#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2d h ASP 2 N 0.00 0.00 -0.30 0.00 3.58 -2.00 -3.16 116.42 114.53 1a2d h ASP 2 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a2d h ASP 2 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1a2d h ASP 2 CO 0.00 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.44 1a2d n ALA 3 N -2.12 2.45 0.17 -0.78 0.00 -1.26 -3.69 120.51 115.28 1a2d n ALA 3 Ca 0.03 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.96 1a2d n ALA 3 Cb 0.52 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1a2d n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1a2d n PHE 4 N 0.39 0.00 -1.69 0.00 3.01 -1.19 -5.02 117.46 112.96 1a2d n PHE 4 Ca 0.10 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.12 1a2d n PHE 4 Cb 0.26 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.68 1a2d n PHE 4 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1a2d n VAL 5 N -1.16 0.27 0.00 -4.37 0.31 -1.24 -4.49 118.33 107.65 1a2d n VAL 5 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a2d n VAL 5 Cb 0.07 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1a2d n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a2d n GLY 6 N 4.03 2.64 3.66 2.92 0.00 0.40 -4.96 105.19 113.87 1a2d n GLY 6 Ca 0.18 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1a2d n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2d s THR 7 N -1.89 5.25 -0.02 2.61 2.01 -1.26 -1.48 115.64 120.87 1a2d s THR 7 Ca 0.00 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1a2d s THR 7 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1a2d s THR 7 CO 0.00 0.27 -0.22 0.26 -0.69 0.00 0.00 174.62 174.25 1a2d s TRP 8 N 1.31 1.94 0.09 4.92 0.52 0.78 -0.88 118.94 127.61 1a2d s TRP 8 Ca 0.14 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.92 1a2d s TRP 8 Cb -0.14 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 1a2d s TRP 8 CO 0.07 -0.04 0.12 0.15 0.02 0.00 0.00 176.95 177.27 1a2d s LYS 9 N -0.50 3.00 -0.11 4.98 1.02 -0.01 -1.59 119.74 126.52 1a2d s LYS 9 Ca 0.08 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1a2d s LYS 9 Cb -0.08 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1a2d s LYS 9 CO -0.01 0.56 1.01 -1.17 -0.92 0.00 0.00 175.35 174.82 1a2d s LEU 10 N -2.54 4.24 0.00 3.17 2.96 -1.20 -1.34 118.68 123.97 1a2d s LEU 10 Ca 0.31 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1a2d s LEU 10 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1a2d s LEU 10 CO 0.23 -0.46 0.00 0.52 -1.32 0.00 0.00 176.35 175.32 1a2d n VAL 11 N 4.59 0.00 -3.35 1.68 0.31 -0.14 -4.97 118.33 116.46 1a2d n VAL 11 Ca 0.09 0.24 -0.19 0.00 -0.01 0.00 0.00 64.34 64.47 1a2d n VAL 11 Cb 0.49 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 1a2d n VAL 11 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1a2d s SER 12 N -2.45 5.27 -0.30 4.52 1.04 -1.19 -4.98 113.70 115.60 1a2d s SER 12 Ca 0.00 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.66 1a2d s SER 12 Cb 0.00 -0.56 0.16 0.00 0.10 0.00 0.00 66.02 65.72 1a2d s SER 12 CO 0.00 -0.72 0.90 -0.55 0.98 0.00 0.00 173.24 173.85 1a2d s SER 13 N -4.23 -0.74 -0.01 7.02 0.15 -1.26 -2.55 113.70 112.09 1a2d s SER 13 Ca 0.51 0.97 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1a2d s SER 13 Cb -0.06 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.08 1a2d s SER 13 CO 0.30 -0.14 0.04 -1.83 1.20 0.00 0.00 173.24 172.81 1a2d s GLU 14 N 2.59 0.11 -1.27 5.44 -1.05 -0.15 -4.84 118.70 119.53 1a2d s GLU 14 Ca -0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 1a2d s GLU 14 Cb -0.08 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 1a2d s GLU 14 CO -0.18 -0.02 0.00 -1.71 0.95 0.00 0.00 175.26 174.30 1a2d n ASN 15 N 2.77 -4.36 0.05 0.83 4.05 -1.26 -1.46 115.26 115.88 1a2d n ASN 15 Ca -0.14 0.18 -0.05 0.00 0.45 0.00 0.00 54.58 55.02 1a2d n ASN 15 Cb 0.59 -3.23 -0.03 0.00 1.23 0.00 0.00 39.78 38.34 1a2d n ASN 15 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1a2d h PHE 16 N 0.00 -0.21 -0.74 1.20 3.57 -1.89 -2.99 116.94 115.88 1a2d h PHE 16 Ca -0.28 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.37 1a2d h PHE 16 Cb 1.01 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 1a2d h PHE 16 CO 0.36 -0.04 0.50 0.22 -2.23 0.00 0.00 178.31 177.12 1a2d h ASP 17 N -1.04 0.32 0.26 0.41 1.82 -1.92 0.23 116.42 116.50 1a2d h ASP 17 Ca -0.02 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 1a2d h ASP 17 Cb 0.26 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1a2d h ASP 17 CO 0.04 0.16 -0.47 0.44 -1.61 0.00 0.00 179.24 177.80 1a2d h ASP 18 N 0.34 0.27 -0.23 2.28 5.19 -1.98 -3.06 116.42 119.23 1a2d h ASP 18 Ca 0.36 -0.13 -0.19 0.00 -0.62 0.00 0.00 57.03 56.46 1a2d h ASP 18 Cb 0.92 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1a2d h ASP 18 CO -0.10 0.70 -0.59 0.22 -3.12 0.00 0.00 179.24 176.35 1a2d h TYR 19 N 0.21 1.05 0.27 4.55 3.20 -0.43 -3.32 116.97 122.50 1a2d h TYR 19 Ca 0.01 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1a2d h TYR 19 Cb 0.91 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1a2d h TYR 19 CO 0.02 1.23 -0.30 0.52 -1.64 0.00 0.00 178.16 177.99 1a2d h MET 20 N 0.57 -0.59 -0.12 1.82 2.86 -1.21 -2.43 114.93 115.84 1a2d h MET 20 Ca -0.01 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1a2d h MET 20 Cb 1.21 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 1a2d h MET 20 CO 0.13 -0.39 0.22 1.57 1.06 0.00 0.00 176.91 179.50 1a2d h LYS 21 N -0.61 0.00 0.02 1.72 2.10 -1.65 0.15 116.57 118.30 1a2d h LYS 21 Ca -0.01 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 1a2d h LYS 21 Cb 0.57 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1a2d h LYS 21 CO -0.08 0.00 -1.04 0.93 -2.00 0.00 0.00 179.45 177.26 1a2d h GLU 22 N 0.00 0.56 -0.48 0.07 4.39 -1.53 -3.17 114.58 114.42 1a2d h GLU 22 Ca 0.06 -0.63 -0.10 0.00 0.34 0.00 0.00 59.36 59.03 1a2d h GLU 22 Cb 0.50 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1a2d h GLU 22 CO -0.00 1.24 -0.09 0.28 -1.16 0.00 0.00 179.01 179.28 1a2d h VAL 23 N 0.30 1.26 0.00 3.13 2.07 -0.80 -3.47 116.25 118.74 1a2d h VAL 23 Ca -0.12 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1a2d h VAL 23 Cb 1.69 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1a2d h VAL 23 CO 0.19 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1a2d n GLY 24 N -0.41 1.99 3.73 2.17 0.00 -0.78 -5.12 105.19 106.77 1a2d n GLY 24 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1a2d n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2d s VAL 25 N -2.00 4.34 0.47 1.61 1.01 -1.03 -5.01 120.40 119.79 1a2d s VAL 25 Ca 0.00 2.03 -0.24 0.00 0.00 0.00 0.00 61.98 63.76 1a2d s VAL 25 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1a2d s VAL 25 CO 0.00 0.35 1.36 -0.83 0.00 0.00 0.00 175.10 175.98 1a2d s GLY 26 N -0.25 2.90 0.10 4.51 0.00 -1.26 -4.53 107.32 108.79 1a2d s GLY 26 Ca 0.46 1.35 -0.24 0.00 0.00 0.00 0.00 44.72 46.29 1a2d s GLY 26 CO 0.31 1.92 1.40 -2.75 0.00 0.00 0.00 173.10 173.97 1a2d h PHE 27 N 2.16 -1.26 -0.55 1.90 3.04 -1.99 0.69 116.94 120.93 1a2d h PHE 27 Ca -0.50 0.07 0.14 0.00 3.98 0.00 0.00 57.97 61.65 1a2d h PHE 27 Cb 1.27 0.60 -0.03 0.00 2.56 0.00 0.00 35.95 40.35 1a2d h PHE 27 CO 0.50 -0.34 0.39 0.00 -2.02 0.00 0.00 178.31 176.83 1a2d h ALA 28 N -0.32 2.37 0.05 2.41 0.00 -2.00 -2.25 119.26 119.53 1a2d h ALA 28 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1a2d h ALA 28 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a2d h ALA 28 CO -0.47 -0.53 -0.55 1.15 0.00 0.00 0.00 179.25 178.86 1a2d h THR 29 N 0.10 1.52 -0.55 0.00 2.02 -1.60 -3.18 112.91 111.23 1a2d h THR 29 Ca 0.26 -2.25 0.14 0.00 0.77 0.00 0.00 66.41 65.34 1a2d h THR 29 Cb 0.90 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 70.22 1a2d h THR 29 CO -0.03 0.63 0.39 0.03 0.37 0.00 0.00 175.52 176.91 1a2d h ARG 30 N -0.37 0.09 0.00 6.66 3.08 -0.35 0.49 114.38 123.97 1a2d h ARG 30 Ca -0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1a2d h ARG 30 Cb 1.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1a2d h ARG 30 CO 0.11 0.06 -0.44 0.87 -1.07 0.00 0.00 179.97 179.49 1a2d h LYS 31 N 0.09 0.00 0.02 0.04 1.79 -1.48 -2.04 116.57 114.98 1a2d h LYS 31 Ca 0.26 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.37 1a2d h LYS 31 Cb 0.92 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.51 1a2d h LYS 31 CO -0.02 0.44 -2.23 1.55 -1.08 0.00 0.00 179.45 178.11 1a2d n VAL 32 N -3.46 1.51 0.05 0.50 3.14 0.30 -3.50 118.33 116.88 1a2d n VAL 32 Ca 0.00 -0.74 -0.13 0.00 -2.96 0.00 0.00 64.34 60.51 1a2d n VAL 32 Cb 0.59 -0.99 -0.09 0.00 -1.06 0.00 0.00 33.84 32.29 1a2d n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a2d h ALA 33 N 0.61 -0.16 0.00 1.55 0.00 -0.24 -2.89 119.26 118.14 1a2d h ALA 33 Ca -0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1a2d h ALA 33 Cb 2.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1a2d h ALA 33 CO 0.02 -0.37 -0.01 0.78 0.00 0.00 0.00 179.25 179.67 1a2d h GLY 34 N -0.59 0.00 2.00 0.00 0.00 -1.57 -1.77 103.07 101.14 1a2d h GLY 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1a2d h GLY 34 CO 0.03 0.00 0.00 1.98 0.00 0.00 0.00 176.54 178.55 1a2d h MET 35 N 0.00 0.00 -6.71 4.80 -1.53 -1.56 -3.46 114.93 106.47 1a2d h MET 35 Ca -0.00 0.00 -0.50 0.00 -3.44 0.00 0.00 59.70 55.76 1a2d h MET 35 Cb 0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.39 1a2d h MET 35 CO 0.00 0.00 0.06 0.00 0.14 0.00 0.00 176.91 177.11 1a2d s ALA 36 N -3.19 3.38 -0.71 0.39 0.00 -0.67 -5.05 121.76 115.91 1a2d s ALA 36 Ca 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1a2d s ALA 36 Cb 0.11 -2.68 0.17 0.00 0.00 0.00 0.00 23.12 20.72 1a2d s ALA 36 CO 0.55 0.24 0.51 0.15 0.00 0.00 0.00 175.76 177.21 1a2d s LYS 37 N -3.26 2.55 1.06 0.00 -0.14 -1.26 -4.99 119.74 113.70 1a2d s LYS 37 Ca 0.52 -3.18 -0.15 0.00 -1.36 0.00 0.00 55.97 51.79 1a2d s LYS 37 Cb -0.10 -3.53 0.11 0.00 -1.68 0.00 0.00 37.83 32.63 1a2d s LYS 37 CO 0.23 -1.25 0.35 -2.30 -0.76 0.00 0.00 175.35 171.62 1a2d n PRO 38 N 2.30 -1.26 -3.58 -1.68 -0.02 -1.26 -4.73 135.00 124.77 1a2d n PRO 38 Ca 0.17 -0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 1a2d n PRO 38 Cb 0.35 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 1a2d n PRO 38 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1a2d s ASN 39 N -2.03 2.75 0.03 2.55 -0.87 -1.04 -3.26 114.94 113.07 1a2d s ASN 39 Ca 0.59 -3.20 -0.30 0.00 -1.57 0.00 0.00 52.86 48.38 1a2d s ASN 39 Cb -0.17 -0.85 -0.07 0.00 -0.02 0.00 0.00 41.25 40.13 1a2d s ASN 39 CO 0.66 -0.16 1.62 -0.32 -2.57 0.00 0.00 177.10 176.32 1a2d s MET 40 N -0.29 4.21 -0.28 -0.60 -2.45 -0.62 -2.85 119.30 116.42 1a2d s MET 40 Ca 0.28 2.25 0.02 0.00 -1.25 0.00 0.00 55.69 56.99 1a2d s MET 40 Cb -0.03 -3.69 0.08 0.00 1.25 0.00 0.00 34.83 32.43 1a2d s MET 40 CO -0.15 -0.74 -0.02 0.42 1.05 0.00 0.00 175.02 175.58 1a2d s ILE 41 N 2.94 1.82 -0.16 10.11 1.01 0.22 -0.16 121.20 136.98 1a2d s ILE 41 Ca 0.72 -1.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 1a2d s ILE 41 Cb -0.37 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1a2d s ILE 41 CO 0.31 -0.28 0.14 -0.63 0.00 0.00 0.00 174.94 174.48 1a2d s ILE 42 N 1.21 5.46 -0.09 2.92 1.01 -0.55 -1.08 121.20 130.08 1a2d s ILE 42 Ca -0.00 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 1a2d s ILE 42 Cb -0.19 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1a2d s ILE 42 CO -0.08 0.53 0.43 -0.94 0.00 0.00 0.00 174.94 174.87 1a2d s SER 43 N -0.32 -0.39 0.21 3.58 1.04 -0.44 -0.45 113.70 116.94 1a2d s SER 43 Ca 0.12 0.54 0.09 0.00 0.48 0.00 0.00 55.95 57.18 1a2d s SER 43 Cb -0.12 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1a2d s SER 43 CO 0.01 -0.35 -0.06 -0.69 0.98 0.00 0.00 173.24 173.13 1a2d s VAL 44 N -0.63 3.29 -0.40 5.02 1.01 -1.26 -0.35 120.40 127.08 1a2d s VAL 44 Ca -0.07 -1.75 0.06 0.00 0.00 0.00 0.00 61.98 60.22 1a2d s VAL 44 Cb -0.03 -2.67 0.17 0.00 0.00 0.00 0.00 36.38 33.84 1a2d s VAL 44 CO 0.04 -0.20 0.52 0.21 0.00 0.00 0.00 175.10 175.66 1a2d s ASN 45 N -3.13 -0.27 1.45 3.32 3.04 0.43 -4.98 114.94 114.79 1a2d s ASN 45 Ca 0.27 -1.26 0.00 0.00 0.04 0.00 0.00 52.86 51.91 1a2d s ASN 45 Cb -0.08 1.28 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 1a2d s ASN 45 CO 0.17 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 174.64 1a2d n GLY 46 N 4.20 2.66 0.29 1.21 0.00 -1.26 -1.82 105.19 110.46 1a2d n GLY 46 Ca 0.12 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1a2d n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a2d n ASP 47 N 7.86 0.96 -4.71 1.61 5.75 -1.26 -4.86 116.55 121.90 1a2d n ASP 47 Ca 0.00 -1.14 -0.36 0.00 -0.01 0.00 0.00 54.79 53.28 1a2d n ASP 47 Cb 0.00 0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 1a2d n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1a2d s LEU 48 N -2.16 4.19 -0.22 -2.12 1.43 -0.76 -4.41 118.68 114.63 1a2d s LEU 48 Ca 0.36 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1a2d s LEU 48 Cb 0.21 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1a2d s LEU 48 CO 0.40 0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 176.32 1a2d s VAL 49 N 0.64 3.05 -0.15 -1.59 1.01 0.31 -0.43 120.40 123.24 1a2d s VAL 49 Ca 0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1a2d s VAL 49 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1a2d s VAL 49 CO 0.02 0.40 0.02 -0.89 0.00 0.00 0.00 175.10 174.65 1a2d s THR 50 N 1.42 4.45 -0.45 3.92 2.01 0.53 -1.39 115.64 126.12 1a2d s THR 50 Ca 0.05 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1a2d s THR 50 Cb -0.14 -2.96 0.13 0.00 0.01 0.00 0.00 72.50 69.54 1a2d s THR 50 CO -0.05 0.51 0.23 -0.63 -0.69 0.00 0.00 174.62 173.98 1a2d s ILE 51 N 0.04 1.79 -0.25 1.82 1.01 -0.21 -1.32 121.20 124.09 1a2d s ILE 51 Ca 0.03 -2.72 -0.17 0.00 0.00 0.00 0.00 60.65 57.79 1a2d s ILE 51 Cb -0.13 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1a2d s ILE 51 CO 0.02 -0.84 0.49 -0.60 0.00 0.00 0.00 174.94 174.01 1a2d s ARG 52 N 0.25 4.09 -0.48 2.79 6.06 -0.25 -2.34 118.95 129.08 1a2d s ARG 52 Ca 0.17 0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 53.68 1a2d s ARG 52 Cb -0.24 -3.63 0.13 0.00 0.06 0.00 0.00 34.95 31.27 1a2d s ARG 52 CO -0.02 -0.28 0.26 0.45 -2.50 0.00 0.00 175.30 173.21 1a2d s SER 53 N 1.45 5.05 -0.76 -2.12 0.15 -0.55 0.71 113.70 117.62 1a2d s SER 53 Ca 0.21 -2.43 -0.20 0.00 0.70 0.00 0.00 55.95 54.22 1a2d s SER 53 Cb -0.16 -1.78 0.10 0.00 -1.71 0.00 0.00 66.02 62.48 1a2d s SER 53 CO 0.09 -0.42 0.99 -1.61 1.20 0.00 0.00 173.24 173.48 1a2d s GLU 54 N 0.55 3.30 0.41 5.44 2.02 -1.13 -3.08 118.70 126.21 1a2d s GLU 54 Ca 0.12 -1.31 0.08 0.00 0.02 0.00 0.00 54.97 53.88 1a2d s GLU 54 Cb -0.22 -4.51 -0.03 0.00 0.10 0.00 0.00 34.13 29.46 1a2d s GLU 54 CO -0.04 -1.75 0.30 -1.54 0.02 0.00 0.00 175.26 172.26 1a2d s SER 55 N 3.63 4.83 0.17 -0.19 1.04 -0.92 -2.51 113.70 119.76 1a2d s SER 55 Ca 0.25 -0.86 0.24 0.00 0.48 0.00 0.00 55.95 56.06 1a2d s SER 55 Cb -0.13 -0.55 0.91 0.00 0.10 0.00 0.00 66.02 66.35 1a2d s SER 55 CO 0.01 -0.60 1.74 0.35 0.98 0.00 0.00 173.24 175.72 1a2d n THR 56 N -1.43 0.63 0.00 2.02 -2.24 -1.26 -3.97 114.28 108.03 1a2d n THR 56 Ca 0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1a2d n THR 56 Cb 0.63 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1a2d n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1a2d n PHE 57 N -2.06 0.00 -4.60 4.78 7.35 -1.26 -5.05 117.46 116.61 1a2d n PHE 57 Ca 0.04 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.45 1a2d n PHE 57 Cb 0.32 -0.27 -0.08 0.00 0.35 0.00 0.00 39.48 39.80 1a2d n PHE 57 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1a2d s LYS 58 N -0.68 2.06 -0.43 -4.13 2.47 -1.25 -5.08 119.74 112.70 1a2d s LYS 58 Ca 0.00 -2.29 0.04 0.00 -1.56 0.00 0.00 55.97 52.15 1a2d s LYS 58 Cb 0.00 -0.85 0.17 0.00 -1.46 0.00 0.00 37.83 35.69 1a2d s LYS 58 CO 0.00 -0.50 0.33 -0.80 0.16 0.00 0.00 175.35 174.55 1a2d s ASN 59 N -3.71 1.89 0.49 1.43 0.01 -1.26 -2.17 114.94 111.62 1a2d s ASN 59 Ca 0.16 -3.01 -0.01 0.00 -0.71 0.00 0.00 52.86 49.29 1a2d s ASN 59 Cb 0.01 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1a2d s ASN 59 CO 0.11 -0.18 0.74 0.28 -1.51 0.00 0.00 177.10 176.53 1a2d s THR 60 N 0.08 3.81 -0.28 1.60 -1.32 -1.18 -4.96 115.64 113.39 1a2d s THR 60 Ca 0.30 -0.38 -0.17 0.00 -1.21 0.00 0.00 61.69 60.23 1a2d s THR 60 Cb -0.01 -3.44 0.10 0.00 -1.51 0.00 0.00 72.50 67.65 1a2d s THR 60 CO -0.17 -0.34 0.79 -0.70 -2.21 0.00 0.00 174.62 171.99 1a2d s GLU 61 N -4.68 0.61 -0.10 7.08 2.12 -1.26 -1.48 118.70 120.99 1a2d s GLU 61 Ca 0.50 1.03 -0.01 0.00 0.36 0.00 0.00 54.97 56.85 1a2d s GLU 61 Cb -0.10 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.46 1a2d s GLU 61 CO 0.40 -0.12 -0.05 0.96 -0.54 0.00 0.00 175.26 175.91 1a2d s ILE 62 N 1.42 0.77 -0.14 -3.70 -4.36 -0.99 -4.97 121.20 109.24 1a2d s ILE 62 Ca -0.09 -0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.13 1a2d s ILE 62 Cb -0.05 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1a2d s ILE 62 CO -0.17 0.33 0.04 -0.44 0.24 0.00 0.00 174.94 174.93 1a2d s SER 63 N 1.81 5.46 0.28 4.36 0.01 -1.26 -1.05 113.70 123.32 1a2d s SER 63 Ca 0.05 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.30 1a2d s SER 63 Cb -0.12 -1.78 0.05 0.00 0.21 0.00 0.00 66.02 64.37 1a2d s SER 63 CO -0.07 0.27 0.65 2.22 0.41 0.00 0.00 173.24 176.72 1a2d n PHE 64 N 2.86 -1.94 -4.30 2.43 1.16 -0.49 -4.95 117.46 112.24 1a2d n PHE 64 Ca -0.18 -1.38 -0.24 0.00 -1.87 0.00 0.00 57.45 53.78 1a2d n PHE 64 Cb 0.53 0.69 -0.12 0.00 -1.61 0.00 0.00 39.48 38.97 1a2d n PHE 64 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1a2d s LYS 65 N -2.06 1.16 0.16 3.97 1.02 -1.26 -0.53 119.74 122.20 1a2d s LYS 65 Ca 0.13 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 54.61 1a2d s LYS 65 Cb -0.04 -1.42 -0.09 0.00 -0.52 0.00 0.00 37.83 35.76 1a2d s LYS 65 CO 0.09 0.33 1.40 -0.51 -0.92 0.00 0.00 175.35 175.73 1a2d s LEU 66 N -2.02 4.38 0.00 3.17 1.02 -1.26 -3.60 118.68 120.38 1a2d s LEU 66 Ca 0.08 2.42 0.00 0.00 0.02 0.00 0.00 54.13 56.65 1a2d s LEU 66 Cb -0.09 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.52 1a2d s LEU 66 CO 0.05 -0.65 0.00 0.61 0.02 0.00 0.00 176.35 176.38 1a2d n GLY 67 N 3.09 1.78 3.61 -3.19 0.00 -0.13 -4.96 105.19 105.40 1a2d n GLY 67 Ca 0.10 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1a2d n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2d s VAL 68 N -0.12 3.60 0.58 1.61 1.01 -1.24 -4.83 120.40 121.01 1a2d s VAL 68 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 1a2d s VAL 68 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1a2d s VAL 68 CO 0.00 -0.44 1.22 -1.83 0.00 0.00 0.00 175.10 174.06 1a2d s GLU 69 N 5.27 3.05 0.14 2.72 -1.05 -1.26 -4.59 118.70 122.98 1a2d s GLU 69 Ca 0.75 1.87 -0.05 0.00 -0.15 0.00 0.00 54.97 57.39 1a2d s GLU 69 Cb -0.22 -2.00 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1a2d s GLU 69 CO 0.32 -1.16 0.15 -0.59 0.95 0.00 0.00 175.26 174.94 1a2d s PHE 70 N -1.55 0.61 -0.05 4.83 -0.71 -0.29 -5.01 117.98 115.81 1a2d s PHE 70 Ca 0.76 -1.00 -0.23 0.00 -1.04 0.00 0.00 56.93 55.42 1a2d s PHE 70 Cb -0.31 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 1a2d s PHE 70 CO 0.35 -0.59 0.70 -0.51 -1.34 0.00 0.00 175.22 173.83 1a2d s ASP 71 N -3.00 7.02 -0.03 1.98 1.01 -1.26 -1.63 116.67 120.76 1a2d s ASP 71 Ca 0.19 1.22 0.02 0.00 0.71 0.00 0.00 52.55 54.70 1a2d s ASP 71 Cb 0.06 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1a2d s ASP 71 CO -0.00 -0.09 -0.09 -0.70 0.21 0.00 0.00 175.17 174.49 1a2d s GLU 72 N 0.65 0.97 -0.41 8.23 2.12 -0.50 -4.94 118.70 124.83 1a2d s GLU 72 Ca 0.37 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 1a2d s GLU 72 Cb -0.18 -0.91 0.10 0.00 0.26 0.00 0.00 34.13 33.40 1a2d s GLU 72 CO 0.19 0.11 0.22 -1.50 -0.54 0.00 0.00 175.26 173.73 1a2d s ILE 73 N 0.20 3.63 1.12 -3.70 1.10 -1.26 -1.18 121.20 121.12 1a2d s ILE 73 Ca -0.03 -1.77 -0.12 0.00 -0.51 0.00 0.00 60.65 58.21 1a2d s ILE 73 Cb -0.09 -3.36 0.26 0.00 0.15 0.00 0.00 42.46 39.42 1a2d s ILE 73 CO 0.01 -0.59 1.05 0.42 -2.11 0.00 0.00 174.94 173.72 1a2d s THR 74 N 1.26 2.02 0.27 4.00 -4.23 -0.81 -4.85 115.64 113.29 1a2d s THR 74 Ca 0.05 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 1a2d s THR 74 Cb -0.23 -2.03 0.16 0.00 1.34 0.00 0.00 72.50 71.75 1a2d s THR 74 CO -0.02 -0.01 1.83 0.00 -0.54 0.00 0.00 174.62 175.88 1a2d h ALA 75 N -2.51 1.19 -0.06 3.99 0.00 -1.98 -1.97 119.26 117.91 1a2d h ALA 75 Ca -0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1a2d h ALA 75 Cb 1.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a2d h ALA 75 CO 0.48 0.56 0.02 -0.40 0.00 0.00 0.00 179.25 179.91 1a2d n ASP 76 N -4.28 1.96 -3.22 0.00 5.75 -1.26 -4.89 116.55 110.61 1a2d n ASP 76 Ca 0.05 -2.10 -0.23 0.00 -0.01 0.00 0.00 54.79 52.49 1a2d n ASP 76 Cb 0.21 -0.52 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1a2d n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a2d n ASP 77 N 0.15 -6.54 -3.60 -1.12 8.00 -0.74 -5.03 116.55 107.67 1a2d n ASP 77 Ca 0.03 0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 1a2d n ASP 77 Cb 0.42 -3.07 -0.11 0.00 -0.02 0.00 0.00 41.12 38.35 1a2d n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1a2d s ARG 78 N -2.32 0.26 -0.59 -1.24 3.52 -1.26 -4.95 118.95 112.37 1a2d s ARG 78 Ca 0.28 0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 1a2d s ARG 78 Cb -0.04 -0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1a2d s ARG 78 CO 0.76 -0.35 1.20 0.21 -0.81 0.00 0.00 175.30 176.31 1a2d s LYS 79 N 2.52 3.49 0.29 5.12 2.20 -1.26 -1.92 119.74 130.18 1a2d s LYS 79 Ca 0.02 0.22 0.12 0.00 -0.36 0.00 0.00 55.97 55.97 1a2d s LYS 79 Cb -0.13 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 1a2d s LYS 79 CO -0.12 -1.72 -0.18 0.14 -0.36 0.00 0.00 175.35 173.11 1a2d s VAL 80 N 5.03 2.50 -0.38 4.02 -7.23 -0.32 -4.83 120.40 119.19 1a2d s VAL 80 Ca 0.43 -2.37 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1a2d s VAL 80 Cb -0.07 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.59 1a2d s VAL 80 CO 0.25 -0.38 0.16 -0.54 -0.31 0.00 0.00 175.10 174.28 1a2d s LYS 81 N -3.53 2.39 0.19 4.82 1.02 -0.01 -1.41 119.74 123.21 1a2d s LYS 81 Ca 0.30 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.83 1a2d s LYS 81 Cb -0.04 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1a2d s LYS 81 CO 0.15 -0.87 0.34 -1.12 -0.92 0.00 0.00 175.35 172.93 1a2d s SER 82 N 1.73 6.35 -0.18 2.83 0.01 -0.65 -1.84 113.70 121.95 1a2d s SER 82 Ca 0.02 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.46 1a2d s SER 82 Cb -0.22 -1.94 0.09 0.00 0.21 0.00 0.00 66.02 64.17 1a2d s SER 82 CO -0.00 -0.01 0.33 -0.51 0.41 0.00 0.00 173.24 173.45 1a2d s ILE 83 N -1.85 -0.51 -0.14 1.44 2.07 -0.94 -1.13 121.20 120.13 1a2d s ILE 83 Ca 0.36 0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 59.69 1a2d s ILE 83 Cb -0.11 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1a2d s ILE 83 CO 0.29 0.02 0.02 -0.63 -1.91 0.00 0.00 174.94 172.73 1a2d s ILE 84 N 2.49 4.40 0.17 2.00 1.01 -1.26 -1.74 121.20 128.27 1a2d s ILE 84 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1a2d s ILE 84 Cb -0.13 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1a2d s ILE 84 CO -0.12 0.53 -0.07 0.42 0.00 0.00 0.00 174.94 175.71 1a2d s THR 85 N -0.17 1.07 -1.05 2.92 -4.23 -0.23 -0.96 115.64 113.00 1a2d s THR 85 Ca 0.05 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1a2d s THR 85 Cb -0.12 -2.00 0.31 0.00 1.34 0.00 0.00 72.50 72.03 1a2d s THR 85 CO 0.02 -0.62 1.54 -0.11 -0.54 0.00 0.00 174.62 174.92 1a2d n LEU 86 N -0.25 6.57 -4.61 4.79 0.00 -1.26 -0.43 117.00 121.81 1a2d n LEU 86 Ca -0.09 -5.27 -0.43 0.00 0.00 0.00 0.00 56.01 50.22 1a2d n LEU 86 Cb 0.62 -1.22 -0.03 0.00 0.00 0.00 0.00 43.42 42.79 1a2d n LEU 86 CO 0.33 1.80 0.86 -0.62 0.00 0.00 0.00 177.39 179.77 1a2d s ASP 87 N -1.74 6.72 -1.22 1.96 -1.08 -0.68 -4.31 116.67 116.32 1a2d s ASP 87 Ca 0.33 0.65 -0.15 0.00 -0.52 0.00 0.00 52.55 52.86 1a2d s ASP 87 Cb 0.09 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1a2d s ASP 87 CO 0.04 -0.96 0.69 0.61 0.52 0.00 0.00 175.17 176.08 1a2d n GLY 88 N 4.38 -0.74 3.45 2.66 0.00 -1.26 -2.32 105.19 111.36 1a2d n GLY 88 Ca 0.09 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1a2d n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2d n GLY 89 N -1.77 2.80 3.84 -0.02 0.00 -1.26 -5.00 105.19 103.77 1a2d n GLY 89 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1a2d n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2d s ALA 90 N -0.80 3.61 -0.67 4.61 0.00 -0.98 -4.84 121.76 122.70 1a2d s ALA 90 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 1a2d s ALA 90 Cb 0.00 -1.34 0.09 0.00 0.00 0.00 0.00 23.12 21.87 1a2d s ALA 90 CO 0.00 0.26 0.89 -0.51 0.00 0.00 0.00 175.76 176.39 1a2d s LEU 91 N -3.84 4.85 -0.41 0.00 1.43 -0.87 -1.69 118.68 118.16 1a2d s LEU 91 Ca 0.33 -1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 51.96 1a2d s LEU 91 Cb -0.08 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1a2d s LEU 91 CO 0.25 -1.27 0.45 -0.69 0.23 0.00 0.00 176.35 175.32 1a2d s VAL 92 N 3.37 5.07 -0.26 -1.59 1.01 0.42 -1.33 120.40 127.09 1a2d s VAL 92 Ca 0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1a2d s VAL 92 Cb -0.18 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1a2d s VAL 92 CO 0.06 -0.40 0.10 -1.58 0.00 0.00 0.00 175.10 173.29 1a2d s GLN 93 N 2.19 3.70 -0.22 2.72 0.74 0.75 -1.07 119.66 128.48 1a2d s GLN 93 Ca 0.13 -0.46 -0.07 0.00 0.05 0.00 0.00 55.36 55.02 1a2d s GLN 93 Cb -0.17 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1a2d s GLN 93 CO 0.14 -0.20 0.04 0.08 -0.55 0.00 0.00 175.29 174.80 1a2d s VAL 94 N 1.65 4.31 -0.29 1.34 1.01 -0.71 -0.19 120.40 127.51 1a2d s VAL 94 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1a2d s VAL 94 Cb -0.15 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1a2d s VAL 94 CO 0.05 0.40 0.07 -1.10 0.00 0.00 0.00 175.10 174.53 1a2d s GLN 95 N 1.09 3.14 -0.13 2.72 -0.21 0.06 -2.23 119.66 124.11 1a2d s GLN 95 Ca 0.04 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 1a2d s GLN 95 Cb -0.14 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1a2d s GLN 95 CO 0.03 -0.42 0.06 0.15 -2.12 0.00 0.00 175.29 172.99 1a2d s LYS 96 N 1.51 3.50 -0.29 2.91 1.02 -0.77 -1.57 119.74 126.06 1a2d s LYS 96 Ca 0.03 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.53 1a2d s LYS 96 Cb -0.17 -3.06 0.13 0.00 -0.52 0.00 0.00 37.83 34.21 1a2d s LYS 96 CO 0.02 0.54 0.92 1.67 -0.92 0.00 0.00 175.35 177.59 1a2d s TRP 97 N -0.40 -0.66 -1.49 3.18 -2.14 -0.51 -0.83 118.94 116.09 1a2d s TRP 97 Ca 0.09 1.36 -0.12 0.00 2.66 0.00 0.00 56.10 60.09 1a2d s TRP 97 Cb -0.12 0.40 0.07 0.00 -3.10 0.00 0.00 33.47 30.73 1a2d s TRP 97 CO 0.02 -0.33 0.85 -0.25 -2.66 0.00 0.00 176.95 174.58 1a2d n ASP 98 N 3.61 -4.83 0.00 -2.66 8.00 -1.26 -1.16 116.55 118.26 1a2d n ASP 98 Ca -0.18 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1a2d n ASP 98 Cb 0.58 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1a2d n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2d n GLY 99 N -1.58 1.23 3.63 0.44 0.00 -1.26 -4.96 105.19 102.69 1a2d n GLY 99 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1a2d n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2d s LYS 100 N 0.00 0.55 -0.17 1.61 1.02 -0.31 -5.06 119.74 117.38 1a2d s LYS 100 Ca 0.00 1.25 -0.21 0.00 0.02 0.00 0.00 55.97 57.03 1a2d s LYS 100 Cb 0.00 -1.70 0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1a2d s LYS 100 CO 0.00 -2.85 0.56 0.45 -0.92 0.00 0.00 175.35 172.59 1a2d s SER 101 N -2.75 -0.56 0.18 2.83 0.15 -1.26 -1.42 113.70 110.86 1a2d s SER 101 Ca 0.66 1.00 0.05 0.00 0.70 0.00 0.00 55.95 58.36 1a2d s SER 101 Cb -0.23 1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 1a2d s SER 101 CO 0.60 -0.27 -0.09 0.28 1.20 0.00 0.00 173.24 174.96 1a2d s THR 102 N -0.03 1.26 -0.07 6.45 -1.32 -0.61 -4.74 115.64 116.58 1a2d s THR 102 Ca -0.03 -2.09 -0.00 0.00 -1.21 0.00 0.00 61.69 58.37 1a2d s THR 102 Cb -0.04 -2.01 0.02 0.00 -1.51 0.00 0.00 72.50 68.96 1a2d s THR 102 CO 0.02 -0.61 -0.04 -0.89 -2.21 0.00 0.00 174.62 170.90 1a2d s THR 103 N -3.27 0.61 -0.32 5.08 2.01 -0.84 -0.76 115.64 118.16 1a2d s THR 103 Ca 0.21 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1a2d s THR 103 Cb 0.03 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1a2d s THR 103 CO 0.04 0.28 0.13 -0.63 -0.69 0.00 0.00 174.62 173.75 1a2d s ILE 104 N 1.56 4.29 -0.17 1.82 -1.09 0.73 -1.12 121.20 127.21 1a2d s ILE 104 Ca -0.00 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1a2d s ILE 104 Cb -0.13 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1a2d s ILE 104 CO -0.04 0.01 0.02 -0.54 -1.23 0.00 0.00 174.94 173.16 1a2d s LYS 105 N 1.55 3.84 -0.56 2.79 1.02 0.14 -0.17 119.74 128.34 1a2d s LYS 105 Ca 0.03 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1a2d s LYS 105 Cb -0.18 -3.10 0.14 0.00 -0.52 0.00 0.00 37.83 34.17 1a2d s LYS 105 CO 0.05 0.24 0.32 1.03 -0.92 0.00 0.00 175.35 176.06 1a2d s ARG 106 N 0.42 2.12 0.69 1.68 0.52 -0.44 -0.21 118.95 123.74 1a2d s ARG 106 Ca 0.00 -2.73 0.03 0.00 -0.52 0.00 0.00 55.73 52.51 1a2d s ARG 106 Cb -0.13 -3.38 0.13 0.00 0.52 0.00 0.00 34.95 32.08 1a2d s ARG 106 CO 0.01 -1.14 0.96 -1.59 0.02 0.00 0.00 175.30 173.56 1a2d s LYS 107 N -0.46 1.77 -0.01 3.54 -2.85 -0.28 -2.05 119.74 119.40 1a2d s LYS 107 Ca 0.18 -1.37 0.03 0.00 -1.00 0.00 0.00 55.97 53.81 1a2d s LYS 107 Cb -0.22 -2.43 -0.01 0.00 -2.06 0.00 0.00 37.83 33.12 1a2d s LYS 107 CO -0.03 -1.35 -0.10 0.50 0.10 0.00 0.00 175.35 174.47 1a2d s ARG 108 N -5.03 0.86 -0.29 1.78 6.06 -1.26 -1.36 118.95 119.71 1a2d s ARG 108 Ca 0.66 -0.36 -0.03 0.00 -2.50 0.00 0.00 55.73 53.50 1a2d s ARG 108 Cb -0.05 -0.83 0.10 0.00 0.06 0.00 0.00 34.95 34.24 1a2d s ARG 108 CO 0.43 0.20 0.12 -0.51 -2.50 0.00 0.00 175.30 173.04 1a2d s ASP 109 N -0.15 3.66 1.98 -2.12 1.11 0.20 -4.92 116.67 116.43 1a2d s ASP 109 Ca 0.03 -1.38 0.00 0.00 0.18 0.00 0.00 52.55 51.38 1a2d s ASP 109 Cb -0.05 -0.50 0.00 0.00 1.07 0.00 0.00 42.92 43.44 1a2d s ASP 109 CO -0.00 -0.43 0.00 0.61 1.18 0.00 0.00 175.17 176.53 1a2d n GLY 110 N 5.13 1.96 0.93 0.21 0.00 -1.26 -0.73 105.19 111.43 1a2d n GLY 110 Ca -0.05 0.36 0.10 0.00 0.00 0.00 0.00 46.02 46.43 1a2d n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a2d n ASP 111 N 11.27 2.74 -4.48 1.61 5.75 -1.26 -4.96 116.55 127.23 1a2d n ASP 111 Ca 0.00 -1.92 -0.25 0.00 -0.01 0.00 0.00 54.79 52.61 1a2d n ASP 111 Cb 0.00 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 39.73 1a2d n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a2d s LYS 112 N -1.49 1.71 -0.29 0.11 1.02 0.10 -4.39 119.74 116.51 1a2d s LYS 112 Ca 0.36 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 54.71 1a2d s LYS 112 Cb 0.20 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.67 1a2d s LYS 112 CO 0.27 0.37 0.01 -1.17 -0.92 0.00 0.00 175.35 173.92 1a2d s LEU 113 N -3.16 3.73 -0.25 3.17 2.96 -1.14 -0.62 118.68 123.37 1a2d s LEU 113 Ca 0.26 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 1a2d s LEU 113 Cb -0.07 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1a2d s LEU 113 CO 0.14 -0.21 0.19 -0.69 -1.32 0.00 0.00 176.35 174.45 1a2d s VAL 114 N 1.35 5.33 -0.20 1.68 1.01 -0.46 -0.53 120.40 128.58 1a2d s VAL 114 Ca -0.01 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1a2d s VAL 114 Cb -0.18 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1a2d s VAL 114 CO -0.01 0.32 0.05 -0.69 0.00 0.00 0.00 175.10 174.77 1a2d s VAL 115 N 1.23 4.54 0.25 2.92 1.01 -0.31 -1.12 120.40 128.93 1a2d s VAL 115 Ca 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1a2d s VAL 115 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1a2d s VAL 115 CO 0.06 0.43 0.06 -0.62 0.00 0.00 0.00 175.10 175.03 1a2d n GLU 116 N 3.95 1.30 -3.64 2.72 1.02 0.71 -1.62 120.64 125.07 1a2d n GLU 116 Ca -0.16 -1.75 -0.04 0.00 -0.02 0.00 0.00 57.16 55.18 1a2d n GLU 116 Cb 0.52 0.38 -0.07 0.00 -0.02 0.00 0.00 31.44 32.25 1a2d n GLU 116 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a2d s VAL 118 N -1.70 0.00 -0.40 2.62 1.01 -0.28 0.25 120.40 121.90 1a2d s VAL 118 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.12 1a2d s VAL 118 Cb -0.00 -1.00 0.30 0.00 0.00 0.00 0.00 36.38 35.68 1a2d s VAL 118 CO 0.03 0.00 0.74 0.80 0.00 0.00 0.00 175.10 176.67 1a2d n MET 119 N 2.25 0.87 -2.71 2.72 1.56 -0.74 -1.99 117.12 119.08 1a2d n MET 119 Ca -0.13 -2.92 -0.01 0.00 -0.27 0.00 0.00 57.70 54.37 1a2d n MET 119 Cb 0.57 -1.42 -0.01 0.00 2.15 0.00 0.00 33.22 34.51 1a2d n MET 119 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1a2d n LYS 120 N 0.81 -3.62 0.00 2.12 4.81 -1.26 -4.15 118.16 116.87 1a2d n LYS 120 Ca 0.19 2.87 0.00 0.00 -0.87 0.00 0.00 58.31 60.50 1a2d n LYS 120 Cb 0.62 -5.28 0.00 0.00 0.02 0.00 0.00 35.03 30.39 1a2d n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a2d n GLY 121 N 0.86 2.08 3.69 3.14 0.00 -1.26 -4.94 105.19 108.76 1a2d n GLY 121 Ca -0.06 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1a2d n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2d s VAL 122 N 0.00 3.41 -0.12 1.61 0.11 -1.26 -5.00 120.40 119.16 1a2d s VAL 122 Ca 0.00 0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 59.90 1a2d s VAL 122 Cb 0.00 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1a2d s VAL 122 CO 0.00 0.01 0.01 0.28 -3.33 0.00 0.00 175.10 172.07 1a2d s THR 123 N 2.24 0.46 0.59 5.04 -1.32 -1.26 -1.79 115.64 119.60 1a2d s THR 123 Ca 0.67 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.93 1a2d s THR 123 Cb -0.35 -0.73 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 1a2d s THR 123 CO 0.29 0.11 0.97 -0.55 -2.21 0.00 0.00 174.62 173.23 1a2d s SER 124 N 1.92 6.16 -0.11 8.08 0.15 -1.26 -4.88 113.70 123.77 1a2d s SER 124 Ca 0.03 1.26 -0.03 0.00 0.70 0.00 0.00 55.95 57.91 1a2d s SER 124 Cb -0.14 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 61.87 1a2d s SER 124 CO -0.06 -0.84 0.11 -0.89 1.20 0.00 0.00 173.24 172.75 1a2d s THR 125 N -3.09 -0.16 -0.16 6.45 2.01 -0.53 -4.32 115.64 115.84 1a2d s THR 125 Ca 0.53 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1a2d s THR 125 Cb -0.11 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1a2d s THR 125 CO 0.51 -0.00 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.20 1a2d s ARG 126 N 2.21 2.06 -0.05 4.92 0.52 -0.64 -0.98 118.95 126.99 1a2d s ARG 126 Ca 0.04 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 1a2d s ARG 126 Cb -0.14 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 1a2d s ARG 126 CO -0.06 -0.31 0.41 0.08 0.02 0.00 0.00 175.30 175.43 1a2d s VAL 127 N 1.50 5.11 0.42 3.52 1.01 -1.06 -1.16 120.40 129.74 1a2d s VAL 127 Ca 0.03 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1a2d s VAL 127 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1a2d s VAL 127 CO -0.10 0.49 0.14 -0.31 0.00 0.00 0.00 175.10 175.33 1a2d s TYR 128 N -0.46 2.57 -0.25 5.22 1.51 0.31 -0.97 117.35 125.27 1a2d s TYR 128 Ca 0.23 -0.61 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1a2d s TYR 128 Cb -0.16 -1.92 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1a2d s TYR 128 CO 0.11 0.23 0.66 -2.00 -1.11 0.00 0.00 175.55 173.44 1a2d s GLU 129 N -3.87 0.73 -0.03 -0.62 2.12 -0.45 -2.88 118.70 113.71 1a2d s GLU 129 Ca 0.39 1.01 -0.39 0.00 0.36 0.00 0.00 54.97 56.34 1a2d s GLU 129 Cb 0.05 0.28 -0.18 0.00 0.26 0.00 0.00 34.13 34.54 1a2d s GLU 129 CO 0.21 -0.11 1.34 0.54 -0.54 0.00 0.00 175.26 176.70 1a2d n ARG 130 N 3.32 0.74 0.00 4.30 1.74 -1.26 -0.83 116.66 124.67 1a2d n ARG 130 Ca -0.16 0.27 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1a2d n ARG 130 Cb 0.56 -1.87 0.60 0.00 -1.02 0.00 0.00 32.46 30.73 1a2d n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11