#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 -0.12 4.04 0.02 0.22 -3.49 113.55 114.23 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 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1ooe n GLY 4 N 0.10 -0.19 3.00 -3.77 0.00 -1.26 -4.95 105.19 98.13 1ooe n GLY 4 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 0.61 0.05 1.61 1.02 -1.26 -0.37 119.74 119.39 1ooe s LYS 5 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 1ooe s LYS 5 Cb 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1ooe s LYS 5 CO 0.00 0.16 -0.04 0.14 -0.92 0.00 0.00 175.35 174.69 1ooe s VAL 6 N -0.19 0.26 -0.13 3.17 -7.23 -0.62 -0.16 120.40 115.50 1ooe s VAL 6 Ca 0.03 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1ooe s VAL 6 Cb -0.03 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 1ooe s VAL 6 CO -0.00 -0.78 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.23 1ooe s ILE 7 N -2.94 2.88 -0.28 -0.62 1.01 -0.57 -1.64 121.20 119.04 1ooe s ILE 7 Ca -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 1ooe s ILE 7 Cb 0.01 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.33 1ooe s ILE 7 CO -0.06 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 1ooe s VAL 8 N 0.40 2.69 -0.50 2.92 1.01 -0.05 -0.61 120.40 126.26 1ooe s VAL 8 Ca -0.11 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.28 1ooe s VAL 8 Cb -0.16 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1ooe s VAL 8 CO 0.06 -0.02 0.60 -0.47 0.00 0.00 0.00 175.10 175.27 1ooe s TYR 9 N 1.22 3.07 0.00 5.22 6.14 0.29 -1.50 117.35 131.79 1ooe s TYR 9 Ca -0.05 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.10 1ooe s TYR 9 Cb -0.19 -3.50 0.00 0.00 0.42 0.00 0.00 41.96 38.69 1ooe s TYR 9 CO -0.03 -1.01 0.00 0.41 0.64 0.00 0.00 175.55 175.56 1ooe n GLY 10 N 5.17 1.98 0.00 8.97 0.00 0.37 -0.95 105.19 120.72 1ooe n GLY 10 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.61 0.05 -0.02 0.00 -1.25 -2.18 105.19 100.82 1ooe n GLY 11 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.37 0.30 -1.48 1.61 4.76 -1.26 -2.99 118.16 117.74 1ooe n LYS 12 Ca 0.03 0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 1ooe n LYS 12 Cb 0.07 -1.63 0.12 0.00 -1.84 0.00 0.00 35.03 31.75 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 -3.68 1.59 0.10 0.72 0.00 -0.92 -4.76 107.32 100.38 1ooe s GLY 13 Ca 0.04 -0.37 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 1ooe s GLY 13 CO 0.77 0.15 1.65 0.00 0.00 0.00 0.00 173.10 175.67 1ooe h ALA 14 N -1.41 -0.46 -0.21 3.20 0.00 -1.92 0.10 119.26 118.57 1ooe h ALA 14 Ca -0.50 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1ooe h ALA 14 Cb 1.31 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ooe h ALA 14 CO 0.60 -0.79 -0.14 1.25 0.00 0.00 0.00 179.25 180.17 1ooe h LEU 15 N -0.48 0.48 -0.90 0.00 5.85 -1.93 -2.69 115.31 115.64 1ooe h LEU 15 Ca 0.01 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.35 1ooe h LEU 15 Cb 0.47 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1ooe h LEU 15 CO -0.08 0.81 0.57 1.23 -0.34 0.00 0.00 178.44 180.63 1ooe h GLY 16 N 0.15 1.34 1.48 3.75 0.00 -1.66 -0.26 103.07 107.88 1ooe h GLY 16 Ca 0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1ooe h GLY 16 CO 0.04 0.31 -0.40 1.48 0.00 0.00 0.00 176.54 177.97 1ooe h SER 17 N 1.06 0.61 -0.44 0.19 4.64 -0.69 -1.07 113.55 117.85 1ooe h SER 17 Ca 0.38 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1ooe h SER 17 Cb 0.12 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1ooe h SER 17 CO -0.16 0.94 0.04 0.00 -0.87 0.00 0.00 176.83 176.79 1ooe h ALA 18 N 1.09 0.58 -0.11 5.18 0.00 -1.04 -0.53 119.26 124.44 1ooe h ALA 18 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ooe h ALA 18 Cb 0.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ooe h ALA 18 CO 0.08 0.33 0.06 0.82 0.00 0.00 0.00 179.25 180.53 1ooe h ILE 19 N 0.59 1.11 -0.64 0.00 2.04 -0.92 -0.96 117.51 118.73 1ooe h ILE 19 Ca 0.13 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1ooe h ILE 19 Cb 0.42 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1ooe h ILE 19 CO 0.01 0.09 0.36 0.25 0.00 0.00 0.00 178.15 178.87 1ooe h LEU 20 N 0.06 0.55 -0.61 1.44 6.46 -1.05 -1.48 115.31 120.68 1ooe h LEU 20 Ca 0.04 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1ooe h LEU 20 Cb 0.10 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1ooe h LEU 20 CO -0.01 0.36 0.09 -0.33 -0.62 0.00 0.00 178.44 177.94 1ooe h GLU 21 N 0.68 1.02 -0.59 1.25 4.39 -0.90 -1.61 114.58 118.82 1ooe h GLU 21 Ca 0.28 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1ooe h GLU 21 Cb 0.14 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ooe h GLU 21 CO -0.16 0.96 -0.01 0.35 -1.16 0.00 0.00 179.01 178.99 1ooe h PHE 22 N 0.93 1.14 -0.00 4.33 3.57 -0.71 -0.56 116.94 125.63 1ooe h PHE 22 Ca 0.18 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1ooe h PHE 22 Cb 0.44 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ooe h PHE 22 CO 0.03 1.01 -0.76 0.74 -2.23 0.00 0.00 178.31 177.10 1ooe h PHE 23 N 0.95 0.06 -0.43 0.41 -1.00 -1.22 -2.54 116.94 113.16 1ooe h PHE 23 Ca 0.17 -0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.78 1ooe h PHE 23 Cb 0.57 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1ooe h PHE 23 CO 0.04 0.78 -0.28 -0.22 -1.61 0.00 0.00 178.31 177.02 1ooe h LYS 24 N 0.03 0.96 0.00 1.51 3.64 -1.10 -0.47 116.57 121.14 1ooe h LYS 24 Ca -0.01 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1ooe h LYS 24 Cb 1.34 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1ooe h LYS 24 CO 0.10 1.11 -0.14 -0.22 -2.27 0.00 0.00 179.45 178.04 1ooe h LYS 25 N 0.79 0.00 -0.83 1.90 3.64 -1.00 -2.66 116.57 118.41 1ooe h LYS 25 Ca 0.09 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 1ooe h LYS 25 Cb 0.86 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.52 1ooe h LYS 25 CO 0.08 0.14 0.35 0.09 -2.27 0.00 0.00 179.45 177.84 1ooe n ASN 26 N -3.70 4.49 0.00 4.20 3.02 -0.97 -4.92 115.26 117.38 1ooe n ASN 26 Ca -0.02 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1ooe n ASN 26 Cb 0.26 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.34 0.61 3.88 7.41 0.00 -1.00 -4.70 105.19 111.05 1ooe n GLY 27 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.27 3.44 -0.14 1.61 1.51 -0.21 0.89 117.35 122.18 1ooe s TYR 28 Ca 0.00 0.80 -0.19 0.00 -1.01 0.00 0.00 57.07 56.67 1ooe s TYR 28 Cb 0.00 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1ooe s TYR 28 CO 0.00 0.24 0.52 0.99 -1.11 0.00 0.00 175.55 176.20 1ooe s THR 29 N -1.89 5.14 -0.09 -0.71 2.01 0.50 -4.30 115.64 116.30 1ooe s THR 29 Ca 0.46 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.52 1ooe s THR 29 Cb -0.11 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1ooe s THR 29 CO 0.24 0.26 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 1ooe s VAL 30 N 1.01 2.24 -0.18 3.82 1.01 -1.26 -1.59 120.40 125.44 1ooe s VAL 30 Ca 0.27 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1ooe s VAL 30 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1ooe s VAL 30 CO 0.11 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.99 1ooe s LEU 31 N 0.15 3.27 -0.12 3.92 1.02 -0.65 -0.98 118.68 125.29 1ooe s LEU 31 Ca -0.12 -0.15 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 1ooe s LEU 31 Cb -0.16 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1ooe s LEU 31 CO 0.07 0.13 0.08 0.21 0.02 0.00 0.00 176.35 176.85 1ooe s ASN 32 N 0.63 5.85 -0.17 2.29 2.47 -0.05 -0.87 114.94 125.09 1ooe s ASN 32 Ca -0.01 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.57 1ooe s ASN 32 Cb -0.14 -1.83 0.03 0.00 -1.45 0.00 0.00 41.25 37.86 1ooe s ASN 32 CO 0.02 0.37 -0.12 -0.63 -3.72 0.00 0.00 177.10 173.02 1ooe s ILE 33 N -0.79 1.55 0.17 -5.21 1.01 -0.56 0.27 121.20 117.64 1ooe s ILE 33 Ca 0.13 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 1ooe s ILE 33 Cb -0.12 -1.55 0.07 0.00 0.01 0.00 0.00 42.46 40.87 1ooe s ILE 33 CO 0.03 0.30 0.92 -0.67 0.00 0.00 0.00 174.94 175.52 1ooe n ASP 34 N 4.75 -1.56 0.17 3.58 4.64 -0.93 -0.48 116.55 126.72 1ooe n ASP 34 Ca -0.15 -1.83 0.03 0.00 -1.38 0.00 0.00 54.79 51.45 1ooe n ASP 34 Cb 0.48 2.54 0.31 0.00 -1.04 0.00 0.00 41.12 43.42 1ooe n ASP 34 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1ooe h LEU 35 N 0.00 0.00 -8.65 -2.67 3.38 -1.87 -2.19 115.31 103.30 1ooe h LEU 35 Ca -0.24 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.45 1ooe h LEU 35 Cb 1.07 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1ooe h LEU 35 CO 0.33 0.44 -0.65 -0.94 0.09 0.00 0.00 178.44 177.71 1ooe s SER 36 N -6.74 0.98 0.26 -0.43 1.04 -1.26 -4.57 113.70 102.98 1ooe s SER 36 Ca -0.02 -1.23 -0.23 0.00 0.48 0.00 0.00 55.95 54.95 1ooe s SER 36 Cb 0.13 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 1ooe s SER 36 CO 0.72 -0.64 0.82 0.00 0.98 0.00 0.00 173.24 175.12 1ooe s ALA 37 N -3.78 3.33 -0.39 5.32 0.00 -1.26 -4.85 121.76 120.14 1ooe s ALA 37 Ca 0.27 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1ooe s ALA 37 Cb 0.07 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1ooe s ALA 37 CO 0.06 0.26 0.23 1.21 0.00 0.00 0.00 175.76 177.52 1ooe s ASN 38 N -1.60 5.76 0.00 0.00 3.84 -1.26 -4.97 114.94 116.71 1ooe s ASN 38 Ca 0.45 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 52.44 1ooe s ASN 38 Cb -0.18 -2.03 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1ooe s ASN 38 CO 0.23 -0.43 0.93 -0.90 -2.79 0.00 0.00 177.10 174.14 1ooe n ASP 39 N 5.00 0.00 0.00 -4.21 5.68 -1.26 -1.38 116.55 120.39 1ooe n ASP 39 Ca -0.12 0.43 0.11 0.00 -0.50 0.00 0.00 54.79 54.72 1ooe n ASP 39 Cb 0.45 -0.43 0.08 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.43 0.03 -2.24 0.11 1.13 -1.26 -4.93 117.38 108.79 1ooe n GLN 40 Ca 0.00 -0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 1ooe n GLN 40 Cb 0.01 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.84 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 -3.02 2.98 0.03 -1.58 0.00 -0.48 -4.97 121.76 114.73 1ooe s ALA 41 Ca 0.09 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1ooe s ALA 41 Cb 0.17 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 1ooe s ALA 41 CO 0.78 -0.45 1.36 -0.44 0.00 0.00 0.00 175.76 177.02 1ooe h ASP 42 N 0.63 0.00 -4.23 0.00 5.19 -1.38 -3.45 116.42 113.18 1ooe h ASP 42 Ca -0.46 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.76 1ooe h ASP 42 Cb 1.19 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.46 1ooe h ASP 42 CO 0.60 0.80 -0.59 -0.44 -3.12 0.00 0.00 179.24 176.50 1ooe s SER 43 N -6.62 -0.03 -0.14 6.45 0.01 -1.17 -5.03 113.70 107.17 1ooe s SER 43 Ca 0.02 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1ooe s SER 43 Cb 0.09 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.54 1ooe s SER 43 CO 0.79 -0.15 -0.14 0.20 0.41 0.00 0.00 173.24 174.35 1ooe s ASN 44 N -0.50 2.59 -0.33 2.44 0.01 -1.26 -0.87 114.94 117.01 1ooe s ASN 44 Ca -0.06 -0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 51.55 1ooe s ASN 44 Cb -0.04 -1.13 0.02 0.00 0.41 0.00 0.00 41.25 40.51 1ooe s ASN 44 CO 0.00 -0.05 0.15 -0.63 -1.51 0.00 0.00 177.10 175.06 1ooe s ILE 45 N 1.42 4.33 -0.08 0.60 1.09 0.14 -4.98 121.20 123.73 1ooe s ILE 45 Ca 0.03 -0.74 -0.14 0.00 -1.10 0.00 0.00 60.65 58.70 1ooe s ILE 45 Cb -0.13 -3.33 -0.05 0.00 -1.06 0.00 0.00 42.46 37.89 1ooe s ILE 45 CO -0.09 -0.08 0.35 -0.76 -0.10 0.00 0.00 174.94 174.27 1ooe s LEU 46 N 1.54 4.37 -0.06 2.97 1.02 -1.26 -2.18 118.68 125.07 1ooe s LEU 46 Ca 0.02 0.75 0.02 0.00 0.02 0.00 0.00 54.13 54.94 1ooe s LEU 46 Cb -0.18 -2.48 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 1ooe s LEU 46 CO 0.05 0.22 -0.10 0.68 0.02 0.00 0.00 176.35 177.22 1ooe s VAL 47 N -0.39 3.42 -0.47 -1.59 -7.23 -0.82 -4.90 120.40 108.43 1ooe s VAL 47 Ca 0.21 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 1ooe s VAL 47 Cb -0.15 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.46 1ooe s VAL 47 CO 0.09 0.59 0.52 -0.62 -0.31 0.00 0.00 175.10 175.37 1ooe s ASP 48 N -0.74 6.20 0.11 4.85 -1.08 -1.26 -4.55 116.67 120.19 1ooe s ASP 48 Ca 0.11 -0.92 0.10 0.00 -0.52 0.00 0.00 52.55 51.32 1ooe s ASP 48 Cb -0.11 -2.25 0.49 0.00 -1.46 0.00 0.00 42.92 39.60 1ooe s ASP 48 CO 0.01 -0.74 1.31 0.61 0.52 0.00 0.00 175.17 176.88 1ooe n GLY 49 N 5.16 -0.74 0.00 2.66 0.00 -1.26 -1.93 105.19 109.08 1ooe n GLY 49 Ca -0.08 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ooe n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ooe n ASN 50 N -1.77 0.43 -4.85 1.61 3.02 -1.26 -4.88 115.26 107.56 1ooe n ASN 50 Ca 0.00 -0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 1ooe n ASN 50 Cb 0.05 0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 1ooe n ASN 50 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ooe s LYS 51 N -3.00 3.72 0.98 3.52 1.02 -0.81 -5.06 119.74 120.11 1ooe s LYS 51 Ca 0.11 0.87 -0.16 0.00 0.02 0.00 0.00 55.97 56.82 1ooe s LYS 51 Cb 0.18 -2.10 0.20 0.00 -0.52 0.00 0.00 37.83 35.59 1ooe s LYS 51 CO 0.68 -0.46 1.29 0.54 -0.92 0.00 0.00 175.35 176.47 1ooe s ASN 52 N -3.59 2.98 0.15 2.83 2.20 -1.26 -4.73 114.94 113.53 1ooe s ASN 52 Ca 0.57 0.35 -0.19 0.00 -0.94 0.00 0.00 52.86 52.66 1ooe s ASN 52 Cb -0.11 -0.46 0.04 0.00 -2.00 0.00 0.00 41.25 38.73 1ooe s ASN 52 CO 0.43 -2.82 1.68 -0.25 -2.94 0.00 0.00 177.10 173.19 1ooe h TRP 53 N -1.70 -0.24 -0.08 1.54 2.91 -1.98 0.49 115.95 116.89 1ooe h TRP 53 Ca -0.45 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.49 1ooe h TRP 53 Cb 1.25 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 1ooe h TRP 53 CO -1.14 -0.17 -0.46 1.79 -1.03 0.00 0.00 178.44 177.43 1ooe h THR 54 N -0.04 1.33 -0.42 2.65 1.35 -1.99 -0.67 112.91 115.12 1ooe h THR 54 Ca 0.15 -1.64 -0.14 0.00 -0.55 0.00 0.00 66.41 64.22 1ooe h THR 54 Cb 0.27 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1ooe h THR 54 CO -0.33 0.48 -0.30 -0.33 -0.25 0.00 0.00 175.52 174.80 1ooe h GLU 55 N 0.16 0.95 -0.55 4.72 5.08 -1.81 -1.43 114.58 121.70 1ooe h GLU 55 Ca 0.01 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1ooe h GLU 55 Cb 0.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ooe h GLU 55 CO 0.07 1.12 0.09 1.96 -1.00 0.00 0.00 179.01 181.24 1ooe h GLN 56 N 0.78 0.91 0.25 2.33 4.20 -0.67 -1.48 115.11 121.43 1ooe h GLN 56 Ca 0.08 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1ooe h GLN 56 Cb 0.88 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1ooe h GLN 56 CO 0.08 0.88 -0.12 1.49 -0.67 0.00 0.00 178.83 180.49 1ooe h GLU 57 N 0.80 -0.33 -0.67 1.46 4.81 -0.97 -0.78 114.58 118.91 1ooe h GLU 57 Ca 0.17 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1ooe h GLU 57 Cb 0.41 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1ooe h GLU 57 CO 0.01 -0.22 0.41 0.37 -0.73 0.00 0.00 179.01 178.85 1ooe h GLN 58 N -0.34 0.77 -0.26 1.92 4.15 -1.17 -0.09 115.11 120.09 1ooe h GLN 58 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1ooe h GLN 58 Cb 0.26 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1ooe h GLN 58 CO 0.05 0.51 0.11 1.03 -1.93 0.00 0.00 178.83 178.60 1ooe h SER 59 N 0.79 0.35 -0.43 -0.69 0.87 -1.10 -1.60 113.55 111.75 1ooe h SER 59 Ca 0.27 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1ooe h SER 59 Cb 0.04 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1ooe h SER 59 CO -0.12 0.41 -0.11 0.40 -0.53 0.00 0.00 176.83 176.88 1ooe h ILE 60 N 0.27 1.27 -0.59 2.23 2.04 -0.90 -2.41 117.51 119.44 1ooe h ILE 60 Ca 0.09 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1ooe h ILE 60 Cb 0.17 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1ooe h ILE 60 CO -0.01 0.41 0.05 -0.07 0.00 0.00 0.00 178.15 178.54 1ooe h LEU 61 N 0.65 0.97 -0.37 1.44 -0.00 -0.98 -1.40 115.31 115.62 1ooe h LEU 61 Ca 0.11 -0.28 -0.13 0.00 -0.00 0.00 0.00 57.88 57.58 1ooe h LEU 61 Cb 0.65 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1ooe h LEU 61 CO 0.04 1.01 -0.26 -0.33 -0.00 0.00 0.00 178.44 178.90 1ooe h GLU 62 N 0.89 0.84 -0.63 1.13 5.08 -1.27 -1.42 114.58 119.20 1ooe h GLU 62 Ca 0.17 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1ooe h GLU 62 Cb 0.48 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ooe h GLU 62 CO 0.02 1.04 0.05 1.96 -1.00 0.00 0.00 179.01 181.08 1ooe h GLN 63 N 0.64 1.08 -0.54 2.33 4.20 -1.39 -1.96 115.11 119.47 1ooe h GLN 63 Ca 0.07 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 1ooe h GLN 63 Cb 0.84 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1ooe h GLN 63 CO 0.07 1.03 -0.08 1.15 -0.67 0.00 0.00 178.83 180.33 1ooe h THR 64 N 0.99 1.27 -0.47 -0.54 2.02 -1.18 -2.29 112.91 112.71 1ooe h THR 64 Ca 0.18 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1ooe h THR 64 Cb 0.51 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1ooe h THR 64 CO 0.02 0.43 -0.06 0.00 0.37 0.00 0.00 175.52 176.29 1ooe h ALA 65 N 0.93 1.03 -0.07 6.16 0.00 -1.14 -0.20 119.26 125.96 1ooe h ALA 65 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1ooe h ALA 65 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ooe h ALA 65 CO 0.04 0.59 -0.35 0.77 0.00 0.00 0.00 179.25 180.31 1ooe h SER 66 N 0.74 0.13 0.93 0.00 0.02 -1.22 -0.03 113.55 114.12 1ooe h SER 66 Ca 0.13 -0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.82 1ooe h SER 66 Cb 0.53 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1ooe h SER 66 CO 0.03 0.48 -1.03 0.28 -1.14 0.00 0.00 176.83 175.45 1ooe h SER 67 N 0.12 0.07 0.33 3.07 0.02 -0.83 -3.35 113.55 112.97 1ooe h SER 67 Ca 0.01 -0.07 -0.33 0.00 -0.84 0.00 0.00 61.79 60.57 1ooe h SER 67 Cb 0.67 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1ooe h SER 67 CO 0.05 1.05 -1.77 -0.07 -1.14 0.00 0.00 176.83 174.94 1ooe h LEU 68 N 0.01 0.28 -2.61 5.07 3.38 -0.89 -3.50 115.31 117.06 1ooe h LEU 68 Ca -0.03 -0.55 -0.35 0.00 0.09 0.00 0.00 57.88 57.04 1ooe h LEU 68 Cb 1.78 -0.09 0.13 0.00 0.09 0.00 0.00 40.66 42.57 1ooe h LEU 68 CO 0.14 1.48 -0.88 0.00 0.09 0.00 0.00 178.44 179.27 1ooe n GLN 69 N -3.34 -2.43 -0.21 1.13 1.13 -0.04 -2.47 117.38 111.15 1ooe n GLN 69 Ca -0.23 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1ooe n GLN 69 Cb 1.05 -5.06 0.00 0.00 0.11 0.00 0.00 30.24 26.34 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 -1.46 2.27 3.86 1.08 0.00 -1.26 -5.01 105.19 104.67 1ooe n GLY 70 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1ooe n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ooe s SER 71 N -3.58 6.20 0.36 1.61 0.15 -1.03 -5.08 113.70 112.33 1ooe s SER 71 Ca 0.00 1.45 0.08 0.00 0.70 0.00 0.00 55.95 58.17 1ooe s SER 71 Cb 0.00 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 1ooe s SER 71 CO 0.00 -0.89 0.33 -1.10 1.20 0.00 0.00 173.24 172.78 1ooe s GLN 72 N -5.08 2.67 0.21 5.44 -0.21 -1.26 -4.93 119.66 116.49 1ooe s GLN 72 Ca 0.56 -1.37 0.10 0.00 0.02 0.00 0.00 55.36 54.67 1ooe s GLN 72 Cb -0.11 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1ooe s GLN 72 CO 0.52 -0.01 -0.14 0.14 -2.12 0.00 0.00 175.29 173.68 1ooe s VAL 73 N -2.36 2.87 -0.32 1.09 -7.23 -0.05 -4.75 120.40 109.66 1ooe s VAL 73 Ca 0.44 -1.90 0.22 0.00 -1.81 0.00 0.00 61.98 58.93 1ooe s VAL 73 Cb -0.05 -2.43 0.14 0.00 0.56 0.00 0.00 36.38 34.60 1ooe s VAL 73 CO 0.27 -0.18 1.28 0.44 -0.31 0.00 0.00 175.10 176.60 1ooe h ASP 74 N 2.81 0.00 -4.53 4.85 3.45 -0.88 -1.41 116.42 120.71 1ooe h ASP 74 Ca -0.45 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.06 1ooe h ASP 74 Cb 1.22 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.80 1ooe h ASP 74 CO 0.54 0.02 0.43 -0.83 -1.57 0.00 0.00 179.24 177.83 1ooe s GLY 75 N -4.31 -0.42 -0.14 2.75 0.00 -1.24 -2.64 107.32 101.32 1ooe s GLY 75 Ca 0.03 1.48 -0.00 0.00 0.00 0.00 0.00 44.72 46.22 1ooe s GLY 75 CO 0.74 0.76 -0.07 0.14 0.00 0.00 0.00 173.10 174.67 1ooe s VAL 76 N -1.87 1.11 -0.21 1.40 1.01 -0.52 -1.52 120.40 119.81 1ooe s VAL 76 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ooe s VAL 76 Cb -0.01 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1ooe s VAL 76 CO -0.00 0.27 -0.13 -0.36 0.00 0.00 0.00 175.10 174.87 1ooe s PHE 77 N 1.65 2.94 -0.28 5.22 0.08 0.22 -0.78 117.98 127.03 1ooe s PHE 77 Ca 0.03 -1.62 -0.05 0.00 0.12 0.00 0.00 56.93 55.41 1ooe s PHE 77 Cb -0.14 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1ooe s PHE 77 CO -0.08 -0.76 0.03 0.00 -0.10 0.00 0.00 175.22 174.30 1ooe n VAL 79 N 4.79 0.96 -1.52 0.00 0.24 -0.13 -3.13 118.33 119.54 1ooe n VAL 79 Ca -0.15 -1.36 -0.31 0.00 -2.04 0.00 0.00 64.34 60.48 1ooe n VAL 79 Cb 0.47 0.21 0.06 0.00 -1.47 0.00 0.00 33.84 33.11 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 -1.44 2.61 0.00 2.33 0.00 -1.09 -4.86 121.76 119.31 1ooe s ALA 80 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1ooe s ALA 80 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ooe s ALA 80 CO -0.02 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1ooe n GLY 81 N -1.87 3.00 0.00 0.00 0.00 -1.26 -4.75 105.19 100.32 1ooe n GLY 81 Ca 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.34 4.72 3.01 -0.02 0.00 -1.26 -5.05 105.19 106.93 1ooe n GLY 82 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 2.10 0.04 -0.14 1.61 -0.00 -1.26 -4.98 118.94 116.31 1ooe s TRP 83 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 56.10 55.92 1ooe s TRP 83 Cb 0.00 -0.05 0.05 0.00 -0.00 0.00 0.00 33.47 33.47 1ooe s TRP 83 CO 0.00 -0.16 0.36 0.00 -0.00 0.00 0.00 176.95 177.16 1ooe s ALA 84 N -0.78 -0.91 0.00 5.86 0.00 -1.26 -5.12 121.76 119.55 1ooe s ALA 84 Ca -0.09 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1ooe s ALA 84 Cb -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1ooe s ALA 84 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1ooe n GLY 85 N 3.63 3.98 0.00 0.00 0.00 -1.26 -4.36 105.19 107.18 1ooe n GLY 85 Ca -0.19 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 3.61 3.27 -0.02 0.00 -0.27 -4.81 105.19 111.98 1ooe n GLY 86 Ca 0.00 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 0.61 0.25 1.61 3.41 -1.24 -1.87 113.62 116.38 1ooe n SER 87 Ca 0.00 -1.68 0.17 0.00 -0.26 0.00 0.00 58.87 57.09 1ooe n SER 87 Cb 0.00 -0.71 0.69 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.22 1.00 0.00 7.33 0.00 -1.96 -2.42 119.26 121.99 1ooe h ALA 88 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ooe h ALA 88 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ooe h ALA 88 CO 0.28 0.00 -0.45 -1.13 0.00 0.00 0.00 179.25 177.95 1ooe n SER 89 N -2.89 0.45 -4.76 0.00 3.41 -1.26 -4.86 113.62 103.71 1ooe n SER 89 Ca 0.01 -0.16 -0.39 0.00 -0.26 0.00 0.00 58.87 58.07 1ooe n SER 89 Cb 0.26 0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1ooe n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ooe s SER 90 N -3.03 5.95 0.40 4.04 1.04 -0.91 -4.91 113.70 116.29 1ooe s SER 90 Ca 0.11 2.67 0.07 0.00 0.48 0.00 0.00 55.95 59.29 1ooe s SER 90 Cb 0.18 -2.63 0.85 0.00 0.10 0.00 0.00 66.02 64.51 1ooe s SER 90 CO 0.68 -1.10 2.04 0.50 0.98 0.00 0.00 173.24 176.35 1ooe h LYS 91 N 2.21 0.56 -0.75 4.02 3.64 -1.91 -2.58 116.57 121.77 1ooe h LYS 91 Ca -0.50 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 58.55 1ooe h LYS 91 Cb 1.26 -0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 32.78 1ooe h LYS 91 CO 0.61 0.37 0.34 -0.25 -2.27 0.00 0.00 179.45 178.24 1ooe n ASP 92 N -4.47 4.12 0.13 4.20 8.00 -1.26 -4.69 116.55 122.57 1ooe n ASP 92 Ca 0.05 -3.41 -0.16 0.00 0.71 0.00 0.00 54.79 51.97 1ooe n ASP 92 Cb 0.10 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.36 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 1.85 -1.43 -0.30 1.24 3.57 -1.69 0.63 116.94 120.82 1ooe h PHE 93 Ca 0.37 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 1ooe h PHE 93 Cb 2.38 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 41.71 1ooe h PHE 93 CO 1.31 -0.59 -0.03 0.28 -2.23 0.00 0.00 178.31 177.05 1ooe h VAL 94 N -0.75 1.27 -0.55 1.41 2.07 -1.86 -1.30 116.25 116.53 1ooe h VAL 94 Ca -0.00 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1ooe h VAL 94 Cb 0.75 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1ooe h VAL 94 CO -0.26 0.33 0.14 0.50 0.02 0.00 0.00 177.57 178.30 1ooe h LYS 95 N 0.34 0.27 -0.06 1.57 3.64 -1.83 0.26 116.57 120.75 1ooe h LYS 95 Ca 0.08 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 1ooe h LYS 95 Cb 0.49 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ooe h LYS 95 CO 0.02 0.18 -0.66 -0.91 -2.27 0.00 0.00 179.45 175.82 1ooe h ASN 96 N 0.28 0.29 -0.79 4.20 2.35 -0.81 -2.18 115.58 118.90 1ooe h ASN 96 Ca 0.28 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1ooe h ASN 96 Cb 0.38 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1ooe h ASN 96 CO -0.34 0.86 0.36 0.00 -1.65 0.00 0.00 177.43 176.65 1ooe h ALA 97 N 1.14 1.03 -0.18 -0.83 0.00 -0.39 0.36 119.26 120.38 1ooe h ALA 97 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ooe h ALA 97 Cb 1.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ooe h ALA 97 CO 0.10 0.62 0.11 0.22 0.00 0.00 0.00 179.25 180.30 1ooe h ASP 98 N 1.14 0.22 -0.85 0.00 3.58 -0.79 -1.28 116.42 118.44 1ooe h ASP 98 Ca 0.27 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1ooe h ASP 98 Cb 0.16 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1ooe h ASP 98 CO -0.03 0.20 0.45 -0.07 -2.88 0.00 0.00 179.24 176.91 1ooe h LEU 99 N 0.22 1.07 -0.67 2.28 3.38 -0.92 -2.41 115.31 118.27 1ooe h LEU 99 Ca 0.07 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1ooe h LEU 99 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1ooe h LEU 99 CO -0.01 0.87 -0.43 0.24 0.09 0.00 0.00 178.44 179.20 1ooe h MET 100 N 1.19 0.54 -0.34 1.13 2.86 -0.67 -0.92 114.93 118.72 1ooe h MET 100 Ca 0.30 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1ooe h MET 100 Cb 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ooe h MET 100 CO -0.05 0.87 0.00 0.82 1.06 0.00 0.00 176.91 179.61 1ooe h ILE 101 N 0.44 1.26 -0.67 -1.22 2.04 -1.07 -1.27 117.51 117.01 1ooe h ILE 101 Ca 0.03 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1ooe h ILE 101 Cb 0.93 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1ooe h ILE 101 CO 0.08 0.32 0.21 0.11 0.00 0.00 0.00 178.15 178.87 1ooe h LYS 102 N 0.41 1.03 -0.03 2.37 1.57 -1.31 -1.06 116.57 119.54 1ooe h LYS 102 Ca 0.10 -0.21 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1ooe h LYS 102 Cb 0.45 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.62 1ooe h LYS 102 CO 0.02 0.88 -0.80 1.96 -0.57 0.00 0.00 179.45 180.94 1ooe h GLN 103 N 1.00 0.60 0.00 3.15 4.20 -1.04 -3.33 115.11 119.69 1ooe h GLN 103 Ca 0.22 -0.60 -0.45 0.00 0.06 0.00 0.00 58.65 57.89 1ooe h GLN 103 Cb 0.28 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1ooe h GLN 103 CO -0.01 1.21 -2.53 0.43 -0.67 0.00 0.00 178.83 177.26 1ooe n SER 104 N -4.03 1.97 -0.03 1.46 7.64 -0.49 -4.06 113.62 116.07 1ooe n SER 104 Ca -0.10 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 1ooe n SER 104 Cb 0.76 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.70 1.48 -0.41 0.44 2.07 -1.36 -2.53 116.25 115.24 1ooe h VAL 105 Ca -0.67 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 65.37 1ooe h VAL 105 Cb 1.70 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.88 1ooe h VAL 105 CO -0.33 0.41 0.20 -0.50 0.02 0.00 0.00 177.57 177.37 1ooe h TRP 106 N -0.51 0.36 -0.30 1.57 4.06 -1.44 -1.57 115.95 118.12 1ooe h TRP 106 Ca -0.00 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1ooe h TRP 106 Cb 0.70 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 1ooe h TRP 106 CO 0.14 0.18 0.06 0.66 -3.56 0.00 0.00 178.44 175.93 1ooe h SER 107 N 0.40 0.47 -0.89 -3.49 4.64 -1.70 -2.11 113.55 110.87 1ooe h SER 107 Ca 0.18 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ooe h SER 107 Cb 0.09 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 1ooe h SER 107 CO -0.13 0.59 0.54 0.28 -0.87 0.00 0.00 176.83 177.24 1ooe h SER 108 N 0.33 1.07 -0.45 4.97 0.02 -1.25 -0.43 113.55 117.81 1ooe h SER 108 Ca 0.09 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1ooe h SER 108 Cb 0.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1ooe h SER 108 CO 0.00 0.82 -0.28 0.00 -1.14 0.00 0.00 176.83 176.23 1ooe h ALA 109 N 1.36 0.64 -0.18 3.77 0.00 -1.20 -1.54 119.26 122.12 1ooe h ALA 109 Ca 0.32 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1ooe h ALA 109 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ooe h ALA 109 CO -0.06 0.67 -0.44 0.82 0.00 0.00 0.00 179.25 180.24 1ooe h ILE 110 N 0.83 1.31 -0.66 0.00 2.04 -1.04 -0.65 117.51 119.34 1ooe h ILE 110 Ca 0.09 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 1ooe h ILE 110 Cb 0.87 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1ooe h ILE 110 CO 0.08 0.50 0.12 0.00 0.00 0.00 0.00 178.15 178.84 1ooe h ALA 111 N 1.17 0.97 -0.68 1.87 0.00 -0.95 0.51 119.26 122.15 1ooe h ALA 111 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1ooe h ALA 111 Cb 0.92 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ooe h ALA 111 CO 0.08 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.10 1ooe h ALA 112 N 1.11 0.92 -0.61 0.00 0.00 -0.89 -1.48 119.26 118.31 1ooe h ALA 112 Ca 0.20 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ooe h ALA 112 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ooe h ALA 112 CO 0.01 0.67 0.11 -0.22 0.00 0.00 0.00 179.25 179.82 1ooe h LYS 113 N 1.05 0.98 -0.53 0.00 1.63 -0.59 -1.19 116.57 117.92 1ooe h LYS 113 Ca 0.21 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1ooe h LYS 113 Cb 0.44 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1ooe h LYS 113 CO 0.01 0.90 0.15 -0.07 -3.45 0.00 0.00 179.45 176.99 1ooe h LEU 114 N 0.93 0.73 -0.20 5.20 3.38 -0.44 -2.54 115.31 122.37 1ooe h LEU 114 Ca 0.19 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ooe h LEU 114 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ooe h LEU 114 CO 0.01 0.70 -0.20 0.00 0.09 0.00 0.00 178.44 179.04 1ooe h ALA 115 N 1.40 0.29 -0.33 1.53 0.00 -0.57 0.13 119.26 121.70 1ooe h ALA 115 Ca 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ooe h ALA 115 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ooe h ALA 115 CO -0.01 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.69 1ooe h THR 116 N 0.15 1.06 0.08 0.00 1.03 -1.09 -0.45 112.91 113.69 1ooe h THR 116 Ca 0.03 -0.14 -0.31 0.00 -0.01 0.00 0.00 66.41 65.98 1ooe h THR 116 Cb 0.75 0.61 -0.02 0.00 -1.07 0.00 0.00 68.15 68.42 1ooe h THR 116 CO 0.05 0.08 -1.64 0.74 -0.01 0.00 0.00 175.52 174.74 1ooe h THR 117 N 0.42 1.00 0.00 0.00 2.02 -1.33 -3.44 112.91 111.59 1ooe h THR 117 Ca 0.13 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.59 1ooe h THR 117 Cb 0.00 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1ooe h THR 117 CO -0.03 0.76 -0.14 1.41 0.37 0.00 0.00 175.52 177.89 1ooe n HIS 118 N -3.35 0.00 -2.40 3.16 -0.00 0.43 -5.05 115.22 108.01 1ooe n HIS 118 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.12 1ooe n HIS 118 Cb 1.04 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 31.00 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 -1.65 4.46 0.68 2.41 2.96 -0.19 -0.87 118.68 126.48 1ooe s LEU 119 Ca 0.00 2.21 -0.14 0.00 -0.22 0.00 0.00 54.13 55.98 1ooe s LEU 119 Cb 0.00 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1ooe s LEU 119 CO 0.00 -0.34 1.12 -0.54 -1.32 0.00 0.00 176.35 175.26 1ooe s LYS 120 N -0.28 2.64 0.39 1.98 1.02 -0.53 -4.74 119.74 120.21 1ooe s LYS 120 Ca 0.52 1.39 -0.27 0.00 0.02 0.00 0.00 55.97 57.64 1ooe s LYS 120 Cb -0.32 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 1ooe s LYS 120 CO 0.36 -1.38 1.36 -2.14 -0.92 0.00 0.00 175.35 172.63 1ooe s PRO 121 N -4.20 4.04 0.00 -1.68 0.02 -1.26 -1.21 135.00 130.71 1ooe s PRO 121 Ca 0.67 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1ooe s PRO 121 Cb -0.21 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1ooe s PRO 121 CO 0.44 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1ooe n GLY 122 N 0.64 1.14 3.81 0.52 0.00 -0.13 -4.88 105.19 106.29 1ooe n GLY 122 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1ooe n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooe s GLY 123 N -1.98 1.73 -0.06 -0.02 0.00 -0.35 -4.71 107.32 101.93 1ooe s GLY 123 Ca 0.00 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.59 1ooe s GLY 123 CO 0.00 -0.34 -0.25 -2.27 0.00 0.00 0.00 173.10 170.24 1ooe s LEU 124 N -6.32 2.06 -0.16 0.66 2.96 -1.08 -1.58 118.68 115.22 1ooe s LEU 124 Ca 0.74 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1ooe s LEU 124 Cb -0.05 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1ooe s LEU 124 CO 0.54 0.25 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.44 1ooe s LEU 125 N -0.18 2.41 -0.08 -0.68 2.96 -0.10 -1.43 118.68 121.58 1ooe s LEU 125 Ca -0.03 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1ooe s LEU 125 Cb -0.14 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1ooe s LEU 125 CO 0.03 0.07 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.32 1ooe s GLN 126 N 0.92 2.82 0.35 1.98 -0.44 0.04 -1.32 119.66 124.02 1ooe s GLN 126 Ca -0.03 -0.87 0.08 0.00 -2.50 0.00 0.00 55.36 52.03 1ooe s GLN 126 Cb -0.15 -2.27 -0.07 0.00 -1.64 0.00 0.00 33.01 28.88 1ooe s GLN 126 CO -0.02 0.30 -0.04 -0.51 0.50 0.00 0.00 175.29 175.51 1ooe s LEU 127 N 0.06 2.68 -0.21 3.68 1.43 -0.16 -1.17 118.68 125.00 1ooe s LEU 127 Ca -0.10 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.73 1ooe s LEU 127 Cb -0.16 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1ooe s LEU 127 CO 0.06 -0.34 -0.12 -0.89 0.23 0.00 0.00 176.35 175.30 1ooe s THR 128 N -2.77 2.67 0.00 5.49 2.01 -1.18 -1.53 115.64 120.33 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 70.35 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 1.86 3.47 4.40 0.00 0.01 -4.93 105.19 114.69 1ooe n GLY 129 Ca -0.19 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.05 -1.87 0.30 4.61 0.00 -1.26 -4.83 121.76 115.65 1ooe s ALA 130 Ca 0.00 2.06 0.01 0.00 0.00 0.00 0.00 51.96 54.03 1ooe s ALA 130 Cb 0.00 -1.74 0.56 0.00 0.00 0.00 0.00 23.12 21.93 1ooe s ALA 130 CO 0.00 -0.97 1.87 0.00 0.00 0.00 0.00 175.76 176.67 1ooe h ALA 131 N 8.04 1.54 -0.19 0.00 0.00 -1.86 -0.98 119.26 125.81 1ooe h ALA 131 Ca -0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ooe h ALA 131 Cb 1.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ooe h ALA 131 CO 0.13 0.27 0.08 0.00 0.00 0.00 0.00 179.25 179.73 1ooe h ALA 132 N 1.52 1.78 0.00 0.00 0.00 -1.96 -2.09 119.26 118.52 1ooe h ALA 132 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ooe h ALA 132 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ooe h ALA 132 CO -0.20 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1ooe n ALA 133 N -2.50 1.94 1.03 0.00 0.00 -0.37 -2.24 120.51 118.36 1ooe n ALA 133 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1ooe n ALA 133 Cb 0.12 -1.26 0.57 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.19 0.23 -4.16 0.00 0.00 -0.79 -4.80 117.12 106.41 1ooe n MET 134 Ca 0.09 0.07 -0.17 0.00 0.00 0.00 0.00 57.70 57.69 1ooe n MET 134 Cb 0.10 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.77 1ooe n MET 134 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ooe s GLY 135 N -2.71 1.87 0.52 3.03 0.00 -0.95 -5.14 107.32 103.93 1ooe s GLY 135 Ca 0.19 -1.76 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 1ooe s GLY 135 CO 0.38 -1.17 1.39 -1.05 0.00 0.00 0.00 173.10 172.65 1ooe n PRO 136 N -0.62 1.90 -3.18 2.90 -0.02 -1.26 -4.98 135.00 129.74 1ooe n PRO 136 Ca 0.03 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 1ooe n PRO 136 Cb 0.62 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1ooe n PRO 136 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ooe n THR 137 N -0.76 0.68 0.15 3.45 -2.24 -1.26 -4.96 114.28 109.33 1ooe n THR 137 Ca 0.09 -4.70 0.17 0.00 -2.27 0.00 0.00 64.05 57.34 1ooe n THR 137 Cb 0.44 -1.28 0.77 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.48 0.00 -0.00 -0.78 0.13 -1.95 -1.75 132.00 131.13 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 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ooe h PRO 138 CO 0.60 0.00 -0.27 -1.13 -0.23 0.00 0.00 178.00 176.97 1ooe n SER 139 N -3.99 0.47 -2.89 1.44 3.41 -1.26 -3.88 113.62 106.92 1ooe n SER 139 Ca 0.04 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.25 1ooe n SER 139 Cb 0.40 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.24 0.93 -0.22 4.33 0.00 -0.71 -1.11 117.12 119.10 1ooe n MET 140 Ca 0.09 -2.37 -0.03 0.00 0.00 0.00 0.00 57.70 55.39 1ooe n MET 140 Cb 0.32 -1.30 0.08 0.00 0.00 0.00 0.00 33.22 32.32 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 2.42 1.02 -0.53 3.17 2.04 -0.80 -1.83 117.51 123.00 1ooe h ILE 141 Ca -0.04 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1ooe h ILE 141 Cb 1.03 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1ooe h ILE 141 CO 0.29 0.13 0.23 1.23 0.00 0.00 0.00 178.15 180.03 1ooe h GLY 142 N 0.70 0.83 0.99 5.37 0.00 -1.86 -0.99 103.07 108.11 1ooe h GLY 142 Ca 0.27 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ooe h GLY 142 CO -0.14 0.41 0.30 -1.82 0.00 0.00 0.00 176.54 175.29 1ooe h TYR 143 N 0.71 0.73 -0.53 5.60 3.20 -1.71 -1.83 116.97 123.15 1ooe h TYR 143 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ooe h TYR 143 Cb 0.16 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1ooe h TYR 143 CO 0.00 0.53 0.33 0.78 -1.64 0.00 0.00 178.16 178.16 1ooe h GLY 144 N 0.72 0.76 0.96 1.82 0.00 -1.04 -1.25 103.07 105.04 1ooe h GLY 144 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ooe h GLY 144 CO -0.03 0.30 -0.02 -0.33 0.00 0.00 0.00 176.54 176.45 1ooe h MET 145 N 0.72 -0.06 -0.13 4.80 2.86 -0.95 -0.63 114.93 121.52 1ooe h MET 145 Ca 0.19 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1ooe h MET 145 Cb -0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1ooe h MET 145 CO -0.04 0.00 0.05 0.00 1.06 0.00 0.00 176.91 177.99 1ooe h ALA 146 N 0.84 0.15 -0.25 6.32 0.00 -1.22 -1.84 119.26 123.26 1ooe h ALA 146 Ca -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ooe h ALA 146 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ooe h ALA 146 CO 0.01 -0.39 -0.19 0.87 0.00 0.00 0.00 179.25 179.55 1ooe h LYS 147 N 0.13 0.44 -0.26 0.00 1.79 -1.18 -2.26 116.57 115.23 1ooe h LYS 147 Ca 0.06 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1ooe h LYS 147 Cb 0.02 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1ooe h LYS 147 CO -0.05 0.62 -0.08 0.00 -1.08 0.00 0.00 179.45 178.86 1ooe h ALA 148 N 1.40 1.38 -0.50 3.86 0.00 -0.79 -0.83 119.26 123.77 1ooe h ALA 148 Ca 0.07 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1ooe h ALA 148 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ooe h ALA 148 CO 0.04 0.43 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 1ooe h ALA 149 N 1.52 0.91 -0.36 0.00 0.00 -0.78 -1.28 119.26 119.27 1ooe h ALA 149 Ca 0.08 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1ooe h ALA 149 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ooe h ALA 149 CO 0.02 0.63 -0.18 0.28 0.00 0.00 0.00 179.25 180.00 1ooe h VAL 150 N 0.81 1.26 -0.61 0.00 2.07 -0.89 0.74 116.25 119.63 1ooe h VAL 150 Ca 0.14 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 1ooe h VAL 150 Cb 0.60 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1ooe h VAL 150 CO 0.04 0.41 0.04 0.45 0.02 0.00 0.00 177.57 178.53 1ooe h HIS 151 N 0.61 1.14 -0.33 1.57 3.86 -0.77 -1.71 115.15 119.52 1ooe h HIS 151 Ca 0.09 -0.18 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 1ooe h HIS 151 Cb 0.65 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1ooe h HIS 151 CO 0.03 0.99 -0.28 1.25 0.86 0.00 0.00 177.93 180.79 1ooe h HIS 152 N 0.96 0.91 -0.90 2.45 6.17 -0.88 -2.77 115.15 121.08 1ooe h HIS 152 Ca 0.18 -0.26 0.14 0.00 0.71 0.00 0.00 60.37 61.13 1ooe h HIS 152 Cb 0.52 -0.20 -0.09 0.00 2.52 0.00 0.00 27.41 30.16 1ooe h HIS 152 CO 0.04 1.02 0.51 1.25 0.71 0.00 0.00 177.93 181.46 1ooe h LEU 153 N 0.54 0.68 -0.41 0.26 5.85 -0.69 -0.94 115.31 120.62 1ooe h LEU 153 Ca 0.06 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1ooe h LEU 153 Cb 0.85 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1ooe h LEU 153 CO 0.07 0.32 0.20 0.74 -0.34 0.00 0.00 178.44 179.43 1ooe h THR 154 N 0.76 0.96 -0.52 1.05 2.02 -1.04 -0.54 112.91 115.60 1ooe h THR 154 Ca 0.48 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.47 1ooe h THR 154 Cb 0.61 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1ooe h THR 154 CO -0.32 0.07 0.12 0.77 0.37 0.00 0.00 175.52 176.52 1ooe h SER 155 N 0.40 0.75 -0.23 4.18 4.64 -1.00 -2.23 113.55 120.06 1ooe h SER 155 Ca 0.18 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1ooe h SER 155 Cb 0.09 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1ooe h SER 155 CO -0.13 0.75 -0.19 0.28 -0.87 0.00 0.00 176.83 176.67 1ooe h SER 156 N 0.78 0.57 -0.47 4.97 0.02 -0.82 -3.12 113.55 115.47 1ooe h SER 156 Ca 0.17 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1ooe h SER 156 Cb 0.30 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1ooe h SER 156 CO 0.00 0.90 0.19 -0.07 -1.14 0.00 0.00 176.83 176.71 1ooe h LEU 157 N 0.24 0.69 -1.37 5.07 3.38 -0.97 -2.59 115.31 119.76 1ooe h LEU 157 Ca 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ooe h LEU 157 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ooe h LEU 157 CO 0.05 0.64 -0.17 0.00 0.09 0.00 0.00 178.44 179.05 1ooe h ALA 158 N 1.47 1.07 -2.37 1.53 0.00 -1.40 -3.43 119.26 116.13 1ooe h ALA 158 Ca 0.18 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.43 1ooe h ALA 158 Cb 0.18 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.04 1ooe h ALA 158 CO -0.01 0.21 0.36 0.00 0.00 0.00 0.00 179.25 179.81 1ooe s ALA 159 N -3.78 2.53 0.55 0.00 0.00 -0.98 -4.93 121.76 115.15 1ooe s ALA 159 Ca -0.00 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 1ooe s ALA 159 Cb 0.11 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1ooe s ALA 159 CO 0.61 -1.26 1.27 0.15 0.00 0.00 0.00 175.76 176.53 1ooe s LYS 160 N -4.48 3.15 -1.61 0.00 1.02 -1.26 -3.10 119.74 113.45 1ooe s LYS 160 Ca 0.63 2.01 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1ooe s LYS 160 Cb -0.17 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1ooe s LYS 160 CO 0.47 -1.12 0.00 -0.25 -0.92 0.00 0.00 175.35 173.53 1ooe n ASP 161 N -1.18 -4.94 0.21 2.83 8.00 -1.26 -4.88 116.55 115.34 1ooe n ASP 161 Ca 0.11 0.24 0.11 0.00 0.71 0.00 0.00 54.79 55.96 1ooe n ASP 161 Cb 0.47 -3.95 0.24 0.00 -0.02 0.00 0.00 41.12 37.87 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 0.00 0.00 0.00 -2.24 4.64 -1.81 -3.47 113.55 110.67 1ooe h SER 162 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ooe h SER 162 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ooe h SER 162 CO 0.48 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1ooe n GLY 163 N 0.90 2.39 3.76 -0.77 0.00 -1.26 -4.97 105.19 105.23 1ooe n GLY 163 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.47 0.80 0.99 1.43 -1.26 -4.62 118.68 119.49 1ooe s LEU 164 Ca 0.00 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 1ooe s LEU 164 Cb 0.00 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.73 1ooe s LEU 164 CO 0.00 -1.72 1.21 -2.16 0.23 0.00 0.00 176.35 173.91 1ooe s PRO 165 N -3.80 1.64 0.30 1.29 0.04 -1.26 -4.91 135.00 128.30 1ooe s PRO 165 Ca 0.71 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 1ooe s PRO 165 Cb -0.25 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 1ooe s PRO 165 CO 0.39 -2.22 1.36 -0.25 0.04 0.00 0.00 177.00 176.32 1ooe n ASP 166 N -3.27 2.87 -0.43 6.66 8.00 -1.26 -2.19 116.55 126.93 1ooe n ASP 166 Ca 0.14 1.18 -0.06 0.00 0.71 0.00 0.00 54.79 56.76 1ooe n ASP 166 Cb 0.50 -1.48 -0.02 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 1.38 -5.63 -4.89 -2.24 3.02 -1.26 -0.96 115.26 104.67 1ooe n ASN 167 Ca 0.07 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.47 1ooe n ASN 167 Cb 0.35 -3.63 0.06 0.00 -0.61 0.00 0.00 39.78 35.95 1ooe n ASN 167 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ooe s SER 168 N -2.23 5.11 0.06 6.41 1.04 -0.93 -3.40 113.70 119.76 1ooe s SER 168 Ca 0.00 0.96 0.04 0.00 0.48 0.00 0.00 55.95 57.43 1ooe s SER 168 Cb 0.00 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 1ooe s SER 168 CO 0.00 -1.53 -0.12 0.00 0.98 0.00 0.00 173.24 172.57 1ooe s ALA 169 N -3.41 1.00 -0.11 5.32 0.00 -0.62 -4.90 121.76 119.05 1ooe s ALA 169 Ca 0.59 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1ooe s ALA 169 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1ooe s ALA 169 CO 0.50 0.13 -0.20 0.54 0.00 0.00 0.00 175.76 176.73 1ooe s VAL 170 N -1.21 1.79 -0.02 0.00 0.11 -1.26 -0.93 120.40 118.89 1ooe s VAL 170 Ca -0.03 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1ooe s VAL 170 Cb -0.09 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1ooe s VAL 170 CO 0.02 0.50 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.39 1ooe s LEU 171 N 0.65 1.95 -0.16 2.54 1.43 -0.44 0.18 118.68 124.84 1ooe s LEU 171 Ca -0.13 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ooe s LEU 171 Cb -0.16 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1ooe s LEU 171 CO 0.03 0.15 -0.18 -0.89 0.23 0.00 0.00 176.35 175.69 1ooe s THR 172 N -0.14 1.85 0.20 5.49 2.01 -0.80 -0.98 115.64 123.27 1ooe s THR 172 Ca 0.01 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 1ooe s THR 172 Cb -0.08 -1.69 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 1ooe s THR 172 CO 0.00 0.51 0.57 0.27 -0.69 0.00 0.00 174.62 175.28 1ooe s ILE 173 N 1.30 4.86 -0.41 1.82 -4.36 -0.58 -0.24 121.20 123.59 1ooe s ILE 173 Ca 0.03 0.70 0.06 0.00 -0.26 0.00 0.00 60.65 61.18 1ooe s ILE 173 Cb -0.13 -3.68 0.21 0.00 1.25 0.00 0.00 42.46 40.11 1ooe s ILE 173 CO -0.11 0.07 0.43 0.23 0.24 0.00 0.00 174.94 175.80 1ooe n MET 174 N 0.28 0.49 -2.57 0.37 2.81 0.87 -0.81 117.12 118.56 1ooe n MET 174 Ca -0.02 -3.24 -0.41 0.00 -1.81 0.00 0.00 57.70 52.22 1ooe n MET 174 Cb 0.52 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.51 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 -0.58 4.63 -0.01 0.03 0.04 -1.26 -1.66 135.00 136.18 1ooe s PRO 175 Ca 0.34 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1ooe s PRO 175 Cb 0.10 -3.30 -0.19 0.00 0.04 0.00 0.00 34.50 31.14 1ooe s PRO 175 CO -0.15 0.12 1.20 0.28 0.04 0.00 0.00 177.00 178.48 1ooe h VAL 176 N 3.81 1.43 -3.04 -0.36 2.07 -1.82 -3.45 116.25 114.89 1ooe h VAL 176 Ca -0.44 -1.57 -0.26 0.00 0.82 0.00 0.00 66.70 65.26 1ooe h VAL 176 Cb 1.21 2.30 -0.34 0.00 -1.52 0.00 0.00 31.29 32.95 1ooe h VAL 176 CO 0.72 0.44 -0.59 -0.89 0.02 0.00 0.00 177.57 177.28 1ooe s THR 177 N -3.78 -0.26 -0.00 2.57 2.01 -1.26 -5.10 115.64 109.82 1ooe s THR 177 Ca -0.15 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1ooe s THR 177 Cb 0.03 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1ooe s THR 177 CO 0.74 0.12 0.04 -0.76 -0.69 0.00 0.00 174.62 174.08 1ooe s LEU 178 N 2.09 3.72 -0.64 4.42 1.43 -1.26 -0.91 118.68 127.52 1ooe s LEU 178 Ca -0.00 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.90 1ooe s LEU 178 Cb -0.12 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.98 1ooe s LEU 178 CO -0.07 0.27 1.17 -0.62 0.23 0.00 0.00 176.35 177.33 1ooe s ASP 179 N -1.67 6.30 0.21 2.29 2.15 -0.59 -4.83 116.67 120.53 1ooe s ASP 179 Ca 0.21 -0.28 0.06 0.00 0.43 0.00 0.00 52.55 52.98 1ooe s ASP 179 Cb -0.12 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1ooe s ASP 179 CO 0.12 -1.57 -0.10 0.42 -0.17 0.00 0.00 175.17 173.87 1ooe s THR 180 N 5.01 1.50 0.22 1.71 -4.23 -1.26 -4.59 115.64 114.01 1ooe s THR 180 Ca 0.36 -2.14 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1ooe s THR 180 Cb -0.09 -2.12 0.18 0.00 1.34 0.00 0.00 72.50 71.80 1ooe s THR 180 CO 0.19 -0.53 1.85 -0.65 -0.54 0.00 0.00 174.62 174.94 1ooe h PRO 181 N 2.54 0.88 -0.80 3.99 0.11 -1.99 -2.07 132.00 134.66 1ooe h PRO 181 Ca -0.38 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1ooe h PRO 181 Cb 1.22 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1ooe h PRO 181 CO 0.64 0.58 0.38 0.52 -0.21 0.00 0.00 178.00 179.91 1ooe h MET 182 N 0.90 1.14 -0.24 1.05 2.86 -1.98 -1.84 114.93 116.83 1ooe h MET 182 Ca 0.33 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1ooe h MET 182 Cb 0.10 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1ooe h MET 182 CO -0.14 0.88 -0.38 -0.91 1.06 0.00 0.00 176.91 177.42 1ooe h ASN 183 N 1.13 0.56 0.42 1.22 2.35 -1.79 -1.56 115.58 117.91 1ooe h ASN 183 Ca 0.27 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1ooe h ASN 183 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1ooe h ASN 183 CO -0.03 0.89 -0.28 0.03 -1.65 0.00 0.00 177.43 176.38 1ooe h ARG 184 N 0.45 0.00 0.13 0.81 3.08 -0.97 -1.20 114.38 116.67 1ooe h ARG 184 Ca 0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 1ooe h ARG 184 Cb 0.86 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.93 1ooe h ARG 184 CO 0.07 0.28 -0.83 -0.22 -1.07 0.00 0.00 179.97 178.20 1ooe h LYS 185 N 0.00 0.28 0.00 0.04 3.64 -0.90 -3.20 116.57 116.43 1ooe h LYS 185 Ca -0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ooe h LYS 185 Cb 0.56 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1ooe h LYS 185 CO 0.04 1.23 -0.53 -1.49 -2.27 0.00 0.00 179.45 176.42 1ooe h TRP 186 N -0.41 0.00 -2.12 1.91 4.06 -1.30 -3.36 115.95 114.73 1ooe h TRP 186 Ca -0.15 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.26 1ooe h TRP 186 Cb 1.62 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 29.37 1ooe h TRP 186 CO 0.19 0.00 -0.92 -0.12 -3.56 0.00 0.00 178.44 174.03 1ooe n MET 187 N -2.87 1.91 0.20 0.49 1.56 -0.46 -4.97 117.12 112.98 1ooe n MET 187 Ca 0.02 -4.03 0.16 0.00 -0.27 0.00 0.00 57.70 53.58 1ooe n MET 187 Cb 0.54 -1.89 0.80 0.00 2.15 0.00 0.00 33.22 34.82 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 3.25 0.00 -0.32 2.12 0.13 -1.71 -2.91 132.00 132.56 1ooe h PRO 188 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ooe h PRO 188 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1ooe h PRO 188 CO 0.65 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 1ooe n ASN 189 N -3.97 3.99 -4.81 1.44 3.02 -1.26 -5.01 115.26 108.67 1ooe n ASN 189 Ca 0.01 -2.86 -0.32 0.00 -0.03 0.00 0.00 54.58 51.38 1ooe n ASN 189 Cb 0.30 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.56 2.71 -0.43 5.41 0.00 -1.10 -4.98 121.76 120.80 1ooe s ALA 190 Ca 0.41 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 1ooe s ALA 190 Cb 0.32 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 20.25 1ooe s ALA 190 CO 0.11 -0.97 0.88 0.34 0.00 0.00 0.00 175.76 176.12 1ooe s ASP 191 N -3.15 6.52 0.00 0.00 2.15 -1.26 -4.92 116.67 116.01 1ooe s ASP 191 Ca 0.62 0.18 0.17 0.00 0.43 0.00 0.00 52.55 53.94 1ooe s ASP 191 Cb -0.15 -2.43 0.96 0.00 -0.30 0.00 0.00 42.92 41.00 1ooe s ASP 191 CO 0.44 -0.95 1.44 1.41 -0.17 0.00 0.00 175.17 177.33 1ooe n HIS 192 N 6.92 0.00 0.56 -5.34 8.25 -1.26 -2.83 115.22 121.52 1ooe n HIS 192 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1ooe n HIS 192 Cb 0.48 -0.08 0.32 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.08 0.00 -0.35 0.41 3.41 -1.26 -1.61 113.62 113.14 1ooe n SER 193 Ca 0.11 0.31 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 1ooe n SER 193 Cb 0.08 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.40 2.64 -4.62 4.04 3.41 -1.13 -1.24 113.62 115.32 1ooe n SER 194 Ca 0.05 -2.36 -0.35 0.00 -0.26 0.00 0.00 58.87 55.95 1ooe n SER 194 Cb 0.14 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.64 3.25 -0.16 7.33 0.52 -0.64 -4.33 118.94 123.27 1ooe s TRP 195 Ca 0.19 0.05 -0.29 0.00 0.02 0.00 0.00 56.10 56.07 1ooe s TRP 195 Cb 0.14 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.35 1ooe s TRP 195 CO 0.07 0.10 1.02 0.99 0.02 0.00 0.00 176.95 179.15 1ooe s THR 196 N 0.54 4.73 0.34 2.01 2.01 -0.09 -4.81 115.64 120.38 1ooe s THR 196 Ca 0.04 2.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.80 1ooe s THR 196 Cb -0.13 -4.31 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 1ooe s THR 196 CO 0.01 -0.08 1.21 -2.16 -0.69 0.00 0.00 174.62 172.91 1ooe s PRO 197 N 2.57 4.34 0.46 4.92 0.04 -1.26 -1.55 135.00 144.52 1ooe s PRO 197 Ca 0.46 2.00 0.13 0.00 0.04 0.00 0.00 61.00 63.64 1ooe s PRO 197 Cb -0.17 -2.99 1.07 0.00 0.04 0.00 0.00 34.50 32.45 1ooe s PRO 197 CO 0.12 -0.12 2.04 -0.07 0.04 0.00 0.00 177.00 179.02 1ooe h LEU 198 N 3.28 0.28 -1.63 -3.56 3.38 -1.96 -1.45 115.31 113.66 1ooe h LEU 198 Ca -0.48 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1ooe h LEU 198 Cb 1.23 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1ooe h LEU 198 CO 0.65 0.19 0.33 0.77 0.09 0.00 0.00 178.44 180.47 1ooe h SER 199 N 0.32 0.40 -0.81 -0.43 4.64 -1.97 -1.43 113.55 114.28 1ooe h SER 199 Ca 0.17 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1ooe h SER 199 Cb 0.28 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1ooe h SER 199 CO -0.04 0.27 0.51 0.15 -0.87 0.00 0.00 176.83 176.85 1ooe h PHE 200 N 0.46 0.96 -0.05 4.77 3.57 -1.64 0.14 116.94 125.15 1ooe h PHE 200 Ca 0.21 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1ooe h PHE 200 Cb 0.25 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1ooe h PHE 200 CO -0.00 0.54 -0.12 0.82 -2.23 0.00 0.00 178.31 177.32 1ooe h ILE 201 N 0.99 1.43 -0.61 1.41 2.04 -1.39 -2.55 117.51 118.83 1ooe h ILE 201 Ca 0.33 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.77 1ooe h ILE 201 Cb 0.04 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1ooe h ILE 201 CO -0.12 0.40 0.35 0.77 0.00 0.00 0.00 178.15 179.55 1ooe h SER 202 N -0.34 0.53 -0.76 1.72 4.64 -1.13 -0.78 113.55 117.43 1ooe h SER 202 Ca -0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1ooe h SER 202 Cb 0.71 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 1ooe h SER 202 CO 0.03 0.36 0.39 -0.33 -0.87 0.00 0.00 176.83 176.41 1ooe h GLU 203 N 0.66 1.08 -0.22 4.77 5.08 -0.77 -2.12 114.58 123.07 1ooe h GLU 203 Ca 0.26 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 1ooe h GLU 203 Cb 0.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1ooe h GLU 203 CO -0.14 0.82 -0.42 0.45 -1.00 0.00 0.00 179.01 178.72 1ooe h HIS 204 N 1.06 0.61 -0.62 4.33 3.86 -1.00 -1.97 115.15 121.42 1ooe h HIS 204 Ca 0.26 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1ooe h HIS 204 Cb 0.08 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1ooe h HIS 204 CO 0.01 0.85 0.18 -0.07 0.86 0.00 0.00 177.93 179.76 1ooe h LEU 205 N 0.42 0.92 -0.56 2.43 3.38 -0.84 0.64 115.31 121.70 1ooe h LEU 205 Ca 0.03 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1ooe h LEU 205 Cb 0.91 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ooe h LEU 205 CO 0.08 0.89 0.08 0.25 0.09 0.00 0.00 178.44 179.83 1ooe h LEU 206 N 0.90 0.89 -0.15 1.67 5.85 -1.28 -0.73 115.31 122.47 1ooe h LEU 206 Ca 0.20 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1ooe h LEU 206 Cb 0.31 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1ooe h LEU 206 CO -0.00 0.93 0.07 0.50 -0.34 0.00 0.00 178.44 179.60 1ooe h LYS 207 N 0.82 0.22 0.00 1.25 3.64 -1.06 -1.70 116.57 119.74 1ooe h LYS 207 Ca 0.17 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1ooe h LYS 207 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ooe h LYS 207 CO 0.01 0.27 -0.24 -1.49 -2.27 0.00 0.00 179.45 175.73 1ooe h TRP 208 N 0.11 0.00 -0.08 1.91 6.55 -0.77 0.17 115.95 123.85 1ooe h TRP 208 Ca 0.05 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.66 1ooe h TRP 208 Cb 0.13 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.44 1ooe h TRP 208 CO -0.03 0.24 -0.87 1.15 -1.05 0.00 0.00 178.44 177.89 1ooe h THR 209 N 0.00 1.31 0.00 1.49 2.02 -0.80 -3.35 112.91 113.58 1ooe h THR 209 Ca -0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1ooe h THR 209 Cb 0.47 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1ooe h THR 209 CO 0.03 0.66 -1.43 0.35 0.37 0.00 0.00 175.52 175.50 1ooe n THR 210 N -3.87 0.33 -3.79 3.16 -2.24 -0.67 -4.77 114.28 102.44 1ooe n THR 210 Ca -0.08 -0.51 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 1ooe n THR 210 Cb 0.79 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 1ooe n THR 210 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ooe s GLU 211 N -3.42 1.10 0.43 -0.78 2.02 0.58 -4.99 118.70 113.65 1ooe s GLU 211 Ca -0.04 -1.61 0.11 0.00 0.02 0.00 0.00 54.97 53.45 1ooe s GLU 211 Cb 0.12 -2.39 0.97 0.00 0.10 0.00 0.00 34.13 32.93 1ooe s GLU 211 CO 0.84 -1.04 2.03 1.79 0.02 0.00 0.00 175.26 178.90 1ooe h THR 212 N 6.03 1.00 0.00 3.63 1.35 -1.82 -1.57 112.91 121.53 1ooe h THR 212 Ca -0.07 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1ooe h THR 212 Cb 0.98 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1ooe h THR 212 CO 0.49 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 1ooe n SER 213 N -4.48 0.54 -0.21 5.36 3.41 -1.26 -2.05 113.62 114.93 1ooe n SER 213 Ca 0.06 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1ooe n SER 213 Cb 0.20 -0.75 0.46 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.10 0.85 -4.76 4.04 3.41 -0.59 -4.94 113.62 109.52 1ooe n SER 214 Ca 0.02 -0.80 -0.39 0.00 -0.26 0.00 0.00 58.87 57.45 1ooe n SER 214 Cb 0.20 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.48 4.72 1.08 4.33 0.52 -0.87 -4.91 118.95 121.34 1ooe s ARG 215 Ca 0.26 1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 56.75 1ooe s ARG 215 Cb 0.20 -3.07 0.24 0.00 0.52 0.00 0.00 34.95 32.83 1ooe s ARG 215 CO 0.50 0.39 1.17 -2.14 0.02 0.00 0.00 175.30 175.24 1ooe s PRO 216 N -1.57 -0.29 0.42 3.54 0.02 -1.26 -4.93 135.00 130.93 1ooe s PRO 216 Ca 0.45 -0.07 -0.26 0.00 0.02 0.00 0.00 61.00 61.14 1ooe s PRO 216 Cb -0.23 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 1ooe s PRO 216 CO 0.29 -3.09 1.44 0.43 -0.33 0.00 0.00 177.00 175.74 1ooe n SER 217 N -4.32 3.44 -4.75 2.53 7.64 -1.26 -4.91 113.62 111.99 1ooe n SER 217 Ca 0.12 1.16 -0.41 0.00 1.01 0.00 0.00 58.87 60.75 1ooe n SER 217 Cb 0.59 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.17 1ooe n SER 217 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ooe s SER 218 N -0.34 6.50 0.00 6.43 0.15 -1.26 -2.03 113.70 123.16 1ooe s SER 218 Ca 0.58 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.05 1ooe s SER 218 Cb -0.47 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 1ooe s SER 218 CO 0.60 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ooe n GLY 219 N 2.18 0.56 3.77 9.45 0.00 0.13 -4.91 105.19 116.38 1ooe n GLY 219 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 3.42 -0.39 4.61 0.00 -0.86 -4.66 121.76 121.59 1ooe s ALA 220 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1ooe s ALA 220 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1ooe s ALA 220 CO 0.00 -0.87 0.23 -0.51 0.00 0.00 0.00 175.76 174.60 1ooe s LEU 221 N -2.17 4.86 -0.53 0.00 1.43 -1.26 -1.91 118.68 119.10 1ooe s LEU 221 Ca 0.54 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 1ooe s LEU 221 Cb -0.42 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 43.88 1ooe s LEU 221 CO 0.55 -0.43 0.53 -0.76 0.23 0.00 0.00 176.35 176.46 1ooe s LEU 222 N 1.54 5.74 0.04 1.79 1.43 0.67 -1.07 118.68 128.81 1ooe s LEU 222 Ca 0.02 -1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 51.33 1ooe s LEU 222 Cb -0.20 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1ooe s LEU 222 CO 0.06 -0.85 1.03 -0.75 0.23 0.00 0.00 176.35 176.07 1ooe s LYS 223 N 1.94 4.55 -0.18 1.70 2.20 -0.71 -0.09 119.74 129.16 1ooe s LYS 223 Ca 0.06 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 1ooe s LYS 223 Cb -0.26 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1ooe s LYS 223 CO 0.06 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.24 1ooe s ILE 224 N 0.82 2.34 0.11 5.43 1.01 -0.67 -0.74 121.20 129.49 1ooe s ILE 224 Ca 0.53 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1ooe s ILE 224 Cb -0.24 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1ooe s ILE 224 CO 0.29 0.52 -0.17 0.42 0.00 0.00 0.00 174.94 176.00 1ooe s THR 225 N 1.19 1.46 -0.05 2.92 -4.23 -0.71 -2.07 115.64 114.15 1ooe s THR 225 Ca 0.02 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1ooe s THR 225 Cb -0.14 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.23 1ooe s THR 225 CO -0.08 -0.26 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.72 1ooe s THR 226 N -1.66 1.09 -0.08 3.99 2.01 -1.26 0.26 115.64 119.99 1ooe s THR 226 Ca 0.07 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 1ooe s THR 226 Cb -0.08 -0.97 0.04 0.00 0.01 0.00 0.00 72.50 71.51 1ooe s THR 226 CO 0.04 0.33 0.17 -0.70 -0.69 0.00 0.00 174.62 173.77 1ooe s GLU 227 N 0.34 0.11 -1.83 4.92 2.12 0.22 -4.17 118.70 120.40 1ooe s GLU 227 Ca -0.08 0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1ooe s GLU 227 Cb -0.12 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.09 1ooe s GLU 227 CO 0.02 -0.19 0.00 0.09 -0.54 0.00 0.00 175.26 174.64 1ooe n ASN 228 N 4.38 -5.71 0.00 -1.70 5.03 -0.70 -1.56 115.26 114.99 1ooe n ASN 228 Ca -0.23 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1ooe n ASN 228 Cb 0.52 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 1ooe n ASN 228 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ooe n GLY 229 N -0.90 1.53 3.69 7.41 0.00 -0.37 -5.04 105.19 111.51 1ooe n GLY 229 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.68 4.99 -0.08 2.61 2.01 -0.60 -5.07 115.64 116.81 1ooe s THR 230 Ca 0.00 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 1ooe s THR 230 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1ooe s THR 230 CO 0.00 0.48 0.20 -0.44 -0.69 0.00 0.00 174.62 174.17 1ooe s SER 231 N 0.15 6.46 -0.01 3.53 0.01 -1.26 -0.61 113.70 121.97 1ooe s SER 231 Ca 0.06 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.91 1ooe s SER 231 Cb -0.12 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 1ooe s SER 231 CO 0.00 0.37 -0.13 -0.89 0.41 0.00 0.00 173.24 173.00 1ooe s THR 232 N -1.09 1.05 -0.22 1.44 2.01 0.14 -4.98 115.64 113.99 1ooe s THR 232 Ca 0.19 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 1ooe s THR 232 Cb -0.13 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1ooe s THR 232 CO 0.08 0.30 0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 1ooe s ILE 233 N -0.24 4.04 -0.24 1.82 1.01 -1.26 -1.74 121.20 124.59 1ooe s ILE 233 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1ooe s ILE 233 Cb -0.06 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.61 1ooe s ILE 233 CO -0.00 0.39 -0.05 -0.89 0.00 0.00 0.00 174.94 174.38 1ooe s THR 234 N 1.34 1.63 0.41 2.92 2.01 0.08 -4.96 115.64 119.07 1ooe s THR 234 Ca 0.04 -1.32 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 1ooe s THR 234 Cb -0.15 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1ooe s THR 234 CO 0.02 -0.12 1.30 -2.84 -0.69 0.00 0.00 174.62 172.29 1ooe s PRO 235 N 1.34 3.92 0.00 4.92 0.02 -1.26 -1.74 135.00 142.20 1ooe s PRO 235 Ca -0.05 2.14 0.29 0.00 0.02 0.00 0.00 61.00 63.40 1ooe s PRO 235 Cb -0.19 -2.72 1.23 0.00 0.02 0.00 0.00 34.50 32.84 1ooe s PRO 235 CO -0.06 -0.53 1.84 1.04 -0.33 0.00 0.00 177.00 178.96