#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiv n PRO 2 N 0.00 0.63 -2.38 1.61 -0.04 -1.26 -4.84 135.00 128.72 2aiv n PRO 2 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2aiv n PRO 2 Cb 0.00 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 2aiv n PRO 2 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2aiv s ASN 3 N 0.39 7.07 0.37 3.54 0.02 -1.26 -4.93 114.94 120.15 2aiv s ASN 3 Ca 0.00 2.19 0.17 0.00 -1.02 0.00 0.00 52.86 54.19 2aiv s ASN 3 Cb 0.00 -2.60 0.72 0.00 0.02 0.00 0.00 41.25 39.39 2aiv s ASN 3 CO 0.00 -0.41 1.77 -0.33 0.02 0.00 0.00 177.10 178.16 2aiv h GLU 4 N 5.68 0.00 -0.82 -0.60 5.08 -2.05 -3.12 114.58 118.75 2aiv h GLU 4 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2aiv h GLU 4 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2aiv h GLU 4 CO 0.77 0.39 0.41 -0.91 -1.00 0.00 0.00 179.01 178.66 2aiv h ASN 5 N 0.00 1.06 -4.54 1.42 -0.26 -1.97 -3.44 115.58 107.85 2aiv h ASN 5 Ca -0.00 -0.12 -0.30 0.00 -0.56 0.00 0.00 56.30 55.32 2aiv h ASN 5 Cb 0.81 -0.27 -0.23 0.00 -1.06 0.00 0.00 38.32 37.57 2aiv h ASN 5 CO 0.05 0.88 -0.74 -0.72 -1.06 0.00 0.00 177.43 175.84 2aiv s TYR 6 N -5.69 0.70 0.04 1.19 1.13 -1.18 -2.52 117.35 111.03 2aiv s TYR 6 Ca -0.12 -0.40 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 2aiv s TYR 6 Cb 0.17 -0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 2aiv s TYR 6 CO 0.82 -0.05 -0.00 1.52 -2.51 0.00 0.00 175.55 175.33 2aiv s TYR 7 N -1.08 0.41 0.15 -3.49 -0.85 -1.18 -4.35 117.35 106.96 2aiv s TYR 7 Ca -0.06 -0.86 0.05 0.00 -0.52 0.00 0.00 57.07 55.68 2aiv s TYR 7 Cb -0.08 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 2aiv s TYR 7 CO 0.00 -0.35 -0.11 0.42 -1.52 0.00 0.00 175.55 174.00 2aiv s ILE 8 N -3.23 1.27 -0.61 -3.49 1.09 -1.26 -3.38 121.20 111.59 2aiv s ILE 8 Ca 0.01 -2.04 0.06 0.00 -1.10 0.00 0.00 60.65 57.58 2aiv s ILE 8 Cb 0.03 -1.83 0.25 0.00 -1.06 0.00 0.00 42.46 39.85 2aiv s ILE 8 CO -0.07 -0.68 0.73 -1.20 -0.10 0.00 0.00 174.94 173.61 2aiv n SER 9 N -0.13 3.40 -4.76 3.58 7.64 0.72 -3.58 113.62 120.48 2aiv n SER 9 Ca -0.11 -3.37 -0.30 0.00 1.01 0.00 0.00 58.87 56.10 2aiv n SER 9 Cb 0.60 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2aiv n PRO 10 N 0.88 0.72 -0.62 1.43 -0.04 -1.26 -3.16 135.00 132.96 2aiv n PRO 10 Ca 0.29 -3.62 -0.31 0.00 -0.04 0.00 0.00 63.50 59.82 2aiv n PRO 10 Cb 0.42 0.73 0.20 0.00 -0.04 0.00 0.00 33.50 34.81 2aiv n PRO 10 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aiv n SER 11 N -1.53 -2.13 -0.32 3.54 3.41 -1.24 -4.58 113.62 110.78 2aiv n SER 11 Ca -0.13 -0.10 -0.04 0.00 -0.26 0.00 0.00 58.87 58.33 2aiv n SER 11 Cb 0.64 -1.07 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aiv h LEU 12 N -2.24 1.06 -0.40 1.04 4.07 -1.97 -0.76 115.31 116.11 2aiv h LEU 12 Ca -0.56 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.28 2aiv h LEU 12 Cb 1.35 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 2aiv h LEU 12 CO 0.42 0.84 0.11 0.44 -1.08 0.00 0.00 178.44 179.17 2aiv h ASP 13 N 1.19 0.60 -0.90 -0.43 3.32 -1.99 -2.29 116.42 115.91 2aiv h ASP 13 Ca 0.30 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2aiv h ASP 13 Cb 0.01 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2aiv h ASP 13 CO -0.05 0.66 0.57 0.74 -1.72 0.00 0.00 179.24 179.43 2aiv h THR 14 N 0.51 1.24 -0.80 0.35 2.02 -1.78 -2.52 112.91 111.93 2aiv h THR 14 Ca 0.13 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2aiv h THR 14 Cb 0.28 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 2aiv h THR 14 CO -0.00 0.24 0.42 0.25 0.37 0.00 0.00 175.52 176.80 2aiv h LEU 15 N 1.22 1.02 -1.02 2.58 5.85 -0.93 -2.55 115.31 121.49 2aiv h LEU 15 Ca 0.32 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2aiv h LEU 15 Cb -0.09 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.63 2aiv h LEU 15 CO -0.07 0.84 0.61 0.28 -0.34 0.00 0.00 178.44 179.76 2aiv h SER 16 N 1.12 1.12 0.00 1.25 0.02 -1.00 -0.82 113.55 115.24 2aiv h SER 16 Ca 0.28 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2aiv h SER 16 Cb 0.06 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2aiv h SER 16 CO -0.04 0.83 0.01 -0.24 -1.14 0.00 0.00 176.83 176.25 2aiv n SER 17 N -4.37 0.00 -4.67 3.07 2.88 -0.96 -4.71 113.62 104.85 2aiv n SER 17 Ca 0.11 0.44 -0.31 0.00 -1.33 0.00 0.00 58.87 57.77 2aiv n SER 17 Cb 0.03 -0.44 0.17 0.00 -0.75 0.00 0.00 64.21 63.23 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2aiv s TYR 18 N -2.87 1.59 0.97 0.66 1.51 -0.31 -5.02 117.35 113.88 2aiv s TYR 18 Ca 0.00 1.80 -0.16 0.00 -1.01 0.00 0.00 57.07 57.70 2aiv s TYR 18 Cb 0.00 -3.36 0.19 0.00 -0.11 0.00 0.00 41.96 38.68 2aiv s TYR 18 CO 0.00 -2.85 1.27 -1.54 -1.11 0.00 0.00 175.55 171.31 2aiv s SER 19 N -2.62 3.03 0.13 2.29 1.04 -1.26 -4.68 113.70 111.63 2aiv s SER 19 Ca 0.67 0.42 -0.19 0.00 0.48 0.00 0.00 55.95 57.34 2aiv s SER 19 Cb -0.23 -0.58 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 2aiv s SER 19 CO 0.58 -2.80 1.78 -0.07 0.98 0.00 0.00 173.24 173.71 2aiv h LEU 20 N -1.68 0.29 -0.34 2.42 3.38 -1.96 0.19 115.31 117.61 2aiv h LEU 20 Ca -0.45 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 2aiv h LEU 20 Cb 1.26 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2aiv h LEU 20 CO 0.43 0.22 -0.43 0.25 0.09 0.00 0.00 178.44 178.99 2aiv h LEU 21 N 0.34 0.96 -0.67 1.67 7.12 -2.00 -2.99 115.31 119.74 2aiv h LEU 21 Ca 0.09 -0.49 -0.03 0.00 0.13 0.00 0.00 57.88 57.58 2aiv h LEU 21 Cb -0.03 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.79 2aiv h LEU 21 CO -0.02 1.26 0.32 -0.61 -0.13 0.00 0.00 178.44 179.26 2aiv h GLN 22 N 0.69 0.98 -0.88 1.25 4.15 -1.79 -0.86 115.11 118.63 2aiv h GLN 22 Ca 0.04 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2aiv h GLN 22 Cb 1.03 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 2aiv h GLN 22 CO 0.10 0.78 0.48 -0.07 -1.93 0.00 0.00 178.83 178.19 2aiv h LEU 23 N 0.94 1.11 -0.50 -2.39 3.38 -0.63 -2.75 115.31 114.47 2aiv h LEU 23 Ca 0.23 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2aiv h LEU 23 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2aiv h LEU 23 CO -0.03 0.89 -0.35 0.03 0.09 0.00 0.00 178.44 179.07 2aiv h ARG 24 N 1.24 0.84 -3.45 1.13 3.08 -1.32 -3.17 114.38 112.73 2aiv h ARG 24 Ca 0.31 -0.42 -0.71 0.00 0.07 0.00 0.00 59.98 59.23 2aiv h ARG 24 Cb 0.04 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.74 2aiv h ARG 24 CO -0.05 1.06 -0.18 0.15 -1.07 0.00 0.00 179.97 179.88 2aiv s LYS 25 N -4.41 3.04 -0.84 0.04 1.02 -0.36 -2.96 119.74 115.26 2aiv s LYS 25 Ca -0.10 -2.94 -0.25 0.00 0.02 0.00 0.00 55.97 52.70 2aiv s LYS 25 Cb 0.12 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2aiv s LYS 25 CO 0.86 -1.23 1.82 0.14 -0.92 0.00 0.00 175.35 176.02 2aiv s VAL 26 N -0.76 3.51 0.00 3.17 -7.23 -1.23 -4.75 120.40 113.10 2aiv s VAL 26 Ca 0.23 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2aiv s VAL 26 Cb -0.13 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.63 2aiv s VAL 26 CO -0.09 -1.13 0.00 -0.81 -0.31 0.00 0.00 175.10 172.77 2aiv n PRO 27 N 8.97 0.00 -3.30 4.82 -0.04 -1.26 -4.15 135.00 140.04 2aiv n PRO 27 Ca 0.32 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 2aiv n PRO 27 Cb 0.49 -0.21 -0.08 0.00 -0.04 0.00 0.00 33.50 33.66 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2aiv s HIS 28 N 0.00 3.16 -0.23 0.54 3.76 -1.26 -4.55 115.29 116.70 2aiv s HIS 28 Ca 0.00 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.42 2aiv s HIS 28 Cb 0.00 -3.01 -0.01 0.00 1.11 0.00 0.00 32.58 30.67 2aiv s HIS 28 CO 0.00 -0.76 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.61 2aiv s LEU 29 N 2.17 3.07 -0.17 0.89 1.43 -0.89 -4.49 118.68 120.68 2aiv s LEU 29 Ca 0.12 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2aiv s LEU 29 Cb -0.18 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2aiv s LEU 29 CO 0.13 -0.03 -0.18 -0.69 0.23 0.00 0.00 176.35 175.80 2aiv s VAL 30 N 1.51 1.94 -0.06 -1.59 1.01 -1.19 -0.20 120.40 121.82 2aiv s VAL 30 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2aiv s VAL 30 Cb -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2aiv s VAL 30 CO -0.01 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 2aiv s VAL 31 N 1.34 1.00 -0.08 2.92 1.01 -0.19 -0.20 120.40 126.20 2aiv s VAL 31 Ca 0.05 -0.40 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 2aiv s VAL 31 Cb -0.13 -0.93 0.12 0.00 0.00 0.00 0.00 36.38 35.43 2aiv s VAL 31 CO -0.12 0.33 1.04 -0.83 0.00 0.00 0.00 175.10 175.51 2aiv s GLY 32 N 0.73 -0.38 0.01 4.51 0.00 -1.22 -2.10 107.32 108.87 2aiv s GLY 32 Ca -0.14 1.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 2aiv s GLY 32 CO 0.03 0.41 0.01 -1.58 0.00 0.00 0.00 173.10 171.96 2aiv s HIS 33 N -2.80 0.19 0.23 1.90 2.46 0.13 -3.09 115.29 114.31 2aiv s HIS 33 Ca 0.07 -0.40 -0.07 0.00 0.47 0.00 0.00 55.06 55.13 2aiv s HIS 33 Cb -0.01 -0.14 0.20 0.00 -0.13 0.00 0.00 32.58 32.50 2aiv s HIS 33 CO -0.07 -0.19 1.85 0.87 -2.47 0.00 0.00 174.74 174.74 2aiv h LYS 34 N 4.72 1.23 -0.65 2.88 1.57 -1.76 0.90 116.57 125.45 2aiv h LYS 34 Ca -0.31 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 2aiv h LYS 34 Cb 1.21 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 2aiv h LYS 34 CO 0.42 0.89 0.11 0.77 -0.57 0.00 0.00 179.45 181.07 2aiv h SER 35 N 1.23 1.03 0.00 0.86 0.02 -1.97 -3.38 113.55 111.35 2aiv h SER 35 Ca 0.31 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2aiv h SER 35 Cb 0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2aiv h SER 35 CO -0.05 1.03 0.00 -1.22 -1.14 0.00 0.00 176.83 175.45 2aiv n TYR 36 N -4.24 0.00 0.00 3.45 4.01 -1.00 -4.99 117.16 114.39 2aiv n TYR 36 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2aiv n TYR 36 Cb 0.29 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aiv n GLY 37 N 1.98 0.21 3.60 2.72 0.00 0.31 -3.87 105.19 110.15 2aiv n GLY 37 Ca 0.00 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 2aiv n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aiv s LYS 38 N -2.00 4.01 -0.04 1.61 1.02 -1.13 -0.69 119.74 122.51 2aiv s LYS 38 Ca 0.00 0.07 0.03 0.00 0.02 0.00 0.00 55.97 56.10 2aiv s LYS 38 Cb 0.00 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2aiv s LYS 38 CO 0.00 -0.30 -0.13 0.42 -0.92 0.00 0.00 175.35 174.42 2aiv s ILE 39 N 2.12 1.10 -0.07 2.17 1.01 -0.89 -2.59 121.20 124.05 2aiv s ILE 39 Ca 0.16 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2aiv s ILE 39 Cb -0.16 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.37 2aiv s ILE 39 CO 0.10 0.33 -0.10 -1.61 0.00 0.00 0.00 174.94 173.66 2aiv s GLU 40 N 0.19 1.48 -0.16 2.79 2.02 -1.09 -1.02 118.70 122.92 2aiv s GLU 40 Ca -0.05 -0.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.60 2aiv s GLU 40 Cb -0.11 -1.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 2aiv s GLU 40 CO 0.02 -0.05 -0.05 -0.06 0.02 0.00 0.00 175.26 175.13 2aiv s PHE 41 N 0.92 2.98 -2.80 1.61 0.40 0.73 -2.29 117.98 119.53 2aiv s PHE 41 Ca -0.10 -0.41 0.24 0.00 -0.60 0.00 0.00 56.93 56.06 2aiv s PHE 41 Cb -0.15 -1.95 0.17 0.00 0.51 0.00 0.00 43.02 41.60 2aiv s PHE 41 CO 0.01 -0.11 1.24 1.28 0.70 0.00 0.00 175.22 178.34 2aiv n LEU 42 N 3.65 2.77 -4.86 -0.37 7.99 -1.14 -2.10 117.00 122.94 2aiv n LEU 42 Ca -0.18 -0.94 -0.31 0.00 -0.01 0.00 0.00 56.01 54.58 2aiv n LEU 42 Cb 0.52 -0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.85 2aiv n LEU 42 CO 0.32 0.47 0.72 -1.83 -1.51 0.00 0.00 177.39 175.56 2aiv s GLU 43 N -2.10 3.43 0.53 3.23 4.04 -0.94 -4.86 118.70 122.02 2aiv s GLU 43 Ca 0.26 0.78 0.03 0.00 0.04 0.00 0.00 54.97 56.08 2aiv s GLU 43 Cb 0.20 -2.06 0.01 0.00 0.02 0.00 0.00 34.13 32.30 2aiv s GLU 43 CO 0.35 -0.70 0.17 -1.25 -1.84 0.00 0.00 175.26 171.99 2aiv s PRO 44 N -5.16 2.22 -0.27 -4.83 0.04 -1.26 -4.75 135.00 121.00 2aiv s PRO 44 Ca 0.56 -2.25 -0.32 0.00 0.04 0.00 0.00 61.00 59.02 2aiv s PRO 44 Cb -0.12 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.83 2aiv s PRO 44 CO 0.54 -0.47 1.32 0.14 0.04 0.00 0.00 177.00 178.57 2aiv s VAL 45 N -2.84 0.00 -0.35 -0.36 -7.23 -1.25 -4.18 120.40 104.20 2aiv s VAL 45 Ca 0.17 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 2aiv s VAL 45 Cb -0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 2aiv s VAL 45 CO 0.10 0.00 0.50 -1.81 -0.31 0.00 0.00 175.10 173.58 2aiv s ASP 46 N -1.43 6.31 -0.00 4.85 -0.00 -1.16 -3.94 116.67 121.30 2aiv s ASP 46 Ca 0.09 -0.04 0.14 0.00 -0.00 0.00 0.00 52.55 52.74 2aiv s ASP 46 Cb -0.01 -2.26 -0.16 0.00 -0.00 0.00 0.00 42.92 40.49 2aiv s ASP 46 CO -0.06 -0.46 0.55 0.18 -0.00 0.00 0.00 175.17 175.38 2aiv n LEU 47 N 5.71 0.57 -0.34 1.23 4.77 -1.20 -4.24 117.00 123.51 2aiv n LEU 47 Ca -0.05 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 55.46 2aiv n LEU 47 Cb 0.49 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 2aiv n LEU 47 CO 0.45 0.14 1.24 0.00 -1.33 0.00 0.00 177.39 177.89 2aiv h ALA 48 N 1.88 1.15 0.00 -1.18 0.00 -1.90 -3.27 119.26 115.93 2aiv h ALA 48 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2aiv h ALA 48 Cb 0.36 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2aiv h ALA 48 CO 0.00 0.57 -0.02 0.78 0.00 0.00 0.00 179.25 180.58 2aiv h GLY 49 N 1.23 0.00 -7.34 0.00 0.00 -1.97 -3.43 103.07 91.55 2aiv h GLY 49 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.23 2aiv h GLY 49 CO -0.07 0.00 1.09 -0.26 0.00 0.00 0.00 176.54 177.30 2aiv s ILE 50 N -1.66 3.46 0.00 2.60 -4.36 -1.23 -4.86 121.20 115.15 2aiv s ILE 50 Ca -0.03 -0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 2aiv s ILE 50 Cb -0.00 -4.13 0.00 0.00 1.25 0.00 0.00 42.46 39.58 2aiv s ILE 50 CO 0.10 -1.08 0.99 -0.81 0.24 0.00 0.00 174.94 174.38 2aiv n PRO 51 N 9.05 0.54 -0.35 0.37 -0.04 -1.26 -4.21 135.00 139.09 2aiv n PRO 51 Ca 0.28 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2aiv n PRO 51 Cb 0.50 -1.23 0.12 0.00 -0.04 0.00 0.00 33.50 32.84 2aiv n PRO 51 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aiv h LEU 52 N 3.16 1.12 -1.33 1.53 3.38 -1.86 -2.51 115.31 118.80 2aiv h LEU 52 Ca 0.00 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.20 2aiv h LEU 52 Cb 0.54 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2aiv h LEU 52 CO 0.00 0.85 0.68 0.00 0.09 0.00 0.00 178.44 180.06 2aiv h THR 53 N 1.30 0.46 -0.83 0.22 1.03 -1.70 0.33 112.91 113.72 2aiv h THR 53 Ca 0.34 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.61 2aiv h THR 53 Cb -0.08 0.07 -0.04 0.00 -1.07 0.00 0.00 68.15 67.03 2aiv h THR 53 CO -0.07 0.07 0.48 -1.28 -0.01 0.00 0.00 175.52 174.71 2aiv h SER 54 N 0.36 1.00 -0.80 0.00 0.87 -1.73 -2.03 113.55 111.22 2aiv h SER 54 Ca 0.63 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 61.08 2aiv h SER 54 Cb 1.63 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.31 2aiv h SER 54 CO -0.34 0.78 0.32 -0.07 -0.53 0.00 0.00 176.83 177.00 2aiv h LEU 55 N 1.15 1.10 0.00 2.23 3.38 -0.46 -3.47 115.31 119.23 2aiv h LEU 55 Ca 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2aiv h LEU 55 Cb -0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2aiv h LEU 55 CO -0.05 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2aiv n GLY 56 N -0.88 -2.02 3.97 0.83 0.00 -0.76 -5.15 105.19 101.17 2aiv n GLY 56 Ca 0.07 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.67 2aiv n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aiv s GLY 57 N 0.00 1.80 0.09 -0.02 0.00 -1.26 -4.69 107.32 103.24 2aiv s GLY 57 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 44.72 43.16 2aiv s GLY 57 CO 0.00 -1.00 1.73 -0.39 0.00 0.00 0.00 173.10 173.45 2aiv h VAL 58 N -0.08 1.01 0.00 1.40 -1.51 -1.86 -3.12 116.25 112.09 2aiv h VAL 58 Ca -0.42 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2aiv h VAL 58 Cb 1.30 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2aiv h VAL 58 CO 0.52 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 2aiv n ILE 59 N -5.07 0.00 -5.22 7.19 3.06 -1.26 -4.16 119.36 113.89 2aiv n ILE 59 Ca -0.07 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.86 2aiv n ILE 59 Cb 0.03 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.04 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2aiv s ILE 60 N 0.00 2.06 -0.09 9.51 1.01 -1.26 -4.87 121.20 127.56 2aiv s ILE 60 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2aiv s ILE 60 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2aiv s ILE 60 CO 0.00 0.56 -0.16 0.42 0.00 0.00 0.00 174.94 175.76 2aiv s THR 61 N 0.33 2.82 -0.19 2.92 -4.23 -1.22 -4.95 115.64 111.13 2aiv s THR 61 Ca -0.19 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2aiv s THR 61 Cb -0.18 -2.13 0.06 0.00 1.34 0.00 0.00 72.50 71.59 2aiv s THR 61 CO 0.09 0.56 0.04 0.12 -0.54 0.00 0.00 174.62 174.88 2aiv s PHE 62 N -0.07 0.93 0.39 3.99 5.36 -1.26 -2.41 117.98 124.91 2aiv s PHE 62 Ca -0.03 -0.77 -0.25 0.00 -0.96 0.00 0.00 56.93 54.92 2aiv s PHE 62 Cb -0.14 -0.98 -0.09 0.00 -0.34 0.00 0.00 43.02 41.47 2aiv s PHE 62 CO 0.04 -0.59 1.06 -2.00 -1.46 0.00 0.00 175.22 172.27 2aiv s GLU 63 N 1.89 4.20 -0.37 10.12 2.56 0.35 -4.89 118.70 132.56 2aiv s GLU 63 Ca -0.00 1.55 -0.04 0.00 0.00 0.00 0.00 54.97 56.48 2aiv s GLU 63 Cb -0.17 -2.61 -0.10 0.00 2.00 0.00 0.00 34.13 33.26 2aiv s GLU 63 CO -0.08 -0.12 2.06 -0.35 -0.56 0.00 0.00 175.26 176.21 2aiv n PRO 64 N 0.05 1.42 0.00 4.30 -0.04 -1.26 -1.85 135.00 137.61 2aiv n PRO 64 Ca 0.04 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2aiv n PRO 64 Cb 0.49 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2aiv n PRO 64 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2aiv n LYS 65 N 3.43 0.00 -4.03 0.54 2.85 -1.26 -4.80 118.16 114.88 2aiv n LYS 65 Ca 0.30 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.42 2aiv n LYS 65 Cb 0.31 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.55 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2aiv s THR 66 N 0.00 0.23 -0.14 0.58 2.01 -0.77 -4.89 115.64 112.66 2aiv s THR 66 Ca 0.00 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.89 2aiv s THR 66 Cb 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.31 2aiv s THR 66 CO 0.00 0.07 -0.19 0.00 -0.69 0.00 0.00 174.62 173.80 2aiv s ILE 68 N 0.71 2.10 0.12 0.00 -1.09 -1.01 -4.96 121.20 117.06 2aiv s ILE 68 Ca -0.09 -0.98 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2aiv s ILE 68 Cb -0.16 -1.91 -0.07 0.00 -1.58 0.00 0.00 42.46 38.74 2aiv s ILE 68 CO 0.01 0.50 1.43 0.40 -1.23 0.00 0.00 174.94 176.05 2aiv h ILE 69 N 5.99 1.28 -0.94 2.92 2.04 -1.95 -3.19 117.51 123.68 2aiv h ILE 69 Ca -0.44 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2aiv h ILE 69 Cb 1.13 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2aiv h ILE 69 CO 0.63 0.52 0.60 1.88 0.00 0.00 0.00 178.15 181.78 2aiv h TYR 70 N 0.63 1.20 -5.07 1.37 0.05 -1.93 -3.43 116.97 109.80 2aiv h TYR 70 Ca 0.04 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 2aiv h TYR 70 Cb 1.00 -0.40 0.07 0.00 1.01 0.00 0.00 36.73 38.41 2aiv h TYR 70 CO 0.07 0.77 -0.29 0.00 -1.05 0.00 0.00 178.16 177.66 2aiv n ALA 71 N -2.37 -2.30 -2.37 3.88 0.00 -1.21 -3.05 120.51 113.09 2aiv n ALA 71 Ca 0.11 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 2aiv n ALA 71 Cb 0.03 -2.78 -0.01 0.00 0.00 0.00 0.00 19.45 16.69 2aiv n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2aiv n ASN 72 N -2.18 -5.72 -4.56 0.00 5.15 -1.26 -4.90 115.26 101.79 2aiv n ASN 72 Ca -0.02 -0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 2aiv n ASN 72 Cb 0.54 -4.75 -0.04 0.00 -0.53 0.00 0.00 39.78 34.99 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2aiv s LEU 73 N -5.75 3.20 0.00 1.20 1.98 -1.17 -4.86 118.68 113.28 2aiv s LEU 73 Ca 0.00 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 2aiv s LEU 73 Cb 0.00 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.30 2aiv s LEU 73 CO 0.00 -2.65 0.81 -0.81 -1.89 0.00 0.00 176.35 171.81 2aiv n PRO 74 N 8.96 0.45 -2.06 0.98 -0.04 -1.26 -4.56 135.00 137.46 2aiv n PRO 74 Ca 0.34 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 2aiv n PRO 74 Cb 0.49 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 2aiv n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 75 N 1.59 -5.61 -4.56 3.54 5.03 -1.26 -4.89 115.26 109.10 2aiv n ASN 75 Ca 0.00 0.21 -0.34 0.00 0.87 0.00 0.00 54.58 55.32 2aiv n ASN 75 Cb 0.22 -4.80 -0.04 0.00 -1.02 0.00 0.00 39.78 34.15 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2aiv s ARG 76 N -4.49 2.73 -0.51 3.52 6.06 -1.26 -4.85 118.95 120.15 2aiv s ARG 76 Ca 0.00 -0.01 0.02 0.00 -2.50 0.00 0.00 55.73 53.24 2aiv s ARG 76 Cb 0.00 -4.76 0.50 0.00 0.06 0.00 0.00 34.95 30.75 2aiv s ARG 76 CO 0.00 -2.92 1.78 -0.35 -2.50 0.00 0.00 175.30 171.31 2aiv n PRO 77 N 9.03 2.69 -0.29 5.12 -0.04 -1.26 -4.64 135.00 145.62 2aiv n PRO 77 Ca 0.29 -3.41 -0.06 0.00 -0.04 0.00 0.00 63.50 60.28 2aiv n PRO 77 Cb 0.49 -2.21 0.07 0.00 -0.04 0.00 0.00 33.50 31.82 2aiv n PRO 77 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2aiv h LYS 78 N 1.74 1.18 -6.83 0.54 1.57 -1.95 -3.43 116.57 109.40 2aiv h LYS 78 Ca 0.52 -0.22 -0.51 0.00 -1.87 0.00 0.00 60.65 58.57 2aiv h LYS 78 Cb 1.41 -0.19 0.03 0.00 0.08 0.00 0.00 32.23 33.56 2aiv h LYS 78 CO 1.20 0.96 0.51 1.03 -0.57 0.00 0.00 179.45 182.58 2aiv s ARG 79 N -5.52 4.56 0.00 3.15 0.52 -1.26 -4.89 118.95 115.51 2aiv s ARG 79 Ca -0.12 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 2aiv s ARG 79 Cb 0.16 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2aiv s ARG 79 CO 0.84 0.11 0.33 0.41 0.02 0.00 0.00 175.30 177.01 2aiv n GLY 80 N 1.08 0.69 3.87 -3.53 0.00 -1.26 -4.74 105.19 101.29 2aiv n GLY 80 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2aiv n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aiv s GLU 81 N -1.13 3.42 -0.16 1.61 2.02 -1.26 -5.09 118.70 118.11 2aiv s GLU 81 Ca 0.00 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 2aiv s GLU 81 Cb 0.00 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2aiv s GLU 81 CO 0.00 0.78 0.04 0.20 0.02 0.00 0.00 175.26 176.29 2aiv s GLY 82 N -1.02 1.87 -0.27 -1.39 0.00 -1.26 -5.02 107.32 100.22 2aiv s GLY 82 Ca 0.15 -0.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 2aiv s GLY 82 CO 0.04 -0.08 0.22 -0.26 0.00 0.00 0.00 173.10 173.02 2aiv s ILE 83 N 0.13 5.29 -0.16 0.90 -4.36 -1.26 -4.84 121.20 116.91 2aiv s ILE 83 Ca 0.03 0.24 -0.11 0.00 -0.26 0.00 0.00 60.65 60.55 2aiv s ILE 83 Cb -0.13 -3.56 -0.05 0.00 1.25 0.00 0.00 42.46 39.98 2aiv s ILE 83 CO 0.01 0.24 0.20 0.20 0.24 0.00 0.00 174.94 175.84 2aiv s ASN 84 N 1.67 6.36 -0.44 4.36 0.01 -1.26 -4.99 114.94 120.65 2aiv s ASN 84 Ca 0.08 0.42 0.04 0.00 -0.71 0.00 0.00 52.86 52.70 2aiv s ASN 84 Cb -0.16 -2.13 0.56 0.00 0.41 0.00 0.00 41.25 39.94 2aiv s ASN 84 CO 0.10 0.21 1.76 0.52 -1.51 0.00 0.00 177.10 178.19 2aiv n VAL 85 N 3.08 3.07 -1.46 1.60 0.31 -1.26 -4.53 118.33 119.14 2aiv n VAL 85 Ca -0.15 -2.57 -0.40 0.00 -0.01 0.00 0.00 64.34 61.21 2aiv n VAL 85 Cb 0.53 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.80 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aiv n ARG 86 N -1.06 3.46 -3.96 5.55 1.74 -1.26 -3.79 116.66 117.34 2aiv n ARG 86 Ca 0.52 -2.36 -0.08 0.00 -0.77 0.00 0.00 57.85 55.16 2aiv n ARG 86 Cb 1.22 -2.95 -0.08 0.00 -1.02 0.00 0.00 32.46 29.62 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aiv s ALA 87 N 2.41 0.10 -0.13 7.54 0.00 -1.26 -2.23 121.76 128.19 2aiv s ALA 87 Ca 0.62 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2aiv s ALA 87 Cb 0.17 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2aiv s ALA 87 CO -0.07 -0.45 -0.18 0.50 0.00 0.00 0.00 175.76 175.57 2aiv s ARG 88 N -3.89 3.21 -0.15 0.00 3.52 -0.97 -3.91 118.95 116.76 2aiv s ARG 88 Ca 0.06 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2aiv s ARG 88 Cb 0.06 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 2aiv s ARG 88 CO -0.11 0.13 -0.06 0.42 -0.81 0.00 0.00 175.30 174.87 2aiv s ILE 89 N 0.51 3.64 -0.10 4.11 1.01 -1.16 -2.66 121.20 126.55 2aiv s ILE 89 Ca -0.12 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2aiv s ILE 89 Cb -0.16 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 2aiv s ILE 89 CO 0.05 0.50 -0.24 -0.89 0.00 0.00 0.00 174.94 174.36 2aiv s THR 90 N 0.36 2.09 0.07 2.92 2.01 -1.07 -3.17 115.64 118.86 2aiv s THR 90 Ca -0.06 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.93 2aiv s THR 90 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2aiv s THR 90 CO 0.04 0.56 -0.04 0.00 -0.69 0.00 0.00 174.62 174.49 2aiv s PHE 92 N -3.80 0.46 -1.43 0.00 -0.71 -1.25 -0.31 117.98 110.95 2aiv s PHE 92 Ca 0.10 -0.80 -0.07 0.00 -1.04 0.00 0.00 56.93 55.11 2aiv s PHE 92 Cb 0.07 0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 2aiv s PHE 92 CO -0.07 -0.92 0.93 -1.71 -1.34 0.00 0.00 175.22 172.11 2aiv n ASN 93 N -0.35 -6.25 -0.11 1.98 5.15 -1.26 -4.82 115.26 109.60 2aiv n ASN 93 Ca -0.02 -0.43 -0.14 0.00 -0.60 0.00 0.00 54.58 53.40 2aiv n ASN 93 Cb 0.63 -4.96 -0.03 0.00 -0.53 0.00 0.00 39.78 34.89 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aiv h TYR 95 N 0.75 -0.25 0.00 0.00 5.03 -1.90 -1.08 116.97 119.52 2aiv h TYR 95 Ca 0.05 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2aiv h TYR 95 Cb 1.02 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.53 2aiv h TYR 95 CO 0.07 -0.30 0.00 -2.30 -1.32 0.00 0.00 178.16 174.30 2aiv n PRO 96 N -5.44 0.19 -3.45 1.82 -0.02 -0.93 -4.26 135.00 122.91 2aiv n PRO 96 Ca 0.12 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 2aiv n PRO 96 Cb 0.44 -1.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.66 2aiv n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aiv s VAL 97 N -0.67 -0.26 -0.30 -1.45 1.01 -0.41 -3.08 120.40 115.24 2aiv s VAL 97 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2aiv s VAL 97 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2aiv s VAL 97 CO 0.00 -0.59 0.66 -0.62 0.00 0.00 0.00 175.10 174.55 2aiv s ASP 98 N 2.15 6.55 0.48 3.32 3.68 0.31 -4.85 116.67 128.31 2aiv s ASP 98 Ca 0.10 0.53 0.16 0.00 2.13 0.00 0.00 52.55 55.47 2aiv s ASP 98 Cb -0.15 -2.35 1.14 0.00 -1.45 0.00 0.00 42.92 40.11 2aiv s ASP 98 CO -0.31 -0.49 2.06 0.07 0.13 0.00 0.00 175.17 176.63 2aiv h LYS 99 N 8.12 0.00 0.40 4.34 2.10 -1.94 1.15 116.57 130.74 2aiv h LYS 99 Ca -0.26 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.37 2aiv h LYS 99 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2aiv h LYS 99 CO 0.81 0.11 -0.19 1.03 -2.00 0.00 0.00 179.45 179.21 2aiv h SER 100 N 0.00 -0.46 0.00 7.07 0.87 -1.98 -3.35 113.55 115.71 2aiv h SER 100 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2aiv h SER 100 Cb 0.19 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2aiv h SER 100 CO 0.01 -0.32 -0.10 0.35 -0.53 0.00 0.00 176.83 176.24 2aiv n THR 101 N -5.32 1.08 -3.15 2.23 -2.24 -1.20 -4.97 114.28 100.71 2aiv n THR 101 Ca -0.11 -1.25 -0.22 0.00 -2.27 0.00 0.00 64.05 60.20 2aiv n THR 101 Cb 0.23 0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 2aiv n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aiv n ARG 102 N -0.76 -5.61 -1.91 -0.78 1.74 0.39 -4.93 116.66 104.80 2aiv n ARG 102 Ca 0.07 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 2aiv n ARG 102 Cb 0.55 -5.75 -0.02 0.00 -1.02 0.00 0.00 32.46 26.22 2aiv n ARG 102 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2aiv s LYS 103 N -5.84 4.20 -0.80 5.56 1.02 -0.73 -4.59 119.74 118.57 2aiv s LYS 103 Ca 0.37 2.43 -0.01 0.00 0.02 0.00 0.00 55.97 58.78 2aiv s LYS 103 Cb -0.16 -3.05 0.20 0.00 -0.52 0.00 0.00 37.83 34.30 2aiv s LYS 103 CO 0.46 -0.47 0.66 -1.25 -0.92 0.00 0.00 175.35 173.83 2aiv s PRO 104 N -1.06 2.98 -0.54 -1.68 0.04 -1.25 0.11 135.00 133.61 2aiv s PRO 104 Ca 0.57 -3.12 -0.21 0.00 0.04 0.00 0.00 61.00 58.28 2aiv s PRO 104 Cb -0.44 -3.82 0.06 0.00 0.04 0.00 0.00 34.50 30.34 2aiv s PRO 104 CO 0.51 -1.25 0.75 0.42 0.04 0.00 0.00 177.00 177.47 2aiv s ILE 105 N -1.08 4.69 -1.12 0.56 1.01 -1.18 -4.93 121.20 119.15 2aiv s ILE 105 Ca 0.25 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2aiv s ILE 105 Cb -0.10 -4.42 0.28 0.00 0.01 0.00 0.00 42.46 38.23 2aiv s ILE 105 CO -0.11 -0.98 1.65 0.29 0.00 0.00 0.00 174.94 175.79 2aiv n LYS 106 N 6.67 4.46 -3.93 2.79 5.02 -1.26 -2.19 118.16 129.71 2aiv n LYS 106 Ca -0.04 -4.33 -0.10 0.00 -2.02 0.00 0.00 58.31 51.82 2aiv n LYS 106 Cb 0.46 -2.59 -0.06 0.00 -0.02 0.00 0.00 35.03 32.82 2aiv n LYS 106 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aiv s ASP 107 N -1.15 -0.04 -0.91 4.39 1.11 -1.26 -5.10 116.67 113.70 2aiv s ASP 107 Ca 0.35 -0.82 -0.02 0.00 0.18 0.00 0.00 52.55 52.24 2aiv s ASP 107 Cb 0.08 0.49 0.24 0.00 1.07 0.00 0.00 42.92 44.81 2aiv s ASP 107 CO 0.05 -0.97 0.93 -0.81 1.18 0.00 0.00 175.17 175.54 2aiv n PRO 108 N -0.28 3.01 -4.27 8.23 -0.04 -1.26 -4.88 135.00 135.51 2aiv n PRO 108 Ca -0.06 -4.52 -0.34 0.00 -0.04 0.00 0.00 63.50 58.54 2aiv n PRO 108 Cb 0.63 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 2aiv n PRO 108 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2aiv s ASN 109 N -0.65 3.77 0.00 3.54 0.01 -1.26 -4.98 114.94 115.37 2aiv s ASN 109 Ca 0.30 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2aiv s ASN 109 Cb -0.02 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2aiv s ASN 109 CO -0.07 0.04 0.60 1.41 -1.51 0.00 0.00 177.10 177.57 2aiv n HIS 110 N 4.36 0.00 -0.33 2.20 8.25 -1.26 -3.90 115.22 124.53 2aiv n HIS 110 Ca -0.19 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.30 2aiv n HIS 110 Cb 0.51 -0.03 0.21 0.00 1.12 0.00 0.00 29.99 31.80 2aiv n HIS 110 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2aiv h GLN 111 N 0.10 1.08 0.00 -0.41 4.15 -2.02 -3.16 115.11 114.85 2aiv h GLN 111 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2aiv h GLN 111 Cb 0.15 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2aiv h GLN 111 CO 0.00 0.72 -0.26 1.28 -1.93 0.00 0.00 178.83 178.64 2aiv n LEU 112 N -4.48 1.02 -0.03 -2.39 4.32 -1.25 -4.82 117.00 109.37 2aiv n LEU 112 Ca 0.14 -1.84 -0.13 0.00 -0.02 0.00 0.00 56.01 54.16 2aiv n LEU 112 Cb 0.17 -0.17 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 2aiv n LEU 112 CO 0.33 0.43 0.54 0.58 -1.22 0.00 0.00 177.39 178.06 2aiv h VAL 113 N 3.74 1.49 -0.67 4.08 2.07 -1.71 -2.75 116.25 122.51 2aiv h VAL 113 Ca 0.00 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 2aiv h VAL 113 Cb 1.19 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 2aiv h VAL 113 CO 0.00 0.39 0.10 0.11 0.02 0.00 0.00 177.57 178.19 2aiv h LYS 114 N -0.67 1.11 -0.85 1.57 1.57 -1.88 -2.92 116.57 114.50 2aiv h LYS 114 Ca -0.00 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2aiv h LYS 114 Cb 0.65 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 2aiv h LYS 114 CO 0.00 1.02 0.41 0.00 -0.57 0.00 0.00 179.45 180.31 2aiv h ARG 115 N 1.03 1.21 -0.74 3.15 3.08 -1.88 -1.65 114.38 118.59 2aiv h ARG 115 Ca 0.20 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2aiv h ARG 115 Cb 0.45 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2aiv h ARG 115 CO 0.01 0.93 0.49 1.25 -1.07 0.00 0.00 179.97 181.58 2aiv h HIS 116 N 1.20 0.93 -0.59 3.04 2.76 -1.30 -1.25 115.15 119.94 2aiv h HIS 116 Ca 0.29 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.38 2aiv h HIS 116 Cb 0.11 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2aiv h HIS 116 CO 0.01 0.59 -0.02 0.82 -1.30 0.00 0.00 177.93 178.03 2aiv h ILE 117 N 1.01 1.27 -0.83 6.26 1.08 -1.31 -2.78 117.51 122.19 2aiv h ILE 117 Ca 0.27 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 2aiv h ILE 117 Cb -0.12 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 2aiv h ILE 117 CO -0.06 0.43 0.54 -0.33 -0.69 0.00 0.00 178.15 178.04 2aiv h GLU 118 N 0.95 1.10 -0.86 2.37 5.08 -0.78 -1.97 114.58 120.47 2aiv h GLU 118 Ca 0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2aiv h GLU 118 Cb 0.59 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2aiv h GLU 118 CO 0.04 0.74 0.53 -0.09 -1.00 0.00 0.00 179.01 179.22 2aiv h ARG 119 N 1.13 1.17 -0.62 2.33 2.43 -1.07 -2.01 114.38 117.73 2aiv h ARG 119 Ca 0.30 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2aiv h ARG 119 Cb -0.12 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.16 2aiv h ARG 119 CO -0.06 0.81 0.15 -0.07 -1.51 0.00 0.00 179.97 179.29 2aiv h LEU 120 N 1.19 0.92 -0.88 3.80 3.38 -1.11 -2.49 115.31 120.12 2aiv h LEU 120 Ca 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2aiv h LEU 120 Cb -0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2aiv h LEU 120 CO -0.06 0.89 0.55 0.11 0.09 0.00 0.00 178.44 180.02 2aiv h LYS 121 N 0.93 1.18 -0.85 1.13 1.57 -0.73 -2.19 116.57 117.61 2aiv h LYS 121 Ca 0.20 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2aiv h LYS 121 Cb 0.33 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2aiv h LYS 121 CO -0.00 0.82 0.54 0.87 -0.57 0.00 0.00 179.45 181.10 2aiv h LYS 122 N 1.20 1.14 -5.90 3.15 1.79 -1.06 -3.39 116.57 113.51 2aiv h LYS 122 Ca 0.32 -0.09 -0.49 0.00 -2.18 0.00 0.00 60.65 58.21 2aiv h LYS 122 Cb -0.08 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.30 2aiv h LYS 122 CO -0.06 0.78 1.41 1.21 -1.08 0.00 0.00 179.45 181.70 2aiv s ASN 123 N -6.03 5.09 -0.25 0.86 3.84 -0.83 -4.85 114.94 112.78 2aiv s ASN 123 Ca -0.13 0.48 0.01 0.00 0.21 0.00 0.00 52.86 53.43 2aiv s ASN 123 Cb 0.16 -2.52 0.29 0.00 -0.55 0.00 0.00 41.25 38.62 2aiv s ASN 123 CO 0.80 -2.49 1.62 -0.81 -2.79 0.00 0.00 177.10 173.43 2aiv n PRO 124 N 9.15 1.66 -0.02 0.43 -0.04 -1.26 -3.75 135.00 141.17 2aiv n PRO 124 Ca 0.24 -1.47 0.08 0.00 -0.04 0.00 0.00 63.50 62.30 2aiv n PRO 124 Cb 0.53 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 2aiv n PRO 124 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aiv n ASN 125 N -0.08 0.24 -4.22 3.54 2.85 -1.26 -4.96 115.26 111.37 2aiv n ASN 125 Ca 0.29 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.55 2aiv n ASN 125 Cb 0.91 1.83 -0.12 0.00 1.24 0.00 0.00 39.78 43.63 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2aiv s SER 126 N -4.52 2.02 -0.23 1.20 0.01 -1.25 -4.95 113.70 105.99 2aiv s SER 126 Ca -0.08 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.38 2aiv s SER 126 Cb 0.12 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 2aiv s SER 126 CO 0.86 -0.03 0.35 -0.54 0.41 0.00 0.00 173.24 174.29 2aiv s LYS 127 N -1.84 4.11 -0.29 12.44 1.02 -1.16 -5.00 119.74 129.02 2aiv s LYS 127 Ca 0.02 0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.82 2aiv s LYS 127 Cb -0.10 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2aiv s LYS 127 CO 0.03 -0.09 0.90 0.12 -0.92 0.00 0.00 175.35 175.39 2aiv s PHE 128 N 1.48 3.22 0.00 3.18 5.36 -1.26 -1.98 117.98 127.98 2aiv s PHE 128 Ca 0.16 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 2aiv s PHE 128 Cb -0.15 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 2aiv s PHE 128 CO 0.08 -0.58 0.00 -1.91 -1.46 0.00 0.00 175.22 171.35 2aiv n GLU 129 N 6.36 0.00 -3.88 10.12 2.13 -1.11 -4.97 120.64 129.29 2aiv n GLU 129 Ca 0.07 0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 2aiv n GLU 129 Cb 0.47 -0.19 -0.14 0.00 0.27 0.00 0.00 31.44 31.85 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2aiv s SER 130 N -1.08 0.02 -0.06 4.31 0.01 -1.14 -5.07 113.70 110.68 2aiv s SER 130 Ca 0.00 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.28 2aiv s SER 130 Cb 0.00 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.24 2aiv s SER 130 CO 0.00 -0.00 -0.12 -0.47 0.41 0.00 0.00 173.24 173.06 2aiv s TYR 131 N 0.01 1.40 -0.26 2.43 5.04 -1.26 -2.73 117.35 121.99 2aiv s TYR 131 Ca -0.00 -0.50 -0.05 0.00 -2.44 0.00 0.00 57.07 54.07 2aiv s TYR 131 Cb -0.00 -1.03 -0.00 0.00 0.35 0.00 0.00 41.96 41.27 2aiv s TYR 131 CO -0.00 -0.26 0.03 -0.51 -1.34 0.00 0.00 175.55 173.47 2aiv s ASP 132 N 0.62 4.78 0.14 4.32 1.01 -0.92 -4.98 116.67 121.65 2aiv s ASP 132 Ca -0.13 -0.50 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 2aiv s ASP 132 Cb -0.15 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 2aiv s ASP 132 CO 0.03 -0.09 1.48 0.00 0.21 0.00 0.00 175.17 176.80 2aiv h ALA 133 N 8.18 0.58 -0.86 5.23 0.00 -1.93 0.86 119.26 131.31 2aiv h ALA 133 Ca -0.37 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2aiv h ALA 133 Cb 1.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2aiv h ALA 133 CO 0.59 0.68 0.55 -0.44 0.00 0.00 0.00 179.25 180.64 2aiv h ASP 134 N 0.75 1.00 0.05 0.00 3.45 -1.98 -3.07 116.42 116.62 2aiv h ASP 134 Ca 0.06 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2aiv h ASP 134 Cb 0.99 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 2aiv h ASP 134 CO 0.10 0.74 -1.61 -1.20 -1.57 0.00 0.00 179.24 175.70 2aiv n SER 135 N -4.46 0.37 0.00 6.45 7.64 -1.21 -4.97 113.62 117.43 2aiv n SER 135 Ca 0.09 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2aiv n SER 135 Cb 0.03 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aiv n GLY 136 N 1.34 0.42 3.71 0.23 0.00 0.30 -4.56 105.19 106.63 2aiv n GLY 136 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aiv s THR 137 N -2.10 3.83 -0.19 2.61 2.01 -1.14 -4.20 115.64 116.46 2aiv s THR 137 Ca 0.00 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2aiv s THR 137 Cb 0.00 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.68 2aiv s THR 137 CO 0.00 0.10 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.39 2aiv s TYR 138 N 1.07 2.83 -0.16 4.92 5.04 0.58 -2.17 117.35 129.46 2aiv s TYR 138 Ca 0.60 -1.57 0.02 0.00 -2.44 0.00 0.00 57.07 53.68 2aiv s TYR 138 Cb -0.31 -1.95 0.02 0.00 0.35 0.00 0.00 41.96 40.06 2aiv s TYR 138 CO 0.29 -0.77 -0.20 0.14 -1.34 0.00 0.00 175.55 173.67 2aiv s VAL 139 N 1.31 1.99 0.02 3.14 -7.23 -1.10 -2.12 120.40 116.40 2aiv s VAL 139 Ca 0.04 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2aiv s VAL 139 Cb -0.14 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 2aiv s VAL 139 CO -0.11 0.53 -0.03 0.72 -0.31 0.00 0.00 175.10 175.90 2aiv s PHE 140 N 1.09 0.25 -0.12 2.82 -0.71 -1.19 -2.75 117.98 117.38 2aiv s PHE 140 Ca -0.01 -0.51 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 2aiv s PHE 140 Cb -0.14 -0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.49 2aiv s PHE 140 CO -0.08 -0.18 -0.23 0.42 -1.34 0.00 0.00 175.22 173.81 2aiv s ILE 141 N -1.39 2.04 -0.70 -4.49 1.01 -0.84 -3.00 121.20 113.84 2aiv s ILE 141 Ca -0.15 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.56 2aiv s ILE 141 Cb -0.10 -1.78 0.18 0.00 0.01 0.00 0.00 42.46 40.78 2aiv s ILE 141 CO -0.01 0.55 0.54 1.33 0.00 0.00 0.00 174.94 177.35 2aiv n VAL 142 N 3.76 1.75 -3.25 2.92 0.24 -1.25 -2.97 118.33 119.52 2aiv n VAL 142 Ca -0.19 -4.92 -0.43 0.00 -2.04 0.00 0.00 64.34 56.76 2aiv n VAL 142 Cb 0.52 -2.17 -0.08 0.00 -1.47 0.00 0.00 33.84 30.64 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2aiv s ASN 143 N -1.63 6.24 0.19 -1.34 3.84 -1.25 -4.50 114.94 116.49 2aiv s ASN 143 Ca 0.27 -0.53 -0.09 0.00 0.21 0.00 0.00 52.86 52.72 2aiv s ASN 143 Cb -0.01 -2.26 0.09 0.00 -0.55 0.00 0.00 41.25 38.52 2aiv s ASN 143 CO -0.15 -0.64 1.68 0.45 -2.79 0.00 0.00 177.10 175.65 2aiv h HIS 144 N 8.76 1.18 -0.96 0.43 3.86 -1.97 -2.91 115.15 123.55 2aiv h HIS 144 Ca -0.26 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2aiv h HIS 144 Cb 1.11 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 2aiv h HIS 144 CO 0.66 1.00 0.58 0.00 0.86 0.00 0.00 177.93 181.03 2aiv h ALA 145 N 1.04 1.22 -2.88 2.45 0.00 -1.94 -3.40 119.26 115.75 2aiv h ALA 145 Ca 0.20 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.37 2aiv h ALA 145 Cb 0.47 -0.39 -0.16 0.00 0.00 0.00 0.00 17.79 17.71 2aiv h ALA 145 CO 0.02 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.48 2aiv s ALA 146 N -5.97 3.54 -0.10 0.00 0.00 -1.10 -5.07 121.76 113.06 2aiv s ALA 146 Ca -0.13 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2aiv s ALA 146 Cb 0.17 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2aiv s ALA 146 CO 0.83 -0.54 -0.24 -2.00 0.00 0.00 0.00 175.76 173.80 2aiv s GLU 147 N 1.76 3.02 0.36 0.00 2.12 -1.26 -4.60 118.70 120.10 2aiv s GLU 147 Ca 0.09 -0.88 -0.28 0.00 0.36 0.00 0.00 54.97 54.25 2aiv s GLU 147 Cb -0.16 -2.29 -0.11 0.00 0.26 0.00 0.00 34.13 31.83 2aiv s GLU 147 CO 0.10 0.19 1.45 -0.65 -0.54 0.00 0.00 175.26 175.81 2aiv s GLN 148 N 0.32 4.17 0.00 4.30 -0.21 -1.26 -5.22 119.66 121.75 2aiv s GLN 148 Ca -0.18 2.49 0.05 0.00 0.02 0.00 0.00 55.36 57.74 2aiv s GLN 148 Cb -0.18 -2.99 0.04 0.00 1.00 0.00 0.00 33.01 30.88 2aiv s GLN 148 CO 0.09 -0.46 0.66 0.25 -2.12 0.00 0.00 175.29 173.71