#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43c9 n GLN 1 N 0.00 0.00 -4.25 1.61 7.27 -1.26 -4.72 117.38 116.03 43c9 n GLN 1 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 43c9 n GLN 1 Cb 0.00 -0.11 -0.14 0.00 2.41 0.00 0.00 30.24 32.39 43c9 n GLN 1 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 43c9 s VAL 2 N 0.00 3.10 0.03 1.69 1.01 -1.26 -4.18 120.40 120.79 43c9 s VAL 2 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.41 43c9 s VAL 2 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 43c9 s VAL 2 CO 0.00 0.48 -0.10 -1.10 0.00 0.00 0.00 175.10 174.38 43c9 s GLN 3 N 1.03 0.66 -0.25 2.72 -1.52 -1.13 -4.98 119.66 116.19 43c9 s GLN 3 Ca -0.00 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 52.85 43c9 s GLN 3 Cb -0.15 -0.59 0.06 0.00 -0.22 0.00 0.00 33.01 32.12 43c9 s GLN 3 CO -0.01 0.14 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.56 43c9 s LEU 4 N -0.96 3.26 -0.26 2.90 1.02 -1.26 -1.32 118.68 122.06 43c9 s LEU 4 Ca -0.02 -1.35 -0.02 0.00 0.02 0.00 0.00 54.13 52.76 43c9 s LEU 4 Cb -0.07 -1.47 0.03 0.00 0.02 0.00 0.00 46.19 44.70 43c9 s LEU 4 CO 0.00 -0.20 -0.04 -0.69 0.02 0.00 0.00 176.35 175.44 43c9 s VAL 5 N 1.16 2.94 -0.06 -1.59 1.01 0.45 -2.96 120.40 121.35 43c9 s VAL 5 Ca -0.08 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 43c9 s VAL 5 Cb -0.20 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 43c9 s VAL 5 CO -0.05 0.14 0.29 -1.83 0.00 0.00 0.00 175.10 173.64 43c9 s GLU 6 N 1.32 3.73 -0.09 2.72 1.03 -1.26 -0.34 118.70 125.81 43c9 s GLU 6 Ca -0.01 0.16 0.01 0.00 0.03 0.00 0.00 54.97 55.17 43c9 s GLU 6 Cb -0.17 -3.22 0.02 0.00 -0.80 0.00 0.00 34.13 29.96 43c9 s GLU 6 CO -0.04 0.71 -0.12 -1.54 -1.33 0.00 0.00 175.26 172.95 43c9 s SER 7 N -0.98 2.03 0.00 0.83 1.04 0.13 -4.72 113.70 112.03 43c9 s SER 7 Ca 0.20 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.30 43c9 s SER 7 Cb -0.14 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.09 43c9 s SER 7 CO 0.09 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.90 43c9 n GLY 8 N 4.22 5.14 0.04 7.32 0.00 -1.26 -1.63 105.19 119.02 43c9 n GLY 8 Ca -0.19 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.14 43c9 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 43c9 n PRO 9 N 0.00 0.16 0.00 1.61 -0.04 -1.26 -5.02 135.00 130.46 43c9 n PRO 9 Ca 0.00 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 43c9 n PRO 9 Cb 0.00 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 43c9 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 43c9 n GLY 10 N 1.40 1.69 3.86 0.55 0.00 -1.23 -4.72 105.19 106.74 43c9 n GLY 10 Ca 0.05 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 43c9 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43c9 s LEU 11 N 0.00 4.43 -0.05 0.99 1.02 -1.26 0.05 118.68 123.86 43c9 s LEU 11 Ca 0.00 0.69 -0.06 0.00 0.02 0.00 0.00 54.13 54.78 43c9 s LEU 11 Cb 0.00 -2.34 0.01 0.00 0.02 0.00 0.00 46.19 43.88 43c9 s LEU 11 CO 0.00 0.36 0.16 -0.69 0.02 0.00 0.00 176.35 176.20 43c9 s VAL 12 N -1.07 0.02 0.45 -1.59 1.01 -0.25 -4.94 120.40 114.02 43c9 s VAL 12 Ca 0.20 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 43c9 s VAL 12 Cb -0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 43c9 s VAL 12 CO 0.09 -0.07 1.12 0.00 0.00 0.00 0.00 175.10 176.24 43c9 s ALA 13 N -0.18 2.97 1.16 5.51 0.00 -1.25 -0.87 121.76 129.10 43c9 s ALA 13 Ca -0.03 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 43c9 s ALA 13 Cb -0.02 -3.34 0.27 0.00 0.00 0.00 0.00 23.12 20.03 43c9 s ALA 13 CO 0.00 -0.51 1.04 -2.14 0.00 0.00 0.00 175.76 174.16 43c9 s PRO 14 N -2.75 -0.89 0.00 0.00 0.02 -1.26 -3.52 135.00 126.60 43c9 s PRO 14 Ca 0.63 0.55 0.00 0.00 0.02 0.00 0.00 61.00 62.20 43c9 s PRO 14 Cb -0.25 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.69 43c9 s PRO 14 CO 0.30 -3.63 0.00 -1.13 -0.33 0.00 0.00 177.00 172.22 43c9 n SER 15 N -4.81 -1.30 -4.94 2.53 3.41 -0.04 -4.86 113.62 103.62 43c9 n SER 15 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.42 43c9 n SER 15 Cb 0.56 -1.18 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 43c9 n SER 15 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 43c9 s GLN 16 N -0.48 3.22 -0.11 4.33 2.00 -1.23 -4.45 119.66 122.95 43c9 s GLN 16 Ca 0.00 -0.26 -0.08 0.00 -2.00 0.00 0.00 55.36 53.03 43c9 s GLN 16 Cb 0.00 -2.50 -0.04 0.00 0.80 0.00 0.00 33.01 31.26 43c9 s GLN 16 CO 0.00 -0.23 0.17 -1.54 -0.50 0.00 0.00 175.29 173.18 43c9 s SER 17 N -4.17 6.43 0.32 6.67 1.04 -1.26 -3.34 113.70 119.39 43c9 s SER 17 Ca 0.47 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 57.29 43c9 s SER 17 Cb -0.10 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.85 43c9 s SER 17 CO 0.40 0.40 0.70 -0.22 0.98 0.00 0.00 173.24 175.50 43c9 s LEU 18 N -1.06 4.04 -0.14 2.42 2.96 0.39 -4.96 118.68 122.32 43c9 s LEU 18 Ca 0.16 1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 55.16 43c9 s LEU 18 Cb -0.12 -3.97 0.06 0.00 0.50 0.00 0.00 46.19 42.65 43c9 s LEU 18 CO 0.05 -0.22 0.33 -0.44 -1.32 0.00 0.00 176.35 174.75 43c9 s SER 19 N -2.49 -0.31 0.03 3.68 0.01 -1.26 -2.31 113.70 111.06 43c9 s SER 19 Ca 0.52 0.72 0.02 0.00 1.31 0.00 0.00 55.95 58.52 43c9 s SER 19 Cb -0.10 0.65 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 43c9 s SER 19 CO 0.21 -0.19 -0.07 -0.63 0.41 0.00 0.00 173.24 172.97 43c9 s ILE 20 N 1.52 0.54 -0.09 1.44 1.01 -0.44 -4.33 121.20 120.84 43c9 s ILE 20 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.71 43c9 s ILE 20 Cb -0.10 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.82 43c9 s ILE 20 CO -0.11 -0.25 -0.13 -0.89 0.00 0.00 0.00 174.94 173.57 43c9 s THR 21 N -1.06 1.26 -0.27 2.92 2.01 -0.65 -2.04 115.64 117.82 43c9 s THR 21 Ca -0.07 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 43c9 s THR 21 Cb -0.08 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 43c9 s THR 21 CO 0.00 0.39 0.34 0.00 -0.69 0.00 0.00 174.62 174.67 43c9 s THR 23 N 2.02 4.44 -0.01 0.00 2.01 0.54 -1.49 115.64 123.13 43c9 s THR 23 Ca 0.14 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 43c9 s THR 23 Cb -0.16 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 43c9 s THR 23 CO 0.10 0.35 0.08 -0.69 -0.69 0.00 0.00 174.62 173.77 43c9 s VAL 24 N 1.48 4.76 0.01 3.82 1.01 0.12 -0.41 120.40 131.19 43c9 s VAL 24 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.67 43c9 s VAL 24 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 43c9 s VAL 24 CO 0.04 0.37 -0.03 -0.94 0.00 0.00 0.00 175.10 174.54 43c9 s SER 25 N -1.68 0.30 0.00 3.32 1.04 -0.44 -4.77 113.70 111.47 43c9 s SER 25 Ca 0.22 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.37 43c9 s SER 25 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 43c9 s SER 25 CO 0.13 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.82 43c9 n GLY 26 N 2.25 1.46 3.17 7.32 0.00 -1.26 -2.83 105.19 115.30 43c9 n GLY 26 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 43c9 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 43c9 s ILE 27 N -3.36 0.08 -0.25 -0.61 -4.36 -1.26 -4.89 121.20 106.54 43c9 s ILE 27 Ca 0.00 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.37 43c9 s ILE 27 Cb 0.00 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 43c9 s ILE 27 CO 0.00 -0.35 0.17 -0.55 0.24 0.00 0.00 174.94 174.44 43c9 s SER 28 N -3.07 6.06 0.59 4.36 0.15 -1.26 -4.98 113.70 115.55 43c9 s SER 28 Ca 0.27 0.07 0.33 0.00 0.70 0.00 0.00 55.95 57.32 43c9 s SER 28 Cb 0.07 -2.11 1.87 0.00 -1.71 0.00 0.00 66.02 64.14 43c9 s SER 28 CO 0.04 0.03 2.23 -0.07 1.20 0.00 0.00 173.24 176.66 43c9 h LEU 29 N 7.80 0.00 -0.81 3.45 3.38 -1.89 -1.67 115.31 125.57 43c9 h LEU 29 Ca -0.37 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 43c9 h LEU 29 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 43c9 h LEU 29 CO 0.62 0.03 -0.37 0.28 0.09 0.00 0.00 178.44 179.09 43c9 h SER 30 N 0.00 0.46 -0.53 -0.43 0.02 -1.94 -3.12 113.55 108.00 43c9 h SER 30 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 43c9 h SER 30 Cb 0.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.53 43c9 h SER 30 CO 0.00 0.80 0.00 0.54 -1.14 0.00 0.00 176.83 177.03 43c9 n ARG 31 N -4.05 2.44 -3.95 3.45 1.74 -0.64 -4.18 116.66 111.47 43c9 n ARG 31 Ca -0.01 -1.99 -0.10 0.00 -0.77 0.00 0.00 57.85 54.97 43c9 n ARG 31 Cb 0.48 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 43c9 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 43c9 s TYR 32 N -1.39 0.20 -0.21 -1.55 1.51 -1.17 -4.47 117.35 110.27 43c9 s TYR 32 Ca 0.37 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.95 43c9 s TYR 32 Cb 0.20 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.87 43c9 s TYR 32 CO 0.23 -0.16 0.09 -0.80 -1.11 0.00 0.00 175.55 173.80 43c9 s ASN 33 N -1.18 5.66 -0.17 2.29 0.01 0.66 -3.07 114.94 119.15 43c9 s ASN 33 Ca -0.13 0.03 -0.02 0.00 -0.71 0.00 0.00 52.86 52.03 43c9 s ASN 33 Cb -0.08 -1.99 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 43c9 s ASN 33 CO -0.01 0.10 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.91 43c9 s VAL 34 N 0.81 3.29 0.21 1.60 1.01 -0.88 -0.62 120.40 125.82 43c9 s VAL 34 Ca 0.05 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.54 43c9 s VAL 34 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 43c9 s VAL 34 CO 0.02 0.48 0.14 -1.00 0.00 0.00 0.00 175.10 174.75 43c9 s HIS 35 N 0.77 3.08 -0.09 5.22 3.76 0.75 -1.08 115.29 127.70 43c9 s HIS 35 Ca -0.03 -0.08 0.04 0.00 -0.15 0.00 0.00 55.06 54.83 43c9 s HIS 35 Cb -0.15 -1.43 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 43c9 s HIS 35 CO 0.02 0.53 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.64 43c9 s TRP 36 N -1.97 2.60 0.07 1.40 0.52 -0.39 -1.14 118.94 120.03 43c9 s TRP 36 Ca 0.32 -0.82 -0.06 0.00 0.02 0.00 0.00 56.10 55.56 43c9 s TRP 36 Cb -0.09 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 43c9 s TRP 36 CO 0.23 -0.28 0.12 0.08 0.02 0.00 0.00 176.95 177.12 43c9 s VAL 37 N 0.15 0.16 0.04 4.03 1.01 -0.46 -0.27 120.40 125.07 43c9 s VAL 37 Ca -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 60.53 43c9 s VAL 37 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 43c9 s VAL 37 CO 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 175.10 174.43 43c9 s ARG 38 N -3.64 0.56 -0.04 2.72 1.70 -0.55 -0.79 118.95 118.91 43c9 s ARG 38 Ca 0.04 -1.03 -0.04 0.00 -0.47 0.00 0.00 55.73 54.23 43c9 s ARG 38 Cb 0.05 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.63 43c9 s ARG 38 CO -0.10 -0.11 0.10 -1.14 -1.08 0.00 0.00 175.30 172.98 43c9 s GLN 39 N -3.27 0.13 0.07 3.89 0.74 0.89 -1.32 119.66 120.80 43c9 s GLN 39 Ca 0.01 0.12 -0.10 0.00 0.05 0.00 0.00 55.36 55.44 43c9 s GLN 39 Cb 0.03 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.21 43c9 s GLN 39 CO -0.08 -0.02 0.22 -1.54 -0.55 0.00 0.00 175.29 173.32 43c9 s SER 40 N -0.01 0.05 0.27 6.67 1.04 -0.89 -0.95 113.70 119.89 43c9 s SER 40 Ca -0.01 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.91 43c9 s SER 40 Cb -0.01 0.33 0.38 0.00 0.10 0.00 0.00 66.02 66.83 43c9 s SER 40 CO 0.00 -0.68 1.79 -0.65 0.98 0.00 0.00 173.24 174.68 43c9 h PRO 41 N 2.98 0.76 0.00 4.02 0.11 -1.95 0.37 132.00 138.29 43c9 h PRO 41 Ca -0.33 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 43c9 h PRO 41 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 43c9 h PRO 41 CO 0.52 0.76 -0.06 0.78 -0.21 0.00 0.00 178.00 179.79 43c9 h GLY 42 N 0.96 0.04 1.35 -0.55 0.00 -1.98 -3.36 103.07 99.53 43c9 h GLY 42 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 43c9 h GLY 42 CO 0.01 0.07 -0.57 0.50 0.00 0.00 0.00 176.54 176.55 43c9 h LYS 43 N -0.79 0.00 0.00 4.80 1.57 -1.97 -3.50 116.57 116.68 43c9 h LYS 43 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 43c9 h LYS 43 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 43c9 h LYS 43 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 43c9 n GLY 44 N 1.24 -0.10 3.76 3.86 0.00 0.12 -4.78 105.19 109.29 43c9 n GLY 44 Ca 0.03 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 43c9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43c9 s LEU 45 N 0.00 4.38 -0.04 0.99 1.43 -1.26 -2.09 118.68 122.09 43c9 s LEU 45 Ca 0.00 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 43c9 s LEU 45 Cb 0.00 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.47 43c9 s LEU 45 CO 0.00 0.12 -0.01 -1.61 0.23 0.00 0.00 176.35 175.07 43c9 s GLU 46 N -0.11 0.53 -0.07 1.70 2.02 -0.43 -4.99 118.70 117.35 43c9 s GLU 46 Ca 0.28 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.00 43c9 s GLU 46 Cb -0.17 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 43c9 s GLU 46 CO 0.14 -0.16 0.99 -0.46 0.02 0.00 0.00 175.26 175.79 43c9 s TRP 47 N 1.25 3.56 -0.22 1.61 -0.00 -1.26 -1.48 118.94 122.39 43c9 s TRP 47 Ca -0.06 1.62 0.09 0.00 -0.00 0.00 0.00 56.10 57.75 43c9 s TRP 47 Cb -0.13 -3.16 -0.21 0.00 -0.00 0.00 0.00 33.47 29.97 43c9 s TRP 47 CO -0.02 -0.15 -0.05 1.28 -0.00 0.00 0.00 176.95 178.01 43c9 n LEU 48 N 4.61 1.60 0.00 5.86 4.77 0.63 -4.68 117.00 129.79 43c9 n LEU 48 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 43c9 n LEU 48 Cb 0.50 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 43c9 n LEU 48 CO 0.52 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 43c9 n GLY 49 N 2.01 -1.36 3.57 -0.72 0.00 -1.12 -2.27 105.19 105.29 43c9 n GLY 49 Ca -0.39 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 43c9 n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 43c9 s MET 50 N -1.24 0.54 -0.14 1.61 0.23 -0.24 -1.27 119.30 118.79 43c9 s MET 50 Ca 0.00 -0.05 -0.00 0.00 -1.03 0.00 0.00 55.69 54.61 43c9 s MET 50 Cb 0.00 0.25 0.03 0.00 -1.53 0.00 0.00 34.83 33.58 43c9 s MET 50 CO 0.00 -0.21 -0.10 -1.50 -2.03 0.00 0.00 175.02 171.19 43c9 s ILE 51 N -1.96 1.24 0.77 3.16 2.07 -0.24 -1.01 121.20 125.22 43c9 s ILE 51 Ca 0.04 -0.47 -0.11 0.00 -1.41 0.00 0.00 60.65 58.69 43c9 s ILE 51 Cb -0.01 -1.24 0.05 0.00 0.13 0.00 0.00 42.46 41.39 43c9 s ILE 51 CO -0.04 0.36 1.10 0.26 -1.91 0.00 0.00 174.94 174.71 43c9 s TRP 52 N 1.61 2.54 0.26 3.50 0.52 0.79 -2.08 118.94 126.08 43c9 s TRP 52 Ca 0.04 1.57 -0.05 0.00 0.02 0.00 0.00 56.10 57.68 43c9 s TRP 52 Cb -0.13 -3.08 0.50 0.00 -1.15 0.00 0.00 33.47 29.61 43c9 s TRP 52 CO -0.09 -1.84 1.64 0.78 0.02 0.00 0.00 176.95 177.46 43c9 h GLY 53 N -1.03 0.95 -7.73 0.98 0.00 -1.74 -2.79 103.07 91.71 43c9 h GLY 53 Ca -0.44 0.08 -0.78 0.00 0.00 0.00 0.00 47.33 46.20 43c9 h GLY 53 CO 0.51 -0.31 0.31 -0.32 0.00 0.00 0.00 176.54 176.73 43c9 s GLY 54 N -3.77 2.69 0.00 4.60 0.00 -1.26 -4.45 107.32 105.13 43c9 s GLY 54 Ca -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 44.72 41.22 43c9 s GLY 54 CO 0.76 1.39 0.00 0.61 0.00 0.00 0.00 173.10 175.86 43c9 n GLY 55 N 3.89 0.00 3.50 0.20 0.00 -1.05 -4.92 105.19 106.81 43c9 n GLY 55 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.65 43c9 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 43c9 n SER 56 N 0.00 0.09 -4.19 1.61 7.64 -1.26 -4.53 113.62 112.97 43c9 n SER 56 Ca 0.00 1.15 -0.28 0.00 1.01 0.00 0.00 58.87 60.74 43c9 n SER 56 Cb 0.00 -0.98 -0.16 0.00 -1.01 0.00 0.00 64.21 62.05 43c9 n SER 56 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 43c9 s ILE 57 N -0.15 1.71 0.02 0.44 1.01 -1.26 -0.15 121.20 122.83 43c9 s ILE 57 Ca 0.84 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.67 43c9 s ILE 57 Cb -1.13 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 43c9 s ILE 57 CO 0.55 0.48 -0.18 -1.61 0.00 0.00 0.00 174.94 174.19 43c9 s GLU 58 N -0.05 1.29 0.33 2.79 2.02 -0.18 -4.99 118.70 119.92 43c9 s GLU 58 Ca -0.04 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.26 43c9 s GLU 58 Cb -0.13 -1.32 -0.06 0.00 0.10 0.00 0.00 34.13 32.72 43c9 s GLU 58 CO 0.03 0.35 -0.06 0.71 0.02 0.00 0.00 175.26 176.31 43c9 s TYR 59 N -0.64 2.22 0.05 1.61 2.02 -1.26 -1.08 117.35 120.27 43c9 s TYR 59 Ca 0.06 -0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 43c9 s TYR 59 Cb -0.08 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 43c9 s TYR 59 CO 0.01 0.41 1.09 1.21 -1.57 0.00 0.00 175.55 176.70 43c9 s ASN 60 N -3.55 7.24 0.62 2.29 3.84 -0.96 -4.91 114.94 119.50 43c9 s ASN 60 Ca 0.32 1.86 0.31 0.00 0.21 0.00 0.00 52.86 55.56 43c9 s ASN 60 Cb 0.04 -2.58 1.70 0.00 -0.55 0.00 0.00 41.25 39.87 43c9 s ASN 60 CO 0.15 -0.34 2.04 1.55 -2.79 0.00 0.00 177.10 177.71 43c9 h PRO 61 N 6.57 0.00 0.00 0.43 0.13 -1.95 0.58 132.00 137.76 43c9 h PRO 61 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 43c9 h PRO 61 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 43c9 h PRO 61 CO 0.77 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 43c9 n ALA 62 N -2.19 -0.10 0.28 -0.56 0.00 -1.26 -4.13 120.51 112.55 43c9 n ALA 62 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 43c9 n ALA 62 Cb 0.38 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.10 43c9 n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 43c9 n LEU 63 N -1.71 0.18 -0.50 0.00 4.77 -1.20 -3.80 117.00 114.73 43c9 n LEU 63 Ca 0.00 0.56 0.41 0.00 -0.03 0.00 0.00 56.01 56.95 43c9 n LEU 63 Cb 0.00 -0.55 0.70 0.00 -2.33 0.00 0.00 43.42 41.23 43c9 n LEU 63 CO 0.00 -0.47 1.28 0.50 -1.33 0.00 0.00 177.39 177.37 43c9 h LYS 64 N 0.00 0.03 0.00 3.23 3.64 -1.03 0.36 116.57 122.80 43c9 h LYS 64 Ca 0.00 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 43c9 h LYS 64 Cb 0.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 43c9 h LYS 64 CO 0.00 0.02 -0.55 0.66 -2.27 0.00 0.00 179.45 177.31 43c9 h SER 65 N 0.03 0.00 -0.01 4.20 4.64 -1.85 -3.18 113.55 117.38 43c9 h SER 65 Ca 0.86 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.18 43c9 h SER 65 Cb 2.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.99 43c9 h SER 65 CO -0.36 0.55 -0.64 0.54 -0.87 0.00 0.00 176.83 176.05 43c9 n ARG 66 N -3.40 0.86 -3.89 4.77 1.74 0.10 -4.97 116.66 111.87 43c9 n ARG 66 Ca 0.01 -0.66 -0.28 0.00 -0.77 0.00 0.00 57.85 56.15 43c9 n ARG 66 Cb 0.68 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 43c9 n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 43c9 s LEU 67 N -2.63 4.32 -0.19 0.55 1.43 0.09 -0.63 118.68 121.62 43c9 s LEU 67 Ca 0.15 0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 43c9 s LEU 67 Cb 0.17 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.48 43c9 s LEU 67 CO 0.66 0.07 0.44 -0.55 0.23 0.00 0.00 176.35 177.19 43c9 s SER 68 N -3.00 -0.43 -0.03 2.29 0.15 -0.77 -4.90 113.70 107.00 43c9 s SER 68 Ca 0.36 0.99 0.04 0.00 0.70 0.00 0.00 55.95 58.03 43c9 s SER 68 Cb -0.12 1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 65.29 43c9 s SER 68 CO 0.28 -0.21 -0.14 -0.63 1.20 0.00 0.00 173.24 173.74 43c9 s ILE 69 N 2.00 1.16 0.36 6.45 1.01 -1.26 -1.42 121.20 129.50 43c9 s ILE 69 Ca -0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 43c9 s ILE 69 Cb -0.10 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.39 43c9 s ILE 69 CO -0.13 0.34 0.62 -0.94 0.00 0.00 0.00 174.94 174.83 43c9 s SER 70 N 0.07 0.47 0.28 3.58 1.04 -1.02 -4.98 113.70 113.13 43c9 s SER 70 Ca -0.03 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 54.92 43c9 s SER 70 Cb -0.10 0.75 0.02 0.00 0.10 0.00 0.00 66.02 66.78 43c9 s SER 70 CO 0.01 -1.47 0.65 -1.59 0.98 0.00 0.00 173.24 171.83 43c9 s LYS 71 N -2.78 1.75 -0.32 4.02 -2.85 -1.26 -0.47 119.74 117.84 43c9 s LYS 71 Ca 0.23 -1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 54.08 43c9 s LYS 71 Cb -0.03 0.57 0.12 0.00 -2.06 0.00 0.00 37.83 36.43 43c9 s LYS 71 CO 0.16 -0.79 0.18 0.34 0.10 0.00 0.00 175.35 175.34 43c9 s ASP 72 N -2.96 3.17 0.52 0.03 -1.08 -0.48 -5.01 116.67 110.85 43c9 s ASP 72 Ca 0.15 -1.67 0.17 0.00 -0.52 0.00 0.00 52.55 50.68 43c9 s ASP 72 Cb -0.04 -0.32 1.29 0.00 -1.46 0.00 0.00 42.92 42.39 43c9 s ASP 72 CO 0.08 -0.38 2.15 0.78 0.52 0.00 0.00 175.17 178.32 43c9 h ASN 73 N 7.77 0.00 0.32 -0.34 2.35 -1.97 0.37 115.58 124.08 43c9 h ASN 73 Ca -0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 43c9 h ASN 73 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 43c9 h ASN 73 CO 0.35 0.00 -0.45 0.77 -1.65 0.00 0.00 177.43 176.45 43c9 h SER 74 N 0.00 0.18 -0.01 5.81 4.64 -1.96 -3.05 113.55 119.16 43c9 h SER 74 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 43c9 h SER 74 Cb 0.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 43c9 h SER 74 CO -0.00 0.61 -0.48 0.29 -0.87 0.00 0.00 176.83 176.38 43c9 n LYS 75 N -3.99 1.24 -3.53 4.77 5.02 -0.80 -4.99 118.16 115.87 43c9 n LYS 75 Ca -0.02 -0.93 -0.19 0.00 -2.02 0.00 0.00 58.31 55.15 43c9 n LYS 75 Cb 0.50 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 34.13 43c9 n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 43c9 n SER 76 N -0.09 -2.42 -4.19 4.39 7.64 0.05 -4.77 113.62 114.23 43c9 n SER 76 Ca 0.09 -0.67 -0.20 0.00 1.01 0.00 0.00 58.87 59.10 43c9 n SER 76 Cb 0.45 -4.81 -0.12 0.00 -1.01 0.00 0.00 64.21 58.72 43c9 n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 43c9 s GLN 77 N -5.67 0.91 0.07 1.43 -0.21 -1.01 -0.70 119.66 114.48 43c9 s GLN 77 Ca 0.09 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 54.61 43c9 s GLN 77 Cb -0.04 -0.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.98 43c9 s GLN 77 CO 0.75 0.22 -0.22 0.42 -2.12 0.00 0.00 175.29 174.35 43c9 s ILE 78 N -1.16 1.79 0.00 1.08 1.09 -0.56 -1.39 121.20 122.06 43c9 s ILE 78 Ca 0.00 -1.40 0.06 0.00 -1.10 0.00 0.00 60.65 58.21 43c9 s ILE 78 Cb -0.10 -1.58 -0.02 0.00 -1.06 0.00 0.00 42.46 39.71 43c9 s ILE 78 CO 0.02 0.11 -0.19 -0.36 -0.10 0.00 0.00 174.94 174.42 43c9 s PHE 79 N -0.96 1.70 -0.11 3.97 0.08 0.38 -1.08 117.98 121.96 43c9 s PHE 79 Ca 0.08 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.81 43c9 s PHE 79 Cb -0.09 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 43c9 s PHE 79 CO 0.03 0.01 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.84 43c9 s LEU 80 N -0.69 1.72 -0.24 -0.37 2.96 -0.86 -2.45 118.68 118.75 43c9 s LEU 80 Ca 0.07 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 43c9 s LEU 80 Cb -0.08 -1.11 0.07 0.00 0.50 0.00 0.00 46.19 45.57 43c9 s LEU 80 CO 0.00 0.01 0.01 -0.75 -1.32 0.00 0.00 176.35 174.30 43c9 s LYS 81 N 1.06 1.15 -0.14 1.98 2.47 -0.51 -1.33 119.74 124.42 43c9 s LYS 81 Ca -0.05 -0.90 -0.02 0.00 -1.56 0.00 0.00 55.97 53.45 43c9 s LYS 81 Cb -0.15 -2.37 -0.02 0.00 -1.46 0.00 0.00 37.83 33.83 43c9 s LYS 81 CO -0.03 -0.71 -0.09 1.41 0.16 0.00 0.00 175.35 176.09 43c9 s MET 82 N 1.54 3.51 0.54 4.03 -2.45 -0.98 -1.85 119.30 123.64 43c9 s MET 82 Ca -0.00 -0.61 0.08 0.00 -1.25 0.00 0.00 55.69 53.91 43c9 s MET 82 Cb -0.18 -2.75 0.06 0.00 1.25 0.00 0.00 34.83 33.21 43c9 s MET 82 CO -0.11 0.23 0.64 -0.80 1.05 0.00 0.00 175.02 176.04 43c9 s ASN 82 N 0.34 5.02 -1.24 1.11 0.01 0.20 -0.46 114.94 119.91 43c9 s ASN 82 Ca -0.08 -0.91 -0.23 0.00 -0.71 0.00 0.00 52.86 50.92 43c9 s ASN 82 Cb -0.15 0.19 0.02 0.00 0.41 0.00 0.00 41.25 41.72 43c9 s ASN 82 CO 0.05 -1.18 0.63 -1.20 -1.51 0.00 0.00 177.10 173.88 43c9 n SER 82 N -2.03 -3.63 -4.76 -1.22 7.64 -1.26 -4.86 113.62 103.49 43c9 n SER 82 Ca 0.10 -1.17 -0.39 0.00 1.01 0.00 0.00 58.87 58.41 43c9 n SER 82 Cb 0.62 -2.38 0.03 0.00 -1.01 0.00 0.00 64.21 61.46 43c9 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 43c9 s LEU 82 N -7.08 4.00 0.07 -3.43 1.43 -1.21 -4.75 118.68 107.71 43c9 s LEU 82 Ca 0.39 2.85 0.03 0.00 -1.03 0.00 0.00 54.13 56.37 43c9 s LEU 82 Cb -0.18 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 43c9 s LEU 82 CO 0.93 -1.35 -0.09 0.00 0.23 0.00 0.00 176.35 176.07 43c9 s GLN 83 N -2.65 0.69 0.00 1.70 -2.07 -1.26 -0.86 119.66 115.20 43c9 s GLN 83 Ca 0.66 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 43c9 s GLN 83 Cb -0.42 -0.41 0.00 0.00 -1.09 0.00 0.00 33.01 31.09 43c9 s GLN 83 CO 0.52 0.07 0.58 0.25 -1.32 0.00 0.00 175.29 175.39 43c9 n THR 84 N 1.01 0.51 0.06 3.63 -2.24 -1.26 -0.75 114.28 115.24 43c9 n THR 84 Ca -0.19 0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 43c9 n THR 84 Cb 0.56 -1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 43c9 n THR 84 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 43c9 h ASP 85 N 0.00 0.00 0.11 3.42 1.82 -1.94 -3.30 116.42 116.53 43c9 h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 43c9 h ASP 85 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 43c9 h ASP 85 CO 0.00 0.95 0.00 0.47 -1.61 0.00 0.00 179.24 179.05 43c9 n ASP 86 N -3.29 0.00 -4.71 2.28 8.00 0.07 -4.84 116.55 114.05 43c9 n ASP 86 Ca -0.02 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 43c9 n ASP 86 Cb 0.93 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 43c9 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 43c9 s SER 87 N -2.16 6.50 0.16 -2.24 0.01 -1.25 -4.88 113.70 109.85 43c9 s SER 87 Ca 0.29 2.70 -0.22 0.00 1.31 0.00 0.00 55.95 60.03 43c9 s SER 87 Cb 0.15 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.87 43c9 s SER 87 CO 0.27 -0.90 1.04 0.00 0.41 0.00 0.00 173.24 174.07 43c9 n ALA 88 N 4.31 -2.74 -2.78 1.44 0.00 -0.68 -4.85 120.51 115.21 43c9 n ALA 88 Ca 0.15 -1.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 43c9 n ALA 88 Cb 0.38 0.53 -0.11 0.00 0.00 0.00 0.00 19.45 20.24 43c9 n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 43c9 s MET 89 N -2.05 2.87 0.06 0.00 -2.45 -0.12 -0.72 119.30 116.88 43c9 s MET 89 Ca 0.23 -1.05 -0.15 0.00 -1.25 0.00 0.00 55.69 53.47 43c9 s MET 89 Cb -0.03 -3.75 -0.06 0.00 1.25 0.00 0.00 34.83 32.24 43c9 s MET 89 CO 0.05 -0.69 0.48 0.71 1.05 0.00 0.00 175.02 176.62 43c9 s TYR 90 N 1.57 3.71 0.02 4.11 1.51 0.13 -0.08 117.35 128.33 43c9 s TYR 90 Ca 0.02 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.15 43c9 s TYR 90 Cb -0.19 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 43c9 s TYR 90 CO 0.07 0.57 -0.03 0.71 -1.11 0.00 0.00 175.55 175.76 43c9 s TYR 91 N -1.20 0.26 0.03 2.71 2.02 0.03 -0.54 117.35 120.66 43c9 s TYR 91 Ca 0.29 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.54 43c9 s TYR 91 Cb -0.17 -0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 43c9 s TYR 91 CO 0.17 -0.17 -0.07 0.00 -1.57 0.00 0.00 175.55 173.90 43c9 s VAL 93 N -1.06 0.08 0.14 0.00 1.01 -0.29 -1.79 120.40 118.48 43c9 s VAL 93 Ca 0.19 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.33 43c9 s VAL 93 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 43c9 s VAL 93 CO 0.10 0.08 -0.14 -0.94 0.00 0.00 0.00 175.10 174.20 43c9 s SER 94 N 0.63 4.06 0.02 3.32 1.04 -0.41 -0.17 113.70 122.18 43c9 s SER 94 Ca -0.06 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.85 43c9 s SER 94 Cb -0.08 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.39 43c9 s SER 94 CO -0.01 0.15 -0.10 -0.31 0.98 0.00 0.00 173.24 173.94 43c9 s TYR 95 N -1.38 0.90 0.00 5.02 2.02 0.21 -1.77 117.35 122.35 43c9 s TYR 95 Ca 0.21 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 43c9 s TYR 95 Cb -0.10 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 43c9 s TYR 95 CO 0.12 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 43c9 n GLY 96 N 2.19 1.83 3.79 0.71 0.00 -0.42 -0.24 105.19 113.04 43c9 n GLY 96 Ca -0.17 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 43c9 n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 43c9 s TYR 97 N -2.00 2.73 0.00 1.61 1.51 -1.26 -4.25 117.35 115.69 43c9 s TYR 97 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 43c9 s TYR 97 Cb 0.00 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 43c9 s TYR 97 CO 0.00 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 43c9 n GLY 98 N -1.30 2.83 2.26 0.71 0.00 -1.26 -5.03 105.19 103.41 43c9 n GLY 98 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 43c9 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43c9 n GLY 99 N -1.40 1.62 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.18 43c9 n GLY 99 Ca 0.00 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.98 43c9 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 43c9 n ASP 100 N -2.70 0.00 -3.79 1.61 8.00 -1.26 -4.72 116.55 113.69 43c9 n ASP 100 Ca 0.10 -0.81 -0.10 0.00 0.71 0.00 0.00 54.79 54.69 43c9 n ASP 100 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 43c9 n ASP 100 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 43c9 s ARG 100 N -2.00 1.10 -0.10 -1.24 0.52 -1.26 -5.04 118.95 110.93 43c9 s ARG 100 Ca 0.28 -0.92 0.10 0.00 -0.52 0.00 0.00 55.73 54.68 43c9 s ARG 100 Cb 0.13 0.43 -0.24 0.00 0.52 0.00 0.00 34.95 35.79 43c9 s ARG 100 CO 0.22 -0.42 0.44 0.34 0.02 0.00 0.00 175.30 175.90 43c9 n PHE 100 N -0.21 0.76 -4.47 -0.53 7.35 -1.26 -4.68 117.46 114.42 43c9 n PHE 100 Ca -0.12 0.25 -0.22 0.00 -0.76 0.00 0.00 57.45 56.59 43c9 n PHE 100 Cb 0.63 -1.13 -0.14 0.00 0.35 0.00 0.00 39.48 39.19 43c9 n PHE 100 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 43c9 s SER 101 N -6.12 1.92 -0.16 -2.13 1.04 -1.26 -1.30 113.70 105.69 43c9 s SER 101 Ca -0.10 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 43c9 s SER 101 Cb 0.07 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.10 43c9 s SER 101 CO 0.81 0.09 -0.00 -0.31 0.98 0.00 0.00 173.24 174.80 43c9 s TYR 102 N -0.79 1.21 -0.34 5.02 2.02 -0.73 -5.00 117.35 118.74 43c9 s TYR 102 Ca 0.04 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 55.79 43c9 s TYR 102 Cb -0.08 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 43c9 s TYR 102 CO 0.01 -0.56 0.22 -0.46 -1.57 0.00 0.00 175.55 173.19 43c9 s TRP 103 N 1.79 3.22 0.91 2.71 -0.11 -1.26 -1.29 118.94 124.91 43c9 s TRP 103 Ca 0.01 -0.35 -0.12 0.00 1.22 0.00 0.00 56.10 56.86 43c9 s TRP 103 Cb -0.16 -2.45 0.18 0.00 -1.50 0.00 0.00 33.47 29.54 43c9 s TRP 103 CO -0.07 -0.41 0.41 0.41 -4.62 0.00 0.00 176.95 172.67 43c9 n GLY 104 N 5.08 -2.07 0.17 5.86 0.00 -0.74 -4.91 105.19 108.58 43c9 n GLY 104 Ca -0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 43c9 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 43c9 h GLN 105 N 0.00 0.46 0.00 1.61 4.20 -1.86 -3.48 115.11 116.05 43c9 h GLN 105 Ca -0.19 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.10 43c9 h GLN 105 Cb 0.63 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.51 43c9 h GLN 105 CO 0.11 1.07 0.00 0.41 -0.67 0.00 0.00 178.83 179.75 43c9 n GLY 106 N 0.75 2.35 3.22 3.46 0.00 -1.26 -5.06 105.19 108.66 43c9 n GLY 106 Ca -0.06 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 43c9 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 43c9 s THR 107 N -2.87 -0.19 -0.01 2.61 -1.32 0.30 -4.62 115.64 109.52 43c9 s THR 107 Ca 0.00 0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.34 43c9 s THR 107 Cb 0.00 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.37 43c9 s THR 107 CO 0.00 0.05 0.85 -0.22 -2.21 0.00 0.00 174.62 173.09 43c9 s LEU 108 N 1.73 4.37 -0.17 9.08 2.96 -1.26 0.21 118.68 135.59 43c9 s LEU 108 Ca -0.07 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 43c9 s LEU 108 Cb -0.10 -3.34 0.03 0.00 0.50 0.00 0.00 46.19 43.28 43c9 s LEU 108 CO -0.12 -0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.91 43c9 s VAL 109 N 0.72 1.76 -0.37 1.68 1.01 0.10 -3.52 120.40 121.76 43c9 s VAL 109 Ca 0.44 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.62 43c9 s VAL 109 Cb -0.20 -1.67 0.11 0.00 0.00 0.00 0.00 36.38 34.62 43c9 s VAL 109 CO 0.24 0.41 0.10 -0.89 0.00 0.00 0.00 175.10 174.95 43c9 s THR 110 N 1.39 2.39 -0.62 3.92 2.01 0.11 -1.68 115.64 123.16 43c9 s THR 110 Ca 0.03 -2.50 -0.26 0.00 0.31 0.00 0.00 61.69 59.27 43c9 s THR 110 Cb -0.14 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.67 43c9 s THR 110 CO -0.11 -0.64 1.13 -0.69 -0.69 0.00 0.00 174.62 173.63 43c9 s VAL 111 N 0.71 4.06 0.00 3.82 1.01 -1.26 -1.09 120.40 127.65 43c9 s VAL 111 Ca 0.12 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.61 43c9 s VAL 111 Cb -0.20 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.45 43c9 s VAL 111 CO -0.06 -1.43 0.00 -1.54 0.00 0.00 0.00 175.10 172.07