#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 0.64 -2.50 1.61 -0.04 -1.26 -4.84 135.00 128.61 2aiv n PRO 2 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2aiv n PRO 2 Cb 0.00 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.73 7.30 0.17 3.54 0.02 -1.26 -4.96 114.94 120.47 2aiv s ASN 3 Ca 0.00 2.21 -0.09 0.00 -1.02 0.00 0.00 52.86 53.97 2aiv s ASN 3 Cb 0.00 -2.62 0.03 0.00 0.02 0.00 0.00 41.25 38.68 2aiv s ASN 3 CO 0.00 -0.13 1.52 -0.33 0.02 0.00 0.00 177.10 178.18 2aiv h GLU 4 N 4.10 0.88 -0.95 -0.60 5.08 -2.04 -3.16 114.58 117.89 2aiv h GLU 4 Ca -0.46 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.47 2aiv h GLU 4 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2aiv h GLU 4 CO 0.68 1.08 0.61 -0.91 -1.00 0.00 0.00 179.01 179.47 2aiv h ASN 5 N 0.73 1.12 -3.32 1.42 2.35 -1.97 -3.42 115.58 112.48 2aiv h ASN 5 Ca 0.07 -0.05 -0.66 0.00 -0.55 0.00 0.00 56.30 55.11 2aiv h ASN 5 Cb 0.91 -0.28 -0.17 0.00 0.05 0.00 0.00 38.32 38.83 2aiv h ASN 5 CO 0.08 0.83 -0.63 -0.31 -1.65 0.00 0.00 177.43 175.76 2aiv s TYR 6 N -6.06 3.14 -0.14 1.19 2.02 -1.19 -3.61 117.35 112.70 2aiv s TYR 6 Ca -0.13 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2aiv s TYR 6 Cb 0.17 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2aiv s TYR 6 CO 0.82 0.31 -0.22 -0.47 -1.57 0.00 0.00 175.55 174.42 2aiv s TYR 7 N -0.43 2.64 -0.06 2.71 6.14 -0.16 -4.42 117.35 123.77 2aiv s TYR 7 Ca 0.08 -1.33 0.01 0.00 0.64 0.00 0.00 57.07 56.46 2aiv s TYR 7 Cb -0.12 -1.80 0.02 0.00 0.42 0.00 0.00 41.96 40.48 2aiv s TYR 7 CO 0.02 -0.61 -0.05 0.42 0.64 0.00 0.00 175.55 175.97 2aiv s ILE 8 N 0.82 0.68 -1.23 3.14 -1.09 -1.25 -1.74 121.20 120.54 2aiv s ILE 8 Ca -0.07 -0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.13 2aiv s ILE 8 Cb -0.15 -0.71 0.20 0.00 -1.58 0.00 0.00 42.46 40.21 2aiv s ILE 8 CO -0.02 0.28 1.95 -0.24 -1.23 0.00 0.00 174.94 175.68 2aiv n SER 9 N 4.35 6.52 -4.48 3.58 2.88 0.16 -1.77 113.62 124.86 2aiv n SER 9 Ca -0.19 -3.25 -0.29 0.00 -1.33 0.00 0.00 58.87 53.80 2aiv n SER 9 Cb 0.51 -1.37 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 2aiv n SER 9 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2aiv n PRO 10 N 2.24 0.85 -0.91 -1.46 -0.04 -1.26 -4.06 135.00 130.36 2aiv n PRO 10 Ca 0.45 -3.38 -0.33 0.00 -0.04 0.00 0.00 63.50 60.20 2aiv n PRO 10 Cb 0.31 0.84 0.03 0.00 -0.04 0.00 0.00 33.50 34.64 2aiv n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2aiv n SER 11 N -1.35 -5.07 -0.37 3.54 7.64 -0.73 -4.25 113.62 113.03 2aiv n SER 11 Ca -0.17 0.14 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 2aiv n SER 11 Cb 0.59 -0.65 0.12 0.00 -1.01 0.00 0.00 64.21 63.26 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2aiv h LEU 12 N -0.91 1.12 -0.34 -3.43 3.38 -1.92 0.27 115.31 113.49 2aiv h LEU 12 Ca -0.39 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 2aiv h LEU 12 Cb 1.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2aiv h LEU 12 CO 0.21 0.79 -0.33 0.44 0.09 0.00 0.00 178.44 179.63 2aiv h ASP 13 N 1.31 0.88 -0.93 -0.43 3.45 -1.99 -2.51 116.42 116.20 2aiv h ASP 13 Ca 0.38 -0.47 -0.00 0.00 0.43 0.00 0.00 57.03 57.37 2aiv h ASP 13 Cb -0.08 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.40 2aiv h ASP 13 CO -0.10 1.16 0.56 0.74 -1.57 0.00 0.00 179.24 180.04 2aiv h THR 14 N 0.60 1.26 -0.62 0.35 2.02 -1.69 -2.61 112.91 112.22 2aiv h THR 14 Ca 0.05 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2aiv h THR 14 Cb 0.92 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2aiv h THR 14 CO 0.08 0.27 0.02 0.25 0.37 0.00 0.00 175.52 176.52 2aiv h LEU 15 N 1.29 1.06 -1.17 2.58 5.85 -0.89 -2.99 115.31 121.03 2aiv h LEU 15 Ca 0.34 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2aiv h LEU 15 Cb -0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 2aiv h LEU 15 CO -0.06 1.09 0.56 -1.28 -0.34 0.00 0.00 178.44 178.41 2aiv h SER 16 N 0.99 0.97 0.00 1.25 0.87 -1.08 -0.76 113.55 115.78 2aiv h SER 16 Ca 0.18 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2aiv h SER 16 Cb 0.54 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2aiv h SER 16 CO 0.03 0.70 0.00 -1.54 -0.53 0.00 0.00 176.83 175.49 2aiv n SER 17 N -4.41 0.01 -4.73 6.23 3.41 -1.06 -4.69 113.62 108.38 2aiv n SER 17 Ca 0.10 0.50 -0.31 0.00 -0.26 0.00 0.00 58.87 58.90 2aiv n SER 17 Cb 0.02 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 63.59 2aiv n SER 17 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2aiv s TYR 18 N -3.00 2.19 1.02 7.33 1.51 -0.29 -5.01 117.35 121.09 2aiv s TYR 18 Ca -0.00 1.65 -0.12 0.00 -1.01 0.00 0.00 57.07 57.58 2aiv s TYR 18 Cb 0.00 -3.17 0.20 0.00 -0.11 0.00 0.00 41.96 38.88 2aiv s TYR 18 CO 0.00 -2.21 1.08 -1.54 -1.11 0.00 0.00 175.55 171.77 2aiv s SER 19 N -3.11 2.40 0.14 2.29 1.04 -1.26 -4.62 113.70 110.58 2aiv s SER 19 Ca 0.63 1.27 -0.18 0.00 0.48 0.00 0.00 55.95 58.16 2aiv s SER 19 Cb -0.19 -1.95 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 2aiv s SER 19 CO 0.57 -3.28 1.78 -0.07 0.98 0.00 0.00 173.24 173.22 2aiv h LEU 20 N -2.00 0.27 -0.34 2.42 3.38 -1.95 0.16 115.31 117.26 2aiv h LEU 20 Ca -0.55 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.27 2aiv h LEU 20 Cb 1.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2aiv h LEU 20 CO 0.56 0.20 -0.39 0.25 0.09 0.00 0.00 178.44 179.15 2aiv h LEU 21 N 0.35 0.93 -0.33 1.67 6.46 -1.98 -2.15 115.31 120.26 2aiv h LEU 21 Ca 0.12 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2aiv h LEU 21 Cb 0.01 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2aiv h LEU 21 CO -0.06 1.22 0.18 -0.61 -0.62 0.00 0.00 178.44 178.55 2aiv h GLN 22 N 0.65 0.46 -0.39 1.25 4.15 -1.77 -0.23 115.11 119.24 2aiv h GLN 22 Ca 0.05 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 2aiv h GLN 22 Cb 0.98 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2aiv h GLN 22 CO 0.09 0.39 -0.38 1.37 -1.93 0.00 0.00 178.83 178.38 2aiv h LEU 23 N 0.41 1.01 -0.78 -2.39 8.10 -0.72 -3.14 115.31 117.80 2aiv h LEU 23 Ca 0.12 -0.46 -0.04 0.00 0.11 0.00 0.00 57.88 57.60 2aiv h LEU 23 Cb 0.07 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 39.97 2aiv h LEU 23 CO -0.02 1.26 0.31 0.03 -4.11 0.00 0.00 178.44 175.92 2aiv h ARG 24 N 0.77 1.16 -3.43 0.17 3.08 -1.26 -3.35 114.38 111.52 2aiv h ARG 24 Ca 0.06 -0.21 -0.70 0.00 0.07 0.00 0.00 59.98 59.21 2aiv h ARG 24 Cb 0.97 -0.19 -0.36 0.00 0.08 0.00 0.00 29.97 30.48 2aiv h ARG 24 CO 0.09 0.94 -0.26 0.15 -1.07 0.00 0.00 179.97 179.83 2aiv s LYS 25 N -5.56 2.87 -0.86 0.04 1.02 -0.11 0.29 119.74 117.44 2aiv s LYS 25 Ca -0.12 -2.89 -0.25 0.00 0.02 0.00 0.00 55.97 52.72 2aiv s LYS 25 Cb 0.15 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2aiv s LYS 25 CO 0.83 -1.22 1.85 0.08 -0.92 0.00 0.00 175.35 175.98 2aiv s VAL 26 N -0.69 3.50 0.00 3.17 1.01 -1.21 -4.72 120.40 121.46 2aiv s VAL 26 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2aiv s VAL 26 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2aiv s VAL 26 CO -0.08 -1.08 0.13 -0.81 0.00 0.00 0.00 175.10 173.26 2aiv n PRO 27 N 8.93 0.00 -3.15 2.72 -0.04 -1.26 -4.19 135.00 138.01 2aiv n PRO 27 Ca 0.35 0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.37 2aiv n PRO 27 Cb 0.48 -0.63 -0.05 0.00 -0.04 0.00 0.00 33.50 33.27 2aiv n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2aiv s HIS 28 N -0.26 3.05 -0.10 0.54 5.65 -1.26 -4.35 115.29 118.56 2aiv s HIS 28 Ca 0.00 -1.00 0.04 0.00 0.25 0.00 0.00 55.06 54.35 2aiv s HIS 28 Cb 0.00 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 2aiv s HIS 28 CO 0.00 -1.23 -0.24 -1.17 -0.65 0.00 0.00 174.74 171.45 2aiv s LEU 29 N 2.47 2.09 -0.24 8.88 2.96 -1.13 -4.87 118.68 128.84 2aiv s LEU 29 Ca 0.10 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2aiv s LEU 29 Cb -0.25 -1.41 0.05 0.00 0.50 0.00 0.00 46.19 45.08 2aiv s LEU 29 CO 0.06 0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.44 2aiv s VAL 30 N 0.37 1.99 -0.06 1.68 1.01 -1.26 0.45 120.40 124.58 2aiv s VAL 30 Ca -0.18 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.43 2aiv s VAL 30 Cb -0.18 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2aiv s VAL 30 CO 0.08 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.46 2aiv s VAL 31 N 1.21 1.02 -2.47 2.92 1.01 -0.63 0.40 120.40 123.85 2aiv s VAL 31 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2aiv s VAL 31 Cb -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2aiv s VAL 31 CO -0.07 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2aiv n GLY 32 N 3.86 -1.74 3.35 4.51 0.00 -0.71 -3.39 105.19 111.07 2aiv n GLY 32 Ca -0.23 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2aiv n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aiv s HIS 33 N -2.39 2.75 0.24 1.61 2.46 -1.08 -0.98 115.29 117.90 2aiv s HIS 33 Ca 0.00 -0.66 -0.07 0.00 0.47 0.00 0.00 55.06 54.80 2aiv s HIS 33 Cb 0.00 -1.80 0.23 0.00 -0.13 0.00 0.00 32.58 30.88 2aiv s HIS 33 CO 0.00 -0.21 1.89 0.87 -2.47 0.00 0.00 174.74 174.82 2aiv h LYS 34 N 6.56 1.27 -0.93 2.88 1.57 -1.82 0.31 116.57 126.40 2aiv h LYS 34 Ca -0.27 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2aiv h LYS 34 Cb 1.21 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2aiv h LYS 34 CO 0.54 0.89 0.61 0.77 -0.57 0.00 0.00 179.45 181.68 2aiv h SER 35 N 1.29 1.09 0.00 0.86 0.02 -1.94 -3.38 113.55 111.49 2aiv h SER 35 Ca 0.34 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2aiv h SER 35 Cb -0.06 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.21 2aiv h SER 35 CO -0.06 0.80 0.00 -1.22 -1.14 0.00 0.00 176.83 175.21 2aiv n TYR 36 N -4.41 0.00 -3.51 3.45 4.01 -0.98 -5.08 117.16 110.63 2aiv n TYR 36 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 2aiv n TYR 36 Cb 0.02 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 2aiv n TYR 36 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2aiv s GLY 37 N -1.06 -0.47 -0.17 2.72 0.00 0.06 -4.14 107.32 104.25 2aiv s GLY 37 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 2aiv s GLY 37 CO 0.00 0.62 0.08 -1.59 0.00 0.00 0.00 173.10 172.21 2aiv s LYS 38 N -2.29 3.92 0.17 2.90 -2.85 -1.25 -2.63 119.74 117.71 2aiv s LYS 38 Ca -0.01 -0.30 0.06 0.00 -1.00 0.00 0.00 55.97 54.72 2aiv s LYS 38 Cb -0.01 -3.24 -0.05 0.00 -2.06 0.00 0.00 37.83 32.48 2aiv s LYS 38 CO -0.03 0.35 -0.12 0.96 0.10 0.00 0.00 175.35 176.62 2aiv s ILE 39 N 0.16 1.37 -0.03 3.79 -4.36 -1.22 -3.53 121.20 117.38 2aiv s ILE 39 Ca 0.06 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.38 2aiv s ILE 39 Cb -0.12 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 2aiv s ILE 39 CO 0.00 -0.69 -0.17 -1.61 0.24 0.00 0.00 174.94 172.71 2aiv s GLU 40 N -3.71 1.54 -0.23 0.37 2.02 -0.84 -1.61 118.70 116.24 2aiv s GLU 40 Ca 0.19 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 2aiv s GLU 40 Cb 0.01 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.82 2aiv s GLU 40 CO 0.03 0.29 0.01 -0.06 0.02 0.00 0.00 175.26 175.55 2aiv s PHE 41 N -0.15 3.02 -1.10 1.61 0.40 0.17 -1.70 117.98 120.22 2aiv s PHE 41 Ca 0.01 -0.69 0.15 0.00 -0.60 0.00 0.00 56.93 55.81 2aiv s PHE 41 Cb -0.09 -2.17 0.48 0.00 0.51 0.00 0.00 43.02 41.76 2aiv s PHE 41 CO 0.01 -0.45 1.41 1.28 0.70 0.00 0.00 175.22 178.16 2aiv n LEU 42 N 4.85 3.60 -4.80 -0.37 4.77 -1.16 -2.85 117.00 121.04 2aiv n LEU 42 Ca -0.17 -2.20 -0.31 0.00 -0.03 0.00 0.00 56.01 53.30 2aiv n LEU 42 Cb 0.51 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 2aiv n LEU 42 CO 0.30 0.80 0.71 -1.83 -1.33 0.00 0.00 177.39 176.03 2aiv s GLU 43 N -1.37 2.50 -0.81 3.23 1.03 -1.02 -4.82 118.70 117.44 2aiv s GLU 43 Ca 0.36 0.92 -0.00 0.00 0.03 0.00 0.00 54.97 56.28 2aiv s GLU 43 Cb 0.21 -1.94 0.20 0.00 -0.80 0.00 0.00 34.13 31.80 2aiv s GLU 43 CO 0.20 -1.40 0.67 -1.25 -1.33 0.00 0.00 175.26 172.15 2aiv s PRO 44 N -5.03 2.99 -0.93 -4.83 0.04 -1.26 -3.33 135.00 122.64 2aiv s PRO 44 Ca 0.60 -3.19 -0.19 0.00 0.04 0.00 0.00 61.00 58.26 2aiv s PRO 44 Cb -0.15 -3.80 -0.11 0.00 0.04 0.00 0.00 34.50 30.48 2aiv s PRO 44 CO 0.55 -1.25 2.01 1.33 0.04 0.00 0.00 177.00 179.68 2aiv n VAL 45 N 2.42 2.22 -1.55 -0.36 0.24 0.15 -4.59 118.33 116.85 2aiv n VAL 45 Ca 0.19 -1.89 -0.15 0.00 -2.04 0.00 0.00 64.34 60.45 2aiv n VAL 45 Cb 0.37 -2.38 -0.09 0.00 -1.47 0.00 0.00 33.84 30.27 2aiv n VAL 45 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2aiv n ASP 46 N 6.97 1.48 -0.01 -1.34 5.75 0.96 -4.13 116.55 126.23 2aiv n ASP 46 Ca 0.50 -1.33 0.07 0.00 -0.01 0.00 0.00 54.79 54.02 2aiv n ASP 46 Cb 0.38 -1.54 -0.10 0.00 -1.03 0.00 0.00 41.12 38.83 2aiv n ASP 46 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2aiv n LEU 47 N 17.18 0.13 -3.68 -2.12 4.77 -1.26 -4.66 117.00 127.37 2aiv n LEU 47 Ca 0.49 -0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.11 2aiv n LEU 47 Cb 0.40 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2aiv n LEU 47 CO 0.61 0.03 0.22 0.00 -1.33 0.00 0.00 177.39 176.92 2aiv n ALA 48 N -1.85 -1.30 0.00 -1.18 0.00 -1.26 -3.85 120.51 111.06 2aiv n ALA 48 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2aiv n ALA 48 Cb 0.33 -5.29 0.00 0.00 0.00 0.00 0.00 19.45 14.49 2aiv n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aiv n GLY 49 N -1.94 0.23 3.26 0.00 0.00 -1.26 -4.93 105.19 100.55 2aiv n GLY 49 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2aiv n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aiv n ILE 50 N 0.00 -7.30 -1.33 -0.61 -0.00 -1.25 -4.91 119.36 103.96 2aiv n ILE 50 Ca 0.00 0.30 -0.24 0.00 -0.00 0.00 0.00 62.75 62.82 2aiv n ILE 50 Cb 0.00 -5.28 0.15 0.00 -0.00 0.00 0.00 39.64 34.51 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 -0.84 2.36 -0.21 0.38 -0.04 -1.26 -4.61 135.00 130.78 2aiv n PRO 51 Ca -0.04 -3.17 -0.05 0.00 -0.04 0.00 0.00 63.50 60.20 2aiv n PRO 51 Cb 0.58 -2.15 0.11 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.32 0.96 -0.70 1.53 3.38 -1.95 -3.08 115.31 116.76 2aiv h LEU 52 Ca 0.55 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.48 2aiv h LEU 52 Cb 2.08 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 42.45 2aiv h LEU 52 CO 1.10 0.93 -0.09 0.71 0.09 0.00 0.00 178.44 181.17 2aiv h THR 53 N 0.97 0.34 -0.62 0.22 1.35 -1.90 0.66 112.91 113.94 2aiv h THR 53 Ca 0.21 -0.02 -0.09 0.00 -0.55 0.00 0.00 66.41 65.96 2aiv h THR 53 Cb 0.34 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 2aiv h THR 53 CO 0.00 0.01 0.02 0.77 -0.25 0.00 0.00 175.52 176.07 2aiv h SER 54 N 0.05 1.04 -0.94 5.36 4.64 -1.93 -2.66 113.55 119.11 2aiv h SER 54 Ca 0.36 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2aiv h SER 54 Cb 0.58 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 2aiv h SER 54 CO -0.67 1.08 0.57 -0.07 -0.87 0.00 0.00 176.83 176.87 2aiv h LEU 55 N 0.98 1.13 0.00 5.97 3.38 -0.32 -3.45 115.31 123.00 2aiv h LEU 55 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2aiv h LEU 55 Cb 0.54 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2aiv h LEU 55 CO 0.03 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2aiv n GLY 56 N -1.24 -0.91 0.00 0.83 0.00 0.19 -5.07 105.19 98.98 2aiv n GLY 56 Ca 0.11 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.11 1.40 0.16 -0.02 0.00 -1.03 -4.89 105.19 100.92 2aiv n GLY 57 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2aiv n GLY 57 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2aiv h VAL 58 N 0.00 1.35 -6.82 1.61 3.04 -1.88 -3.47 116.25 110.08 2aiv h VAL 58 Ca 0.00 -1.69 -0.56 0.00 -1.01 0.00 0.00 66.70 63.44 2aiv h VAL 58 Cb 0.00 1.91 -0.24 0.00 -2.01 0.00 0.00 31.29 30.95 2aiv h VAL 58 CO 0.00 0.48 -0.85 0.00 -1.01 0.00 0.00 177.57 176.20 2aiv n ILE 59 N -3.95 -0.87 -0.35 3.17 0.13 -1.26 -4.39 119.36 111.83 2aiv n ILE 59 Ca -0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 2aiv n ILE 59 Cb 0.51 -1.51 0.00 0.00 -0.84 0.00 0.00 39.64 37.80 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2aiv n ILE 60 N -4.34 -1.92 -4.09 9.51 5.41 -1.26 -5.10 119.36 117.58 2aiv n ILE 60 Ca 0.08 0.51 -0.07 0.00 1.00 0.00 0.00 62.75 64.27 2aiv n ILE 60 Cb 0.48 -1.12 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 2aiv n ILE 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2aiv s THR 61 N -1.71 0.22 -0.21 1.39 -1.32 -0.83 -5.06 115.64 108.12 2aiv s THR 61 Ca 0.00 -1.81 -0.01 0.00 -1.21 0.00 0.00 61.69 58.66 2aiv s THR 61 Cb 0.00 -1.52 0.06 0.00 -1.51 0.00 0.00 72.50 69.53 2aiv s THR 61 CO 0.00 -1.00 -0.01 0.12 -2.21 0.00 0.00 174.62 171.52 2aiv s PHE 62 N -3.91 1.74 1.19 9.09 2.19 -1.26 -2.69 117.98 124.33 2aiv s PHE 62 Ca 0.07 -1.31 -0.19 0.00 0.33 0.00 0.00 56.93 55.83 2aiv s PHE 62 Cb 0.08 -1.32 0.28 0.00 -1.31 0.00 0.00 43.02 40.75 2aiv s PHE 62 CO -0.10 -0.69 1.11 -1.21 1.83 0.00 0.00 175.22 176.16 2aiv s GLU 63 N 1.62 -1.13 -0.91 10.12 0.41 0.14 -4.87 118.70 124.08 2aiv s GLU 63 Ca -0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 54.97 54.42 2aiv s GLU 63 Cb -0.18 -1.61 0.23 0.00 -1.78 0.00 0.00 34.13 30.79 2aiv s GLU 63 CO -0.07 -3.65 0.82 -1.25 -0.49 0.00 0.00 175.26 170.62 2aiv s PRO 64 N -5.40 3.47 0.00 0.39 0.04 -1.26 -3.79 135.00 128.45 2aiv s PRO 64 Ca 0.71 -3.07 0.00 0.00 0.04 0.00 0.00 61.00 58.67 2aiv s PRO 64 Cb -0.10 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2aiv s PRO 64 CO 0.56 -1.25 0.00 1.63 0.04 0.00 0.00 177.00 177.98 2aiv n LYS 65 N 2.77 0.00 -3.77 4.56 5.02 -1.26 -5.09 118.16 120.38 2aiv n LYS 65 Ca 0.19 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2aiv n LYS 65 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.31 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 -2.00 0.06 -0.10 -0.18 2.01 -1.25 -5.11 115.64 109.07 2aiv s THR 66 Ca 0.00 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.56 2aiv s THR 66 Cb 0.00 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2aiv s THR 66 CO 0.00 -0.27 -0.24 0.00 -0.69 0.00 0.00 174.62 173.43 2aiv s ILE 68 N 0.35 2.05 -0.01 0.00 1.01 -1.10 -4.90 121.20 118.60 2aiv s ILE 68 Ca -0.19 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 2aiv s ILE 68 Cb -0.18 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 2aiv s ILE 68 CO 0.09 0.54 -0.03 -0.38 0.00 0.00 0.00 174.94 175.16 2aiv n ILE 69 N 4.60 0.13 0.05 2.92 5.41 -1.26 -1.96 119.36 129.24 2aiv n ILE 69 Ca -0.21 0.44 -0.12 0.00 1.00 0.00 0.00 62.75 63.86 2aiv n ILE 69 Cb 0.50 -1.53 -0.07 0.00 -0.71 0.00 0.00 39.64 37.83 2aiv n ILE 69 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2aiv h TYR 70 N -0.08 -0.03 0.00 1.39 3.20 -1.97 -3.37 116.97 116.12 2aiv h TYR 70 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2aiv h TYR 70 Cb 0.08 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2aiv h TYR 70 CO -0.03 -0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.48 2aiv n ALA 71 N -2.11 0.00 -0.33 1.82 0.00 -1.26 -4.89 120.51 113.74 2aiv n ALA 71 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2aiv n ALA 71 Cb 0.05 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.62 2aiv n ALA 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2aiv h ASN 72 N 0.00 1.09 -0.99 0.00 2.35 -1.93 -3.38 115.58 112.73 2aiv h ASN 72 Ca 0.00 -0.05 -0.34 0.00 -0.55 0.00 0.00 56.30 55.36 2aiv h ASN 72 Cb 0.00 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.05 2aiv h ASN 72 CO 0.00 0.82 0.87 -0.22 -1.65 0.00 0.00 177.43 177.25 2aiv s LEU 73 N -9.99 3.19 0.00 1.61 0.20 -1.26 -4.85 118.68 107.57 2aiv s LEU 73 Ca -0.12 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.23 2aiv s LEU 73 Cb 0.18 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 2aiv s LEU 73 CO 0.82 -2.66 0.70 -0.81 -0.29 0.00 0.00 176.35 174.10 2aiv n PRO 74 N 8.93 0.63 -0.07 0.98 -0.04 -1.26 -3.03 135.00 141.14 2aiv n PRO 74 Ca 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 2aiv n PRO 74 Cb 0.48 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.80 2.65 -4.56 3.54 3.02 -1.26 -4.90 115.26 114.55 2aiv n ASN 75 Ca 0.00 -0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.20 2aiv n ASN 75 Cb 0.31 0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 2aiv n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2aiv s ARG 76 N -2.28 2.65 -0.25 3.52 1.81 -1.17 -4.85 118.95 118.38 2aiv s ARG 76 Ca -0.14 -0.14 0.02 0.00 -1.72 0.00 0.00 55.73 53.74 2aiv s ARG 76 Cb 0.04 -4.92 0.33 0.00 -0.45 0.00 0.00 34.95 29.96 2aiv s ARG 76 CO 0.38 -3.14 1.56 -0.35 -0.68 0.00 0.00 175.30 173.07 2aiv n PRO 77 N 8.94 1.69 -0.38 3.54 -0.04 -1.26 -4.45 135.00 143.04 2aiv n PRO 77 Ca 0.35 -1.59 -0.01 0.00 -0.04 0.00 0.00 63.50 62.20 2aiv n PRO 77 Cb 0.48 -1.63 0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.67 1.29 0.00 0.54 1.79 -2.00 -3.45 116.57 115.41 2aiv h LYS 78 Ca 0.33 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2aiv h LYS 78 Cb 1.83 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 2aiv h LYS 78 CO 0.62 0.86 0.00 0.54 -1.08 0.00 0.00 179.45 180.38 2aiv n ARG 79 N -4.40 0.00 0.00 3.15 1.74 -1.26 -4.91 116.66 110.98 2aiv n ARG 79 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2aiv n ARG 79 Cb 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 2aiv n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aiv n GLY 80 N 0.00 -3.30 3.35 -0.13 0.00 -1.26 -4.95 105.19 98.89 2aiv n GLY 80 Ca 0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.99 2.19 0.00 1.61 2.02 -1.26 -4.78 118.70 117.49 2aiv s GLU 81 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2aiv s GLU 81 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.12 2aiv s GLU 81 CO 0.00 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2aiv n GLY 82 N 2.40 3.62 3.48 -1.39 0.00 -1.26 -5.06 105.19 106.99 2aiv n GLY 82 Ca -0.16 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 2aiv n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2aiv s ILE 83 N 0.00 5.26 0.06 -0.61 2.07 -1.26 -1.76 121.20 124.95 2aiv s ILE 83 Ca 0.00 -0.53 -0.05 0.00 -1.41 0.00 0.00 60.65 58.66 2aiv s ILE 83 Cb 0.00 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 38.68 2aiv s ILE 83 CO 0.00 -0.22 0.29 0.20 -1.91 0.00 0.00 174.94 173.31 2aiv s ASN 84 N 1.69 6.48 -0.44 4.50 0.02 -1.26 -5.01 114.94 120.92 2aiv s ASN 84 Ca 0.05 0.54 0.04 0.00 -1.02 0.00 0.00 52.86 52.47 2aiv s ASN 84 Cb -0.19 -2.07 0.56 0.00 0.02 0.00 0.00 41.25 39.57 2aiv s ASN 84 CO 0.10 0.18 1.76 1.33 0.02 0.00 0.00 177.10 180.50 2aiv n VAL 85 N 0.71 3.07 -1.54 1.60 0.24 -1.26 -4.75 118.33 116.41 2aiv n VAL 85 Ca -0.08 -2.56 -0.41 0.00 -2.04 0.00 0.00 64.34 59.26 2aiv n VAL 85 Cb 0.52 -0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 32.25 2aiv n VAL 85 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2aiv n ARG 86 N -1.06 3.29 -4.16 7.34 0.63 -1.26 -3.90 116.66 117.53 2aiv n ARG 86 Ca 0.52 -2.43 -0.10 0.00 -0.92 0.00 0.00 57.85 54.92 2aiv n ARG 86 Cb 1.22 -3.04 -0.10 0.00 0.45 0.00 0.00 32.46 30.99 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 2.63 0.94 -0.16 5.13 0.00 -1.26 -2.42 121.76 126.61 2aiv s ALA 87 Ca 0.58 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 2aiv s ALA 87 Cb 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2aiv s ALA 87 CO -0.07 -0.25 -0.01 1.03 0.00 0.00 0.00 175.76 176.46 2aiv s ARG 88 N -3.84 3.74 -0.16 0.00 0.52 -0.69 -3.63 118.95 114.89 2aiv s ARG 88 Ca 0.11 -0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 54.82 2aiv s ARG 88 Cb 0.06 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2aiv s ARG 88 CO -0.05 0.27 -0.01 0.96 0.02 0.00 0.00 175.30 176.49 2aiv s ILE 89 N 0.31 4.14 -0.25 1.52 -4.36 0.17 -1.98 121.20 120.76 2aiv s ILE 89 Ca -0.01 -0.27 -0.07 0.00 -0.26 0.00 0.00 60.65 60.04 2aiv s ILE 89 Cb -0.14 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 2aiv s ILE 89 CO 0.02 0.49 0.06 -0.89 0.24 0.00 0.00 174.94 174.86 2aiv s THR 90 N 0.35 4.25 0.30 8.37 2.01 -1.23 -0.04 115.64 129.65 2aiv s THR 90 Ca -0.02 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2aiv s THR 90 Cb -0.14 -2.99 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 2aiv s THR 90 CO 0.02 0.34 0.76 0.00 -0.69 0.00 0.00 174.62 175.05 2aiv s PHE 92 N -1.84 2.80 -0.49 0.00 -0.71 -1.26 -3.98 117.98 112.51 2aiv s PHE 92 Ca 0.51 1.00 -0.28 0.00 -1.04 0.00 0.00 56.93 57.12 2aiv s PHE 92 Cb -0.12 -3.24 0.01 0.00 -1.21 0.00 0.00 43.02 38.46 2aiv s PHE 92 CO 0.18 -1.89 1.39 -0.80 -1.34 0.00 0.00 175.22 172.77 2aiv s ASN 93 N -4.07 6.25 0.00 1.98 0.01 -1.26 -4.83 114.94 113.02 2aiv s ASN 93 Ca 0.62 0.54 0.28 0.00 -0.71 0.00 0.00 52.86 53.58 2aiv s ASN 93 Cb -0.14 -2.54 1.07 0.00 0.41 0.00 0.00 41.25 40.05 2aiv s ASN 93 CO 0.53 -1.56 1.75 0.00 -1.51 0.00 0.00 177.10 176.32 2aiv h TYR 95 N 2.28 0.25 -0.66 0.00 3.20 -1.88 -1.57 116.97 118.58 2aiv h TYR 95 Ca 0.00 0.04 -0.37 0.00 3.14 0.00 0.00 58.73 61.54 2aiv h TYR 95 Cb 0.48 0.01 -0.20 0.00 1.54 0.00 0.00 36.73 38.56 2aiv h TYR 95 CO 0.00 -0.11 0.47 -0.35 -1.64 0.00 0.00 178.16 176.54 2aiv n PRO 96 N -5.18 1.90 -3.27 1.82 -0.04 -0.79 -4.03 135.00 125.41 2aiv n PRO 96 Ca 0.15 -2.04 -0.25 0.00 -0.04 0.00 0.00 63.50 61.31 2aiv n PRO 96 Cb 0.48 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.47 -0.45 -2.25 0.52 3.14 -0.59 -3.27 118.33 114.95 2aiv n VAL 97 Ca 0.40 -4.03 -0.43 0.00 -2.96 0.00 0.00 64.34 57.33 2aiv n VAL 97 Cb 1.12 -1.91 -0.02 0.00 -1.06 0.00 0.00 33.84 31.96 2aiv n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2aiv s ASP 98 N -1.05 6.83 0.47 6.55 3.68 0.22 -4.81 116.67 128.57 2aiv s ASP 98 Ca 0.35 1.91 0.18 0.00 2.13 0.00 0.00 52.55 57.12 2aiv s ASP 98 Cb 0.13 -2.54 1.16 0.00 -1.45 0.00 0.00 42.92 40.23 2aiv s ASP 98 CO -0.12 -0.83 2.03 0.07 0.13 0.00 0.00 175.17 176.45 2aiv h LYS 99 N 8.74 0.00 0.58 4.34 2.10 -1.94 1.00 116.57 131.39 2aiv h LYS 99 Ca -0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.31 2aiv h LYS 99 Cb 1.13 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2aiv h LYS 99 CO 0.96 0.15 -0.28 1.03 -2.00 0.00 0.00 179.45 179.32 2aiv h SER 100 N 0.00 -0.66 0.00 7.07 0.87 -1.98 -3.35 113.55 115.50 2aiv h SER 100 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2aiv h SER 100 Cb 0.30 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2aiv h SER 100 CO 0.02 -0.48 -0.14 0.35 -0.53 0.00 0.00 176.83 176.06 2aiv n THR 101 N -5.43 1.13 -3.26 2.23 -2.24 -1.22 -4.97 114.28 100.53 2aiv n THR 101 Ca -0.13 -1.33 -0.23 0.00 -2.27 0.00 0.00 64.05 60.10 2aiv n THR 101 Cb 0.32 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.82 -6.18 -1.84 -0.78 1.74 0.34 -4.92 116.66 104.19 2aiv n ARG 102 Ca 0.08 0.87 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 2aiv n ARG 102 Cb 0.60 -5.79 -0.01 0.00 -1.02 0.00 0.00 32.46 26.24 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 -5.95 4.15 -0.79 5.56 1.02 -0.75 -4.58 119.74 118.39 2aiv s LYS 103 Ca 0.42 2.51 -0.01 0.00 0.02 0.00 0.00 55.97 58.92 2aiv s LYS 103 Cb -0.19 -3.02 0.20 0.00 -0.52 0.00 0.00 37.83 34.30 2aiv s LYS 103 CO 0.52 -0.54 0.64 -1.25 -0.92 0.00 0.00 175.35 173.81 2aiv s PRO 104 N -1.11 2.95 -0.47 -1.68 0.04 -1.20 0.71 135.00 134.24 2aiv s PRO 104 Ca 0.58 -3.11 -0.26 0.00 0.04 0.00 0.00 61.00 58.26 2aiv s PRO 104 Cb -0.46 -3.80 0.03 0.00 0.04 0.00 0.00 34.50 30.30 2aiv s PRO 104 CO 0.53 -1.24 0.94 0.42 0.04 0.00 0.00 177.00 177.68 2aiv s ILE 105 N -1.05 4.45 -0.93 0.56 1.01 -1.22 -4.88 121.20 119.14 2aiv s ILE 105 Ca 0.24 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 2aiv s ILE 105 Cb -0.10 -4.45 0.29 0.00 0.01 0.00 0.00 42.46 38.21 2aiv s ILE 105 CO -0.11 -0.86 1.27 0.29 0.00 0.00 0.00 174.94 175.53 2aiv n LYS 106 N 7.23 3.91 -3.83 2.79 5.02 -1.26 -1.89 118.16 130.13 2aiv n LYS 106 Ca 0.06 -4.61 -0.12 0.00 -2.02 0.00 0.00 58.31 51.63 2aiv n LYS 106 Cb 0.48 -2.43 -0.09 0.00 -0.02 0.00 0.00 35.03 32.98 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 -2.04 -0.04 -1.20 4.39 1.11 -1.26 -5.08 116.67 112.55 2aiv s ASP 107 Ca 0.35 -0.18 -0.05 0.00 0.18 0.00 0.00 52.55 52.84 2aiv s ASP 107 Cb 0.09 0.27 0.21 0.00 1.07 0.00 0.00 42.92 44.56 2aiv s ASP 107 CO 0.06 -0.46 1.94 -0.81 1.18 0.00 0.00 175.17 177.07 2aiv n PRO 108 N 1.11 4.48 -3.82 8.23 -0.04 -1.26 -4.96 135.00 138.73 2aiv n PRO 108 Ca -0.21 -3.96 -0.22 0.00 -0.04 0.00 0.00 63.50 59.07 2aiv n PRO 108 Cb 0.57 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 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 -0.31 4.78 -0.25 3.54 0.01 -1.26 -4.98 114.94 116.46 2aiv s ASN 109 Ca 0.42 -0.89 0.12 0.00 -0.71 0.00 0.00 52.86 51.81 2aiv s ASN 109 Cb 0.13 -0.54 0.56 0.00 0.41 0.00 0.00 41.25 41.81 2aiv s ASN 109 CO -0.03 -0.60 1.51 1.41 -1.51 0.00 0.00 177.10 177.88 2aiv n HIS 110 N -1.41 1.29 -0.37 2.20 8.25 -1.26 -4.57 115.22 119.36 2aiv n HIS 110 Ca 0.01 -1.23 -0.01 0.00 -0.26 0.00 0.00 57.72 56.24 2aiv n HIS 110 Cb 0.63 -0.46 0.13 0.00 1.12 0.00 0.00 29.99 31.41 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 1.58 1.28 0.00 -0.41 5.75 -1.98 -3.25 115.11 118.07 2aiv h GLN 111 Ca 0.15 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2aiv h GLN 111 Cb 1.71 -0.29 0.00 0.00 1.07 0.00 0.00 27.48 29.97 2aiv h GLN 111 CO 0.39 0.84 -0.13 1.47 -2.65 0.00 0.00 178.83 178.76 2aiv n LEU 112 N -4.40 0.89 -0.18 -2.39 -0.00 -1.26 -4.80 117.00 104.85 2aiv n LEU 112 Ca 0.12 -1.28 -0.10 0.00 -0.00 0.00 0.00 56.01 54.75 2aiv n LEU 112 Cb 0.04 -0.08 0.01 0.00 -0.00 0.00 0.00 43.42 43.39 2aiv n LEU 112 CO 0.36 0.31 0.80 0.58 -0.00 0.00 0.00 177.39 179.44 2aiv h VAL 113 N 2.82 1.26 -0.93 1.47 2.07 -1.80 -2.96 116.25 118.18 2aiv h VAL 113 Ca 0.00 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2aiv h VAL 113 Cb 0.99 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2aiv h VAL 113 CO 0.00 0.40 0.57 0.11 0.02 0.00 0.00 177.57 178.66 2aiv h LYS 114 N 0.82 1.26 -0.92 1.57 1.57 -1.87 -2.63 116.57 116.36 2aiv h LYS 114 Ca 0.15 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2aiv h LYS 114 Cb 0.55 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2aiv h LYS 114 CO 0.03 0.88 0.57 0.00 -0.57 0.00 0.00 179.45 180.36 2aiv h ARG 115 N 1.28 1.24 -0.85 3.15 2.47 -1.87 -1.13 114.38 118.68 2aiv h ARG 115 Ca 0.33 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2aiv h ARG 115 Cb -0.06 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 27.95 2aiv h ARG 115 CO -0.06 0.86 0.48 0.45 0.56 0.00 0.00 179.97 182.25 2aiv h HIS 116 N 1.27 1.15 -0.36 3.04 3.86 -1.35 -1.63 115.15 121.13 2aiv h HIS 116 Ca 0.33 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.37 2aiv h HIS 116 Cb -0.08 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.01 2aiv h HIS 116 CO 0.00 0.79 -0.35 0.82 0.86 0.00 0.00 177.93 180.06 2aiv h ILE 117 N 1.18 1.28 -0.89 2.45 1.08 -1.28 -2.74 117.51 118.59 2aiv h ILE 117 Ca 0.30 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 2aiv h ILE 117 Cb 0.01 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 2aiv h ILE 117 CO -0.05 0.50 0.50 -0.33 -0.69 0.00 0.00 178.15 178.08 2aiv h GLU 118 N 0.67 1.23 -0.60 2.37 5.08 -0.91 0.60 114.58 123.02 2aiv h GLU 118 Ca 0.06 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2aiv h GLU 118 Cb 0.93 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2aiv h GLU 118 CO 0.09 0.89 0.06 0.00 -1.00 0.00 0.00 179.01 179.05 2aiv h ARG 119 N 1.24 1.01 -0.29 2.33 3.08 -1.25 -2.47 114.38 118.03 2aiv h ARG 119 Ca 0.31 -0.29 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 2aiv h ARG 119 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2aiv h ARG 119 CO -0.05 0.97 -0.54 1.37 -1.07 0.00 0.00 179.97 180.65 2aiv h LEU 120 N 0.91 0.98 -0.93 3.04 8.10 -1.17 -2.79 115.31 123.45 2aiv h LEU 120 Ca 0.18 -0.52 -0.00 0.00 0.11 0.00 0.00 57.88 57.64 2aiv h LEU 120 Cb 0.48 -0.28 -0.05 0.00 -0.44 0.00 0.00 40.66 40.37 2aiv h LEU 120 CO 0.02 1.32 0.57 0.50 -4.11 0.00 0.00 178.44 176.74 2aiv h LYS 121 N 0.68 1.26 -0.30 0.17 3.64 -0.79 -2.42 116.57 118.80 2aiv h LYS 121 Ca 0.02 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2aiv h LYS 121 Cb 1.15 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2aiv h LYS 121 CO 0.12 0.87 -0.37 1.57 -2.27 0.00 0.00 179.45 179.37 2aiv h LYS 122 N 1.28 0.70 -5.80 1.90 2.10 -1.45 -3.41 116.57 111.90 2aiv h LYS 122 Ca 0.34 -0.35 -0.48 0.00 -2.00 0.00 0.00 60.65 58.15 2aiv h LYS 122 Cb -0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 2aiv h LYS 122 CO -0.06 0.96 1.50 -0.80 -2.00 0.00 0.00 179.45 179.04 2aiv s ASN 123 N -6.83 4.86 -0.24 7.07 0.02 -0.91 -4.83 114.94 114.08 2aiv s ASN 123 Ca -0.09 0.78 0.01 0.00 -1.02 0.00 0.00 52.86 52.54 2aiv s ASN 123 Cb 0.12 -2.51 0.30 0.00 0.02 0.00 0.00 41.25 39.17 2aiv s ASN 123 CO 0.84 -2.61 1.56 -0.81 0.02 0.00 0.00 177.10 176.10 2aiv n PRO 124 N 9.07 1.64 -0.04 -0.60 -0.04 -1.26 -3.76 135.00 140.00 2aiv n PRO 124 Ca 0.29 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2aiv n PRO 124 Cb 0.53 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.15 1.18 -4.09 3.54 3.02 -1.26 -4.97 115.26 112.53 2aiv n ASN 125 Ca 0.29 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.62 2aiv n ASN 125 Cb 0.96 1.32 -0.15 0.00 -0.61 0.00 0.00 39.78 41.30 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2aiv s SER 126 N -4.42 1.54 0.05 6.41 0.15 -1.25 -4.95 113.70 111.24 2aiv s SER 126 Ca -0.07 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 2aiv s SER 126 Cb 0.08 -0.17 -0.06 0.00 -1.71 0.00 0.00 66.02 64.16 2aiv s SER 126 CO 0.66 0.16 0.75 -0.54 1.20 0.00 0.00 173.24 175.47 2aiv s LYS 127 N -0.31 4.48 -0.30 5.44 1.02 -0.10 -4.96 119.74 125.01 2aiv s LYS 127 Ca 0.05 1.04 -0.26 0.00 0.02 0.00 0.00 55.97 56.81 2aiv s LYS 127 Cb -0.05 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2aiv s LYS 127 CO -0.00 0.33 0.94 0.12 -0.92 0.00 0.00 175.35 175.82 2aiv s PHE 128 N -0.22 3.21 0.00 3.18 5.36 -1.26 -0.94 117.98 127.31 2aiv s PHE 128 Ca 0.37 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2aiv s PHE 128 Cb -0.21 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 2aiv s PHE 128 CO 0.23 -0.63 0.00 -1.91 -1.46 0.00 0.00 175.22 171.45 2aiv n GLU 129 N 6.48 0.00 -3.84 10.12 2.13 -0.96 -4.90 120.64 129.66 2aiv n GLU 129 Ca 0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 2aiv n GLU 129 Cb 0.47 -0.22 -0.13 0.00 0.27 0.00 0.00 31.44 31.83 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 -1.01 -0.07 -0.09 4.31 0.01 -0.86 -5.01 113.70 110.98 2aiv s SER 130 Ca 0.00 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.44 2aiv s SER 130 Cb 0.00 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 2aiv s SER 130 CO 0.00 -0.03 -0.23 -0.47 0.41 0.00 0.00 173.24 172.92 2aiv s TYR 131 N 0.06 2.44 -0.30 2.43 5.04 -1.26 0.34 117.35 126.11 2aiv s TYR 131 Ca -0.00 -0.95 -0.06 0.00 -2.44 0.00 0.00 57.07 53.63 2aiv s TYR 131 Cb -0.01 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.69 2aiv s TYR 131 CO -0.00 -0.37 0.06 -0.51 -1.34 0.00 0.00 175.55 173.39 2aiv s ASP 132 N 0.27 5.04 0.14 4.32 1.01 -0.90 -4.98 116.67 121.57 2aiv s ASP 132 Ca -0.16 -0.86 -0.11 0.00 0.71 0.00 0.00 52.55 52.13 2aiv s ASP 132 Cb -0.17 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 2aiv s ASP 132 CO 0.08 -0.22 1.47 0.00 0.21 0.00 0.00 175.17 176.70 2aiv h ALA 133 N 8.19 0.56 -0.97 5.23 0.00 -1.90 0.84 119.26 131.21 2aiv h ALA 133 Ca -0.29 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2aiv h ALA 133 Cb 1.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2aiv h ALA 133 CO 0.60 0.68 0.62 -0.44 0.00 0.00 0.00 179.25 180.71 2aiv h ASP 134 N 0.76 1.13 0.02 0.00 3.45 -1.93 -2.83 116.42 117.02 2aiv h ASP 134 Ca 0.06 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2aiv h ASP 134 Cb 1.00 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 2aiv h ASP 134 CO 0.10 0.84 -1.17 -0.24 -1.57 0.00 0.00 179.24 177.19 2aiv n SER 135 N -4.38 0.80 0.00 6.45 2.88 -1.20 -4.89 113.62 113.27 2aiv n SER 135 Ca 0.11 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2aiv n SER 135 Cb 0.03 1.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 2aiv n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aiv n GLY 136 N 1.45 1.75 3.75 0.46 0.00 0.29 -4.82 105.19 108.08 2aiv n GLY 136 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.51 4.09 0.13 2.61 2.01 -1.20 -4.76 115.64 118.01 2aiv s THR 137 Ca 0.00 2.07 0.06 0.00 0.31 0.00 0.00 61.69 64.13 2aiv s THR 137 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2aiv s THR 137 CO 0.00 0.50 -0.13 -0.72 -0.69 0.00 0.00 174.62 173.57 2aiv s TYR 138 N -1.15 1.40 -0.20 4.92 -0.85 -1.26 -2.12 117.35 118.09 2aiv s TYR 138 Ca 0.41 -0.59 -0.04 0.00 -0.52 0.00 0.00 57.07 56.32 2aiv s TYR 138 Cb -0.26 -0.72 -0.02 0.00 0.38 0.00 0.00 41.96 41.34 2aiv s TYR 138 CO 0.32 0.15 -0.02 0.08 -1.52 0.00 0.00 175.55 174.56 2aiv s VAL 139 N -2.42 3.73 -0.02 -3.49 1.01 0.15 -2.33 120.40 117.04 2aiv s VAL 139 Ca 0.11 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2aiv s VAL 139 Cb -0.03 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2aiv s VAL 139 CO 0.03 0.43 -0.12 -0.36 0.00 0.00 0.00 175.10 175.09 2aiv s PHE 140 N 1.08 2.77 -0.14 5.22 0.40 0.94 -2.03 117.98 126.22 2aiv s PHE 140 Ca 0.02 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2aiv s PHE 140 Cb -0.14 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2aiv s PHE 140 CO 0.01 0.27 -0.22 0.42 0.70 0.00 0.00 175.22 176.40 2aiv s ILE 141 N -0.84 2.10 -0.57 0.64 1.01 -0.11 0.42 121.20 123.84 2aiv s ILE 141 Ca 0.14 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2aiv s ILE 141 Cb -0.11 -1.83 0.16 0.00 0.01 0.00 0.00 42.46 40.69 2aiv s ILE 141 CO 0.03 0.55 0.40 -0.69 0.00 0.00 0.00 174.94 175.24 2aiv s VAL 142 N 0.75 1.91 -0.35 2.92 1.01 -1.24 -0.92 120.40 124.48 2aiv s VAL 142 Ca -0.09 -3.52 -0.14 0.00 0.00 0.00 0.00 61.98 58.23 2aiv s VAL 142 Cb -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2aiv s VAL 142 CO -0.00 -1.05 0.32 0.21 0.00 0.00 0.00 175.10 174.58 2aiv s ASN 143 N -0.71 6.14 0.00 3.32 3.84 -1.25 -4.61 114.94 121.67 2aiv s ASN 143 Ca 0.26 -0.33 0.20 0.00 0.21 0.00 0.00 52.86 53.21 2aiv s ASN 143 Cb -0.05 -2.18 0.50 0.00 -0.55 0.00 0.00 41.25 38.96 2aiv s ASN 143 CO -0.15 -0.31 1.42 1.41 -2.79 0.00 0.00 177.10 176.68 2aiv n HIS 144 N 5.29 0.70 -0.34 0.43 8.25 -1.26 -4.20 115.22 124.10 2aiv n HIS 144 Ca -0.10 -0.40 -0.03 0.00 -0.26 0.00 0.00 57.72 56.93 2aiv n HIS 144 Cb 0.49 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.69 2aiv n HIS 144 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aiv h ALA 145 N 3.90 1.15 0.00 -1.41 0.00 -1.91 -3.23 119.26 117.76 2aiv h ALA 145 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2aiv h ALA 145 Cb 0.93 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2aiv h ALA 145 CO 0.00 0.60 -1.71 0.00 0.00 0.00 0.00 179.25 178.14 2aiv n ALA 146 N -2.38 2.21 -3.50 0.00 0.00 -1.26 -5.01 120.51 110.57 2aiv n ALA 146 Ca 0.10 -0.51 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 2aiv n ALA 146 Cb 0.05 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.27 2aiv n ALA 146 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2aiv n GLU 147 N -2.15 -7.36 -1.82 0.00 4.07 -1.22 -4.91 120.64 107.25 2aiv n GLU 147 Ca -0.09 0.84 -0.41 0.00 -0.06 0.00 0.00 57.16 57.44 2aiv n GLU 147 Cb 0.56 -5.86 -0.00 0.00 -0.06 0.00 0.00 31.44 26.08 2aiv n GLU 147 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2aiv s GLN 148 N -6.21 4.12 0.00 5.31 -0.21 -1.26 -5.12 119.66 116.29 2aiv s GLN 148 Ca 0.54 2.55 0.06 0.00 0.02 0.00 0.00 55.36 58.53 2aiv s GLN 148 Cb -0.24 -2.97 0.05 0.00 1.00 0.00 0.00 33.01 30.84 2aiv s GLN 148 CO 0.67 -0.52 0.68 0.25 -2.12 0.00 0.00 175.29 174.25