#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 1.56 -2.44 1.61 -0.04 -1.26 -4.93 135.00 129.51 2aiv n PRO 2 Ca 0.00 -1.29 -0.42 0.00 -0.04 0.00 0.00 63.50 61.75 2aiv n PRO 2 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 2aiv n PRO 2 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2aiv s ASN 3 N 0.10 7.09 -0.55 3.54 2.47 -1.26 -4.99 114.94 121.34 2aiv s ASN 3 Ca 0.25 1.98 -0.20 0.00 0.42 0.00 0.00 52.86 55.31 2aiv s ASN 3 Cb 0.20 -2.58 0.07 0.00 -1.45 0.00 0.00 41.25 37.50 2aiv s ASN 3 CO 0.04 -0.47 0.71 -1.83 -3.72 0.00 0.00 177.10 171.83 2aiv s GLU 4 N 1.14 3.12 0.00 0.43 -1.05 -1.26 -4.87 118.70 116.21 2aiv s GLU 4 Ca 0.58 -0.94 0.27 0.00 -0.15 0.00 0.00 54.97 54.73 2aiv s GLU 4 Cb -0.29 -4.15 0.81 0.00 -0.44 0.00 0.00 34.13 30.06 2aiv s GLU 4 CO 0.29 -1.40 1.61 0.09 0.95 0.00 0.00 175.26 176.80 2aiv n ASN 5 N 6.50 1.92 -4.74 0.83 3.02 -1.26 -4.90 115.26 116.63 2aiv n ASN 5 Ca -0.06 -1.64 -0.41 0.00 -0.03 0.00 0.00 54.58 52.44 2aiv n ASN 5 Cb 0.45 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 2aiv n ASN 5 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2aiv s TYR 6 N -2.00 3.77 0.06 3.10 1.51 -1.26 -4.13 117.35 118.40 2aiv s TYR 6 Ca 0.35 1.65 -0.07 0.00 -1.01 0.00 0.00 57.07 57.99 2aiv s TYR 6 Cb 0.21 -2.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.10 2aiv s TYR 6 CO 0.32 0.23 0.14 1.52 -1.11 0.00 0.00 175.55 176.66 2aiv s TYR 7 N -0.01 0.18 -0.05 2.71 1.13 -1.23 -5.06 117.35 115.03 2aiv s TYR 7 Ca 0.43 -0.53 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 2aiv s TYR 7 Cb -0.22 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.54 2aiv s TYR 7 CO 0.27 -0.45 -0.11 0.42 -2.51 0.00 0.00 175.55 173.17 2aiv s ILE 8 N -3.20 1.01 -1.18 -3.49 1.09 -1.24 -3.73 121.20 110.47 2aiv s ILE 8 Ca -0.00 -0.44 -0.05 0.00 -1.10 0.00 0.00 60.65 59.06 2aiv s ILE 8 Cb 0.02 -0.91 0.23 0.00 -1.06 0.00 0.00 42.46 40.73 2aiv s ILE 8 CO -0.07 0.32 1.91 -0.24 -0.10 0.00 0.00 174.94 176.75 2aiv n SER 9 N 3.58 6.79 -4.45 3.58 2.88 0.15 -1.89 113.62 124.27 2aiv n SER 9 Ca -0.21 -3.34 -0.29 0.00 -1.33 0.00 0.00 58.87 53.70 2aiv n SER 9 Cb 0.53 -1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 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 1.67 0.87 -0.73 -1.46 -0.04 -1.26 -3.44 135.00 130.60 2aiv n PRO 10 Ca 0.44 -3.35 -0.34 0.00 -0.04 0.00 0.00 63.50 60.22 2aiv n PRO 10 Cb 0.30 0.85 0.15 0.00 -0.04 0.00 0.00 33.50 34.75 2aiv n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aiv n SER 11 N -1.33 -2.50 -0.35 3.54 2.88 -0.79 -4.50 113.62 110.57 2aiv n SER 11 Ca -0.18 -0.11 -0.03 0.00 -1.33 0.00 0.00 58.87 57.23 2aiv n SER 11 Cb 0.58 -0.86 0.10 0.00 -0.75 0.00 0.00 64.21 63.28 2aiv n SER 11 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aiv h LEU 12 N -1.87 1.11 -0.32 2.46 4.07 -1.99 -1.44 115.31 117.33 2aiv h LEU 12 Ca -0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.36 2aiv h LEU 12 Cb 1.37 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 2aiv h LEU 12 CO 0.35 0.84 0.09 0.44 -1.08 0.00 0.00 178.44 179.08 2aiv h ASP 13 N 1.28 0.48 -0.96 -0.43 3.45 -2.00 -2.05 116.42 116.19 2aiv h ASP 13 Ca 0.34 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.58 2aiv h ASP 13 Cb -0.08 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.52 2aiv h ASP 13 CO -0.07 0.57 0.61 0.74 -1.57 0.00 0.00 179.24 179.53 2aiv h THR 14 N 0.36 1.26 -0.75 0.35 2.02 -1.80 -2.43 112.91 111.91 2aiv h THR 14 Ca 0.10 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2aiv h THR 14 Cb 0.28 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 2aiv h THR 14 CO -0.00 0.26 0.30 0.25 0.37 0.00 0.00 175.52 176.69 2aiv h LEU 15 N 1.32 1.04 -1.19 2.58 5.85 -1.07 -2.77 115.31 121.07 2aiv h LEU 15 Ca 0.35 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2aiv h LEU 15 Cb -0.10 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.61 2aiv h LEU 15 CO -0.07 0.93 0.55 -1.28 -0.34 0.00 0.00 178.44 178.23 2aiv h SER 16 N 1.08 0.95 0.04 1.25 0.87 -0.89 -0.62 113.55 116.23 2aiv h SER 16 Ca 0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2aiv h SER 16 Cb 0.22 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2aiv h SER 16 CO -0.02 0.69 0.00 -1.20 -0.53 0.00 0.00 176.83 175.77 2aiv n SER 17 N -4.41 0.00 -4.74 6.23 7.64 -1.04 -4.73 113.62 112.57 2aiv n SER 17 Ca 0.09 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.70 2aiv n SER 17 Cb 0.03 -0.14 0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.28 2.30 0.98 1.43 1.51 -0.24 -5.04 117.35 116.01 2aiv s TYR 18 Ca 0.06 1.62 -0.16 0.00 -1.01 0.00 0.00 57.07 57.59 2aiv s TYR 18 Cb 0.03 -3.13 0.19 0.00 -0.11 0.00 0.00 41.96 38.94 2aiv s TYR 18 CO 0.06 -2.09 1.25 -1.12 -1.11 0.00 0.00 175.55 172.54 2aiv s SER 19 N -3.19 2.93 0.12 2.29 0.01 -1.26 -4.68 113.70 109.92 2aiv s SER 19 Ca 0.63 0.46 -0.20 0.00 1.31 0.00 0.00 55.95 58.15 2aiv s SER 19 Cb -0.19 -0.65 -0.09 0.00 0.21 0.00 0.00 66.02 65.31 2aiv s SER 19 CO 0.57 -2.87 1.77 -0.07 0.41 0.00 0.00 173.24 173.05 2aiv h LEU 20 N -1.73 0.18 -0.32 2.44 4.07 -1.97 0.21 115.31 118.19 2aiv h LEU 20 Ca -0.45 -0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.34 2aiv h LEU 20 Cb 1.27 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 2aiv h LEU 20 CO 0.43 0.13 -0.42 0.25 -1.08 0.00 0.00 178.44 177.75 2aiv h LEU 21 N 0.21 0.92 -0.85 1.67 6.46 -1.99 -3.12 115.31 118.61 2aiv h LEU 21 Ca 0.06 -0.50 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 2aiv h LEU 21 Cb -0.02 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 2aiv h LEU 21 CO -0.01 1.24 0.43 -0.61 -0.62 0.00 0.00 178.44 178.86 2aiv h GLN 22 N 0.63 1.21 -0.94 1.25 4.15 -1.79 -1.03 115.11 118.59 2aiv h GLN 22 Ca 0.04 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2aiv h GLN 22 Cb 1.02 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 2aiv h GLN 22 CO 0.10 0.92 0.55 -0.07 -1.93 0.00 0.00 178.83 178.40 2aiv h LEU 23 N 1.20 1.14 0.00 -2.39 3.38 -0.59 -1.54 115.31 116.52 2aiv h LEU 23 Ca 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2aiv h LEU 23 Cb 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2aiv h LEU 23 CO -0.04 0.89 -0.06 0.54 0.09 0.00 0.00 178.44 179.86 2aiv n ARG 24 N -4.34 0.01 -3.71 1.13 1.74 -1.00 -4.30 116.66 106.19 2aiv n ARG 24 Ca 0.10 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 2aiv n ARG 24 Cb 0.07 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 2aiv n ARG 24 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2aiv s LYS 25 N -3.01 1.60 -0.86 5.56 2.20 -0.42 -0.83 119.74 123.98 2aiv s LYS 25 Ca 0.13 -2.46 -0.25 0.00 -0.36 0.00 0.00 55.97 53.03 2aiv s LYS 25 Cb 0.18 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 2aiv s LYS 25 CO 0.55 -1.24 1.89 0.08 -0.36 0.00 0.00 175.35 176.27 2aiv s VAL 26 N -0.29 3.47 0.00 4.02 1.01 -1.23 -4.72 120.40 122.66 2aiv s VAL 26 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2aiv s VAL 26 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2aiv s VAL 26 CO -0.09 -1.02 0.00 -0.81 0.00 0.00 0.00 175.10 173.18 2aiv n PRO 27 N 8.92 0.00 -3.19 2.72 -0.04 -1.26 -4.21 135.00 137.94 2aiv n PRO 27 Ca 0.36 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.37 2aiv n PRO 27 Cb 0.48 -0.29 -0.05 0.00 -0.04 0.00 0.00 33.50 33.60 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 3.09 -0.19 0.54 3.76 -1.26 -4.13 115.29 117.11 2aiv s HIS 28 Ca 0.00 -1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 53.84 2aiv s HIS 28 Cb 0.00 -3.88 -0.01 0.00 1.11 0.00 0.00 32.58 29.80 2aiv s HIS 28 CO 0.00 -1.17 -0.08 -1.17 -0.85 0.00 0.00 174.74 171.47 2aiv s LEU 29 N 2.28 2.82 -0.18 0.89 0.20 -1.22 -4.48 118.68 119.00 2aiv s LEU 29 Ca 0.09 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.55 2aiv s LEU 29 Cb -0.26 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2aiv s LEU 29 CO 0.06 0.05 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.28 2aiv s VAL 30 N 1.04 2.05 -0.01 1.68 1.01 -1.22 -2.35 120.40 122.60 2aiv s VAL 30 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2aiv s VAL 30 Cb -0.15 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2aiv s VAL 30 CO -0.01 0.53 -0.00 0.54 0.00 0.00 0.00 175.10 176.16 2aiv s VAL 31 N 1.29 0.07 -5.00 2.92 0.11 0.91 0.31 120.40 121.01 2aiv s VAL 31 Ca 0.05 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2aiv s VAL 31 Cb -0.13 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2aiv s VAL 31 CO -0.13 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2aiv n GLY 32 N 3.43 -0.09 3.15 6.54 0.00 -1.24 0.29 105.19 117.26 2aiv n GLY 32 Ca -0.17 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.46 1.48 0.23 1.61 2.46 -0.54 -3.50 115.29 114.58 2aiv s HIS 33 Ca 0.00 -0.29 -0.07 0.00 0.47 0.00 0.00 55.06 55.17 2aiv s HIS 33 Cb 0.00 -0.95 0.23 0.00 -0.13 0.00 0.00 32.58 31.74 2aiv s HIS 33 CO 0.00 -0.02 1.90 -0.22 -2.47 0.00 0.00 174.74 173.93 2aiv h LYS 34 N 5.65 1.15 -0.51 2.88 3.64 -1.84 0.82 116.57 128.37 2aiv h LYS 34 Ca -0.36 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 2aiv h LYS 34 Cb 1.15 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2aiv h LYS 34 CO 0.48 0.76 -0.16 1.03 -2.27 0.00 0.00 179.45 179.29 2aiv h SER 35 N 1.19 1.02 0.00 4.20 0.87 -1.96 -3.39 113.55 115.48 2aiv h SER 35 Ca 0.34 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2aiv h SER 35 Cb -0.10 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.59 2aiv h SER 35 CO -0.09 1.16 0.00 -1.22 -0.53 0.00 0.00 176.83 176.15 2aiv n TYR 36 N -4.13 0.00 0.00 2.24 4.02 -0.89 -4.91 117.16 113.49 2aiv n TYR 36 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2aiv n TYR 36 Cb 0.43 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 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 2.15 1.01 3.71 2.72 0.00 0.28 -3.35 105.19 111.72 2aiv n GLY 37 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 4.15 -0.10 1.61 1.02 -0.07 -1.47 119.74 122.88 2aiv s LYS 38 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 55.97 55.79 2aiv s LYS 38 Cb 0.00 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2aiv s LYS 38 CO 0.00 0.28 -0.24 0.42 -0.92 0.00 0.00 175.35 174.89 2aiv s ILE 39 N 0.42 2.04 -0.05 2.17 1.01 0.15 0.21 121.20 127.15 2aiv s ILE 39 Ca 0.07 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2aiv s ILE 39 Cb -0.11 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.60 2aiv s ILE 39 CO -0.01 0.56 -0.10 -1.61 0.00 0.00 0.00 174.94 173.78 2aiv s GLU 40 N 0.36 1.26 -0.17 2.79 2.02 -1.04 -0.06 118.70 123.86 2aiv s GLU 40 Ca -0.19 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 2aiv s GLU 40 Cb -0.18 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 2aiv s GLU 40 CO 0.09 0.04 -0.04 -0.06 0.02 0.00 0.00 175.26 175.30 2aiv s PHE 41 N 0.54 2.99 -0.75 1.61 0.08 -0.99 -1.99 117.98 119.48 2aiv s PHE 41 Ca -0.10 -0.45 0.09 0.00 0.12 0.00 0.00 56.93 56.59 2aiv s PHE 41 Cb -0.13 -1.99 0.26 0.00 -0.57 0.00 0.00 43.02 40.59 2aiv s PHE 41 CO 0.02 -0.17 1.21 -0.11 -0.10 0.00 0.00 175.22 176.08 2aiv n LEU 42 N 3.84 2.78 -4.90 -0.37 7.94 -1.26 -3.38 117.00 121.65 2aiv n LEU 42 Ca -0.17 -2.02 -0.29 0.00 -1.11 0.00 0.00 56.01 52.41 2aiv n LEU 42 Cb 0.52 -0.20 0.10 0.00 0.53 0.00 0.00 43.42 44.38 2aiv n LEU 42 CO 0.32 0.69 0.80 -1.61 -1.11 0.00 0.00 177.39 176.47 2aiv s GLU 43 N -1.04 1.75 -1.11 1.96 0.41 -1.26 -4.84 118.70 114.57 2aiv s GLU 43 Ca 0.20 0.06 -0.06 0.00 -0.41 0.00 0.00 54.97 54.75 2aiv s GLU 43 Cb 0.10 -1.93 0.29 0.00 -1.78 0.00 0.00 34.13 30.81 2aiv s GLU 43 CO 0.13 -1.74 1.38 -0.35 -0.49 0.00 0.00 175.26 174.19 2aiv n PRO 44 N -3.40 4.09 -2.10 0.39 -0.04 -1.26 -3.52 135.00 129.16 2aiv n PRO 44 Ca 0.09 -4.46 -0.29 0.00 -0.04 0.00 0.00 63.50 58.81 2aiv n PRO 44 Cb 0.61 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 2aiv n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aiv s VAL 45 N -2.01 3.54 -0.80 0.52 1.01 -0.76 -4.55 120.40 117.35 2aiv s VAL 45 Ca 0.32 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2aiv s VAL 45 Cb -0.00 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2aiv s VAL 45 CO 0.04 -1.05 2.04 -1.81 0.00 0.00 0.00 175.10 174.31 2aiv s ASP 46 N 7.03 4.90 -0.03 3.32 1.01 -0.01 -4.17 116.67 128.72 2aiv s ASP 46 Ca 0.68 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.70 2aiv s ASP 46 Cb -0.03 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 2aiv s ASP 46 CO 0.06 -2.88 -0.03 -0.07 0.21 0.00 0.00 175.17 172.46 2aiv h LEU 47 N 18.51 0.00 -0.97 1.23 3.38 -1.78 -3.45 115.31 132.24 2aiv h LEU 47 Ca -0.02 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 2aiv h LEU 47 Cb 1.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2aiv h LEU 47 CO 1.17 0.14 -0.75 0.00 0.09 0.00 0.00 178.44 179.09 2aiv n ALA 48 N -2.44 -1.28 0.00 1.53 0.00 -1.26 -4.58 120.51 112.48 2aiv n ALA 48 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2aiv n ALA 48 Cb 0.04 -4.57 0.00 0.00 0.00 0.00 0.00 19.45 14.92 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 -1.71 -0.30 3.56 0.00 0.00 -1.26 -5.09 105.19 100.39 2aiv n GLY 49 Ca 0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2aiv n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aiv s ILE 50 N 0.00 3.41 -0.10 -0.61 -0.00 -1.26 -4.85 121.20 117.80 2aiv s ILE 50 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2aiv s ILE 50 Cb 0.00 -3.95 0.00 0.00 -0.00 0.00 0.00 42.46 38.51 2aiv s ILE 50 CO 0.00 -0.90 0.44 -2.65 -0.00 0.00 0.00 174.94 171.84 2aiv n PRO 51 N 8.90 0.47 -0.34 0.37 -0.02 -1.26 -4.03 135.00 139.08 2aiv n PRO 51 Ca 0.38 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 2aiv n PRO 51 Cb 0.47 -1.26 0.13 0.00 -0.02 0.00 0.00 33.50 32.83 2aiv n PRO 51 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 2aiv h LEU 52 N 1.44 1.10 -1.57 2.45 8.10 -1.94 -2.35 115.31 122.53 2aiv h LEU 52 Ca 0.00 -0.04 0.26 0.00 0.11 0.00 0.00 57.88 58.21 2aiv h LEU 52 Cb 0.44 -0.27 -0.07 0.00 -0.44 0.00 0.00 40.66 40.32 2aiv h LEU 52 CO 0.00 0.80 0.67 0.71 -4.11 0.00 0.00 178.44 176.52 2aiv h THR 53 N 1.29 0.55 -0.05 0.15 1.35 -1.96 0.06 112.91 114.30 2aiv h THR 53 Ca 0.35 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2aiv h THR 53 Cb -0.13 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 66.52 2aiv h THR 53 CO -0.07 0.05 0.03 -1.28 -0.25 0.00 0.00 175.52 174.00 2aiv h SER 54 N 0.30 0.05 -0.40 5.36 0.87 -1.76 -2.96 113.55 115.01 2aiv h SER 54 Ca 0.54 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.93 2aiv h SER 54 Cb 1.55 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2aiv h SER 54 CO -0.19 0.05 -0.36 0.17 -0.53 0.00 0.00 176.83 175.97 2aiv h LEU 55 N 0.05 1.01 0.00 2.23 8.10 -1.18 -3.47 115.31 122.05 2aiv h LEU 55 Ca 0.02 -0.46 0.00 0.00 0.11 0.00 0.00 57.88 57.55 2aiv h LEU 55 Cb 0.01 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 39.94 2aiv h LEU 55 CO -0.00 1.26 0.00 0.61 -4.11 0.00 0.00 178.44 176.19 2aiv n GLY 56 N 0.11 1.46 1.11 0.17 0.00 -0.18 -4.87 105.19 102.98 2aiv n GLY 56 Ca -0.02 0.00 0.12 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 -2.00 1.64 2.48 -0.02 0.00 -1.26 -4.93 105.19 101.11 2aiv n GLY 57 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 2aiv n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2aiv n VAL 58 N 1.36 0.00 -0.88 1.61 0.31 -1.26 -1.68 118.33 117.80 2aiv n VAL 58 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2aiv n VAL 58 Cb 0.57 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2aiv n VAL 58 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2aiv n ILE 59 N -2.27 0.00 -4.14 2.52 5.41 -1.26 -4.92 119.36 114.70 2aiv n ILE 59 Ca -0.19 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.23 2aiv n ILE 59 Cb 0.63 -0.88 -0.16 0.00 -0.71 0.00 0.00 39.64 38.53 2aiv n ILE 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2aiv s ILE 60 N -0.89 2.07 0.00 1.39 -1.16 -0.67 -4.60 121.20 117.34 2aiv s ILE 60 Ca 0.00 -0.94 0.01 0.00 -0.51 0.00 0.00 60.65 59.21 2aiv s ILE 60 Cb 0.00 -1.86 -0.00 0.00 0.61 0.00 0.00 42.46 41.20 2aiv s ILE 60 CO 0.00 0.54 -0.03 -0.89 -2.81 0.00 0.00 174.94 171.75 2aiv s THR 61 N 1.27 0.21 -0.11 4.00 2.01 -1.20 -4.97 115.64 116.86 2aiv s THR 61 Ca 0.05 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2aiv s THR 61 Cb -0.13 -0.20 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2aiv s THR 61 CO -0.12 -0.00 -0.01 0.12 -0.69 0.00 0.00 174.62 173.91 2aiv s PHE 62 N -0.22 0.95 1.03 4.92 2.19 -1.26 -3.11 117.98 122.47 2aiv s PHE 62 Ca -0.01 -0.46 -0.17 0.00 0.33 0.00 0.00 56.93 56.62 2aiv s PHE 62 Cb -0.02 -0.95 0.24 0.00 -1.31 0.00 0.00 43.02 40.98 2aiv s PHE 62 CO -0.00 -0.43 1.20 0.39 1.83 0.00 0.00 175.22 178.20 2aiv n GLU 63 N 5.08 -1.89 -3.52 10.12 -0.58 0.27 -4.97 120.64 125.13 2aiv n GLU 63 Ca -0.09 -1.87 -0.40 0.00 -0.42 0.00 0.00 57.16 54.38 2aiv n GLU 63 Cb 0.49 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 2aiv n GLU 63 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2aiv s PRO 64 N -5.65 3.55 0.00 3.49 0.04 -1.26 -3.80 135.00 131.37 2aiv s PRO 64 Ca 0.71 -3.14 0.00 0.00 0.04 0.00 0.00 61.00 58.61 2aiv s PRO 64 Cb -0.04 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2aiv s PRO 64 CO 0.51 -1.25 0.00 1.63 0.04 0.00 0.00 177.00 177.93 2aiv n LYS 65 N 2.66 0.00 -3.77 4.56 5.02 -1.26 -5.09 118.16 120.27 2aiv n LYS 65 Ca 0.21 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 2aiv n LYS 65 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.28 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 0.00 -0.20 -0.18 2.01 -1.25 -5.06 115.64 108.97 2aiv s THR 66 Ca 0.00 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 2aiv s THR 66 Cb 0.00 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2aiv s THR 66 CO 0.00 -0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.81 2aiv s ILE 68 N 1.31 2.06 0.00 0.00 -1.09 -1.18 -4.94 121.20 117.36 2aiv s ILE 68 Ca 0.04 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 2aiv s ILE 68 Cb -0.14 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 2aiv s ILE 68 CO -0.07 0.54 0.00 -0.38 -1.23 0.00 0.00 174.94 173.80 2aiv n ILE 69 N 4.60 0.00 -0.35 2.92 2.08 -1.26 -3.25 119.36 124.09 2aiv n ILE 69 Ca -0.21 0.01 -0.03 0.00 0.56 0.00 0.00 62.75 63.08 2aiv n ILE 69 Cb 0.50 -0.52 0.09 0.00 -0.75 0.00 0.00 39.64 38.97 2aiv n ILE 69 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 2aiv h TYR 70 N 0.00 1.19 -3.37 1.39 5.03 -1.96 -3.41 116.97 115.84 2aiv h TYR 70 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2aiv h TYR 70 Cb 0.00 -0.40 0.00 0.00 1.55 0.00 0.00 36.73 37.88 2aiv h TYR 70 CO 0.00 0.77 -0.70 0.00 -1.32 0.00 0.00 178.16 176.91 2aiv n ALA 71 N -2.37 -2.30 -3.58 1.82 0.00 -1.26 -4.69 120.51 108.12 2aiv n ALA 71 Ca 0.10 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.66 2aiv n ALA 71 Cb 0.03 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 1.22 -6.01 -4.55 0.00 5.03 -1.26 -4.87 115.26 104.82 2aiv n ASN 72 Ca 0.00 -0.55 -0.35 0.00 0.87 0.00 0.00 54.58 54.55 2aiv n ASN 72 Cb 0.00 -5.04 -0.03 0.00 -1.02 0.00 0.00 39.78 33.69 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 -7.22 3.32 -0.48 3.41 1.02 -1.26 -4.83 118.68 112.63 2aiv s LEU 73 Ca 0.54 0.66 0.03 0.00 0.02 0.00 0.00 54.13 55.37 2aiv s LEU 73 Cb -0.24 -2.52 0.57 0.00 0.02 0.00 0.00 46.19 44.02 2aiv s LEU 73 CO 0.73 -2.75 1.84 -0.81 0.02 0.00 0.00 176.35 175.38 2aiv n PRO 74 N 9.06 2.39 -0.90 1.29 -0.04 -1.26 -4.88 135.00 140.67 2aiv n PRO 74 Ca 0.31 -3.19 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 2aiv n PRO 74 Cb 0.53 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 -1.05 -4.86 -0.05 3.54 3.02 -1.26 -4.84 115.26 109.75 2aiv n ASN 75 Ca 0.56 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 55.03 2aiv n ASN 75 Cb 1.23 -3.27 -0.02 0.00 -0.61 0.00 0.00 39.78 37.12 2aiv n ASN 75 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2aiv h ARG 76 N 0.00 -0.23 0.00 3.52 -0.00 -1.94 -3.38 114.38 112.35 2aiv h ARG 76 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2aiv h ARG 76 Cb 0.81 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.83 2aiv h ARG 76 CO 0.00 -0.15 0.00 -0.35 0.00 0.00 0.00 179.97 179.47 2aiv n PRO 77 N -5.38 0.00 -3.68 0.04 -0.04 -1.26 -5.02 135.00 119.67 2aiv n PRO 77 Ca -0.01 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 2aiv n PRO 77 Cb 0.29 -0.48 0.04 0.00 -0.04 0.00 0.00 33.50 33.32 2aiv n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2aiv n LYS 78 N -1.85 -1.37 -2.53 0.54 4.81 -1.26 -4.89 118.16 111.60 2aiv n LYS 78 Ca 0.00 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.48 2aiv n LYS 78 Cb 0.00 -4.20 -0.02 0.00 0.02 0.00 0.00 35.03 30.83 2aiv n LYS 78 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2aiv s ARG 79 N -5.95 4.25 0.15 1.64 6.06 -1.26 -4.93 118.95 118.91 2aiv s ARG 79 Ca 0.46 1.52 -0.10 0.00 -2.50 0.00 0.00 55.73 55.10 2aiv s ARG 79 Cb -0.16 -3.71 -0.01 0.00 0.06 0.00 0.00 34.95 31.13 2aiv s ARG 79 CO 0.86 -0.67 1.52 0.78 -2.50 0.00 0.00 175.30 175.29 2aiv h GLY 80 N 9.59 1.07 -5.15 8.12 0.00 -1.93 -3.41 103.07 111.36 2aiv h GLY 80 Ca -0.23 -1.00 -0.69 0.00 0.00 0.00 0.00 47.33 45.42 2aiv h GLY 80 CO 0.97 0.91 -0.88 1.85 0.00 0.00 0.00 176.54 179.39 2aiv s GLU 81 N -4.58 2.80 0.00 4.80 2.56 -1.26 -4.76 118.70 118.26 2aiv s GLU 81 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 54.97 53.96 2aiv s GLU 81 Cb 0.12 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 34.02 2aiv s GLU 81 CO 0.88 0.28 0.00 0.41 -0.56 0.00 0.00 175.26 176.27 2aiv n GLY 82 N 3.23 3.57 3.48 -1.50 0.00 -1.26 -5.05 105.19 107.66 2aiv n GLY 82 Ca -0.18 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2aiv n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiv s ILE 83 N 0.00 5.27 -0.21 -0.61 1.01 -1.26 -1.95 121.20 123.44 2aiv s ILE 83 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 2aiv s ILE 83 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2aiv s ILE 83 CO 0.00 -0.21 -0.00 0.20 0.00 0.00 0.00 174.94 174.92 2aiv s ASN 84 N 1.69 4.70 -0.44 3.58 0.02 -1.26 -4.97 114.94 118.27 2aiv s ASN 84 Ca 0.05 -0.26 0.04 0.00 -1.02 0.00 0.00 52.86 51.67 2aiv s ASN 84 Cb -0.18 -1.81 0.56 0.00 0.02 0.00 0.00 41.25 39.84 2aiv s ASN 84 CO 0.10 0.02 1.76 1.33 0.02 0.00 0.00 177.10 180.34 2aiv n VAL 85 N 4.51 3.06 -1.63 1.60 0.24 -1.26 -4.64 118.33 120.21 2aiv n VAL 85 Ca -0.17 -2.53 -0.40 0.00 -2.04 0.00 0.00 64.34 59.20 2aiv n VAL 85 Cb 0.51 -0.61 -0.01 0.00 -1.47 0.00 0.00 33.84 32.26 2aiv n VAL 85 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2aiv n ARG 86 N -1.07 3.59 -4.38 7.34 1.74 -1.26 -3.90 116.66 118.72 2aiv n ARG 86 Ca 0.52 -2.64 -0.20 0.00 -0.77 0.00 0.00 57.85 54.76 2aiv n ARG 86 Cb 1.24 -2.93 -0.10 0.00 -1.02 0.00 0.00 32.46 29.66 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 1.78 2.24 -0.27 7.54 0.00 -1.26 -4.13 121.76 127.67 2aiv s ALA 87 Ca 0.58 -1.73 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 2aiv s ALA 87 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2aiv s ALA 87 CO -0.07 0.13 0.16 1.03 0.00 0.00 0.00 175.76 177.01 2aiv s ARG 88 N -3.60 3.87 -0.18 0.00 0.52 -0.84 -3.98 118.95 114.75 2aiv s ARG 88 Ca 0.25 -0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 55.02 2aiv s ARG 88 Cb -0.02 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2aiv s ARG 88 CO 0.09 -0.17 0.06 0.96 0.02 0.00 0.00 175.30 176.26 2aiv s ILE 89 N 1.70 4.75 -0.23 1.52 -4.36 -0.92 -2.49 121.20 121.17 2aiv s ILE 89 Ca 0.07 -0.05 -0.05 0.00 -0.26 0.00 0.00 60.65 60.35 2aiv s ILE 89 Cb -0.16 -3.14 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 2aiv s ILE 89 CO 0.09 0.46 0.01 -0.89 0.24 0.00 0.00 174.94 174.85 2aiv s THR 90 N 0.36 3.86 0.08 8.37 2.01 0.13 -3.26 115.64 127.19 2aiv s THR 90 Ca 0.03 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2aiv s THR 90 Cb -0.12 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2aiv s THR 90 CO 0.00 0.39 -0.15 0.00 -0.69 0.00 0.00 174.62 174.17 2aiv s PHE 92 N -1.26 3.48 -0.19 0.00 -0.71 -1.21 -1.96 117.98 116.12 2aiv s PHE 92 Ca -0.01 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 2aiv s PHE 92 Cb -0.10 -1.79 0.02 0.00 -1.21 0.00 0.00 43.02 39.93 2aiv s PHE 92 CO 0.03 0.62 -0.17 -0.80 -1.34 0.00 0.00 175.22 173.55 2aiv s ASN 93 N -2.00 3.34 0.00 1.98 0.02 -1.06 -4.82 114.94 112.39 2aiv s ASN 93 Ca 0.28 -0.61 0.00 0.00 -1.02 0.00 0.00 52.86 51.51 2aiv s ASN 93 Cb -0.13 -1.53 0.00 0.00 0.02 0.00 0.00 41.25 39.62 2aiv s ASN 93 CO 0.19 -0.00 0.73 0.00 0.02 0.00 0.00 177.10 178.04 2aiv n TYR 95 N -1.34 -1.87 -1.37 0.00 4.01 -1.26 -4.91 117.16 110.43 2aiv n TYR 95 Ca 0.00 0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.92 2aiv n TYR 95 Cb 0.00 -3.38 0.14 0.00 -0.31 0.00 0.00 39.34 35.79 2aiv n TYR 95 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2aiv n PRO 96 N -4.25 2.42 0.00 -0.72 -0.04 -1.26 -4.46 135.00 126.69 2aiv n PRO 96 Ca -0.09 -3.23 0.00 0.00 -0.04 0.00 0.00 63.50 60.14 2aiv n PRO 96 Cb 0.59 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2aiv n PRO 96 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2aiv n VAL 97 N -1.04 0.00 -2.07 0.52 0.31 -1.26 -4.96 118.33 109.83 2aiv n VAL 97 Ca 0.55 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.46 2aiv n VAL 97 Cb 1.18 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 34.08 2aiv n VAL 97 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2aiv s ASP 98 N -0.99 6.72 0.00 4.52 -4.77 -1.26 -1.15 116.67 119.74 2aiv s ASP 98 Ca 0.00 2.52 0.00 0.00 -3.30 0.00 0.00 52.55 51.77 2aiv s ASP 98 Cb 0.00 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 2aiv s ASP 98 CO 0.00 -0.69 0.00 1.17 0.70 0.00 0.00 175.17 176.35 2aiv n LYS 99 N 3.26 0.00 -0.02 2.11 4.81 -1.26 -4.61 118.16 122.44 2aiv n LYS 99 Ca 0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 2aiv n LYS 99 Cb 0.41 -0.96 -0.10 0.00 0.02 0.00 0.00 35.03 34.39 2aiv n LYS 99 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2aiv h SER 100 N 0.00 -0.00 0.00 3.14 0.02 -1.89 -3.38 113.55 111.44 2aiv h SER 100 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2aiv h SER 100 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2aiv h SER 100 CO 0.00 0.58 0.00 0.35 -1.14 0.00 0.00 176.83 176.62 2aiv n THR 101 N -4.81 0.00 -3.18 -2.27 -2.24 -0.30 -5.06 114.28 96.42 2aiv n THR 101 Ca -0.09 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 2aiv n THR 101 Cb 0.29 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.51 -1.52 0.00 -0.78 1.74 -0.96 -4.96 116.66 109.67 2aiv n ARG 102 Ca 0.00 1.45 0.00 0.00 -0.77 0.00 0.00 57.85 58.53 2aiv n ARG 102 Cb 0.02 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.45 2aiv n ARG 102 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2aiv n LYS 103 N -1.67 0.00 -4.56 5.56 4.76 -1.25 -4.93 118.16 116.06 2aiv n LYS 103 Ca -0.04 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 2aiv n LYS 103 Cb 0.54 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.67 2aiv n LYS 103 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2aiv n PRO 104 N 0.00 0.78 -3.08 1.97 -0.04 -1.26 -4.78 135.00 128.58 2aiv n PRO 104 Ca 0.00 -3.63 -0.01 0.00 -0.04 0.00 0.00 63.50 59.82 2aiv n PRO 104 Cb 0.00 0.91 0.00 0.00 -0.04 0.00 0.00 33.50 34.37 2aiv n PRO 104 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2aiv n ILE 105 N -1.30 -4.58 0.80 0.52 -0.00 -1.26 -4.76 119.36 108.78 2aiv n ILE 105 Ca -0.19 0.83 -0.00 0.00 -0.00 0.00 0.00 62.75 63.39 2aiv n ILE 105 Cb 0.63 -4.01 0.00 0.00 -0.00 0.00 0.00 39.64 36.27 2aiv n ILE 105 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2aiv n LYS 106 N 1.11 1.01 -4.20 0.38 5.02 -1.26 -4.77 118.16 115.45 2aiv n LYS 106 Ca -0.00 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 2aiv n LYS 106 Cb 0.38 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 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 1.12 1.12 0.52 4.39 1.01 -1.26 -5.16 116.67 118.40 2aiv s ASP 107 Ca 0.00 -1.58 0.03 0.00 0.71 0.00 0.00 52.55 51.71 2aiv s ASP 107 Cb 0.00 0.56 0.03 0.00 1.01 0.00 0.00 42.92 44.52 2aiv s ASP 107 CO 0.00 -1.10 0.22 -0.81 0.21 0.00 0.00 175.17 173.70 2aiv n PRO 108 N -0.54 0.74 -1.19 8.23 -0.04 -1.26 -3.87 135.00 137.07 2aiv n PRO 108 Ca 0.04 -3.47 -0.07 0.00 -0.04 0.00 0.00 63.50 59.96 2aiv n PRO 108 Cb 0.63 0.63 -0.03 0.00 -0.04 0.00 0.00 33.50 34.68 2aiv n PRO 108 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aiv n ASN 109 N -1.60 -5.77 0.00 3.54 5.15 -1.26 -4.36 115.26 110.96 2aiv n ASN 109 Ca -0.10 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2aiv n ASN 109 Cb 0.62 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 2aiv n ASN 109 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2aiv n HIS 110 N -2.15 0.00 -0.36 1.20 8.25 -1.26 -4.89 115.22 116.01 2aiv n HIS 110 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 2aiv n HIS 110 Cb 0.55 0.02 0.10 0.00 1.12 0.00 0.00 29.99 31.77 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 0.00 1.28 -1.60 -0.41 4.15 -1.76 -3.34 115.11 113.43 2aiv h GLN 111 Ca 0.00 -0.10 -0.49 0.00 0.77 0.00 0.00 58.65 58.83 2aiv h GLN 111 Cb 0.15 -0.28 -0.34 0.00 0.21 0.00 0.00 27.48 27.23 2aiv h GLN 111 CO 0.00 0.87 -0.98 -0.11 -1.93 0.00 0.00 178.83 176.69 2aiv n LEU 112 N -4.38 -0.50 -0.14 -2.39 7.94 -1.26 -4.94 117.00 111.34 2aiv n LEU 112 Ca 0.11 -4.39 0.01 0.00 -1.11 0.00 0.00 56.01 50.63 2aiv n LEU 112 Cb 0.04 0.68 0.29 0.00 0.53 0.00 0.00 43.42 44.95 2aiv n LEU 112 CO 0.37 2.05 1.18 1.62 -1.11 0.00 0.00 177.39 181.50 2aiv h VAL 113 N 2.30 1.18 -0.35 1.96 3.04 -1.91 -1.75 116.25 120.72 2aiv h VAL 113 Ca 0.03 -0.39 0.03 0.00 -1.01 0.00 0.00 66.70 65.36 2aiv h VAL 113 Cb 0.91 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2aiv h VAL 113 CO 0.43 0.18 0.23 0.11 -1.01 0.00 0.00 177.57 177.51 2aiv h LYS 114 N 0.85 0.36 -0.37 4.17 1.57 -1.93 0.31 116.57 121.53 2aiv h LYS 114 Ca 0.22 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2aiv h LYS 114 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2aiv h LYS 114 CO -0.04 0.24 -0.36 0.00 -0.57 0.00 0.00 179.45 178.72 2aiv h ARG 115 N 0.37 0.89 -0.27 3.15 2.47 -1.74 -2.70 114.38 116.55 2aiv h ARG 115 Ca 0.14 -0.47 -0.18 0.00 -1.26 0.00 0.00 59.98 58.22 2aiv h ARG 115 Cb 0.11 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2aiv h ARG 115 CO -0.03 1.12 -0.54 0.45 0.56 0.00 0.00 179.97 181.53 2aiv h HIS 116 N 0.70 1.02 -0.76 3.04 3.86 -1.09 -3.21 115.15 118.71 2aiv h HIS 116 Ca 0.06 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2aiv h HIS 116 Cb 0.95 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 2aiv h HIS 116 CO 0.07 1.17 0.38 0.97 0.86 0.00 0.00 177.93 181.37 2aiv h ILE 117 N 0.63 1.24 -0.92 2.45 6.09 -0.41 -2.44 117.51 124.14 2aiv h ILE 117 Ca 0.02 -0.65 -0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2aiv h ILE 117 Cb 1.13 0.25 -0.04 0.00 0.47 0.00 0.00 36.82 38.62 2aiv h ILE 117 CO 0.12 0.28 0.56 -0.33 -3.07 0.00 0.00 178.15 175.70 2aiv h GLU 118 N 1.08 1.25 -0.75 2.19 5.08 -1.48 -1.68 114.58 120.26 2aiv h GLU 118 Ca 0.26 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2aiv h GLU 118 Cb 0.09 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2aiv h GLU 118 CO -0.04 0.87 0.38 0.00 -1.00 0.00 0.00 179.01 179.22 2aiv h ARG 119 N 1.27 1.06 -0.95 2.33 2.47 -1.48 -2.47 114.38 116.61 2aiv h ARG 119 Ca 0.33 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2aiv h ARG 119 Cb -0.06 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.01 2aiv h ARG 119 CO -0.06 0.81 0.60 -0.07 0.56 0.00 0.00 179.97 181.80 2aiv h LEU 120 N 1.06 1.12 -0.85 3.04 3.38 -0.93 -1.48 115.31 120.65 2aiv h LEU 120 Ca 0.26 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2aiv h LEU 120 Cb 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2aiv h LEU 120 CO -0.04 0.84 0.56 0.11 0.09 0.00 0.00 178.44 180.00 2aiv h LYS 121 N 1.30 1.09 -0.57 1.13 1.57 -1.02 -2.03 116.57 118.04 2aiv h LYS 121 Ca 0.34 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2aiv h LYS 121 Cb -0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 2aiv h LYS 121 CO -0.07 0.72 -0.06 0.87 -0.57 0.00 0.00 179.45 180.34 2aiv h LYS 122 N 1.12 1.06 -5.89 3.15 1.79 -1.34 -3.40 116.57 113.06 2aiv h LYS 122 Ca 0.32 -0.37 -0.48 0.00 -2.18 0.00 0.00 60.65 57.95 2aiv h LYS 122 Cb -0.08 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 2aiv h LYS 122 CO -0.08 1.07 1.36 -0.80 -1.08 0.00 0.00 179.45 179.91 2aiv s ASN 123 N -6.62 5.09 -0.10 0.86 -0.87 -0.61 -4.84 114.94 107.85 2aiv s ASN 123 Ca -0.12 0.41 0.01 0.00 -1.57 0.00 0.00 52.86 51.60 2aiv s ASN 123 Cb 0.13 -2.53 0.15 0.00 -0.02 0.00 0.00 41.25 38.99 2aiv s ASN 123 CO 0.86 -2.51 1.19 -0.81 -2.57 0.00 0.00 177.10 173.26 2aiv n PRO 124 N 9.14 1.30 -0.03 -0.60 -0.05 -1.26 -3.41 135.00 140.08 2aiv n PRO 124 Ca 0.25 -0.68 0.04 0.00 -0.05 0.00 0.00 63.50 63.06 2aiv n PRO 124 Cb 0.52 -1.28 -0.14 0.00 -0.05 0.00 0.00 33.50 32.55 2aiv n PRO 124 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2aiv n ASN 125 N 0.13 0.68 -4.62 3.54 3.02 -1.26 -4.98 115.26 111.77 2aiv n ASN 125 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 2aiv n ASN 125 Cb 0.75 1.60 -0.08 0.00 -0.61 0.00 0.00 39.78 41.44 2aiv n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2aiv s SER 126 N -4.45 4.45 -0.28 6.41 0.01 -1.22 -4.71 113.70 113.90 2aiv s SER 126 Ca -0.07 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 2aiv s SER 126 Cb 0.10 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 2aiv s SER 126 CO 0.77 0.03 0.20 -0.54 0.41 0.00 0.00 173.24 174.10 2aiv s LYS 127 N -3.45 3.94 -0.17 12.44 1.02 -1.13 -5.02 119.74 127.38 2aiv s LYS 127 Ca 0.30 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.78 2aiv s LYS 127 Cb -0.07 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2aiv s LYS 127 CO 0.19 -0.19 0.55 0.12 -0.92 0.00 0.00 175.35 175.10 2aiv s PHE 128 N 1.77 3.42 0.00 3.18 2.19 -1.26 -1.34 117.98 125.94 2aiv s PHE 128 Ca 0.07 0.88 0.00 0.00 0.33 0.00 0.00 56.93 58.21 2aiv s PHE 128 Cb -0.16 -2.69 0.00 0.00 -1.31 0.00 0.00 43.02 38.86 2aiv s PHE 128 CO 0.11 -0.04 0.00 0.39 1.83 0.00 0.00 175.22 177.51 2aiv n GLU 129 N 4.50 0.00 -3.63 10.12 -0.58 -0.90 -4.95 120.64 125.20 2aiv n GLU 129 Ca -0.04 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 2aiv n GLU 129 Cb 0.51 -0.39 -0.07 0.00 -0.57 0.00 0.00 31.44 30.92 2aiv n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2aiv s SER 130 N -1.68 -0.48 -0.13 1.62 1.04 -0.90 -5.02 113.70 108.15 2aiv s SER 130 Ca 0.00 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.34 2aiv s SER 130 Cb 0.00 0.88 0.01 0.00 0.10 0.00 0.00 66.02 67.00 2aiv s SER 130 CO 0.00 -0.20 -0.22 -0.47 0.98 0.00 0.00 173.24 173.33 2aiv s TYR 131 N 0.05 2.65 -0.31 5.02 5.04 -1.26 -1.90 117.35 126.64 2aiv s TYR 131 Ca 0.02 -1.28 -0.03 0.00 -2.44 0.00 0.00 57.07 53.34 2aiv s TYR 131 Cb -0.04 -1.79 0.05 0.00 0.35 0.00 0.00 41.96 40.52 2aiv s TYR 131 CO -0.04 -0.57 0.04 0.34 -1.34 0.00 0.00 175.55 173.98 2aiv s ASP 132 N 0.71 5.03 0.15 4.32 3.68 -0.59 -4.98 116.67 124.99 2aiv s ASP 132 Ca -0.10 -1.24 -0.10 0.00 2.13 0.00 0.00 52.55 53.25 2aiv s ASP 132 Cb -0.16 -1.76 -0.03 0.00 -1.45 0.00 0.00 42.92 39.52 2aiv s ASP 132 CO 0.01 -0.28 1.47 0.00 0.13 0.00 0.00 175.17 176.49 2aiv h ALA 133 N 8.07 0.57 -0.92 3.66 0.00 -1.93 0.86 119.26 129.58 2aiv h ALA 133 Ca -0.22 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2aiv h ALA 133 Cb 1.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2aiv h ALA 133 CO 0.56 0.68 0.53 -0.44 0.00 0.00 0.00 179.25 180.58 2aiv h ASP 134 N 0.71 1.12 0.00 0.00 3.32 -1.97 -3.07 116.42 116.53 2aiv h ASP 134 Ca 0.05 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2aiv h ASP 134 Cb 1.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2aiv h ASP 134 CO 0.10 0.88 -1.79 -1.20 -1.72 0.00 0.00 179.24 175.51 2aiv n SER 135 N -4.35 0.26 0.00 6.45 7.64 -1.22 -4.97 113.62 117.43 2aiv n SER 135 Ca 0.10 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2aiv n SER 135 Cb 0.08 1.80 0.00 0.00 -1.01 0.00 0.00 64.21 65.07 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 1.32 0.91 3.71 0.23 0.00 0.30 -4.50 105.19 107.16 2aiv n GLY 136 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.72 3.79 -0.09 2.61 2.01 -1.10 -2.57 115.64 116.56 2aiv s THR 137 Ca 0.00 1.28 0.04 0.00 0.31 0.00 0.00 61.69 63.32 2aiv s THR 137 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2aiv s THR 137 CO 0.00 0.10 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.35 2aiv s TYR 138 N 1.08 2.28 -0.07 4.92 5.04 -0.83 -1.54 117.35 128.23 2aiv s TYR 138 Ca 0.61 -0.92 0.03 0.00 -2.44 0.00 0.00 57.07 54.34 2aiv s TYR 138 Cb -0.32 -1.55 0.01 0.00 0.35 0.00 0.00 41.96 40.45 2aiv s TYR 138 CO 0.29 -0.39 -0.15 0.54 -1.34 0.00 0.00 175.55 174.51 2aiv s VAL 139 N 0.43 1.32 0.18 3.14 0.11 -0.80 -2.67 120.40 122.10 2aiv s VAL 139 Ca -0.18 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.13 2aiv s VAL 139 Cb -0.17 -1.18 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2aiv s VAL 139 CO 0.08 0.40 0.46 0.72 -3.33 0.00 0.00 175.10 173.42 2aiv s PHE 140 N 0.59 -0.05 -0.18 1.54 -0.71 -1.20 -2.11 117.98 115.86 2aiv s PHE 140 Ca -0.15 -0.29 0.01 0.00 -1.04 0.00 0.00 56.93 55.45 2aiv s PHE 140 Cb -0.16 0.29 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2aiv s PHE 140 CO 0.05 -0.85 -0.19 0.42 -1.34 0.00 0.00 175.22 173.31 2aiv s ILE 141 N -3.88 2.14 -1.48 -4.49 1.01 -0.45 -2.16 121.20 111.89 2aiv s ILE 141 Ca 0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2aiv s ILE 141 Cb 0.00 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2aiv s ILE 141 CO -0.04 0.52 2.40 0.52 0.00 0.00 0.00 174.94 178.34 2aiv n VAL 142 N 4.63 3.85 -1.85 2.92 0.31 -1.26 -2.85 118.33 124.08 2aiv n VAL 142 Ca -0.21 -3.09 -0.42 0.00 -0.01 0.00 0.00 64.34 60.62 2aiv n VAL 142 Cb 0.50 -2.57 -0.03 0.00 -0.91 0.00 0.00 33.84 30.84 2aiv n VAL 142 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2aiv s ASN 143 N 2.57 6.49 -0.01 4.52 4.22 -1.25 -4.58 114.94 126.90 2aiv s ASN 143 Ca 0.53 2.75 0.21 0.00 -2.14 0.00 0.00 52.86 54.21 2aiv s ASN 143 Cb 0.15 -2.60 -0.25 0.00 1.28 0.00 0.00 41.25 39.83 2aiv s ASN 143 CO -0.07 -0.88 0.78 1.57 -2.04 0.00 0.00 177.10 176.46 2aiv n HIS 144 N 3.63 0.01 -0.36 1.54 -0.00 -1.26 -4.37 115.22 114.40 2aiv n HIS 144 Ca 0.13 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.30 2aiv n HIS 144 Cb 0.37 -0.16 0.12 0.00 -0.12 0.00 0.00 29.99 30.21 2aiv n HIS 144 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aiv h ALA 145 N 2.69 1.30 -2.34 1.57 0.00 -1.95 -3.44 119.26 117.10 2aiv h ALA 145 Ca 0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.33 2aiv h ALA 145 Cb 0.65 -0.40 0.10 0.00 0.00 0.00 0.00 17.79 18.14 2aiv h ALA 145 CO 0.00 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.27 2aiv s ALA 146 N -6.08 2.66 -1.24 0.00 0.00 -1.26 -4.07 121.76 111.77 2aiv s ALA 146 Ca -0.13 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2aiv s ALA 146 Cb 0.18 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2aiv s ALA 146 CO 0.82 -1.25 1.05 0.39 0.00 0.00 0.00 175.76 176.77 2aiv n GLU 147 N -3.15 -7.03 0.00 0.00 -0.58 -1.26 -4.88 120.64 103.74 2aiv n GLU 147 Ca 0.08 0.82 0.16 0.00 -0.42 0.00 0.00 57.16 57.80 2aiv n GLU 147 Cb 0.54 -5.80 0.93 0.00 -0.57 0.00 0.00 31.44 26.54 2aiv n GLU 147 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2aiv n GLN 148 N -4.41 1.02 -0.51 3.49 1.13 -1.26 -5.16 117.38 111.68 2aiv n GLN 148 Ca -0.16 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 2aiv n GLN 148 Cb 0.62 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.47 2aiv n GLN 148 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03