#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 0.00 -0.48 1.61 -0.04 -1.26 -4.53 135.00 130.31 2aiv n PRO 2 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2aiv n PRO 2 Cb 0.00 -0.62 0.27 0.00 -0.04 0.00 0.00 33.50 33.11 2aiv n PRO 2 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aiv n ASN 3 N -0.33 4.02 -0.11 3.54 6.94 -1.26 -4.58 115.26 123.48 2aiv n ASN 3 Ca 0.00 -2.97 -0.12 0.00 -0.02 0.00 0.00 54.58 51.46 2aiv n ASN 3 Cb 0.00 -0.55 -0.01 0.00 -2.36 0.00 0.00 39.78 36.87 2aiv n ASN 3 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2aiv h GLU 4 N 2.01 0.91 -0.93 -3.83 5.08 -2.04 -3.18 114.58 112.61 2aiv h GLU 4 Ca 0.00 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2aiv h GLU 4 Cb 1.47 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 2aiv h GLU 4 CO 0.24 1.12 0.57 -2.95 -1.00 0.00 0.00 179.01 176.99 2aiv h ASN 5 N 0.75 1.10 -3.70 1.42 -1.07 -1.84 -3.42 115.58 108.82 2aiv h ASN 5 Ca 0.06 -0.06 -0.68 0.00 0.07 0.00 0.00 56.30 55.69 2aiv h ASN 5 Cb 0.96 -0.28 -0.19 0.00 -2.07 0.00 0.00 38.32 36.74 2aiv h ASN 5 CO 0.09 0.84 -0.71 -0.72 0.07 0.00 0.00 177.43 177.00 2aiv s TYR 6 N -5.95 2.89 0.12 4.14 1.13 -1.20 -4.03 117.35 114.44 2aiv s TYR 6 Ca -0.13 -0.02 0.06 0.00 -1.41 0.00 0.00 57.07 55.57 2aiv s TYR 6 Cb 0.17 -1.66 -0.04 0.00 -1.10 0.00 0.00 41.96 39.33 2aiv s TYR 6 CO 0.82 0.33 -0.14 1.52 -2.51 0.00 0.00 175.55 175.57 2aiv s TYR 7 N -0.86 1.37 0.02 -3.49 1.13 -1.14 -4.86 117.35 109.52 2aiv s TYR 7 Ca 0.14 -0.56 0.07 0.00 -1.41 0.00 0.00 57.07 55.31 2aiv s TYR 7 Cb -0.11 -0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 40.01 2aiv s TYR 7 CO 0.03 0.13 -0.20 0.42 -2.51 0.00 0.00 175.55 173.42 2aiv s ILE 8 N -2.12 1.59 -1.04 -3.49 -1.09 -1.26 -3.16 121.20 110.64 2aiv s ILE 8 Ca 0.08 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.42 2aiv s ILE 8 Cb -0.05 -1.36 0.31 0.00 -1.58 0.00 0.00 42.46 39.78 2aiv s ILE 8 CO 0.03 0.28 1.55 -1.20 -1.23 0.00 0.00 174.94 174.37 2aiv n SER 9 N 2.13 6.59 -4.78 3.58 7.64 0.34 -1.60 113.62 127.51 2aiv n SER 9 Ca -0.16 -3.51 -0.31 0.00 1.01 0.00 0.00 58.87 55.89 2aiv n SER 9 Cb 0.53 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.48 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 0.85 0.72 -0.84 1.43 -0.04 -1.26 -3.12 135.00 132.74 2aiv n PRO 10 Ca 0.33 -3.71 -0.35 0.00 -0.04 0.00 0.00 63.50 59.73 2aiv n PRO 10 Cb 0.31 0.83 0.10 0.00 -0.04 0.00 0.00 33.50 34.70 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 -1.46 -3.11 -0.33 3.54 3.41 -0.63 -4.61 113.62 110.44 2aiv n SER 11 Ca -0.16 0.06 -0.04 0.00 -0.26 0.00 0.00 58.87 58.47 2aiv n SER 11 Cb 0.65 -0.86 0.09 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.51 1.12 -0.59 1.04 3.38 -2.01 -2.26 115.31 114.49 2aiv h LEU 12 Ca -0.46 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 2aiv h LEU 12 Cb 1.34 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2aiv h LEU 12 CO 0.30 0.90 -0.02 0.44 0.09 0.00 0.00 178.44 180.15 2aiv h ASP 13 N 1.25 1.04 -0.94 -0.43 3.45 -2.00 -2.93 116.42 115.86 2aiv h ASP 13 Ca 0.31 -0.32 0.03 0.00 0.43 0.00 0.00 57.03 57.49 2aiv h ASP 13 Cb 0.03 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.47 2aiv h ASP 13 CO -0.05 1.10 0.62 0.74 -1.57 0.00 0.00 179.24 180.08 2aiv h THR 14 N 0.95 1.17 -0.19 0.35 2.02 -1.73 -1.20 112.91 114.28 2aiv h THR 14 Ca 0.16 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2aiv h THR 14 Cb 0.59 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2aiv h THR 14 CO 0.04 0.22 0.12 0.25 0.37 0.00 0.00 175.52 176.52 2aiv h LEU 15 N 1.20 0.23 -0.97 2.58 5.85 -1.26 -2.67 115.31 120.27 2aiv h LEU 15 Ca 0.37 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2aiv h LEU 15 Cb -0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2aiv h LEU 15 CO -0.11 0.19 0.60 0.28 -0.34 0.00 0.00 178.44 179.05 2aiv h SER 16 N 0.25 1.15 0.03 1.25 0.02 -1.31 -1.04 113.55 113.89 2aiv h SER 16 Ca 0.07 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2aiv h SER 16 Cb -0.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2aiv h SER 16 CO -0.01 0.87 0.00 -1.20 -1.14 0.00 0.00 176.83 175.34 2aiv n SER 17 N -4.36 0.00 -4.67 3.07 7.64 -0.49 -4.77 113.62 110.04 2aiv n SER 17 Ca 0.11 -0.14 -0.31 0.00 1.01 0.00 0.00 58.87 59.54 2aiv n SER 17 Cb 0.05 -0.06 0.17 0.00 -1.01 0.00 0.00 64.21 63.36 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aiv s TYR 18 N -2.11 1.61 0.99 1.43 1.51 -0.40 -5.01 117.35 115.37 2aiv s TYR 18 Ca 0.10 1.80 -0.15 0.00 -1.01 0.00 0.00 57.07 57.80 2aiv s TYR 18 Cb 0.05 -3.35 0.19 0.00 -0.11 0.00 0.00 41.96 38.74 2aiv s TYR 18 CO 0.09 -2.82 1.21 0.45 -1.11 0.00 0.00 175.55 173.36 2aiv s SER 19 N -2.67 2.86 0.14 2.29 0.15 -1.26 -4.66 113.70 110.55 2aiv s SER 19 Ca 0.67 0.60 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 2aiv s SER 19 Cb -0.23 -0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2aiv s SER 19 CO 0.58 -2.92 1.80 -0.07 1.20 0.00 0.00 173.24 173.83 2aiv h LEU 20 N -1.76 0.36 -0.34 3.45 3.38 -1.97 0.15 115.31 118.59 2aiv h LEU 20 Ca -0.46 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 2aiv h LEU 20 Cb 1.29 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2aiv h LEU 20 CO 0.47 0.26 -0.45 0.25 0.09 0.00 0.00 178.44 179.06 2aiv h LEU 21 N 0.44 0.98 -0.53 1.67 6.46 -2.00 -3.02 115.31 119.31 2aiv h LEU 21 Ca 0.13 -0.50 -0.03 0.00 -0.12 0.00 0.00 57.88 57.36 2aiv h LEU 21 Cb -0.03 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 2aiv h LEU 21 CO -0.04 1.28 0.22 -0.61 -0.62 0.00 0.00 178.44 178.67 2aiv h GLN 22 N 0.70 0.78 -0.90 1.25 4.15 -1.79 -1.63 115.11 117.67 2aiv h GLN 22 Ca 0.04 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2aiv h GLN 22 Cb 1.05 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 2aiv h GLN 22 CO 0.11 0.68 0.56 -0.07 -1.93 0.00 0.00 178.83 178.18 2aiv h LEU 23 N 0.71 1.07 -0.69 -2.39 3.38 -0.73 -2.41 115.31 114.24 2aiv h LEU 23 Ca 0.18 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2aiv h LEU 23 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2aiv h LEU 23 CO -0.02 0.81 0.10 0.03 0.09 0.00 0.00 178.44 179.45 2aiv h ARG 24 N 1.24 1.11 -3.98 1.13 3.08 -1.37 -3.22 114.38 112.37 2aiv h ARG 24 Ca 0.33 -0.30 -0.75 0.00 0.07 0.00 0.00 59.98 59.32 2aiv h ARG 24 Cb -0.08 -0.13 -0.27 0.00 0.08 0.00 0.00 29.97 29.57 2aiv h ARG 24 CO -0.06 1.01 -0.16 0.21 -1.07 0.00 0.00 179.97 179.90 2aiv s LYS 25 N -5.19 3.04 -0.82 0.04 2.20 -0.64 -2.18 119.74 116.19 2aiv s LYS 25 Ca -0.12 -2.11 -0.25 0.00 -0.36 0.00 0.00 55.97 53.13 2aiv s LYS 25 Cb 0.14 -4.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 2aiv s LYS 25 CO 0.85 -1.26 1.85 0.08 -0.36 0.00 0.00 175.35 176.51 2aiv s VAL 26 N 0.80 3.47 0.00 4.02 1.01 -1.23 -4.75 120.40 123.72 2aiv s VAL 26 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2aiv s VAL 26 Cb -0.21 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2aiv s VAL 26 CO -0.03 -1.05 0.00 -0.81 0.00 0.00 0.00 175.10 173.21 2aiv n PRO 27 N 8.98 1.66 -2.88 2.72 -0.04 -1.26 -3.28 135.00 140.89 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 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.77 -0.11 0.54 3.76 -1.26 -4.59 115.29 116.40 2aiv s HIS 28 Ca 0.00 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2aiv s HIS 28 Cb 0.00 -4.10 -0.04 0.00 1.11 0.00 0.00 32.58 29.55 2aiv s HIS 28 CO 0.00 -1.44 0.08 -0.51 -0.85 0.00 0.00 174.74 172.02 2aiv s LEU 29 N 3.84 4.04 -0.11 0.89 1.02 -1.06 -4.87 118.68 122.43 2aiv s LEU 29 Ca 0.25 0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.76 2aiv s LEU 29 Cb -0.15 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.10 2aiv s LEU 29 CO 0.14 0.39 -0.23 -0.69 0.02 0.00 0.00 176.35 175.99 2aiv s VAL 30 N -0.95 2.05 -0.18 -1.59 1.01 -1.18 -2.08 120.40 117.48 2aiv s VAL 30 Ca 0.14 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2aiv s VAL 30 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2aiv s VAL 30 CO 0.03 0.55 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 2aiv s VAL 31 N 0.51 2.10 -0.02 2.92 1.01 0.10 -0.51 120.40 126.52 2aiv s VAL 31 Ca -0.15 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 2aiv s VAL 31 Cb -0.17 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2aiv s VAL 31 CO 0.05 0.54 0.03 -0.83 0.00 0.00 0.00 175.10 174.88 2aiv s GLY 32 N 1.26 0.08 -0.10 4.51 0.00 -1.19 0.22 107.32 112.11 2aiv s GLY 32 Ca 0.04 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.06 2aiv s GLY 32 CO -0.12 0.57 -0.24 0.30 0.00 0.00 0.00 173.10 173.61 2aiv s HIS 33 N 0.88 2.53 0.23 1.90 3.76 0.14 -2.90 115.29 121.83 2aiv s HIS 33 Ca -0.07 -1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 53.75 2aiv s HIS 33 Cb -0.11 -1.69 0.22 0.00 1.11 0.00 0.00 32.58 32.12 2aiv s HIS 33 CO -0.02 -0.40 1.90 0.87 -0.85 0.00 0.00 174.74 176.24 2aiv h LYS 34 N 6.65 1.21 -0.33 1.40 1.57 -1.84 0.53 116.57 125.77 2aiv h LYS 34 Ca -0.20 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 2aiv h LYS 34 Cb 1.23 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2aiv h LYS 34 CO 0.47 0.82 -0.46 0.66 -0.57 0.00 0.00 179.45 180.37 2aiv h SER 35 N 1.24 0.97 0.00 0.86 4.64 -1.95 -3.41 113.55 115.91 2aiv h SER 35 Ca 0.33 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2aiv h SER 35 Cb -0.12 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.70 2aiv h SER 35 CO -0.07 1.29 0.00 -1.22 -0.87 0.00 0.00 176.83 175.96 2aiv n TYR 36 N -4.05 0.00 0.00 4.77 4.02 -1.01 -5.04 117.16 115.85 2aiv n TYR 36 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2aiv n TYR 36 Cb 0.58 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 2aiv n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aiv n GLY 37 N 2.40 -0.43 3.60 2.72 0.00 0.18 -3.97 105.19 109.69 2aiv n GLY 37 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 2aiv n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aiv s LYS 38 N -2.00 3.96 -0.01 1.61 2.20 -1.14 0.26 119.74 124.63 2aiv s LYS 38 Ca 0.00 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 2aiv s LYS 38 Cb 0.00 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2aiv s LYS 38 CO 0.00 -0.16 -0.13 0.96 -0.36 0.00 0.00 175.35 175.66 2aiv s ILE 39 N 1.69 1.02 -0.04 5.43 -4.36 0.13 -2.71 121.20 122.36 2aiv s ILE 39 Ca 0.07 -0.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 2aiv s ILE 39 Cb -0.16 -0.85 0.02 0.00 1.25 0.00 0.00 42.46 42.72 2aiv s ILE 39 CO 0.10 0.28 -0.04 -0.70 0.24 0.00 0.00 174.94 174.83 2aiv s GLU 40 N -0.32 0.73 -0.15 0.37 2.12 -1.09 0.03 118.70 120.39 2aiv s GLU 40 Ca 0.05 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.32 2aiv s GLU 40 Cb -0.05 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.59 2aiv s GLU 40 CO -0.00 -0.08 -0.22 -0.59 -0.54 0.00 0.00 175.26 173.83 2aiv s PHE 41 N 0.91 2.70 -2.07 5.30 -0.12 -0.88 -2.54 117.98 121.27 2aiv s PHE 41 Ca -0.11 -1.42 0.23 0.00 -0.05 0.00 0.00 56.93 55.58 2aiv s PHE 41 Cb -0.14 -1.84 0.63 0.00 -0.63 0.00 0.00 43.02 41.03 2aiv s PHE 41 CO -0.00 -0.66 1.53 1.28 -0.05 0.00 0.00 175.22 177.32 2aiv n LEU 42 N 4.20 3.91 -4.79 -1.99 4.32 -1.26 -2.56 117.00 118.84 2aiv n LEU 42 Ca -0.20 -1.92 -0.39 0.00 -0.02 0.00 0.00 56.01 53.48 2aiv n LEU 42 Cb 0.51 -0.46 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 2aiv n LEU 42 CO 0.27 0.96 0.45 -0.70 -1.22 0.00 0.00 177.39 177.15 2aiv s GLU 43 N -1.07 4.48 0.53 3.23 2.56 -1.25 -4.66 118.70 122.52 2aiv s GLU 43 Ca 0.48 1.07 0.03 0.00 0.00 0.00 0.00 54.97 56.56 2aiv s GLU 43 Cb 0.25 -3.19 0.02 0.00 2.00 0.00 0.00 34.13 33.21 2aiv s GLU 43 CO 0.34 0.55 0.19 -1.25 -0.56 0.00 0.00 175.26 174.52 2aiv s PRO 44 N -1.29 2.23 0.00 4.30 0.04 -1.21 -4.82 135.00 134.26 2aiv s PRO 44 Ca 0.36 -2.25 0.00 0.00 0.04 0.00 0.00 61.00 59.16 2aiv s PRO 44 Cb -0.22 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2aiv s PRO 44 CO 0.25 -0.50 0.00 1.55 0.04 0.00 0.00 177.00 178.33 2aiv n VAL 45 N -1.51 0.00 -2.93 -0.36 3.14 -1.25 -4.19 118.33 111.24 2aiv n VAL 45 Ca -0.12 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 2aiv n VAL 45 Cb 0.66 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.39 2aiv n VAL 45 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2aiv s ASP 46 N 0.00 6.67 -0.05 6.55 -0.00 -0.93 -3.58 116.67 125.34 2aiv s ASP 46 Ca 0.00 0.67 0.11 0.00 -0.00 0.00 0.00 52.55 53.33 2aiv s ASP 46 Cb 0.00 -2.42 -0.16 0.00 -0.00 0.00 0.00 42.92 40.34 2aiv s ASP 46 CO 0.00 -0.64 0.18 0.18 -0.00 0.00 0.00 175.17 174.89 2aiv n LEU 47 N 6.26 0.00 0.00 1.23 4.77 -1.22 -4.85 117.00 123.19 2aiv n LEU 47 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2aiv n LEU 47 Cb 0.48 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2aiv n LEU 47 CO 0.51 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.66 2aiv n ALA 48 N -2.07 0.00 -0.00 -1.18 0.00 -1.26 -0.99 120.51 115.01 2aiv n ALA 48 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2aiv n ALA 48 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 2aiv n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aiv h GLY 49 N 0.00 0.00 -5.44 0.00 0.00 -1.97 -3.48 103.07 92.18 2aiv h GLY 49 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2aiv h GLY 49 CO 0.00 0.00 -0.75 1.39 0.00 0.00 0.00 176.54 177.18 2aiv n ILE 50 N -3.12 -9.34 -1.35 2.60 -0.00 -0.16 -4.93 119.36 103.05 2aiv n ILE 50 Ca -0.13 -1.22 -0.24 0.00 -0.00 0.00 0.00 62.75 61.17 2aiv n ILE 50 Cb 1.02 -6.59 0.14 0.00 -0.00 0.00 0.00 39.64 34.21 2aiv n ILE 50 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2aiv n PRO 51 N -3.05 2.40 -0.18 0.38 -0.04 -1.26 -4.60 135.00 128.65 2aiv n PRO 51 Ca -0.06 -3.20 -0.09 0.00 -0.04 0.00 0.00 63.50 60.11 2aiv n PRO 51 Cb 0.61 -2.16 0.05 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.38 0.98 -1.82 1.53 3.38 -1.92 -2.90 115.31 115.94 2aiv h LEU 52 Ca 0.54 -0.30 0.28 0.00 0.09 0.00 0.00 57.88 58.49 2aiv h LEU 52 Cb 1.96 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 2aiv h LEU 52 CO 1.11 1.07 0.70 0.71 0.09 0.00 0.00 178.44 182.12 2aiv h THR 53 N 0.89 0.52 0.00 0.22 1.35 -1.81 0.73 112.91 114.81 2aiv h THR 53 Ca 0.15 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.88 2aiv h THR 53 Cb 0.61 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 2aiv h THR 53 CO 0.04 0.02 -0.41 0.77 -0.25 0.00 0.00 175.52 175.69 2aiv h SER 54 N 0.12 0.00 -0.92 5.36 4.64 -1.80 0.88 113.55 121.83 2aiv h SER 54 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2aiv h SER 54 Cb 1.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 2aiv h SER 54 CO -0.08 0.41 0.58 -0.07 -0.87 0.00 0.00 176.83 176.80 2aiv h LEU 55 N 0.00 1.09 0.00 5.97 3.38 0.36 -3.43 115.31 122.69 2aiv h LEU 55 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aiv h LEU 55 Cb 0.74 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2aiv h LEU 55 CO 0.05 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.01 2aiv n GLY 56 N -1.28 0.09 0.00 0.83 0.00 -1.07 -5.08 105.19 98.68 2aiv n GLY 56 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2aiv n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aiv n GLY 57 N 2.84 0.18 3.10 -0.02 0.00 0.28 -5.05 105.19 106.53 2aiv n GLY 57 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2aiv n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aiv s VAL 58 N -0.98 1.52 -0.85 1.61 1.01 -1.25 -4.74 120.40 116.72 2aiv s VAL 58 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2aiv s VAL 58 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2aiv s VAL 58 CO 0.00 0.44 0.69 0.00 0.00 0.00 0.00 175.10 176.23 2aiv n ILE 59 N 3.71 0.95 -3.87 2.22 0.00 -1.26 -4.39 119.36 116.71 2aiv n ILE 59 Ca -0.21 0.36 -0.12 0.00 0.00 0.00 0.00 62.75 62.78 2aiv n ILE 59 Cb 0.52 -1.36 -0.14 0.00 0.00 0.00 0.00 39.64 38.66 2aiv n ILE 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2aiv s ILE 60 N -2.38 0.01 -0.01 9.51 -4.36 -1.26 -4.76 121.20 117.95 2aiv s ILE 60 Ca 0.00 -0.02 0.04 0.00 -0.26 0.00 0.00 60.65 60.41 2aiv s ILE 60 Cb 0.00 -0.02 -0.01 0.00 1.25 0.00 0.00 42.46 43.68 2aiv s ILE 60 CO 0.00 -0.01 -0.13 0.28 0.24 0.00 0.00 174.94 175.32 2aiv s THR 61 N -0.03 1.05 -0.23 8.37 -1.32 -1.22 -5.04 115.64 117.22 2aiv s THR 61 Ca -0.00 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2aiv s THR 61 Cb -0.00 -0.87 0.06 0.00 -1.51 0.00 0.00 72.50 70.18 2aiv s THR 61 CO -0.00 0.29 -0.01 0.12 -2.21 0.00 0.00 174.62 172.81 2aiv s PHE 62 N -0.32 1.88 0.20 9.09 2.19 -1.26 -2.83 117.98 126.92 2aiv s PHE 62 Ca 0.05 -1.46 -0.30 0.00 0.33 0.00 0.00 56.93 55.55 2aiv s PHE 62 Cb -0.05 -1.42 -0.08 0.00 -1.31 0.00 0.00 43.02 40.16 2aiv s PHE 62 CO -0.00 -0.73 1.00 -1.21 1.83 0.00 0.00 175.22 176.11 2aiv s GLU 63 N 1.57 4.72 0.00 10.12 0.41 0.21 -4.89 118.70 130.84 2aiv s GLU 63 Ca -0.03 1.57 -0.01 0.00 -0.41 0.00 0.00 54.97 56.10 2aiv s GLU 63 Cb -0.18 -3.29 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 2aiv s GLU 63 CO -0.08 0.29 1.49 -0.35 -0.49 0.00 0.00 175.26 176.12 2aiv n PRO 64 N 2.01 0.75 0.00 0.39 -0.04 -1.26 -1.54 135.00 135.31 2aiv n PRO 64 Ca 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2aiv n PRO 64 Cb 0.47 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2aiv n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aiv n LYS 65 N 1.90 0.00 -3.89 0.54 5.02 -1.26 -4.89 118.16 115.57 2aiv n LYS 65 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 2aiv n LYS 65 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.32 2aiv n LYS 65 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aiv s THR 66 N -0.73 0.05 -0.12 -0.18 2.01 -0.59 -5.04 115.64 111.04 2aiv s THR 66 Ca 0.00 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.81 2aiv s THR 66 Cb 0.00 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2aiv s THR 66 CO 0.00 -0.25 -0.14 0.00 -0.69 0.00 0.00 174.62 173.54 2aiv s ILE 68 N 0.22 2.09 -0.19 0.00 1.01 -1.13 -4.94 121.20 118.25 2aiv s ILE 68 Ca -0.09 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 59.75 2aiv s ILE 68 Cb -0.15 -1.87 -0.20 0.00 0.01 0.00 0.00 42.46 40.24 2aiv s ILE 68 CO 0.05 0.54 -0.01 -0.38 0.00 0.00 0.00 174.94 175.14 2aiv n ILE 69 N 4.62 1.25 0.09 2.92 5.41 -1.26 -3.40 119.36 128.98 2aiv n ILE 69 Ca -0.21 -0.69 -0.03 0.00 1.00 0.00 0.00 62.75 62.82 2aiv n ILE 69 Cb 0.50 -0.74 0.20 0.00 -0.71 0.00 0.00 39.64 38.90 2aiv n ILE 69 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2aiv h TYR 70 N 0.00 0.30 -4.70 1.39 0.05 -1.93 -3.48 116.97 108.60 2aiv h TYR 70 Ca -0.49 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.15 2aiv h TYR 70 Cb 2.02 -0.06 0.04 0.00 1.01 0.00 0.00 36.73 39.74 2aiv h TYR 70 CO 0.01 0.65 -0.17 0.00 -1.05 0.00 0.00 178.16 177.59 2aiv n ALA 71 N -2.47 -2.13 -1.19 3.88 0.00 -1.26 -3.33 120.51 114.00 2aiv n ALA 71 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 2aiv n ALA 71 Cb 0.50 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 2aiv n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2aiv n ASN 72 N -1.88 -4.75 -4.56 0.00 5.03 -1.26 -4.93 115.26 102.91 2aiv n ASN 72 Ca -0.01 0.17 -0.31 0.00 0.87 0.00 0.00 54.58 55.29 2aiv n ASN 72 Cb 0.52 -2.84 -0.04 0.00 -1.02 0.00 0.00 39.78 36.40 2aiv n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2aiv s LEU 73 N -1.52 3.21 -0.80 3.41 1.43 -1.21 -4.93 118.68 118.26 2aiv s LEU 73 Ca 0.00 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2aiv s LEU 73 Cb 0.00 -2.55 0.20 0.00 0.03 0.00 0.00 46.19 43.87 2aiv s LEU 73 CO 0.00 -2.64 0.66 -2.16 0.23 0.00 0.00 176.35 172.44 2aiv s PRO 74 N 7.11 3.02 0.00 1.29 0.04 -1.26 -4.70 135.00 140.49 2aiv s PRO 74 Ca 0.70 -3.08 0.00 0.00 0.04 0.00 0.00 61.00 58.66 2aiv s PRO 74 Cb -0.09 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2aiv s PRO 74 CO 0.09 -1.24 0.00 -1.71 0.04 0.00 0.00 177.00 174.17 2aiv n ASN 75 N 2.61 -4.43 -4.56 6.66 2.85 -1.26 -4.92 115.26 112.21 2aiv n ASN 75 Ca 0.18 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.33 2aiv n ASN 75 Cb 0.37 -2.53 -0.04 0.00 1.24 0.00 0.00 39.78 38.82 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2aiv s ARG 76 N -1.33 2.72 -0.50 1.20 6.06 -1.26 -4.85 118.95 120.98 2aiv s ARG 76 Ca 0.00 -0.15 0.03 0.00 -2.50 0.00 0.00 55.73 53.11 2aiv s ARG 76 Cb 0.00 -4.88 0.59 0.00 0.06 0.00 0.00 34.95 30.72 2aiv s ARG 76 CO 0.00 -3.03 1.92 -0.35 -2.50 0.00 0.00 175.30 171.34 2aiv n PRO 77 N 8.97 2.38 -0.35 5.12 -0.04 -1.26 -4.59 135.00 145.22 2aiv n PRO 77 Ca 0.32 -3.12 -0.03 0.00 -0.04 0.00 0.00 63.50 60.64 2aiv n PRO 77 Cb 0.49 -2.19 0.10 0.00 -0.04 0.00 0.00 33.50 31.85 2aiv n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2aiv h LYS 78 N 1.31 1.25 -0.42 0.54 1.63 -1.97 -2.46 116.57 116.45 2aiv h LYS 78 Ca 0.60 -0.09 -0.14 0.00 -0.85 0.00 0.00 60.65 60.17 2aiv h LYS 78 Cb 2.19 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 33.53 2aiv h LYS 78 CO 1.21 0.84 -0.30 0.00 -3.45 0.00 0.00 179.45 177.75 2aiv h ARG 79 N 1.28 0.93 0.00 1.90 3.08 -2.02 -3.47 114.38 116.09 2aiv h ARG 79 Ca 0.34 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2aiv h ARG 79 Cb -0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2aiv h ARG 79 CO -0.07 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.34 2aiv n GLY 80 N -0.01 0.74 3.72 0.04 0.00 -0.93 -5.06 105.19 103.69 2aiv n GLY 80 Ca -0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 3.08 -0.23 1.61 2.02 -1.26 -5.10 118.70 118.18 2aiv s GLU 81 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2aiv s GLU 81 Cb 0.00 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 31.40 2aiv s GLU 81 CO 0.00 0.72 -0.14 0.20 0.02 0.00 0.00 175.26 176.06 2aiv s GLY 82 N -0.91 1.57 -0.16 -1.39 0.00 -1.26 -5.01 107.32 100.16 2aiv s GLY 82 Ca 0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 2aiv s GLY 82 CO 0.03 0.50 -0.04 -1.50 0.00 0.00 0.00 173.10 172.09 2aiv s ILE 83 N 1.16 3.75 0.49 0.90 2.07 -1.26 -4.74 121.20 123.57 2aiv s ILE 83 Ca -0.04 -0.40 -0.18 0.00 -1.41 0.00 0.00 60.65 58.62 2aiv s ILE 83 Cb -0.18 -2.65 -0.09 0.00 0.13 0.00 0.00 42.46 39.67 2aiv s ILE 83 CO -0.08 0.48 0.98 0.20 -1.91 0.00 0.00 174.94 174.61 2aiv s ASN 84 N 0.55 6.69 -0.44 4.50 0.01 -1.26 -4.98 114.94 120.02 2aiv s ASN 84 Ca -0.03 1.62 0.04 0.00 -0.71 0.00 0.00 52.86 53.78 2aiv s ASN 84 Cb -0.14 -2.52 0.55 0.00 0.41 0.00 0.00 41.25 39.55 2aiv s ASN 84 CO 0.03 -0.54 1.75 0.52 -1.51 0.00 0.00 177.10 177.35 2aiv n VAL 85 N -1.28 3.06 -1.20 1.60 0.31 -1.26 -4.77 118.33 114.80 2aiv n VAL 85 Ca 0.07 -2.61 -0.35 0.00 -0.01 0.00 0.00 64.34 61.43 2aiv n VAL 85 Cb 0.54 -0.65 -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 -1.14 -1.32 0.00 0.00 176.83 174.37 2aiv n ARG 86 N -1.05 2.66 -4.13 5.55 0.63 -1.26 -3.98 116.66 115.08 2aiv n ARG 86 Ca 0.52 -2.00 -0.09 0.00 -0.92 0.00 0.00 57.85 55.36 2aiv n ARG 86 Cb 1.19 -2.82 -0.10 0.00 0.45 0.00 0.00 32.46 31.19 2aiv n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2aiv s ALA 87 N 3.24 0.76 -0.14 5.13 0.00 -1.26 -3.91 121.76 125.58 2aiv s ALA 87 Ca 0.54 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 2aiv s ALA 87 Cb 0.14 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2aiv s ALA 87 CO -0.03 -0.30 0.02 1.03 0.00 0.00 0.00 175.76 176.48 2aiv s ARG 88 N -3.88 3.57 -0.15 0.00 0.52 -1.05 -4.04 118.95 113.91 2aiv s ARG 88 Ca 0.10 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2aiv s ARG 88 Cb 0.07 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 2aiv s ARG 88 CO -0.07 0.43 -0.06 0.42 0.02 0.00 0.00 175.30 176.04 2aiv s ILE 89 N -0.11 3.68 -0.10 1.52 1.01 -1.05 -2.68 121.20 123.48 2aiv s ILE 89 Ca 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2aiv s ILE 89 Cb -0.12 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2aiv s ILE 89 CO 0.02 0.49 -0.24 -0.89 0.00 0.00 0.00 174.94 174.32 2aiv s THR 90 N 0.43 2.05 0.06 2.92 2.01 -1.10 -3.00 115.64 119.01 2aiv s THR 90 Ca -0.05 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 2aiv s THR 90 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2aiv s THR 90 CO 0.03 0.56 -0.04 0.00 -0.69 0.00 0.00 174.62 174.48 2aiv s PHE 92 N -3.82 1.07 -1.35 0.00 -0.71 -1.25 -2.84 117.98 109.08 2aiv s PHE 92 Ca 0.08 -1.33 -0.09 0.00 -1.04 0.00 0.00 56.93 54.55 2aiv s PHE 92 Cb 0.07 -0.53 0.01 0.00 -1.21 0.00 0.00 43.02 41.36 2aiv s PHE 92 CO -0.09 -0.61 1.18 -1.71 -1.34 0.00 0.00 175.22 172.65 2aiv n ASN 93 N -0.22 -6.18 0.25 1.98 5.15 -1.26 -4.88 115.26 110.09 2aiv n ASN 93 Ca -0.00 -0.54 0.13 0.00 -0.60 0.00 0.00 54.58 53.57 2aiv n ASN 93 Cb 0.65 -5.02 0.59 0.00 -0.53 0.00 0.00 39.78 35.47 2aiv n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aiv s TYR 95 N -3.76 1.80 -1.16 0.00 6.14 -1.26 -4.90 117.35 114.22 2aiv s TYR 95 Ca 0.00 0.63 -0.06 0.00 0.64 0.00 0.00 57.07 58.28 2aiv s TYR 95 Cb 0.10 -4.06 0.08 0.00 0.42 0.00 0.00 41.96 38.50 2aiv s TYR 95 CO 0.59 -1.80 2.55 -0.35 0.64 0.00 0.00 175.55 177.19 2aiv n PRO 96 N 8.89 4.04 -0.98 4.97 -0.04 -1.26 -4.98 135.00 145.64 2aiv n PRO 96 Ca 0.38 -3.06 0.09 0.00 -0.04 0.00 0.00 63.50 60.87 2aiv n PRO 96 Cb 0.47 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 2aiv n PRO 96 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2aiv n VAL 97 N 1.78 -0.18 -3.03 0.52 3.14 -1.26 -4.64 118.33 114.66 2aiv n VAL 97 Ca 0.61 0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 61.90 2aiv n VAL 97 Cb 0.32 -0.58 -0.06 0.00 -1.06 0.00 0.00 33.84 32.46 2aiv n VAL 97 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2aiv s ASP 98 N -5.49 6.37 0.37 6.55 1.01 -1.24 -4.91 116.67 119.32 2aiv s ASP 98 Ca 0.00 -0.24 0.16 0.00 0.71 0.00 0.00 52.55 53.18 2aiv s ASP 98 Cb 0.00 -2.35 0.70 0.00 1.01 0.00 0.00 42.92 42.28 2aiv s ASP 98 CO 0.00 -0.86 1.77 0.07 0.21 0.00 0.00 175.17 176.36 2aiv h LYS 99 N 8.94 0.00 -0.95 8.23 2.10 -1.93 0.84 116.57 133.80 2aiv h LYS 99 Ca -0.25 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2aiv h LYS 99 Cb 1.09 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.37 2aiv h LYS 99 CO 0.93 0.40 0.63 0.66 -2.00 0.00 0.00 179.45 180.07 2aiv h SER 100 N 0.00 1.09 0.00 7.07 4.64 -2.00 -3.22 113.55 121.13 2aiv h SER 100 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2aiv h SER 100 Cb 0.81 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2aiv h SER 100 CO 0.05 0.78 0.00 0.35 -0.87 0.00 0.00 176.83 177.14 2aiv n THR 101 N -4.43 0.00 -1.78 2.95 -2.24 -1.20 -4.98 114.28 102.60 2aiv n THR 101 Ca 0.11 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2aiv n THR 101 Cb 0.02 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.03 -1.49 -2.10 -0.78 1.74 0.29 -4.89 116.66 109.40 2aiv n ARG 102 Ca 0.00 1.18 -0.32 0.00 -0.77 0.00 0.00 57.85 57.94 2aiv n ARG 102 Cb 0.01 -5.62 -0.04 0.00 -1.02 0.00 0.00 32.46 25.79 2aiv n ARG 102 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 103 N -4.04 2.67 -0.43 5.56 2.20 -1.05 -4.88 119.74 119.76 2aiv s LYS 103 Ca 0.00 -0.07 -0.38 0.00 -0.36 0.00 0.00 55.97 55.16 2aiv s LYS 103 Cb 0.00 -4.84 -0.14 0.00 -1.51 0.00 0.00 37.83 31.33 2aiv s LYS 103 CO 0.00 -3.05 2.20 -0.35 -0.36 0.00 0.00 175.35 173.79 2aiv n PRO 104 N 8.98 0.65 -3.28 4.03 -0.04 -1.26 -3.70 135.00 140.37 2aiv n PRO 104 Ca 0.32 0.17 -0.44 0.00 -0.04 0.00 0.00 63.50 63.51 2aiv n PRO 104 Cb 0.49 -2.10 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 2aiv n PRO 104 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2aiv s ILE 105 N 7.02 5.06 -0.18 0.52 2.07 -1.26 -4.89 121.20 129.54 2aiv s ILE 105 Ca 1.14 -0.76 0.16 0.00 -1.41 0.00 0.00 60.65 59.78 2aiv s ILE 105 Cb -1.09 -4.20 0.53 0.00 0.13 0.00 0.00 42.46 37.83 2aiv s ILE 105 CO 0.55 -0.67 1.43 0.29 -1.91 0.00 0.00 174.94 174.62 2aiv n LYS 106 N 5.67 2.87 -4.05 3.50 5.02 -1.26 -4.74 118.16 125.17 2aiv n LYS 106 Ca -0.09 -2.86 -0.10 0.00 -2.02 0.00 0.00 58.31 53.24 2aiv n LYS 106 Cb 0.45 -1.85 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.96 0.10 -0.75 4.39 1.01 -1.26 -5.12 116.67 113.08 2aiv s ASP 107 Ca 0.42 -1.05 0.01 0.00 0.71 0.00 0.00 52.55 52.64 2aiv s ASP 107 Cb 0.35 0.41 0.18 0.00 1.01 0.00 0.00 42.92 44.87 2aiv s ASP 107 CO 0.08 -0.88 0.58 -2.16 0.21 0.00 0.00 175.17 173.00 2aiv s PRO 108 N -4.03 2.76 0.00 8.23 0.04 -1.26 -4.85 135.00 135.89 2aiv s PRO 108 Ca 0.23 -3.10 0.24 0.00 0.04 0.00 0.00 61.00 58.41 2aiv s PRO 108 Cb 0.04 -3.69 0.49 0.00 0.04 0.00 0.00 34.50 31.39 2aiv s PRO 108 CO 0.04 -1.24 1.43 0.09 0.04 0.00 0.00 177.00 177.36 2aiv n ASN 109 N 2.50 2.67 -2.50 6.66 3.02 -1.26 -4.94 115.26 121.41 2aiv n ASN 109 Ca 0.17 -1.87 -0.21 0.00 -0.03 0.00 0.00 54.58 52.64 2aiv n ASN 109 Cb 0.36 -0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2aiv n HIS 110 N 1.03 -1.16 -0.35 3.10 8.25 -1.26 -4.88 115.22 119.96 2aiv n HIS 110 Ca 0.17 0.08 -0.03 0.00 -0.26 0.00 0.00 57.72 57.68 2aiv n HIS 110 Cb 0.52 -4.08 0.09 0.00 1.12 0.00 0.00 29.99 27.64 2aiv n HIS 110 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2aiv h GLN 111 N -0.23 1.28 0.00 -0.41 4.20 -1.96 -3.27 115.11 114.72 2aiv h GLN 111 Ca -0.51 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2aiv h GLN 111 Cb 1.37 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2aiv h GLN 111 CO 0.59 0.90 -0.26 1.28 -0.67 0.00 0.00 178.83 180.67 2aiv n LEU 112 N -4.35 0.81 -0.26 1.46 4.77 -1.26 -4.82 117.00 113.34 2aiv n LEU 112 Ca 0.10 -1.55 -0.06 0.00 -0.03 0.00 0.00 56.01 54.47 2aiv n LEU 112 Cb 0.07 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2aiv n LEU 112 CO 0.38 0.37 1.05 0.58 -1.33 0.00 0.00 177.39 178.44 2aiv h VAL 113 N 4.06 1.24 -0.88 4.08 2.07 -1.95 -2.31 116.25 122.56 2aiv h VAL 113 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2aiv h VAL 113 Cb 1.18 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2aiv h VAL 113 CO 0.00 0.30 0.55 0.11 0.02 0.00 0.00 177.57 178.55 2aiv h LYS 114 N 1.03 1.18 -0.72 1.57 1.57 -1.88 -2.42 116.57 116.90 2aiv h LYS 114 Ca 0.25 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2aiv h LYS 114 Cb 0.16 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2aiv h LYS 114 CO -0.03 0.80 0.26 0.00 -0.57 0.00 0.00 179.45 179.92 2aiv h ARG 115 N 1.20 1.09 -0.82 3.15 3.08 -1.82 -2.24 114.38 118.02 2aiv h ARG 115 Ca 0.32 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2aiv h ARG 115 Cb -0.09 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 2aiv h ARG 115 CO -0.06 0.91 0.35 0.45 -1.07 0.00 0.00 179.97 180.55 2aiv h HIS 116 N 1.04 1.22 -0.52 3.04 3.86 -1.03 -2.58 115.15 120.18 2aiv h HIS 116 Ca 0.24 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 2aiv h HIS 116 Cb 0.25 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2aiv h HIS 116 CO 0.02 0.91 -0.11 0.97 0.86 0.00 0.00 177.93 180.58 2aiv h ILE 117 N 1.18 1.27 -0.95 2.45 6.09 -1.25 -3.01 117.51 123.28 2aiv h ILE 117 Ca 0.28 -1.25 -0.00 0.00 -1.37 0.00 0.00 64.86 62.51 2aiv h ILE 117 Cb 0.18 0.98 -0.05 0.00 0.47 0.00 0.00 36.82 38.40 2aiv h ILE 117 CO -0.03 0.44 0.59 -0.33 -3.07 0.00 0.00 178.15 175.75 2aiv h GLU 118 N 0.87 1.28 -0.92 2.19 5.08 -1.12 -2.20 114.58 119.77 2aiv h GLU 118 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2aiv h GLU 118 Cb 0.66 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2aiv h GLU 118 CO 0.05 0.89 0.58 0.00 -1.00 0.00 0.00 179.01 179.52 2aiv h ARG 119 N 1.31 1.23 -0.87 2.33 2.47 -1.34 -2.01 114.38 117.50 2aiv h ARG 119 Ca 0.34 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2aiv h ARG 119 Cb -0.08 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 27.93 2aiv h ARG 119 CO -0.07 0.84 0.45 -0.07 0.56 0.00 0.00 179.97 181.68 2aiv h LEU 120 N 1.26 1.11 -1.00 3.04 3.38 -1.34 -2.38 115.31 119.38 2aiv h LEU 120 Ca 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2aiv h LEU 120 Cb -0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 2aiv h LEU 120 CO -0.07 0.91 0.58 0.11 0.09 0.00 0.00 178.44 180.07 2aiv h LYS 121 N 1.23 1.26 -0.98 1.13 1.57 -0.91 -2.29 116.57 117.59 2aiv h LYS 121 Ca 0.30 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2aiv h LYS 121 Cb 0.07 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.07 2aiv h LYS 121 CO -0.04 0.87 0.62 0.87 -0.57 0.00 0.00 179.45 181.20 2aiv h LYS 122 N 1.29 1.30 -5.85 3.15 1.79 -0.90 -3.39 116.57 113.97 2aiv h LYS 122 Ca 0.34 -0.10 -0.45 0.00 -2.18 0.00 0.00 60.65 58.26 2aiv h LYS 122 Cb -0.08 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 30.26 2aiv h LYS 122 CO -0.07 0.88 1.29 1.21 -1.08 0.00 0.00 179.45 181.69 2aiv s ASN 123 N -6.16 5.02 -0.16 0.86 3.84 -0.86 -4.84 114.94 112.64 2aiv s ASN 123 Ca -0.13 0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.31 2aiv s ASN 123 Cb 0.18 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.56 2aiv s ASN 123 CO 0.82 -2.59 1.41 -0.81 -2.79 0.00 0.00 177.10 173.14 2aiv n PRO 124 N 9.10 1.43 0.01 0.43 -0.04 -1.26 -3.79 135.00 140.88 2aiv n PRO 124 Ca 0.27 -1.00 0.11 0.00 -0.04 0.00 0.00 63.50 62.84 2aiv n PRO 124 Cb 0.52 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 2aiv n PRO 124 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aiv n ASN 125 N 0.08 0.22 -4.09 3.54 5.03 -1.26 -4.98 115.26 113.80 2aiv n ASN 125 Ca 0.20 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.58 2aiv n ASN 125 Cb 0.83 1.63 -0.10 0.00 -1.02 0.00 0.00 39.78 41.12 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2aiv s SER 126 N -4.57 0.50 -0.16 6.41 1.04 -1.25 -4.92 113.70 110.75 2aiv s SER 126 Ca -0.05 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 2aiv s SER 126 Cb 0.13 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 2aiv s SER 126 CO 0.88 -0.59 0.14 -0.54 0.98 0.00 0.00 173.24 174.11 2aiv s LYS 127 N -3.88 3.86 -0.27 4.02 1.02 -1.14 -5.00 119.74 118.35 2aiv s LYS 127 Ca 0.07 -0.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.64 2aiv s LYS 127 Cb 0.08 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2aiv s LYS 127 CO -0.10 0.51 0.91 0.12 -0.92 0.00 0.00 175.35 175.87 2aiv s PHE 128 N -0.26 3.25 -0.00 3.18 2.19 -1.26 -1.83 117.98 123.24 2aiv s PHE 128 Ca 0.12 1.11 -0.00 0.00 0.33 0.00 0.00 56.93 58.49 2aiv s PHE 128 Cb -0.12 -3.27 -0.00 0.00 -1.31 0.00 0.00 43.02 38.32 2aiv s PHE 128 CO 0.01 -0.54 -0.00 1.49 1.83 0.00 0.00 175.22 178.01 2aiv h GLU 129 N 7.85 0.00 -1.64 10.12 4.57 -1.85 -3.48 114.58 130.15 2aiv h GLU 129 Ca -0.22 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2aiv h GLU 129 Cb 1.08 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.41 2aiv h GLU 129 CO 0.93 0.00 0.38 -1.54 -1.18 0.00 0.00 179.01 177.59 2aiv s SER 130 N -3.20 -0.53 -0.02 1.04 1.04 -1.11 -5.06 113.70 105.85 2aiv s SER 130 Ca -0.00 0.94 0.08 0.00 0.48 0.00 0.00 55.95 57.45 2aiv s SER 130 Cb 0.00 1.06 -0.02 0.00 0.10 0.00 0.00 66.02 67.16 2aiv s SER 130 CO 0.00 -0.16 -0.26 -0.47 0.98 0.00 0.00 173.24 173.33 2aiv s TYR 131 N 0.71 2.33 -0.23 5.02 6.14 -1.26 -3.20 117.35 126.85 2aiv s TYR 131 Ca -0.02 -0.44 -0.06 0.00 0.64 0.00 0.00 57.07 57.19 2aiv s TYR 131 Cb -0.05 -1.50 -0.02 0.00 0.42 0.00 0.00 41.96 40.81 2aiv s TYR 131 CO -0.10 -0.04 0.01 -0.51 0.64 0.00 0.00 175.55 175.55 2aiv s ASP 132 N -0.60 4.70 0.15 4.32 1.01 -0.91 -4.99 116.67 120.34 2aiv s ASP 132 Ca 0.10 -0.31 -0.10 0.00 0.71 0.00 0.00 52.55 52.95 2aiv s ASP 132 Cb -0.10 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 2aiv s ASP 132 CO -0.01 -0.03 1.49 0.00 0.21 0.00 0.00 175.17 176.83 2aiv h ALA 133 N 8.17 0.60 -0.94 5.23 0.00 -1.94 0.89 119.26 131.27 2aiv h ALA 133 Ca -0.40 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2aiv h ALA 133 Cb 1.17 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2aiv h ALA 133 CO 0.59 0.68 0.59 -0.44 0.00 0.00 0.00 179.25 180.67 2aiv h ASP 134 N 0.75 1.11 0.00 0.00 3.32 -1.96 -3.02 116.42 116.63 2aiv h ASP 134 Ca 0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2aiv h ASP 134 Cb 0.97 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2aiv h ASP 134 CO 0.09 0.84 -1.69 -1.20 -1.72 0.00 0.00 179.24 175.56 2aiv n SER 135 N -4.39 0.32 0.00 6.45 7.64 -1.21 -4.97 113.62 117.47 2aiv n SER 135 Ca 0.11 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2aiv n SER 135 Cb 0.04 1.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.94 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 0.38 3.72 0.23 0.00 0.31 -4.85 105.19 106.31 2aiv n GLY 136 Ca -0.02 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 -1.94 3.85 -0.20 2.61 2.01 -1.15 -4.66 115.64 116.16 2aiv s THR 137 Ca 0.00 1.43 -0.01 0.00 0.31 0.00 0.00 61.69 63.43 2aiv s THR 137 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.61 2aiv s THR 137 CO 0.00 0.17 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.50 2aiv s TYR 138 N 0.49 2.87 -0.14 4.92 5.04 -1.13 -2.14 117.35 127.26 2aiv s TYR 138 Ca 0.55 -1.42 0.02 0.00 -2.44 0.00 0.00 57.07 53.79 2aiv s TYR 138 Cb -0.31 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.02 2aiv s TYR 138 CO 0.32 -0.72 -0.21 0.08 -1.34 0.00 0.00 175.55 173.69 2aiv s VAL 139 N 1.35 1.96 0.02 3.14 1.01 -1.20 -3.04 120.40 123.65 2aiv s VAL 139 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2aiv s VAL 139 Cb -0.14 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2aiv s VAL 139 CO -0.09 0.53 -0.03 0.72 0.00 0.00 0.00 175.10 176.23 2aiv s PHE 140 N 0.92 0.28 -0.17 5.22 -0.71 -1.16 -2.58 117.98 119.79 2aiv s PHE 140 Ca -0.05 -0.54 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 2aiv s PHE 140 Cb -0.15 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.47 2aiv s PHE 140 CO -0.04 -0.19 -0.20 0.42 -1.34 0.00 0.00 175.22 173.87 2aiv s ILE 141 N -1.50 2.03 -1.08 -4.49 1.01 -0.76 -2.53 121.20 113.87 2aiv s ILE 141 Ca -0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 2aiv s ILE 141 Cb -0.10 -1.82 0.29 0.00 0.01 0.00 0.00 42.46 40.84 2aiv s ILE 141 CO -0.01 0.54 1.31 0.52 0.00 0.00 0.00 174.94 177.30 2aiv n VAL 142 N 4.48 4.94 -2.95 2.92 0.31 -1.26 -2.89 118.33 123.88 2aiv n VAL 142 Ca -0.21 -5.69 -0.43 0.00 -0.01 0.00 0.00 64.34 58.00 2aiv n VAL 142 Cb 0.50 -2.29 -0.04 0.00 -0.91 0.00 0.00 33.84 31.10 2aiv n VAL 142 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2aiv s ASN 143 N -0.52 6.21 0.13 4.52 2.47 -1.26 -4.39 114.94 122.11 2aiv s ASN 143 Ca 0.31 -0.98 -0.05 0.00 0.42 0.00 0.00 52.86 52.56 2aiv s ASN 143 Cb -0.01 -2.38 -0.07 0.00 -1.45 0.00 0.00 41.25 37.34 2aiv s ASN 143 CO 0.02 -1.26 1.33 -0.74 -3.72 0.00 0.00 177.10 172.74 2aiv h HIS 144 N 9.36 0.67 -0.95 0.43 -0.00 -1.94 -3.27 115.15 119.46 2aiv h HIS 144 Ca -0.28 -0.34 0.01 0.00 -0.00 0.00 0.00 60.37 59.75 2aiv h HIS 144 Cb 1.08 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 28.35 2aiv h HIS 144 CO 0.90 1.15 0.62 0.00 -0.00 0.00 0.00 177.93 180.59 2aiv h ALA 145 N 0.75 1.30 -2.06 5.26 0.00 -1.96 -3.40 119.26 119.14 2aiv h ALA 145 Ca -0.07 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 2aiv h ALA 145 Cb 1.50 -0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2aiv h ALA 145 CO 0.16 0.64 0.64 0.00 0.00 0.00 0.00 179.25 180.68 2aiv s ALA 146 N -6.03 3.47 -0.02 0.00 0.00 -1.23 -5.03 121.76 112.92 2aiv s ALA 146 Ca -0.13 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2aiv s ALA 146 Cb 0.18 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2aiv s ALA 146 CO 0.81 -1.45 -0.25 -1.21 0.00 0.00 0.00 175.76 173.66 2aiv s GLU 147 N 3.40 2.06 -0.26 0.00 0.41 -1.26 -4.93 118.70 118.12 2aiv s GLU 147 Ca 0.39 -0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 53.84 2aiv s GLU 147 Cb -0.13 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.21 2aiv s GLU 147 CO 0.16 0.55 0.63 -0.65 -0.49 0.00 0.00 175.26 175.45 2aiv s GLN 148 N -0.60 4.09 0.00 1.61 -0.21 -1.26 -5.24 119.66 118.05 2aiv s GLN 148 Ca 0.10 0.52 0.10 0.00 0.02 0.00 0.00 55.36 56.10 2aiv s GLN 148 Cb -0.10 -3.66 0.08 0.00 1.00 0.00 0.00 33.01 30.34 2aiv s GLN 148 CO -0.01 -0.43 0.83 0.25 -2.12 0.00 0.00 175.29 173.81