#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 2.12 -0.02 5.09 1.01 -1.26 -4.57 120.40 122.77 43ca s VAL 2 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 43ca s VAL 2 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 43ca s VAL 2 CO 0.00 0.01 0.06 -1.10 0.00 0.00 0.00 175.10 174.06 43ca s GLN 3 N 0.99 0.06 -0.21 2.72 -1.52 -1.12 -4.99 119.66 115.59 43ca s GLN 3 Ca 0.73 0.09 0.02 0.00 -1.95 0.00 0.00 55.36 54.25 43ca s GLN 3 Cb -0.49 0.01 0.04 0.00 -0.22 0.00 0.00 33.01 32.35 43ca s GLN 3 CO 0.34 -0.02 -0.14 -0.51 -0.25 0.00 0.00 175.29 174.70 43ca s LEU 4 N 0.12 2.66 -0.26 2.90 1.43 -1.26 -1.52 118.68 122.76 43ca s LEU 4 Ca -0.01 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 43ca s LEU 4 Cb -0.01 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.81 43ca s LEU 4 CO -0.00 -0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 175.70 43ca s VAL 5 N 1.25 2.49 0.23 -1.59 1.01 -0.17 -2.67 120.40 120.94 43ca s VAL 5 Ca -0.02 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.29 43ca s VAL 5 Cb -0.16 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 43ca s VAL 5 CO -0.09 0.04 0.87 -1.61 0.00 0.00 0.00 175.10 174.31 43ca s GLU 6 N 1.19 4.66 -0.06 2.72 8.01 -1.26 -0.38 118.70 133.58 43ca s GLU 6 Ca -0.05 1.30 0.04 0.00 0.01 0.00 0.00 54.97 56.26 43ca s GLU 6 Cb -0.19 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.49 43ca s GLU 6 CO -0.05 0.48 -0.17 0.45 0.01 0.00 0.00 175.26 175.98 43ca s SER 7 N -1.30 2.26 0.26 -0.19 0.15 0.10 -4.65 113.70 110.33 43ca s SER 7 Ca 0.41 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 43ca s SER 7 Cb -0.23 -0.84 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 43ca s SER 7 CO 0.28 0.12 0.37 0.61 1.20 0.00 0.00 173.24 175.82 43ca n GLY 8 N 3.42 2.33 0.17 9.45 0.00 -1.26 -1.81 105.19 117.48 43ca n GLY 8 Ca -0.20 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.89 -3.50 132.00 128.35 43ca h PRO 9 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 43ca h PRO 9 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 43ca h PRO 9 CO 0.27 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 43ca n GLY 10 N 1.08 1.68 3.81 1.56 0.00 -1.26 -4.79 105.19 107.27 43ca n GLY 10 Ca 0.02 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 4.47 -0.00 0.99 1.02 -1.26 -1.13 118.68 122.77 43ca s LEU 11 Ca 0.00 1.41 -0.02 0.00 0.02 0.00 0.00 54.13 55.54 43ca s LEU 11 Cb 0.00 -3.28 -0.00 0.00 0.02 0.00 0.00 46.19 42.92 43ca s LEU 11 CO 0.00 0.16 0.04 0.68 0.02 0.00 0.00 176.35 177.25 43ca s VAL 12 N -1.30 0.06 0.22 -1.59 -7.23 -0.64 -4.91 120.40 105.02 43ca s VAL 12 Ca 0.36 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 43ca s VAL 12 Cb -0.19 -0.22 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 43ca s VAL 12 CO 0.22 -0.26 1.17 0.00 -0.31 0.00 0.00 175.10 175.92 43ca s ALA 13 N -0.81 3.43 1.07 1.32 0.00 -1.24 -1.11 121.76 124.42 43ca s ALA 13 Ca -0.09 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 43ca s ALA 13 Cb -0.05 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 19.89 43ca s ALA 13 CO -0.00 -0.32 0.95 -0.35 0.00 0.00 0.00 175.76 176.03 43ca n PRO 14 N 1.97 -1.60 0.00 0.00 -0.04 -1.26 -2.18 135.00 131.89 43ca n PRO 14 Ca 0.02 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 43ca n PRO 14 Cb 0.44 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 43ca n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 43ca n SER 15 N -4.26 0.00 -4.15 3.54 2.88 0.34 -4.91 113.62 107.06 43ca n SER 15 Ca 0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 43ca n SER 15 Cb 0.54 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.18 43ca n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 43ca n GLN 16 N 0.00 -1.95 -4.09 -1.46 1.13 -0.93 -3.96 117.38 106.12 43ca n GLN 16 Ca 0.00 -0.56 -0.30 0.00 -1.94 0.00 0.00 57.00 54.20 43ca n GLN 16 Cb 0.00 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 28.57 43ca n GLN 16 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 43ca s SER 17 N -1.95 5.30 0.09 1.08 1.04 -1.26 -1.39 113.70 116.60 43ca s SER 17 Ca 0.55 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.94 43ca s SER 17 Cb -0.12 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 43ca s SER 17 CO 0.61 0.18 0.03 -0.22 0.98 0.00 0.00 173.24 174.83 43ca s LEU 18 N -2.30 3.61 -0.12 2.42 2.96 0.94 -4.99 118.68 121.20 43ca s LEU 18 Ca 0.27 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 43ca s LEU 18 Cb -0.12 -2.31 0.06 0.00 0.50 0.00 0.00 46.19 44.31 43ca s LEU 18 CO 0.20 0.17 0.26 -0.44 -1.32 0.00 0.00 176.35 175.21 43ca s SER 19 N -2.37 0.03 0.06 3.68 0.01 -1.26 -2.19 113.70 111.66 43ca s SER 19 Ca 0.27 0.56 0.07 0.00 1.31 0.00 0.00 55.95 58.16 43ca s SER 19 Cb -0.12 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 43ca s SER 19 CO 0.20 -0.20 -0.18 -0.63 0.41 0.00 0.00 173.24 172.84 43ca s ILE 20 N 1.82 1.46 -0.06 1.44 1.01 -0.84 -4.27 121.20 121.76 43ca s ILE 20 Ca -0.04 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.42 43ca s ILE 20 Cb -0.11 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.06 43ca s ILE 20 CO -0.09 0.05 -0.18 -0.89 0.00 0.00 0.00 174.94 173.84 43ca s THR 21 N -0.93 1.52 -0.37 2.92 2.01 -0.75 -2.02 115.64 118.01 43ca s THR 21 Ca 0.05 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 43ca s THR 21 Cb -0.09 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.12 43ca s THR 21 CO 0.02 0.44 0.20 0.00 -0.69 0.00 0.00 174.62 174.59 43ca s THR 23 N 1.53 5.10 0.15 0.00 2.01 0.49 -1.65 115.64 123.27 43ca s THR 23 Ca 0.02 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 43ca s THR 23 Cb -0.19 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 43ca s THR 23 CO 0.06 -0.49 0.38 -0.69 -0.69 0.00 0.00 174.62 173.20 43ca s VAL 24 N 2.09 5.17 0.04 3.82 1.01 -0.81 -1.00 120.40 130.71 43ca s VAL 24 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 43ca s VAL 24 Cb -0.19 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.56 43ca s VAL 24 CO 0.12 0.00 0.18 -0.94 0.00 0.00 0.00 175.10 174.46 43ca s SER 25 N -2.55 0.06 0.00 3.32 1.04 -0.57 -4.84 113.70 110.16 43ca s SER 25 Ca 0.41 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.44 43ca s SER 25 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 43ca s SER 25 CO 0.25 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.53 43ca n GLY 26 N 0.69 2.64 3.17 7.32 0.00 -1.26 -2.78 105.19 114.96 43ca n GLY 26 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.37 0.25 -0.13 -0.61 -4.36 -1.26 -4.82 121.20 107.91 43ca s ILE 27 Ca 0.00 -1.92 -0.15 0.00 -0.26 0.00 0.00 60.65 58.32 43ca s ILE 27 Cb 0.00 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 43ca s ILE 27 CO 0.00 -0.51 0.36 -0.55 0.24 0.00 0.00 174.94 174.48 43ca s SER 28 N -3.07 6.56 0.00 4.36 0.15 -1.26 -4.97 113.70 115.47 43ca s SER 28 Ca 0.23 0.66 0.22 0.00 0.70 0.00 0.00 55.95 57.76 43ca s SER 28 Cb 0.07 -2.22 1.15 0.00 -1.71 0.00 0.00 66.02 63.31 43ca s SER 28 CO 0.01 0.10 1.71 0.18 1.20 0.00 0.00 173.24 176.45 43ca n LEU 29 N 3.35 0.00 0.14 3.45 4.77 -1.26 -2.70 117.00 124.75 43ca n LEU 29 Ca -0.11 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 43ca n LEU 29 Cb 0.52 -0.24 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 43ca n LEU 29 CO 0.40 -0.07 -0.25 0.28 -1.33 0.00 0.00 177.39 176.43 43ca h SER 30 N 0.00 0.82 0.02 -1.43 0.02 -1.94 -3.32 113.55 107.72 43ca h SER 30 Ca 0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 43ca h SER 30 Cb 0.17 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.44 43ca h SER 30 CO 0.00 1.71 -0.02 0.54 -1.14 0.00 0.00 176.83 177.92 43ca n ARG 31 N -3.70 1.40 -4.16 3.45 1.74 -1.10 -4.21 116.66 110.08 43ca n ARG 31 Ca -0.17 -0.65 -0.16 0.00 -0.77 0.00 0.00 57.85 56.10 43ca n ARG 31 Cb 1.10 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 43ca n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 43ca s TYR 32 N -2.05 1.10 -0.02 -1.55 1.51 -1.16 -3.81 117.35 111.36 43ca s TYR 32 Ca 0.39 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 43ca s TYR 32 Cb 0.21 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 43ca s TYR 32 CO 0.36 0.02 0.02 -0.80 -1.11 0.00 0.00 175.55 174.05 43ca s ASN 33 N -2.06 5.29 -0.12 2.29 0.01 0.04 -2.66 114.94 117.72 43ca s ASN 33 Ca 0.01 0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 43ca s ASN 33 Cb -0.07 -1.44 0.01 0.00 0.41 0.00 0.00 41.25 40.16 43ca s ASN 33 CO 0.01 0.30 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.04 43ca s VAL 34 N -1.07 1.69 0.11 1.60 1.01 -0.53 -1.45 120.40 121.75 43ca s VAL 34 Ca 0.19 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.46 43ca s VAL 34 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 43ca s VAL 34 CO 0.09 0.48 0.07 -1.00 0.00 0.00 0.00 175.10 174.74 43ca s HIS 35 N 1.01 3.11 -0.21 5.22 3.76 0.76 -0.96 115.29 127.99 43ca s HIS 35 Ca -0.05 0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.83 43ca s HIS 35 Cb -0.15 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 43ca s HIS 35 CO -0.03 0.51 0.00 -1.58 -0.85 0.00 0.00 174.74 172.79 43ca s TRP 36 N -1.47 3.04 0.11 1.40 0.52 -0.15 -1.02 118.94 121.36 43ca s TRP 36 Ca 0.29 -0.49 0.05 0.00 0.02 0.00 0.00 56.10 55.97 43ca s TRP 36 Cb -0.11 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 43ca s TRP 36 CO 0.21 -0.27 -0.13 0.08 0.02 0.00 0.00 176.95 176.87 43ca s VAL 37 N 1.08 1.18 0.03 4.03 1.01 0.13 -0.14 120.40 127.72 43ca s VAL 37 Ca 0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 43ca s VAL 37 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 43ca s VAL 37 CO 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 175.10 174.65 43ca s ARG 38 N -2.63 0.38 0.03 2.72 1.70 -0.42 -0.09 118.95 120.64 43ca s ARG 38 Ca 0.07 -0.71 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 43ca s ARG 38 Cb -0.05 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 43ca s ARG 38 CO 0.02 -0.07 -0.06 -1.14 -1.08 0.00 0.00 175.30 172.97 43ca s GLN 39 N -1.91 0.44 0.08 3.89 0.74 -0.31 -1.11 119.66 121.49 43ca s GLN 39 Ca -0.12 -0.67 -0.21 0.00 0.05 0.00 0.00 55.36 54.41 43ca s GLN 39 Cb -0.07 -0.17 0.05 0.00 1.10 0.00 0.00 33.01 33.93 43ca s GLN 39 CO -0.03 0.02 0.50 -1.54 -0.55 0.00 0.00 175.29 173.70 43ca s SER 40 N -1.44 -0.41 0.36 6.67 1.04 -1.02 -1.00 113.70 117.90 43ca s SER 40 Ca -0.11 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.39 43ca s SER 40 Cb -0.09 0.50 0.69 0.00 0.10 0.00 0.00 66.02 67.22 43ca s SER 40 CO -0.00 -0.79 1.99 -0.65 0.98 0.00 0.00 173.24 174.77 43ca h PRO 41 N 2.56 0.68 0.00 4.02 0.11 -1.95 -1.58 132.00 135.83 43ca h PRO 41 Ca -0.32 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.47 43ca h PRO 41 Cb 1.24 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 43ca h PRO 41 CO 0.42 0.50 -1.57 0.78 -0.21 0.00 0.00 178.00 177.92 43ca h GLY 42 N 0.75 0.00 0.61 -0.55 0.00 -1.98 -3.38 103.07 98.52 43ca h GLY 42 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 43ca h GLY 42 CO -0.03 0.00 -1.43 0.28 0.00 0.00 0.00 176.54 175.36 43ca n LYS 43 N -3.04 0.63 0.00 4.80 5.02 -1.21 -5.07 118.16 119.29 43ca n LYS 43 Ca -0.14 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 43ca n LYS 43 Cb 0.99 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 1.24 -0.49 3.79 0.72 0.00 -0.60 -4.78 105.19 105.07 43ca n GLY 44 Ca -0.03 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 4.34 -0.05 0.99 1.43 -1.26 -2.43 118.68 121.71 43ca s LEU 45 Ca 0.00 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 43ca s LEU 45 Cb 0.00 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.89 43ca s LEU 45 CO 0.00 0.24 -0.07 -1.61 0.23 0.00 0.00 176.35 175.14 43ca s GLU 46 N -0.32 1.10 0.03 1.70 2.02 -0.26 -4.99 118.70 117.97 43ca s GLU 46 Ca 0.18 -0.22 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 43ca s GLU 46 Cb -0.14 -1.01 -0.05 0.00 0.10 0.00 0.00 34.13 33.04 43ca s GLU 46 CO 0.06 -0.02 0.78 -0.46 0.02 0.00 0.00 175.26 175.64 43ca s TRP 47 N 0.73 3.71 -0.24 1.61 -0.00 -1.26 -1.30 118.94 122.18 43ca s TRP 47 Ca -0.12 1.47 -0.14 0.00 -0.00 0.00 0.00 56.10 57.32 43ca s TRP 47 Cb -0.14 -2.85 -0.10 0.00 -0.00 0.00 0.00 33.47 30.37 43ca s TRP 47 CO 0.01 0.22 -0.33 1.28 -0.00 0.00 0.00 176.95 178.13 43ca n LEU 48 N 3.05 1.83 0.00 5.86 4.77 0.80 -4.72 117.00 128.59 43ca n LEU 48 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 43ca n LEU 48 Cb 0.50 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 43ca n LEU 48 CO 0.48 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 43ca n GLY 49 N 1.41 0.73 3.49 -0.72 0.00 -1.17 0.56 105.19 109.49 43ca n GLY 49 Ca -0.44 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.67 0.88 -0.05 1.61 0.23 -0.12 -0.98 119.30 119.21 43ca s MET 50 Ca 0.00 -0.32 0.03 0.00 -1.03 0.00 0.00 55.69 54.37 43ca s MET 50 Cb 0.00 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.71 43ca s MET 50 CO 0.00 -0.38 -0.12 -1.50 -2.03 0.00 0.00 175.02 170.99 43ca s ILE 51 N -3.18 1.07 0.54 3.16 2.07 -0.13 -1.78 121.20 122.95 43ca s ILE 51 Ca 0.04 -0.48 -0.15 0.00 -1.41 0.00 0.00 60.65 58.65 43ca s ILE 51 Cb -0.01 -0.95 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 43ca s ILE 51 CO -0.09 0.33 1.00 0.26 -1.91 0.00 0.00 174.94 174.52 43ca s TRP 52 N 0.36 3.46 0.51 3.50 0.52 0.81 -1.46 118.94 126.64 43ca s TRP 52 Ca -0.08 1.44 0.28 0.00 0.02 0.00 0.00 56.10 57.75 43ca s TRP 52 Cb -0.12 -2.79 1.37 0.00 -1.15 0.00 0.00 33.47 30.78 43ca s TRP 52 CO 0.02 -0.47 1.89 0.78 0.02 0.00 0.00 176.95 179.19 43ca h GLY 53 N 0.65 0.24 -5.58 0.98 0.00 -1.68 -1.87 103.07 95.80 43ca h GLY 53 Ca -0.46 -0.05 -0.78 0.00 0.00 0.00 0.00 47.33 46.04 43ca h GLY 53 CO 0.61 -0.01 1.08 0.61 0.00 0.00 0.00 176.54 178.83 43ca n GLY 54 N -1.66 5.76 4.10 4.60 0.00 -1.26 -4.31 105.19 112.42 43ca n GLY 54 Ca 0.18 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.19 0.00 3.77 -0.02 0.00 -0.70 -4.93 105.19 103.12 43ca n GLY 55 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.28 6.64 -0.02 1.61 0.15 -1.26 -4.74 113.70 114.81 43ca s SER 56 Ca 0.00 2.45 0.06 0.00 0.70 0.00 0.00 55.95 59.16 43ca s SER 56 Cb 0.00 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 43ca s SER 56 CO 0.00 -0.60 -0.19 -0.63 1.20 0.00 0.00 173.24 173.02 43ca s ILE 57 N -1.30 1.50 0.02 6.45 1.01 -1.26 -0.13 121.20 127.48 43ca s ILE 57 Ca 0.54 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.41 43ca s ILE 57 Cb -0.34 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 43ca s ILE 57 CO 0.43 0.42 -0.11 -1.61 0.00 0.00 0.00 174.94 174.08 43ca s GLU 58 N -0.43 0.76 0.19 2.79 2.02 -0.73 -5.02 118.70 118.29 43ca s GLU 58 Ca 0.07 -0.54 0.10 0.00 0.02 0.00 0.00 54.97 54.61 43ca s GLU 58 Cb -0.07 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 43ca s GLU 58 CO -0.01 0.18 -0.20 0.71 0.02 0.00 0.00 175.26 175.97 43ca s TYR 59 N -0.62 2.01 -0.32 1.61 2.02 -1.26 -0.94 117.35 119.84 43ca s TYR 59 Ca 0.01 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 43ca s TYR 59 Cb -0.06 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 43ca s TYR 59 CO 0.00 0.44 1.20 1.21 -1.57 0.00 0.00 175.55 176.83 43ca s ASN 60 N -2.85 6.77 0.18 2.29 3.84 0.19 -4.90 114.94 120.47 43ca s ASN 60 Ca 0.20 1.08 -0.25 0.00 0.21 0.00 0.00 52.86 54.09 43ca s ASN 60 Cb -0.06 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.14 43ca s ASN 60 CO 0.09 -1.02 1.50 -0.81 -2.79 0.00 0.00 177.10 174.07 43ca n PRO 61 N 7.18 -0.36 -0.32 0.43 -0.04 -1.26 -0.30 135.00 140.33 43ca n PRO 61 Ca 0.13 1.48 0.18 0.00 -0.04 0.00 0.00 63.50 65.25 43ca n PRO 61 Cb 0.47 -2.18 0.36 0.00 -0.04 0.00 0.00 33.50 32.11 43ca n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 43ca h ALA 62 N 0.79 1.42 -0.29 0.55 0.00 -1.98 0.37 119.26 120.13 43ca h ALA 62 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.42 43ca h ALA 62 Cb 0.46 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.71 43ca h ALA 62 CO -0.93 -0.62 0.00 1.28 0.00 0.00 0.00 179.25 178.98 43ca n LEU 63 N -5.36 3.03 -0.36 0.00 4.77 -0.24 -4.57 117.00 114.28 43ca n LEU 63 Ca 0.26 -1.47 0.26 0.00 -0.03 0.00 0.00 56.01 55.03 43ca n LEU 63 Cb 0.85 -0.18 0.52 0.00 -2.33 0.00 0.00 43.42 42.28 43ca n LEU 63 CO -0.01 0.66 1.19 0.50 -1.33 0.00 0.00 177.39 178.39 43ca h LYS 64 N 3.55 0.31 -0.03 3.23 3.64 0.16 -0.15 116.57 127.27 43ca h LYS 64 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 43ca h LYS 64 Cb 0.83 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 43ca h LYS 64 CO 0.00 0.20 -0.25 0.66 -2.27 0.00 0.00 179.45 177.79 43ca h SER 65 N 0.32 0.04 0.00 4.20 4.64 -1.81 -3.20 113.55 117.74 43ca h SER 65 Ca 0.70 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 43ca h SER 65 Cb 1.79 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 43ca h SER 65 CO -0.43 0.30 -0.97 0.54 -0.87 0.00 0.00 176.83 175.40 43ca n ARG 66 N -4.22 1.43 -3.73 4.77 1.74 -0.14 -4.96 116.66 111.55 43ca n ARG 66 Ca -0.02 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.72 43ca n ARG 66 Cb 0.31 -1.29 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 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 -3.05 4.29 -0.15 0.55 1.43 -0.79 -0.42 118.68 120.55 43ca s LEU 67 Ca 0.04 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 43ca s LEU 67 Cb 0.12 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 43.19 43ca s LEU 67 CO 0.67 0.08 0.28 -0.55 0.23 0.00 0.00 176.35 177.06 43ca s SER 68 N -2.45 0.38 -0.04 2.29 0.15 -0.03 -4.90 113.70 109.10 43ca s SER 68 Ca 0.40 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.64 43ca s SER 68 Cb -0.12 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 43ca s SER 68 CO 0.25 -0.25 -0.20 -0.63 1.20 0.00 0.00 173.24 173.62 43ca s ILE 69 N 2.44 2.61 0.32 6.45 1.01 -1.26 -0.65 121.20 132.12 43ca s ILE 69 Ca 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 43ca s ILE 69 Cb -0.13 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.39 43ca s ILE 69 CO -0.10 0.59 0.49 -1.54 0.00 0.00 0.00 174.94 174.38 43ca n SER 70 N 2.37 -1.40 -3.61 3.58 3.41 -0.88 -5.00 113.62 112.09 43ca n SER 70 Ca -0.17 -2.64 -0.10 0.00 -0.26 0.00 0.00 58.87 55.70 43ca n SER 70 Cb 0.52 2.52 -0.03 0.00 -0.26 0.00 0.00 64.21 66.96 43ca n SER 70 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 43ca s LYS 71 N -2.58 1.34 -0.31 4.33 -2.85 -1.26 -1.38 119.74 117.02 43ca s LYS 71 Ca 0.24 -0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 54.48 43ca s LYS 71 Cb -0.02 0.55 0.11 0.00 -2.06 0.00 0.00 37.83 36.42 43ca s LYS 71 CO 0.17 -0.58 0.15 0.34 0.10 0.00 0.00 175.35 175.53 43ca s ASP 72 N -2.82 3.45 0.47 0.03 -1.08 -0.22 -5.01 116.67 111.49 43ca s ASP 72 Ca 0.05 -1.61 0.12 0.00 -0.52 0.00 0.00 52.55 50.59 43ca s ASP 72 Cb -0.01 -0.45 1.08 0.00 -1.46 0.00 0.00 42.92 42.08 43ca s ASP 72 CO -0.07 -0.40 2.09 0.78 0.52 0.00 0.00 175.17 178.10 43ca h ASN 73 N 7.95 0.23 0.47 -0.34 2.35 -1.95 0.33 115.58 124.62 43ca h ASN 73 Ca -0.12 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 43ca h ASN 73 Cb 1.00 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 43ca h ASN 73 CO 0.40 0.17 -0.26 0.77 -1.65 0.00 0.00 177.43 176.86 43ca h SER 74 N 0.27 0.00 -0.01 5.81 4.64 -1.96 -2.67 113.55 119.64 43ca h SER 74 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 43ca h SER 74 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 43ca h SER 74 CO -0.02 0.26 -0.39 0.29 -0.87 0.00 0.00 176.83 176.10 43ca n LYS 75 N -3.81 1.87 -3.60 4.77 5.02 -0.59 -4.99 118.16 116.84 43ca n LYS 75 Ca -0.01 -0.60 -0.26 0.00 -2.02 0.00 0.00 58.31 55.42 43ca n LYS 75 Cb 0.35 -1.22 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.41 -5.84 -4.45 4.39 7.64 0.11 -4.79 113.62 110.27 43ca n SER 76 Ca 0.05 -0.57 -0.30 0.00 1.01 0.00 0.00 58.87 59.07 43ca n SER 76 Cb 0.29 -4.63 -0.12 0.00 -1.01 0.00 0.00 64.21 58.74 43ca n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 43ca s GLN 77 N -6.31 1.79 -0.01 1.43 -0.21 -0.88 -1.93 119.66 113.54 43ca s GLN 77 Ca 0.57 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.85 43ca s GLN 77 Cb -0.26 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.65 43ca s GLN 77 CO 0.70 0.49 -0.19 0.42 -2.12 0.00 0.00 175.29 174.59 43ca s ILE 78 N -1.04 1.49 0.11 1.08 1.09 -0.66 -1.06 121.20 122.22 43ca s ILE 78 Ca 0.16 -0.82 0.09 0.00 -1.10 0.00 0.00 60.65 58.98 43ca s ILE 78 Cb -0.10 -1.24 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 43ca s ILE 78 CO 0.07 0.41 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.73 43ca s PHE 79 N -0.46 1.98 0.00 3.97 0.08 -0.48 -0.63 117.98 122.45 43ca s PHE 79 Ca 0.07 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.75 43ca s PHE 79 Cb -0.07 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.28 43ca s PHE 79 CO -0.01 0.24 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.09 43ca s LEU 80 N -1.90 2.05 -0.06 -0.37 0.20 -0.86 -2.07 118.68 115.68 43ca s LEU 80 Ca 0.09 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.67 43ca s LEU 80 Cb -0.10 -0.48 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 43ca s LEU 80 CO 0.05 0.08 0.01 -0.75 -0.29 0.00 0.00 176.35 175.45 43ca s LYS 81 N -0.42 0.48 -0.10 1.98 2.36 0.18 -1.99 119.74 122.22 43ca s LYS 81 Ca 0.02 0.14 0.03 0.00 -2.55 0.00 0.00 55.97 53.62 43ca s LYS 81 Cb -0.05 -0.85 0.01 0.00 -1.05 0.00 0.00 37.83 35.89 43ca s LYS 81 CO -0.00 -0.29 -0.20 1.41 1.55 0.00 0.00 175.35 177.82 43ca s MET 82 N 1.89 2.64 0.29 4.03 -2.45 -0.93 -0.85 119.30 123.91 43ca s MET 82 Ca 0.03 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 43ca s MET 82 Cb -0.12 -2.06 -0.03 0.00 1.25 0.00 0.00 34.83 33.86 43ca s MET 82 CO -0.04 0.09 0.46 -0.80 1.05 0.00 0.00 175.02 175.78 43ca s ASN 82 N 0.55 6.31 -0.98 1.11 0.01 0.44 -0.04 114.94 122.35 43ca s ASN 82 Ca -0.15 0.30 -0.13 0.00 -0.71 0.00 0.00 52.86 52.16 43ca s ASN 82 Cb -0.17 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.54 43ca s ASN 82 CO 0.05 -0.18 0.66 -1.20 -1.51 0.00 0.00 177.10 174.91 43ca n SER 82 N -1.53 -4.89 -4.73 -1.22 7.64 -1.19 -4.87 113.62 102.83 43ca n SER 82 Ca -0.06 -1.02 -0.36 0.00 1.01 0.00 0.00 58.87 58.44 43ca n SER 82 Cb 0.56 -2.11 0.07 0.00 -1.01 0.00 0.00 64.21 61.73 43ca n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 43ca s LEU 82 N -5.85 3.50 0.23 -3.43 1.43 -0.49 -4.73 118.68 109.34 43ca s LEU 82 Ca 0.21 2.49 0.02 0.00 -1.03 0.00 0.00 54.13 55.82 43ca s LEU 82 Cb -0.10 -4.61 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 43ca s LEU 82 CO 0.91 -2.03 0.05 -1.58 0.23 0.00 0.00 176.35 173.93 43ca s GLN 83 N -3.55 1.33 0.48 1.70 2.00 -1.26 -0.50 119.66 119.86 43ca s GLN 83 Ca 0.79 -1.69 0.13 0.00 -2.00 0.00 0.00 55.36 52.59 43ca s GLN 83 Cb -0.33 -0.37 1.13 0.00 0.80 0.00 0.00 33.01 34.24 43ca s GLN 83 CO 0.40 -0.21 2.11 1.79 -0.50 0.00 0.00 175.29 178.89 43ca h THR 84 N 2.47 1.04 0.00 -0.34 1.35 -1.97 -2.47 112.91 112.99 43ca h THR 84 Ca -0.38 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 43ca h THR 84 Cb 1.23 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 43ca h THR 84 CO 0.63 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 43ca n ASP 85 N -4.50 0.49 -0.27 5.36 5.68 -1.26 -2.66 116.55 119.39 43ca n ASP 85 Ca -0.01 -1.46 0.05 0.00 -0.50 0.00 0.00 54.79 52.87 43ca n ASP 85 Cb 0.10 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 43ca n ASP 85 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 43ca n ASP 86 N -0.08 1.34 -4.74 -1.12 8.00 -0.93 -4.99 116.55 114.03 43ca n ASP 86 Ca 0.00 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 43ca n ASP 86 Cb 0.12 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.42 6.42 -0.17 -2.24 0.01 -1.09 -4.85 113.70 110.36 43ca s SER 87 Ca 0.09 2.88 -0.35 0.00 1.31 0.00 0.00 55.95 59.88 43ca s SER 87 Cb 0.09 -2.62 0.14 0.00 0.21 0.00 0.00 66.02 63.83 43ca s SER 87 CO 0.27 -0.89 1.25 0.00 0.41 0.00 0.00 173.24 174.27 43ca s ALA 88 N 0.28 -2.12 -0.25 1.44 0.00 -0.68 -4.86 121.76 115.57 43ca s ALA 88 Ca 0.65 1.48 -0.24 0.00 0.00 0.00 0.00 51.96 53.86 43ca s ALA 88 Cb -0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 43ca s ALA 88 CO 0.43 -0.67 0.79 1.41 0.00 0.00 0.00 175.76 177.73 43ca s MET 89 N -2.37 4.14 -0.08 0.00 -2.45 -0.17 -1.35 119.30 117.02 43ca s MET 89 Ca 0.11 0.83 -0.13 0.00 -1.25 0.00 0.00 55.69 55.24 43ca s MET 89 Cb 0.00 -3.66 -0.05 0.00 1.25 0.00 0.00 34.83 32.37 43ca s MET 89 CO -0.04 -0.53 0.33 0.71 1.05 0.00 0.00 175.02 176.54 43ca s TYR 90 N 2.81 3.60 0.06 4.11 1.51 -0.01 -1.16 117.35 128.28 43ca s TYR 90 Ca 0.33 0.78 0.04 0.00 -1.01 0.00 0.00 57.07 57.21 43ca s TYR 90 Cb -0.15 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 43ca s TYR 90 CO 0.08 0.49 -0.11 0.71 -1.11 0.00 0.00 175.55 175.61 43ca s TYR 91 N -0.41 1.00 -0.06 2.71 2.02 0.88 -1.30 117.35 122.18 43ca s TYR 91 Ca 0.20 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 43ca s TYR 91 Cb -0.15 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.82 43ca s TYR 91 CO 0.08 -0.00 -0.14 0.00 -1.57 0.00 0.00 175.55 173.92 43ca s VAL 93 N -0.56 0.76 0.07 0.00 1.01 -0.19 -0.13 120.40 121.37 43ca s VAL 93 Ca 0.08 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.83 43ca s VAL 93 Cb -0.11 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 43ca s VAL 93 CO 0.01 0.26 -0.08 -0.94 0.00 0.00 0.00 175.10 174.36 43ca s SER 94 N 0.66 4.52 -0.01 3.32 1.04 0.34 -0.17 113.70 123.39 43ca s SER 94 Ca -0.11 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 43ca s SER 94 Cb -0.13 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.05 43ca s SER 94 CO 0.01 0.21 0.01 -0.31 0.98 0.00 0.00 173.24 174.14 43ca s TYR 95 N -1.16 0.01 0.00 5.02 1.51 -0.53 -1.31 117.35 120.89 43ca s TYR 95 Ca 0.21 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 43ca s TYR 95 Cb -0.11 -0.06 0.00 0.00 -0.11 0.00 0.00 41.96 41.67 43ca s TYR 95 CO 0.12 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 43ca n GLY 96 N 3.38 1.56 3.87 0.71 0.00 -0.03 -0.78 105.19 113.89 43ca n GLY 96 Ca -0.16 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 3.57 0.00 1.61 1.51 -1.25 -4.35 117.35 116.44 43ca s TYR 97 Ca 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 56.56 43ca s TYR 97 Cb 0.00 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 43ca s TYR 97 CO 0.00 0.72 0.00 0.41 -1.11 0.00 0.00 175.55 175.57 43ca n GLY 98 N 1.98 1.07 3.58 0.71 0.00 -1.26 -4.81 105.19 106.47 43ca n GLY 98 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 43ca n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 43ca s GLY 99 N -1.16 0.70 0.00 -0.02 0.00 -1.26 -4.90 107.32 100.69 43ca s GLY 99 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 43ca s GLY 99 CO 0.00 -0.68 0.53 1.22 0.00 0.00 0.00 173.10 174.17 43ca n ASP 100 N -0.62 1.17 -3.52 1.64 9.92 -1.26 -4.69 116.55 119.20 43ca n ASP 100 Ca -0.02 -1.93 -0.12 0.00 -0.53 0.00 0.00 54.79 52.19 43ca n ASP 100 Cb 0.62 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 43ca n ASP 100 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 43ca s ARG 100 N -0.89 0.88 -0.01 -1.24 0.52 -1.26 -5.06 118.95 111.90 43ca s ARG 100 Ca 0.00 -0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 43ca s ARG 100 Cb 0.00 0.41 -0.26 0.00 0.52 0.00 0.00 34.95 35.62 43ca s ARG 100 CO 0.00 -0.32 0.81 0.35 0.02 0.00 0.00 175.30 176.15 43ca h PHE 100 N 2.46 0.31 -3.98 -0.53 3.57 -1.84 -3.44 116.94 113.49 43ca h PHE 100 Ca -0.24 -0.23 -0.39 0.00 3.53 0.00 0.00 57.97 60.65 43ca h PHE 100 Cb 1.20 -0.01 -0.23 0.00 2.79 0.00 0.00 35.95 39.69 43ca h PHE 100 CO 0.30 1.30 -0.77 0.45 -2.23 0.00 0.00 178.31 177.36 43ca s SER 101 N -6.77 1.40 -0.05 0.41 0.15 -1.26 -0.85 113.70 106.74 43ca s SER 101 Ca -0.08 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 43ca s SER 101 Cb 0.07 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 43ca s SER 101 CO 0.83 -0.05 -0.00 -0.31 1.20 0.00 0.00 173.24 174.91 43ca s TYR 102 N -1.04 0.47 -0.13 3.44 2.02 -0.43 -4.99 117.35 116.69 43ca s TYR 102 Ca -0.02 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 43ca s TYR 102 Cb -0.09 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 43ca s TYR 102 CO 0.01 -0.21 0.08 -0.46 -1.57 0.00 0.00 175.55 173.40 43ca s TRP 103 N 1.41 3.37 1.16 2.71 -0.11 -1.26 -0.51 118.94 125.70 43ca s TRP 103 Ca -0.04 0.29 -0.16 0.00 1.22 0.00 0.00 56.10 57.41 43ca s TRP 103 Cb -0.13 -1.95 0.26 0.00 -1.50 0.00 0.00 33.47 30.15 43ca s TRP 103 CO -0.03 0.47 1.07 0.20 -4.62 0.00 0.00 176.95 174.05 43ca s GLY 104 N -0.50 1.55 0.25 5.86 0.00 0.82 -4.79 107.32 110.51 43ca s GLY 104 Ca 0.11 -0.65 0.12 0.00 0.00 0.00 0.00 44.72 44.30 43ca s GLY 104 CO 0.02 0.14 1.53 1.46 0.00 0.00 0.00 173.10 176.25 43ca h GLN 105 N -2.45 0.00 0.00 2.90 4.20 -1.82 -3.46 115.11 114.47 43ca h GLN 105 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 43ca h GLN 105 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 43ca h GLN 105 CO 0.44 0.65 0.00 0.41 -0.67 0.00 0.00 178.83 179.67 43ca n GLY 106 N 0.65 0.38 2.87 3.46 0.00 -1.26 -5.03 105.19 106.26 43ca n GLY 106 Ca -0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.96 0.88 0.07 2.61 -1.32 -0.42 -4.72 115.64 110.78 43ca s THR 107 Ca 0.00 -0.22 -0.31 0.00 -1.21 0.00 0.00 61.69 59.95 43ca s THR 107 Cb 0.00 -0.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.99 43ca s THR 107 CO 0.00 0.32 1.21 -0.22 -2.21 0.00 0.00 174.62 173.72 43ca s LEU 108 N 1.76 4.37 -0.22 9.08 2.96 -1.26 -0.83 118.68 134.55 43ca s LEU 108 Ca 0.05 2.04 -0.00 0.00 -0.22 0.00 0.00 54.13 55.99 43ca s LEU 108 Cb -0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.01 43ca s LEU 108 CO -0.08 -0.47 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.67 43ca s VAL 109 N 1.00 2.52 -0.46 1.68 1.01 -0.46 -4.06 120.40 121.63 43ca s VAL 109 Ca 0.59 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 43ca s VAL 109 Cb -0.30 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.01 43ca s VAL 109 CO 0.30 0.35 0.26 -0.89 0.00 0.00 0.00 175.10 175.11 43ca s THR 110 N 1.31 3.36 -0.60 3.92 2.01 -0.28 -1.69 115.64 123.67 43ca s THR 110 Ca 0.02 -2.28 -0.28 0.00 0.31 0.00 0.00 61.69 59.46 43ca s THR 110 Cb -0.15 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.10 43ca s THR 110 CO -0.08 -0.74 1.32 -0.69 -0.69 0.00 0.00 174.62 173.74 43ca s VAL 111 N 0.85 3.85 0.00 3.82 1.01 -1.26 -1.62 120.40 127.05 43ca s VAL 111 Ca 0.10 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.78 43ca s VAL 111 Cb -0.22 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.53 43ca s VAL 111 CO -0.04 -1.35 0.00 -1.54 0.00 0.00 0.00 175.10 172.17