#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooe h SER 3 N 0.00 0.00 -2.86 4.04 0.02 -1.50 -3.48 113.55 109.77 1ooe h SER 3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ooe h SER 3 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ooe h SER 3 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1ooe n GLY 4 N -0.24 0.15 3.12 -3.77 0.00 -1.26 -4.93 105.19 98.27 1ooe n GLY 4 Ca 0.01 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 1ooe n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ooe s LYS 5 N -1.73 0.91 0.02 1.61 1.02 -1.26 -0.65 119.74 119.66 1ooe s LYS 5 Ca 0.00 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 1ooe s LYS 5 Cb 0.00 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 1ooe s LYS 5 CO 0.00 0.23 0.04 0.14 -0.92 0.00 0.00 175.35 174.83 1ooe s VAL 6 N -0.77 0.12 -0.13 3.17 -7.23 -0.67 -0.41 120.40 114.47 1ooe s VAL 6 Ca 0.01 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1ooe s VAL 6 Cb -0.07 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1ooe s VAL 6 CO 0.01 -0.53 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.56 1ooe s ILE 7 N -1.87 3.54 -0.28 -0.62 1.01 -0.59 -1.13 121.20 121.25 1ooe s ILE 7 Ca -0.12 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1ooe s ILE 7 Cb -0.06 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.96 1ooe s ILE 7 CO -0.02 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 1ooe s VAL 8 N 0.18 2.38 -0.54 2.92 1.01 0.14 -0.47 120.40 126.03 1ooe s VAL 8 Ca -0.04 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.03 1ooe s VAL 8 Cb -0.14 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.84 1ooe s VAL 8 CO 0.04 -0.14 0.74 -0.47 0.00 0.00 0.00 175.10 175.26 1ooe s TYR 9 N 1.10 2.95 0.00 5.22 6.14 0.12 -1.51 117.35 131.38 1ooe s TYR 9 Ca -0.05 -0.44 0.00 0.00 0.64 0.00 0.00 57.07 57.22 1ooe s TYR 9 Cb -0.20 -3.77 0.00 0.00 0.42 0.00 0.00 41.96 38.41 1ooe s TYR 9 CO -0.05 -1.18 0.00 0.41 0.64 0.00 0.00 175.55 175.37 1ooe n GLY 10 N 5.18 1.71 0.00 8.97 0.00 0.08 -1.22 105.19 119.91 1ooe n GLY 10 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1ooe n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooe n GLY 11 N -0.36 -0.62 0.05 -0.02 0.00 -1.24 -2.39 105.19 100.62 1ooe n GLY 11 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1ooe n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ooe n LYS 12 N -1.25 0.37 -1.61 1.61 4.76 -1.26 -2.85 118.16 117.93 1ooe n LYS 12 Ca 0.06 0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 1ooe n LYS 12 Cb 0.08 -1.65 0.15 0.00 -1.84 0.00 0.00 35.03 31.77 1ooe n LYS 12 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ooe s GLY 13 N -3.83 1.62 0.09 0.72 0.00 -1.01 -4.75 107.32 100.16 1ooe s GLY 13 Ca 0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 1ooe s GLY 13 CO 0.79 -0.10 1.66 0.00 0.00 0.00 0.00 173.10 175.44 1ooe h ALA 14 N -1.60 -0.56 -0.33 3.20 0.00 -1.92 0.56 119.26 118.61 1ooe h ALA 14 Ca -0.48 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1ooe h ALA 14 Cb 1.31 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ooe h ALA 14 CO 0.54 -0.83 -0.19 1.25 0.00 0.00 0.00 179.25 180.02 1ooe h LEU 15 N -0.57 0.73 -0.55 0.00 5.85 -1.94 -2.54 115.31 116.29 1ooe h LEU 15 Ca -0.03 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ooe h LEU 15 Cb 0.48 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1ooe h LEU 15 CO 0.02 1.00 0.36 1.23 -0.34 0.00 0.00 178.44 180.71 1ooe h GLY 16 N 0.47 0.78 1.39 3.75 0.00 -1.67 -0.61 103.07 107.19 1ooe h GLY 16 Ca 0.07 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1ooe h GLY 16 CO 0.05 0.27 -0.09 1.48 0.00 0.00 0.00 176.54 178.26 1ooe h SER 17 N 0.74 0.71 -0.47 0.19 4.64 -0.73 -0.73 113.55 117.90 1ooe h SER 17 Ca 0.21 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1ooe h SER 17 Cb -0.07 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1ooe h SER 17 CO -0.05 0.84 0.11 0.00 -0.87 0.00 0.00 176.83 176.86 1ooe h ALA 18 N 1.23 0.62 -0.23 5.18 0.00 -0.99 -0.74 119.26 124.33 1ooe h ALA 18 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ooe h ALA 18 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ooe h ALA 18 CO 0.03 0.31 0.06 0.82 0.00 0.00 0.00 179.25 180.47 1ooe h ILE 19 N 0.64 1.21 -0.22 0.00 2.04 -0.88 -1.13 117.51 119.17 1ooe h ILE 19 Ca 0.15 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1ooe h ILE 19 Cb 0.33 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1ooe h ILE 19 CO 0.00 0.21 0.07 0.25 0.00 0.00 0.00 178.15 178.69 1ooe h LEU 20 N 0.19 0.08 -0.75 1.44 6.46 -1.01 -1.47 115.31 120.25 1ooe h LEU 20 Ca 0.07 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1ooe h LEU 20 Cb 0.27 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1ooe h LEU 20 CO 0.00 0.07 0.40 -0.33 -0.62 0.00 0.00 178.44 177.96 1ooe h GLU 21 N 0.17 1.06 -0.29 1.25 4.39 -1.07 -2.04 114.58 118.06 1ooe h GLU 21 Ca 0.10 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ooe h GLU 21 Cb 0.07 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1ooe h GLU 21 CO -0.10 0.80 0.12 0.35 -1.16 0.00 0.00 179.01 179.02 1ooe h PHE 22 N 1.04 0.43 -0.33 4.33 3.57 -0.81 -0.90 116.94 124.27 1ooe h PHE 22 Ca 0.26 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 1ooe h PHE 22 Cb 0.06 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ooe h PHE 22 CO 0.00 0.42 -0.21 0.74 -2.23 0.00 0.00 178.31 177.03 1ooe h PHE 23 N 0.32 0.71 -0.48 0.41 -1.00 -1.20 -2.28 116.94 113.42 1ooe h PHE 23 Ca 0.10 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1ooe h PHE 23 Cb 0.16 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1ooe h PHE 23 CO -0.01 0.80 0.22 -0.22 -1.61 0.00 0.00 178.31 177.49 1ooe h LYS 24 N 0.56 0.69 0.00 1.51 3.64 -1.18 -1.19 116.57 120.60 1ooe h LYS 24 Ca 0.08 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ooe h LYS 24 Cb 0.67 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ooe h LYS 24 CO 0.05 0.59 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.50 1ooe h LYS 25 N 0.63 0.00 -0.85 1.90 3.64 -0.91 -2.30 116.57 118.68 1ooe h LYS 25 Ca 0.16 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 1ooe h LYS 25 Cb 0.13 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.82 1ooe h LYS 25 CO -0.02 0.10 0.29 0.09 -2.27 0.00 0.00 179.45 177.63 1ooe n ASN 26 N -3.95 4.14 0.00 4.20 3.02 -0.66 -4.92 115.26 117.10 1ooe n ASN 26 Ca -0.02 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1ooe n ASN 26 Cb 0.19 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1ooe n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ooe n GLY 27 N -0.21 0.58 3.91 7.41 0.00 -0.87 -4.86 105.19 111.14 1ooe n GLY 27 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1ooe n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ooe s TYR 28 N -2.19 3.47 -0.04 1.61 1.51 -0.54 -1.23 117.35 119.93 1ooe s TYR 28 Ca 0.00 0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 56.43 1ooe s TYR 28 Cb 0.00 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1ooe s TYR 28 CO 0.00 0.29 0.56 0.99 -1.11 0.00 0.00 175.55 176.27 1ooe s THR 29 N -1.92 5.02 -0.10 -0.71 2.01 0.17 -4.28 115.64 115.83 1ooe s THR 29 Ca 0.42 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.60 1ooe s THR 29 Cb -0.11 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1ooe s THR 29 CO 0.28 0.39 -0.21 0.68 -0.69 0.00 0.00 174.62 175.06 1ooe s VAL 30 N 0.09 1.86 -0.20 3.82 -7.23 -1.26 -1.68 120.40 115.80 1ooe s VAL 30 Ca 0.30 -0.90 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 1ooe s VAL 30 Cb -0.17 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1ooe s VAL 30 CO 0.15 0.52 0.05 -0.76 -0.31 0.00 0.00 175.10 174.74 1ooe s LEU 31 N 0.48 3.61 -0.13 1.32 1.02 -0.29 -1.25 118.68 123.44 1ooe s LEU 31 Ca -0.16 -0.04 -0.06 0.00 0.02 0.00 0.00 54.13 53.89 1ooe s LEU 31 Cb -0.17 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 1ooe s LEU 31 CO 0.06 0.11 0.07 0.21 0.02 0.00 0.00 176.35 176.82 1ooe s ASN 32 N 0.77 5.78 -0.20 2.29 2.47 -0.04 -0.68 114.94 125.33 1ooe s ASN 32 Ca 0.03 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.56 1ooe s ASN 32 Cb -0.14 -1.85 0.04 0.00 -1.45 0.00 0.00 41.25 37.86 1ooe s ASN 32 CO 0.02 0.32 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.98 1ooe s ILE 33 N -0.50 1.70 0.25 -5.21 1.01 -0.57 0.10 121.20 117.98 1ooe s ILE 33 Ca 0.10 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 1ooe s ILE 33 Cb -0.12 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.67 1ooe s ILE 33 CO 0.02 0.20 0.84 -0.67 0.00 0.00 0.00 174.94 175.33 1ooe n ASP 34 N 4.67 -1.81 0.16 3.58 -0.08 -1.07 -0.74 116.55 121.26 1ooe n ASP 34 Ca -0.15 -2.10 0.13 0.00 -1.51 0.00 0.00 54.79 51.16 1ooe n ASP 34 Cb 0.47 2.98 0.52 0.00 2.34 0.00 0.00 41.12 47.42 1ooe n ASP 34 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ooe h LEU 35 N 0.00 0.00 -8.14 -2.67 3.38 -1.87 -1.00 115.31 105.01 1ooe h LEU 35 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1ooe h LEU 35 Cb 1.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 1ooe h LEU 35 CO 0.36 0.00 -0.30 -0.94 0.09 0.00 0.00 178.44 177.64 1ooe s SER 36 N -4.63 0.02 0.36 -0.43 1.04 -1.26 -4.63 113.70 104.17 1ooe s SER 36 Ca 0.04 -0.91 -0.19 0.00 0.48 0.00 0.00 55.95 55.37 1ooe s SER 36 Cb 0.09 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.57 1ooe s SER 36 CO 0.45 -0.93 0.84 0.00 0.98 0.00 0.00 173.24 174.58 1ooe s ALA 37 N -3.99 3.20 -0.38 5.32 0.00 -1.26 -4.89 121.76 119.76 1ooe s ALA 37 Ca 0.19 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1ooe s ALA 37 Cb 0.03 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.25 1ooe s ALA 37 CO 0.02 0.24 0.18 1.21 0.00 0.00 0.00 175.76 177.41 1ooe s ASN 38 N -2.13 5.43 0.00 0.00 3.84 -1.26 -4.96 114.94 115.86 1ooe s ASN 38 Ca 0.56 -1.41 0.04 0.00 0.21 0.00 0.00 52.86 52.26 1ooe s ASN 38 Cb -0.11 -1.91 0.25 0.00 -0.55 0.00 0.00 41.25 38.93 1ooe s ASN 38 CO 0.16 -0.44 0.77 -0.90 -2.79 0.00 0.00 177.10 173.90 1ooe n ASP 39 N 4.82 0.00 0.02 -4.21 5.68 -1.26 -1.24 116.55 120.36 1ooe n ASP 39 Ca -0.10 -0.08 0.11 0.00 -0.50 0.00 0.00 54.79 54.22 1ooe n ASP 39 Cb 0.43 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1ooe n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ooe n GLN 40 N -1.04 0.32 -2.24 0.11 1.13 -1.26 -4.95 117.38 109.44 1ooe n GLN 40 Ca 0.03 -0.03 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 1ooe n GLN 40 Cb 0.02 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 28.77 1ooe n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ooe s ALA 41 N -3.23 2.93 0.13 -1.58 0.00 -0.38 -4.97 121.76 114.67 1ooe s ALA 41 Ca 0.02 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1ooe s ALA 41 Cb 0.14 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1ooe s ALA 41 CO 0.82 -0.48 1.42 -0.44 0.00 0.00 0.00 175.76 177.08 1ooe h ASP 42 N 0.70 0.00 -3.89 0.00 5.19 -1.50 -3.45 116.42 113.47 1ooe h ASP 42 Ca -0.47 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.75 1ooe h ASP 42 Cb 1.20 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.45 1ooe h ASP 42 CO 0.60 0.80 -0.55 -0.44 -3.12 0.00 0.00 179.24 176.52 1ooe s SER 43 N -6.70 -0.12 -0.12 6.45 0.01 -1.15 -5.03 113.70 107.03 1ooe s SER 43 Ca 0.01 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1ooe s SER 43 Cb 0.10 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.62 1ooe s SER 43 CO 0.79 -0.08 -0.19 0.20 0.41 0.00 0.00 173.24 174.37 1ooe s ASN 44 N -0.06 2.80 -0.27 2.44 0.01 -1.26 -0.86 114.94 117.74 1ooe s ASN 44 Ca -0.01 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 51.53 1ooe s ASN 44 Cb -0.02 -1.28 -0.03 0.00 0.41 0.00 0.00 41.25 40.33 1ooe s ASN 44 CO 0.00 0.06 0.13 -0.63 -1.51 0.00 0.00 177.10 175.14 1ooe s ILE 45 N 0.86 4.69 -0.15 0.60 -1.09 0.12 -4.97 121.20 121.26 1ooe s ILE 45 Ca -0.08 -0.11 -0.21 0.00 -2.23 0.00 0.00 60.65 58.02 1ooe s ILE 45 Cb -0.15 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 1ooe s ILE 45 CO -0.01 0.26 0.63 -0.22 -1.23 0.00 0.00 174.94 174.36 1ooe s LEU 46 N 1.66 4.21 -0.19 2.97 2.96 -1.26 -2.59 118.68 126.44 1ooe s LEU 46 Ca 0.06 0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 54.85 1ooe s LEU 46 Cb -0.16 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 1ooe s LEU 46 CO 0.06 -0.19 0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 1ooe s VAL 47 N 1.41 4.49 -0.50 1.68 1.01 -0.38 -4.81 120.40 123.29 1ooe s VAL 47 Ca 0.31 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1ooe s VAL 47 Cb -0.16 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1ooe s VAL 47 CO 0.12 0.44 0.58 -0.62 0.00 0.00 0.00 175.10 175.62 1ooe s ASP 48 N 0.66 6.21 0.42 3.32 -1.08 -1.26 -4.39 116.67 120.54 1ooe s ASP 48 Ca 0.02 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.30 1ooe s ASP 48 Cb -0.13 -2.27 1.53 0.00 -1.46 0.00 0.00 42.92 40.59 1ooe s ASP 48 CO 0.02 -0.86 1.87 1.23 0.52 0.00 0.00 175.17 177.95 1ooe h GLY 49 N 9.52 0.00 1.77 2.66 0.00 -1.97 -2.01 103.07 113.04 1ooe h GLY 49 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ooe h GLY 49 CO 0.96 0.00 -0.21 3.43 0.00 0.00 0.00 176.54 180.71 1ooe h ASN 50 N 0.00 0.00 -4.16 0.19 2.35 -2.04 -3.46 115.58 108.46 1ooe h ASN 50 Ca 0.00 -0.02 -0.47 0.00 -0.55 0.00 0.00 56.30 55.26 1ooe h ASN 50 Cb 0.01 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1ooe h ASN 50 CO 0.00 0.01 0.37 -0.54 -1.65 0.00 0.00 177.43 175.62 1ooe s LYS 51 N -3.21 3.77 1.04 0.81 1.02 -0.76 -5.06 119.74 117.35 1ooe s LYS 51 Ca 0.06 1.11 -0.18 0.00 0.02 0.00 0.00 55.97 56.99 1ooe s LYS 51 Cb 0.08 -2.10 0.24 0.00 -0.52 0.00 0.00 37.83 35.53 1ooe s LYS 51 CO 0.68 -0.43 1.29 0.27 -0.92 0.00 0.00 175.35 176.24 1ooe n ASN 52 N -1.51 -0.38 0.11 2.83 0.23 -1.26 -4.71 115.26 110.57 1ooe n ASN 52 Ca 0.08 -1.42 -0.13 0.00 -0.53 0.00 0.00 54.58 52.58 1ooe n ASN 52 Cb 0.53 -1.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.15 1ooe n ASN 52 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1ooe h TRP 53 N -1.99 -0.73 -0.27 -2.53 2.91 -1.99 0.55 115.95 111.91 1ooe h TRP 53 Ca -0.43 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.53 1ooe h TRP 53 Cb 1.21 0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 30.15 1ooe h TRP 53 CO 0.00 -0.37 -0.16 1.79 -1.03 0.00 0.00 178.44 178.67 1ooe h THR 54 N -0.48 1.24 -0.57 2.65 1.35 -1.99 -0.65 112.91 114.45 1ooe h THR 54 Ca 0.03 -1.08 -0.11 0.00 -0.55 0.00 0.00 66.41 64.71 1ooe h THR 54 Cb 0.51 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1ooe h THR 54 CO -0.16 0.35 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.06 1ooe h GLU 55 N 0.43 1.05 -0.47 4.72 5.08 -1.84 -1.46 114.58 122.10 1ooe h GLU 55 Ca 0.08 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1ooe h GLU 55 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ooe h GLU 55 CO 0.03 1.07 0.01 1.96 -1.00 0.00 0.00 179.01 181.08 1ooe h GLN 56 N 0.94 0.83 0.11 2.33 4.20 -0.48 -2.03 115.11 121.01 1ooe h GLN 56 Ca 0.15 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1ooe h GLN 56 Cb 0.63 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1ooe h GLN 56 CO 0.04 0.87 -0.16 1.49 -0.67 0.00 0.00 178.83 180.40 1ooe h GLU 57 N 0.68 -0.31 -0.31 1.46 4.81 -0.93 -0.49 114.58 119.49 1ooe h GLU 57 Ca 0.14 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1ooe h GLU 57 Cb 0.49 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1ooe h GLU 57 CO 0.02 -0.21 0.05 0.37 -0.73 0.00 0.00 179.01 178.51 1ooe h GLN 58 N -0.32 0.15 -0.26 1.92 4.15 -1.18 0.32 115.11 119.88 1ooe h GLN 58 Ca 0.02 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1ooe h GLN 58 Cb 0.33 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1ooe h GLN 58 CO -0.08 0.10 0.08 1.03 -1.93 0.00 0.00 178.83 178.03 1ooe h SER 59 N 0.16 0.39 -0.52 -0.69 0.87 -1.20 -0.38 113.55 112.17 1ooe h SER 59 Ca 0.15 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1ooe h SER 59 Cb 0.17 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1ooe h SER 59 CO -0.21 0.49 0.17 0.40 -0.53 0.00 0.00 176.83 177.16 1ooe h ILE 60 N 0.26 1.23 -0.51 2.23 2.04 -0.89 -1.59 117.51 120.28 1ooe h ILE 60 Ca 0.08 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 1ooe h ILE 60 Cb 0.25 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1ooe h ILE 60 CO -0.00 0.28 0.06 -0.07 0.00 0.00 0.00 178.15 178.42 1ooe h LEU 61 N 0.71 0.83 -0.28 1.44 4.07 -0.84 -1.05 115.31 120.20 1ooe h LEU 61 Ca 0.17 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ooe h LEU 61 Cb 0.26 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1ooe h LEU 61 CO -0.01 0.89 0.14 -0.33 -1.08 0.00 0.00 178.44 178.06 1ooe h GLU 62 N 0.73 0.39 -0.67 1.13 5.08 -0.91 -1.28 114.58 119.06 1ooe h GLU 62 Ca 0.15 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1ooe h GLU 62 Cb 0.44 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1ooe h GLU 62 CO 0.01 0.36 0.11 1.96 -1.00 0.00 0.00 179.01 180.46 1ooe h GLN 63 N 0.32 1.10 -0.48 2.33 4.20 -1.21 -1.65 115.11 119.72 1ooe h GLN 63 Ca 0.10 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 1ooe h GLN 63 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1ooe h GLN 63 CO -0.01 1.00 -0.21 1.15 -0.67 0.00 0.00 178.83 180.08 1ooe h THR 64 N 1.03 1.27 -0.54 -0.54 2.02 -1.05 -2.33 112.91 112.76 1ooe h THR 64 Ca 0.20 -1.38 -0.09 0.00 0.77 0.00 0.00 66.41 65.91 1ooe h THR 64 Cb 0.43 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1ooe h THR 64 CO 0.01 0.48 -0.03 0.00 0.37 0.00 0.00 175.52 176.35 1ooe h ALA 65 N 0.89 0.92 -0.38 6.16 0.00 -1.10 -0.59 119.26 125.16 1ooe h ALA 65 Ca 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1ooe h ALA 65 Cb 0.79 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ooe h ALA 65 CO 0.07 0.64 0.00 1.03 0.00 0.00 0.00 179.25 180.99 1ooe h SER 66 N 0.87 0.56 0.07 0.00 0.87 -1.17 -1.43 113.55 113.32 1ooe h SER 66 Ca 0.15 -0.11 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 1ooe h SER 66 Cb 0.55 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1ooe h SER 66 CO 0.03 0.63 -1.02 -1.28 -0.53 0.00 0.00 176.83 174.65 1ooe h SER 67 N 0.56 0.78 0.50 6.23 0.87 -1.07 -3.36 113.55 118.06 1ooe h SER 67 Ca 0.12 -0.80 -0.26 0.00 -1.23 0.00 0.00 61.79 59.62 1ooe h SER 67 Cb 0.36 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1ooe h SER 67 CO 0.01 1.49 -1.12 -0.07 -0.53 0.00 0.00 176.83 176.61 1ooe h LEU 68 N 0.16 0.48 0.00 2.23 3.38 -1.04 -3.48 115.31 117.04 1ooe h LEU 68 Ca -0.15 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1ooe h LEU 68 Cb 1.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ooe h LEU 68 CO 0.20 1.31 0.00 0.00 0.09 0.00 0.00 178.44 180.03 1ooe n GLN 69 N -3.63 0.00 -0.17 1.13 1.13 -0.55 -1.04 117.38 114.26 1ooe n GLN 69 Ca -0.08 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.03 1ooe n GLN 69 Cb 0.95 0.00 0.13 0.00 0.11 0.00 0.00 30.24 31.43 1ooe n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ooe n GLY 70 N 0.00 0.52 3.93 1.08 0.00 -1.26 -4.90 105.19 104.56 1ooe n GLY 70 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1ooe n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooe s SER 71 N -0.95 6.35 0.45 1.61 0.01 -0.21 -5.12 113.70 115.85 1ooe s SER 71 Ca 0.20 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.75 1ooe s SER 71 Cb 0.11 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 1ooe s SER 71 CO 0.13 0.11 0.21 -1.10 0.41 0.00 0.00 173.24 173.00 1ooe s GLN 72 N -2.85 2.24 0.19 12.44 -0.21 -1.26 -4.87 119.66 125.34 1ooe s GLN 72 Ca 0.35 -1.93 0.10 0.00 0.02 0.00 0.00 55.36 53.89 1ooe s GLN 72 Cb -0.12 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1ooe s GLN 72 CO 0.28 -0.25 -0.12 0.14 -2.12 0.00 0.00 175.29 173.22 1ooe s VAL 73 N -2.66 3.02 -0.38 1.09 -7.23 -0.01 -4.68 120.40 109.55 1ooe s VAL 73 Ca 0.36 -1.78 0.23 0.00 -1.81 0.00 0.00 61.98 58.98 1ooe s VAL 73 Cb 0.02 -2.50 0.16 0.00 0.56 0.00 0.00 36.38 34.62 1ooe s VAL 73 CO 0.20 -0.14 1.34 0.44 -0.31 0.00 0.00 175.10 176.63 1ooe h ASP 74 N 2.86 0.00 -4.56 4.85 3.45 -1.06 -1.33 116.42 120.64 1ooe h ASP 74 Ca -0.46 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.02 1ooe h ASP 74 Cb 1.21 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.79 1ooe h ASP 74 CO 0.54 0.01 0.40 -0.83 -1.57 0.00 0.00 179.24 177.79 1ooe s GLY 75 N -4.21 -0.43 -0.15 2.75 0.00 -1.24 -2.18 107.32 101.86 1ooe s GLY 75 Ca 0.04 1.48 -0.00 0.00 0.00 0.00 0.00 44.72 46.23 1ooe s GLY 75 CO 0.73 0.79 -0.08 0.14 0.00 0.00 0.00 173.10 174.67 1ooe s VAL 76 N -1.78 1.24 -0.23 1.40 1.01 -0.46 -1.54 120.40 120.04 1ooe s VAL 76 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ooe s VAL 76 Cb -0.00 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1ooe s VAL 76 CO 0.01 0.27 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 1ooe s PHE 77 N 1.60 3.01 -0.32 5.22 0.08 0.38 -0.91 117.98 127.03 1ooe s PHE 77 Ca 0.03 -1.54 -0.07 0.00 0.12 0.00 0.00 56.93 55.46 1ooe s PHE 77 Cb -0.14 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1ooe s PHE 77 CO -0.08 -0.73 0.11 0.00 -0.10 0.00 0.00 175.22 174.41 1ooe n VAL 79 N 4.86 1.14 -1.86 0.00 0.24 -0.35 -3.07 118.33 119.29 1ooe n VAL 79 Ca -0.13 -1.54 -0.32 0.00 -2.04 0.00 0.00 64.34 60.31 1ooe n VAL 79 Cb 0.46 0.12 0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1ooe n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ooe s ALA 80 N -1.72 2.82 0.00 2.33 0.00 -1.10 -4.85 121.76 119.25 1ooe s ALA 80 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1ooe s ALA 80 Cb 0.21 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1ooe s ALA 80 CO -0.01 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1ooe n GLY 81 N -1.81 3.09 0.00 0.00 0.00 -1.26 -4.71 105.19 100.50 1ooe n GLY 81 Ca 0.07 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1ooe n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooe n GLY 82 N -0.25 5.74 3.06 -0.02 0.00 -1.26 -5.04 105.19 107.42 1ooe n GLY 82 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1ooe n GLY 82 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ooe s TRP 83 N 1.51 0.64 -0.27 1.61 -0.00 -1.26 -4.96 118.94 116.21 1ooe s TRP 83 Ca 0.00 -0.56 -0.15 0.00 -0.00 0.00 0.00 56.10 55.39 1ooe s TRP 83 Cb 0.00 -0.39 0.08 0.00 -0.00 0.00 0.00 33.47 33.16 1ooe s TRP 83 CO 0.00 -0.11 0.67 0.00 -0.00 0.00 0.00 176.95 177.51 1ooe s ALA 84 N -1.68 -1.84 0.00 5.86 0.00 -1.26 -5.10 121.76 117.74 1ooe s ALA 84 Ca -0.08 2.36 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1ooe s ALA 84 Cb -0.08 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1ooe s ALA 84 CO -0.01 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1ooe n GLY 85 N 4.42 3.38 0.00 0.00 0.00 -1.26 -4.30 105.19 107.43 1ooe n GLY 85 Ca -0.19 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ooe n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooe n GLY 86 N 5.00 3.83 3.94 -0.02 0.00 -0.28 -4.82 105.19 112.84 1ooe n GLY 86 Ca 0.00 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 1ooe n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ooe n SER 87 N 0.00 0.43 0.28 1.61 3.41 -1.24 -2.37 113.62 115.74 1ooe n SER 87 Ca 0.00 -1.66 0.15 0.00 -0.26 0.00 0.00 58.87 57.10 1ooe n SER 87 Cb 0.00 -0.94 0.81 0.00 -0.26 0.00 0.00 64.21 63.82 1ooe n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ooe h ALA 88 N -1.49 1.19 -0.00 7.33 0.00 -1.96 -1.88 119.26 122.45 1ooe h ALA 88 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ooe h ALA 88 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ooe h ALA 88 CO 0.32 0.10 -0.18 -1.13 0.00 0.00 0.00 179.25 178.36 1ooe n SER 89 N -3.46 0.59 -4.77 0.00 3.41 -1.26 -4.84 113.62 103.30 1ooe n SER 89 Ca -0.02 -0.55 -0.38 0.00 -0.26 0.00 0.00 58.87 57.66 1ooe n SER 89 Cb 0.22 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1ooe n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ooe s SER 90 N -2.57 6.22 0.36 4.04 0.15 -0.71 -4.91 113.70 116.28 1ooe s SER 90 Ca 0.25 2.49 0.03 0.00 0.70 0.00 0.00 55.95 59.42 1ooe s SER 90 Cb 0.19 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.55 1ooe s SER 90 CO 0.51 -0.90 1.98 0.50 1.20 0.00 0.00 173.24 176.54 1ooe h LYS 91 N 2.37 0.70 -0.87 5.44 3.64 -1.90 -2.59 116.57 123.37 1ooe h LYS 91 Ca -0.49 -0.07 -0.46 0.00 -1.27 0.00 0.00 60.65 58.36 1ooe h LYS 91 Cb 1.25 -0.15 -0.27 0.00 -0.41 0.00 0.00 32.23 32.65 1ooe h LYS 91 CO 0.61 0.52 0.51 -0.25 -2.27 0.00 0.00 179.45 178.57 1ooe n ASP 92 N -4.41 3.58 0.06 4.20 8.00 -1.26 -4.67 116.55 122.06 1ooe n ASP 92 Ca 0.04 -3.65 -0.11 0.00 0.71 0.00 0.00 54.79 51.78 1ooe n ASP 92 Cb 0.10 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.12 40.35 1ooe n ASP 92 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ooe h PHE 93 N 1.03 -0.55 -0.11 1.24 3.57 -1.69 -0.18 116.94 120.25 1ooe h PHE 93 Ca 0.55 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.96 1ooe h PHE 93 Cb 2.58 0.25 0.00 0.00 2.79 0.00 0.00 35.95 41.57 1ooe h PHE 93 CO 1.48 -0.29 -0.36 0.28 -2.23 0.00 0.00 178.31 177.18 1ooe h VAL 94 N -0.34 1.39 -0.50 1.41 2.07 -1.85 -1.67 116.25 116.75 1ooe h VAL 94 Ca 0.06 -1.69 0.09 0.00 0.82 0.00 0.00 66.70 65.97 1ooe h VAL 94 Cb 0.41 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 1ooe h VAL 94 CO -0.19 0.50 0.07 0.50 0.02 0.00 0.00 177.57 178.47 1ooe h LYS 95 N 0.01 0.20 -0.10 1.57 3.64 -1.85 0.13 116.57 120.16 1ooe h LYS 95 Ca -0.02 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1ooe h LYS 95 Cb 0.99 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1ooe h LYS 95 CO 0.08 0.13 -0.64 -0.91 -2.27 0.00 0.00 179.45 175.83 1ooe h ASN 96 N 0.20 0.42 -0.92 4.20 2.35 -1.08 -2.30 115.58 118.46 1ooe h ASN 96 Ca 0.25 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ooe h ASN 96 Cb 0.36 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1ooe h ASN 96 CO -0.36 0.95 0.53 0.00 -1.65 0.00 0.00 177.43 176.91 1ooe h ALA 97 N 1.05 1.17 -0.27 -0.83 0.00 -0.37 -0.43 119.26 119.58 1ooe h ALA 97 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ooe h ALA 97 Cb 1.18 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ooe h ALA 97 CO 0.11 0.65 0.12 0.22 0.00 0.00 0.00 179.25 180.36 1ooe h ASP 98 N 1.27 0.36 -0.59 0.00 3.58 -0.60 -1.95 116.42 118.50 1ooe h ASP 98 Ca 0.33 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1ooe h ASP 98 Cb -0.02 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1ooe h ASP 98 CO -0.06 0.40 0.33 -0.07 -2.88 0.00 0.00 179.24 176.96 1ooe h LEU 99 N 0.30 0.75 -0.67 2.28 3.38 -0.89 -2.00 115.31 118.47 1ooe h LEU 99 Ca 0.09 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1ooe h LEU 99 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ooe h LEU 99 CO -0.01 0.61 -0.53 0.24 0.09 0.00 0.00 178.44 178.84 1ooe h MET 100 N 0.85 0.38 -0.17 1.13 2.86 -0.74 -0.69 114.93 118.55 1ooe h MET 100 Ca 0.22 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ooe h MET 100 Cb 0.03 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1ooe h MET 100 CO -0.04 0.81 -0.06 0.82 1.06 0.00 0.00 176.91 179.50 1ooe h ILE 101 N 0.29 1.30 -0.45 -1.22 1.08 -1.03 -1.45 117.51 116.03 1ooe h ILE 101 Ca 0.01 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1ooe h ILE 101 Cb 1.02 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 1ooe h ILE 101 CO 0.09 0.32 0.26 0.11 -0.69 0.00 0.00 178.15 178.24 1ooe h LYS 102 N 0.02 0.60 0.18 2.37 1.57 -1.26 -0.07 116.57 119.98 1ooe h LYS 102 Ca 0.04 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1ooe h LYS 102 Cb 0.52 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.72 1ooe h LYS 102 CO 0.02 0.43 -1.41 1.96 -0.57 0.00 0.00 179.45 179.89 1ooe h GLN 103 N 0.62 0.38 0.01 3.15 4.20 -1.03 -3.36 115.11 119.07 1ooe h GLN 103 Ca 0.16 -0.64 -0.41 0.00 0.06 0.00 0.00 58.65 57.82 1ooe h GLN 103 Cb -0.01 0.24 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1ooe h GLN 103 CO -0.03 1.31 -2.43 0.43 -0.67 0.00 0.00 178.83 177.44 1ooe n SER 104 N -3.82 1.98 0.00 1.46 7.64 -0.56 -4.01 113.62 116.31 1ooe n SER 104 Ca -0.21 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.58 1ooe n SER 104 Cb 0.99 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 1ooe n SER 104 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ooe h VAL 105 N -0.39 1.49 -0.12 0.44 2.07 -1.17 -2.65 116.25 115.92 1ooe h VAL 105 Ca -0.61 -2.14 0.02 0.00 0.82 0.00 0.00 66.70 64.79 1ooe h VAL 105 Cb 1.79 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 34.33 1ooe h VAL 105 CO -0.20 0.61 0.01 -0.50 0.02 0.00 0.00 177.57 177.50 1ooe h TRP 106 N -0.29 0.01 -0.18 1.57 4.06 -1.44 -1.59 115.95 118.09 1ooe h TRP 106 Ca -0.07 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1ooe h TRP 106 Cb 1.28 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.45 1ooe h TRP 106 CO 0.17 -0.01 0.06 0.66 -3.56 0.00 0.00 178.44 175.77 1ooe h SER 107 N 0.05 0.26 -0.84 -3.49 4.64 -1.74 -1.66 113.55 110.76 1ooe h SER 107 Ca 0.05 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1ooe h SER 107 Cb 0.06 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1ooe h SER 107 CO -0.09 0.37 0.54 0.28 -0.87 0.00 0.00 176.83 177.06 1ooe h SER 108 N 0.13 0.88 -0.42 4.97 0.02 -1.39 0.12 113.55 117.85 1ooe h SER 108 Ca 0.06 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1ooe h SER 108 Cb 0.20 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ooe h SER 108 CO -0.00 0.59 -0.12 0.00 -1.14 0.00 0.00 176.83 176.16 1ooe h ALA 109 N 1.36 0.58 -0.23 3.77 0.00 -1.16 -1.50 119.26 122.08 1ooe h ALA 109 Ca 0.34 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ooe h ALA 109 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ooe h ALA 109 CO -0.13 0.48 -0.36 0.82 0.00 0.00 0.00 179.25 180.06 1ooe h ILE 110 N 0.64 1.29 -0.73 0.00 2.04 -0.91 -0.88 117.51 118.97 1ooe h ILE 110 Ca 0.10 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 1ooe h ILE 110 Cb 0.66 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1ooe h ILE 110 CO 0.05 0.46 0.32 0.00 0.00 0.00 0.00 178.15 178.98 1ooe h ALA 111 N 1.19 0.95 -0.45 1.87 0.00 -0.61 -0.42 119.26 121.78 1ooe h ALA 111 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ooe h ALA 111 Cb 0.83 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ooe h ALA 111 CO 0.07 0.54 0.16 0.00 0.00 0.00 0.00 179.25 180.02 1ooe h ALA 112 N 1.16 0.58 -0.89 0.00 0.00 -0.87 -1.50 119.26 117.74 1ooe h ALA 112 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ooe h ALA 112 Cb 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1ooe h ALA 112 CO -0.03 0.21 0.58 -0.22 0.00 0.00 0.00 179.25 179.80 1ooe h LYS 113 N 0.58 1.12 -0.86 0.00 1.63 -0.75 -1.52 116.57 116.77 1ooe h LYS 113 Ca 0.15 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1ooe h LYS 113 Cb 0.23 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1ooe h LYS 113 CO -0.01 0.74 0.43 -0.07 -3.45 0.00 0.00 179.45 177.09 1ooe h LEU 114 N 1.16 1.11 -0.47 5.20 3.38 -0.70 -2.76 115.31 122.24 1ooe h LEU 114 Ca 0.34 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1ooe h LEU 114 Cb -0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1ooe h LEU 114 CO -0.10 0.93 0.11 0.00 0.09 0.00 0.00 178.44 179.47 1ooe h ALA 115 N 1.24 0.62 0.00 1.53 0.00 -0.37 0.48 119.26 122.76 1ooe h ALA 115 Ca 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ooe h ALA 115 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ooe h ALA 115 CO -0.04 0.31 -0.08 1.79 0.00 0.00 0.00 179.25 181.23 1ooe h THR 116 N 0.63 0.50 0.05 0.00 1.35 -1.15 -0.93 112.91 113.35 1ooe h THR 116 Ca 0.15 -0.37 -0.32 0.00 -0.55 0.00 0.00 66.41 65.32 1ooe h THR 116 Cb 0.34 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 1ooe h THR 116 CO 0.00 0.08 -1.76 0.41 -0.25 0.00 0.00 175.52 174.00 1ooe n THR 117 N -3.64 1.62 0.35 6.82 -1.04 -0.89 -4.75 114.28 112.75 1ooe n THR 117 Ca -0.02 -0.34 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1ooe n THR 117 Cb 0.19 -1.87 -0.04 0.00 -1.82 0.00 0.00 70.33 66.79 1ooe n THR 117 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1ooe n HIS 118 N -3.98 0.00 -2.49 -1.42 -0.00 0.16 -5.02 115.22 102.47 1ooe n HIS 118 Ca -0.36 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 56.95 1ooe n HIS 118 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.82 1ooe n HIS 118 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1ooe s LEU 119 N -2.32 4.40 0.64 2.41 2.96 -0.36 -0.83 118.68 125.58 1ooe s LEU 119 Ca 0.03 1.99 -0.17 0.00 -0.22 0.00 0.00 54.13 55.76 1ooe s LEU 119 Cb 0.06 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1ooe s LEU 119 CO 0.30 -0.37 1.15 -0.54 -1.32 0.00 0.00 176.35 175.57 1ooe s LYS 120 N 0.64 2.81 0.34 1.98 1.02 -0.50 -4.77 119.74 121.27 1ooe s LYS 120 Ca 0.55 1.59 -0.29 0.00 0.02 0.00 0.00 55.97 57.85 1ooe s LYS 120 Cb -0.28 -1.93 -0.11 0.00 -0.52 0.00 0.00 37.83 34.98 1ooe s LYS 120 CO 0.31 -1.28 1.52 -2.14 -0.92 0.00 0.00 175.35 172.84 1ooe s PRO 121 N -3.75 4.12 0.00 -1.68 0.02 -1.26 -0.79 135.00 131.66 1ooe s PRO 121 Ca 0.72 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.30 1ooe s PRO 121 Cb -0.25 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1ooe s PRO 121 CO 0.38 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1ooe n GLY 122 N 1.10 0.87 3.19 0.52 0.00 -0.19 -4.88 105.19 105.80 1ooe n GLY 122 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1ooe n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooe n GLY 123 N -2.11 -1.97 3.20 -0.02 0.00 0.03 -4.68 105.19 99.65 1ooe n GLY 123 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1ooe n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ooe s LEU 124 N 0.00 2.01 -0.17 0.99 2.96 -0.93 -2.10 118.68 121.44 1ooe s LEU 124 Ca 0.63 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1ooe s LEU 124 Cb -0.03 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.39 1ooe s LEU 124 CO 0.46 0.18 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.31 1ooe s LEU 125 N 0.14 2.55 -0.08 -0.68 2.96 -0.46 -1.35 118.68 121.76 1ooe s LEU 125 Ca -0.10 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1ooe s LEU 125 Cb -0.15 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1ooe s LEU 125 CO 0.05 0.06 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.34 1ooe s GLN 126 N 0.95 2.82 0.35 1.98 -0.44 -0.09 -1.14 119.66 124.09 1ooe s GLN 126 Ca -0.02 -0.85 0.08 0.00 -2.50 0.00 0.00 55.36 52.06 1ooe s GLN 126 Cb -0.15 -2.28 -0.07 0.00 -1.64 0.00 0.00 33.01 28.87 1ooe s GLN 126 CO -0.02 0.31 -0.05 -0.51 0.50 0.00 0.00 175.29 175.53 1ooe s LEU 127 N 0.03 2.70 -0.21 3.68 1.43 -0.16 -0.97 118.68 125.17 1ooe s LEU 127 Ca -0.09 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.74 1ooe s LEU 127 Cb -0.15 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1ooe s LEU 127 CO 0.05 -0.33 -0.12 -0.89 0.23 0.00 0.00 176.35 175.30 1ooe s THR 128 N -2.75 2.68 0.00 5.49 2.01 -1.18 -1.59 115.64 120.30 1ooe s THR 128 Ca 0.33 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1ooe s THR 128 Cb 0.05 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1ooe s THR 128 CO 0.16 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 1ooe n GLY 129 N 4.69 1.87 3.57 4.40 0.00 -0.34 -4.93 105.19 114.45 1ooe n GLY 129 Ca -0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 46.02 44.06 1ooe n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooe s ALA 130 N -3.04 -2.14 0.34 4.61 0.00 -1.26 -4.84 121.76 115.44 1ooe s ALA 130 Ca 0.00 2.26 0.07 0.00 0.00 0.00 0.00 51.96 54.30 1ooe s ALA 130 Cb 0.00 -1.85 0.76 0.00 0.00 0.00 0.00 23.12 22.03 1ooe s ALA 130 CO 0.00 -0.98 1.88 0.00 0.00 0.00 0.00 175.76 176.66 1ooe h ALA 131 N 7.95 1.76 0.00 0.00 0.00 -1.85 -0.82 119.26 126.31 1ooe h ALA 131 Ca -0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ooe h ALA 131 Cb 1.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ooe h ALA 131 CO 0.11 0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 1ooe h ALA 132 N 1.59 1.54 0.00 0.00 0.00 -1.96 -2.45 119.26 117.98 1ooe h ALA 132 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ooe h ALA 132 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ooe h ALA 132 CO -0.20 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ooe n ALA 133 N -2.40 2.22 1.31 0.00 0.00 -0.31 -2.77 120.51 118.56 1ooe n ALA 133 Ca -0.02 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1ooe n ALA 133 Cb 0.21 -1.36 0.67 0.00 0.00 0.00 0.00 19.45 18.97 1ooe n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ooe n MET 134 N -1.17 0.48 -3.80 0.00 0.00 -0.92 -4.81 117.12 106.89 1ooe n MET 134 Ca 0.13 0.04 -0.14 0.00 0.00 0.00 0.00 57.70 57.73 1ooe n MET 134 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 1ooe n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ooe n GLY 135 N 0.80 2.22 3.75 3.03 0.00 -1.11 -5.14 105.19 108.74 1ooe n GLY 135 Ca 0.14 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1ooe n GLY 135 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ooe s PRO 136 N -2.76 3.28 -0.44 1.61 0.02 -1.26 -4.98 135.00 130.48 1ooe s PRO 136 Ca 0.27 2.28 0.09 0.00 0.02 0.00 0.00 61.00 63.66 1ooe s PRO 136 Cb -0.01 -2.36 0.32 0.00 0.02 0.00 0.00 34.50 32.48 1ooe s PRO 136 CO 0.19 -1.09 0.74 0.25 -0.33 0.00 0.00 177.00 176.76 1ooe n THR 137 N -0.81 0.58 0.12 0.99 -2.24 -1.26 -4.97 114.28 106.68 1ooe n THR 137 Ca 0.09 -4.73 0.19 0.00 -2.27 0.00 0.00 64.05 57.33 1ooe n THR 137 Cb 0.44 -0.93 0.77 0.00 -2.10 0.00 0.00 70.33 68.51 1ooe n THR 137 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ooe h PRO 138 N 3.26 0.00 -0.00 -0.78 0.13 -1.96 -1.32 132.00 131.33 1ooe h PRO 138 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ooe h PRO 138 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ooe h PRO 138 CO 0.58 0.00 -0.35 -1.13 -0.23 0.00 0.00 178.00 176.87 1ooe n SER 139 N -3.84 0.44 -2.92 1.44 3.41 -1.26 -3.95 113.62 106.93 1ooe n SER 139 Ca 0.06 -0.18 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1ooe n SER 139 Cb 0.51 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1ooe n SER 139 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1ooe n MET 140 N -1.39 0.95 -0.23 4.33 0.00 -0.55 -1.13 117.12 119.10 1ooe n MET 140 Ca 0.07 -2.50 -0.01 0.00 0.00 0.00 0.00 57.70 55.26 1ooe n MET 140 Cb 0.33 -1.32 0.11 0.00 0.00 0.00 0.00 33.22 32.34 1ooe n MET 140 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1ooe h ILE 141 N 2.24 0.91 -0.28 3.17 2.04 -1.02 -1.57 117.51 123.00 1ooe h ILE 141 Ca -0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1ooe h ILE 141 Cb 1.03 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1ooe h ILE 141 CO 0.30 0.11 0.11 1.23 0.00 0.00 0.00 178.15 179.91 1ooe h GLY 142 N 0.61 0.45 0.88 5.37 0.00 -1.85 -0.41 103.07 108.12 1ooe h GLY 142 Ca 0.31 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1ooe h GLY 142 CO -0.22 0.23 0.25 -1.82 0.00 0.00 0.00 176.54 174.98 1ooe h TYR 143 N 0.31 0.46 -0.32 5.60 3.20 -1.70 -1.07 116.97 123.45 1ooe h TYR 143 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1ooe h TYR 143 Cb 0.18 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1ooe h TYR 143 CO -0.01 0.26 0.12 0.78 -1.64 0.00 0.00 178.16 177.68 1ooe h GLY 144 N 0.50 0.41 0.96 1.82 0.00 -0.99 -1.35 103.07 104.42 1ooe h GLY 144 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ooe h GLY 144 CO -0.09 0.05 -0.02 -0.33 0.00 0.00 0.00 176.54 176.15 1ooe h MET 145 N 0.27 -0.03 -0.15 4.80 2.86 -0.73 -0.75 114.93 121.20 1ooe h MET 145 Ca 0.14 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1ooe h MET 145 Cb 0.09 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1ooe h MET 145 CO -0.13 -0.02 0.01 0.00 1.06 0.00 0.00 176.91 177.83 1ooe h ALA 146 N 0.96 0.14 -0.10 6.32 0.00 -1.06 -1.84 119.26 123.68 1ooe h ALA 146 Ca 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ooe h ALA 146 Cb 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ooe h ALA 146 CO -0.01 -0.44 -0.37 0.87 0.00 0.00 0.00 179.25 179.30 1ooe h LYS 147 N 0.06 0.20 -0.35 0.00 1.79 -1.17 -2.36 116.57 114.74 1ooe h LYS 147 Ca 0.07 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1ooe h LYS 147 Cb 0.08 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1ooe h LYS 147 CO -0.11 0.55 -0.06 0.00 -1.08 0.00 0.00 179.45 178.75 1ooe h ALA 148 N 1.45 1.25 -0.65 3.86 0.00 -0.78 -0.62 119.26 123.78 1ooe h ALA 148 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1ooe h ALA 148 Cb 0.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ooe h ALA 148 CO 0.06 0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1ooe h ALA 149 N 1.41 0.89 -0.63 0.00 0.00 -0.84 -1.01 119.26 119.07 1ooe h ALA 149 Ca 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ooe h ALA 149 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ooe h ALA 149 CO 0.02 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.34 1ooe h VAL 150 N 1.02 1.26 -0.77 0.00 2.07 -0.94 0.55 116.25 119.43 1ooe h VAL 150 Ca 0.19 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1ooe h VAL 150 Cb 0.48 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1ooe h VAL 150 CO 0.02 0.37 0.28 0.45 0.02 0.00 0.00 177.57 178.70 1ooe h HIS 151 N 0.97 1.20 -0.45 1.57 3.86 -0.72 -1.31 115.15 120.26 1ooe h HIS 151 Ca 0.20 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 1ooe h HIS 151 Cb 0.40 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1ooe h HIS 151 CO 0.03 0.92 -0.26 1.25 0.86 0.00 0.00 177.93 180.73 1ooe h HIS 152 N 1.13 1.12 -0.91 2.45 6.17 -0.68 -2.73 115.15 121.70 1ooe h HIS 152 Ca 0.25 -0.29 0.08 0.00 0.71 0.00 0.00 60.37 61.12 1ooe h HIS 152 Cb 0.26 -0.25 -0.07 0.00 2.52 0.00 0.00 27.41 29.86 1ooe h HIS 152 CO 0.02 1.11 0.56 1.25 0.71 0.00 0.00 177.93 181.59 1ooe h LEU 153 N 0.81 0.86 -0.56 0.26 5.85 -0.60 -0.87 115.31 121.05 1ooe h LEU 153 Ca 0.10 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1ooe h LEU 153 Cb 0.84 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1ooe h LEU 153 CO 0.07 0.52 0.31 0.74 -0.34 0.00 0.00 178.44 179.74 1ooe h THR 154 N 0.98 1.00 -0.44 1.05 2.02 -0.95 -0.67 112.91 115.90 1ooe h THR 154 Ca 0.41 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 1ooe h THR 154 Cb 0.27 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1ooe h THR 154 CO -0.21 0.11 -0.14 0.77 0.37 0.00 0.00 175.52 176.42 1ooe h SER 155 N 0.60 0.80 -0.49 4.18 4.64 -0.96 -2.40 113.55 119.92 1ooe h SER 155 Ca 0.24 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1ooe h SER 155 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1ooe h SER 155 CO -0.14 0.95 -0.18 0.28 -0.87 0.00 0.00 176.83 176.87 1ooe h SER 156 N 0.72 1.01 0.01 4.97 0.02 -0.84 -3.03 113.55 116.41 1ooe h SER 156 Ca 0.12 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1ooe h SER 156 Cb 0.64 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1ooe h SER 156 CO 0.04 1.17 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.59 1ooe h LEU 157 N 0.85 0.38 -1.00 5.07 3.38 -1.00 -2.75 115.31 120.23 1ooe h LEU 157 Ca 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ooe h LEU 157 Cb 0.76 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ooe h LEU 157 CO 0.06 0.62 -0.05 0.00 0.09 0.00 0.00 178.44 179.16 1ooe h ALA 158 N 1.41 0.99 -2.36 1.53 0.00 -1.37 -3.43 119.26 116.03 1ooe h ALA 158 Ca 0.05 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.42 1ooe h ALA 158 Cb 0.61 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.51 1ooe h ALA 158 CO 0.04 0.06 0.32 0.00 0.00 0.00 0.00 179.25 179.68 1ooe s ALA 159 N -3.53 2.21 0.34 0.00 0.00 -1.04 -4.94 121.76 114.80 1ooe s ALA 159 Ca 0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1ooe s ALA 159 Cb 0.08 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1ooe s ALA 159 CO 0.60 -1.74 1.37 0.21 0.00 0.00 0.00 175.76 176.19 1ooe s LYS 160 N -5.05 4.28 -1.37 0.00 2.20 -1.26 -3.33 119.74 115.22 1ooe s LYS 160 Ca 0.61 2.32 -0.06 0.00 -0.36 0.00 0.00 55.97 58.48 1ooe s LYS 160 Cb -0.15 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1ooe s LYS 160 CO 0.55 -0.30 0.83 -0.25 -0.36 0.00 0.00 175.35 175.82 1ooe n ASP 161 N 0.81 -5.99 0.14 1.43 8.00 -1.26 -4.90 116.55 114.78 1ooe n ASP 161 Ca 0.01 -0.38 0.10 0.00 0.71 0.00 0.00 54.79 55.22 1ooe n ASP 161 Cb 0.41 -4.71 0.06 0.00 -0.02 0.00 0.00 41.12 36.86 1ooe n ASP 161 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ooe h SER 162 N -1.90 0.00 0.00 -2.24 4.64 -1.82 -3.47 113.55 108.76 1ooe h SER 162 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ooe h SER 162 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ooe h SER 162 CO 0.53 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 1ooe n GLY 163 N 1.17 2.02 3.78 -0.77 0.00 -1.26 -4.97 105.19 105.17 1ooe n GLY 163 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1ooe n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ooe s LEU 164 N 0.00 3.68 0.80 0.99 1.43 -1.26 -4.58 118.68 119.74 1ooe s LEU 164 Ca 0.00 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1ooe s LEU 164 Cb 0.00 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.73 1ooe s LEU 164 CO 0.00 -1.18 1.12 -2.16 0.23 0.00 0.00 176.35 174.36 1ooe s PRO 165 N -3.51 1.93 0.39 1.29 0.04 -1.26 -4.95 135.00 128.93 1ooe s PRO 165 Ca 0.69 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1ooe s PRO 165 Cb -0.21 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1ooe s PRO 165 CO 0.29 -1.92 1.33 -0.25 0.04 0.00 0.00 177.00 176.49 1ooe n ASP 166 N -3.56 2.89 0.00 6.66 8.00 -1.26 -2.42 116.55 126.86 1ooe n ASP 166 Ca 0.10 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1ooe n ASP 166 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1ooe n ASP 166 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ooe n ASN 167 N 0.39 -2.55 -4.91 -2.24 5.03 -1.26 -1.02 115.26 108.69 1ooe n ASN 167 Ca 0.05 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.22 1ooe n ASN 167 Cb 0.39 -2.00 0.05 0.00 -1.02 0.00 0.00 39.78 37.20 1ooe n ASN 167 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1ooe s SER 168 N -2.18 5.21 0.05 6.41 1.04 -1.01 -3.75 113.70 119.46 1ooe s SER 168 Ca 0.00 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1ooe s SER 168 Cb 0.00 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 1ooe s SER 168 CO 0.00 -1.39 -0.07 0.00 0.98 0.00 0.00 173.24 172.75 1ooe s ALA 169 N -3.25 0.57 -0.10 5.32 0.00 -0.89 -4.92 121.76 118.49 1ooe s ALA 169 Ca 0.58 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1ooe s ALA 169 Cb -0.11 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1ooe s ALA 169 CO 0.48 -0.06 -0.23 0.54 0.00 0.00 0.00 175.76 176.48 1ooe s VAL 170 N -1.65 2.13 -0.03 0.00 0.11 -1.26 -1.36 120.40 118.34 1ooe s VAL 170 Ca -0.08 -1.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1ooe s VAL 170 Cb -0.08 -1.81 -0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1ooe s VAL 170 CO -0.00 0.56 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.43 1ooe s LEU 171 N 0.30 1.86 -0.19 2.54 1.43 -0.29 -0.03 118.68 124.30 1ooe s LEU 171 Ca -0.17 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1ooe s LEU 171 Cb -0.18 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1ooe s LEU 171 CO 0.08 0.11 -0.17 -0.89 0.23 0.00 0.00 176.35 175.71 1ooe s THR 172 N 0.10 2.00 0.21 5.49 2.01 -0.84 -0.99 115.64 123.62 1ooe s THR 172 Ca -0.03 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 1ooe s THR 172 Cb -0.10 -1.88 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 1ooe s THR 172 CO 0.01 0.41 0.60 0.27 -0.69 0.00 0.00 174.62 175.23 1ooe s ILE 173 N 1.29 4.81 -0.43 1.82 -4.36 -0.62 -0.57 121.20 123.13 1ooe s ILE 173 Ca 0.02 0.81 0.06 0.00 -0.26 0.00 0.00 60.65 61.28 1ooe s ILE 173 Cb -0.14 -3.70 0.21 0.00 1.25 0.00 0.00 42.46 40.08 1ooe s ILE 173 CO -0.11 0.08 0.45 0.23 0.24 0.00 0.00 174.94 175.83 1ooe n MET 174 N 0.34 0.64 -2.50 0.37 2.81 0.11 -1.20 117.12 117.69 1ooe n MET 174 Ca -0.02 -3.34 -0.41 0.00 -1.81 0.00 0.00 57.70 52.13 1ooe n MET 174 Cb 0.52 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.47 1ooe n MET 174 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ooe s PRO 175 N -0.73 4.63 -0.01 0.03 0.04 -1.26 -1.67 135.00 136.02 1ooe s PRO 175 Ca 0.34 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1ooe s PRO 175 Cb 0.10 -3.23 -0.21 0.00 0.04 0.00 0.00 34.50 31.20 1ooe s PRO 175 CO -0.15 0.17 1.12 0.28 0.04 0.00 0.00 177.00 178.46 1ooe h VAL 176 N 3.36 1.47 -2.99 -0.36 2.07 -1.76 -3.44 116.25 114.60 1ooe h VAL 176 Ca -0.46 -1.84 -0.23 0.00 0.82 0.00 0.00 66.70 64.99 1ooe h VAL 176 Cb 1.21 2.52 -0.33 0.00 -1.52 0.00 0.00 31.29 33.17 1ooe h VAL 176 CO 0.69 0.52 -0.56 -0.89 0.02 0.00 0.00 177.57 177.36 1ooe s THR 177 N -3.41 -0.27 0.04 2.57 2.01 -1.26 -5.09 115.64 110.23 1ooe s THR 177 Ca -0.15 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1ooe s THR 177 Cb 0.03 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1ooe s THR 177 CO 0.77 0.11 0.06 -0.76 -0.69 0.00 0.00 174.62 174.11 1ooe s LEU 178 N 2.05 3.76 -0.54 4.42 1.43 -1.26 -0.96 118.68 127.58 1ooe s LEU 178 Ca -0.01 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.86 1ooe s LEU 178 Cb -0.12 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.81 1ooe s LEU 178 CO -0.08 0.22 1.00 -0.62 0.23 0.00 0.00 176.35 177.11 1ooe s ASP 179 N -2.06 6.39 0.17 2.29 2.15 -0.49 -4.81 116.67 120.31 1ooe s ASP 179 Ca 0.26 -0.16 0.05 0.00 0.43 0.00 0.00 52.55 53.13 1ooe s ASP 179 Cb -0.12 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 1ooe s ASP 179 CO 0.18 -1.26 -0.08 0.42 -0.17 0.00 0.00 175.17 174.25 1ooe s THR 180 N 4.18 1.18 0.29 1.71 -4.23 -1.26 -4.59 115.64 112.92 1ooe s THR 180 Ca 0.35 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1ooe s THR 180 Cb -0.11 -1.97 0.28 0.00 1.34 0.00 0.00 72.50 72.03 1ooe s THR 180 CO 0.22 -0.64 1.91 -0.65 -0.54 0.00 0.00 174.62 174.92 1ooe h PRO 181 N 2.69 1.05 -0.49 3.99 0.11 -2.00 -2.14 132.00 135.22 1ooe h PRO 181 Ca -0.37 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 1ooe h PRO 181 Cb 1.20 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1ooe h PRO 181 CO 0.64 0.70 -0.13 0.52 -0.21 0.00 0.00 178.00 179.51 1ooe h MET 182 N 1.09 0.92 -0.12 1.05 2.86 -1.98 -2.49 114.93 116.26 1ooe h MET 182 Ca 0.39 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1ooe h MET 182 Cb 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1ooe h MET 182 CO -0.14 1.00 -0.42 -0.91 1.06 0.00 0.00 176.91 177.49 1ooe h ASN 183 N 0.82 0.29 0.66 1.22 2.35 -1.79 -1.98 115.58 117.15 1ooe h ASN 183 Ca 0.13 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1ooe h ASN 183 Cb 0.67 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1ooe h ASN 183 CO 0.05 0.68 -0.39 0.03 -1.65 0.00 0.00 177.43 176.15 1ooe h ARG 184 N 0.23 0.00 0.10 0.81 3.08 -1.24 -1.80 114.38 115.56 1ooe h ARG 184 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1ooe h ARG 184 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.92 1ooe h ARG 184 CO 0.07 0.39 -0.70 -0.22 -1.07 0.00 0.00 179.97 178.44 1ooe h LYS 185 N 0.00 0.30 0.00 0.04 3.64 -1.06 -3.14 116.57 116.34 1ooe h LYS 185 Ca -0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1ooe h LYS 185 Cb 0.83 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1ooe h LYS 185 CO 0.05 1.19 -0.60 -1.49 -2.27 0.00 0.00 179.45 176.33 1ooe h TRP 186 N -0.37 0.00 -1.99 1.91 4.06 -1.40 -3.36 115.95 114.81 1ooe h TRP 186 Ca -0.12 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.33 1ooe h TRP 186 Cb 1.51 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 29.27 1ooe h TRP 186 CO 0.19 0.00 -1.02 -0.12 -3.56 0.00 0.00 178.44 173.93 1ooe n MET 187 N -2.13 1.73 0.25 0.49 1.56 -0.68 -4.97 117.12 113.38 1ooe n MET 187 Ca 0.03 -3.84 0.18 0.00 -0.27 0.00 0.00 57.70 53.80 1ooe n MET 187 Cb 0.44 -1.85 0.89 0.00 2.15 0.00 0.00 33.22 34.86 1ooe n MET 187 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1ooe h PRO 188 N 2.98 0.00 -0.36 2.12 0.13 -1.70 -2.70 132.00 132.47 1ooe h PRO 188 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ooe h PRO 188 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ooe h PRO 188 CO 0.61 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.47 1ooe n ASN 189 N -3.48 4.06 -4.80 1.44 3.02 -1.26 -5.02 115.26 109.23 1ooe n ASN 189 Ca 0.00 -2.77 -0.31 0.00 -0.03 0.00 0.00 54.58 51.47 1ooe n ASN 189 Cb 0.31 -0.51 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1ooe n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ooe s ALA 190 N -2.41 2.52 -0.49 5.41 0.00 -1.02 -4.98 121.76 120.79 1ooe s ALA 190 Ca 0.41 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 1ooe s ALA 190 Cb 0.31 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1ooe s ALA 190 CO 0.13 -1.41 0.83 0.34 0.00 0.00 0.00 175.76 175.64 1ooe s ASP 191 N -3.57 6.37 0.00 0.00 -1.08 -1.26 -4.91 116.67 112.22 1ooe s ASP 191 Ca 0.60 -0.28 0.15 0.00 -0.52 0.00 0.00 52.55 52.50 1ooe s ASP 191 Cb -0.15 -2.39 0.89 0.00 -1.46 0.00 0.00 42.92 39.80 1ooe s ASP 191 CO 0.54 -1.02 1.33 1.41 0.52 0.00 0.00 175.17 177.95 1ooe n HIS 192 N 6.93 0.00 0.74 -5.34 8.25 -1.26 -2.79 115.22 121.75 1ooe n HIS 192 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1ooe n HIS 192 Cb 0.48 -0.03 0.39 0.00 1.12 0.00 0.00 29.99 31.95 1ooe n HIS 192 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ooe n SER 193 N -1.03 0.00 -0.02 0.41 3.41 -1.26 -1.76 113.62 113.38 1ooe n SER 193 Ca 0.11 0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.81 1ooe n SER 193 Cb 0.06 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1ooe n SER 193 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ooe n SER 194 N -1.29 2.04 -4.74 4.04 3.41 -1.12 -1.36 113.62 114.60 1ooe n SER 194 Ca 0.07 -2.21 -0.35 0.00 -0.26 0.00 0.00 58.87 56.12 1ooe n SER 194 Cb 0.13 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 1ooe n SER 194 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1ooe s TRP 195 N -1.36 3.43 -0.12 7.33 0.52 -0.72 -4.26 118.94 123.76 1ooe s TRP 195 Ca 0.06 0.39 -0.27 0.00 0.02 0.00 0.00 56.10 56.30 1ooe s TRP 195 Cb 0.06 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1ooe s TRP 195 CO 0.01 0.32 0.90 0.99 0.02 0.00 0.00 176.95 179.19 1ooe s THR 196 N 0.25 4.86 0.41 2.01 2.01 -0.13 -4.82 115.64 120.22 1ooe s THR 196 Ca 0.10 1.81 -0.25 0.00 0.31 0.00 0.00 61.69 63.66 1ooe s THR 196 Cb -0.11 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 1ooe s THR 196 CO -0.01 0.06 1.16 -2.84 -0.69 0.00 0.00 174.62 172.31 1ooe s PRO 197 N 1.83 4.02 0.42 4.92 0.02 -1.26 -1.40 135.00 143.55 1ooe s PRO 197 Ca 0.43 1.82 0.10 0.00 0.02 0.00 0.00 61.00 63.37 1ooe s PRO 197 Cb -0.18 -2.64 0.91 0.00 0.02 0.00 0.00 34.50 32.61 1ooe s PRO 197 CO 0.17 -0.34 2.01 -0.07 -0.33 0.00 0.00 177.00 178.44 1ooe h LEU 198 N 2.56 0.26 -2.16 -5.54 3.38 -1.96 -2.02 115.31 109.83 1ooe h LEU 198 Ca -0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1ooe h LEU 198 Cb 1.24 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ooe h LEU 198 CO 0.62 0.29 -0.04 0.77 0.09 0.00 0.00 178.44 180.17 1ooe h SER 199 N 0.29 0.00 -0.81 -0.43 4.64 -1.97 -1.39 113.55 113.89 1ooe h SER 199 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1ooe h SER 199 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1ooe h SER 199 CO -0.00 0.04 0.42 0.15 -0.87 0.00 0.00 176.83 176.57 1ooe h PHE 200 N 0.00 1.13 -0.02 4.77 3.57 -1.74 0.25 116.94 124.89 1ooe h PHE 200 Ca -0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1ooe h PHE 200 Cb 0.09 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1ooe h PHE 200 CO 0.00 0.80 -0.04 0.82 -2.23 0.00 0.00 178.31 177.66 1ooe h ILE 201 N 1.13 1.44 -0.75 1.41 2.04 -1.39 -2.51 117.51 118.88 1ooe h ILE 201 Ca 0.28 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1ooe h ILE 201 Cb 0.07 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 1ooe h ILE 201 CO -0.04 0.36 0.47 0.77 0.00 0.00 0.00 178.15 179.71 1ooe h SER 202 N -0.48 0.75 -0.64 1.72 4.64 -1.28 -0.39 113.55 117.88 1ooe h SER 202 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1ooe h SER 202 Cb 0.61 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1ooe h SER 202 CO 0.01 0.51 0.32 -0.33 -0.87 0.00 0.00 176.83 176.47 1ooe h GLU 203 N 0.89 0.91 -0.21 4.77 5.08 -0.99 -1.91 114.58 123.12 1ooe h GLU 203 Ca 0.31 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1ooe h GLU 203 Cb 0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ooe h GLU 203 CO -0.13 0.71 -0.42 0.45 -1.00 0.00 0.00 179.01 178.62 1ooe h HIS 204 N 0.87 0.60 -0.64 4.33 3.86 -0.93 -1.86 115.15 121.38 1ooe h HIS 204 Ca 0.22 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1ooe h HIS 204 Cb 0.09 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1ooe h HIS 204 CO -0.00 0.84 0.21 -0.07 0.86 0.00 0.00 177.93 179.77 1ooe h LEU 205 N 0.41 0.92 -0.67 2.43 3.38 -0.82 0.15 115.31 121.12 1ooe h LEU 205 Ca 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1ooe h LEU 205 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1ooe h LEU 205 CO 0.08 0.87 0.21 0.25 0.09 0.00 0.00 178.44 179.94 1ooe h LEU 206 N 0.91 0.97 -0.05 1.67 5.85 -1.19 -0.72 115.31 122.77 1ooe h LEU 206 Ca 0.21 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ooe h LEU 206 Cb 0.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1ooe h LEU 206 CO -0.01 0.92 0.02 0.50 -0.34 0.00 0.00 178.44 179.53 1ooe h LYS 207 N 0.97 0.07 0.00 1.25 3.64 -0.95 -1.51 116.57 120.05 1ooe h LYS 207 Ca 0.22 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1ooe h LYS 207 Cb 0.29 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1ooe h LYS 207 CO -0.01 0.19 -0.26 -1.49 -2.27 0.00 0.00 179.45 175.62 1ooe h TRP 208 N -0.07 0.00 -0.18 1.91 6.55 -0.88 0.14 115.95 123.43 1ooe h TRP 208 Ca 0.02 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.66 1ooe h TRP 208 Cb 0.14 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1ooe h TRP 208 CO -0.03 0.26 -0.65 1.15 -1.05 0.00 0.00 178.44 178.11 1ooe h THR 209 N 0.00 1.29 0.00 1.49 2.02 -0.86 -3.35 112.91 113.51 1ooe h THR 209 Ca -0.00 -1.87 -0.14 0.00 0.77 0.00 0.00 66.41 65.17 1ooe h THR 209 Cb 0.49 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1ooe h THR 209 CO 0.03 0.59 -1.32 0.71 0.37 0.00 0.00 175.52 175.90 1ooe h THR 210 N 0.48 0.44 -3.36 3.16 1.35 -1.08 -3.44 112.91 110.45 1ooe h THR 210 Ca -0.03 -1.86 -0.61 0.00 -0.55 0.00 0.00 66.41 63.35 1ooe h THR 210 Cb 1.28 1.97 -0.40 0.00 -1.73 0.00 0.00 68.15 69.28 1ooe h THR 210 CO 0.14 0.25 -0.74 -1.61 -0.25 0.00 0.00 175.52 173.31 1ooe s GLU 211 N -2.98 1.01 0.46 4.72 0.41 0.48 -5.00 118.70 117.81 1ooe s GLU 211 Ca -0.02 -1.39 0.12 0.00 -0.41 0.00 0.00 54.97 53.27 1ooe s GLU 211 Cb 0.09 -2.47 1.06 0.00 -1.78 0.00 0.00 34.13 31.03 1ooe s GLU 211 CO 0.81 -0.97 2.09 1.79 -0.49 0.00 0.00 175.26 178.49 1ooe h THR 212 N 6.54 1.06 0.00 3.63 1.35 -1.82 -2.08 112.91 121.58 1ooe h THR 212 Ca -0.10 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1ooe h THR 212 Cb 1.02 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1ooe h THR 212 CO 0.49 0.06 0.00 -1.54 -0.25 0.00 0.00 175.52 174.29 1ooe n SER 213 N -4.49 0.00 -0.45 5.36 3.41 -1.26 -2.38 113.62 113.81 1ooe n SER 213 Ca -0.00 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1ooe n SER 213 Cb 0.09 -0.35 0.25 0.00 -0.26 0.00 0.00 64.21 63.94 1ooe n SER 213 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ooe n SER 214 N -1.35 1.66 -4.79 4.04 3.41 -0.78 -4.96 113.62 110.84 1ooe n SER 214 Ca 0.08 -1.33 -0.37 0.00 -0.26 0.00 0.00 58.87 56.99 1ooe n SER 214 Cb 0.17 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1ooe n SER 214 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ooe s ARG 215 N -2.35 4.46 1.05 4.33 0.52 -1.00 -4.90 118.95 121.06 1ooe s ARG 215 Ca 0.25 1.14 -0.16 0.00 -0.52 0.00 0.00 55.73 56.44 1ooe s ARG 215 Cb 0.19 -2.86 0.22 0.00 0.52 0.00 0.00 34.95 33.02 1ooe s ARG 215 CO 0.48 0.35 1.18 -2.14 0.02 0.00 0.00 175.30 175.18 1ooe s PRO 216 N -1.96 -0.03 0.39 3.54 0.02 -1.26 -4.94 135.00 130.76 1ooe s PRO 216 Ca 0.46 -0.05 -0.27 0.00 0.02 0.00 0.00 61.00 61.16 1ooe s PRO 216 Cb -0.18 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 1ooe s PRO 216 CO 0.23 -2.92 1.46 -1.12 -0.33 0.00 0.00 177.00 174.32 1ooe s SER 217 N -4.19 6.26 0.29 2.53 0.01 -1.26 -4.91 113.70 112.43 1ooe s SER 217 Ca 0.70 3.00 -0.30 0.00 1.31 0.00 0.00 55.95 60.66 1ooe s SER 217 Cb -0.10 -2.66 -0.11 0.00 0.21 0.00 0.00 66.02 63.35 1ooe s SER 217 CO 0.55 -0.93 1.61 -0.55 0.41 0.00 0.00 173.24 174.33 1ooe s SER 218 N -0.25 6.36 0.00 2.44 0.15 -1.26 -1.84 113.70 119.29 1ooe s SER 218 Ca 0.54 2.96 0.00 0.00 0.70 0.00 0.00 55.95 60.15 1ooe s SER 218 Cb -0.45 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.22 1ooe s SER 218 CO 0.61 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1ooe n GLY 219 N 2.28 0.48 3.77 9.45 0.00 0.96 -4.90 105.19 117.22 1ooe n GLY 219 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ooe n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooe s ALA 220 N -2.18 3.41 -0.40 4.61 0.00 -0.77 -4.68 121.76 121.75 1ooe s ALA 220 Ca 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 1ooe s ALA 220 Cb 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1ooe s ALA 220 CO 0.00 -0.89 0.23 -0.51 0.00 0.00 0.00 175.76 174.59 1ooe s LEU 221 N -2.21 4.92 -0.49 0.00 1.43 -1.26 -1.98 118.68 119.08 1ooe s LEU 221 Ca 0.54 -1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.22 1ooe s LEU 221 Cb -0.42 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 43.88 1ooe s LEU 221 CO 0.55 -0.46 0.46 -0.76 0.23 0.00 0.00 176.35 176.37 1ooe s LEU 222 N 1.48 5.55 -0.10 1.79 1.43 0.26 -1.12 118.68 127.98 1ooe s LEU 222 Ca 0.02 -1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 51.53 1ooe s LEU 222 Cb -0.21 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1ooe s LEU 222 CO 0.04 -0.74 0.96 -0.75 0.23 0.00 0.00 176.35 176.09 1ooe s LYS 223 N 1.87 4.43 -0.21 1.70 2.20 -0.71 0.07 119.74 129.09 1ooe s LYS 223 Ca 0.06 1.31 -0.03 0.00 -0.36 0.00 0.00 55.97 56.95 1ooe s LYS 223 Cb -0.24 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1ooe s LYS 223 CO 0.07 -0.25 -0.06 0.42 -0.36 0.00 0.00 175.35 175.17 1ooe s ILE 224 N 1.80 3.29 0.16 5.43 1.01 -0.67 -0.85 121.20 131.37 1ooe s ILE 224 Ca 0.47 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.66 1ooe s ILE 224 Cb -0.18 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1ooe s ILE 224 CO 0.19 0.44 -0.16 0.42 0.00 0.00 0.00 174.94 175.83 1ooe s THR 225 N 1.32 1.63 -0.04 2.92 -4.23 -0.44 -1.82 115.64 114.97 1ooe s THR 225 Ca 0.04 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1ooe s THR 225 Cb -0.14 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1ooe s THR 225 CO -0.03 -0.45 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.66 1ooe s THR 226 N -2.42 0.59 -0.07 3.99 2.01 -1.26 0.16 115.64 118.64 1ooe s THR 226 Ca 0.16 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1ooe s THR 226 Cb -0.04 -0.60 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1ooe s THR 226 CO 0.05 0.23 0.17 -0.70 -0.69 0.00 0.00 174.62 173.69 1ooe s GLU 227 N 0.85 0.13 -1.73 4.92 2.12 -0.51 -4.11 118.70 120.37 1ooe s GLU 227 Ca -0.12 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 1ooe s GLU 227 Cb -0.15 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.12 1ooe s GLU 227 CO 0.01 -0.14 0.13 0.09 -0.54 0.00 0.00 175.26 174.80 1ooe n ASN 228 N 4.03 -5.93 0.00 -1.70 4.13 -0.89 -1.79 115.26 113.12 1ooe n ASN 228 Ca -0.24 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 55.95 1ooe n ASN 228 Cb 0.53 -4.90 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 1ooe n ASN 228 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ooe n GLY 229 N -1.12 1.61 3.58 7.41 0.00 -0.46 -5.02 105.19 111.19 1ooe n GLY 229 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1ooe n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ooe s THR 230 N -3.49 4.45 0.05 2.61 2.01 -0.74 -5.08 115.64 115.46 1ooe s THR 230 Ca 0.00 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 1ooe s THR 230 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1ooe s THR 230 CO 0.00 0.47 0.36 -0.44 -0.69 0.00 0.00 174.62 174.32 1ooe s SER 231 N 0.37 6.60 0.01 3.53 0.01 -1.26 -1.42 113.70 121.54 1ooe s SER 231 Ca 0.00 0.72 0.02 0.00 1.31 0.00 0.00 55.95 58.00 1ooe s SER 231 Cb -0.13 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1ooe s SER 231 CO 0.01 0.20 -0.07 -0.89 0.41 0.00 0.00 173.24 172.91 1ooe s THR 232 N -1.35 0.49 -0.23 1.44 2.01 0.12 -4.98 115.64 113.14 1ooe s THR 232 Ca 0.31 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1ooe s THR 232 Cb -0.14 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.92 1ooe s THR 232 CO 0.17 -0.03 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.38 1ooe s ILE 233 N -0.53 3.05 -0.20 1.82 1.01 -1.26 -1.33 121.20 123.75 1ooe s ILE 233 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1ooe s ILE 233 Cb -0.05 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 40.02 1ooe s ILE 233 CO 0.00 0.34 -0.12 -0.89 0.00 0.00 0.00 174.94 174.27 1ooe s THR 234 N 1.40 1.80 0.32 2.92 2.01 -0.03 -4.95 115.64 119.10 1ooe s THR 234 Ca 0.04 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 1ooe s THR 234 Cb -0.15 -1.82 -0.11 0.00 0.01 0.00 0.00 72.50 70.44 1ooe s THR 234 CO -0.05 0.22 1.42 -2.84 -0.69 0.00 0.00 174.62 172.68 1ooe s PRO 235 N 1.34 4.24 0.00 4.92 0.02 -1.26 -1.74 135.00 142.51 1ooe s PRO 235 Ca -0.01 2.38 0.20 0.00 0.02 0.00 0.00 61.00 63.59 1ooe s PRO 235 Cb -0.16 -3.04 0.16 0.00 0.02 0.00 0.00 34.50 31.48 1ooe s PRO 235 CO -0.09 -0.39 1.14 1.04 -0.33 0.00 0.00 177.00 178.37