#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 0.06 -3.49 1.61 10.64 -1.26 -4.78 117.38 120.16 43c9 n GLN 1 Ca 0.00 -0.03 -0.38 0.00 -1.83 0.00 0.00 57.00 54.76 43c9 n GLN 1 Cb 0.00 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.79 43c9 n GLN 1 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 43c9 s VAL 2 N -2.96 5.25 -0.01 -0.39 1.01 -1.26 -4.28 120.40 117.75 43c9 s VAL 2 Ca 0.13 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.58 43c9 s VAL 2 Cb 0.18 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.93 43c9 s VAL 2 CO 0.66 0.26 -0.06 -1.10 0.00 0.00 0.00 175.10 174.86 43c9 s GLN 3 N 1.47 0.57 -0.30 2.72 -1.52 -0.96 -4.97 119.66 116.67 43c9 s GLN 3 Ca 0.13 -0.18 -0.02 0.00 -1.95 0.00 0.00 55.36 53.34 43c9 s GLN 3 Cb -0.15 -0.57 0.05 0.00 -0.22 0.00 0.00 33.01 32.12 43c9 s GLN 3 CO 0.08 0.07 0.01 -0.51 -0.25 0.00 0.00 175.29 174.69 43c9 s LEU 4 N 0.15 3.95 -0.26 2.90 1.43 -1.26 0.07 118.68 125.66 43c9 s LEU 4 Ca -0.01 -1.27 0.02 0.00 -1.03 0.00 0.00 54.13 51.84 43c9 s LEU 4 Cb -0.06 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.50 43c9 s LEU 4 CO -0.00 -0.27 -0.09 -0.69 0.23 0.00 0.00 176.35 175.53 43c9 s VAL 5 N 1.26 2.00 0.08 -1.59 1.01 0.85 -3.37 120.40 120.64 43c9 s VAL 5 Ca -0.05 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 43c9 s VAL 5 Cb -0.20 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 43c9 s VAL 5 CO -0.01 -0.07 0.94 -1.61 0.00 0.00 0.00 175.10 174.35 43c9 s GLU 6 N 1.17 4.65 -0.08 2.72 8.01 -1.25 -1.21 118.70 132.71 43c9 s GLU 6 Ca -0.07 1.40 0.01 0.00 0.01 0.00 0.00 54.97 56.32 43c9 s GLU 6 Cb -0.20 -3.40 -0.03 0.00 -4.31 0.00 0.00 34.13 26.20 43c9 s GLU 6 CO -0.06 0.16 -0.09 0.45 0.01 0.00 0.00 175.26 175.73 43c9 s SER 7 N 0.24 4.46 0.18 -0.19 0.15 0.15 -4.69 113.70 114.01 43c9 s SER 7 Ca 0.47 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 43c9 s SER 7 Cb -0.22 -1.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 43c9 s SER 7 CO 0.29 0.33 0.28 0.61 1.20 0.00 0.00 173.24 175.94 43c9 n GLY 8 N 2.45 2.40 0.10 9.45 0.00 -1.26 -1.40 105.19 116.93 43c9 n GLY 8 Ca -0.18 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.29 0.62 0.00 1.61 -0.04 -1.26 -5.06 135.00 130.57 43c9 n PRO 9 Ca -0.01 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 43c9 n PRO 9 Cb 0.30 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.35 1.41 3.80 0.55 0.00 -1.25 -4.80 105.19 106.25 43c9 n GLY 10 Ca -0.08 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 4.50 -0.03 0.99 1.02 -1.26 -0.24 118.68 123.66 43c9 s LEU 11 Ca 0.00 1.19 -0.02 0.00 0.02 0.00 0.00 54.13 55.32 43c9 s LEU 11 Cb 0.00 -2.85 0.02 0.00 0.02 0.00 0.00 46.19 43.38 43c9 s LEU 11 CO 0.00 0.25 0.07 0.54 0.02 0.00 0.00 176.35 177.23 43c9 s VAL 12 N -0.90 -0.02 0.27 -1.59 0.11 0.42 -4.92 120.40 113.78 43c9 s VAL 12 Ca 0.28 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.11 43c9 s VAL 12 Cb -0.19 -0.12 -0.10 0.00 -1.53 0.00 0.00 36.38 34.44 43c9 s VAL 12 CO 0.18 0.03 1.35 0.00 -3.33 0.00 0.00 175.10 173.32 43c9 s ALA 13 N 0.41 3.55 1.06 1.54 0.00 -1.21 -0.66 121.76 126.44 43c9 s ALA 13 Ca -0.03 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 43c9 s ALA 13 Cb -0.05 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.79 43c9 s ALA 13 CO -0.01 -0.65 1.07 -1.25 0.00 0.00 0.00 175.76 174.92 43c9 s PRO 14 N -0.95 -0.08 0.00 0.00 0.04 -1.26 -2.20 135.00 130.55 43c9 s PRO 14 Ca 0.54 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.53 43c9 s PRO 14 Cb -0.40 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.50 43c9 s PRO 14 CO 0.46 -3.19 0.00 0.43 0.04 0.00 0.00 177.00 174.74 43c9 n SER 15 N -4.56 0.00 -4.75 6.66 7.64 -0.63 -4.91 113.62 113.07 43c9 n SER 15 Ca 0.06 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 43c9 n SER 15 Cb 0.54 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.85 43c9 n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 43c9 s GLN 16 N 0.00 1.81 -0.15 1.43 -1.52 -0.93 -4.28 119.66 116.00 43c9 s GLN 16 Ca 0.00 0.94 -0.05 0.00 -1.95 0.00 0.00 55.36 54.30 43c9 s GLN 16 Cb 0.00 -1.86 -0.03 0.00 -0.22 0.00 0.00 33.01 30.90 43c9 s GLN 16 CO 0.00 -1.89 -0.00 -1.54 -0.25 0.00 0.00 175.29 171.61 43c9 s SER 17 N -3.48 5.11 0.27 5.90 1.04 -1.26 -2.98 113.70 118.29 43c9 s SER 17 Ca 0.62 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.72 43c9 s SER 17 Cb -0.17 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.06 43c9 s SER 17 CO 0.56 0.20 1.04 -0.22 0.98 0.00 0.00 173.24 175.80 43c9 s LEU 18 N 0.21 4.59 -0.14 2.42 2.96 -0.83 -4.95 118.68 122.94 43c9 s LEU 18 Ca 0.00 2.15 -0.04 0.00 -0.22 0.00 0.00 54.13 56.02 43c9 s LEU 18 Cb -0.13 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 42.99 43c9 s LEU 18 CO 0.02 -0.03 0.12 -0.44 -1.32 0.00 0.00 176.35 174.69 43c9 s SER 19 N -0.99 1.77 0.27 3.68 0.01 -1.26 -2.65 113.70 114.53 43c9 s SER 19 Ca 0.43 -0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.48 43c9 s SER 19 Cb -0.30 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 43c9 s SER 19 CO 0.38 -0.32 0.02 -0.63 0.41 0.00 0.00 173.24 173.10 43c9 s ILE 20 N 2.20 3.48 -0.03 1.44 1.01 -0.66 -4.54 121.20 124.10 43c9 s ILE 20 Ca 0.04 -1.87 -0.01 0.00 0.00 0.00 0.00 60.65 58.80 43c9 s ILE 20 Cb -0.15 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.47 43c9 s ILE 20 CO -0.08 -0.36 0.04 -0.89 0.00 0.00 0.00 174.94 173.65 43c9 s THR 21 N -2.32 -0.07 -0.48 2.92 2.01 -0.49 -2.60 115.64 114.61 43c9 s THR 21 Ca 0.32 0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 43c9 s THR 21 Cb -0.06 -0.14 0.07 0.00 0.01 0.00 0.00 72.50 72.38 43c9 s THR 21 CO 0.20 0.15 0.45 0.00 -0.69 0.00 0.00 174.62 174.73 43c9 s THR 23 N 1.85 4.96 -0.01 0.00 2.01 -0.35 -0.68 115.64 123.41 43c9 s THR 23 Ca 0.06 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 43c9 s THR 23 Cb -0.23 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 43c9 s THR 23 CO 0.08 -0.32 0.11 -0.69 -0.69 0.00 0.00 174.62 173.11 43c9 s VAL 24 N 2.53 4.94 0.03 3.82 1.01 -0.06 -0.11 120.40 132.56 43c9 s VAL 24 Ca 0.20 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.89 43c9 s VAL 24 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 43c9 s VAL 24 CO 0.15 0.36 -0.07 -0.94 0.00 0.00 0.00 175.10 174.60 43c9 s SER 25 N -1.73 0.73 0.00 3.32 1.04 0.11 -4.84 113.70 112.32 43c9 s SER 25 Ca 0.23 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.27 43c9 s SER 25 Cb -0.12 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 43c9 s SER 25 CO 0.14 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.85 43c9 n GLY 26 N 1.96 0.88 3.18 7.32 0.00 -1.26 -2.27 105.19 115.00 43c9 n GLY 26 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.50 0.16 -0.06 -0.61 -4.36 -1.26 -4.88 121.20 106.70 43c9 s ILE 27 Ca 0.00 -1.30 -0.17 0.00 -0.26 0.00 0.00 60.65 58.91 43c9 s ILE 27 Cb 0.00 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 43c9 s ILE 27 CO 0.00 -0.72 0.47 -0.55 0.24 0.00 0.00 174.94 174.38 43c9 s SER 28 N -2.83 6.78 0.17 4.36 0.15 -1.26 -4.97 113.70 116.10 43c9 s SER 28 Ca 0.05 0.93 0.22 0.00 0.70 0.00 0.00 55.95 57.84 43c9 s SER 28 Cb 0.05 -2.29 0.88 0.00 -1.71 0.00 0.00 66.02 62.95 43c9 s SER 28 CO -0.10 0.13 1.67 0.18 1.20 0.00 0.00 173.24 176.31 43c9 n LEU 29 N 2.89 0.46 0.08 3.45 4.77 -1.26 -2.43 117.00 124.96 43c9 n LEU 29 Ca -0.09 0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 43c9 n LEU 29 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 43c9 n LEU 29 CO 0.41 -0.39 0.27 0.28 -1.33 0.00 0.00 177.39 176.63 43c9 h SER 30 N 0.00 0.30 0.18 -1.43 0.02 -1.94 -3.08 113.55 107.60 43c9 h SER 30 Ca 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 43c9 h SER 30 Cb 0.39 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.84 43c9 h SER 30 CO 0.00 1.02 -0.30 0.54 -1.14 0.00 0.00 176.83 176.95 43c9 n ARG 31 N -3.69 0.93 -4.36 3.45 1.74 -1.02 -4.39 116.66 109.32 43c9 n ARG 31 Ca -0.04 -0.60 -0.22 0.00 -0.77 0.00 0.00 57.85 56.21 43c9 n ARG 31 Cb 0.79 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.49 1.58 -0.22 -1.55 1.51 -1.13 -4.17 117.35 110.88 43c9 s TYR 32 Ca 0.23 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 43c9 s TYR 32 Cb 0.19 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 43c9 s TYR 32 CO 0.53 0.12 0.11 -0.80 -1.11 0.00 0.00 175.55 174.40 43c9 s ASN 33 N -1.56 5.82 -0.21 2.29 0.01 0.76 -3.23 114.94 118.81 43c9 s ASN 33 Ca 0.04 0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 52.19 43c9 s ASN 33 Cb -0.09 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 43c9 s ASN 33 CO 0.03 0.10 0.03 -0.69 -1.51 0.00 0.00 177.10 175.06 43c9 s VAL 34 N 0.85 4.19 0.02 1.60 1.01 -1.18 -0.53 120.40 126.36 43c9 s VAL 34 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.83 43c9 s VAL 34 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 43c9 s VAL 34 CO 0.03 0.40 0.02 -1.00 0.00 0.00 0.00 175.10 174.54 43c9 s HIS 35 N 1.13 3.10 -0.19 5.22 3.76 0.17 -1.13 115.29 127.35 43c9 s HIS 35 Ca 0.03 0.08 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 43c9 s HIS 35 Cb -0.14 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 43c9 s HIS 35 CO 0.02 0.48 0.05 -1.58 -0.85 0.00 0.00 174.74 172.86 43c9 s TRP 36 N -1.17 3.18 0.07 1.40 0.52 -0.43 -0.69 118.94 121.82 43c9 s TRP 36 Ca 0.22 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.27 43c9 s TRP 36 Cb -0.12 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 43c9 s TRP 36 CO 0.13 0.04 -0.05 0.08 0.02 0.00 0.00 176.95 177.18 43c9 s VAL 37 N 0.56 0.41 0.04 4.03 1.01 0.40 -1.09 120.40 125.76 43c9 s VAL 37 Ca 0.02 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 43c9 s VAL 37 Cb -0.13 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 43c9 s VAL 37 CO 0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 175.10 174.19 43c9 s ARG 38 N -3.62 0.53 -0.08 2.72 1.70 -0.70 -0.22 118.95 119.28 43c9 s ARG 38 Ca 0.06 -1.05 -0.07 0.00 -0.47 0.00 0.00 55.73 54.20 43c9 s ARG 38 Cb 0.05 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.63 43c9 s ARG 38 CO -0.07 -0.09 0.22 -1.14 -1.08 0.00 0.00 175.30 173.13 43c9 s GLN 39 N -3.22 0.25 0.09 3.89 0.74 -0.07 -1.37 119.66 119.98 43c9 s GLN 39 Ca 0.00 0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 43c9 s GLN 39 Cb 0.03 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.27 43c9 s GLN 39 CO -0.07 -0.03 0.24 -1.54 -0.55 0.00 0.00 175.29 173.34 43c9 s SER 40 N 0.14 0.02 0.13 6.67 1.04 -1.00 -1.15 113.70 119.55 43c9 s SER 40 Ca -0.00 -0.55 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 43c9 s SER 40 Cb -0.02 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 43c9 s SER 40 CO 0.00 -0.75 1.59 -0.65 0.98 0.00 0.00 173.24 174.42 43c9 h PRO 41 N 2.69 0.68 -0.28 4.02 0.11 -1.95 -0.56 132.00 136.71 43c9 h PRO 41 Ca -0.34 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 43c9 h PRO 41 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 43c9 h PRO 41 CO 0.53 0.74 -0.06 0.78 -0.21 0.00 0.00 178.00 179.78 43c9 h GLY 42 N 0.52 0.58 0.62 -0.55 0.00 -1.98 -3.30 103.07 98.97 43c9 h GLY 42 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.97 43c9 h GLY 42 CO 0.01 0.44 -0.44 0.28 0.00 0.00 0.00 176.54 176.82 43c9 n LYS 43 N -4.51 0.32 0.00 4.80 5.02 -1.23 -5.07 118.16 117.49 43c9 n LYS 43 Ca -0.03 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 43c9 n LYS 43 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 43c9 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 43c9 n GLY 44 N 1.44 0.06 3.79 0.72 0.00 -0.22 -4.67 105.19 106.31 43c9 n GLY 44 Ca 0.08 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 4.43 -0.04 0.99 1.43 -1.26 -2.38 118.68 121.84 43c9 s LEU 45 Ca 0.00 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 43c9 s LEU 45 Cb 0.00 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.51 43c9 s LEU 45 CO 0.00 0.20 -0.06 -1.61 0.23 0.00 0.00 176.35 175.11 43c9 s GLU 46 N -0.53 0.86 -0.11 1.70 2.02 -0.47 -5.01 118.70 117.17 43c9 s GLU 46 Ca 0.26 -0.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.82 43c9 s GLU 46 Cb -0.17 -0.83 -0.02 0.00 0.10 0.00 0.00 34.13 33.21 43c9 s GLU 46 CO 0.14 -0.03 0.93 -0.46 0.02 0.00 0.00 175.26 175.87 43c9 s TRP 47 N 0.70 3.51 -0.24 1.61 -0.00 -1.26 -1.72 118.94 121.53 43c9 s TRP 47 Ca -0.10 1.48 -0.10 0.00 -0.00 0.00 0.00 56.10 57.38 43c9 s TRP 47 Cb -0.13 -3.10 -0.17 0.00 -0.00 0.00 0.00 33.47 30.07 43c9 s TRP 47 CO 0.01 -0.19 -0.10 1.28 -0.00 0.00 0.00 176.95 177.95 43c9 n LEU 48 N 4.88 2.31 0.00 5.86 4.77 -0.25 -4.67 117.00 129.90 43c9 n LEU 48 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 43c9 n LEU 48 Cb 0.49 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 43c9 n LEU 48 CO 0.51 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 43c9 n GLY 49 N 1.67 -0.96 3.64 -0.72 0.00 -1.04 -0.40 105.19 107.38 43c9 n GLY 49 Ca -0.44 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.33 1.16 -0.29 1.61 0.23 -0.19 -1.32 119.30 120.17 43c9 s MET 50 Ca 0.00 -0.56 -0.02 0.00 -1.03 0.00 0.00 55.69 54.09 43c9 s MET 50 Cb 0.00 0.45 0.12 0.00 -1.53 0.00 0.00 34.83 33.87 43c9 s MET 50 CO 0.00 -0.52 0.24 -1.50 -2.03 0.00 0.00 175.02 171.21 43c9 s ILE 51 N -3.38 -0.29 0.88 3.16 2.07 -0.28 -1.70 121.20 121.65 43c9 s ILE 51 Ca 0.08 -0.56 -0.13 0.00 -1.41 0.00 0.00 60.65 58.63 43c9 s ILE 51 Cb -0.02 -0.97 0.04 0.00 0.13 0.00 0.00 42.46 41.64 43c9 s ILE 51 CO -0.03 -0.54 0.61 0.79 -1.91 0.00 0.00 174.94 173.86 43c9 n TRP 52 N 5.29 -0.73 -0.32 3.50 7.02 -0.06 -3.08 117.44 129.06 43c9 n TRP 52 Ca -0.03 0.30 0.12 0.00 -1.02 0.00 0.00 57.50 56.87 43c9 n TRP 52 Cb 0.45 -1.87 0.30 0.00 -2.42 0.00 0.00 31.31 27.77 43c9 n TRP 52 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 43c9 h GLY 53 N -1.28 1.61 -5.49 6.99 0.00 -1.72 -2.08 103.07 101.09 43c9 h GLY 53 Ca -0.44 -0.25 -0.71 0.00 0.00 0.00 0.00 47.33 45.93 43c9 h GLY 53 CO 0.38 -0.17 1.55 0.61 0.00 0.00 0.00 176.54 178.91 43c9 n GLY 54 N -1.33 5.29 4.72 4.60 0.00 -1.26 -4.45 105.19 112.76 43c9 n GLY 54 Ca 0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.06 43c9 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43c9 n GLY 55 N 0.91 0.00 3.66 -0.02 0.00 -0.78 -4.94 105.19 104.02 43c9 n GLY 55 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 43c9 n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 43c9 s SER 56 N -1.44 6.48 -0.14 1.61 0.15 -1.26 -4.75 113.70 114.35 43c9 s SER 56 Ca 0.00 2.41 -0.04 0.00 0.70 0.00 0.00 55.95 59.03 43c9 s SER 56 Cb 0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 43c9 s SER 56 CO 0.00 -1.06 -0.02 -0.63 1.20 0.00 0.00 173.24 172.73 43c9 s ILE 57 N 4.51 4.04 0.05 6.45 1.01 -1.26 -0.88 121.20 135.13 43c9 s ILE 57 Ca 0.82 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.25 43c9 s ILE 57 Cb -0.38 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 43c9 s ILE 57 CO 0.36 0.51 -0.24 -1.61 0.00 0.00 0.00 174.94 173.96 43c9 s GLU 58 N 0.11 1.61 0.24 2.79 2.02 -0.69 -5.00 118.70 119.78 43c9 s GLU 58 Ca 0.00 -1.08 0.10 0.00 0.02 0.00 0.00 54.97 54.02 43c9 s GLU 58 Cb -0.13 -1.79 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 43c9 s GLU 58 CO 0.02 0.46 -0.18 0.71 0.02 0.00 0.00 175.26 176.29 43c9 s TYR 59 N -0.83 2.07 -0.40 1.61 2.02 -1.26 -1.02 117.35 119.53 43c9 s TYR 59 Ca 0.10 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 43c9 s TYR 59 Cb -0.10 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 43c9 s TYR 59 CO 0.02 0.55 1.19 1.21 -1.57 0.00 0.00 175.55 176.96 43c9 s ASN 60 N -3.29 6.67 0.15 2.29 3.84 0.47 -4.89 114.94 120.18 43c9 s ASN 60 Ca 0.25 0.80 -0.21 0.00 0.21 0.00 0.00 52.86 53.91 43c9 s ASN 60 Cb -0.04 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.15 43c9 s ASN 60 CO 0.11 -1.15 1.26 -0.81 -2.79 0.00 0.00 177.10 173.72 43c9 n PRO 61 N 7.53 -0.29 -0.29 0.43 -0.04 -1.26 0.43 135.00 141.51 43c9 n PRO 61 Ca 0.13 1.24 0.09 0.00 -0.04 0.00 0.00 63.50 64.92 43c9 n PRO 61 Cb 0.48 -1.83 0.24 0.00 -0.04 0.00 0.00 33.50 32.36 43c9 n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 43c9 h ALA 62 N 0.68 1.25 -0.02 0.55 0.00 -1.99 -1.78 119.26 117.95 43c9 h ALA 62 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.23 43c9 h ALA 62 Cb 0.39 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 43c9 h ALA 62 CO -0.78 -0.24 -0.20 1.28 0.00 0.00 0.00 179.25 179.31 43c9 n LEU 63 N -5.00 2.54 -0.30 0.00 4.77 0.11 -4.56 117.00 114.55 43c9 n LEU 63 Ca 0.18 -0.90 0.35 0.00 -0.03 0.00 0.00 56.01 55.61 43c9 n LEU 63 Cb 0.52 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.34 43c9 n LEU 63 CO 0.16 0.44 1.32 0.50 -1.33 0.00 0.00 177.39 178.48 43c9 h LYS 64 N 3.64 0.00 0.00 3.23 3.64 0.91 -1.09 116.57 126.89 43c9 h LYS 64 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 43c9 h LYS 64 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 43c9 h LYS 64 CO 0.00 0.00 -0.32 0.66 -2.27 0.00 0.00 179.45 177.52 43c9 h SER 65 N 0.00 0.00 0.00 4.20 4.64 -1.80 -3.21 113.55 117.37 43c9 h SER 65 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 43c9 h SER 65 Cb 2.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.45 43c9 h SER 65 CO -0.01 0.32 -1.36 0.54 -0.87 0.00 0.00 176.83 175.46 43c9 n ARG 66 N -3.86 0.64 -2.84 4.77 1.74 -0.49 -5.01 116.66 111.61 43c9 n ARG 66 Ca -0.01 -0.08 -0.33 0.00 -0.77 0.00 0.00 57.85 56.66 43c9 n ARG 66 Cb 0.40 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 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 -3.57 3.92 -0.15 0.55 1.43 -0.74 -1.98 118.68 118.14 43c9 s LEU 67 Ca -0.03 1.53 -0.08 0.00 -1.03 0.00 0.00 54.13 54.52 43c9 s LEU 67 Cb 0.06 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 41.95 43c9 s LEU 67 CO 0.41 -0.36 0.36 -0.55 0.23 0.00 0.00 176.35 176.44 43c9 s SER 68 N -2.40 -0.43 -0.01 2.29 0.15 0.13 -4.90 113.70 108.53 43c9 s SER 68 Ca 0.59 0.77 0.02 0.00 0.70 0.00 0.00 55.95 58.03 43c9 s SER 68 Cb -0.10 0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 43c9 s SER 68 CO 0.18 -0.18 -0.08 -0.63 1.20 0.00 0.00 173.24 173.73 43c9 s ILE 69 N 1.33 0.64 0.37 6.45 1.01 -1.26 -0.52 121.20 129.21 43c9 s ILE 69 Ca -0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 43c9 s ILE 69 Cb -0.09 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.88 43c9 s ILE 69 CO -0.11 0.18 0.66 -0.94 0.00 0.00 0.00 174.94 174.74 43c9 s SER 70 N -0.14 0.39 0.20 3.58 1.04 -1.20 -5.00 113.70 112.56 43c9 s SER 70 Ca 0.02 -1.29 -0.20 0.00 0.48 0.00 0.00 55.95 54.97 43c9 s SER 70 Cb -0.04 0.78 0.04 0.00 0.10 0.00 0.00 66.02 66.90 43c9 s SER 70 CO -0.00 -1.54 0.58 -1.59 0.98 0.00 0.00 173.24 171.67 43c9 s LYS 71 N -2.60 1.41 -0.27 4.02 -2.85 -1.26 -0.62 119.74 117.57 43c9 s LYS 71 Ca 0.22 -0.75 -0.02 0.00 -1.00 0.00 0.00 55.97 54.42 43c9 s LYS 71 Cb -0.03 0.56 0.09 0.00 -2.06 0.00 0.00 37.83 36.38 43c9 s LYS 71 CO 0.15 -0.61 0.07 0.34 0.10 0.00 0.00 175.35 175.40 43c9 s ASP 72 N -2.84 3.67 0.19 0.03 -1.08 0.12 -5.01 116.67 111.75 43c9 s ASP 72 Ca 0.06 -1.36 -0.11 0.00 -0.52 0.00 0.00 52.55 50.62 43c9 s ASP 72 Cb -0.02 -0.77 0.10 0.00 -1.46 0.00 0.00 42.92 40.78 43c9 s ASP 72 CO -0.05 -0.38 1.78 0.78 0.52 0.00 0.00 175.17 177.83 43c9 h ASN 73 N 8.15 0.85 -0.12 -0.34 2.35 -1.96 0.18 115.58 124.69 43c9 h ASN 73 Ca -0.15 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 43c9 h ASN 73 Cb 1.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 43c9 h ASN 73 CO 0.43 0.73 0.12 0.77 -1.65 0.00 0.00 177.43 177.83 43c9 h SER 74 N 0.90 0.00 -0.01 5.81 4.64 -1.97 -1.17 113.55 121.75 43c9 h SER 74 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 43c9 h SER 74 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 43c9 h SER 74 CO -0.03 0.00 -0.14 0.29 -0.87 0.00 0.00 176.83 176.08 43c9 n LYS 75 N -3.95 1.45 -3.74 4.77 5.02 -0.96 -5.01 118.16 115.73 43c9 n LYS 75 Ca -0.00 -0.86 -0.22 0.00 -2.02 0.00 0.00 58.31 55.21 43c9 n LYS 75 Cb 0.23 -1.16 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.13 -1.05 -4.15 4.39 7.64 0.60 -4.75 113.62 116.43 43c9 n SER 76 Ca 0.05 -0.85 -0.24 0.00 1.01 0.00 0.00 58.87 58.84 43c9 n SER 76 Cb 0.26 -3.89 -0.15 0.00 -1.01 0.00 0.00 64.21 59.41 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 -6.08 1.39 -0.02 1.43 -0.21 -0.95 -0.88 119.66 114.34 43c9 s GLN 77 Ca 0.01 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.84 43c9 s GLN 77 Cb -0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 43c9 s GLN 77 CO 0.82 0.35 -0.14 0.42 -2.12 0.00 0.00 175.29 174.62 43c9 s ILE 78 N -0.35 3.09 0.29 1.08 1.09 0.14 -0.71 121.20 125.83 43c9 s ILE 78 Ca 0.06 -0.85 0.12 0.00 -1.10 0.00 0.00 60.65 58.88 43c9 s ILE 78 Cb -0.07 -2.25 -0.05 0.00 -1.06 0.00 0.00 42.46 39.02 43c9 s ILE 78 CO -0.00 0.50 -0.19 -0.36 -0.10 0.00 0.00 174.94 174.79 43c9 s PHE 79 N -0.82 2.31 -0.11 3.97 0.08 0.21 -0.21 117.98 123.41 43c9 s PHE 79 Ca 0.13 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 43c9 s PHE 79 Cb -0.11 -1.04 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 43c9 s PHE 79 CO 0.03 0.70 0.30 -1.17 -0.10 0.00 0.00 175.22 174.98 43c9 s LEU 80 N -3.52 0.87 -0.05 -0.37 2.96 -1.07 -3.24 118.68 114.25 43c9 s LEU 80 Ca 0.30 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.76 43c9 s LEU 80 Cb -0.04 1.03 0.03 0.00 0.50 0.00 0.00 46.19 47.71 43c9 s LEU 80 CO 0.15 -0.12 0.08 -0.75 -1.32 0.00 0.00 176.35 174.39 43c9 s LYS 81 N 0.08 -0.05 -0.19 1.98 2.20 0.32 -1.65 119.74 122.43 43c9 s LYS 81 Ca -0.01 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.01 43c9 s LYS 81 Cb -0.02 -0.44 0.04 0.00 -1.51 0.00 0.00 37.83 35.89 43c9 s LYS 81 CO 0.01 -0.31 -0.13 1.41 -0.36 0.00 0.00 175.35 175.96 43c9 s MET 82 N 2.09 2.34 0.51 4.03 -2.45 -1.08 -0.69 119.30 124.03 43c9 s MET 82 Ca 0.03 -0.85 -0.07 0.00 -1.25 0.00 0.00 55.69 53.55 43c9 s MET 82 Cb -0.12 -2.45 -0.04 0.00 1.25 0.00 0.00 34.83 33.47 43c9 s MET 82 CO -0.04 -0.36 0.84 -0.80 1.05 0.00 0.00 175.02 175.72 43c9 s ASN 82 N 1.35 6.27 -0.86 1.11 0.01 -0.84 -1.96 114.94 120.03 43c9 s ASN 82 Ca 0.00 1.05 -0.04 0.00 -0.71 0.00 0.00 52.86 53.17 43c9 s ASN 82 Cb -0.15 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.21 43c9 s ASN 82 CO -0.09 -0.63 0.62 -1.20 -1.51 0.00 0.00 177.10 174.29 43c9 n SER 82 N -2.30 -5.02 -4.75 -1.22 7.64 -1.26 -4.87 113.62 101.84 43c9 n SER 82 Ca 0.02 -0.93 -0.34 0.00 1.01 0.00 0.00 58.87 58.63 43c9 n SER 82 Cb 0.55 -1.99 0.05 0.00 -1.01 0.00 0.00 64.21 61.82 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 -5.14 3.47 0.30 -3.43 1.43 -1.16 -4.78 118.68 109.37 43c9 s LEU 82 Ca 0.05 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 43c9 s LEU 82 Cb -0.03 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 43c9 s LEU 82 CO 0.89 -1.77 0.13 -1.58 0.23 0.00 0.00 176.35 174.24 43c9 s GLN 83 N -3.77 1.56 0.38 1.70 2.00 -1.26 -1.60 119.66 118.67 43c9 s GLN 83 Ca 0.72 -1.88 0.28 0.00 -2.00 0.00 0.00 55.36 52.48 43c9 s GLN 83 Cb -0.26 -0.25 1.23 0.00 0.80 0.00 0.00 33.01 34.52 43c9 s GLN 83 CO 0.39 -0.38 1.84 1.79 -0.50 0.00 0.00 175.29 178.43 43c9 h THR 84 N 2.23 0.00 -0.00 -0.34 1.35 -1.98 -2.21 112.91 111.97 43c9 h THR 84 Ca -0.36 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 43c9 h THR 84 Cb 1.25 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 43c9 h THR 84 CO 0.57 0.00 -0.08 -0.90 -0.25 0.00 0.00 175.52 174.86 43c9 n ASP 85 N -2.56 0.17 0.04 5.36 5.75 -1.26 -3.46 116.55 120.59 43c9 n ASP 85 Ca 0.01 -0.04 0.14 0.00 -0.01 0.00 0.00 54.79 54.89 43c9 n ASP 85 Cb 0.22 -0.25 0.52 0.00 -1.03 0.00 0.00 41.12 40.58 43c9 n ASP 85 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 43c9 n ASP 86 N -1.30 0.35 -4.75 -1.12 8.00 -0.83 -4.86 116.55 112.04 43c9 n ASP 86 Ca 0.11 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 43c9 n ASP 86 Cb 0.29 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 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 -3.64 6.39 -0.09 -2.24 0.01 -1.22 -4.91 113.70 108.00 43c9 s SER 87 Ca 0.12 2.92 -0.32 0.00 1.31 0.00 0.00 55.95 59.98 43c9 s SER 87 Cb 0.16 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 63.90 43c9 s SER 87 CO 0.56 -0.90 1.42 0.00 0.41 0.00 0.00 173.24 174.72 43c9 s ALA 88 N 0.11 -2.58 -0.30 1.44 0.00 -0.91 -4.86 121.76 114.66 43c9 s ALA 88 Ca 0.64 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 43c9 s ALA 88 Cb -0.47 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 43c9 s ALA 88 CO 0.46 -1.09 0.55 1.41 0.00 0.00 0.00 175.76 177.09 43c9 s MET 89 N -2.03 3.91 -0.01 0.00 -2.45 -0.30 -1.70 119.30 116.73 43c9 s MET 89 Ca 0.20 0.20 -0.17 0.00 -1.25 0.00 0.00 55.69 54.67 43c9 s MET 89 Cb 0.06 -3.71 -0.06 0.00 1.25 0.00 0.00 34.83 32.37 43c9 s MET 89 CO -0.06 -0.49 0.48 0.71 1.05 0.00 0.00 175.02 176.71 43c9 s TYR 90 N 2.43 3.70 0.05 4.11 1.51 -0.06 -0.89 117.35 128.19 43c9 s TYR 90 Ca 0.22 1.06 0.03 0.00 -1.01 0.00 0.00 57.07 57.37 43c9 s TYR 90 Cb -0.15 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 43c9 s TYR 90 CO 0.11 0.49 -0.10 0.71 -1.11 0.00 0.00 175.55 175.65 43c9 s TYR 91 N -0.62 0.89 -0.06 2.71 2.02 0.69 -1.46 117.35 121.52 43c9 s TYR 91 Ca 0.26 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 43c9 s TYR 91 Cb -0.17 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 43c9 s TYR 91 CO 0.14 -0.02 -0.11 0.00 -1.57 0.00 0.00 175.55 173.99 43c9 s VAL 93 N -0.75 0.77 0.07 0.00 1.01 0.14 -1.03 120.40 120.61 43c9 s VAL 93 Ca 0.12 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.87 43c9 s VAL 93 Cb -0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 43c9 s VAL 93 CO 0.01 0.26 -0.16 -0.94 0.00 0.00 0.00 175.10 174.27 43c9 s SER 94 N 0.55 3.99 -0.02 3.32 1.04 0.52 0.45 113.70 123.55 43c9 s SER 94 Ca -0.09 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.91 43c9 s SER 94 Cb -0.12 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.34 43c9 s SER 94 CO 0.01 0.22 -0.03 -0.31 0.98 0.00 0.00 173.24 174.12 43c9 s TYR 95 N -1.05 0.40 0.00 5.02 2.02 0.30 -1.30 117.35 122.75 43c9 s TYR 95 Ca 0.17 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 43c9 s TYR 95 Cb -0.11 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 43c9 s TYR 95 CO 0.08 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 43c9 n GLY 96 N 3.51 0.35 3.85 0.71 0.00 -0.49 -0.17 105.19 112.94 43c9 n GLY 96 Ca -0.19 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 3.19 0.00 1.61 2.02 -1.26 -4.50 117.35 116.41 43c9 s TYR 97 Ca 0.00 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 43c9 s TYR 97 Cb 0.00 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 43c9 s TYR 97 CO 0.00 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 43c9 n GLY 98 N -0.98 2.25 3.05 0.71 0.00 -1.26 -4.95 105.19 104.00 43c9 n GLY 98 Ca -0.08 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 -2.74 0.46 -0.02 0.00 -1.26 -4.85 105.19 96.77 43c9 n GLY 99 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.20 1.37 -3.96 1.61 8.00 -1.26 -4.75 116.55 115.37 43c9 n ASP 100 Ca 0.07 -1.75 -0.09 0.00 0.71 0.00 0.00 54.79 53.73 43c9 n ASP 100 Cb 0.39 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.77 0.33 0.21 -1.24 0.52 -1.26 -5.05 118.95 110.69 43c9 s ARG 100 Ca 0.28 -0.55 0.08 0.00 -0.52 0.00 0.00 55.73 55.02 43c9 s ARG 100 Cb 0.15 0.12 0.14 0.00 0.52 0.00 0.00 34.95 35.87 43c9 s ARG 100 CO 0.22 -0.06 1.48 0.35 0.02 0.00 0.00 175.30 177.31 43c9 h PHE 100 N 4.65 0.05 -3.79 -0.53 3.57 -1.85 -3.45 116.94 115.59 43c9 h PHE 100 Ca -0.31 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.06 43c9 h PHE 100 Cb 1.21 -0.01 -0.15 0.00 2.79 0.00 0.00 35.95 39.79 43c9 h PHE 100 CO 0.64 0.78 -0.43 -1.54 -2.23 0.00 0.00 178.31 175.53 43c9 s SER 101 N -6.82 0.15 -0.08 0.41 1.04 -1.26 -1.39 113.70 105.75 43c9 s SER 101 Ca -0.01 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.82 43c9 s SER 101 Cb 0.12 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.55 43c9 s SER 101 CO 0.79 -0.64 -0.06 -0.31 0.98 0.00 0.00 173.24 174.00 43c9 s TYR 102 N -3.36 1.09 -0.21 5.02 2.02 -0.42 -4.99 117.35 116.51 43c9 s TYR 102 Ca 0.01 -0.43 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 43c9 s TYR 102 Cb 0.03 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 43c9 s TYR 102 CO -0.08 -0.34 0.02 -0.46 -1.57 0.00 0.00 175.55 173.12 43c9 s TRP 103 N 1.36 3.07 1.13 2.71 -0.11 -1.26 -0.35 118.94 125.49 43c9 s TRP 103 Ca -0.03 -0.39 -0.18 0.00 1.22 0.00 0.00 56.10 56.72 43c9 s TRP 103 Cb -0.14 -2.11 0.15 0.00 -1.50 0.00 0.00 33.47 29.87 43c9 s TRP 103 CO -0.03 -0.22 0.17 0.41 -4.62 0.00 0.00 176.95 172.66 43c9 n GLY 104 N 4.31 -2.58 0.14 5.86 0.00 -0.20 -4.90 105.19 107.82 43c9 n GLY 104 Ca -0.17 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.35 0.39 0.00 1.61 4.20 -1.87 -3.47 115.11 113.62 43c9 h GLN 105 Ca -0.48 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 57.71 43c9 h GLN 105 Cb 1.25 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.20 43c9 h GLN 105 CO 0.34 1.20 0.00 0.41 -0.67 0.00 0.00 178.83 180.11 43c9 n GLY 106 N 1.24 2.54 2.75 3.46 0.00 -1.26 -5.06 105.19 108.86 43c9 n GLY 106 Ca -0.09 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.77 -0.14 -0.05 2.61 -1.32 -0.54 -4.68 115.64 108.76 43c9 s THR 107 Ca 0.00 0.36 -0.27 0.00 -1.21 0.00 0.00 61.69 60.57 43c9 s THR 107 Cb 0.00 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 43c9 s THR 107 CO 0.00 0.15 0.86 -0.22 -2.21 0.00 0.00 174.62 173.20 43c9 s LEU 108 N 1.95 4.32 -0.23 9.08 2.96 -1.26 -0.88 118.68 134.62 43c9 s LEU 108 Ca 0.01 1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 55.31 43c9 s LEU 108 Cb -0.12 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.22 43c9 s LEU 108 CO -0.04 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.01 43c9 s VAL 109 N 1.12 3.19 -0.39 1.68 1.01 -0.69 -3.86 120.40 122.46 43c9 s VAL 109 Ca 0.45 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 43c9 s VAL 109 Cb -0.19 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.81 43c9 s VAL 109 CO 0.22 0.37 0.16 -0.89 0.00 0.00 0.00 175.10 174.96 43c9 s THR 110 N 1.43 2.98 -0.35 3.92 2.01 0.67 -2.15 115.64 124.16 43c9 s THR 110 Ca 0.04 -2.18 -0.29 0.00 0.31 0.00 0.00 61.69 59.58 43c9 s THR 110 Cb -0.15 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.30 43c9 s THR 110 CO -0.04 -0.67 1.14 -0.69 -0.69 0.00 0.00 174.62 173.67 43c9 s VAL 111 N 1.03 4.37 0.00 3.82 1.01 -1.26 -0.44 120.40 128.93 43c9 s VAL 111 Ca 0.09 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.61 43c9 s VAL 111 Cb -0.22 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.76 43c9 s VAL 111 CO -0.05 -0.60 0.00 -1.54 0.00 0.00 0.00 175.10 172.91