#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 5.04 -0.03 1.69 1.01 -1.26 -4.34 120.40 122.50 43ca s VAL 2 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 43ca s VAL 2 Cb 0.00 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.54 43ca s VAL 2 CO 0.00 0.39 0.07 -1.10 0.00 0.00 0.00 175.10 174.46 43ca s GLN 3 N 0.08 0.01 -0.28 2.72 -1.52 -0.99 -5.01 119.66 114.67 43ca s GLN 3 Ca 0.29 0.22 -0.05 0.00 -1.95 0.00 0.00 55.36 53.87 43ca s GLN 3 Cb -0.17 -0.18 0.02 0.00 -0.22 0.00 0.00 33.01 32.46 43ca s GLN 3 CO 0.14 -0.14 0.03 -0.51 -0.25 0.00 0.00 175.29 174.56 43ca s LEU 4 N 0.93 3.68 -0.19 2.90 1.02 -1.26 -2.35 118.68 123.41 43ca s LEU 4 Ca -0.07 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.27 43ca s LEU 4 Cb -0.10 -1.80 0.03 0.00 0.02 0.00 0.00 46.19 44.33 43ca s LEU 4 CO -0.03 -0.18 -0.18 -0.69 0.02 0.00 0.00 176.35 175.28 43ca s VAL 5 N 1.43 2.08 -0.07 -1.59 1.01 0.03 -2.92 120.40 120.37 43ca s VAL 5 Ca 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 43ca s VAL 5 Cb -0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 43ca s VAL 5 CO 0.00 0.44 0.12 -1.83 0.00 0.00 0.00 175.10 173.83 43ca s GLU 6 N 1.26 3.31 0.06 2.72 1.03 -1.26 -0.01 118.70 125.80 43ca s GLU 6 Ca 0.02 -0.28 0.07 0.00 0.03 0.00 0.00 54.97 54.82 43ca s GLU 6 Cb -0.14 -3.05 -0.03 0.00 -0.80 0.00 0.00 34.13 30.10 43ca s GLU 6 CO -0.12 0.72 -0.16 -1.12 -1.33 0.00 0.00 175.26 173.26 43ca s SER 7 N -1.37 3.99 0.25 0.83 0.01 -0.12 -4.62 113.70 112.67 43ca s SER 7 Ca 0.19 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 43ca s SER 7 Cb -0.12 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.43 43ca s SER 7 CO 0.09 0.24 0.38 0.61 0.41 0.00 0.00 173.24 174.97 43ca n GLY 8 N 1.33 2.23 0.14 3.44 0.00 -1.26 -1.91 105.19 109.16 43ca n GLY 8 Ca -0.16 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.87 -3.50 132.00 128.36 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 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 43ca h PRO 9 CO 0.27 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.45 43ca n GLY 10 N 1.21 1.73 3.85 1.56 0.00 -1.26 -4.79 105.19 107.49 43ca n GLY 10 Ca 0.03 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 4.25 -0.18 0.99 1.02 -1.26 -1.49 118.68 122.01 43ca s LEU 11 Ca 0.00 1.12 -0.15 0.00 0.02 0.00 0.00 54.13 55.12 43ca s LEU 11 Cb 0.00 -3.56 0.05 0.00 0.02 0.00 0.00 46.19 42.70 43ca s LEU 11 CO 0.00 -0.01 0.46 0.54 0.02 0.00 0.00 176.35 177.37 43ca s VAL 12 N -1.65 -0.00 0.51 -1.59 0.11 -0.37 -4.94 120.40 112.47 43ca s VAL 12 Ca 0.44 0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 59.30 43ca s VAL 12 Cb -0.13 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 34.00 43ca s VAL 12 CO 0.20 0.01 1.16 0.00 -3.33 0.00 0.00 175.10 173.13 43ca s ALA 13 N 0.49 2.79 1.26 1.54 0.00 -1.26 -1.12 121.76 125.47 43ca s ALA 13 Ca -0.02 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 43ca s ALA 13 Cb -0.04 -3.38 0.29 0.00 0.00 0.00 0.00 23.12 19.98 43ca s ALA 13 CO -0.02 -0.78 0.65 -2.30 0.00 0.00 0.00 175.76 173.31 43ca n PRO 14 N -1.00 -3.68 -1.42 0.00 -0.02 -1.26 -3.25 135.00 124.37 43ca n PRO 14 Ca 0.10 -1.09 0.00 0.00 -2.02 0.00 0.00 63.50 60.49 43ca n PRO 14 Cb 0.49 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.75 -0.46 -3.40 2.55 3.41 0.54 -4.79 113.62 107.72 43ca n SER 15 Ca 0.10 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.84 43ca n SER 15 Cb 0.48 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 43ca n SER 15 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 43ca n GLN 16 N -1.22 0.90 -5.13 4.33 -0.06 -1.20 -4.66 117.38 110.33 43ca n GLN 16 Ca 0.00 -1.54 -0.30 0.00 -2.00 0.00 0.00 57.00 53.16 43ca n GLN 16 Cb 0.23 -0.03 -0.16 0.00 -4.06 0.00 0.00 30.24 26.21 43ca n GLN 16 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 43ca s SER 17 N -2.67 2.81 0.44 1.69 1.04 -1.26 -2.10 113.70 113.66 43ca s SER 17 Ca 0.25 -0.48 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 43ca s SER 17 Cb -0.02 -0.89 -0.05 0.00 0.10 0.00 0.00 66.02 65.15 43ca s SER 17 CO 0.16 0.20 0.79 -0.22 0.98 0.00 0.00 173.24 175.15 43ca s LEU 18 N 0.01 3.72 -0.30 2.42 2.96 0.16 -4.94 118.68 122.71 43ca s LEU 18 Ca -0.07 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.87 43ca s LEU 18 Cb -0.14 -3.99 0.17 0.00 0.50 0.00 0.00 46.19 42.73 43ca s LEU 18 CO 0.04 -0.49 0.63 -0.55 -1.32 0.00 0.00 176.35 174.67 43ca s SER 19 N -3.56 -1.28 0.09 3.68 0.15 -1.26 -2.11 113.70 109.41 43ca s SER 19 Ca 0.50 1.08 0.09 0.00 0.70 0.00 0.00 55.95 58.32 43ca s SER 19 Cb -0.10 2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 66.36 43ca s SER 19 CO 0.38 -0.24 -0.23 -0.63 1.20 0.00 0.00 173.24 173.71 43ca s ILE 20 N 2.87 1.91 -0.09 6.45 1.01 -0.16 -4.45 121.20 128.74 43ca s ILE 20 Ca 0.12 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.27 43ca s ILE 20 Cb -0.14 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.64 43ca s ILE 20 CO -0.20 0.07 -0.22 -0.89 0.00 0.00 0.00 174.94 173.70 43ca s THR 21 N -1.03 1.90 -0.41 2.92 2.01 -0.80 -1.77 115.64 118.45 43ca s THR 21 Ca 0.09 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 43ca s THR 21 Cb -0.10 -1.65 0.05 0.00 0.01 0.00 0.00 72.50 70.81 43ca s THR 21 CO 0.04 0.52 0.26 0.00 -0.69 0.00 0.00 174.62 174.76 43ca s THR 23 N 1.53 4.91 -0.02 0.00 2.01 0.98 -0.60 115.64 124.46 43ca s THR 23 Ca 0.03 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 43ca s THR 23 Cb -0.21 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 43ca s THR 23 CO 0.05 -0.49 0.15 -0.69 -0.69 0.00 0.00 174.62 172.95 43ca s VAL 24 N 2.61 5.22 0.01 3.82 1.01 0.51 -0.79 120.40 132.79 43ca s VAL 24 Ca 0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 43ca s VAL 24 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 43ca s VAL 24 CO 0.17 0.35 0.21 -0.94 0.00 0.00 0.00 175.10 174.89 43ca s SER 25 N -1.81 -0.04 0.00 3.32 1.04 -0.99 -4.79 113.70 110.42 43ca s SER 25 Ca 0.25 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.52 43ca s SER 25 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 43ca s SER 25 CO 0.16 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.54 43ca n GLY 26 N 1.16 3.16 3.20 7.32 0.00 -1.26 -2.34 105.19 116.42 43ca n GLY 26 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.32 0.15 -0.21 -0.61 -4.36 -1.26 -4.88 121.20 107.71 43ca s ILE 27 Ca 0.00 -1.97 -0.10 0.00 -0.26 0.00 0.00 60.65 58.32 43ca s ILE 27 Cb 0.00 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 43ca s ILE 27 CO 0.00 -0.17 0.13 -0.55 0.24 0.00 0.00 174.94 174.59 43ca s SER 28 N -3.15 6.08 0.05 4.36 0.15 -1.26 -4.99 113.70 114.94 43ca s SER 28 Ca 0.33 0.16 0.13 0.00 0.70 0.00 0.00 55.95 57.27 43ca s SER 28 Cb 0.07 -2.08 0.57 0.00 -1.71 0.00 0.00 66.02 62.87 43ca s SER 28 CO 0.09 0.13 1.41 0.18 1.20 0.00 0.00 173.24 176.25 43ca n LEU 29 N 3.84 0.11 0.22 3.45 4.77 -1.26 -1.92 117.00 126.21 43ca n LEU 29 Ca -0.16 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.49 43ca n LEU 29 Cb 0.52 -0.52 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 43ca n LEU 29 CO 0.36 -0.37 0.86 0.28 -1.33 0.00 0.00 177.39 177.19 43ca h SER 30 N 0.00 0.00 -0.04 -1.43 0.02 -1.94 -3.26 113.55 106.90 43ca h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 43ca h SER 30 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 43ca h SER 30 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 43ca n ARG 31 N -3.03 0.67 -4.43 3.45 1.74 -0.81 -4.35 116.66 109.90 43ca n ARG 31 Ca 0.03 -1.21 -0.21 0.00 -0.77 0.00 0.00 57.85 55.70 43ca n ARG 31 Cb 0.47 -1.21 -0.14 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.90 1.21 -0.09 -1.55 1.51 -1.20 -4.37 117.35 111.97 43ca s TYR 32 Ca 0.13 -0.31 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 43ca s TYR 32 Cb 0.09 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 43ca s TYR 32 CO 0.13 0.02 0.39 -0.80 -1.11 0.00 0.00 175.55 174.18 43ca s ASN 33 N -0.87 6.65 -0.20 2.29 0.01 -0.48 -3.37 114.94 118.97 43ca s ASN 33 Ca 0.03 0.77 -0.04 0.00 -0.71 0.00 0.00 52.86 52.90 43ca s ASN 33 Cb -0.07 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 43ca s ASN 33 CO 0.01 0.15 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.02 43ca s VAL 34 N -0.02 3.60 0.23 1.60 1.01 -0.17 -1.92 120.40 124.73 43ca s VAL 34 Ca 0.22 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.83 43ca s VAL 34 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 43ca s VAL 34 CO 0.09 0.44 0.21 -1.00 0.00 0.00 0.00 175.10 174.84 43ca s HIS 35 N 1.06 3.17 -0.13 5.22 3.76 0.11 -0.52 115.29 127.97 43ca s HIS 35 Ca 0.01 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 43ca s HIS 35 Cb -0.15 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.10 43ca s HIS 35 CO 0.00 0.51 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.60 43ca s TRP 36 N -2.03 2.63 0.03 1.40 0.52 -0.52 -1.21 118.94 119.76 43ca s TRP 36 Ca 0.33 -1.25 0.03 0.00 0.02 0.00 0.00 56.10 55.22 43ca s TRP 36 Cb -0.08 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 43ca s TRP 36 CO 0.25 -0.55 -0.08 0.08 0.02 0.00 0.00 176.95 176.67 43ca s VAL 37 N 0.67 0.62 0.09 4.03 1.01 -0.25 -0.43 120.40 126.13 43ca s VAL 37 Ca -0.11 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.02 43ca s VAL 37 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 43ca s VAL 37 CO 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 175.10 174.76 43ca s ARG 38 N -1.23 0.86 0.01 2.72 1.70 -0.78 0.24 118.95 122.47 43ca s ARG 38 Ca -0.06 -1.05 0.02 0.00 -0.47 0.00 0.00 55.73 54.17 43ca s ARG 38 Cb -0.08 -0.78 -0.01 0.00 -0.57 0.00 0.00 34.95 33.51 43ca s ARG 38 CO 0.00 0.16 -0.05 -1.14 -1.08 0.00 0.00 175.30 173.19 43ca s GLN 39 N -2.14 0.41 0.02 3.89 0.74 0.12 -1.18 119.66 121.52 43ca s GLN 39 Ca 0.02 -0.34 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 43ca s GLN 39 Cb -0.08 -0.32 0.02 0.00 1.10 0.00 0.00 33.01 33.73 43ca s GLN 39 CO 0.02 0.08 0.30 -1.54 -0.55 0.00 0.00 175.29 173.60 43ca s SER 40 N -0.56 -0.14 0.16 6.67 1.04 -0.84 -0.70 113.70 119.31 43ca s SER 40 Ca -0.02 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 43ca s SER 40 Cb -0.04 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.46 43ca s SER 40 CO -0.00 -0.53 1.77 -0.65 0.98 0.00 0.00 173.24 174.81 43ca h PRO 41 N 3.54 0.35 0.02 4.02 0.11 -1.96 -0.74 132.00 137.34 43ca h PRO 41 Ca -0.31 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 43ca h PRO 41 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 43ca h PRO 41 CO 0.43 0.23 -0.01 0.78 -0.21 0.00 0.00 178.00 179.22 43ca h GLY 42 N 0.36 -0.03 2.00 -0.55 0.00 -1.99 -3.33 103.07 99.53 43ca h GLY 42 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 43ca h GLY 42 CO -0.13 -0.01 0.00 0.50 0.00 0.00 0.00 176.54 176.90 43ca h LYS 43 N -0.53 0.00 0.00 4.80 1.57 -1.97 -3.50 116.57 116.94 43ca h LYS 43 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 43ca h LYS 43 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 43ca h LYS 43 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 43ca n GLY 44 N 0.93 -0.97 3.83 3.86 0.00 -0.29 -4.81 105.19 107.74 43ca n GLY 44 Ca 0.04 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 4.31 -0.02 0.99 1.43 -1.26 -2.00 118.68 122.14 43ca s LEU 45 Ca 0.00 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 43ca s LEU 45 Cb 0.00 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.15 43ca s LEU 45 CO 0.00 0.34 -0.07 -1.61 0.23 0.00 0.00 176.35 175.24 43ca s GLU 46 N -0.61 0.74 -0.14 1.70 2.02 -0.33 -5.01 118.70 117.08 43ca s GLU 46 Ca 0.13 -0.24 -0.21 0.00 0.02 0.00 0.00 54.97 54.66 43ca s GLU 46 Cb -0.12 -0.72 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 43ca s GLU 46 CO 0.02 0.10 0.63 -0.46 0.02 0.00 0.00 175.26 175.57 43ca s TRP 47 N 0.14 3.46 -0.20 1.61 -0.00 -1.26 -1.87 118.94 120.82 43ca s TRP 47 Ca -0.02 1.03 -0.16 0.00 -0.00 0.00 0.00 56.10 56.96 43ca s TRP 47 Cb -0.07 -2.76 -0.08 0.00 -0.00 0.00 0.00 33.47 30.56 43ca s TRP 47 CO 0.00 -0.03 -0.27 1.28 -0.00 0.00 0.00 176.95 177.93 43ca n LEU 48 N 4.40 1.91 0.00 5.86 4.77 0.43 -4.57 117.00 129.80 43ca n LEU 48 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 43ca n LEU 48 Cb 0.51 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 43ca n LEU 48 CO 0.45 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 43ca n GLY 49 N 1.44 1.72 3.48 -0.72 0.00 -1.17 0.88 105.19 110.82 43ca n GLY 49 Ca -0.23 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.72 1.04 -0.09 1.61 0.23 -0.52 -1.43 119.30 118.42 43ca s MET 50 Ca 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 55.69 54.24 43ca s MET 50 Cb 0.00 0.47 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 43ca s MET 50 CO 0.00 -0.46 0.05 -1.50 -2.03 0.00 0.00 175.02 171.08 43ca s ILE 51 N -3.41 0.05 0.86 3.16 2.07 0.32 -1.40 121.20 122.85 43ca s ILE 51 Ca 0.04 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 43ca s ILE 51 Cb -0.01 -0.39 0.11 0.00 0.13 0.00 0.00 42.46 42.29 43ca s ILE 51 CO -0.10 0.07 1.09 0.26 -1.91 0.00 0.00 174.94 174.35 43ca s TRP 52 N 2.10 2.35 0.20 3.50 0.52 0.86 -1.00 118.94 127.47 43ca s TRP 52 Ca 0.04 1.38 -0.11 0.00 0.02 0.00 0.00 56.10 57.43 43ca s TRP 52 Cb -0.13 -3.13 0.26 0.00 -1.15 0.00 0.00 33.47 29.31 43ca s TRP 52 CO -0.05 -2.24 1.70 0.78 0.02 0.00 0.00 176.95 177.15 43ca h GLY 53 N -1.44 0.67 -3.17 0.98 0.00 -1.75 -0.16 103.07 98.20 43ca h GLY 53 Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 43ca h GLY 53 CO 0.53 -0.12 0.15 0.61 0.00 0.00 0.00 176.54 177.71 43ca n GLY 54 N -1.32 3.08 4.45 4.60 0.00 -1.26 -4.50 105.19 110.24 43ca n GLY 54 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.08 0.88 3.76 -0.02 0.00 -0.07 -4.97 105.19 105.84 43ca n GLY 55 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 43ca n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 43ca s SER 56 N -2.39 5.52 -0.02 1.61 0.01 -1.26 -4.70 113.70 112.47 43ca s SER 56 Ca 0.00 2.68 0.05 0.00 1.31 0.00 0.00 55.95 60.00 43ca s SER 56 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 43ca s SER 56 CO 0.00 -1.40 -0.17 -0.63 0.41 0.00 0.00 173.24 171.46 43ca s ILE 57 N -1.34 1.34 0.11 1.44 1.01 -1.26 -0.10 121.20 122.39 43ca s ILE 57 Ca 0.69 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.68 43ca s ILE 57 Cb -0.38 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 43ca s ILE 57 CO 0.46 0.38 -0.14 -1.61 0.00 0.00 0.00 174.94 174.03 43ca s GLU 58 N -0.35 0.96 0.16 2.79 2.02 -0.49 -4.99 118.70 118.80 43ca s GLU 58 Ca 0.05 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 53.91 43ca s GLU 58 Cb -0.07 -0.84 -0.05 0.00 0.10 0.00 0.00 34.13 33.28 43ca s GLU 58 CO -0.00 0.16 -0.06 0.71 0.02 0.00 0.00 175.26 176.09 43ca s TYR 59 N -2.00 1.28 -0.19 1.61 2.02 -1.26 -1.44 117.35 117.38 43ca s TYR 59 Ca 0.06 -0.84 -0.29 0.00 -0.37 0.00 0.00 57.07 55.62 43ca s TYR 59 Cb -0.06 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 43ca s TYR 59 CO 0.02 -0.01 1.25 1.21 -1.57 0.00 0.00 175.55 176.46 43ca s ASN 60 N -3.19 6.91 0.30 2.29 3.84 0.25 -4.88 114.94 120.47 43ca s ASN 60 Ca 0.20 1.59 0.06 0.00 0.21 0.00 0.00 52.86 54.92 43ca s ASN 60 Cb 0.04 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.96 43ca s ASN 60 CO 0.02 -0.81 1.75 1.55 -2.79 0.00 0.00 177.10 176.83 43ca h PRO 61 N 8.34 0.65 0.00 0.43 0.13 -1.94 0.12 132.00 139.72 43ca h PRO 61 Ca -0.26 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 43ca h PRO 61 Cb 1.10 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.08 43ca h PRO 61 CO 0.98 0.43 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 43ca n ALA 62 N -2.35 1.37 -0.05 -0.56 0.00 -1.26 -3.10 120.51 114.57 43ca n ALA 62 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.78 43ca n ALA 62 Cb 0.62 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.75 43ca n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 43ca n LEU 63 N -2.11 0.22 -0.32 0.00 4.77 0.24 -4.81 117.00 114.99 43ca n LEU 63 Ca 0.01 -0.52 0.22 0.00 -0.03 0.00 0.00 56.01 55.68 43ca n LEU 63 Cb 0.13 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.65 43ca n LEU 63 CO 0.14 0.05 1.01 0.50 -1.33 0.00 0.00 177.39 177.76 43ca h LYS 64 N 0.00 0.15 -0.93 3.23 3.64 -1.03 -1.47 116.57 120.15 43ca h LYS 64 Ca 0.00 -0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.63 43ca h LYS 64 Cb 0.02 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 31.67 43ca h LYS 64 CO 0.00 0.10 0.42 0.77 -2.27 0.00 0.00 179.45 178.47 43ca h SER 65 N 0.16 0.32 0.00 4.20 0.02 -1.87 -2.59 113.55 113.78 43ca h SER 65 Ca 0.70 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.82 43ca h SER 65 Cb 1.61 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.31 43ca h SER 65 CO -0.72 -0.07 -0.95 0.54 -1.14 0.00 0.00 176.83 174.49 43ca n ARG 66 N -5.08 1.44 -2.92 3.45 1.74 -0.59 -4.97 116.66 109.72 43ca n ARG 66 Ca 0.25 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 57.07 43ca n ARG 66 Cb 0.76 -1.29 0.01 0.00 -1.02 0.00 0.00 32.46 30.93 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 -3.02 3.59 -0.30 0.55 1.43 -0.98 -1.12 118.68 118.82 43ca s LEU 67 Ca 0.04 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 43ca s LEU 67 Cb 0.12 -3.15 0.17 0.00 0.03 0.00 0.00 46.19 43.37 43ca s LEU 67 CO 0.67 -0.77 0.79 -0.55 0.23 0.00 0.00 176.35 176.73 43ca s SER 68 N -4.24 -0.97 0.02 2.29 0.15 -0.68 -4.91 113.70 105.36 43ca s SER 68 Ca 0.50 0.81 0.06 0.00 0.70 0.00 0.00 55.95 58.02 43ca s SER 68 Cb -0.10 1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 66.07 43ca s SER 68 CO 0.38 -0.18 -0.15 -0.63 1.20 0.00 0.00 173.24 173.86 43ca s ILE 69 N 2.82 3.02 0.31 6.45 1.01 -1.26 -1.17 121.20 132.39 43ca s ILE 69 Ca 0.07 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 43ca s ILE 69 Cb -0.12 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.11 43ca s ILE 69 CO -0.17 0.37 0.73 -0.94 0.00 0.00 0.00 174.94 174.92 43ca s SER 70 N -1.38 -0.15 0.25 3.58 1.04 -0.96 -4.99 113.70 111.09 43ca s SER 70 Ca 0.15 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 43ca s SER 70 Cb -0.11 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 43ca s SER 70 CO 0.06 -1.45 0.29 -1.59 0.98 0.00 0.00 173.24 171.53 43ca s LYS 71 N -3.41 1.47 -0.35 4.02 -2.85 -1.26 -0.19 119.74 117.18 43ca s LYS 71 Ca 0.13 -1.61 0.01 0.00 -1.00 0.00 0.00 55.97 53.50 43ca s LYS 71 Cb -0.05 0.35 0.14 0.00 -2.06 0.00 0.00 37.83 36.21 43ca s LYS 71 CO 0.09 -0.55 0.28 0.34 0.10 0.00 0.00 175.35 175.61 43ca s ASP 72 N -3.17 2.14 0.32 0.03 2.15 -0.42 -4.98 116.67 112.75 43ca s ASP 72 Ca 0.34 -1.72 0.06 0.00 0.43 0.00 0.00 52.55 51.65 43ca s ASP 72 Cb 0.03 0.09 0.71 0.00 -0.30 0.00 0.00 42.92 43.45 43ca s ASP 72 CO 0.15 -0.31 1.83 0.78 -0.17 0.00 0.00 175.17 177.45 43ca h ASN 73 N 7.27 0.79 -0.31 -0.34 2.35 -1.97 0.15 115.58 123.52 43ca h ASN 73 Ca 0.02 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 43ca h ASN 73 Cb 1.02 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 43ca h ASN 73 CO 0.26 0.37 0.05 0.77 -1.65 0.00 0.00 177.43 177.23 43ca h SER 74 N 0.82 0.56 -0.02 5.81 4.64 -1.95 -2.58 113.55 120.82 43ca h SER 74 Ca 0.50 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 43ca h SER 74 Cb 0.70 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 43ca h SER 74 CO -0.27 0.60 -0.20 0.29 -0.87 0.00 0.00 176.83 176.37 43ca n LYS 75 N -4.29 1.75 -3.83 4.77 5.02 -0.70 -4.99 118.16 115.90 43ca n LYS 75 Ca 0.02 -1.44 -0.25 0.00 -2.02 0.00 0.00 58.31 54.62 43ca n LYS 75 Cb 0.23 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.67 -2.21 -4.33 4.39 7.64 0.44 -4.78 113.62 115.44 43ca n SER 76 Ca 0.11 -0.84 -0.24 0.00 1.01 0.00 0.00 58.87 58.91 43ca n SER 76 Cb 0.51 -3.80 -0.12 0.00 -1.01 0.00 0.00 64.21 59.79 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 -6.30 1.27 0.04 1.43 -0.21 -1.13 -0.36 119.66 114.40 43ca s GLN 77 Ca 0.23 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.32 43ca s GLN 77 Cb -0.12 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.41 43ca s GLN 77 CO 0.83 0.32 -0.15 0.42 -2.12 0.00 0.00 175.29 174.60 43ca s ILE 78 N -1.64 1.15 0.15 1.08 1.09 0.23 -1.30 121.20 121.97 43ca s ILE 78 Ca 0.13 -1.01 0.08 0.00 -1.10 0.00 0.00 60.65 58.75 43ca s ILE 78 Cb -0.08 -1.04 -0.04 0.00 -1.06 0.00 0.00 42.46 40.24 43ca s ILE 78 CO 0.06 0.02 -0.19 -0.36 -0.10 0.00 0.00 174.94 174.38 43ca s PHE 79 N -0.84 1.79 -0.01 3.97 0.08 0.74 0.21 117.98 123.92 43ca s PHE 79 Ca 0.02 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.61 43ca s PHE 79 Cb -0.08 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.46 43ca s PHE 79 CO 0.01 0.29 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.25 43ca s LEU 80 N -2.46 1.82 -0.03 -0.37 2.96 -0.73 -2.27 118.68 117.60 43ca s LEU 80 Ca 0.13 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 43ca s LEU 80 Cb -0.07 -0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.57 43ca s LEU 80 CO 0.06 -0.01 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.49 43ca s LYS 81 N 0.20 0.68 -0.05 1.98 1.02 -0.31 -0.98 119.74 122.28 43ca s LYS 81 Ca -0.02 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 55.87 43ca s LYS 81 Cb -0.03 -0.69 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 43ca s LYS 81 CO -0.01 -0.01 -0.13 1.41 -0.92 0.00 0.00 175.35 175.70 43ca s MET 82 N 0.55 1.52 0.45 1.68 1.75 -0.90 -1.69 119.30 122.66 43ca s MET 82 Ca -0.07 -0.44 0.08 0.00 -1.25 0.00 0.00 55.69 54.00 43ca s MET 82 Cb -0.10 -1.31 0.00 0.00 2.84 0.00 0.00 34.83 36.26 43ca s MET 82 CO -0.00 0.12 0.44 -0.80 -0.65 0.00 0.00 175.02 174.13 43ca s ASN 82 N 0.34 5.06 -1.28 1.11 0.01 -0.28 0.37 114.94 120.27 43ca s ASN 82 Ca -0.08 -0.79 -0.08 0.00 -0.71 0.00 0.00 52.86 51.21 43ca s ASN 82 Cb -0.12 -0.36 -0.00 0.00 0.41 0.00 0.00 41.25 41.17 43ca s ASN 82 CO 0.02 -0.79 0.62 -1.20 -1.51 0.00 0.00 177.10 174.24 43ca n SER 82 N -1.68 -2.34 -4.75 -1.22 7.64 -1.21 -4.87 113.62 105.19 43ca n SER 82 Ca 0.04 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.55 43ca n SER 82 Cb 0.62 -3.42 -0.02 0.00 -1.01 0.00 0.00 64.21 60.38 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 -6.70 4.36 0.19 -3.43 1.43 -0.89 -4.67 118.68 108.97 43ca s LEU 82 Ca 0.18 2.87 0.08 0.00 -1.03 0.00 0.00 54.13 56.23 43ca s LEU 82 Cb -0.06 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 43ca s LEU 82 CO 0.86 -0.83 -0.16 0.00 0.23 0.00 0.00 176.35 176.45 43ca s GLN 83 N -0.68 1.31 0.64 1.70 -2.07 -1.26 0.20 119.66 119.50 43ca s GLN 83 Ca 0.60 -1.52 0.31 0.00 -1.82 0.00 0.00 55.36 52.94 43ca s GLN 83 Cb -0.46 -1.20 1.69 0.00 -1.09 0.00 0.00 33.01 31.95 43ca s GLN 83 CO 0.48 0.22 2.00 1.79 -1.32 0.00 0.00 175.29 178.46 43ca h THR 84 N 2.82 0.16 0.00 3.63 1.35 -1.96 0.25 112.91 119.17 43ca h THR 84 Ca -0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 43ca h THR 84 Cb 1.22 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 43ca h THR 84 CO 0.58 0.00 -0.02 -0.78 -0.25 0.00 0.00 175.52 175.04 43ca h ASP 85 N 0.00 0.00 -0.15 5.36 3.58 -1.94 -3.03 116.42 120.25 43ca h ASP 85 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 43ca h ASP 85 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 43ca h ASP 85 CO -0.00 0.02 0.00 0.47 -2.88 0.00 0.00 179.24 176.85 43ca n ASP 86 N -3.20 1.34 -4.75 2.28 8.00 0.89 -4.92 116.55 116.19 43ca n ASP 86 Ca -0.01 -1.68 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 43ca n ASP 86 Cb 0.19 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.51 6.68 -0.10 -2.24 0.01 -1.15 -4.85 113.70 110.55 43ca s SER 87 Ca 0.30 2.68 -0.32 0.00 1.31 0.00 0.00 55.95 59.92 43ca s SER 87 Cb 0.16 -2.63 0.14 0.00 0.21 0.00 0.00 66.02 63.89 43ca s SER 87 CO 0.24 -0.65 1.43 0.00 0.41 0.00 0.00 173.24 174.67 43ca s ALA 88 N -0.41 -2.59 -0.27 1.44 0.00 -0.63 -4.87 121.76 114.42 43ca s ALA 88 Ca 0.56 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.10 43ca s ALA 88 Cb -0.41 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 43ca s ALA 88 CO 0.47 -1.09 0.55 1.41 0.00 0.00 0.00 175.76 177.10 43ca s MET 89 N -2.01 4.02 -0.20 0.00 -2.45 0.12 -0.74 119.30 118.04 43ca s MET 89 Ca 0.19 0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 54.82 43ca s MET 89 Cb 0.06 -3.67 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 43ca s MET 89 CO -0.06 -0.41 0.29 0.71 1.05 0.00 0.00 175.02 176.60 43ca s TYR 90 N 2.38 3.38 0.06 4.11 1.51 0.99 -0.70 117.35 129.09 43ca s TYR 90 Ca 0.22 0.48 0.08 0.00 -1.01 0.00 0.00 57.07 56.84 43ca s TYR 90 Cb -0.15 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 43ca s TYR 90 CO 0.10 0.09 -0.22 0.71 -1.11 0.00 0.00 175.55 175.12 43ca s TYR 91 N 0.98 1.89 -0.10 2.71 2.02 0.14 -1.17 117.35 123.82 43ca s TYR 91 Ca 0.14 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 43ca s TYR 91 Cb -0.14 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 43ca s TYR 91 CO 0.05 0.14 -0.09 0.00 -1.57 0.00 0.00 175.55 174.08 43ca s VAL 93 N -0.27 0.95 0.18 0.00 1.01 -0.35 -0.74 120.40 121.18 43ca s VAL 93 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.65 43ca s VAL 93 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 43ca s VAL 93 CO 0.03 0.29 -0.12 -0.94 0.00 0.00 0.00 175.10 174.35 43ca s SER 94 N 0.14 4.11 -0.06 3.32 1.04 -0.24 0.07 113.70 122.08 43ca s SER 94 Ca -0.03 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 43ca s SER 94 Cb -0.09 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.42 43ca s SER 94 CO 0.01 0.11 0.13 -0.31 0.98 0.00 0.00 173.24 174.16 43ca s TYR 95 N -1.65 -0.15 -0.06 5.02 1.51 -0.81 -1.95 117.35 119.26 43ca s TYR 95 Ca 0.24 0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 56.41 43ca s TYR 95 Cb -0.09 -0.04 0.11 0.00 -0.11 0.00 0.00 41.96 41.83 43ca s TYR 95 CO 0.14 -0.13 1.35 0.20 -1.11 0.00 0.00 175.55 176.00 43ca s GLY 96 N 0.77 -0.25 0.17 0.71 0.00 0.24 -1.38 107.32 107.59 43ca s GLY 96 Ca -0.06 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.01 43ca s GLY 96 CO -0.04 4.98 0.10 -0.19 0.00 0.00 0.00 173.10 177.95 43ca s TYR 97 N -2.04 3.05 0.00 1.90 2.02 -1.26 -4.45 117.35 116.57 43ca s TYR 97 Ca 0.27 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 43ca s TYR 97 Cb 0.01 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 43ca s TYR 97 CO -0.03 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.88 43ca n GLY 98 N -0.33 0.86 3.49 0.71 0.00 -1.26 -5.03 105.19 103.63 43ca n GLY 98 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 0.40 0.31 -0.02 0.00 -1.26 -4.96 105.19 97.67 43ca n GLY 99 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 44.08 43ca n GLY 99 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 43ca h ASP 100 N -0.66 0.46 -3.47 1.61 5.19 -1.98 -3.43 116.42 114.14 43ca h ASP 100 Ca -0.31 -0.01 -0.41 0.00 -0.62 0.00 0.00 57.03 55.68 43ca h ASP 100 Cb 1.10 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.35 43ca h ASP 100 CO 0.31 0.33 -0.70 -0.13 -3.12 0.00 0.00 179.24 175.93 43ca s ARG 100 N -5.49 1.31 0.07 3.56 0.52 -1.26 -5.06 118.95 112.60 43ca s ARG 100 Ca -0.08 -1.62 -0.09 0.00 -0.52 0.00 0.00 55.73 53.42 43ca s ARG 100 Cb 0.18 -0.90 -0.28 0.00 0.52 0.00 0.00 34.95 34.47 43ca s ARG 100 CO 0.73 0.07 1.12 0.35 0.02 0.00 0.00 175.30 177.60 43ca h PHE 100 N 2.53 0.72 -3.95 -0.53 3.57 -1.84 -3.45 116.94 113.99 43ca h PHE 100 Ca -0.38 -0.49 -0.20 0.00 3.53 0.00 0.00 57.97 60.42 43ca h PHE 100 Cb 1.22 -0.04 -0.16 0.00 2.79 0.00 0.00 35.95 39.76 43ca h PHE 100 CO 0.66 1.37 -0.70 -1.54 -2.23 0.00 0.00 178.31 175.87 43ca s SER 101 N -7.30 0.89 -0.04 0.41 1.04 -1.26 -0.59 113.70 106.85 43ca s SER 101 Ca -0.06 -0.92 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 43ca s SER 101 Cb 0.06 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.32 43ca s SER 101 CO 0.91 -0.46 0.02 -0.31 0.98 0.00 0.00 173.24 174.38 43ca s TYR 102 N -3.30 0.32 -0.16 5.02 2.02 -0.82 -4.99 117.35 115.44 43ca s TYR 102 Ca 0.06 0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.71 43ca s TYR 102 Cb 0.03 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 43ca s TYR 102 CO -0.05 -0.19 0.13 -0.46 -1.57 0.00 0.00 175.55 173.41 43ca s TRP 103 N 1.51 3.48 0.57 2.71 -0.11 -1.26 -1.08 118.94 124.76 43ca s TRP 103 Ca -0.03 0.40 -0.10 0.00 1.22 0.00 0.00 56.10 57.59 43ca s TRP 103 Cb -0.13 -2.04 0.14 0.00 -1.50 0.00 0.00 33.47 29.94 43ca s TRP 103 CO -0.03 0.49 0.50 0.41 -4.62 0.00 0.00 176.95 173.70 43ca n GLY 104 N 2.77 -2.64 0.15 5.86 0.00 0.08 -4.76 105.19 106.64 43ca n GLY 104 Ca -0.18 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.45 43ca n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 43ca h GLN 105 N 0.00 0.00 0.00 1.61 4.20 -1.85 -3.47 115.11 115.60 43ca h GLN 105 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 43ca h GLN 105 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 43ca h GLN 105 CO 0.12 0.21 0.00 0.41 -0.67 0.00 0.00 178.83 178.90 43ca n GLY 106 N 1.22 -0.32 2.89 3.46 0.00 -1.26 -5.03 105.19 106.14 43ca n GLY 106 Ca -0.00 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.01 0.57 0.04 2.61 -1.32 -0.32 -4.71 115.64 109.50 43ca s THR 107 Ca 0.00 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.10 43ca s THR 107 Cb 0.00 -0.60 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 43ca s THR 107 CO 0.00 0.24 0.78 -0.22 -2.21 0.00 0.00 174.62 173.21 43ca s LEU 108 N 1.03 4.44 -0.27 9.08 2.96 -1.26 -0.01 118.68 134.65 43ca s LEU 108 Ca -0.09 1.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 43ca s LEU 108 Cb -0.14 -3.26 0.05 0.00 0.50 0.00 0.00 46.19 43.34 43ca s LEU 108 CO -0.00 -0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.25 43ca s VAL 109 N 0.05 2.47 -0.57 1.68 1.01 0.08 -4.06 120.40 121.05 43ca s VAL 109 Ca 0.39 -1.48 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 43ca s VAL 109 Cb -0.20 -2.40 0.15 0.00 0.00 0.00 0.00 36.38 33.92 43ca s VAL 109 CO 0.23 -0.01 0.45 -0.89 0.00 0.00 0.00 175.10 174.88 43ca s THR 110 N 1.17 4.41 -0.30 3.92 2.01 -0.56 -1.60 115.64 124.70 43ca s THR 110 Ca -0.06 -2.13 -0.27 0.00 0.31 0.00 0.00 61.69 59.54 43ca s THR 110 Cb -0.19 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.47 43ca s THR 110 CO -0.04 -0.85 0.95 -0.69 -0.69 0.00 0.00 174.62 173.30 43ca s VAL 111 N 0.88 4.66 0.00 3.82 1.01 -1.26 -1.23 120.40 128.28 43ca s VAL 111 Ca 0.10 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.64 43ca s VAL 111 Cb -0.22 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.88 43ca s VAL 111 CO -0.03 -0.32 0.00 -1.54 0.00 0.00 0.00 175.10 173.21