#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsq s ILE 3 N 0.00 3.33 0.34 2.28 1.01 -1.26 -4.68 121.20 122.23 1vsq s ILE 3 Ca 0.00 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 1vsq s ILE 3 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1vsq s ILE 3 CO 0.00 0.21 0.99 0.00 0.00 0.00 0.00 174.94 176.14 1vsq s ALA 4 N -0.30 3.19 -0.07 9.38 0.00 -0.68 -4.96 121.76 128.32 1vsq s ALA 4 Ca 0.52 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1vsq s ALA 4 Cb -0.35 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1vsq s ALA 4 CO 0.40 0.02 -0.16 0.42 0.00 0.00 0.00 175.76 176.45 1vsq s ILE 5 N -1.58 1.40 -0.09 0.00 1.01 -1.14 -1.09 121.20 119.71 1vsq s ILE 5 Ca 0.52 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1vsq s ILE 5 Cb -0.21 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1vsq s ILE 5 CO 0.27 0.41 -0.18 -0.69 0.00 0.00 0.00 174.94 174.75 1vsq s VAL 6 N 0.56 1.60 -0.14 2.92 1.01 -0.55 -0.89 120.40 124.91 1vsq s VAL 6 Ca -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1vsq s VAL 6 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1vsq s VAL 6 CO 0.05 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.94 1vsq s ILE 7 N 0.57 3.89 -0.01 2.22 1.01 -0.24 -0.74 121.20 127.90 1vsq s ILE 7 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1vsq s ILE 7 Cb -0.17 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1vsq s ILE 7 CO 0.05 0.51 0.01 -0.83 0.00 0.00 0.00 174.94 174.68 1vsq s GLY 8 N 0.15 0.06 0.00 6.18 0.00 -0.72 -1.66 107.32 111.32 1vsq s GLY 8 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1vsq s GLY 8 CO 0.03 0.28 0.00 -0.37 0.00 0.00 0.00 173.10 173.04 1vsq n THR 9 N 3.54 0.00 -0.07 0.90 5.66 -1.26 -2.61 114.28 120.44 1vsq n THR 9 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1vsq n THR 9 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1vsq n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vsq n GLY 11 N 0.00 1.22 1.37 1.09 0.00 -0.26 -3.61 105.19 105.01 1vsq n GLY 11 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1vsq n GLY 11 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vsq n TRP 12 N 13.58 0.41 0.14 1.61 8.01 -1.26 -2.45 117.44 137.48 1vsq n TRP 12 Ca 0.00 -1.22 0.01 0.00 -1.31 0.00 0.00 57.50 54.98 1vsq n TRP 12 Cb 0.00 -0.21 0.15 0.00 -2.01 0.00 0.00 31.31 29.23 1vsq n TRP 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1vsq h ALA 13 N 1.30 0.80 -0.53 6.99 0.00 -1.92 -3.35 119.26 122.55 1vsq h ALA 13 Ca -0.08 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.40 1vsq h ALA 13 Cb 1.46 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1vsq h ALA 13 CO 0.14 0.70 0.18 0.00 0.00 0.00 0.00 179.25 180.27 1vsq h ALA 14 N 1.44 0.65 -0.97 0.00 0.00 -1.88 -0.73 119.26 117.76 1vsq h ALA 14 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vsq h ALA 14 Cb 1.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1vsq h ALA 14 CO 0.07 -0.22 0.64 1.49 0.00 0.00 0.00 179.25 181.24 1vsq h GLU 15 N 0.35 1.27 -0.19 0.00 4.81 -1.87 -2.14 114.58 116.81 1vsq h GLU 15 Ca 0.26 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1vsq h GLU 15 Cb 0.29 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1vsq h GLU 15 CO -0.27 0.84 -0.48 1.96 -0.73 0.00 0.00 179.01 180.33 1vsq h GLN 16 N 1.30 0.48 -0.75 1.92 1.08 -1.54 -1.28 115.11 116.32 1vsq h GLN 16 Ca 0.36 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1vsq h GLN 16 Cb -0.13 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1vsq h GLN 16 CO -0.08 0.86 0.23 -0.07 -0.95 0.00 0.00 178.83 178.82 1vsq h LEU 17 N 0.39 1.10 -0.45 1.46 3.38 -0.81 0.16 115.31 120.54 1vsq h LEU 17 Ca 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1vsq h LEU 17 Cb 0.98 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1vsq h LEU 17 CO 0.09 1.02 0.08 0.25 0.09 0.00 0.00 178.44 179.96 1vsq h LEU 18 N 1.12 0.71 -0.99 1.67 5.85 -1.25 -1.64 115.31 120.79 1vsq h LEU 18 Ca 0.24 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1vsq h LEU 18 Cb 0.31 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1vsq h LEU 18 CO -0.01 0.79 0.45 0.11 -0.34 0.00 0.00 178.44 179.44 1vsq h LYS 19 N 0.60 1.17 -0.18 1.25 1.57 -0.83 0.41 116.57 120.56 1vsq h LYS 19 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1vsq h LYS 19 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1vsq h LYS 19 CO 0.01 0.86 0.06 1.15 -0.57 0.00 0.00 179.45 180.95 1vsq h THR 20 N 1.17 1.18 -0.59 -0.16 2.02 -0.87 -0.78 112.91 114.89 1vsq h THR 20 Ca 0.29 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1vsq h THR 20 Cb 0.03 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1vsq h THR 20 CO -0.05 0.18 0.33 0.00 0.37 0.00 0.00 175.52 176.35 1vsq h ALA 21 N 0.88 0.77 0.00 6.16 0.00 -0.42 -1.49 119.26 125.15 1vsq h ALA 21 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1vsq h ALA 21 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vsq h ALA 21 CO -0.00 0.03 -0.13 0.93 0.00 0.00 0.00 179.25 180.07 1vsq h GLU 22 N 0.64 0.00 -0.07 0.00 5.08 -0.74 0.32 114.58 119.81 1vsq h GLU 22 Ca 0.25 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1vsq h GLU 22 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1vsq h GLU 22 CO -0.14 0.13 -0.51 1.98 -1.00 0.00 0.00 179.01 179.47 1vsq h MET 23 N 0.00 0.19 0.17 2.33 4.05 -0.10 0.20 114.93 121.76 1vsq h MET 23 Ca -0.00 -0.11 -0.34 0.00 -0.28 0.00 0.00 59.70 58.98 1vsq h MET 23 Cb 0.50 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1vsq h MET 23 CO 0.02 0.66 -1.66 -0.07 0.23 0.00 0.00 176.91 176.08 1vsq h LEU 24 N 0.15 0.55 0.00 3.39 3.38 -0.71 -3.40 115.31 118.66 1vsq h LEU 24 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1vsq h LEU 24 Cb 0.95 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1vsq h LEU 24 CO 0.08 1.66 -0.72 0.18 0.09 0.00 0.00 178.44 179.72 1vsq n LEU 25 N -3.55 0.41 0.00 1.67 4.77 0.99 -5.12 117.00 116.17 1vsq n LEU 25 Ca -0.21 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1vsq n LEU 25 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1vsq n LEU 25 CO 0.52 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1vsq n GLY 26 N 1.38 1.37 3.75 -0.72 0.00 0.70 -4.96 105.19 106.71 1vsq n GLY 26 Ca 0.01 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1vsq n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsq n GLU 27 N 1.57 2.56 -4.14 1.61 1.02 -1.26 -4.34 120.64 117.66 1vsq n GLU 27 Ca 0.00 0.90 -0.32 0.00 -0.02 0.00 0.00 57.16 57.72 1vsq n GLU 27 Cb 0.00 -2.61 -0.07 0.00 -0.02 0.00 0.00 31.44 28.74 1vsq n GLU 27 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vsq s GLN 28 N -1.73 2.91 0.21 3.49 -1.52 -1.26 -5.09 119.66 116.67 1vsq s GLN 28 Ca 0.56 -0.60 0.06 0.00 -1.95 0.00 0.00 55.36 53.43 1vsq s GLN 28 Cb -0.50 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 29.50 1vsq s GLN 28 CO 0.60 0.61 0.15 -1.21 -0.25 0.00 0.00 175.29 175.19 1vsq s GLU 29 N -1.90 2.85 -1.36 2.91 2.02 -1.26 -4.66 118.70 117.30 1vsq s GLU 29 Ca 0.24 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 1vsq s GLU 29 Cb -0.12 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1vsq s GLU 29 CO 0.15 0.44 1.14 -1.71 0.02 0.00 0.00 175.26 175.31 1vsq n ASN 30 N -0.72 -5.71 -4.01 -0.19 5.15 -1.26 -4.97 115.26 103.54 1vsq n ASN 30 Ca -0.08 -0.58 -0.22 0.00 -0.60 0.00 0.00 54.58 53.11 1vsq n ASN 30 Cb 0.56 -4.92 -0.16 0.00 -0.53 0.00 0.00 39.78 34.73 1vsq n ASN 30 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1vsq s VAL 31 N -3.33 0.90 0.31 3.44 1.01 -1.26 -2.88 120.40 118.59 1vsq s VAL 31 Ca 0.53 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1vsq s VAL 31 Cb -0.24 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1vsq s VAL 31 CO 0.74 0.28 0.00 -0.83 0.00 0.00 0.00 175.10 175.30 1vsq s GLY 32 N 0.29 1.99 0.10 4.51 0.00 -0.07 -5.01 107.32 109.13 1vsq s GLY 32 Ca -0.05 -2.00 -0.20 0.00 0.00 0.00 0.00 44.72 42.46 1vsq s GLY 32 CO 0.01 -1.84 0.50 0.66 0.00 0.00 0.00 173.10 172.42 1vsq s TRP 33 N -3.14 -0.37 0.08 1.90 1.48 -1.26 -1.08 118.94 116.56 1vsq s TRP 33 Ca 0.33 0.23 0.01 0.00 -1.06 0.00 0.00 56.10 55.62 1vsq s TRP 33 Cb 0.07 0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 32.70 1vsq s TRP 33 CO 0.14 -0.71 -0.06 0.96 -4.06 0.00 0.00 176.95 173.22 1vsq s ILE 34 N -3.21 0.57 0.31 0.66 -4.36 -0.66 -4.92 121.20 109.58 1vsq s ILE 34 Ca -0.01 -1.83 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1vsq s ILE 34 Cb 0.00 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 1vsq s ILE 34 CO -0.08 -0.86 0.04 1.51 0.24 0.00 0.00 174.94 175.79 1vsq s ASP 35 N -2.89 4.48 -0.11 4.36 1.47 -1.26 -4.03 116.67 118.69 1vsq s ASP 35 Ca 0.09 -0.78 -0.02 0.00 1.18 0.00 0.00 52.55 53.02 1vsq s ASP 35 Cb 0.05 -0.72 0.04 0.00 -0.34 0.00 0.00 42.92 41.94 1vsq s ASP 35 CO -0.06 -0.15 -0.00 0.12 0.68 0.00 0.00 175.17 175.76 1vsq s PHE 36 N -2.41 0.91 0.01 2.11 2.19 -1.03 -4.96 117.98 114.81 1vsq s PHE 36 Ca 0.34 -0.45 0.02 0.00 0.33 0.00 0.00 56.93 57.18 1vsq s PHE 36 Cb -0.04 -0.94 -0.04 0.00 -1.31 0.00 0.00 43.02 40.70 1vsq s PHE 36 CO 0.21 -0.43 -0.00 0.08 1.83 0.00 0.00 175.22 176.90 1vsq s VAL 37 N 1.90 4.11 0.29 3.12 1.01 -1.26 -1.10 120.40 128.47 1vsq s VAL 37 Ca 0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1vsq s VAL 37 Cb -0.14 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 33.27 1vsq s VAL 37 CO -0.06 0.34 1.46 -2.65 0.00 0.00 0.00 175.10 174.19 1vsq n PRO 38 N 1.28 2.34 0.00 2.72 -0.02 -1.26 -1.57 135.00 138.50 1vsq n PRO 38 Ca -0.14 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1vsq n PRO 38 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1vsq n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsq n GLY 39 N 1.82 2.24 3.88 -1.23 0.00 -1.26 -5.08 105.19 105.56 1vsq n GLY 39 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1vsq n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vsq s GLU 40 N -0.22 3.68 0.47 1.61 2.02 -0.61 -5.10 118.70 120.56 1vsq s GLU 40 Ca 0.00 0.51 0.02 0.00 0.02 0.00 0.00 54.97 55.52 1vsq s GLU 40 Cb 0.00 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 1vsq s GLU 40 CO 0.00 -0.24 0.07 0.54 0.02 0.00 0.00 175.26 175.65 1vsq s ASN 41 N -3.70 3.53 0.38 -0.19 4.22 -1.26 -4.97 114.94 112.95 1vsq s ASN 41 Ca 0.52 -1.71 0.06 0.00 -2.14 0.00 0.00 52.86 49.59 1vsq s ASN 41 Cb -0.10 0.61 0.78 0.00 1.28 0.00 0.00 41.25 43.81 1vsq s ASN 41 CO 0.41 -0.94 2.01 0.00 -2.04 0.00 0.00 177.10 176.55 1vsq h ALA 42 N 1.52 1.69 -0.45 3.54 0.00 -1.99 -2.34 119.26 121.23 1vsq h ALA 42 Ca -0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1vsq h ALA 42 Cb 1.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1vsq h ALA 42 CO 0.64 0.25 0.01 0.93 0.00 0.00 0.00 179.25 181.08 1vsq h GLU 43 N 0.68 0.74 -0.18 0.00 5.08 -1.97 0.14 114.58 119.05 1vsq h GLU 43 Ca 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1vsq h GLU 43 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1vsq h GLU 43 CO -0.06 0.74 0.06 1.15 -1.00 0.00 0.00 179.01 179.90 1vsq h THR 44 N 0.69 1.18 -0.63 1.13 2.02 -1.84 -2.57 112.91 112.90 1vsq h THR 44 Ca 0.14 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1vsq h THR 44 Cb 0.42 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1vsq h THR 44 CO 0.02 0.18 0.25 -0.07 0.37 0.00 0.00 175.52 176.26 1vsq h LEU 45 N 0.13 0.84 -0.71 2.58 3.38 -0.92 -1.58 115.31 119.02 1vsq h LEU 45 Ca 0.06 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1vsq h LEU 45 Cb 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1vsq h LEU 45 CO -0.00 0.75 0.45 0.40 0.09 0.00 0.00 178.44 180.13 1vsq h ILE 46 N 0.90 1.09 -0.61 1.22 2.04 -0.51 0.94 117.51 122.58 1vsq h ILE 46 Ca 0.21 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1vsq h ILE 46 Cb 0.18 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1vsq h ILE 46 CO -0.02 0.16 0.28 -0.33 0.00 0.00 0.00 178.15 178.24 1vsq h GLU 47 N 0.87 0.89 -0.52 2.37 4.39 -1.02 -0.11 114.58 121.46 1vsq h GLU 47 Ca 0.29 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1vsq h GLU 47 Cb 0.02 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1vsq h GLU 47 CO -0.11 0.73 0.28 0.87 -1.16 0.00 0.00 179.01 179.62 1vsq h LYS 48 N 0.85 0.72 -0.41 2.33 1.57 -0.61 -0.66 116.57 120.35 1vsq h LYS 48 Ca 0.21 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1vsq h LYS 48 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1vsq h LYS 48 CO -0.02 0.56 0.24 1.88 -0.57 0.00 0.00 179.45 181.54 1vsq h TYR 49 N 0.69 0.55 -1.00 -1.35 0.05 -0.48 -2.29 116.97 113.14 1vsq h TYR 49 Ca 0.18 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.97 1vsq h TYR 49 Cb 0.05 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 1vsq h TYR 49 CO -0.02 0.39 0.65 -0.91 -1.05 0.00 0.00 178.16 177.23 1vsq h ASN 50 N 0.54 1.15 -0.31 3.88 2.35 -0.66 0.42 115.58 122.96 1vsq h ASN 50 Ca 0.15 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1vsq h ASN 50 Cb 0.01 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1vsq h ASN 50 CO -0.03 0.84 -0.00 0.00 -1.65 0.00 0.00 177.43 176.60 1vsq h ALA 51 N 1.36 1.24 -0.23 -0.83 0.00 -1.00 -1.27 119.26 118.53 1vsq h ALA 51 Ca 0.36 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1vsq h ALA 51 Cb -0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1vsq h ALA 51 CO -0.08 0.51 -0.27 1.96 0.00 0.00 0.00 179.25 181.36 1vsq h GLN 52 N 0.61 0.60 -0.81 0.00 1.08 -0.72 -3.23 115.11 112.65 1vsq h GLN 52 Ca 0.13 -0.33 0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1vsq h GLN 52 Cb 0.39 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1vsq h GLN 52 CO 0.01 0.93 0.53 -0.07 -0.95 0.00 0.00 178.83 179.29 1vsq h LEU 53 N 0.30 0.91 -2.05 1.46 3.38 -0.57 -1.74 115.31 116.99 1vsq h LEU 53 Ca 0.03 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1vsq h LEU 53 Cb 0.84 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1vsq h LEU 53 CO 0.07 0.65 0.36 0.00 0.09 0.00 0.00 178.44 179.61 1vsq h ALA 54 N 1.50 2.08 -0.01 1.53 0.00 -1.25 0.14 119.26 123.25 1vsq h ALA 54 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1vsq h ALA 54 Cb -0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1vsq h ALA 54 CO -0.07 -0.55 -0.37 1.63 0.00 0.00 0.00 179.25 179.89 1vsq n LYS 55 N -3.84 1.07 -4.10 0.00 5.02 -0.66 -4.96 118.16 110.68 1vsq n LYS 55 Ca 0.06 -0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 55.32 1vsq n LYS 55 Cb 0.53 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1vsq n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vsq s LEU 56 N -2.47 3.80 -0.49 -0.35 1.43 0.48 -5.01 118.68 116.06 1vsq s LEU 56 Ca 0.22 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 1vsq s LEU 56 Cb 0.19 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1vsq s LEU 56 CO 0.54 0.01 0.78 -0.62 0.23 0.00 0.00 176.35 177.30 1vsq s ASP 57 N -3.48 6.34 -0.11 2.29 -1.08 -1.26 -4.88 116.67 114.49 1vsq s ASP 57 Ca 0.32 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.14 1vsq s ASP 57 Cb -0.09 -2.37 0.54 0.00 -1.46 0.00 0.00 42.92 39.54 1vsq s ASP 57 CO 0.24 -0.98 1.46 0.35 0.52 0.00 0.00 175.17 176.76 1vsq n THR 58 N 6.02 1.79 0.01 1.71 -2.24 -1.26 -3.90 114.28 116.42 1vsq n THR 58 Ca -0.00 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 1vsq n THR 58 Cb 0.47 0.09 0.30 0.00 -2.10 0.00 0.00 70.33 69.09 1vsq n THR 58 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1vsq h THR 59 N 2.72 1.20 -0.00 4.28 1.35 -1.89 -2.54 112.91 118.03 1vsq h THR 59 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1vsq h THR 59 Cb 1.27 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1vsq h THR 59 CO 0.18 0.27 -0.55 0.29 -0.25 0.00 0.00 175.52 175.45 1vsq n LYS 60 N -4.28 0.11 0.00 4.72 5.02 -1.26 -5.06 118.16 117.41 1vsq n LYS 60 Ca 0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1vsq n LYS 60 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1vsq n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsq n GLY 61 N 1.48 2.51 2.78 0.72 0.00 -0.96 -4.79 105.19 106.93 1vsq n GLY 61 Ca 0.06 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1vsq n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsq s VAL 62 N -1.78 -0.00 -0.26 1.61 1.01 0.52 -1.68 120.40 119.82 1vsq s VAL 62 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1vsq s VAL 62 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1vsq s VAL 62 CO 0.00 0.10 -0.06 -0.22 0.00 0.00 0.00 175.10 174.92 1vsq s LEU 63 N 1.04 3.36 -0.22 3.92 2.96 -0.25 -1.57 118.68 127.93 1vsq s LEU 63 Ca -0.09 -1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.59 1vsq s LEU 63 Cb -0.13 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1vsq s LEU 63 CO -0.03 -0.17 0.57 -0.36 -1.32 0.00 0.00 176.35 175.05 1vsq s PHE 64 N 1.28 3.33 -0.28 5.38 0.40 -0.02 -1.49 117.98 126.57 1vsq s PHE 64 Ca -0.02 0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 57.05 1vsq s PHE 64 Cb -0.18 -2.75 0.01 0.00 0.51 0.00 0.00 43.02 40.61 1vsq s PHE 64 CO -0.04 -0.21 0.05 -0.51 0.70 0.00 0.00 175.22 175.21 1vsq s LEU 65 N 2.04 3.69 0.32 -0.37 1.43 0.08 -0.96 118.68 124.92 1vsq s LEU 65 Ca 0.25 -0.71 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1vsq s LEU 65 Cb -0.16 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1vsq s LEU 65 CO 0.09 -0.17 -0.13 0.68 0.23 0.00 0.00 176.35 177.06 1vsq s VAL 66 N 1.47 2.33 0.03 -1.59 -7.23 -0.08 -1.76 120.40 113.57 1vsq s VAL 66 Ca 0.02 -2.27 -0.26 0.00 -1.81 0.00 0.00 61.98 57.66 1vsq s VAL 66 Cb -0.17 -2.54 -0.17 0.00 0.56 0.00 0.00 36.38 34.07 1vsq s VAL 66 CO 0.01 -0.27 1.37 -2.24 -0.31 0.00 0.00 175.10 173.67 1vsq h ASP 67 N 2.10 -0.35 -5.01 4.85 2.03 -1.81 -1.49 116.42 116.74 1vsq h ASP 67 Ca -0.41 -0.14 -0.15 0.00 -0.73 0.00 0.00 57.03 55.60 1vsq h ASP 67 Cb 1.25 0.09 -0.20 0.00 -0.83 0.00 0.00 39.33 39.65 1vsq h ASP 67 CO 0.67 -0.06 -0.60 0.42 -1.03 0.00 0.00 179.24 178.65 1vsq s THR 68 N -5.08 0.11 0.23 1.15 -4.23 -1.26 -1.65 115.64 104.91 1vsq s THR 68 Ca -0.15 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 1vsq s THR 68 Cb 0.03 -0.50 -0.10 0.00 1.34 0.00 0.00 72.50 73.27 1vsq s THR 68 CO 0.58 -0.51 1.42 0.86 -0.54 0.00 0.00 174.62 176.43 1vsq s TRP 69 N -1.78 3.08 0.00 3.99 -0.11 -1.26 -3.16 118.94 119.70 1vsq s TRP 69 Ca -0.12 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.24 1vsq s TRP 69 Cb -0.07 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 28.13 1vsq s TRP 69 CO -0.01 -2.53 0.00 0.41 -4.62 0.00 0.00 176.95 170.20 1vsq n GLY 70 N 2.36 2.03 3.90 5.86 0.00 -1.26 -5.05 105.19 113.02 1vsq n GLY 70 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1vsq n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsq s GLY 71 N -1.96 1.70 0.15 -0.02 0.00 -1.19 -4.74 107.32 101.26 1vsq s GLY 71 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 1vsq s GLY 71 CO 0.00 -0.30 1.75 1.76 0.00 0.00 0.00 173.10 176.31 1vsq h SER 72 N -1.49 0.13 -0.90 1.64 0.02 -1.97 0.26 113.55 111.24 1vsq h SER 72 Ca -0.45 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 60.66 1vsq h SER 72 Cb 1.27 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1vsq h SER 72 CO 0.48 0.11 0.52 -0.65 -1.14 0.00 0.00 176.83 176.15 1vsq h PRO 73 N 0.26 0.76 -0.10 3.45 0.11 -1.92 0.18 132.00 134.74 1vsq h PRO 73 Ca 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1vsq h PRO 73 Cb 0.12 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1vsq h PRO 73 CO -0.15 0.50 -0.02 0.35 -0.21 0.00 0.00 178.00 178.47 1vsq h PHE 74 N 0.78 0.20 -0.73 0.65 3.57 -1.58 -2.46 116.94 117.37 1vsq h PHE 74 Ca 0.47 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.93 1vsq h PHE 74 Cb 0.56 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1vsq h PHE 74 CO -0.05 0.49 0.48 -0.91 -2.23 0.00 0.00 178.31 176.09 1vsq h ASN 75 N -0.14 0.85 -0.39 0.41 4.21 0.03 0.07 115.58 120.61 1vsq h ASN 75 Ca 0.02 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 1vsq h ASN 75 Cb 0.42 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1vsq h ASN 75 CO 0.01 0.62 -0.01 0.00 -1.29 0.00 0.00 177.43 176.76 1vsq h ALA 76 N 1.26 0.52 -0.78 -0.83 0.00 -1.01 -2.58 119.26 115.85 1vsq h ALA 76 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vsq h ALA 76 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1vsq h ALA 76 CO -0.06 0.31 0.39 0.00 0.00 0.00 0.00 179.25 179.90 1vsq h ALA 77 N 0.87 1.22 -0.99 0.00 0.00 -1.07 -2.50 119.26 116.80 1vsq h ALA 77 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1vsq h ALA 77 Cb 0.49 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1vsq h ALA 77 CO 0.02 0.61 0.65 0.77 0.00 0.00 0.00 179.25 181.30 1vsq h SER 78 N 1.10 1.09 0.38 0.00 0.02 -0.78 -1.92 113.55 113.44 1vsq h SER 78 Ca 0.27 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1vsq h SER 78 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1vsq h SER 78 CO -0.04 0.74 -0.35 0.03 -1.14 0.00 0.00 176.83 176.08 1vsq h ARG 79 N 1.26 0.00 0.06 3.45 3.08 -1.05 -2.81 114.38 118.37 1vsq h ARG 79 Ca 0.39 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.22 1vsq h ARG 79 Cb -0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vsq h ARG 79 CO -0.12 0.35 -0.92 0.82 -1.07 0.00 0.00 179.97 179.02 1vsq h ILE 80 N 0.00 1.37 0.00 2.04 2.04 -1.21 -3.34 117.51 118.41 1vsq h ILE 80 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1vsq h ILE 80 Cb 0.63 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1vsq h ILE 80 CO 0.05 0.68 -0.01 -0.37 0.00 0.00 0.00 178.15 178.50 1vsq h VAL 81 N 0.07 0.00 -0.47 1.67 -1.51 -1.39 -3.42 116.25 111.20 1vsq h VAL 81 Ca -0.13 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.73 1vsq h VAL 81 Cb 1.63 1.66 -0.07 0.00 -2.13 0.00 0.00 31.29 32.39 1vsq h VAL 81 CO 0.18 0.00 -0.21 1.33 -1.23 0.00 0.00 177.57 177.64 1vsq n VAL 82 N -2.57 -0.27 -2.22 7.19 0.24 -1.06 -1.43 118.33 118.21 1vsq n VAL 82 Ca 0.05 1.10 -0.16 0.00 -2.04 0.00 0.00 64.34 63.29 1vsq n VAL 82 Cb 0.47 -1.43 0.04 0.00 -1.47 0.00 0.00 33.84 31.45 1vsq n VAL 82 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1vsq n ASP 83 N -4.65 3.85 -4.46 -1.34 5.68 -1.26 -5.02 116.55 109.35 1vsq n ASP 83 Ca 0.04 -3.28 -0.33 0.00 -0.50 0.00 0.00 54.79 50.72 1vsq n ASP 83 Cb 0.17 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 39.63 1vsq n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vsq s LYS 84 N -3.58 3.18 0.28 0.11 3.01 -0.51 -5.09 119.74 117.14 1vsq s LYS 84 Ca 0.44 -0.63 -0.28 0.00 -1.01 0.00 0.00 55.97 54.49 1vsq s LYS 84 Cb 0.38 -2.64 -0.09 0.00 -1.01 0.00 0.00 37.83 34.47 1vsq s LYS 84 CO 0.01 0.37 0.98 -2.00 0.51 0.00 0.00 175.35 175.23 1vsq s GLU 85 N -0.05 4.69 -1.41 1.68 2.12 -1.26 -3.59 118.70 120.88 1vsq s GLU 85 Ca -0.01 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 1vsq s GLU 85 Cb -0.14 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1vsq s GLU 85 CO 0.03 0.35 0.38 0.72 -0.54 0.00 0.00 175.26 176.20 1vsq n HIS 86 N 1.09 -1.46 -4.69 5.30 8.25 -1.26 -4.87 115.22 117.57 1vsq n HIS 86 Ca -0.00 0.32 -0.25 0.00 -0.26 0.00 0.00 57.72 57.52 1vsq n HIS 86 Cb 0.47 -3.92 -0.16 0.00 1.12 0.00 0.00 29.99 27.50 1vsq n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1vsq s TYR 87 N -3.04 1.60 0.04 4.41 1.51 -1.24 -0.35 117.35 120.28 1vsq s TYR 87 Ca 0.19 -0.58 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1vsq s TYR 87 Cb -0.08 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1vsq s TYR 87 CO 0.23 -0.27 0.19 -2.00 -1.11 0.00 0.00 175.55 172.59 1vsq s GLU 88 N 0.52 0.68 -0.10 -0.62 2.56 -0.61 -4.93 118.70 116.21 1vsq s GLU 88 Ca -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 54.97 54.24 1vsq s GLU 88 Cb -0.15 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.27 1vsq s GLU 88 CO 0.04 -0.20 -0.21 0.08 -0.56 0.00 0.00 175.26 174.41 1vsq s VAL 89 N -2.53 1.88 -0.16 3.70 1.01 -1.26 -0.84 120.40 122.20 1vsq s VAL 89 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1vsq s VAL 89 Cb -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1vsq s VAL 89 CO -0.04 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 1vsq s ILE 90 N 0.55 1.61 0.60 2.22 1.01 -0.13 -4.98 121.20 122.08 1vsq s ILE 90 Ca -0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 1vsq s ILE 90 Cb -0.17 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1vsq s ILE 90 CO 0.05 0.44 0.94 0.00 0.00 0.00 0.00 174.94 176.36 1vsq s ALA 91 N 1.47 3.21 0.00 9.38 0.00 -1.26 -0.90 121.76 133.66 1vsq s ALA 91 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1vsq s ALA 91 Cb -0.13 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1vsq s ALA 91 CO -0.11 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1vsq n GLY 92 N -2.63 0.47 3.59 0.00 0.00 -0.62 -4.87 105.19 101.12 1vsq n GLY 92 Ca 0.04 -0.92 -0.50 0.00 0.00 0.00 0.00 46.02 44.65 1vsq n GLY 92 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vsq n VAL 93 N -3.30 0.55 -4.16 1.61 3.14 -0.85 -4.98 118.33 110.33 1vsq n VAL 93 Ca 0.00 -0.14 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 1vsq n VAL 93 Cb 0.21 -0.88 -0.09 0.00 -1.06 0.00 0.00 33.84 32.02 1vsq n VAL 93 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vsq s ASN 94 N 0.21 0.12 0.19 6.55 2.20 -1.26 -4.92 114.94 118.04 1vsq s ASN 94 Ca 0.77 -1.30 -0.12 0.00 -0.94 0.00 0.00 52.86 51.27 1vsq s ASN 94 Cb -0.88 0.41 0.12 0.00 -2.00 0.00 0.00 41.25 38.90 1vsq s ASN 94 CO 0.50 -0.88 1.86 0.40 -2.94 0.00 0.00 177.10 176.03 1vsq h ILE 95 N 2.58 1.18 -0.75 0.54 1.08 -1.95 -1.46 117.51 118.72 1vsq h ILE 95 Ca -0.34 -0.34 0.05 0.00 -0.39 0.00 0.00 64.86 63.84 1vsq h ILE 95 Cb 1.25 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 1vsq h ILE 95 CO 0.51 0.17 0.45 -0.65 -0.69 0.00 0.00 178.15 177.94 1vsq h PRO 96 N 0.90 0.82 -0.10 2.37 0.11 -1.93 0.18 132.00 134.35 1vsq h PRO 96 Ca 0.24 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1vsq h PRO 96 Cb -0.09 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.83 1vsq h PRO 96 CO -0.05 0.54 0.05 1.98 -0.21 0.00 0.00 178.00 180.32 1vsq h MET 97 N 0.85 0.14 -0.19 1.05 1.85 -1.69 -1.39 114.93 115.54 1vsq h MET 97 Ca 0.32 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1vsq h MET 97 Cb 0.12 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1vsq h MET 97 CO -0.15 0.17 0.12 1.25 -0.40 0.00 0.00 176.91 177.90 1vsq h LEU 98 N 0.07 0.22 -0.02 3.39 5.85 -0.66 -1.40 115.31 122.76 1vsq h LEU 98 Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1vsq h LEU 98 Cb 0.07 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1vsq h LEU 98 CO -0.01 0.19 0.01 0.58 -0.34 0.00 0.00 178.44 178.87 1vsq h VAL 99 N 0.24 1.06 -0.74 1.05 2.07 -0.92 -0.86 116.25 118.15 1vsq h VAL 99 Ca 0.07 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1vsq h VAL 99 Cb -0.00 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1vsq h VAL 99 CO -0.01 0.05 0.26 -0.33 0.02 0.00 0.00 177.57 177.56 1vsq h GLU 100 N -0.05 1.13 -0.24 1.57 4.39 -1.23 -1.20 114.58 118.95 1vsq h GLU 100 Ca 0.01 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1vsq h GLU 100 Cb 0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1vsq h GLU 100 CO -0.00 0.94 -0.00 1.15 -1.16 0.00 0.00 179.01 179.94 1vsq h THR 101 N 1.08 1.26 -0.57 1.13 2.02 -1.17 -1.26 112.91 115.39 1vsq h THR 101 Ca 0.24 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1vsq h THR 101 Cb 0.26 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1vsq h THR 101 CO -0.01 0.28 0.10 -0.07 0.37 0.00 0.00 175.52 176.18 1vsq h LEU 102 N 0.20 0.86 -0.26 2.58 3.38 -1.07 -1.79 115.31 119.20 1vsq h LEU 102 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1vsq h LEU 102 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vsq h LEU 102 CO 0.01 0.86 0.00 0.24 0.09 0.00 0.00 178.44 179.65 1vsq h MET 103 N 0.86 0.46 -0.20 1.13 2.86 -1.02 -3.17 114.93 115.85 1vsq h MET 103 Ca 0.18 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1vsq h MET 103 Cb 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1vsq h MET 103 CO 0.01 0.62 -0.30 0.00 1.06 0.00 0.00 176.91 178.30 1vsq h ALA 104 N 0.82 1.11 -0.81 6.32 0.00 -1.12 -3.12 119.26 122.47 1vsq h ALA 104 Ca 0.08 -0.36 0.20 0.00 0.00 0.00 0.00 54.91 54.82 1vsq h ALA 104 Cb 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1vsq h ALA 104 CO 0.01 0.56 0.56 -0.09 0.00 0.00 0.00 179.25 180.29 1vsq h ARG 105 N 0.35 0.22 0.00 0.00 2.43 -1.29 -0.45 114.38 115.63 1vsq h ARG 105 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1vsq h ARG 105 Cb 0.71 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1vsq h ARG 105 CO 0.05 0.15 0.00 -0.44 -1.51 0.00 0.00 179.97 178.22 1vsq h ASP 106 N 0.23 0.00 -0.33 -3.80 3.32 -1.64 -2.68 116.42 111.52 1vsq h ASP 106 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1vsq h ASP 106 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1vsq h ASP 106 CO -0.09 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.90 1vsq n ASP 107 N -3.03 3.30 -3.85 6.45 8.00 -0.18 -4.93 116.55 122.32 1vsq n ASP 107 Ca 0.02 -2.41 -0.35 0.00 0.71 0.00 0.00 54.79 52.75 1vsq n ASP 107 Cb 0.38 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1vsq n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1vsq n ASP 108 N 0.39 -4.24 -4.77 -2.24 2.03 -1.01 -4.98 116.55 101.73 1vsq n ASP 108 Ca 0.15 -1.11 -0.29 0.00 0.52 0.00 0.00 54.79 54.06 1vsq n ASP 108 Cb 0.69 -2.80 0.13 0.00 -0.72 0.00 0.00 41.12 38.42 1vsq n ASP 108 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1vsq s PRO 109 N -6.51 1.28 0.72 -0.67 0.04 -1.26 -5.03 135.00 123.57 1vsq s PRO 109 Ca 0.42 0.42 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 1vsq s PRO 109 Cb -0.18 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1vsq s PRO 109 CO 0.90 -2.13 1.08 -1.54 0.04 0.00 0.00 177.00 175.35 1vsq s SER 110 N -3.90 5.23 0.12 6.66 1.04 -1.26 -4.86 113.70 116.73 1vsq s SER 110 Ca 0.63 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 58.20 1vsq s SER 110 Cb -0.15 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1vsq s SER 110 CO 0.54 -1.50 1.68 0.15 0.98 0.00 0.00 173.24 175.09 1vsq h PHE 111 N -0.76 -0.31 -0.81 5.02 3.57 -1.96 -1.30 116.94 120.38 1vsq h PHE 111 Ca -0.45 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1vsq h PHE 111 Cb 1.24 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1vsq h PHE 111 CO 0.54 -0.18 0.53 -0.44 -2.23 0.00 0.00 178.31 176.54 1vsq h ASP 112 N -0.17 0.85 -0.26 0.41 3.32 -1.99 -1.11 116.42 117.47 1vsq h ASP 112 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1vsq h ASP 112 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1vsq h ASP 112 CO -0.18 0.58 0.11 -0.33 -1.72 0.00 0.00 179.24 177.70 1vsq h GLU 113 N 0.98 0.38 -0.30 3.56 5.08 -1.83 -2.02 114.58 120.43 1vsq h GLU 113 Ca 0.33 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1vsq h GLU 113 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1vsq h GLU 113 CO -0.10 0.40 0.08 1.25 -1.00 0.00 0.00 179.01 179.64 1vsq h LEU 114 N 0.28 0.44 -0.30 1.33 5.85 -0.49 -1.39 115.31 121.03 1vsq h LEU 114 Ca 0.09 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1vsq h LEU 114 Cb 0.15 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1vsq h LEU 114 CO -0.01 0.54 0.08 0.58 -0.34 0.00 0.00 178.44 179.29 1vsq h VAL 115 N 0.32 0.88 -0.58 1.05 2.07 -1.23 -0.03 116.25 118.73 1vsq h VAL 115 Ca 0.10 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1vsq h VAL 115 Cb 0.26 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1vsq h VAL 115 CO -0.00 0.04 0.38 0.00 0.02 0.00 0.00 177.57 178.00 1vsq h ALA 116 N 1.21 0.73 -0.61 1.67 0.00 -1.26 -2.51 119.26 118.49 1vsq h ALA 116 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1vsq h ALA 116 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1vsq h ALA 116 CO -0.16 0.16 0.30 1.25 0.00 0.00 0.00 179.25 180.79 1vsq h LEU 117 N 0.77 0.80 -0.49 0.00 5.85 -0.93 -1.51 115.31 119.79 1vsq h LEU 117 Ca 0.21 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1vsq h LEU 117 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1vsq h LEU 117 CO -0.05 0.70 0.32 0.00 -0.34 0.00 0.00 178.44 179.07 1vsq h ALA 118 N 1.13 0.62 -0.24 1.25 0.00 -0.69 -0.19 119.26 121.14 1vsq h ALA 118 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1vsq h ALA 118 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1vsq h ALA 118 CO -0.03 0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.61 1vsq h VAL 119 N 0.67 1.24 -0.37 0.00 2.07 -1.39 -1.48 116.25 116.99 1vsq h VAL 119 Ca 0.18 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1vsq h VAL 119 Cb -0.06 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1vsq h VAL 119 CO -0.04 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 177.86 1vsq h GLU 120 N 0.21 0.56 -0.07 1.57 4.81 -1.10 -2.10 114.58 118.46 1vsq h GLU 120 Ca 0.07 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1vsq h GLU 120 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1vsq h GLU 120 CO 0.01 0.56 -0.57 1.79 -0.73 0.00 0.00 179.01 180.07 1vsq h THR 121 N 0.44 1.38 -0.38 0.32 1.35 -1.07 -0.72 112.91 114.24 1vsq h THR 121 Ca 0.12 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1vsq h THR 121 Cb 0.22 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1vsq h THR 121 CO -0.01 0.56 0.18 1.23 -0.25 0.00 0.00 175.52 177.24 1vsq h GLY 122 N 1.47 0.59 1.01 5.82 0.00 -1.14 -1.02 103.07 109.80 1vsq h GLY 122 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 1vsq h GLY 122 CO 0.09 0.28 -0.54 3.21 0.00 0.00 0.00 176.54 179.58 1vsq h ARG 123 N 0.47 0.68 0.00 4.80 3.08 -1.26 -3.08 114.38 119.07 1vsq h ARG 123 Ca 0.13 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1vsq h ARG 123 Cb 0.12 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1vsq h ARG 123 CO -0.02 1.11 -0.02 1.49 -1.07 0.00 0.00 179.97 181.47 1vsq h GLU 124 N 0.36 0.00 0.00 0.04 4.81 -1.10 -2.63 114.58 116.07 1vsq h GLU 124 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1vsq h GLU 124 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1vsq h GLU 124 CO 0.11 0.02 0.00 0.78 -0.73 0.00 0.00 179.01 179.19 1vsq h GLY 125 N 2.09 0.00 -6.85 1.92 0.00 -1.08 -3.41 103.07 95.73 1vsq h GLY 125 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1vsq h GLY 125 CO 0.00 0.00 0.29 0.14 0.00 0.00 0.00 176.54 176.97 1vsq s VAL 126 N -3.40 4.76 -0.23 4.60 1.01 -0.99 -4.97 120.40 121.18 1vsq s VAL 126 Ca 0.04 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1vsq s VAL 126 Cb 0.09 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1vsq s VAL 126 CO 0.48 -0.49 0.59 -0.54 0.00 0.00 0.00 175.10 175.13 1vsq s LYS 127 N 3.02 0.65 0.10 2.72 1.02 -1.26 -5.05 119.74 120.95 1vsq s LYS 127 Ca 0.28 0.89 -0.08 0.00 0.02 0.00 0.00 55.97 57.08 1vsq s LYS 127 Cb -0.13 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.37 1vsq s LYS 127 CO 0.18 -0.10 0.39 0.00 -0.92 0.00 0.00 175.35 174.90 1vsq s ALA 128 N 0.69 3.75 0.01 5.17 0.00 -1.26 -5.03 121.76 125.08 1vsq s ALA 128 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1vsq s ALA 128 Cb -0.05 -2.22 -0.16 0.00 0.00 0.00 0.00 23.12 20.69 1vsq s ALA 128 CO -0.05 0.60 1.16 1.25 0.00 0.00 0.00 175.76 178.73 1vsq h LEU 129 N 3.43 -0.50 -0.26 0.00 5.85 -2.04 -3.49 115.31 118.30 1vsq h LEU 129 Ca -0.48 -0.10 0.35 0.00 0.84 0.00 0.00 57.88 58.49 1vsq h LEU 129 Cb 1.18 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.25 1vsq h LEU 129 CO 0.68 -0.13 -0.51 0.29 -0.34 0.00 0.00 178.44 178.44 1vsq n LYS 130 N -5.22 -2.62 -2.18 1.25 5.02 -1.26 -4.75 118.16 108.41 1vsq n LYS 130 Ca -0.10 1.76 -0.37 0.00 -2.02 0.00 0.00 58.31 57.58 1vsq n LYS 130 Cb 0.30 -3.19 -0.00 0.00 -0.02 0.00 0.00 35.03 32.12 1vsq n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vsq s ALA 131 N -2.22 2.96 0.03 7.82 0.00 -1.26 -5.03 121.76 124.06 1vsq s ALA 131 Ca 0.00 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1vsq s ALA 131 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1vsq s ALA 131 CO 0.00 -0.77 -0.11 -1.59 0.00 0.00 0.00 175.76 173.28 1vsq s LYS 132 N -2.71 2.33 0.53 0.00 -2.85 -1.26 -5.10 119.74 110.67 1vsq s LYS 132 Ca 0.65 -0.85 -0.22 0.00 -1.00 0.00 0.00 55.97 54.55 1vsq s LYS 132 Cb -0.31 -2.37 -0.05 0.00 -2.06 0.00 0.00 37.83 33.04 1vsq s LYS 132 CO 0.37 0.57 1.27 -1.25 0.10 0.00 0.00 175.35 176.41 1vsq s PRO 133 N -1.52 3.30 0.00 1.78 0.04 -1.26 -5.32 135.00 132.02 1vsq s PRO 133 Ca 0.17 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1vsq s PRO 133 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1vsq s PRO 133 CO 0.07 -0.99 0.27 1.33 0.04 0.00 0.00 177.00 177.72