#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43ca s VAL 2 N 0.00 4.99 -0.03 5.09 1.01 -1.25 -3.88 120.40 126.33 43ca s VAL 2 Ca 0.00 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 43ca s VAL 2 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 43ca s VAL 2 CO 0.00 0.14 0.05 -1.10 0.00 0.00 0.00 175.10 174.19 43ca s GLN 3 N 1.54 -0.02 -0.30 2.72 -0.21 0.16 -4.98 119.66 118.58 43ca s GLN 3 Ca 0.35 0.21 -0.03 0.00 0.02 0.00 0.00 55.36 55.90 43ca s GLN 3 Cb -0.17 -0.22 0.04 0.00 1.00 0.00 0.00 33.01 33.66 43ca s GLN 3 CO 0.14 -0.16 0.02 -0.51 -2.12 0.00 0.00 175.29 172.65 43ca s LEU 4 N 1.02 3.82 -0.27 2.90 1.43 -1.26 -1.09 118.68 125.24 43ca s LEU 4 Ca -0.08 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 43ca s LEU 4 Cb -0.12 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.42 43ca s LEU 4 CO -0.03 -0.24 -0.07 -0.69 0.23 0.00 0.00 176.35 175.55 43ca s VAL 5 N 1.33 2.05 0.15 -1.59 1.01 -0.65 -2.88 120.40 119.82 43ca s VAL 5 Ca -0.03 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.04 43ca s VAL 5 Cb -0.19 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 43ca s VAL 5 CO -0.01 -0.14 0.74 -1.61 0.00 0.00 0.00 175.10 174.08 43ca s GLU 6 N 1.13 4.49 -0.07 2.72 8.01 -1.26 -1.49 118.70 132.24 43ca s GLU 6 Ca -0.05 1.08 -0.00 0.00 0.01 0.00 0.00 54.97 56.00 43ca s GLU 6 Cb -0.20 -3.24 0.02 0.00 -4.31 0.00 0.00 34.13 26.41 43ca s GLU 6 CO -0.06 0.57 -0.04 -1.54 0.01 0.00 0.00 175.26 174.21 43ca s SER 7 N -1.17 1.54 0.00 -0.19 1.04 -0.34 -4.70 113.70 109.88 43ca s SER 7 Ca 0.35 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.62 43ca s SER 7 Cb -0.22 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.34 43ca s SER 7 CO 0.25 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.96 43ca n GLY 8 N 4.70 4.46 0.12 7.32 0.00 -1.26 -2.07 105.19 118.46 43ca n GLY 8 Ca -0.14 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.19 43ca n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 43ca h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.50 132.00 128.36 43ca h PRO 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 43ca h PRO 9 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 43ca h PRO 9 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 43ca n GLY 10 N 1.22 2.60 3.75 1.56 0.00 -1.24 -4.78 105.19 108.31 43ca n GLY 10 Ca 0.02 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 43ca n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43ca s LEU 11 N 0.00 4.40 -0.11 0.99 1.43 -1.26 -1.72 118.68 122.42 43ca s LEU 11 Ca 0.00 2.64 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 43ca s LEU 11 Cb 0.00 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.63 43ca s LEU 11 CO 0.00 -0.63 0.42 -0.69 0.23 0.00 0.00 176.35 175.68 43ca s VAL 12 N -0.34 0.02 0.37 -1.59 1.01 0.22 -4.93 120.40 115.17 43ca s VAL 12 Ca 0.56 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 43ca s VAL 12 Cb -0.40 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 43ca s VAL 12 CO 0.46 -0.08 0.83 0.00 0.00 0.00 0.00 175.10 176.30 43ca s ALA 13 N -0.39 3.20 1.09 5.51 0.00 -1.25 -0.79 121.76 129.14 43ca s ALA 13 Ca -0.05 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 43ca s ALA 13 Cb -0.03 -2.93 0.21 0.00 0.00 0.00 0.00 23.12 20.37 43ca s ALA 13 CO 0.03 0.25 0.83 -2.30 0.00 0.00 0.00 175.76 174.56 43ca n PRO 14 N -0.48 -1.71 -2.11 0.00 -0.02 -1.26 -3.37 135.00 126.06 43ca n PRO 14 Ca 0.05 -0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 60.95 43ca n PRO 14 Cb 0.53 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 43ca n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 43ca n SER 15 N -3.97 -3.58 -4.64 2.55 3.41 0.02 -4.89 113.62 102.51 43ca n SER 15 Ca 0.05 0.23 -0.24 0.00 -0.26 0.00 0.00 58.87 58.65 43ca n SER 15 Cb 0.55 -3.15 -0.08 0.00 -0.26 0.00 0.00 64.21 61.27 43ca n SER 15 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 43ca s GLN 16 N -4.41 2.11 -0.03 4.33 0.74 -1.22 -4.76 119.66 116.43 43ca s GLN 16 Ca 0.00 -1.72 -0.08 0.00 0.05 0.00 0.00 55.36 53.60 43ca s GLN 16 Cb 0.00 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 43ca s GLN 16 CO 0.00 0.13 0.26 -1.54 -0.55 0.00 0.00 175.29 173.59 43ca s SER 17 N -3.73 6.53 0.09 6.67 1.04 -1.26 -2.37 113.70 120.66 43ca s SER 17 Ca 0.35 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 43ca s SER 17 Cb -0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 43ca s SER 17 CO 0.20 0.31 0.28 -0.22 0.98 0.00 0.00 173.24 174.78 43ca s LEU 18 N -1.43 4.32 -0.18 2.42 2.96 -0.36 -4.98 118.68 121.44 43ca s LEU 18 Ca 0.23 0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 43ca s LEU 18 Cb -0.14 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.54 43ca s LEU 18 CO 0.12 0.13 0.42 -0.44 -1.32 0.00 0.00 176.35 175.26 43ca s SER 19 N -2.44 -0.43 0.08 3.68 0.01 -1.26 -1.78 113.70 111.57 43ca s SER 19 Ca 0.37 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.61 43ca s SER 19 Cb -0.13 0.97 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 43ca s SER 19 CO 0.26 -0.21 -0.13 -0.63 0.41 0.00 0.00 173.24 172.95 43ca s ILE 20 N 1.81 1.05 -0.10 1.44 1.01 -0.84 -4.45 121.20 121.11 43ca s ILE 20 Ca -0.07 -1.43 -0.00 0.00 0.00 0.00 0.00 60.65 59.15 43ca s ILE 20 Cb -0.10 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.23 43ca s ILE 20 CO -0.13 -0.35 -0.06 -0.89 0.00 0.00 0.00 174.94 173.51 43ca s THR 21 N -1.71 0.89 -0.38 2.92 2.01 -0.88 -1.95 115.64 116.54 43ca s THR 21 Ca 0.01 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 43ca s THR 21 Cb -0.07 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.51 43ca s THR 21 CO 0.02 0.34 0.27 0.00 -0.69 0.00 0.00 174.62 174.56 43ca s THR 23 N 1.70 4.51 -0.09 0.00 2.01 -0.55 -0.81 115.64 122.41 43ca s THR 23 Ca 0.05 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 43ca s THR 23 Cb -0.18 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 43ca s THR 23 CO 0.10 -0.07 0.21 -0.69 -0.69 0.00 0.00 174.62 173.49 43ca s VAL 24 N 1.57 5.38 -0.00 3.82 1.01 -0.45 -1.63 120.40 130.10 43ca s VAL 24 Ca 0.03 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.40 43ca s VAL 24 Cb -0.18 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 43ca s VAL 24 CO 0.06 0.60 -0.04 -0.94 0.00 0.00 0.00 175.10 174.78 43ca s SER 25 N -0.98 0.44 0.00 3.32 1.04 -0.25 -4.81 113.70 112.47 43ca s SER 25 Ca 0.17 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.53 43ca s SER 25 Cb -0.13 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.94 43ca s SER 25 CO 0.06 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.93 43ca n GLY 26 N 2.97 0.50 3.65 7.32 0.00 -1.25 -0.67 105.19 117.72 43ca n GLY 26 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 43ca n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 43ca s ILE 27 N -2.16 0.00 -0.18 -0.61 -4.36 -1.26 -4.66 121.20 107.96 43ca s ILE 27 Ca 0.00 -1.30 -0.08 0.00 -0.26 0.00 0.00 60.65 59.00 43ca s ILE 27 Cb 0.00 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 43ca s ILE 27 CO 0.00 0.00 0.10 -0.55 0.24 0.00 0.00 174.94 174.73 43ca s SER 28 N -3.06 6.01 0.00 4.36 0.15 -1.26 -4.96 113.70 114.94 43ca s SER 28 Ca 0.21 0.21 0.20 0.00 0.70 0.00 0.00 55.95 57.26 43ca s SER 28 Cb -0.02 -2.02 0.95 0.00 -1.71 0.00 0.00 66.02 63.21 43ca s SER 28 CO 0.12 0.21 1.62 0.18 1.20 0.00 0.00 173.24 176.57 43ca n LEU 29 N 3.28 0.00 -0.01 3.45 4.32 -1.26 -1.92 117.00 124.86 43ca n LEU 29 Ca -0.17 0.34 -0.21 0.00 -0.02 0.00 0.00 56.01 55.95 43ca n LEU 29 Cb 0.52 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 41.85 43ca n LEU 29 CO 0.35 -0.12 -0.50 0.28 -1.22 0.00 0.00 177.39 176.18 43ca h SER 30 N 0.00 0.33 0.51 -1.43 0.02 -1.93 -3.38 113.55 107.67 43ca h SER 30 Ca 0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 43ca h SER 30 Cb 0.22 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.66 43ca h SER 30 CO 0.00 1.64 -0.24 0.03 -1.14 0.00 0.00 176.83 177.12 43ca h ARG 31 N -0.34 -0.66 -7.20 3.45 -0.00 -1.79 -3.35 114.38 104.50 43ca h ARG 31 Ca -0.33 0.04 -0.49 0.00 -0.50 0.00 0.00 59.98 58.71 43ca h ARG 31 Cb 1.74 0.15 0.05 0.00 0.00 0.00 0.00 29.97 31.92 43ca h ARG 31 CO 0.03 -0.44 0.38 0.71 0.00 0.00 0.00 179.97 180.65 43ca s TYR 32 N -3.81 3.10 -0.03 3.04 1.51 -0.81 -4.60 117.35 115.76 43ca s TYR 32 Ca -0.10 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 57.43 43ca s TYR 32 Cb 0.01 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.87 43ca s TYR 32 CO 0.30 -0.94 0.14 -0.80 -1.11 0.00 0.00 175.55 173.13 43ca s ASN 33 N -2.87 6.12 -0.09 2.29 0.01 -0.46 -2.78 114.94 117.17 43ca s ASN 33 Ca 0.62 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 53.09 43ca s ASN 33 Cb -0.15 -1.88 0.01 0.00 0.41 0.00 0.00 41.25 39.65 43ca s ASN 33 CO 0.36 0.29 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.41 43ca s VAL 34 N -1.23 1.35 0.17 1.60 1.01 -0.82 -1.42 120.40 121.06 43ca s VAL 34 Ca 0.24 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.72 43ca s VAL 34 Cb -0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 43ca s VAL 34 CO 0.15 0.41 -0.05 -1.00 0.00 0.00 0.00 175.10 174.60 43ca s HIS 35 N 0.81 2.73 -0.20 5.22 3.76 0.69 -1.08 115.29 127.22 43ca s HIS 35 Ca -0.11 -0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 43ca s HIS 35 Cb -0.16 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.18 43ca s HIS 35 CO 0.02 0.51 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.79 43ca s TRP 36 N -1.67 2.95 -0.02 1.40 0.52 -0.34 -0.75 118.94 121.03 43ca s TRP 36 Ca 0.26 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.64 43ca s TRP 36 Cb -0.09 -2.05 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 43ca s TRP 36 CO 0.17 -0.41 -0.10 0.08 0.02 0.00 0.00 176.95 176.70 43ca s VAL 37 N 1.16 0.86 0.26 4.03 1.01 0.11 -0.44 120.40 127.38 43ca s VAL 37 Ca 0.02 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.69 43ca s VAL 37 Cb -0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 43ca s VAL 37 CO -0.01 0.26 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 43ca s ARG 38 N 0.08 2.07 -0.06 2.72 1.70 -0.51 0.29 118.95 125.23 43ca s ARG 38 Ca -0.02 -1.51 -0.10 0.00 -0.47 0.00 0.00 55.73 53.63 43ca s ARG 38 Cb -0.08 -2.04 0.02 0.00 -0.57 0.00 0.00 34.95 32.29 43ca s ARG 38 CO 0.00 0.36 0.25 -1.14 -1.08 0.00 0.00 175.30 173.70 43ca s GLN 39 N -3.51 0.42 -0.06 3.89 0.74 -0.18 -1.10 119.66 119.87 43ca s GLN 39 Ca 0.30 0.10 -0.23 0.00 0.05 0.00 0.00 55.36 55.58 43ca s GLN 39 Cb -0.06 0.19 0.05 0.00 1.10 0.00 0.00 33.01 34.29 43ca s GLN 39 CO 0.18 -0.08 0.52 -1.54 -0.55 0.00 0.00 175.29 173.81 43ca s SER 40 N -0.47 -0.47 0.21 6.67 1.04 -0.91 -1.02 113.70 118.74 43ca s SER 40 Ca -0.06 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.80 43ca s SER 40 Cb -0.04 0.53 0.26 0.00 0.10 0.00 0.00 66.02 66.87 43ca s SER 40 CO 0.01 -0.49 1.78 -0.65 0.98 0.00 0.00 173.24 174.87 43ca h PRO 41 N 3.63 0.53 -0.22 4.02 0.11 -1.97 0.20 132.00 138.31 43ca h PRO 41 Ca -0.28 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.64 43ca h PRO 41 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 43ca h PRO 41 CO 0.36 0.35 -0.50 0.78 -0.21 0.00 0.00 178.00 178.79 43ca h GLY 42 N 0.55 0.65 -0.38 -0.55 0.00 -1.99 -3.31 103.07 98.04 43ca h GLY 42 Ca 0.30 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.91 43ca h GLY 42 CO -0.24 0.64 -0.78 0.28 0.00 0.00 0.00 176.54 176.45 43ca n LYS 43 N -3.99 0.58 0.00 4.80 5.02 -1.14 -5.09 118.16 118.34 43ca n LYS 43 Ca -0.03 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 43ca n LYS 43 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 43ca n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 43ca n GLY 44 N 1.45 -0.54 3.73 0.72 0.00 0.71 -4.70 105.19 106.56 43ca n GLY 44 Ca 0.06 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 43ca n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43ca s LEU 45 N 0.00 4.41 -0.04 0.99 1.43 -1.26 -2.15 118.68 122.05 43ca s LEU 45 Ca 0.00 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 43ca s LEU 45 Cb 0.00 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.90 43ca s LEU 45 CO 0.00 -0.09 -0.09 -1.61 0.23 0.00 0.00 176.35 174.78 43ca s GLU 46 N 0.40 1.22 -0.24 1.70 2.02 -0.26 -5.01 118.70 118.53 43ca s GLU 46 Ca 0.43 -0.31 -0.20 0.00 0.02 0.00 0.00 54.97 54.91 43ca s GLU 46 Cb -0.20 -1.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 43ca s GLU 46 CO 0.24 0.05 0.60 -0.46 0.02 0.00 0.00 175.26 175.70 43ca s TRP 47 N 0.51 3.30 -0.17 1.61 -0.00 -1.26 -1.43 118.94 121.51 43ca s TRP 47 Ca -0.09 0.79 -0.24 0.00 -0.00 0.00 0.00 56.10 56.56 43ca s TRP 47 Cb -0.13 -2.79 -0.23 0.00 -0.00 0.00 0.00 33.47 30.32 43ca s TRP 47 CO 0.02 -0.27 0.48 -0.07 -0.00 0.00 0.00 176.95 177.11 43ca h LEU 48 N 8.69 0.04 0.00 5.86 3.38 -1.13 -3.42 115.31 128.73 43ca h LEU 48 Ca -0.29 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 56.94 43ca h LEU 48 Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.87 43ca h LEU 48 CO 0.76 1.30 0.00 0.61 0.09 0.00 0.00 178.44 181.20 43ca n GLY 49 N 1.54 -1.33 3.55 0.83 0.00 -1.16 -0.51 105.19 108.11 43ca n GLY 49 Ca -0.22 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 43ca n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 43ca s MET 50 N -0.77 1.32 -0.12 1.61 0.23 -0.85 -1.20 119.30 119.53 43ca s MET 50 Ca 0.00 -0.57 -0.03 0.00 -1.03 0.00 0.00 55.69 54.05 43ca s MET 50 Cb 0.00 0.55 0.05 0.00 -1.53 0.00 0.00 34.83 33.90 43ca s MET 50 CO 0.00 -0.59 0.07 -1.50 -2.03 0.00 0.00 175.02 170.97 43ca s ILE 51 N -3.67 0.01 0.57 3.16 2.07 -0.24 -1.27 121.20 121.83 43ca s ILE 51 Ca 0.04 0.01 -0.19 0.00 -1.41 0.00 0.00 60.65 59.10 43ca s ILE 51 Cb -0.02 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 43ca s ILE 51 CO -0.07 -0.07 1.18 0.26 -1.91 0.00 0.00 174.94 174.33 43ca s TRP 52 N 2.10 2.51 0.43 3.50 0.52 0.11 -1.94 118.94 126.17 43ca s TRP 52 Ca 0.03 1.52 0.20 0.00 0.02 0.00 0.00 56.10 57.87 43ca s TRP 52 Cb -0.14 -3.42 1.14 0.00 -1.15 0.00 0.00 33.47 29.89 43ca s TRP 52 CO -0.07 -1.98 1.83 0.78 0.02 0.00 0.00 176.95 177.53 43ca h GLY 53 N 1.08 0.88 -5.73 0.98 0.00 -1.68 0.13 103.07 98.73 43ca h GLY 53 Ca -0.50 -0.17 -0.75 0.00 0.00 0.00 0.00 47.33 45.91 43ca h GLY 53 CO 0.56 -0.05 1.99 0.61 0.00 0.00 0.00 176.54 179.66 43ca n GLY 54 N -1.53 5.41 3.02 4.60 0.00 -1.25 -4.46 105.19 110.98 43ca n GLY 54 Ca 0.22 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.06 43ca n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43ca n GLY 55 N 1.23 0.00 3.77 -0.02 0.00 0.45 -4.93 105.19 105.69 43ca n GLY 55 Ca 0.58 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.21 43ca n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 43ca s SER 56 N -0.07 6.28 -0.12 1.61 0.15 -1.25 -4.70 113.70 115.60 43ca s SER 56 Ca 0.00 2.67 0.02 0.00 0.70 0.00 0.00 55.95 59.34 43ca s SER 56 Cb 0.00 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 43ca s SER 56 CO 0.00 -0.87 -0.17 -0.63 1.20 0.00 0.00 173.24 172.77 43ca s ILE 57 N -1.26 1.66 0.23 6.45 1.01 -1.26 -0.71 121.20 127.32 43ca s ILE 57 Ca 0.57 -0.74 0.11 0.00 0.00 0.00 0.00 60.65 60.59 43ca s ILE 57 Cb -0.38 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 43ca s ILE 57 CO 0.49 0.47 -0.15 -1.61 0.00 0.00 0.00 174.94 174.15 43ca s GLU 58 N 0.95 1.84 0.23 2.79 2.02 -0.39 -5.00 118.70 121.14 43ca s GLU 58 Ca -0.06 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.44 43ca s GLU 58 Cb -0.15 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 43ca s GLU 58 CO -0.02 0.38 -0.01 0.71 0.02 0.00 0.00 175.26 176.34 43ca s TYR 59 N -2.07 1.56 -0.25 1.61 2.02 -1.26 -2.00 117.35 116.95 43ca s TYR 59 Ca 0.27 -0.90 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 43ca s TYR 59 Cb -0.07 -0.90 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 43ca s TYR 59 CO 0.15 -0.02 1.06 1.21 -1.57 0.00 0.00 175.55 176.37 43ca s ASN 60 N -3.30 7.05 0.28 2.29 3.84 0.34 -4.86 114.94 120.56 43ca s ASN 60 Ca 0.28 1.30 -0.04 0.00 0.21 0.00 0.00 52.86 54.61 43ca s ASN 60 Cb 0.05 -2.54 0.56 0.00 -0.55 0.00 0.00 41.25 38.77 43ca s ASN 60 CO 0.08 -0.73 1.60 1.55 -2.79 0.00 0.00 177.10 176.81 43ca h PRO 61 N 7.66 0.04 -0.82 0.43 0.13 -1.94 0.18 132.00 137.67 43ca h PRO 61 Ca -0.20 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.98 43ca h PRO 61 Cb 1.06 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 43ca h PRO 61 CO 0.99 0.03 0.51 0.00 -0.23 0.00 0.00 178.00 179.31 43ca h ALA 62 N 1.87 1.11 -0.31 -0.56 0.00 -1.98 -2.63 119.26 116.76 43ca h ALA 62 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 43ca h ALA 62 Cb 0.92 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 43ca h ALA 62 CO -0.83 0.28 0.00 1.28 0.00 0.00 0.00 179.25 179.97 43ca n LEU 63 N -4.62 3.28 -0.19 0.00 4.77 -0.64 -4.33 117.00 115.26 43ca n LEU 63 Ca 0.11 -1.35 0.13 0.00 -0.03 0.00 0.00 56.01 54.87 43ca n LEU 63 Cb 0.15 -0.19 0.44 0.00 -2.33 0.00 0.00 43.42 41.48 43ca n LEU 63 CO 0.32 0.68 1.21 0.50 -1.33 0.00 0.00 177.39 178.76 43ca h LYS 64 N 4.40 0.54 -0.98 3.23 3.64 -0.29 -0.54 116.57 126.57 43ca h LYS 64 Ca 0.00 -0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.58 43ca h LYS 64 Cb 0.96 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 43ca h LYS 64 CO 0.00 0.36 0.63 1.03 -2.27 0.00 0.00 179.45 179.20 43ca h SER 65 N 0.56 0.48 -0.00 4.20 0.87 -1.76 -2.93 113.55 114.97 43ca h SER 65 Ca 0.38 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 43ca h SER 65 Cb 0.69 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 43ca h SER 65 CO -0.14 0.15 -0.00 0.54 -0.53 0.00 0.00 176.83 176.85 43ca n ARG 66 N -4.60 -0.29 -2.87 2.24 1.74 -0.39 -5.01 116.66 107.49 43ca n ARG 66 Ca 0.23 -0.51 -0.22 0.00 -0.77 0.00 0.00 57.85 56.57 43ca n ARG 66 Cb 0.76 -0.98 0.02 0.00 -1.02 0.00 0.00 32.46 31.24 43ca n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 43ca s LEU 67 N -0.23 3.52 -0.30 0.55 1.43 -0.35 -1.75 118.68 121.55 43ca s LEU 67 Ca 0.01 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 43ca s LEU 67 Cb 0.01 -3.05 0.16 0.00 0.03 0.00 0.00 46.19 43.34 43ca s LEU 67 CO 0.01 -0.86 0.75 -0.55 0.23 0.00 0.00 176.35 175.94 43ca s SER 68 N -4.29 -1.01 0.03 2.29 0.15 -0.53 -4.95 113.70 105.38 43ca s SER 68 Ca 0.52 1.11 0.09 0.00 0.70 0.00 0.00 55.95 58.37 43ca s SER 68 Cb -0.10 2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 66.22 43ca s SER 68 CO 0.38 -0.19 -0.26 -0.63 1.20 0.00 0.00 173.24 173.74 43ca s ILE 69 N 2.79 2.10 0.18 6.45 1.01 -1.26 -0.84 121.20 131.62 43ca s ILE 69 Ca 0.02 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.09 43ca s ILE 69 Cb -0.11 -1.78 0.05 0.00 0.01 0.00 0.00 42.46 40.63 43ca s ILE 69 CO -0.18 0.39 0.85 -0.94 0.00 0.00 0.00 174.94 175.05 43ca s SER 70 N -1.13 -0.26 0.17 3.58 1.04 -0.87 -5.00 113.70 111.23 43ca s SER 70 Ca 0.11 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 43ca s SER 70 Cb -0.10 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.59 43ca s SER 70 CO 0.02 -1.02 0.37 -1.59 0.98 0.00 0.00 173.24 172.00 43ca s LYS 71 N -3.51 1.24 -0.26 4.02 -2.85 -1.26 -0.64 119.74 116.48 43ca s LYS 71 Ca 0.10 -1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 53.98 43ca s LYS 71 Cb -0.03 0.43 0.10 0.00 -2.06 0.00 0.00 37.83 36.27 43ca s LYS 71 CO 0.01 -0.48 0.15 0.34 0.10 0.00 0.00 175.35 175.47 43ca s ASP 72 N -2.93 2.90 0.51 0.03 2.15 -0.44 -5.01 116.67 113.90 43ca s ASP 72 Ca 0.14 -1.01 0.24 0.00 0.43 0.00 0.00 52.55 52.35 43ca s ASP 72 Cb 0.02 -0.17 1.40 0.00 -0.30 0.00 0.00 42.92 43.87 43ca s ASP 72 CO -0.01 -0.41 2.09 0.78 -0.17 0.00 0.00 175.17 177.45 43ca h ASN 73 N 8.39 0.00 0.07 -0.34 2.35 -1.96 -2.03 115.58 122.05 43ca h ASN 73 Ca -0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 43ca h ASN 73 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 43ca h ASN 73 CO 0.38 0.11 -0.05 0.28 -1.65 0.00 0.00 177.43 176.50 43ca h SER 74 N 0.00 -0.14 0.00 5.81 0.02 -1.95 -2.75 113.55 114.53 43ca h SER 74 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 43ca h SER 74 Cb 0.26 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.84 43ca h SER 74 CO 0.01 -0.08 0.00 0.29 -1.14 0.00 0.00 176.83 175.92 43ca n LYS 75 N -2.55 0.94 -3.98 3.45 5.02 -1.18 -4.90 118.16 114.97 43ca n LYS 75 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.94 43ca n LYS 75 Cb 0.05 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 43ca n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 43ca n SER 76 N -0.32 -2.32 -3.77 4.39 7.64 -0.81 -4.83 113.62 113.60 43ca n SER 76 Ca 0.00 -1.13 -0.13 0.00 1.01 0.00 0.00 58.87 58.62 43ca n SER 76 Cb 0.08 -2.54 -0.09 0.00 -1.01 0.00 0.00 64.21 60.66 43ca n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 43ca s GLN 77 N -6.77 0.67 0.00 1.43 -2.07 -0.92 -1.34 119.66 110.66 43ca s GLN 77 Ca 0.25 -0.23 0.07 0.00 -1.82 0.00 0.00 55.36 53.62 43ca s GLN 77 Cb -0.11 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 43ca s GLN 77 CO 0.92 -0.19 -0.22 0.42 -1.32 0.00 0.00 175.29 174.90 43ca s ILE 78 N -1.45 2.43 0.02 3.63 1.09 0.01 -1.32 121.20 125.61 43ca s ILE 78 Ca -0.13 -1.11 0.09 0.00 -1.10 0.00 0.00 60.65 58.40 43ca s ILE 78 Cb -0.05 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.40 43ca s ILE 78 CO 0.03 0.49 -0.25 -0.36 -0.10 0.00 0.00 174.94 174.75 43ca s PHE 79 N -0.74 2.24 0.08 3.97 0.08 0.19 -0.50 117.98 123.31 43ca s PHE 79 Ca 0.12 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 56.84 43ca s PHE 79 Cb -0.10 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 43ca s PHE 79 CO 0.01 0.07 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.81 43ca s LEU 80 N -1.01 2.25 -0.10 -0.37 0.20 -0.82 -2.06 118.68 116.77 43ca s LEU 80 Ca 0.11 -0.64 -0.05 0.00 0.69 0.00 0.00 54.13 54.24 43ca s LEU 80 Cb -0.10 -0.98 0.05 0.00 -0.43 0.00 0.00 46.19 44.72 43ca s LEU 80 CO 0.01 0.12 0.23 -0.75 -0.29 0.00 0.00 176.35 175.67 43ca s LYS 81 N -1.65 0.19 0.00 1.98 2.20 -0.02 -1.99 119.74 120.44 43ca s LYS 81 Ca 0.08 0.51 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 43ca s LYS 81 Cb -0.10 -0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 43ca s LYS 81 CO 0.04 -0.16 -0.11 1.41 -0.36 0.00 0.00 175.35 176.16 43ca s MET 82 N 1.25 0.88 0.28 4.03 1.75 -0.74 -1.46 119.30 125.30 43ca s MET 82 Ca -0.09 -0.48 0.07 0.00 -1.25 0.00 0.00 55.69 53.93 43ca s MET 82 Cb -0.11 -0.85 -0.03 0.00 2.84 0.00 0.00 34.83 36.68 43ca s MET 82 CO -0.08 0.23 0.25 -0.80 -0.65 0.00 0.00 175.02 173.96 43ca s ASN 82 N -0.49 5.55 -1.21 1.11 0.01 -0.72 -1.22 114.94 117.96 43ca s ASN 82 Ca 0.03 -0.29 -0.28 0.00 -0.71 0.00 0.00 52.86 51.61 43ca s ASN 82 Cb -0.05 -1.32 0.03 0.00 0.41 0.00 0.00 41.25 40.31 43ca s ASN 82 CO -0.00 -0.14 0.68 -1.20 -1.51 0.00 0.00 177.10 174.93 43ca n SER 82 N -1.27 -4.17 -4.62 -1.22 7.64 -1.25 -4.83 113.62 103.89 43ca n SER 82 Ca -0.06 -1.21 -0.45 0.00 1.01 0.00 0.00 58.87 58.17 43ca n SER 82 Cb 0.58 -2.22 -0.02 0.00 -1.01 0.00 0.00 64.21 61.54 43ca n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 43ca n LEU 82 N -4.77 2.33 -4.63 -3.43 4.77 -1.00 -4.65 117.00 105.63 43ca n LEU 82 Ca -0.12 1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 56.78 43ca n LEU 82 Cb 0.58 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.23 43ca n LEU 82 CO 0.73 -1.06 -0.30 -1.10 -1.33 0.00 0.00 177.39 174.33 43ca s GLN 83 N -1.34 2.02 0.38 3.23 -0.21 -1.26 -0.80 119.66 121.67 43ca s GLN 83 Ca 0.61 -1.88 0.28 0.00 0.02 0.00 0.00 55.36 54.39 43ca s GLN 83 Cb -0.68 -1.83 1.22 0.00 1.00 0.00 0.00 33.01 32.72 43ca s GLN 83 CO 0.58 0.06 1.84 1.79 -2.12 0.00 0.00 175.29 177.44 43ca h THR 84 N 1.79 0.00 0.00 -0.19 1.35 -1.95 -1.04 112.91 112.87 43ca h THR 84 Ca -0.43 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 43ca h THR 84 Cb 1.25 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 43ca h THR 84 CO 0.71 0.00 -0.12 0.44 -0.25 0.00 0.00 175.52 176.30 43ca h ASP 85 N 0.00 0.00 0.33 5.36 3.32 -1.94 -3.04 116.42 120.45 43ca h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 43ca h ASP 85 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 43ca h ASP 85 CO 0.00 0.12 0.00 0.47 -1.72 0.00 0.00 179.24 178.11 43ca n ASP 86 N -3.20 0.00 -4.76 6.45 8.00 -0.39 -4.84 116.55 117.80 43ca n ASP 86 Ca 0.01 -0.46 -0.41 0.00 0.71 0.00 0.00 54.79 54.64 43ca n ASP 86 Cb 0.44 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 43ca n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 43ca s SER 87 N -2.34 6.44 0.00 -2.24 0.01 -1.15 -4.90 113.70 109.52 43ca s SER 87 Ca 0.35 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.52 43ca s SER 87 Cb 0.20 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.79 43ca s SER 87 CO 0.41 -0.83 0.00 0.00 0.41 0.00 0.00 173.24 173.23 43ca n ALA 88 N 1.50 0.00 -2.57 1.44 0.00 -0.28 -4.89 120.51 115.71 43ca n ALA 88 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 43ca n ALA 88 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 43ca n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 43ca s MET 89 N -2.00 3.74 -0.18 0.00 -2.45 -0.19 -0.45 119.30 117.76 43ca s MET 89 Ca 0.00 -0.28 -0.12 0.00 -1.25 0.00 0.00 55.69 54.04 43ca s MET 89 Cb 0.00 -3.74 -0.05 0.00 1.25 0.00 0.00 34.83 32.29 43ca s MET 89 CO 0.00 -0.41 0.21 0.71 1.05 0.00 0.00 175.02 176.58 43ca s TYR 90 N 1.99 3.43 0.14 4.11 1.51 0.29 -1.01 117.35 127.81 43ca s TYR 90 Ca 0.12 0.45 0.08 0.00 -1.01 0.00 0.00 57.07 56.71 43ca s TYR 90 Cb -0.16 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 43ca s TYR 90 CO 0.11 0.25 -0.18 0.71 -1.11 0.00 0.00 175.55 175.32 43ca s TYR 91 N 0.47 1.74 -0.11 2.71 2.02 0.15 -1.16 117.35 123.16 43ca s TYR 91 Ca 0.12 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 43ca s TYR 91 Cb -0.12 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 43ca s TYR 91 CO 0.01 0.26 -0.16 0.00 -1.57 0.00 0.00 175.55 174.09 43ca s VAL 93 N 0.25 1.45 0.05 0.00 1.01 0.07 -1.34 120.40 121.89 43ca s VAL 93 Ca -0.11 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.19 43ca s VAL 93 Cb -0.16 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 43ca s VAL 93 CO 0.06 0.42 -0.17 -0.94 0.00 0.00 0.00 175.10 174.46 43ca s SER 94 N -0.13 3.85 -0.04 3.32 1.04 0.29 -0.22 113.70 121.81 43ca s SER 94 Ca -0.00 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.02 43ca s SER 94 Cb -0.10 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.40 43ca s SER 94 CO 0.01 0.25 -0.07 -0.31 0.98 0.00 0.00 173.24 174.10 43ca s TYR 95 N -0.95 0.87 0.00 5.02 2.02 -0.51 -1.25 117.35 122.55 43ca s TYR 95 Ca 0.15 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 43ca s TYR 95 Cb -0.11 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 43ca s TYR 95 CO 0.06 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 43ca n GLY 96 N 3.76 1.92 3.81 0.71 0.00 0.24 -1.35 105.19 114.28 43ca n GLY 96 Ca -0.23 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 43ca n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 43ca s TYR 97 N -2.00 3.80 0.00 1.61 2.02 -1.26 -3.97 117.35 117.56 43ca s TYR 97 Ca 0.00 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 43ca s TYR 97 Cb 0.00 -2.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 43ca s TYR 97 CO 0.00 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 43ca n GLY 98 N 1.54 -0.54 3.06 0.71 0.00 -1.26 -4.86 105.19 103.85 43ca n GLY 98 Ca -0.08 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 43ca n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43ca n GLY 99 N 0.00 -2.48 0.64 -0.02 0.00 -1.26 -4.69 105.19 97.38 43ca n GLY 99 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 43ca n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 43ca n ASP 100 N -0.82 0.95 -3.66 1.61 8.00 -1.26 -4.62 116.55 116.75 43ca n ASP 100 Ca 0.04 -1.23 -0.15 0.00 0.71 0.00 0.00 54.79 54.16 43ca n ASP 100 Cb 0.43 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 43ca n ASP 100 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 43ca s ARG 100 N -0.62 0.78 -0.12 -1.24 3.52 -1.26 -5.06 118.95 114.95 43ca s ARG 100 Ca 0.00 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.59 43ca s ARG 100 Cb 0.00 0.37 -0.27 0.00 -1.56 0.00 0.00 34.95 33.48 43ca s ARG 100 CO 0.00 -0.20 0.77 0.35 -0.81 0.00 0.00 175.30 175.42 43ca h PHE 100 N 4.04 0.15 -3.32 5.12 3.57 -1.82 -3.42 116.94 121.27 43ca h PHE 100 Ca -0.28 -0.11 -0.62 0.00 3.53 0.00 0.00 57.97 60.49 43ca h PHE 100 Cb 1.16 -0.01 -0.19 0.00 2.79 0.00 0.00 35.95 39.71 43ca h PHE 100 CO 0.43 1.11 -0.82 -1.54 -2.23 0.00 0.00 178.31 175.27 43ca s SER 101 N -6.46 3.20 -0.12 0.41 1.04 -1.26 0.83 113.70 111.34 43ca s SER 101 Ca -0.18 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.39 43ca s SER 101 Cb -0.01 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.92 43ca s SER 101 CO 0.72 0.09 0.00 -0.31 0.98 0.00 0.00 173.24 174.73 43ca s TYR 102 N -1.67 0.91 -0.19 5.02 2.02 -0.38 -4.98 117.35 118.07 43ca s TYR 102 Ca 0.18 -0.50 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 43ca s TYR 102 Cb -0.08 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 43ca s TYR 102 CO 0.08 -0.46 0.29 -0.46 -1.57 0.00 0.00 175.55 173.44 43ca s TRP 103 N 1.90 3.40 0.00 2.71 -0.11 -1.26 -0.55 118.94 125.02 43ca s TRP 103 Ca 0.03 0.51 0.00 0.00 1.22 0.00 0.00 56.10 57.86 43ca s TRP 103 Cb -0.14 -2.37 0.00 0.00 -1.50 0.00 0.00 33.47 29.45 43ca s TRP 103 CO -0.07 0.13 0.00 0.41 -4.62 0.00 0.00 176.95 172.80 43ca n GLY 104 N 3.75 -3.36 0.08 5.86 0.00 -0.45 -4.87 105.19 106.20 43ca n GLY 104 Ca -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 43ca n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 43ca n GLN 105 N -1.64 0.65 0.00 1.61 6.02 -1.14 -4.98 117.38 117.90 43ca n GLN 105 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 43ca n GLN 105 Cb 0.00 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.59 43ca n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 43ca n GLY 106 N 1.51 0.78 2.98 1.08 0.00 -1.26 -5.05 105.19 105.24 43ca n GLY 106 Ca -0.17 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 43ca n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 43ca s THR 107 N -2.92 -0.21 -0.07 2.61 -1.32 -0.31 -4.65 115.64 108.78 43ca s THR 107 Ca 0.00 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.42 43ca s THR 107 Cb 0.00 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.60 43ca s THR 107 CO 0.00 0.10 0.99 -0.22 -2.21 0.00 0.00 174.62 173.28 43ca s LEU 108 N 1.83 4.29 -0.28 9.08 2.96 -1.26 -0.54 118.68 134.75 43ca s LEU 108 Ca -0.04 1.57 -0.03 0.00 -0.22 0.00 0.00 54.13 55.42 43ca s LEU 108 Cb -0.11 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.05 43ca s LEU 108 CO -0.08 -0.38 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.88 43ca s VAL 109 N 1.64 3.15 -0.32 1.68 1.01 0.40 -3.59 120.40 124.37 43ca s VAL 109 Ca 0.49 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 43ca s VAL 109 Cb -0.19 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.55 43ca s VAL 109 CO 0.22 0.05 0.05 -0.89 0.00 0.00 0.00 175.10 174.52 43ca s THR 110 N 1.33 3.22 -0.21 3.92 2.01 -0.70 -1.13 115.64 124.08 43ca s THR 110 Ca -0.01 -1.40 -0.14 0.00 0.31 0.00 0.00 61.69 60.45 43ca s THR 110 Cb -0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 43ca s THR 110 CO -0.02 -0.19 0.30 -0.69 -0.69 0.00 0.00 174.62 173.33 43ca s VAL 111 N 1.28 5.27 0.00 3.82 1.01 -1.26 -0.61 120.40 129.92 43ca s VAL 111 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.44 43ca s VAL 111 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 43ca s VAL 111 CO -0.00 0.30 0.00 -1.54 0.00 0.00 0.00 175.10 173.85