10 173.29 2huf s THR 17 N 1.23 0.75 0.44 5.04 -4.23 -1.26 -5.13 115.64 112.48 2huf s THR 17 Ca 0.03 -2.38 -0.26 0.00 -1.18 0.00 0.00 61.69 57.91 2huf s THR 17 Cb -0.14 -1.53 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 2huf s THR 17 CO -0.08 -1.03 1.44 -2.65 -0.54 0.00 0.00 174.62 171.77 2huf n PRO 18 N 3.45 2.33 -2.91 3.99 -0.02 -1.26 -4.94 135.00 135.64 2huf n PRO 18 Ca 0.16 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 2huf n PRO 18 Cb 0.39 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 2huf n PRO 18 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2huf s ASN 19 N -0.41 6.36 0.29 2.55 2.47 -1.26 -5.03 114.94 119.92 2huf s ASN 19 Ca 0.60 -0.30 0.08 0.00 0.42 0.00 0.00 52.86 53.66 2huf s ASN 19 Cb -0.45 -2.41 -0.04 0.00 -1.45 0.00 0.00 41.25 36.90 2huf s ASN 19 CO 0.59 -1.08 0.12 -0.54 -3.72 0.00 0.00 177.10 172.47 2huf s LYS 20 N 3.58 2.52 -0.48 0.43 1.02 -1.26 -5.00 119.74 120.54 2huf s LYS 20 Ca 0.29 -1.35 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 2huf s LYS 20 Cb -0.13 -2.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2huf s LYS 20 CO 0.20 0.27 0.54 -1.17 -0.92 0.00 0.00 175.35 174.28 2huf s LEU 21 N -3.80 5.07 -1.12 3.17 2.96 -0.32 -4.94 118.68 119.71 2huf s LEU 21 Ca 0.35 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 2huf s LEU 21 Cb -0.06 -2.39 0.15 0.00 0.50 0.00 0.00 46.19 44.40 2huf s LEU 21 CO 0.23 -0.78 1.34 -0.76 -1.32 0.00 0.00 176.35 175.06 2huf s LEU 22 N 2.34 5.00 -0.24 -0.68 1.43 -1.26 -0.71 118.68 124.56 2huf s LEU 22 Ca 0.12 -2.65 0.11 0.00 -1.03 0.00 0.00 54.13 50.69 2huf s LEU 22 Cb -0.20 -2.41 0.72 0.00 0.03 0.00 0.00 46.19 44.34 2huf s LEU 22 CO 0.11 -0.87 1.65 0.23 0.23 0.00 0.00 176.35 177.70 2huf n MET 23 N 6.06 4.23 -0.09 1.70 2.81 -1.05 -4.51 117.12 126.26 2huf n MET 23 Ca 0.33 -2.82 0.00 0.00 -1.81 0.00 0.00 57.70 53.40 2huf n MET 23 Cb 0.45 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 2huf n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2huf n GLY 24 N 0.37 -0.78 0.57 3.03 0.00 -1.15 -0.45 105.19 106.78 2huf n GLY 24 Ca 0.29 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.61 2huf n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2huf n PRO 25 N -0.91 1.51 0.00 1.61 -0.04 -1.26 -2.80 135.00 133.10 2huf n PRO 25 Ca 0.00 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2huf n PRO 25 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2huf n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2huf n GLY 26 N 0.27 4.10 3.77 0.55 0.00 -1.26 -4.93 105.19 107.69 2huf n GLY 26 Ca 0.04 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2huf n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2huf s PRO 27 N -4.14 2.87 0.38 1.61 0.02 -1.26 -5.13 135.00 129.34 2huf s PRO 27 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.41 2huf s PRO 27 Cb 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 2huf s PRO 27 CO 0.00 -1.20 0.59 -1.54 -0.33 0.00 0.00 177.00 174.53 2huf s SER 28 N -2.55 6.15 0.13 2.53 1.04 0.07 -4.80 113.70 116.27 2huf s SER 28 Ca 0.67 0.41 -0.32 0.00 0.48 0.00 0.00 55.95 57.19 2huf s SER 28 Cb -0.20 -1.88 -0.12 0.00 0.10 0.00 0.00 66.02 63.92 2huf s SER 28 CO 0.40 -0.43 1.78 0.59 0.98 0.00 0.00 173.24 176.56 2huf n ASN 29 N -1.89 3.84 -4.76 7.02 3.02 -1.26 -4.81 115.26 116.41 2huf n ASN 29 Ca -0.03 1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 55.13 2huf n ASN 29 Cb 0.57 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 2huf n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2huf s ALA 30 N 2.23 3.45 0.56 5.41 0.00 -1.26 -4.39 121.76 127.76 2huf s ALA 30 Ca 0.81 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.60 2huf s ALA 30 Cb -0.53 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 2huf s ALA 30 CO 0.37 -0.38 1.08 -2.30 0.00 0.00 0.00 175.76 174.54 2huf n PRO 31 N 1.48 1.19 -0.20 0.00 -0.02 -1.26 -4.84 135.00 131.34 2huf n PRO 31 Ca 0.01 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2huf n PRO 31 Cb 0.44 -2.26 0.42 0.00 -0.02 0.00 0.00 33.50 32.08 2huf n PRO 31 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2huf h GLN 32 N 0.92 0.58 -0.90 -0.52 5.75 -1.98 -1.49 115.11 117.46 2huf h GLN 32 Ca -0.48 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 2huf h GLN 32 Cb 1.34 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 2huf h GLN 32 CO 0.53 0.38 0.49 -0.09 -2.65 0.00 0.00 178.83 177.50 2huf h ARG 33 N 0.60 1.25 -0.24 1.69 2.43 -1.99 0.79 114.38 118.90 2huf h ARG 33 Ca 0.38 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.26 2huf h ARG 33 Cb 0.65 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2huf h ARG 33 CO -0.15 0.91 -0.41 -0.39 -1.51 0.00 0.00 179.97 178.43 2huf h VAL 34 N 1.26 1.31 -0.55 0.20 -1.51 -1.64 -2.36 116.25 112.96 2huf h VAL 34 Ca 0.32 -1.61 0.04 0.00 -1.23 0.00 0.00 66.70 64.21 2huf h VAL 34 Cb 0.02 1.74 -0.04 0.00 -2.13 0.00 0.00 31.29 30.88 2huf h VAL 34 CO -0.05 0.51 0.31 -0.07 -1.23 0.00 0.00 177.57 177.04 2huf h LEU 35 N 0.43 0.48 -0.79 4.19 3.38 -1.10 -2.66 115.31 119.23 2huf h LEU 35 Ca 0.02 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2huf h LEU 35 Cb 1.01 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 2huf h LEU 35 CO 0.09 0.33 0.49 0.44 0.09 0.00 0.00 178.44 179.88 2huf h ASP 36 N 0.60 0.78 0.19 -0.43 3.32 -0.84 -2.29 116.42 117.76 2huf h ASP 36 Ca 0.23 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2huf h ASP 36 Cb 0.08 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2huf h ASP 36 CO -0.13 0.52 -0.09 0.00 -1.72 0.00 0.00 179.24 177.83 2huf h ALA 37 N 1.36 1.49 -0.00 3.45 0.00 -1.07 -2.51 119.26 121.97 2huf h ALA 37 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2huf h ALA 37 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2huf h ALA 37 CO -0.14 0.11 -0.02 -1.33 0.00 0.00 0.00 179.25 177.86 2huf n MET 38 N -3.90 1.08 0.00 0.00 2.81 -0.86 -2.08 117.12 114.17 2huf n MET 38 Ca -0.02 -0.28 0.14 0.00 -1.81 0.00 0.00 57.70 55.73 2huf n MET 38 Cb 0.18 -1.49 0.50 0.00 -0.71 0.00 0.00 33.22 31.70 2huf n MET 38 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2huf n SER 39 N -0.72 1.42 -4.76 7.83 7.64 -0.95 -4.95 113.62 119.13 2huf n SER 39 Ca 0.21 -1.40 -0.35 0.00 1.01 0.00 0.00 58.87 58.34 2huf n SER 39 Cb 0.21 0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.46 2huf n SER 39 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2huf s ARG 40 N -2.08 2.99 0.61 1.43 0.52 -0.88 -4.97 118.95 116.56 2huf s ARG 40 Ca 0.36 1.69 -0.19 0.00 -0.52 0.00 0.00 55.73 57.08 2huf s ARG 40 Cb 0.21 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 2huf s ARG 40 CO 0.36 -1.16 1.24 -1.25 0.02 0.00 0.00 175.30 174.51 2huf s PRO 41 N -3.48 2.84 0.39 3.54 0.04 -1.26 -4.93 135.00 132.14 2huf s PRO 41 Ca 0.74 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 63.43 2huf s PRO 41 Cb -0.27 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2huf s PRO 41 CO 0.33 -1.33 1.30 0.42 0.04 0.00 0.00 177.00 177.76 2huf s ILE 42 N -1.52 2.65 0.23 0.56 -1.09 -1.26 -4.97 121.20 115.79 2huf s ILE 42 Ca 0.79 0.59 0.10 0.00 -2.23 0.00 0.00 60.65 59.90 2huf s ILE 42 Cb -0.33 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2huf s ILE 42 CO 0.35 0.09 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.32 2huf s LEU 43 N -2.34 3.01 0.49 2.97 1.02 -1.26 -5.12 118.68 117.45 2huf s LEU 43 Ca 0.56 -0.66 -0.23 0.00 0.02 0.00 0.00 54.13 53.82 2huf s LEU 43 Cb -0.38 -1.61 -0.06 0.00 0.02 0.00 0.00 46.19 44.15 2huf s LEU 43 CO 0.49 0.06 1.31 -0.83 0.02 0.00 0.00 176.35 177.40 2huf s GLY 44 N -3.24 2.87 0.55 -3.19 0.00 -1.26 -4.77 107.32 98.28 2huf s GLY 44 Ca 0.28 1.24 0.35 0.00 0.00 0.00 0.00 44.72 46.59 2huf s GLY 44 CO 0.17 1.77 2.04 1.12 0.00 0.00 0.00 173.10 178.20 2huf h HIS 45 N 1.89 0.00 -0.12 1.90 2.07 -1.94 -2.75 115.15 116.19 2huf h HIS 45 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2huf h HIS 45 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 2huf h HIS 45 CO 0.49 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.63 2huf n LEU 46 N -2.99 2.42 -4.77 6.12 4.77 -1.26 -4.76 117.00 116.53 2huf n LEU 46 Ca -0.00 -2.14 -0.37 0.00 -0.03 0.00 0.00 56.01 53.46 2huf n LEU 46 Cb 0.24 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2huf n LEU 46 CO 0.24 0.60 0.87 -1.00 -1.33 0.00 0.00 177.39 176.77 2huf s HIS 47 N -1.25 2.75 0.35 -1.77 3.76 -1.04 -4.84 115.29 113.24 2huf s HIS 47 Ca 0.12 1.49 0.08 0.00 -0.15 0.00 0.00 55.06 56.60 2huf s HIS 47 Cb 0.08 -3.49 0.78 0.00 1.11 0.00 0.00 32.58 31.06 2huf s HIS 47 CO 0.06 -1.84 1.87 -1.35 -0.85 0.00 0.00 174.74 172.63 2huf h PRO 48 N 1.96 0.72 -0.12 8.40 0.11 -1.96 -0.90 132.00 140.20 2huf h PRO 48 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 2huf h PRO 48 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2huf h PRO 48 CO 0.60 0.47 -0.27 0.93 -0.21 0.00 0.00 178.00 179.53 2huf h GLU 49 N 0.74 0.22 -0.08 1.05 3.07 -1.94 0.17 114.58 117.82 2huf h GLU 49 Ca 0.45 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 59.16 2huf h GLU 49 Cb 0.66 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2huf h GLU 49 CO -0.21 0.48 -0.22 1.15 -1.40 0.00 0.00 179.01 178.81 2huf h THR 50 N 0.20 1.42 -0.20 1.13 2.02 -1.48 -2.50 112.91 113.51 2huf h THR 50 Ca 0.03 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2huf h THR 50 Cb 0.58 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2huf h THR 50 CO 0.04 0.45 0.08 -0.07 0.37 0.00 0.00 175.52 176.39 2huf h LEU 51 N -0.20 0.24 -0.16 2.58 3.38 -0.94 -1.09 115.31 119.11 2huf h LEU 51 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2huf h LEU 51 Cb 0.84 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2huf h LEU 51 CO 0.05 0.23 0.02 0.50 0.09 0.00 0.00 178.44 179.33 2huf h LYS 52 N 0.27 0.27 -0.55 1.13 1.63 -0.92 0.30 116.57 118.71 2huf h LYS 52 Ca 0.07 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2huf h LYS 52 Cb 0.07 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2huf h LYS 52 CO -0.01 0.46 0.30 0.82 -3.45 0.00 0.00 179.45 177.57 2huf h ILE 53 N 0.05 0.99 -0.48 2.00 2.04 -0.96 -0.13 117.51 121.03 2huf h ILE 53 Ca 0.05 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2huf h ILE 53 Cb 0.32 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2huf h ILE 53 CO 0.00 0.10 0.23 0.24 0.00 0.00 0.00 178.15 178.73 2huf h MET 54 N 0.58 0.69 -0.60 2.37 2.86 -0.96 0.53 114.93 120.39 2huf h MET 54 Ca 0.23 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2huf h MET 54 Cb 0.11 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 2huf h MET 54 CO -0.14 0.58 0.32 -0.44 1.06 0.00 0.00 176.91 178.28 2huf h ASP 55 N 0.63 0.46 -0.42 1.22 3.32 0.02 -1.54 116.42 120.11 2huf h ASP 55 Ca 0.16 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2huf h ASP 55 Cb 0.12 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2huf h ASP 55 CO -0.02 0.31 0.04 0.44 -1.72 0.00 0.00 179.24 178.29 2huf h ASP 56 N 0.60 0.70 -0.56 6.45 3.32 -0.55 -2.33 116.42 124.05 2huf h ASP 56 Ca 0.27 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 57.13 2huf h ASP 56 Cb 0.17 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 2huf h ASP 56 CO -0.18 0.80 0.16 0.40 -1.72 0.00 0.00 179.24 178.71 2huf h ILE 57 N 0.57 0.74 -0.63 0.35 2.04 -0.66 -1.46 117.51 118.46 2huf h ILE 57 Ca 0.13 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2huf h ILE 57 Cb 0.42 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2huf h ILE 57 CO 0.01 0.06 0.30 0.11 0.00 0.00 0.00 178.15 178.63 2huf h LYS 58 N 0.32 0.53 -0.54 2.37 1.57 -0.95 0.20 116.57 120.06 2huf h LYS 58 Ca 0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2huf h LYS 58 Cb 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2huf h LYS 58 CO -0.32 0.35 0.28 0.93 -0.57 0.00 0.00 179.45 180.12 2huf h GLU 59 N 0.54 0.76 -0.71 3.15 5.08 -0.99 -1.15 114.58 121.27 2huf h GLU 59 Ca 0.30 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2huf h GLU 59 Cb 0.29 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2huf h GLU 59 CO -0.24 0.60 0.19 0.78 -1.00 0.00 0.00 179.01 179.33 2huf h GLY 60 N 0.72 1.21 1.53 -3.84 0.00 -0.44 -1.89 103.07 100.37 2huf h GLY 60 Ca 0.19 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 2huf h GLY 60 CO -0.03 0.70 -0.41 -0.39 0.00 0.00 0.00 176.54 176.41 2huf h VAL 61 N 1.06 1.30 -0.89 4.60 -1.51 -0.42 -1.01 116.25 119.38 2huf h VAL 61 Ca 0.22 -1.57 0.05 0.00 -1.23 0.00 0.00 66.70 64.17 2huf h VAL 61 Cb 0.35 1.57 -0.06 0.00 -2.13 0.00 0.00 31.29 31.03 2huf h VAL 61 CO -0.00 0.49 0.57 0.03 -1.23 0.00 0.00 177.57 177.43 2huf h ARG 62 N 0.43 1.04 0.42 5.19 3.08 -1.04 0.24 114.38 123.74 2huf h ARG 62 Ca 0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2huf h ARG 62 Cb 0.89 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2huf h ARG 62 CO 0.08 0.69 -0.20 -0.92 -1.07 0.00 0.00 179.97 178.54 2huf h TYR 63 N 1.07 -0.53 -0.53 3.04 3.20 -0.99 0.07 116.97 122.31 2huf h TYR 63 Ca 0.37 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 2huf h TYR 63 Cb 0.07 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2huf h TYR 63 CO -0.02 -0.30 0.13 -0.07 -1.64 0.00 0.00 178.16 176.26 2huf h LEU 64 N -0.63 0.75 -0.35 2.82 4.07 -0.76 -2.35 115.31 118.85 2huf h LEU 64 Ca -0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 2huf h LEU 64 Cb 0.47 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2huf h LEU 64 CO 0.10 0.74 -0.14 -0.26 -1.08 0.00 0.00 178.44 177.79 2huf h PHE 65 N 0.78 0.00 -5.84 1.13 -1.00 -0.56 -3.47 116.94 107.98 2huf h PHE 65 Ca 0.17 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.69 2huf h PHE 65 Cb 0.29 0.00 0.08 0.00 3.61 0.00 0.00 35.95 39.92 2huf h PHE 65 CO 0.02 0.14 -0.65 1.04 -1.61 0.00 0.00 178.31 177.24 2huf n GLN 66 N -3.16 -1.53 -4.02 1.51 1.13 -0.11 -1.33 117.38 109.86 2huf n GLN 66 Ca 0.03 0.91 -0.11 0.00 -1.94 0.00 0.00 57.00 55.89 2huf n GLN 66 Cb 0.53 -4.80 -0.11 0.00 0.11 0.00 0.00 30.24 25.97 2huf n GLN 66 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2huf s THR 67 N -3.24 0.32 -0.78 5.09 -1.32 -0.48 -2.75 115.64 112.48 2huf s THR 67 Ca 0.27 -1.02 0.16 0.00 -1.21 0.00 0.00 61.69 59.89 2huf s THR 67 Cb -0.07 -0.46 0.61 0.00 -1.51 0.00 0.00 72.50 71.06 2huf s THR 67 CO 0.80 -0.46 1.52 0.59 -2.21 0.00 0.00 174.62 174.87 2huf n ASN 68 N 1.49 4.30 -4.68 8.08 3.02 -1.26 -4.60 115.26 121.61 2huf n ASN 68 Ca -0.23 -2.55 -0.45 0.00 -0.03 0.00 0.00 54.58 51.32 2huf n ASN 68 Cb 0.55 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 2huf n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2huf n ASN 69 N 0.57 3.35 -0.06 6.41 5.03 -1.26 -4.89 115.26 124.40 2huf n ASN 69 Ca 0.22 1.06 -0.03 0.00 0.87 0.00 0.00 54.58 56.70 2huf n ASN 69 Cb 0.83 -1.45 0.19 0.00 -1.02 0.00 0.00 39.78 38.33 2huf n ASN 69 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2huf h ILE 70 N 3.91 1.24 -0.59 2.41 3.07 -1.91 -3.30 117.51 122.34 2huf h ILE 70 Ca -0.45 -1.02 -0.72 0.00 1.55 0.00 0.00 64.86 64.21 2huf h ILE 70 Cb 1.24 1.00 -0.07 0.00 -0.27 0.00 0.00 36.82 38.72 2huf h ILE 70 CO 0.91 0.35 2.82 0.00 -1.05 0.00 0.00 178.15 181.18 2huf n ALA 71 N -2.48 6.03 -3.59 0.16 0.00 -1.26 -4.73 120.51 114.64 2huf n ALA 71 Ca 0.02 -3.98 -0.28 0.00 0.00 0.00 0.00 53.44 49.19 2huf n ALA 71 Cb 0.32 -3.23 -0.17 0.00 0.00 0.00 0.00 19.45 16.37 2huf n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2huf s THR 72 N 1.54 1.52 0.09 0.00 2.01 -1.25 -0.82 115.64 118.73 2huf s THR 72 Ca 0.50 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 2huf s THR 72 Cb 0.14 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.29 2huf s THR 72 CO -0.06 0.44 0.22 2.22 -0.69 0.00 0.00 174.62 176.76 2huf n PHE 73 N 4.09 -1.18 -4.41 4.92 1.16 -0.55 -4.90 117.46 116.58 2huf n PHE 73 Ca -0.20 -0.43 -0.27 0.00 -1.87 0.00 0.00 57.45 54.68 2huf n PHE 73 Cb 0.51 0.22 -0.13 0.00 -1.61 0.00 0.00 39.48 38.47 2huf n PHE 73 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2huf s LEU 75 N -1.90 4.43 -1.38 0.00 1.43 0.77 -4.87 118.68 117.16 2huf s LEU 75 Ca 0.11 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 2huf s LEU 75 Cb -0.10 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.61 2huf s LEU 75 CO 0.05 0.30 2.09 -1.20 0.23 0.00 0.00 176.35 177.81 2huf n SER 76 N 1.59 4.63 -3.53 2.29 7.64 -1.26 -0.90 113.62 124.08 2huf n SER 76 Ca -0.13 -2.97 -0.08 0.00 1.01 0.00 0.00 58.87 56.70 2huf n SER 76 Cb 0.53 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 2huf n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2huf s ALA 77 N 1.76 -1.79 1.28 -0.43 0.00 -1.07 -4.98 121.76 116.53 2huf s ALA 77 Ca 0.44 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 2huf s ALA 77 Cb 0.12 0.47 0.32 0.00 0.00 0.00 0.00 23.12 24.03 2huf s ALA 77 CO -0.05 -0.74 1.09 -1.13 0.00 0.00 0.00 175.76 174.94 2huf n SER 78 N -0.28 -2.35 -0.31 0.00 3.41 -1.25 -2.91 113.62 109.93 2huf n SER 78 Ca -0.09 -1.15 0.11 0.00 -0.26 0.00 0.00 58.87 57.49 2huf n SER 78 Cb 0.62 -1.02 0.34 0.00 -0.26 0.00 0.00 64.21 63.89 2huf n SER 78 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2huf h GLY 79 N -2.86 1.40 1.02 5.00 0.00 -1.90 0.26 103.07 106.00 2huf h GLY 79 Ca -0.42 -0.34 0.12 0.00 0.00 0.00 0.00 47.33 46.70 2huf h GLY 79 CO 0.27 0.07 0.37 0.45 0.00 0.00 0.00 176.54 177.71 2huf h HIS 80 N 0.76 0.20 -0.23 5.60 -0.00 -1.97 0.04 115.15 119.55 2huf h HIS 80 Ca 0.49 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.85 2huf h HIS 80 Cb 0.73 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 2huf h HIS 80 CO -0.00 0.09 0.09 0.78 -0.00 0.00 0.00 177.93 178.88 2huf h GLY 81 N 0.18 0.33 0.88 2.45 0.00 -0.77 0.72 103.07 106.87 2huf h GLY 81 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2huf h GLY 81 CO -0.04 0.14 0.06 -1.33 0.00 0.00 0.00 176.54 175.36 2huf h GLY 82 N 0.45 0.47 1.00 4.60 0.00 -1.04 0.92 103.07 109.47 2huf h GLY 82 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2huf h GLY 82 CO -0.01 0.28 0.14 1.98 0.00 0.00 0.00 176.54 178.94 2huf h MET 83 N 0.26 0.28 -0.13 4.80 1.85 -1.29 -1.25 114.93 119.45 2huf h MET 83 Ca 0.08 -0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.20 2huf h MET 83 Cb 0.31 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 2huf h MET 83 CO 0.00 0.19 -0.14 0.93 -0.40 0.00 0.00 176.91 177.49 2huf h GLU 84 N 0.29 -0.16 -0.33 0.39 4.39 -0.74 -2.43 114.58 115.98 2huf h GLU 84 Ca 0.08 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 2huf h GLU 84 Cb -0.03 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2huf h GLU 84 CO -0.02 -0.11 -0.41 0.00 -1.16 0.00 0.00 179.01 177.31 2huf h ALA 85 N 0.91 0.64 -0.53 3.43 0.00 -0.65 0.18 119.26 123.24 2huf h ALA 85 Ca 0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2huf h ALA 85 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2huf h ALA 85 CO -0.23 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.60 2huf h THR 86 N 0.67 1.27 -0.23 0.00 1.03 -1.19 -1.89 112.91 112.58 2huf h THR 86 Ca 0.05 -1.23 -0.05 0.00 -0.01 0.00 0.00 66.41 65.17 2huf h THR 86 Cb 0.98 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 2huf h THR 86 CO 0.09 0.43 -0.07 -0.07 -0.01 0.00 0.00 175.52 175.90 2huf h LEU 87 N 0.86 0.46 -0.81 0.00 3.38 -1.31 -2.66 115.31 115.22 2huf h LEU 87 Ca 0.14 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2huf h LEU 87 Cb 0.65 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2huf h LEU 87 CO 0.04 0.73 0.49 0.00 0.09 0.00 0.00 178.44 179.79 2huf h ASN 89 N 1.11 0.00 -0.02 0.00 2.35 -1.38 -3.35 115.58 114.29 2huf h ASN 89 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2huf h ASN 89 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2huf h ASN 89 CO -0.05 0.88 -0.07 0.18 -1.65 0.00 0.00 177.43 176.72 2huf n LEU 90 N -3.30 2.60 -4.24 1.61 4.77 -1.00 -4.64 117.00 112.79 2huf n LEU 90 Ca -0.00 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.71 2huf n LEU 90 Cb 0.90 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.82 2huf n LEU 90 CO 0.45 0.45 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.65 2huf s LEU 91 N -1.84 2.04 0.33 2.23 1.43 -0.74 -4.98 118.68 117.15 2huf s LEU 91 Ca 0.23 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 2huf s LEU 91 Cb 0.17 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.06 2huf s LEU 91 CO 0.30 0.24 -0.04 -1.61 0.23 0.00 0.00 176.35 175.47 2huf s GLU 92 N -0.20 1.97 0.04 1.70 2.02 -1.26 -4.84 118.70 118.12 2huf s GLU 92 Ca -0.01 -1.80 -0.36 0.00 0.02 0.00 0.00 54.97 52.81 2huf s GLU 92 Cb -0.13 -1.85 -0.16 0.00 0.10 0.00 0.00 34.13 32.10 2huf s GLU 92 CO 0.03 0.16 1.48 -0.25 0.02 0.00 0.00 175.26 176.70 2huf n ASP 93 N -0.87 2.18 0.00 -0.19 8.00 -1.26 -1.59 116.55 122.82 2huf n ASP 93 Ca -0.05 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2huf n ASP 93 Cb 0.62 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 2huf n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2huf n GLY 94 N 3.07 1.78 3.74 0.44 0.00 -0.00 -4.97 105.19 109.25 2huf n GLY 94 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2huf n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2huf n ASP 95 N 0.00 3.45 -4.63 1.61 8.00 -0.62 -4.26 116.55 120.11 2huf n ASP 95 Ca 0.00 1.20 -0.41 0.00 0.71 0.00 0.00 54.79 56.29 2huf n ASP 95 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.48 2huf n ASP 95 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2huf s VAL 96 N -0.82 4.94 -0.08 2.53 1.01 -1.26 -0.44 120.40 126.29 2huf s VAL 96 Ca 0.57 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.83 2huf s VAL 96 Cb -0.52 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2huf s VAL 96 CO 0.59 -0.01 -0.20 -0.51 0.00 0.00 0.00 175.10 174.98 2huf s ILE 97 N 2.60 2.50 -0.22 2.22 2.07 -0.55 -0.70 121.20 129.12 2huf s ILE 97 Ca 0.29 -0.89 -0.09 0.00 -1.41 0.00 0.00 60.65 58.54 2huf s ILE 97 Cb -0.15 -1.97 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 2huf s ILE 97 CO 0.08 0.56 0.11 -0.22 -1.91 0.00 0.00 174.94 173.56 2huf s LEU 98 N -0.09 3.87 -0.28 8.50 2.96 0.35 -0.58 118.68 133.42 2huf s LEU 98 Ca -0.04 0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 2huf s LEU 98 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2huf s LEU 98 CO 0.04 0.08 0.25 -0.63 -1.32 0.00 0.00 176.35 174.77 2huf s ILE 99 N 0.96 5.26 -0.62 6.68 -1.09 0.11 -0.89 121.20 131.61 2huf s ILE 99 Ca 0.06 0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.48 2huf s ILE 99 Cb -0.14 -3.60 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2huf s ILE 99 CO 0.03 0.20 1.07 -0.83 -1.23 0.00 0.00 174.94 174.18 2huf s GLY 100 N 1.72 1.24 -0.39 6.18 0.00 -0.11 -1.06 107.32 114.90 2huf s GLY 100 Ca 0.09 -1.33 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 2huf s GLY 100 CO 0.11 2.27 0.57 -1.58 0.00 0.00 0.00 173.10 174.46 2huf s HIS 101 N 4.54 3.13 -0.08 1.90 2.46 0.64 -4.45 115.29 123.44 2huf s HIS 101 Ca 0.32 0.06 0.12 0.00 0.47 0.00 0.00 55.06 56.03 2huf s HIS 101 Cb -0.12 -3.10 0.19 0.00 -0.13 0.00 0.00 32.58 29.42 2huf s HIS 101 CO 0.17 -0.69 1.09 0.25 -2.47 0.00 0.00 174.74 173.10 2huf n THR 102 N 5.60 1.53 -2.39 0.89 -2.24 -1.26 -0.83 114.28 115.58 2huf n THR 102 Ca -0.03 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 2huf n THR 102 Cb 0.48 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2huf n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2huf n GLY 103 N -1.08 -0.21 0.34 3.38 0.00 -1.26 -4.69 105.19 101.67 2huf n GLY 103 Ca 0.10 -1.47 0.24 0.00 0.00 0.00 0.00 46.02 44.89 2huf n GLY 103 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2huf h HIS 104 N 0.00 0.92 0.00 1.61 -0.00 -1.93 -1.17 115.15 114.57 2huf h HIS 104 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2huf h HIS 104 Cb 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2huf h HIS 104 CO 0.00 -0.17 -0.09 -1.49 -0.00 0.00 0.00 177.93 176.18 2huf h TRP 105 N 0.32 0.00 -0.63 5.26 4.06 -1.97 0.17 115.95 123.16 2huf h TRP 105 Ca 0.74 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.60 2huf h TRP 105 Cb 1.69 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.83 2huf h TRP 105 CO -0.01 0.09 0.07 0.78 -3.56 0.00 0.00 178.44 175.81 2huf h GLY 106 N 1.51 1.14 1.04 1.49 0.00 -1.50 -1.57 103.07 105.18 2huf h GLY 106 Ca -0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 2huf h GLY 106 CO 0.01 0.72 -0.14 -0.55 0.00 0.00 0.00 176.54 176.58 2huf h ASP 107 N 0.99 0.90 -0.22 0.19 3.32 -0.78 -2.08 116.42 118.73 2huf h ASP 107 Ca 0.19 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 2huf h ASP 107 Cb 0.47 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2huf h ASP 107 CO 0.02 1.07 -0.24 -0.09 -1.72 0.00 0.00 179.24 178.28 2huf h ARG 108 N 0.72 0.55 -0.75 3.56 9.65 -1.21 -1.43 114.38 125.47 2huf h ARG 108 Ca 0.11 -0.30 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 2huf h ARG 108 Cb 0.70 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.26 2huf h ARG 108 CO 0.05 0.89 0.31 0.66 2.80 0.00 0.00 179.97 184.68 2huf h SER 109 N 0.25 1.03 -0.99 -3.80 4.64 -1.35 -1.74 113.55 111.59 2huf h SER 109 Ca 0.03 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2huf h SER 109 Cb 0.79 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 2huf h SER 109 CO 0.06 0.92 0.65 0.00 -0.87 0.00 0.00 176.83 177.58 2huf h ALA 110 N 1.16 1.30 0.82 5.18 0.00 -1.23 -0.49 119.26 125.99 2huf h ALA 110 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2huf h ALA 110 Cb 0.20 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2huf h ALA 110 CO -0.02 0.56 -0.41 0.22 0.00 0.00 0.00 179.25 179.59 2huf h ASP 111 N 1.26 -0.98 -0.49 0.00 3.58 -0.94 -0.46 116.42 118.40 2huf h ASP 111 Ca 0.39 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.92 2huf h ASP 111 Cb -0.03 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2huf h ASP 111 CO -0.12 -0.68 0.23 0.24 -2.88 0.00 0.00 179.24 176.03 2huf h MET 112 N -1.12 0.43 -0.94 0.28 2.86 -1.18 -0.32 114.93 114.94 2huf h MET 112 Ca -0.11 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2huf h MET 112 Cb 0.87 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.38 2huf h MET 112 CO 0.17 0.29 0.62 0.00 1.06 0.00 0.00 176.91 179.05 2huf h ALA 113 N 1.28 1.20 -0.43 6.32 0.00 -1.03 -0.86 119.26 125.74 2huf h ALA 113 Ca 0.22 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2huf h ALA 113 Cb 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2huf h ALA 113 CO -0.17 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 2huf h THR 114 N 1.26 1.27 -0.74 0.00 1.03 -0.39 -1.84 112.91 113.50 2huf h THR 114 Ca 0.35 -1.44 0.13 0.00 -0.01 0.00 0.00 66.41 65.44 2huf h THR 114 Cb -0.12 1.23 -0.05 0.00 -1.07 0.00 0.00 68.15 68.14 2huf h THR 114 CO -0.08 0.49 0.49 0.03 -0.01 0.00 0.00 175.52 176.44 2huf h ARG 115 N 0.79 0.46 -0.00 0.00 3.08 -0.49 -1.33 114.38 116.88 2huf h ARG 115 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2huf h ARG 115 Cb 0.85 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2huf h ARG 115 CO 0.08 0.30 -0.03 0.66 -1.07 0.00 0.00 179.97 179.91 2huf n TYR 116 N -4.49 0.00 -0.26 3.04 4.01 -0.38 -4.91 117.16 114.17 2huf n TYR 116 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2huf n TYR 116 Cb 0.47 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2huf n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2huf n GLY 117 N 1.13 0.87 3.81 2.72 0.00 -0.50 -4.55 105.19 108.68 2huf n GLY 117 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2huf n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 118 N -2.00 2.61 -0.60 4.61 0.00 -0.71 -0.82 121.76 124.84 2huf s ALA 118 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2huf s ALA 118 Cb 0.00 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.05 2huf s ALA 118 CO 0.00 -1.31 0.72 0.34 0.00 0.00 0.00 175.76 175.51 2huf s ASP 119 N -3.77 6.18 -0.20 0.00 -1.08 0.42 -4.61 116.67 113.61 2huf s ASP 119 Ca 0.59 -1.41 -0.14 0.00 -0.52 0.00 0.00 52.55 51.06 2huf s ASP 119 Cb -0.14 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2huf s ASP 119 CO 0.55 -1.14 0.33 -0.69 0.52 0.00 0.00 175.17 174.74 2huf s VAL 120 N 2.78 5.25 0.07 1.11 1.01 -1.26 -1.48 120.40 127.88 2huf s VAL 120 Ca 0.12 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.77 2huf s VAL 120 Cb -0.24 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2huf s VAL 120 CO 0.06 0.30 -0.23 -0.13 0.00 0.00 0.00 175.10 175.10 2huf s ARG 121 N 1.10 1.78 -0.04 2.72 1.81 0.26 -4.98 118.95 121.60 2huf s ARG 121 Ca 0.16 -1.14 0.03 0.00 -1.72 0.00 0.00 55.73 53.06 2huf s ARG 121 Cb -0.14 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.32 2huf s ARG 121 CO 0.07 0.50 -0.12 0.54 -0.68 0.00 0.00 175.30 175.60 2huf s VAL 122 N -0.95 1.06 -0.13 3.52 0.11 -1.26 0.09 120.40 122.84 2huf s VAL 122 Ca 0.14 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2huf s VAL 122 Cb -0.10 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2huf s VAL 122 CO 0.05 0.32 -0.19 0.54 -3.33 0.00 0.00 175.10 172.50 2huf s VAL 123 N 0.25 2.41 -0.13 2.04 0.11 -0.22 -4.94 120.40 119.92 2huf s VAL 123 Ca -0.06 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.07 2huf s VAL 123 Cb -0.11 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2huf s VAL 123 CO 0.02 0.54 0.04 -0.75 -3.33 0.00 0.00 175.10 171.62 2huf s LYS 124 N 0.64 3.49 0.92 1.54 2.20 -1.26 -0.26 119.74 127.01 2huf s LYS 124 Ca -0.10 -0.35 -0.11 0.00 -0.36 0.00 0.00 55.97 55.05 2huf s LYS 124 Cb -0.16 -3.03 0.14 0.00 -1.51 0.00 0.00 37.83 33.28 2huf s LYS 124 CO 0.02 0.52 1.09 -1.54 -0.36 0.00 0.00 175.35 175.08 2huf s SER 125 N -0.33 3.18 0.63 1.43 1.04 -0.01 -4.96 113.70 114.68 2huf s SER 125 Ca 0.08 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.92 2huf s SER 125 Cb -0.12 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 2huf s SER 125 CO 0.02 -2.84 1.18 -0.54 0.98 0.00 0.00 173.24 172.05 2huf s LYS 126 N -4.85 2.79 0.08 4.02 1.02 -1.26 -4.93 119.74 116.62 2huf s LYS 126 Ca 0.64 1.72 -0.35 0.00 0.02 0.00 0.00 55.97 58.00 2huf s LYS 126 Cb -0.19 -1.92 -0.14 0.00 -0.52 0.00 0.00 37.83 35.06 2huf s LYS 126 CO 0.58 -1.32 1.60 1.55 -0.92 0.00 0.00 175.35 176.83 2huf n VAL 127 N -1.95 0.12 -1.10 3.17 3.14 -1.26 -1.75 118.33 118.70 2huf n VAL 127 Ca 0.13 -0.02 -0.03 0.00 -2.96 0.00 0.00 64.34 61.45 2huf n VAL 127 Cb 0.50 -1.45 -0.01 0.00 -1.06 0.00 0.00 33.84 31.82 2huf n VAL 127 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2huf n GLY 128 N 3.46 0.56 3.40 7.55 0.00 -1.26 -4.86 105.19 114.04 2huf n GLY 128 Ca 0.19 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2huf n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2huf s GLN 129 N -1.63 1.47 0.73 1.61 -0.21 -0.72 -0.82 119.66 120.11 2huf s GLN 129 Ca 0.00 -1.69 -0.10 0.00 0.02 0.00 0.00 55.36 53.59 2huf s GLN 129 Cb 0.00 -1.27 0.05 0.00 1.00 0.00 0.00 33.01 32.79 2huf s GLN 129 CO 0.00 0.17 1.09 -1.54 -2.12 0.00 0.00 175.29 172.88 2huf s SER 130 N -3.40 4.97 0.22 5.90 1.04 -1.26 -4.57 113.70 116.61 2huf s SER 130 Ca 0.26 0.81 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 2huf s SER 130 Cb -0.00 -1.49 -0.09 0.00 0.10 0.00 0.00 66.02 64.55 2huf s SER 130 CO 0.10 -1.58 1.04 -0.76 0.98 0.00 0.00 173.24 173.02 2huf s LEU 131 N -5.38 4.56 0.65 2.42 1.43 -1.26 -4.58 118.68 116.51 2huf s LEU 131 Ca 0.60 2.08 -0.10 0.00 -1.03 0.00 0.00 54.13 55.68 2huf s LEU 131 Cb -0.11 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 2huf s LEU 131 CO 0.49 -0.07 1.02 -0.94 0.23 0.00 0.00 176.35 177.08 2huf s SER 132 N -0.67 5.69 0.21 2.29 1.04 -1.26 -4.75 113.70 116.25 2huf s SER 132 Ca 0.45 1.09 -0.09 0.00 0.48 0.00 0.00 55.95 57.88 2huf s SER 132 Cb -0.29 -2.02 0.16 0.00 0.10 0.00 0.00 66.02 63.98 2huf s SER 132 CO 0.36 -1.14 1.82 0.25 0.98 0.00 0.00 173.24 175.51 2huf h LEU 133 N -0.43 1.00 -0.71 2.42 6.46 -1.97 -1.76 115.31 120.32 2huf h LEU 133 Ca -0.45 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2huf h LEU 133 Cb 1.24 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.86 2huf h LEU 133 CO 0.63 0.82 0.41 0.44 -0.62 0.00 0.00 178.44 180.12 2huf h ASP 134 N 1.10 0.61 -0.72 1.25 5.19 -1.98 0.26 116.42 122.13 2huf h ASP 134 Ca 0.28 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.67 2huf h ASP 134 Cb 0.06 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 2huf h ASP 134 CO -0.04 0.39 0.28 -0.33 -3.12 0.00 0.00 179.24 176.43 2huf h GLU 135 N 0.75 1.08 -0.11 3.56 5.08 -1.80 -0.02 114.58 123.11 2huf h GLU 135 Ca 0.32 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2huf h GLU 135 Cb 0.19 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2huf h GLU 135 CO -0.18 0.89 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 2huf h ILE 136 N 1.03 1.22 -0.47 3.13 2.04 -0.90 -2.31 117.51 121.25 2huf h ILE 136 Ca 0.24 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.48 2huf h ILE 136 Cb 0.22 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2huf h ILE 136 CO -0.02 0.20 0.16 -0.09 0.00 0.00 0.00 178.15 178.39 2huf h ARG 137 N -0.05 0.31 -0.97 2.37 2.43 -0.26 0.02 114.38 118.23 2huf h ARG 137 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2huf h ARG 137 Cb 0.29 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2huf h ARG 137 CO 0.00 0.21 0.61 -0.44 -1.51 0.00 0.00 179.97 178.84 2huf h ASP 138 N 0.32 1.15 -0.32 -3.80 3.45 -0.97 -1.71 116.42 114.54 2huf h ASP 138 Ca 0.22 -0.05 -0.13 0.00 0.43 0.00 0.00 57.03 57.50 2huf h ASP 138 Cb 0.23 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 2huf h ASP 138 CO -0.23 0.86 -0.31 0.00 -1.57 0.00 0.00 179.24 177.99 2huf h ALA 139 N 1.34 0.47 -1.01 3.45 0.00 -0.90 -2.28 119.26 120.34 2huf h ALA 139 Ca 0.35 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2huf h ALA 139 Cb -0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 2huf h ALA 139 CO -0.07 0.50 0.65 -0.07 0.00 0.00 0.00 179.25 180.26 2huf h LEU 140 N 0.54 1.02 -0.34 0.00 3.38 -0.73 -0.54 115.31 118.64 2huf h LEU 140 Ca 0.05 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2huf h LEU 140 Cb 0.88 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2huf h LEU 140 CO 0.08 0.62 -0.24 0.25 0.09 0.00 0.00 178.44 179.24 2huf h LEU 141 N 1.14 0.80 -0.23 1.67 5.85 -1.17 0.73 115.31 124.10 2huf h LEU 141 Ca 0.45 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2huf h LEU 141 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2huf h LEU 141 CO -0.20 1.07 0.07 0.40 -0.34 0.00 0.00 178.44 179.44 2huf h ILE 142 N 0.54 1.19 0.00 4.05 1.08 -1.05 -3.36 117.51 119.97 2huf h ILE 142 Ca 0.07 -0.62 -0.23 0.00 -0.39 0.00 0.00 64.86 63.69 2huf h ILE 142 Cb 0.80 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 2huf h ILE 142 CO 0.07 0.20 -1.90 1.41 -0.69 0.00 0.00 178.15 177.23 2huf n HIS 143 N -4.76 0.46 -3.79 1.37 8.25 -0.24 -5.01 115.22 111.49 2huf n HIS 143 Ca -0.03 0.16 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 2huf n HIS 143 Cb 0.16 -0.97 0.03 0.00 1.12 0.00 0.00 29.99 30.33 2huf n HIS 143 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2huf n LYS 144 N -2.75 -1.51 -1.88 -0.41 5.02 0.24 -4.94 118.16 111.93 2huf n LYS 144 Ca -0.18 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 2huf n LYS 144 Cb 0.94 -3.98 0.01 0.00 -0.02 0.00 0.00 35.03 31.98 2huf n LYS 144 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2huf s PRO 145 N -6.30 3.44 0.09 1.97 0.04 -1.26 -4.91 135.00 128.07 2huf s PRO 145 Ca 0.38 0.88 0.23 0.00 0.04 0.00 0.00 61.00 62.53 2huf s PRO 145 Cb -0.15 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.36 2huf s PRO 145 CO 0.88 -0.69 1.01 -1.13 0.04 0.00 0.00 177.00 177.10 2huf n SER 146 N -2.62 0.62 -3.92 6.66 3.41 0.12 -4.45 113.62 113.45 2huf n SER 146 Ca 0.07 0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 2huf n SER 146 Cb 0.54 0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 2huf n SER 146 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2huf s VAL 147 N -3.28 0.18 -0.10 -3.33 -7.23 -1.16 -1.10 120.40 104.39 2huf s VAL 147 Ca 0.01 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 2huf s VAL 147 Cb 0.13 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.87 2huf s VAL 147 CO 0.80 -0.01 -0.12 -0.22 -0.31 0.00 0.00 175.10 175.24 2huf s LEU 148 N -0.22 2.79 -0.17 1.32 2.96 0.58 -0.49 118.68 125.45 2huf s LEU 148 Ca -0.01 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2huf s LEU 148 Cb -0.02 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2huf s LEU 148 CO -0.00 0.24 -0.17 0.12 -1.32 0.00 0.00 176.35 175.22 2huf s PHE 149 N -0.11 2.77 0.14 5.38 2.19 -0.07 -0.77 117.98 127.50 2huf s PHE 149 Ca -0.01 -1.30 0.08 0.00 0.33 0.00 0.00 56.93 56.03 2huf s PHE 149 Cb -0.14 -1.90 -0.04 0.00 -1.31 0.00 0.00 43.02 39.63 2huf s PHE 149 CO 0.03 -0.62 -0.18 -0.51 1.83 0.00 0.00 175.22 175.77 2huf s LEU 150 N 1.03 2.39 -0.28 6.12 1.43 -0.11 -0.94 118.68 128.32 2huf s LEU 150 Ca -0.01 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 2huf s LEU 150 Cb -0.15 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.28 2huf s LEU 150 CO -0.05 -0.03 0.07 -0.89 0.23 0.00 0.00 176.35 175.68 2huf s THR 151 N -1.81 3.91 0.05 5.49 2.01 -1.26 -1.16 115.64 122.87 2huf s THR 151 Ca 0.12 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 2huf s THR 151 Cb -0.07 -2.99 -0.15 0.00 0.01 0.00 0.00 72.50 69.30 2huf s THR 151 CO 0.05 0.13 1.55 -0.61 -0.69 0.00 0.00 174.62 175.05 2huf h GLN 152 N 8.22 0.08 -4.72 4.92 4.15 -1.00 -3.39 115.11 123.37 2huf h GLN 152 Ca -0.33 -0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.40 2huf h GLN 152 Cb 1.13 -0.01 -0.37 0.00 0.21 0.00 0.00 27.48 28.44 2huf h GLN 152 CO 0.60 0.26 -0.71 0.20 -1.93 0.00 0.00 178.83 177.26 2huf s GLY 153 N -2.68 1.84 -0.50 2.39 0.00 -1.25 -0.44 107.32 106.68 2huf s GLY 153 Ca -0.14 -2.20 -0.23 0.00 0.00 0.00 0.00 44.72 42.15 2huf s GLY 153 CO 0.68 0.82 0.84 -0.35 0.00 0.00 0.00 173.10 175.09 2huf s ASP 154 N 1.17 6.37 0.13 1.64 -1.08 -0.27 -4.40 116.67 120.23 2huf s ASP 154 Ca 0.02 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 51.99 2huf s ASP 154 Cb -0.20 -2.40 0.86 0.00 -1.46 0.00 0.00 42.92 39.72 2huf s ASP 154 CO -0.05 -1.05 1.66 -1.54 0.52 0.00 0.00 175.17 174.71 2huf n SER 155 N 6.99 0.37 0.09 -0.34 3.41 -1.26 -0.66 113.62 122.22 2huf n SER 155 Ca 0.01 0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 2huf n SER 155 Cb 0.48 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 2huf n SER 155 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2huf h SER 156 N 0.00 0.54 0.00 4.04 4.64 -1.90 -3.37 113.55 117.50 2huf h SER 156 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2huf h SER 156 Cb 0.39 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2huf h SER 156 CO 0.00 1.34 -0.81 0.35 -0.87 0.00 0.00 176.83 176.84 2huf n THR 157 N -3.66 0.00 -2.43 2.95 -2.24 -1.06 -4.53 114.28 103.31 2huf n THR 157 Ca -0.09 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2huf n THR 157 Cb 0.94 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 70.03 2huf n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2huf n GLY 158 N 1.39 0.02 3.45 3.38 0.00 0.17 -4.40 105.19 109.19 2huf n GLY 158 Ca 0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2huf n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2huf s VAL 159 N -2.69 3.67 -0.26 1.61 1.01 -1.11 -1.45 120.40 121.17 2huf s VAL 159 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2huf s VAL 159 Cb -0.04 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2huf s VAL 159 CO 0.10 0.49 0.41 -0.22 0.00 0.00 0.00 175.10 175.88 2huf s LEU 160 N 0.49 4.06 -0.21 3.92 2.96 0.84 -1.12 118.68 129.63 2huf s LEU 160 Ca -0.05 0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 2huf s LEU 160 Cb -0.15 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2huf s LEU 160 CO 0.03 -0.19 0.64 -1.58 -1.32 0.00 0.00 176.35 173.94 2huf s GLN 161 N 2.00 4.19 0.34 1.98 2.00 0.41 -4.70 119.66 125.87 2huf s GLN 161 Ca 0.17 0.63 -0.28 0.00 -2.00 0.00 0.00 55.36 53.88 2huf s GLN 161 Cb -0.16 -3.60 -0.10 0.00 0.80 0.00 0.00 33.01 29.96 2huf s GLN 161 CO 0.09 -0.29 1.22 0.20 -0.50 0.00 0.00 175.29 176.01 2huf s GLY 162 N 1.26 2.98 0.00 2.59 0.00 -1.26 -4.81 107.32 108.09 2huf s GLY 162 Ca 0.29 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2huf s GLY 162 CO 0.10 1.69 0.14 1.04 0.00 0.00 0.00 173.10 176.07 2huf n LEU 163 N 0.69 0.27 -4.70 0.66 4.77 -1.26 -4.95 117.00 112.49 2huf n LEU 163 Ca 0.01 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 2huf n LEU 163 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2huf n LEU 163 CO 0.55 0.07 1.34 -1.61 -1.33 0.00 0.00 177.39 176.41 2huf s GLU 164 N -0.56 4.19 0.00 3.23 2.02 -1.26 -1.95 118.70 124.37 2huf s GLU 164 Ca 0.00 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.38 2huf s GLU 164 Cb 0.00 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.72 2huf s GLU 164 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 174.96 2huf n GLY 165 N 4.00 2.32 0.18 -1.39 0.00 -1.26 -4.92 105.19 104.11 2huf n GLY 165 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2huf n GLY 165 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2huf h VAL 166 N 0.00 1.33 -0.76 1.61 -1.51 -1.68 -1.73 116.25 113.50 2huf h VAL 166 Ca 0.00 -2.21 0.04 0.00 -1.23 0.00 0.00 66.70 63.30 2huf h VAL 166 Cb 0.00 2.49 -0.05 0.00 -2.13 0.00 0.00 31.29 31.60 2huf h VAL 166 CO 0.00 0.67 0.47 1.23 -1.23 0.00 0.00 177.57 178.71 2huf h GLY 167 N 0.21 1.11 1.00 5.19 0.00 -1.75 0.17 103.07 108.99 2huf h GLY 167 Ca -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2huf h GLY 167 CO 0.18 0.27 0.27 0.00 0.00 0.00 0.00 176.54 177.26 2huf h ALA 168 N 1.34 0.52 -0.27 3.60 0.00 -1.76 -0.50 119.26 122.18 2huf h ALA 168 Ca 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2huf h ALA 168 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2huf h ALA 168 CO -0.13 -0.03 0.16 1.25 0.00 0.00 0.00 179.25 180.49 2huf h LEU 169 N 0.55 0.27 -0.43 0.00 5.85 -0.71 -1.49 115.31 119.35 2huf h LEU 169 Ca 0.15 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.94 2huf h LEU 169 Cb -0.06 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2huf h LEU 169 CO -0.04 0.20 0.06 0.00 -0.34 0.00 0.00 178.44 178.32 2huf h HIS 171 N 0.19 0.00 0.00 0.00 3.86 -0.80 0.65 115.15 119.04 2huf h HIS 171 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2huf h HIS 171 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2huf h HIS 171 CO -0.23 0.35 -0.03 1.96 0.86 0.00 0.00 177.93 180.84 2huf h GLN 172 N 0.00 0.00 -0.04 2.45 4.20 -0.73 -2.91 115.11 118.08 2huf h GLN 172 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2huf h GLN 172 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2huf h GLN 172 CO 0.04 0.03 -0.31 0.72 -0.67 0.00 0.00 178.83 178.64 2huf n HIS 173 N -3.34 0.14 -3.77 2.96 8.25 0.08 -4.98 115.22 114.56 2huf n HIS 173 Ca -0.02 -1.36 -0.26 0.00 -0.26 0.00 0.00 57.72 55.82 2huf n HIS 173 Cb 0.15 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 31.05 2huf n HIS 173 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2huf n ASN 174 N -1.19 -4.33 -4.19 0.41 5.03 -0.93 -4.88 115.26 105.18 2huf n ASN 174 Ca 0.20 -0.72 -0.27 0.00 0.87 0.00 0.00 54.58 54.66 2huf n ASN 174 Cb 0.72 -4.27 -0.16 0.00 -1.02 0.00 0.00 39.78 35.05 2huf n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2huf s LEU 176 N -0.28 4.14 -0.19 0.00 1.43 -0.26 -3.55 118.68 119.97 2huf s LEU 176 Ca 0.03 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2huf s LEU 176 Cb -0.09 -3.88 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 2huf s LEU 176 CO 0.01 -0.13 -0.10 -0.22 0.23 0.00 0.00 176.35 176.14 2huf s LEU 177 N -2.75 2.65 -0.13 1.79 2.96 -1.26 -0.31 118.68 121.64 2huf s LEU 177 Ca 0.50 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2huf s LEU 177 Cb -0.12 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2huf s LEU 177 CO 0.19 0.02 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.56 2huf s ILE 178 N 1.23 3.83 -0.08 6.68 1.01 0.05 -0.51 121.20 133.41 2huf s ILE 178 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2huf s ILE 178 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2huf s ILE 178 CO -0.04 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.63 2huf s VAL 179 N -0.03 1.10 -0.19 2.92 1.01 0.03 -0.93 120.40 124.31 2huf s VAL 179 Ca 0.01 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2huf s VAL 179 Cb -0.13 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2huf s VAL 179 CO 0.03 0.36 0.85 -0.62 0.00 0.00 0.00 175.10 175.71 2huf s ASP 180 N 0.96 6.93 -0.17 3.32 -1.08 -0.31 -3.06 116.67 123.27 2huf s ASP 180 Ca -0.09 1.15 0.14 0.00 -0.52 0.00 0.00 52.55 53.23 2huf s ASP 180 Cb -0.15 -2.46 0.37 0.00 -1.46 0.00 0.00 42.92 39.23 2huf s ASP 180 CO 0.00 -0.45 1.19 0.35 0.52 0.00 0.00 175.17 176.78 2huf n THR 181 N 4.92 1.97 -0.17 1.71 -2.24 -0.21 -0.34 114.28 119.93 2huf n THR 181 Ca 0.05 -2.78 -0.06 0.00 -2.27 0.00 0.00 64.05 58.99 2huf n THR 181 Cb 0.48 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 2huf n THR 181 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2huf h VAL 182 N 1.03 1.08 0.00 2.28 2.07 -1.87 -1.65 116.25 119.19 2huf h VAL 182 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2huf h VAL 182 Cb 1.04 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2huf h VAL 182 CO 0.00 0.11 -0.94 0.00 0.02 0.00 0.00 177.57 176.77 2huf n ALA 183 N -2.26 2.79 -0.07 1.67 0.00 -1.26 -4.00 120.51 117.38 2huf n ALA 183 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 2huf n ALA 183 Cb 0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.27 2huf n ALA 183 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2huf n SER 184 N -2.39 0.75 -4.73 0.00 3.41 -1.11 -4.72 113.62 104.83 2huf n SER 184 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2huf n SER 184 Cb 0.50 1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 65.49 2huf n SER 184 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2huf s LEU 185 N -5.13 4.36 0.00 1.04 2.96 -0.64 -0.46 118.68 120.82 2huf s LEU 185 Ca -0.08 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 2huf s LEU 185 Cb 0.06 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2huf s LEU 185 CO 0.72 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 2huf n GLY 186 N 3.17 2.49 0.22 7.98 0.00 -1.26 -4.58 105.19 113.22 2huf n GLY 186 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2huf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2huf n GLY 187 N -2.00 -0.64 3.52 -0.02 0.00 0.40 -3.15 105.19 103.30 2huf n GLY 187 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2huf n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 188 N -0.68 -1.70 0.34 4.61 0.00 -0.91 -4.46 121.76 118.96 2huf s ALA 188 Ca 0.07 1.39 -0.28 0.00 0.00 0.00 0.00 51.96 53.13 2huf s ALA 188 Cb 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.83 2huf s ALA 188 CO 0.10 -0.36 1.29 -2.30 0.00 0.00 0.00 175.76 174.50 2huf n PRO 189 N 1.28 2.14 -3.71 0.00 -0.02 -1.26 -4.76 135.00 128.67 2huf n PRO 189 Ca -0.18 0.75 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2huf n PRO 189 Cb 0.57 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 2huf n PRO 189 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2huf s MET 190 N -1.89 0.27 -0.36 -0.52 1.75 -1.26 -5.04 119.30 112.24 2huf s MET 190 Ca 0.55 0.66 0.00 0.00 -1.25 0.00 0.00 55.69 55.65 2huf s MET 190 Cb -0.57 -0.06 0.13 0.00 2.84 0.00 0.00 34.83 37.17 2huf s MET 190 CO 0.62 -0.18 0.20 -0.06 -0.65 0.00 0.00 175.02 174.95 2huf s PHE 191 N 1.48 1.14 0.12 4.11 0.40 -1.26 -4.54 117.98 119.43 2huf s PHE 191 Ca -0.08 -1.78 -0.22 0.00 -0.60 0.00 0.00 56.93 54.25 2huf s PHE 191 Cb -0.10 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.09 2huf s PHE 191 CO -0.10 -0.82 1.70 1.98 0.70 0.00 0.00 175.22 178.67 2huf h MET 192 N 7.21 -0.10 -0.12 0.44 4.05 -1.10 -0.68 114.93 124.63 2huf h MET 192 Ca -0.01 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 2huf h MET 192 Cb 0.97 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2huf h MET 192 CO 0.37 -0.07 -0.21 -0.44 0.23 0.00 0.00 176.91 176.79 2huf h ASP 193 N -0.11 0.39 -0.81 1.39 5.19 -1.77 -1.56 116.42 119.15 2huf h ASP 193 Ca 0.06 -0.55 0.04 0.00 -0.62 0.00 0.00 57.03 55.96 2huf h ASP 193 Cb 0.19 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2huf h ASP 193 CO -0.15 0.87 0.53 -0.09 -3.12 0.00 0.00 179.24 177.28 2huf h ARG 194 N -0.07 0.95 -0.22 3.56 2.43 -1.80 -1.37 114.38 117.87 2huf h ARG 194 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2huf h ARG 194 Cb 0.79 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2huf h ARG 194 CO 0.05 0.63 0.00 0.91 -1.51 0.00 0.00 179.97 180.05 2huf n TRP 195 N -4.46 0.28 -3.67 2.20 8.01 -0.27 -4.95 117.44 114.60 2huf n TRP 195 Ca 0.11 -0.14 -0.24 0.00 -1.31 0.00 0.00 57.50 55.91 2huf n TRP 195 Cb 0.13 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.50 2huf n TRP 195 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2huf n GLU 196 N 0.29 -6.96 -3.04 -0.99 1.02 -0.52 -3.79 120.64 106.65 2huf n GLU 196 Ca 0.14 0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 2huf n GLU 196 Cb 0.29 -5.73 -0.05 0.00 -0.02 0.00 0.00 31.44 25.92 2huf n GLU 196 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2huf s ILE 197 N -3.35 4.76 -0.12 -3.67 1.01 -0.63 -4.43 121.20 114.78 2huf s ILE 197 Ca 0.49 1.53 0.18 0.00 0.00 0.00 0.00 60.65 62.84 2huf s ILE 197 Cb -0.22 -4.06 -0.22 0.00 0.01 0.00 0.00 42.46 37.96 2huf s ILE 197 CO 0.76 0.39 0.50 0.47 0.00 0.00 0.00 174.94 177.06 2huf n ASP 198 N 2.72 0.43 -3.76 3.58 8.00 0.34 -4.64 116.55 123.22 2huf n ASP 198 Ca -0.04 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 2huf n ASP 198 Cb 0.50 0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 42.23 2huf n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2huf s ALA 199 N -2.85 -0.73 -0.09 2.24 0.00 -0.80 -0.33 121.76 119.20 2huf s ALA 199 Ca -0.06 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2huf s ALA 199 Cb 0.09 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.73 2huf s ALA 199 CO 0.84 -0.15 0.49 1.41 0.00 0.00 0.00 175.76 178.34 2huf s MET 200 N 0.34 0.75 0.06 0.00 0.00 -0.49 -0.79 119.30 119.17 2huf s MET 200 Ca -0.01 0.26 -0.05 0.00 0.00 0.00 0.00 55.69 55.88 2huf s MET 200 Cb -0.03 0.35 -0.02 0.00 0.00 0.00 0.00 34.83 35.13 2huf s MET 200 CO -0.01 -0.19 0.08 1.52 0.00 0.00 0.00 175.02 176.42 2huf s TYR 201 N -0.72 0.31 0.37 4.11 1.13 -1.17 -0.65 117.35 120.73 2huf s TYR 201 Ca -0.08 -0.76 0.05 0.00 -1.41 0.00 0.00 57.07 54.87 2huf s TYR 201 Cb -0.03 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 2huf s TYR 201 CO 0.05 -0.44 0.20 0.99 -2.51 0.00 0.00 175.55 173.84 2huf s THR 202 N -3.59 0.28 0.25 -3.49 2.01 -0.75 -1.04 115.64 109.31 2huf s THR 202 Ca 0.03 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.11 2huf s THR 202 Cb 0.05 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2huf s THR 202 CO -0.09 0.00 0.14 -0.83 -0.69 0.00 0.00 174.62 173.15 2huf s GLY 203 N -3.50 1.48 0.13 4.40 0.00 -1.26 -3.78 107.32 104.80 2huf s GLY 203 Ca 0.31 -1.48 0.13 0.00 0.00 0.00 0.00 44.72 43.69 2huf s GLY 203 CO 0.21 -1.53 1.11 1.48 0.00 0.00 0.00 173.10 174.37 2huf h SER 204 N 1.62 0.00 -0.97 1.64 4.64 -1.83 -3.44 113.55 115.21 2huf h SER 204 Ca -0.47 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.23 2huf h SER 204 Cb 1.24 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.03 2huf h SER 204 CO 0.61 0.70 0.71 0.00 -0.87 0.00 0.00 176.83 177.98 2huf n GLN 205 N -3.12 2.61 -0.21 4.77 0.00 -1.25 -0.89 117.38 119.29 2huf n GLN 205 Ca -0.05 -3.27 0.19 0.00 0.00 0.00 0.00 57.00 53.88 2huf n GLN 205 Cb 0.86 -2.25 0.33 0.00 0.00 0.00 0.00 30.24 29.18 2huf n GLN 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2huf n VAL 207 N -0.97 -0.18 0.12 -0.39 0.31 -1.26 -0.75 118.33 115.22 2huf n VAL 207 Ca 0.60 1.01 0.01 0.00 -0.01 0.00 0.00 64.34 65.95 2huf n VAL 207 Cb 0.93 -1.64 0.34 0.00 -0.91 0.00 0.00 33.84 32.56 2huf n VAL 207 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2huf h LEU 208 N 0.00 0.20 0.72 7.52 4.07 -1.85 -3.20 115.31 122.78 2huf h LEU 208 Ca 0.46 -0.05 -0.25 0.00 0.08 0.00 0.00 57.88 58.11 2huf h LEU 208 Cb 1.34 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 42.94 2huf h LEU 208 CO -0.32 0.44 -0.24 0.61 -1.08 0.00 0.00 178.44 177.86 2huf n GLY 209 N -0.65 1.15 3.87 0.83 0.00 -1.17 -4.81 105.19 104.42 2huf n GLY 209 Ca -0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 2huf n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf s ALA 210 N -2.47 2.33 0.66 4.61 0.00 -0.07 -4.17 121.76 122.65 2huf s ALA 210 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2huf s ALA 210 Cb 0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 2huf s ALA 210 CO 0.00 -2.00 1.27 -1.25 0.00 0.00 0.00 175.76 173.78 2huf s PRO 211 N -5.57 2.52 0.88 0.00 0.04 -1.26 -3.80 135.00 127.81 2huf s PRO 211 Ca 0.65 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 2huf s PRO 211 Cb -0.10 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2huf s PRO 211 CO 0.51 -1.60 1.14 -2.14 0.04 0.00 0.00 177.00 174.95 2huf s PRO 212 N -3.47 1.32 0.00 0.56 0.02 -1.26 -4.27 135.00 127.89 2huf s PRO 212 Ca 0.80 1.47 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2huf s PRO 212 Cb -0.35 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2huf s PRO 212 CO 0.40 -2.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 2huf n GLY 213 N -0.10 0.86 2.89 0.52 0.00 -1.26 -5.01 105.19 103.08 2huf n GLY 213 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 2huf n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2huf s ILE 214 N -2.00 0.35 -0.16 -0.61 1.09 -1.14 -2.58 121.20 116.14 2huf s ILE 214 Ca 0.00 -0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 59.47 2huf s ILE 214 Cb 0.00 -0.37 0.04 0.00 -1.06 0.00 0.00 42.46 41.07 2huf s ILE 214 CO 0.00 0.15 -0.06 0.28 -0.10 0.00 0.00 174.94 175.22 2huf s THR 215 N 0.58 1.08 0.29 2.92 -1.32 -0.08 -3.71 115.64 115.40 2huf s THR 215 Ca -0.06 -0.56 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 2huf s THR 215 Cb -0.10 -1.23 -0.11 0.00 -1.51 0.00 0.00 72.50 69.55 2huf s THR 215 CO -0.01 0.17 1.60 -2.84 -2.21 0.00 0.00 174.62 171.34 2huf s PRO 216 N 1.65 4.12 0.03 7.08 0.02 -1.25 -0.16 135.00 146.49 2huf s PRO 216 Ca 0.02 2.59 -0.01 0.00 0.02 0.00 0.00 61.00 63.61 2huf s PRO 216 Cb -0.15 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2huf s PRO 216 CO -0.08 -0.64 0.00 0.14 -0.33 0.00 0.00 177.00 176.09 2huf s VAL 217 N 0.02 0.13 -0.03 3.83 -7.23 0.48 -1.82 120.40 115.77 2huf s VAL 217 Ca 0.64 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 59.65 2huf s VAL 217 Cb -0.48 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 35.92 2huf s VAL 217 CO 0.48 -0.58 0.23 -0.55 -0.31 0.00 0.00 175.10 174.36 2huf s SER 218 N -1.77 -0.14 -0.03 4.85 0.15 0.18 -1.48 113.70 115.46 2huf s SER 218 Ca -0.11 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.69 2huf s SER 218 Cb -0.06 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2huf s SER 218 CO -0.03 -0.30 -0.11 -0.36 1.20 0.00 0.00 173.24 173.65 2huf s PHE 219 N -0.87 1.12 0.89 3.44 0.08 0.00 -1.39 117.98 121.24 2huf s PHE 219 Ca -0.10 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 2huf s PHE 219 Cb -0.05 -0.79 0.13 0.00 -0.57 0.00 0.00 43.02 41.74 2huf s PHE 219 CO 0.02 -0.12 1.15 -1.54 -0.10 0.00 0.00 175.22 174.63 2huf s SER 220 N 0.20 3.72 0.27 1.36 1.04 0.55 -4.17 113.70 116.68 2huf s SER 220 Ca -0.04 0.89 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 2huf s SER 220 Cb -0.10 -1.43 0.53 0.00 0.10 0.00 0.00 66.02 65.13 2huf s SER 220 CO 0.01 -2.41 1.80 -0.74 0.98 0.00 0.00 173.24 172.88 2huf h HIS 221 N -1.40 0.93 -0.47 5.02 2.76 -1.96 -0.64 115.15 119.40 2huf h HIS 221 Ca -0.49 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.71 2huf h HIS 221 Cb 1.33 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 2huf h HIS 221 CO 0.23 0.30 0.27 0.00 -1.30 0.00 0.00 177.93 177.43 2huf h ARG 222 N 0.78 0.64 -0.60 5.26 3.08 -1.93 0.10 114.38 121.73 2huf h ARG 222 Ca 0.47 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 2huf h ARG 222 Cb 0.57 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2huf h ARG 222 CO -0.31 0.49 0.34 0.00 -1.07 0.00 0.00 179.97 179.42 2huf h ALA 223 N 1.11 0.76 -0.73 0.04 0.00 -1.68 -0.61 119.26 118.16 2huf h ALA 223 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2huf h ALA 223 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2huf h ALA 223 CO -0.03 0.26 0.34 0.28 0.00 0.00 0.00 179.25 180.10 2huf h VAL 224 N 0.81 1.24 -0.76 0.00 2.07 -0.73 -0.05 116.25 118.84 2huf h VAL 224 Ca 0.21 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2huf h VAL 224 Cb 0.01 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2huf h VAL 224 CO -0.04 0.29 0.49 -0.33 0.02 0.00 0.00 177.57 178.00 2huf h GLU 225 N 1.02 1.00 -0.29 1.57 4.39 -0.57 0.41 114.58 122.12 2huf h GLU 225 Ca 0.25 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.90 2huf h GLU 225 Cb 0.14 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2huf h GLU 225 CO -0.03 0.68 0.12 -0.09 -1.16 0.00 0.00 179.01 178.53 2huf h ARG 226 N 1.03 0.25 -0.39 2.33 9.65 -0.50 -1.80 114.38 124.95 2huf h ARG 226 Ca 0.27 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.20 2huf h ARG 226 Cb -0.09 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.38 2huf h ARG 226 CO -0.06 0.17 0.09 -0.92 2.80 0.00 0.00 179.97 182.05 2huf h TYR 227 N 0.26 0.15 0.00 2.20 5.03 -0.35 -2.35 116.97 121.91 2huf h TYR 227 Ca 0.13 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 2huf h TYR 227 Cb 0.08 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 2huf h TYR 227 CO -0.12 0.03 -0.07 0.87 -1.32 0.00 0.00 178.16 177.55 2huf h LYS 228 N 0.22 0.00 -0.32 1.82 1.57 -0.55 -2.31 116.57 117.01 2huf h LYS 228 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2huf h LYS 228 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2huf h LYS 228 CO -0.23 0.07 0.00 2.89 -0.57 0.00 0.00 179.45 181.61 2huf n ARG 229 N -3.87 1.87 -1.80 3.15 1.85 -0.71 -4.93 116.66 112.22 2huf n ARG 229 Ca -0.02 -1.33 -0.38 0.00 -1.00 0.00 0.00 57.85 55.11 2huf n ARG 229 Cb 0.17 -1.34 0.04 0.00 -1.05 0.00 0.00 32.46 30.27 2huf n ARG 229 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2huf s ARG 230 N -1.58 3.19 0.00 2.89 0.52 -0.87 -4.93 118.95 118.17 2huf s ARG 230 Ca 0.29 2.23 0.13 0.00 -0.52 0.00 0.00 55.73 57.86 2huf s ARG 230 Cb 0.15 -2.28 0.19 0.00 0.52 0.00 0.00 34.95 33.53 2huf s ARG 230 CO 0.21 -1.15 1.04 0.27 0.02 0.00 0.00 175.30 175.69 2huf n ASN 231 N -0.96 2.42 -4.10 0.23 0.23 -1.26 -4.97 115.26 106.85 2huf n ASN 231 Ca 0.10 -1.70 -0.18 0.00 -0.53 0.00 0.00 54.58 52.28 2huf n ASN 231 Cb 0.45 -0.09 -0.13 0.00 -2.08 0.00 0.00 39.78 37.93 2huf n ASN 231 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2huf s THR 232 N -1.06 0.86 0.46 5.53 -4.23 -1.26 -5.14 115.64 110.80 2huf s THR 232 Ca 0.19 -0.90 -0.24 0.00 -1.18 0.00 0.00 61.69 59.56 2huf s THR 232 Cb 0.12 -0.81 -0.07 0.00 1.34 0.00 0.00 72.50 73.08 2huf s THR 232 CO 0.17 -0.08 1.31 -0.54 -0.54 0.00 0.00 174.62 174.95 2huf s LYS 233 N -1.10 3.67 0.48 3.99 -0.14 -1.26 -4.97 119.74 120.41 2huf s LYS 233 Ca -0.01 2.15 -0.24 0.00 -1.36 0.00 0.00 55.97 56.52 2huf s LYS 233 Cb -0.07 -2.55 -0.07 0.00 -1.68 0.00 0.00 37.83 33.46 2huf s LYS 233 CO 0.01 -0.74 1.34 0.14 -0.76 0.00 0.00 175.35 175.35 2huf s VAL 234 N -1.31 2.30 0.02 3.17 -7.23 -1.26 -4.89 120.40 111.20 2huf s VAL 234 Ca 0.62 0.24 0.30 0.00 -1.81 0.00 0.00 61.98 61.34 2huf s VAL 234 Cb -0.38 -3.13 0.36 0.00 0.56 0.00 0.00 36.38 33.79 2huf s VAL 234 CO 0.47 0.01 1.90 0.11 -0.31 0.00 0.00 175.10 177.29 2huf h LYS 235 N 1.98 0.00 -4.15 4.82 1.57 -1.94 -3.40 116.57 115.46 2huf h LYS 235 Ca -0.50 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.70 2huf h LYS 235 Cb 1.27 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.20 2huf h LYS 235 CO 0.60 0.04 -0.78 0.54 -0.57 0.00 0.00 179.45 179.27 2huf s VAL 236 N -3.59 1.21 0.29 0.50 0.11 -1.26 -4.99 120.40 112.66 2huf s VAL 236 Ca 0.02 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2huf s VAL 236 Cb 0.09 -1.49 0.29 0.00 -1.53 0.00 0.00 36.38 33.73 2huf s VAL 236 CO 0.58 -0.04 1.69 0.22 -3.33 0.00 0.00 175.10 174.21 2huf h TYR 237 N 8.06 0.57 -0.14 1.54 3.20 -1.98 -1.28 116.97 126.94 2huf h TYR 237 Ca -0.20 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2huf h TYR 237 Cb 1.09 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2huf h TYR 237 CO 0.44 -0.08 0.13 -0.92 -1.64 0.00 0.00 178.16 176.09 2huf h TYR 238 N 0.35 0.00 -0.02 -3.82 3.20 -1.97 -2.52 116.97 112.20 2huf h TYR 238 Ca 0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 2huf h TYR 238 Cb 1.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2huf h TYR 238 CO -0.17 0.00 -0.04 0.91 -1.64 0.00 0.00 178.16 177.22 2huf n TRP 239 N -4.05 0.00 -1.88 -3.82 5.03 -0.51 -4.92 117.44 107.28 2huf n TRP 239 Ca 0.00 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.11 2huf n TRP 239 Cb 0.25 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.50 2huf n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2huf s ASP 240 N -1.33 6.43 0.32 -0.99 -1.08 -0.95 -4.87 116.67 114.20 2huf s ASP 240 Ca 0.17 2.23 0.00 0.00 -0.52 0.00 0.00 52.55 54.43 2huf s ASP 240 Cb 0.13 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 2huf s ASP 240 CO 0.21 -1.13 1.97 -0.03 0.52 0.00 0.00 175.17 176.72 2huf h MET 241 N 10.63 0.94 -0.43 4.34 1.85 -1.92 -0.33 114.93 130.01 2huf h MET 241 Ca -0.42 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 58.49 2huf h MET 241 Cb 1.20 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 2huf h MET 241 CO 0.96 0.64 -0.16 1.03 -0.40 0.00 0.00 176.91 178.98 2huf h SER 242 N 0.96 0.89 -0.02 1.39 0.87 -1.97 0.11 113.55 115.77 2huf h SER 242 Ca 0.26 -0.38 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 2huf h SER 242 Cb -0.07 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2huf h SER 242 CO -0.05 1.07 -0.57 -0.07 -0.53 0.00 0.00 176.83 176.68 2huf h LEU 243 N 0.70 0.52 -0.61 2.23 3.38 -1.78 -0.78 115.31 118.97 2huf h LEU 243 Ca 0.10 -0.74 -0.11 0.00 0.09 0.00 0.00 57.88 57.22 2huf h LEU 243 Cb 0.71 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2huf h LEU 243 CO 0.05 1.20 -0.07 1.62 0.09 0.00 0.00 178.44 181.33 2huf h VAL 244 N -0.10 1.27 -0.95 1.22 3.04 -1.14 -2.02 116.25 117.58 2huf h VAL 244 Ca -0.07 -1.21 0.04 0.00 -1.01 0.00 0.00 66.70 64.45 2huf h VAL 244 Cb 1.27 0.90 -0.06 0.00 -2.01 0.00 0.00 31.29 31.39 2huf h VAL 244 CO 0.11 0.43 0.61 1.23 -1.01 0.00 0.00 177.57 178.95 2huf h GLY 245 N 0.96 1.39 0.99 3.17 0.00 -0.79 -0.72 103.07 108.07 2huf h GLY 245 Ca 0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2huf h GLY 245 CO 0.04 0.38 0.07 -0.55 0.00 0.00 0.00 176.54 176.48 2huf h ASP 246 N 1.17 0.80 -0.82 0.19 3.32 -0.86 -0.40 116.42 119.83 2huf h ASP 246 Ca 0.38 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2huf h ASP 246 Cb 0.04 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2huf h ASP 246 CO -0.13 0.87 0.53 0.22 -1.72 0.00 0.00 179.24 179.01 2huf h TYR 247 N 0.71 1.04 -0.15 4.55 3.20 -0.93 -2.09 116.97 123.30 2huf h TYR 247 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2huf h TYR 247 Cb 0.41 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2huf h TYR 247 CO 0.03 0.67 0.00 0.91 -1.64 0.00 0.00 178.16 178.13 2huf n TRP 248 N -4.40 0.20 -2.60 -3.82 7.02 -0.31 -4.86 117.44 108.67 2huf n TRP 248 Ca 0.09 -0.10 -0.08 0.00 -1.02 0.00 0.00 57.50 56.39 2huf n TRP 248 Cb 0.03 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 28.94 2huf n TRP 248 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2huf n GLY 249 N 0.92 0.30 0.09 6.99 0.00 -0.54 -4.88 105.19 108.07 2huf n GLY 249 Ca 0.11 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.71 2huf n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2huf n PHE 251 N -2.76 0.00 -0.96 0.00 3.72 -1.26 -4.69 117.46 111.50 2huf n PHE 251 Ca -0.11 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2huf n PHE 251 Cb 0.81 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 2huf n PHE 251 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2huf n GLY 252 N -0.60 0.66 3.94 1.37 0.00 -1.26 -5.03 105.19 104.27 2huf n GLY 252 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2huf n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2huf s ARG 253 N -0.20 2.90 0.52 1.61 0.52 -1.26 -5.05 118.95 117.99 2huf s ARG 253 Ca 0.00 -0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 54.64 2huf s ARG 253 Cb 0.00 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.99 2huf s ARG 253 CO 0.00 -0.53 1.36 -2.14 0.02 0.00 0.00 175.30 174.01 2huf s PRO 254 N -4.77 3.28 0.14 3.54 0.02 -1.26 -4.94 135.00 131.01 2huf s PRO 254 Ca 0.52 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 2huf s PRO 254 Cb -0.10 -2.34 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 2huf s PRO 254 CO 0.41 -1.08 1.22 1.03 -0.33 0.00 0.00 177.00 178.25 2huf s ARG 255 N -2.81 4.46 0.32 5.54 1.81 -1.26 -4.81 118.95 122.19 2huf s ARG 255 Ca 0.69 1.86 0.05 0.00 -1.72 0.00 0.00 55.73 56.62 2huf s ARG 255 Cb -0.40 -3.27 -0.02 0.00 -0.45 0.00 0.00 34.95 30.80 2huf s ARG 255 CO 0.48 -0.18 0.19 0.44 -0.68 0.00 0.00 175.30 175.56 2huf n ILE 256 N 3.10 0.00 -2.38 1.52 -5.35 -1.26 -5.03 119.36 109.96 2huf n ILE 256 Ca 0.06 -2.07 -0.42 0.00 -0.27 0.00 0.00 62.75 60.05 2huf n ILE 256 Cb 0.45 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.23 2huf n ILE 256 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2huf s TYR 257 N -3.03 2.95 -0.03 4.28 5.04 -1.26 -4.62 117.35 120.68 2huf s TYR 257 Ca 0.27 1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 2huf s TYR 257 Cb 0.01 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.78 2huf s TYR 257 CO 0.19 -1.79 -0.08 1.58 -1.34 0.00 0.00 175.55 174.11 2huf n HIS 258 N 5.77 0.00 -3.60 4.97 -0.00 -1.26 -5.08 115.22 116.03 2huf n HIS 258 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.75 2huf n HIS 258 Cb 0.45 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.99 30.23 2huf n HIS 258 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2huf s HIS 259 N -2.16 -0.40 -0.53 1.57 -3.43 -1.26 -5.06 115.29 104.03 2huf s HIS 259 Ca -0.08 0.09 -0.28 0.00 -0.80 0.00 0.00 55.06 53.98 2huf s HIS 259 Cb 0.03 0.62 0.03 0.00 -1.43 0.00 0.00 32.58 31.82 2huf s HIS 259 CO 0.11 -1.00 1.23 0.99 -2.00 0.00 0.00 174.74 174.06 2huf s THR 260 N -3.81 4.04 0.62 -5.38 2.01 -1.26 -5.00 115.64 106.85 2huf s THR 260 Ca 0.05 0.98 -0.17 0.00 0.31 0.00 0.00 61.69 62.86 2huf s THR 260 Cb -0.03 -4.60 -0.02 0.00 0.01 0.00 0.00 72.50 67.86 2huf s THR 260 CO -0.05 -1.15 1.17 0.27 -0.69 0.00 0.00 174.62 174.17 2huf s ILE 261 N 4.99 2.85 -0.67 1.82 -5.25 -1.26 -4.95 121.20 118.73 2huf s ILE 261 Ca 0.48 0.48 -0.27 0.00 -0.99 0.00 0.00 60.65 60.34 2huf s ILE 261 Cb -0.08 -3.11 0.03 0.00 2.95 0.00 0.00 42.46 42.25 2huf s ILE 261 CO 0.28 -0.16 1.22 -0.55 -1.79 0.00 0.00 174.94 173.94 2huf s SER 262 N -1.93 6.28 0.24 4.36 0.15 -1.26 -4.81 113.70 116.74 2huf s SER 262 Ca 0.73 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 2huf s SER 262 Cb -0.26 -2.55 0.34 0.00 -1.71 0.00 0.00 66.02 61.84 2huf s SER 262 CO 0.35 -1.66 1.59 0.28 1.20 0.00 0.00 173.24 175.00 2huf h SER 263 N 9.79 -0.83 -0.22 5.45 0.02 -1.92 -1.14 113.55 124.70 2huf h SER 263 Ca -0.27 0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2huf h SER 263 Cb 1.05 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 2huf h SER 263 CO 1.23 -0.28 0.13 0.74 -1.14 0.00 0.00 176.83 177.52 2huf h THR 264 N -0.01 1.03 -0.25 -2.27 2.02 -1.92 -0.01 112.91 111.52 2huf h THR 264 Ca 0.39 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 2huf h THR 264 Cb 0.61 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2huf h THR 264 CO -0.86 0.05 -0.30 -0.07 0.37 0.00 0.00 175.52 174.71 2huf h LEU 265 N 0.28 0.52 -0.34 2.58 3.38 -1.81 -2.27 115.31 117.64 2huf h LEU 265 Ca 0.08 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2huf h LEU 265 Cb -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2huf h LEU 265 CO -0.03 0.80 0.06 -0.07 0.09 0.00 0.00 178.44 179.29 2huf h LEU 266 N 0.44 -0.01 -0.06 1.67 3.38 -0.40 0.09 115.31 120.42 2huf h LEU 266 Ca 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2huf h LEU 266 Cb 0.75 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2huf h LEU 266 CO 0.06 0.03 0.04 1.88 0.09 0.00 0.00 178.44 180.54 2huf h TYR 267 N 0.17 0.08 -0.51 1.13 0.05 -0.71 0.27 116.97 117.45 2huf h TYR 267 Ca 0.16 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 2huf h TYR 267 Cb 0.19 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2huf h TYR 267 CO -0.19 0.09 0.28 0.78 -1.05 0.00 0.00 178.16 178.07 2huf h GLY 268 N 0.04 0.76 0.94 3.88 0.00 -1.28 -1.78 103.07 105.64 2huf h GLY 268 Ca 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2huf h GLY 268 CO -0.00 0.33 0.04 -2.00 0.00 0.00 0.00 176.54 174.91 2huf h LEU 269 N 0.68 0.66 -0.32 3.11 5.85 -0.74 -1.26 115.31 123.30 2huf h LEU 269 Ca 0.18 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2huf h LEU 269 Cb 0.05 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2huf h LEU 269 CO -0.03 0.78 0.01 -0.09 -0.34 0.00 0.00 178.44 178.77 2huf h ARG 270 N 0.53 0.10 -0.57 1.25 1.12 -0.29 0.81 114.38 117.33 2huf h ARG 270 Ca 0.12 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.89 2huf h ARG 270 Cb 0.42 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.33 2huf h ARG 270 CO 0.01 0.06 -0.03 0.93 -3.11 0.00 0.00 179.97 177.84 2huf h GLU 271 N 0.10 1.00 -0.45 0.20 4.39 -1.22 0.23 114.58 118.84 2huf h GLU 271 Ca 0.15 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2huf h GLU 271 Cb 0.20 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2huf h GLU 271 CO -0.25 1.00 0.15 0.00 -1.16 0.00 0.00 179.01 178.75 2huf h ALA 272 N 1.05 0.58 -0.50 3.43 0.00 -0.81 -1.19 119.26 121.81 2huf h ALA 272 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2huf h ALA 272 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2huf h ALA 272 CO 0.03 0.22 0.02 0.82 0.00 0.00 0.00 179.25 180.34 2huf h ILE 273 N 0.58 1.26 -0.48 0.00 2.04 -0.70 -1.91 117.51 118.30 2huf h ILE 273 Ca 0.15 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2huf h ILE 273 Cb 0.24 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2huf h ILE 273 CO -0.01 0.37 0.20 0.00 0.00 0.00 0.00 178.15 178.71 2huf h ALA 274 N 0.94 0.59 -0.76 1.87 0.00 -0.72 0.10 119.26 121.28 2huf h ALA 274 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2huf h ALA 274 Cb 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2huf h ALA 274 CO 0.02 -0.17 0.40 0.52 0.00 0.00 0.00 179.25 180.02 2huf h MET 275 N 0.40 1.08 -0.43 0.00 2.86 -1.01 -0.78 114.93 117.05 2huf h MET 275 Ca 0.22 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2huf h MET 275 Cb 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2huf h MET 275 CO -0.19 0.81 -0.05 0.00 1.06 0.00 0.00 176.91 178.54 2huf h ALA 276 N 1.21 0.58 -0.71 6.32 0.00 -0.89 -2.12 119.26 123.64 2huf h ALA 276 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2huf h ALA 276 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2huf h ALA 276 CO -0.04 0.42 0.33 0.00 0.00 0.00 0.00 179.25 179.96 2huf h GLU 278 N 1.00 0.12 -0.66 0.00 5.08 -1.02 -2.64 114.58 116.45 2huf h GLU 278 Ca 0.24 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2huf h GLU 278 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2huf h GLU 278 CO -0.03 0.08 0.27 1.49 -1.00 0.00 0.00 179.01 179.82 2huf h GLU 279 N 0.12 0.98 0.00 2.33 4.81 -1.19 -3.50 114.58 118.13 2huf h GLU 279 Ca 0.15 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2huf h GLU 279 Cb 0.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2huf h GLU 279 CO -0.24 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 179.27 2huf n GLY 280 N -0.86 -0.71 0.23 1.92 0.00 -0.33 -4.49 105.19 100.95 2huf n GLY 280 Ca 0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 2huf n GLY 280 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2huf h LEU 281 N 0.00 0.40 -0.26 0.99 3.38 -1.87 -0.47 115.31 117.47 2huf h LEU 281 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2huf h LEU 281 Cb 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2huf h LEU 281 CO 0.00 0.26 -0.08 -0.65 0.09 0.00 0.00 178.44 178.06 2huf h PRO 282 N 0.54 -0.02 -0.16 1.13 0.11 -1.98 0.50 132.00 132.13 2huf h PRO 282 Ca 0.27 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.19 2huf h PRO 282 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2huf h PRO 282 CO -0.20 -0.01 -0.70 0.00 -0.21 0.00 0.00 178.00 176.88 2huf h ALA 283 N 1.24 0.47 0.06 -0.75 0.00 -1.76 -2.01 119.26 116.50 2huf h ALA 283 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2huf h ALA 283 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2huf h ALA 283 CO -0.28 0.71 -0.03 1.25 0.00 0.00 0.00 179.25 180.90 2huf h LEU 284 N 0.47 -0.07 -0.45 0.00 5.85 -0.75 -0.35 115.31 120.02 2huf h LEU 284 Ca -0.03 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 2huf h LEU 284 Cb 1.30 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2huf h LEU 284 CO 0.14 0.03 -0.55 0.16 -0.34 0.00 0.00 178.44 177.88 2huf h ILE 285 N -0.17 1.31 -0.93 4.05 -0.00 -0.85 -2.78 117.51 118.13 2huf h ILE 285 Ca -0.01 -1.78 0.02 0.00 -0.00 0.00 0.00 64.86 63.09 2huf h ILE 285 Cb 0.15 1.73 -0.05 0.00 -0.00 0.00 0.00 36.82 38.65 2huf h ILE 285 CO 0.01 0.56 0.62 0.00 -0.00 0.00 0.00 178.15 179.34 2huf h ALA 286 N 0.89 1.36 -0.43 0.16 0.00 -1.27 -0.96 119.26 119.00 2huf h ALA 286 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2huf h ALA 286 Cb 1.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2huf h ALA 286 CO 0.11 0.58 0.26 -0.09 0.00 0.00 0.00 179.25 180.11 2huf h ARG 287 N 1.23 0.58 -0.38 0.00 2.43 -0.90 0.22 114.38 117.56 2huf h ARG 287 Ca 0.35 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 2huf h ARG 287 Cb -0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2huf h ARG 287 CO -0.09 0.42 0.02 0.45 -1.51 0.00 0.00 179.97 179.26 2huf h HIS 288 N 0.57 0.72 -0.76 2.20 3.86 -1.20 -0.81 115.15 119.73 2huf h HIS 288 Ca 0.15 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2huf h HIS 288 Cb -0.01 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2huf h HIS 288 CO -0.04 0.74 0.36 0.93 0.86 0.00 0.00 177.93 180.78 2huf h GLU 289 N 0.49 1.09 -0.43 2.45 5.08 -0.98 -1.37 114.58 120.93 2huf h GLU 289 Ca 0.11 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2huf h GLU 289 Cb 0.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2huf h GLU 289 CO 0.02 0.86 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.12 2huf h ASP 290 N 1.07 1.02 -0.75 1.42 3.32 -0.43 -1.43 116.42 120.64 2huf h ASP 290 Ca 0.26 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2huf h ASP 290 Cb 0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2huf h ASP 290 CO -0.03 1.24 0.30 0.00 -1.72 0.00 0.00 179.24 179.02 2huf h ALA 292 N 1.22 0.70 -0.74 0.00 0.00 -1.04 -0.70 119.26 118.70 2huf h ALA 292 Ca 0.25 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2huf h ALA 292 Cb 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2huf h ALA 292 CO -0.02 0.50 0.44 -0.22 0.00 0.00 0.00 179.25 179.95 2huf h LYS 293 N 0.78 0.79 -0.54 0.00 1.63 -1.02 0.34 116.57 118.55 2huf h LYS 293 Ca 0.15 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2huf h LYS 293 Cb 0.49 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2huf h LYS 293 CO 0.02 0.52 0.24 -0.09 -3.45 0.00 0.00 179.45 176.70 2huf h ARG 294 N 0.81 0.79 -0.38 1.90 2.43 -0.97 -1.96 114.38 116.99 2huf h ARG 294 Ca 0.33 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2huf h ARG 294 Cb 0.16 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2huf h ARG 294 CO -0.17 0.66 0.21 1.25 -1.51 0.00 0.00 179.97 180.41 2huf h LEU 295 N 0.73 0.48 -0.88 3.80 5.85 -0.62 -1.91 115.31 122.75 2huf h LEU 295 Ca 0.18 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2huf h LEU 295 Cb 0.15 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2huf h LEU 295 CO -0.02 0.44 0.59 1.88 -0.34 0.00 0.00 178.44 180.98 2huf h TYR 296 N 0.49 1.11 -0.40 1.25 0.05 -0.70 0.11 116.97 118.88 2huf h TYR 296 Ca 0.13 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2huf h TYR 296 Cb 0.06 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 2huf h TYR 296 CO -0.02 0.70 0.17 0.07 -1.05 0.00 0.00 178.16 178.02 2huf h ARG 297 N 1.19 0.59 -0.38 4.88 -0.00 -1.14 0.08 114.38 119.60 2huf h ARG 297 Ca 0.33 -0.10 -0.04 0.00 -0.00 0.00 0.00 59.98 60.17 2huf h ARG 297 Cb -0.13 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 29.72 2huf h ARG 297 CO -0.07 0.54 0.09 0.78 -0.00 0.00 0.00 179.97 181.32 2huf h GLY 298 N 0.50 0.66 0.91 0.08 0.00 -0.77 -0.59 103.07 103.87 2huf h GLY 298 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2huf h GLY 298 CO -0.01 0.39 -0.02 1.41 0.00 0.00 0.00 176.54 178.30 2huf h LEU 299 N 0.48 0.61 -0.40 3.11 3.38 -0.65 -2.72 115.31 119.11 2huf h LEU 299 Ca 0.12 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 2huf h LEU 299 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2huf h LEU 299 CO 0.00 0.79 -0.72 1.56 0.09 0.00 0.00 178.44 180.16 2huf h GLN 300 N 0.42 0.44 0.00 1.13 4.20 -0.91 -1.60 115.11 118.79 2huf h GLN 300 Ca 0.09 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 2huf h GLN 300 Cb 0.49 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2huf h GLN 300 CO 0.02 0.99 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.61 2huf h ASP 301 N 0.30 0.00 -0.04 1.46 3.32 -1.12 -1.67 116.42 118.66 2huf h ASP 301 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2huf h ASP 301 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2huf h ASP 301 CO 0.13 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 2huf n ALA 302 N -2.50 2.59 -0.60 3.45 0.00 -0.96 -4.93 120.51 117.56 2huf n ALA 302 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2huf n ALA 302 Cb 0.19 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2huf n ALA 302 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2huf n GLY 303 N 1.10 0.72 3.82 0.00 0.00 -0.63 -5.06 105.19 105.14 2huf n GLY 303 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2huf n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2huf s PHE 304 N -2.21 3.26 -0.18 1.61 0.40 -0.64 -5.01 117.98 115.21 2huf s PHE 304 Ca 0.00 1.51 -0.03 0.00 -0.60 0.00 0.00 56.93 57.81 2huf s PHE 304 Cb 0.00 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 2huf s PHE 304 CO 0.00 -0.59 -0.07 -2.00 0.70 0.00 0.00 175.22 173.26 2huf s GLU 305 N -3.86 3.42 0.29 0.44 2.12 -1.26 -4.38 118.70 115.47 2huf s GLU 305 Ca 0.61 -0.63 -0.27 0.00 0.36 0.00 0.00 54.97 55.05 2huf s GLU 305 Cb -0.12 -2.88 -0.09 0.00 0.26 0.00 0.00 34.13 31.30 2huf s GLU 305 CO 0.29 -0.01 0.93 -0.51 -0.54 0.00 0.00 175.26 175.42 2huf s LEU 306 N 0.97 4.43 -0.02 2.70 1.43 -1.26 -0.57 118.68 126.36 2huf s LEU 306 Ca -0.01 1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 54.73 2huf s LEU 306 Cb -0.15 -3.86 -0.30 0.00 0.03 0.00 0.00 46.19 41.91 2huf s LEU 306 CO 0.00 0.01 0.97 0.22 0.23 0.00 0.00 176.35 177.78 2huf h TYR 307 N 3.48 0.64 -3.82 0.29 3.20 -1.54 -3.45 116.97 115.77 2huf h TYR 307 Ca -0.46 -0.44 -0.48 0.00 3.14 0.00 0.00 58.73 60.49 2huf h TYR 307 Cb 1.19 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 2huf h TYR 307 CO 0.62 1.31 0.31 0.00 -1.64 0.00 0.00 178.16 178.76 2huf s ALA 308 N -2.66 3.25 0.15 1.82 0.00 -1.26 -4.70 121.76 118.36 2huf s ALA 308 Ca -0.13 0.49 -0.34 0.00 0.00 0.00 0.00 51.96 51.98 2huf s ALA 308 Cb 0.02 -3.14 -0.16 0.00 0.00 0.00 0.00 23.12 19.85 2huf s ALA 308 CO 0.85 0.20 1.27 -3.47 0.00 0.00 0.00 175.76 174.61 2huf n ASP 309 N 0.71 1.68 -0.28 0.00 -0.08 0.00 -4.85 116.55 113.73 2huf n ASP 309 Ca 0.01 1.13 0.31 0.00 -1.51 0.00 0.00 54.79 54.73 2huf n ASP 309 Cb 0.50 -1.24 0.70 0.00 2.34 0.00 0.00 41.12 43.42 2huf n ASP 309 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2huf h PRO 310 N 3.99 0.07 0.00 -0.67 0.11 -1.94 0.46 132.00 134.02 2huf h PRO 310 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2huf h PRO 310 Cb 1.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2huf h PRO 310 CO 0.74 0.05 -0.02 0.36 -0.21 0.00 0.00 178.00 178.92 2huf n LYS 311 N -4.29 0.03 -0.08 1.05 2.85 -1.26 -3.98 118.16 112.48 2huf n LYS 311 Ca 0.23 0.02 0.06 0.00 -1.05 0.00 0.00 58.31 57.58 2huf n LYS 311 Cb 1.10 -1.53 0.09 0.00 -0.65 0.00 0.00 35.03 34.04 2huf n LYS 311 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2huf n ASP 312 N -1.58 2.02 -4.75 -5.58 8.00 0.15 -5.02 116.55 109.79 2huf n ASP 312 Ca 0.07 -2.68 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 2huf n ASP 312 Cb 0.35 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2huf n ASP 312 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2huf s ARG 313 N -2.11 4.61 -0.24 -1.24 0.52 -1.19 -0.11 118.95 119.18 2huf s ARG 313 Ca 0.21 1.79 -0.18 0.00 -0.52 0.00 0.00 55.73 57.03 2huf s ARG 313 Cb 0.18 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 2huf s ARG 313 CO 0.02 0.13 0.50 -1.17 0.02 0.00 0.00 175.30 174.80 2huf s LEU 314 N -0.95 4.09 0.33 2.53 2.96 -0.53 -4.36 118.68 122.75 2huf s LEU 314 Ca 0.47 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.98 2huf s LEU 314 Cb -0.31 -2.66 0.65 0.00 0.50 0.00 0.00 46.19 44.37 2huf s LEU 314 CO 0.39 -0.24 1.93 0.77 -1.32 0.00 0.00 176.35 177.88 2huf h SER 315 N 7.80 0.77 1.67 3.68 4.64 -1.90 -3.09 113.55 127.11 2huf h SER 315 Ca -0.31 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2huf h SER 315 Cb 1.15 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2huf h SER 315 CO 0.72 0.49 -0.34 0.71 -0.87 0.00 0.00 176.83 177.54 2huf h THR 316 N 0.87 0.13 -3.24 2.95 1.35 -1.85 -3.41 112.91 109.71 2huf h THR 316 Ca 0.35 -1.20 -0.47 0.00 -0.55 0.00 0.00 66.41 64.55 2huf h THR 316 Cb 0.26 1.95 -0.39 0.00 -1.73 0.00 0.00 68.15 68.24 2huf h THR 316 CO -0.13 0.08 -0.76 -0.69 -0.25 0.00 0.00 175.52 173.76 2huf s VAL 317 N -3.20 0.37 -0.27 6.82 1.01 -1.17 -0.95 120.40 123.01 2huf s VAL 317 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 2huf s VAL 317 Cb 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2huf s VAL 317 CO 0.71 0.01 0.06 -0.89 0.00 0.00 0.00 175.10 175.00 2huf s THR 318 N 1.95 4.05 -0.15 3.92 2.01 -0.37 -4.37 115.64 122.68 2huf s THR 318 Ca 0.02 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.37 2huf s THR 318 Cb -0.15 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2huf s THR 318 CO -0.07 0.22 0.55 0.42 -0.69 0.00 0.00 174.62 175.06 2huf s THR 319 N 1.55 5.11 -0.10 -0.82 -4.23 -1.26 -1.36 115.64 114.52 2huf s THR 319 Ca 0.05 1.07 0.03 0.00 -1.18 0.00 0.00 61.69 61.65 2huf s THR 319 Cb -0.16 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.81 2huf s THR 319 CO 0.02 0.22 -0.19 -0.51 -0.54 0.00 0.00 174.62 173.62 2huf s ILE 320 N 1.24 1.75 0.24 2.99 1.10 0.27 -1.32 121.20 127.47 2huf s ILE 320 Ca 0.27 -0.82 -0.31 0.00 -0.51 0.00 0.00 60.65 59.28 2huf s ILE 320 Cb -0.16 -1.55 -0.13 0.00 0.15 0.00 0.00 42.46 40.77 2huf s ILE 320 CO 0.11 0.49 1.56 0.29 -2.11 0.00 0.00 174.94 175.28 2huf n LYS 321 N 3.86 2.41 -2.23 3.50 5.02 0.27 -0.50 118.16 130.48 2huf n LYS 321 Ca -0.20 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 2huf n LYS 321 Cb 0.52 -2.61 -0.02 0.00 -0.02 0.00 0.00 35.03 32.89 2huf n LYS 321 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2huf s VAL 322 N 0.33 3.95 0.65 -0.18 1.01 -0.96 -4.64 120.40 120.57 2huf s VAL 322 Ca 0.70 1.15 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 2huf s VAL 322 Cb -0.58 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2huf s VAL 322 CO 0.44 -0.11 1.27 -2.84 0.00 0.00 0.00 175.10 173.87 2huf s PRO 323 N 3.77 2.53 -0.10 2.72 0.02 -1.26 -4.88 135.00 137.80 2huf s PRO 323 Ca 0.63 2.00 -0.40 0.00 0.02 0.00 0.00 61.00 63.25 2huf s PRO 323 Cb -0.27 -1.85 -0.18 0.00 0.02 0.00 0.00 34.50 32.22 2huf s PRO 323 CO 0.22 -1.59 1.36 0.00 -0.33 0.00 0.00 177.00 176.66 2huf n GLN 324 N -1.99 0.60 -0.90 5.54 0.00 -1.26 -1.84 117.38 117.53 2huf n GLN 324 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 57.00 57.37 2huf n GLN 324 Cb 0.49 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.93 2huf n GLN 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2huf n GLY 325 N 2.71 0.83 3.69 2.61 0.00 -1.26 -5.03 105.19 108.74 2huf n GLY 325 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2huf n GLY 325 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2huf s VAL 326 N -3.25 5.02 -0.55 1.61 -7.23 -0.76 -4.73 120.40 110.50 2huf s VAL 326 Ca 0.00 0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.99 2huf s VAL 326 Cb 0.00 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.73 2huf s VAL 326 CO 0.00 0.48 0.87 -0.62 -0.31 0.00 0.00 175.10 175.52 2huf s ASP 327 N 0.16 6.30 0.30 4.85 3.68 -1.26 -4.83 116.67 125.86 2huf s ASP 327 Ca 0.06 -0.55 -0.01 0.00 2.13 0.00 0.00 52.55 54.19 2huf s ASP 327 Cb -0.12 -2.40 0.45 0.00 -1.45 0.00 0.00 42.92 39.41 2huf s ASP 327 CO -0.00 -1.17 1.89 4.11 0.13 0.00 0.00 175.17 180.13 2huf h TRP 328 N 9.26 0.87 -0.51 -5.34 5.08 -1.96 -1.66 115.95 121.70 2huf h TRP 328 Ca -0.27 -0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.58 2huf h TRP 328 Cb 1.08 -0.27 -0.02 0.00 -3.00 0.00 0.00 29.16 26.95 2huf h TRP 328 CO 0.88 0.66 0.00 1.25 -1.28 0.00 0.00 178.44 179.95 2huf h LEU 329 N 0.86 0.88 -0.64 0.11 6.46 -1.99 -0.75 115.31 120.25 2huf h LEU 329 Ca 0.21 -0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 2huf h LEU 329 Cb 0.14 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 2huf h LEU 329 CO -0.02 0.97 0.21 0.50 -0.62 0.00 0.00 178.44 179.48 2huf h LYS 330 N 0.76 0.98 -0.26 1.25 1.63 -1.84 0.03 116.57 119.12 2huf h LYS 330 Ca 0.14 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2huf h LYS 330 Cb 0.52 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2huf h LYS 330 CO 0.03 0.85 0.14 0.00 -3.45 0.00 0.00 179.45 177.02 2huf h ALA 331 N 1.08 0.34 -0.53 5.00 0.00 -1.12 0.06 119.26 124.09 2huf h ALA 331 Ca 0.21 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2huf h ALA 331 Cb 0.27 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2huf h ALA 331 CO -0.01 -0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.31 2huf h ALA 332 N 1.01 0.66 -0.57 0.00 0.00 -0.86 -1.47 119.26 118.03 2huf h ALA 332 Ca 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2huf h ALA 332 Cb 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2huf h ALA 332 CO -0.01 -0.21 0.18 1.96 0.00 0.00 0.00 179.25 181.17 2huf h GLN 333 N 0.37 0.89 -0.70 0.00 4.20 -0.72 -1.71 115.11 117.44 2huf h GLN 333 Ca 0.26 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2huf h GLN 333 Cb 0.29 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 2huf h GLN 333 CO -0.27 0.80 0.43 -0.92 -0.67 0.00 0.00 178.83 178.20 2huf h TYR 334 N 0.81 0.79 -0.29 2.96 3.20 -0.59 0.14 116.97 123.99 2huf h TYR 334 Ca 0.19 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 2huf h TYR 334 Cb 0.28 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2huf h TYR 334 CO 0.02 0.43 -0.38 0.00 -1.64 0.00 0.00 178.16 176.60 2huf h ALA 335 N 1.31 0.79 -0.21 1.82 0.00 -0.87 -1.19 119.26 120.92 2huf h ALA 335 Ca 0.29 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2huf h ALA 335 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2huf h ALA 335 CO -0.13 0.65 -0.19 1.98 0.00 0.00 0.00 179.25 181.56 2huf h MET 336 N 0.56 0.50 -0.19 0.00 1.85 -1.01 -1.19 114.93 115.45 2huf h MET 336 Ca 0.05 -0.26 -0.15 0.00 -0.61 0.00 0.00 59.70 58.74 2huf h MET 336 Cb 0.90 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2huf h MET 336 CO 0.08 0.83 -0.50 0.87 -0.40 0.00 0.00 176.91 177.79 2huf h LYS 337 N 0.18 0.52 0.24 0.39 1.57 -0.90 -1.36 116.57 117.20 2huf h LYS 337 Ca 0.04 -0.30 -0.33 0.00 -1.87 0.00 0.00 60.65 58.18 2huf h LYS 337 Cb 0.73 0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.10 2huf h LYS 337 CO 0.05 0.90 -1.51 1.79 -0.57 0.00 0.00 179.45 180.11 2huf h THR 338 N 0.41 1.21 0.00 -0.16 1.35 -1.25 -3.41 112.91 111.05 2huf h THR 338 Ca 0.02 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2huf h THR 338 Cb 1.02 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 2huf h THR 338 CO 0.09 0.81 0.00 -1.22 -0.25 0.00 0.00 175.52 174.96 2huf n TYR 339 N -3.72 0.00 -2.92 4.73 4.02 -0.46 -4.99 117.16 113.82 2huf n TYR 339 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.49 2huf n TYR 339 Cb 1.08 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.42 2huf n TYR 339 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2huf n LEU 340 N -0.28 -2.13 -4.54 7.72 4.77 -0.51 -4.84 117.00 117.19 2huf n LEU 340 Ca 0.00 -0.21 -0.34 0.00 -0.03 0.00 0.00 56.01 55.44 2huf n LEU 340 Cb 0.05 -2.69 -0.12 0.00 -2.33 0.00 0.00 43.42 38.34 2huf n LEU 340 CO 0.00 0.10 -0.35 0.68 -1.33 0.00 0.00 177.39 176.48 2huf s VAL 341 N -3.03 3.89 -0.19 4.08 -7.23 -1.18 -1.18 120.40 115.56 2huf s VAL 341 Ca 0.24 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.80 2huf s VAL 341 Cb -0.11 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2huf s VAL 341 CO 0.29 0.54 0.72 -0.70 -0.31 0.00 0.00 175.10 175.64 2huf s GLU 342 N -0.11 4.25 0.03 4.82 2.12 0.12 -3.11 118.70 126.82 2huf s GLU 342 Ca 0.02 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.21 2huf s GLU 342 Cb -0.13 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 2huf s GLU 342 CO 0.03 -0.28 -0.18 0.96 -0.54 0.00 0.00 175.26 175.24 2huf s ILE 343 N 2.03 1.46 0.31 -3.70 -5.25 -1.26 -2.54 121.20 112.25 2huf s ILE 343 Ca 0.33 -1.04 0.09 0.00 -0.99 0.00 0.00 60.65 59.04 2huf s ILE 343 Cb -0.16 -1.27 -0.05 0.00 2.95 0.00 0.00 42.46 43.93 2huf s ILE 343 CO 0.11 0.20 0.01 -0.44 -1.79 0.00 0.00 174.94 173.03 2huf s SER 344 N -0.98 4.33 0.00 4.36 0.01 -1.14 -4.75 113.70 115.53 2huf s SER 344 Ca 0.06 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2huf s SER 344 Cb -0.08 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2huf s SER 344 CO 0.01 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2huf n GLY 345 N -0.94 1.13 0.98 3.44 0.00 -1.26 -0.81 105.19 107.74 2huf n GLY 345 Ca -0.05 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 2huf n GLY 345 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2huf n GLY 346 N 5.00 0.57 3.12 -0.02 0.00 -1.02 -3.73 105.19 109.10 2huf n GLY 346 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 2huf n GLY 346 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2huf s LEU 347 N 0.00 0.54 0.00 0.99 0.20 -1.26 -4.61 118.68 114.54 2huf s LEU 347 Ca 0.17 0.58 0.00 0.00 0.69 0.00 0.00 54.13 55.57 2huf s LEU 347 Cb -0.01 0.88 0.00 0.00 -0.43 0.00 0.00 46.19 46.63 2huf s LEU 347 CO 0.11 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.64 2huf n GLY 348 N 3.77 3.94 0.30 7.98 0.00 -1.26 -1.88 105.19 118.04 2huf n GLY 348 Ca -0.21 0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2huf n GLY 348 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2huf h PRO 349 N 0.00 0.00 -0.59 1.61 0.13 -1.94 -1.79 132.00 129.42 2huf h PRO 349 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2huf h PRO 349 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2huf h PRO 349 CO 0.00 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.05 2huf n THR 350 N -3.23 0.78 -1.79 1.56 -2.24 -0.79 -4.91 114.28 103.66 2huf n THR 350 Ca -0.01 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 2huf n THR 350 Cb 0.20 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2huf n THR 350 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2huf s ALA 351 N -1.22 3.88 0.00 6.98 0.00 -0.67 -1.19 121.76 129.54 2huf s ALA 351 Ca 0.43 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.93 2huf s ALA 351 Cb 0.23 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2huf s ALA 351 CO 0.31 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2huf n GLY 352 N 3.72 0.78 0.04 0.00 0.00 -1.26 -4.80 105.19 103.66 2huf n GLY 352 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2huf n GLY 352 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2huf n GLN 353 N -2.00 1.24 -4.09 1.61 6.02 -0.33 -4.94 117.38 114.89 2huf n GLN 353 Ca 0.00 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 2huf n GLN 353 Cb 0.00 -1.34 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 2huf n GLN 353 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2huf s VAL 354 N -2.61 0.25 0.24 5.09 -7.23 -1.16 -2.26 120.40 112.72 2huf s VAL 354 Ca -0.06 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2huf s VAL 354 Cb 0.06 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 2huf s VAL 354 CO 0.57 -0.96 0.47 -0.36 -0.31 0.00 0.00 175.10 174.51 2huf s PHE 355 N -3.76 3.48 -0.12 2.82 0.40 0.34 -2.45 117.98 118.69 2huf s PHE 355 Ca 0.06 0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 2huf s PHE 355 Cb 0.07 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2huf s PHE 355 CO -0.09 0.28 -0.12 1.03 0.70 0.00 0.00 175.22 177.01 2huf s ARG 356 N -3.37 2.01 -0.24 0.44 0.52 0.01 -0.57 118.95 117.76 2huf s ARG 356 Ca 0.42 -0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2huf s ARG 356 Cb -0.11 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 2huf s ARG 356 CO 0.29 -0.17 0.02 0.42 0.02 0.00 0.00 175.30 175.87 2huf s ILE 357 N 1.33 3.83 0.03 1.52 1.01 -0.46 -2.90 121.20 125.55 2huf s ILE 357 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 2huf s ILE 357 Cb -0.14 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.49 2huf s ILE 357 CO -0.06 0.36 0.55 -0.83 0.00 0.00 0.00 174.94 174.95 2huf s GLY 358 N 1.54 2.61 -0.43 6.18 0.00 0.40 -1.23 107.32 116.38 2huf s GLY 358 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.79 2huf s GLY 358 CO 0.00 0.52 0.18 1.08 0.00 0.00 0.00 173.10 174.88 2huf s LEU 359 N -0.71 3.89 -0.04 0.66 1.43 -0.12 -4.64 118.68 119.16 2huf s LEU 359 Ca 0.29 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.84 2huf s LEU 359 Cb -0.18 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.63 2huf s LEU 359 CO 0.17 -0.30 -0.01 -0.04 0.23 0.00 0.00 176.35 176.40 2huf s MET 360 N 0.38 0.47 7.11 1.70 -1.94 -1.26 -4.39 119.30 121.37 2huf s MET 360 Ca 0.15 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.16 2huf s MET 360 Cb -0.23 -0.63 0.00 0.00 2.01 0.00 0.00 34.83 35.98 2huf s MET 360 CO -0.05 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 2huf n GLY 361 N 4.25 3.20 0.32 -0.03 0.00 -1.21 -1.40 105.19 110.32 2huf n GLY 361 Ca -0.23 0.26 0.19 0.00 0.00 0.00 0.00 46.02 46.24 2huf n GLY 361 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2huf h GLN 362 N 0.00 0.00 -0.02 1.61 1.08 -1.82 -2.59 115.11 113.37 2huf h GLN 362 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2huf h GLN 362 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2huf h GLN 362 CO 0.00 0.01 -0.00 0.09 -0.95 0.00 0.00 178.83 177.97 2huf n ASN 363 N -3.39 2.42 -3.96 1.46 3.02 -0.49 -4.52 115.26 109.81 2huf n ASN 363 Ca -0.03 -1.81 -0.43 0.00 -0.03 0.00 0.00 54.58 52.29 2huf n ASN 363 Cb 0.09 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2huf n ASN 363 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2huf n ALA 364 N 0.89 5.21 -2.50 5.41 0.00 -0.98 -4.39 120.51 124.16 2huf n ALA 364 Ca 0.16 -4.53 -0.13 0.00 0.00 0.00 0.00 53.44 48.95 2huf n ALA 364 Cb 0.51 -2.71 -0.11 0.00 0.00 0.00 0.00 19.45 17.14 2huf n ALA 364 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2huf s THR 365 N -0.93 0.73 0.26 0.00 -4.23 -1.26 -4.81 115.64 105.40 2huf s THR 365 Ca 0.36 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2huf s THR 365 Cb 0.07 -1.23 0.26 0.00 1.34 0.00 0.00 72.50 72.94 2huf s THR 365 CO 0.04 -0.61 1.88 0.71 -0.54 0.00 0.00 174.62 176.11 2huf h THR 366 N 3.66 1.08 -0.60 3.99 1.35 -1.96 -0.23 112.91 120.19 2huf h THR 366 Ca -0.36 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2huf h THR 366 Cb 1.18 -0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 2huf h THR 366 CO 0.53 0.21 0.38 -0.33 -0.25 0.00 0.00 175.52 176.06 2huf h GLU 367 N 1.15 0.81 0.00 4.72 3.07 -1.96 -0.35 114.58 122.02 2huf h GLU 367 Ca 0.43 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 59.03 2huf h GLU 367 Cb 0.17 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2huf h GLU 367 CO -0.17 0.56 -0.91 0.00 -1.40 0.00 0.00 179.01 177.09 2huf h ARG 368 N 0.82 0.00 -0.18 2.33 3.08 -1.73 -0.56 114.38 118.14 2huf h ARG 368 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2huf h ARG 368 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2huf h ARG 368 CO -0.04 0.91 0.11 0.28 -1.07 0.00 0.00 179.97 180.16 2huf h VAL 369 N 0.00 1.07 -0.61 2.04 2.07 -0.91 -0.73 116.25 119.17 2huf h VAL 369 Ca -0.01 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2huf h VAL 369 Cb 1.68 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 2huf h VAL 369 CO 0.12 0.06 0.15 0.44 0.02 0.00 0.00 177.57 178.36 2huf h ASP 370 N 0.22 0.90 -0.05 0.57 3.32 -0.88 -1.33 116.42 119.17 2huf h ASP 370 Ca 0.06 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2huf h ASP 370 Cb 0.00 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2huf h ASP 370 CO -0.01 0.87 0.01 -0.09 -1.72 0.00 0.00 179.24 178.30 2huf h ARG 371 N 0.92 0.08 -0.43 3.56 9.65 -0.93 -1.72 114.38 125.49 2huf h ARG 371 Ca 0.20 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.02 2huf h ARG 371 Cb 0.32 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2huf h ARG 371 CO -0.00 0.28 0.09 -0.24 2.80 0.00 0.00 179.97 182.89 2huf h VAL 372 N -0.14 1.20 -0.42 0.20 3.04 -0.96 -0.46 116.25 118.71 2huf h VAL 372 Ca 0.01 -0.73 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2huf h VAL 372 Cb 0.24 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2huf h VAL 372 CO 0.00 0.27 0.26 -0.07 -1.01 0.00 0.00 177.57 177.01 2huf h LEU 373 N 0.64 0.51 0.11 3.16 3.38 -1.09 0.15 115.31 122.16 2huf h LEU 373 Ca 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2huf h LEU 373 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2huf h LEU 373 CO 0.00 0.42 -0.05 -0.61 0.09 0.00 0.00 178.44 178.29 2huf h GLN 374 N 0.56 -0.14 -0.45 1.13 4.15 -0.69 -1.84 115.11 117.82 2huf h GLN 374 Ca 0.15 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 2huf h GLN 374 Cb 0.00 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2huf h GLN 374 CO -0.03 0.04 -0.06 -0.24 -1.93 0.00 0.00 178.83 176.61 2huf h VAL 375 N -0.30 1.27 0.32 2.39 3.04 -0.98 -1.52 116.25 120.48 2huf h VAL 375 Ca -0.01 -1.15 -0.02 0.00 -1.01 0.00 0.00 66.70 64.50 2huf h VAL 375 Cb 0.25 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2huf h VAL 375 CO 0.02 0.40 -0.15 0.15 -1.01 0.00 0.00 177.57 176.98 2huf h PHE 376 N 0.69 -0.40 -0.68 3.17 3.57 -0.71 0.10 116.94 122.68 2huf h PHE 376 Ca 0.12 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.72 2huf h PHE 376 Cb 0.59 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 2huf h PHE 376 CO 0.04 -0.25 0.28 0.37 -2.23 0.00 0.00 178.31 176.53 2huf h GLN 377 N -0.44 0.45 -0.29 1.11 4.15 -1.28 -0.43 115.11 118.39 2huf h GLN 377 Ca -0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 2huf h GLN 377 Cb 0.33 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2huf h GLN 377 CO 0.07 0.30 0.00 0.93 -1.93 0.00 0.00 178.83 178.20 2huf h GLU 378 N 0.47 0.50 -0.49 1.69 5.08 -0.94 -1.40 114.58 119.48 2huf h GLU 378 Ca 0.35 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2huf h GLU 378 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2huf h GLU 378 CO -0.33 0.65 0.31 0.00 -1.00 0.00 0.00 179.01 178.65 2huf h ALA 379 N 0.83 0.63 -0.31 3.43 0.00 -0.42 0.11 119.26 123.53 2huf h ALA 379 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2huf h ALA 379 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2huf h ALA 379 CO 0.01 0.09 -0.04 0.28 0.00 0.00 0.00 179.25 179.59 2huf h VAL 380 N 0.66 1.27 -0.36 0.00 2.07 -1.08 -2.86 116.25 115.96 2huf h VAL 380 Ca 0.18 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2huf h VAL 380 Cb -0.04 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2huf h VAL 380 CO -0.04 0.34 0.17 0.00 0.02 0.00 0.00 177.57 178.06 2huf h ALA 381 N 0.81 1.61 -0.53 1.67 0.00 -1.02 -2.53 119.26 119.28 2huf h ALA 381 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2huf h ALA 381 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2huf h ALA 381 CO 0.02 0.32 0.22 0.00 0.00 0.00 0.00 179.25 179.81 2huf h ALA 382 N 1.68 1.40 -0.02 0.00 0.00 -0.55 -3.17 119.26 118.59 2huf h ALA 382 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2huf h ALA 382 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2huf h ALA 382 CO -0.02 0.46 -0.07 1.33 0.00 0.00 0.00 179.25 180.95 2huf n VAL 383 N -4.35 0.00 -4.08 0.00 0.24 -1.04 -4.94 118.33 104.17 2huf n VAL 383 Ca 0.04 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.34 61.53 2huf n VAL 383 Cb 0.15 1.41 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 2huf n VAL 383 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2huf s LYS 384 N -1.86 3.23 0.00 7.34 2.20 -0.98 -4.67 119.74 125.00 2huf s LYS 384 Ca 0.23 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2huf s LYS 384 Cb 0.17 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2huf s LYS 384 CO 0.31 0.73 0.22 -2.30 -0.36 0.00 0.00 175.35 173.94