#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py1 s SER 2 N 0.00 4.55 -0.07 1.61 0.15 -1.26 -5.06 113.70 113.62 2py1 s SER 2 Ca 0.00 -3.27 0.02 0.00 0.70 0.00 0.00 55.95 53.40 2py1 s SER 2 Cb 0.00 -1.66 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 2py1 s SER 2 CO 0.00 -0.19 -0.12 -0.32 1.20 0.00 0.00 173.24 173.80 2py1 s MET 3 N -0.65 1.77 0.00 5.44 -2.45 -1.26 -5.11 119.30 117.04 2py1 s MET 3 Ca 0.20 -0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 2py1 s MET 3 Cb -0.19 -1.49 0.00 0.00 1.25 0.00 0.00 34.83 34.40 2py1 s MET 3 CO -0.05 0.00 0.00 0.43 1.05 0.00 0.00 175.02 176.45 2py1 n SER 4 N 3.92 0.00 -2.76 1.11 7.64 -1.26 -4.75 113.62 117.53 2py1 n SER 4 Ca -0.22 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.61 2py1 n SER 4 Cb 0.52 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2py1 n SER 4 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2py1 n PHE 5 N -0.52 -3.63 -3.74 1.43 3.72 -1.26 -5.09 117.46 108.37 2py1 n PHE 5 Ca 0.00 -1.52 -0.36 0.00 -0.05 0.00 0.00 57.45 55.52 2py1 n PHE 5 Cb 0.00 1.52 -0.10 0.00 -0.94 0.00 0.00 39.48 39.96 2py1 n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2py1 s SER 6 N -0.19 5.21 0.00 4.37 0.15 -1.26 -4.33 113.70 117.65 2py1 s SER 6 Ca 0.31 -2.66 0.00 0.00 0.70 0.00 0.00 55.95 54.30 2py1 s SER 6 Cb 0.10 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2py1 s SER 6 CO -0.13 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2py1 n GLY 7 N 3.74 5.49 3.35 9.45 0.00 -1.26 -5.01 105.19 120.95 2py1 n GLY 7 Ca 0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 2py1 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2py1 s LYS 8 N 3.89 1.31 -0.01 1.61 2.20 -1.26 -4.18 119.74 123.31 2py1 s LYS 8 Ca 0.00 -1.38 0.03 0.00 -0.36 0.00 0.00 55.97 54.26 2py1 s LYS 8 Cb 0.00 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.80 2py1 s LYS 8 CO 0.00 0.33 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.76 2py1 s TYR 9 N -1.69 0.84 -0.04 4.03 5.04 -1.25 -3.50 117.35 120.78 2py1 s TYR 9 Ca 0.15 -0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2py1 s TYR 9 Cb -0.08 -0.55 0.01 0.00 0.35 0.00 0.00 41.96 41.69 2py1 s TYR 9 CO 0.07 -0.03 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.01 2py1 s GLN 10 N -0.15 1.24 -0.25 4.97 0.74 -1.26 -4.02 119.66 120.93 2py1 s GLN 10 Ca 0.03 -0.33 -0.35 0.00 0.05 0.00 0.00 55.36 54.76 2py1 s GLN 10 Cb -0.04 -1.10 -0.11 0.00 1.10 0.00 0.00 33.01 32.85 2py1 s GLN 10 CO -0.00 0.06 2.04 -0.11 -0.55 0.00 0.00 175.29 176.73 2py1 n LEU 11 N 3.57 2.66 -0.08 3.68 -0.00 -1.04 -4.37 117.00 121.42 2py1 n LEU 11 Ca -0.21 0.65 -0.09 0.00 -0.00 0.00 0.00 56.01 56.36 2py1 n LEU 11 Cb 0.53 -1.30 -0.03 0.00 -0.00 0.00 0.00 43.42 42.61 2py1 n LEU 11 CO 0.25 -0.49 -0.48 1.67 -0.00 0.00 0.00 177.39 178.34 2py1 n GLN 12 N 7.41 0.49 -4.03 1.96 7.27 -1.13 -4.89 117.38 124.45 2py1 n GLN 12 Ca 0.33 0.47 -0.10 0.00 0.07 0.00 0.00 57.00 57.76 2py1 n GLN 12 Cb 0.25 -1.65 -0.07 0.00 2.41 0.00 0.00 30.24 31.19 2py1 n GLN 12 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2py1 s SER 13 N -5.99 0.00 -0.04 1.69 0.15 -0.78 -5.01 113.70 103.73 2py1 s SER 13 Ca -0.20 -1.01 -0.09 0.00 0.70 0.00 0.00 55.95 55.34 2py1 s SER 13 Cb 0.03 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2py1 s SER 13 CO 0.32 -1.00 0.22 -1.10 1.20 0.00 0.00 173.24 172.87 2py1 s GLN 14 N -4.03 0.44 -0.10 5.44 -0.21 -1.26 -2.89 119.66 117.04 2py1 s GLN 14 Ca 0.25 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.58 2py1 s GLN 14 Cb 0.02 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.24 2py1 s GLN 14 CO 0.07 -0.10 -0.12 -2.00 -2.12 0.00 0.00 175.29 171.02 2py1 s GLU 15 N -0.76 1.89 -1.70 2.91 2.12 -0.86 -4.75 118.70 117.55 2py1 s GLU 15 Ca -0.08 -0.44 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2py1 s GLU 15 Cb -0.05 -1.67 0.15 0.00 0.26 0.00 0.00 34.13 32.82 2py1 s GLU 15 CO 0.02 -0.09 0.70 0.09 -0.54 0.00 0.00 175.26 175.43 2py1 n ASN 16 N 4.29 -2.66 -0.07 -1.70 4.13 -1.26 -3.88 115.26 114.12 2py1 n ASN 16 Ca -0.19 -1.06 -0.11 0.00 1.68 0.00 0.00 54.58 54.91 2py1 n ASN 16 Cb 0.51 -2.57 -0.04 0.00 -1.54 0.00 0.00 39.78 36.14 2py1 n ASN 16 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2py1 h PHE 17 N -1.45 0.36 0.00 3.10 -5.15 -1.92 -2.40 116.94 109.48 2py1 h PHE 17 Ca -0.60 -0.04 -0.00 0.00 -0.20 0.00 0.00 57.97 57.13 2py1 h PHE 17 Cb 1.38 -0.10 -0.00 0.00 0.22 0.00 0.00 35.95 37.45 2py1 h PHE 17 CO 0.63 0.44 -0.02 1.05 -2.00 0.00 0.00 178.31 178.42 2py1 h GLU 18 N 0.18 0.00 -0.38 6.09 4.11 -1.97 -2.84 114.58 119.78 2py1 h GLU 18 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.40 2py1 h GLU 18 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2py1 h GLU 18 CO -0.00 0.02 -0.17 0.00 0.07 0.00 0.00 179.01 178.93 2py1 h ALA 19 N 1.98 1.00 0.00 1.06 0.00 -1.80 -1.53 119.26 119.97 2py1 h ALA 19 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2py1 h ALA 19 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2py1 h ALA 19 CO 0.00 0.59 -0.10 0.35 0.00 0.00 0.00 179.25 180.09 2py1 h PHE 20 N 0.63 0.00 0.09 0.00 3.04 -1.22 -1.41 116.94 118.08 2py1 h PHE 20 Ca 0.10 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.75 2py1 h PHE 20 Cb 0.64 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 2py1 h PHE 20 CO 0.03 0.10 -1.55 0.52 -2.02 0.00 0.00 178.31 175.39 2py1 h MET 21 N 0.00 0.19 0.00 1.11 2.86 -1.46 -3.30 114.93 114.32 2py1 h MET 21 Ca -0.00 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 2py1 h MET 21 Cb 0.32 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2py1 h MET 21 CO 0.01 1.01 -0.37 0.87 1.06 0.00 0.00 176.91 179.49 2py1 h LYS 22 N 0.05 0.00 -0.27 1.72 1.79 -0.77 0.67 116.57 119.76 2py1 h LYS 22 Ca -0.24 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2py1 h LYS 22 Cb 1.99 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.62 2py1 h LYS 22 CO 0.14 0.37 0.11 0.00 -1.08 0.00 0.00 179.45 178.99 2py1 h ALA 23 N 1.63 0.31 0.00 3.86 0.00 -1.35 -1.59 119.26 122.12 2py1 h ALA 23 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2py1 h ALA 23 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2py1 h ALA 23 CO 0.05 -0.29 -0.27 -0.84 0.00 0.00 0.00 179.25 177.90 2py1 h ILE 24 N 0.25 0.36 -0.49 0.00 3.07 -1.63 -3.48 117.51 115.59 2py1 h ILE 24 Ca 0.11 -1.52 0.00 0.00 1.55 0.00 0.00 64.86 65.01 2py1 h ILE 24 Cb 0.06 2.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2py1 h ILE 24 CO -0.10 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 2py1 n GLY 25 N 1.16 0.72 3.84 0.16 0.00 0.01 -5.10 105.19 105.98 2py1 n GLY 25 Ca 0.03 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2py1 n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2py1 s LEU 26 N -0.49 4.41 0.96 0.99 2.96 0.21 -4.96 118.68 122.76 2py1 s LEU 26 Ca 0.00 1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 54.78 2py1 s LEU 26 Cb 0.00 -2.96 0.17 0.00 0.50 0.00 0.00 46.19 43.90 2py1 s LEU 26 CO 0.00 0.21 1.16 -2.16 -1.32 0.00 0.00 176.35 174.24 2py1 s PRO 27 N -1.58 0.71 0.44 0.98 0.04 -1.26 -4.60 135.00 129.73 2py1 s PRO 27 Ca 0.32 0.12 0.23 0.00 0.04 0.00 0.00 61.00 61.70 2py1 s PRO 27 Cb -0.16 -1.80 0.99 0.00 0.04 0.00 0.00 34.50 33.57 2py1 s PRO 27 CO 0.17 -2.46 1.87 1.05 0.04 0.00 0.00 177.00 177.68 2py1 h GLU 28 N -1.68 0.00 -0.17 4.56 4.11 -1.98 -2.29 114.58 117.13 2py1 h GLU 28 Ca -0.49 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.96 2py1 h GLU 28 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2py1 h GLU 28 CO 0.54 0.25 0.07 1.49 0.07 0.00 0.00 179.01 181.43 2py1 h GLU 29 N 0.00 0.15 -0.11 1.06 4.81 -1.97 1.52 114.58 120.04 2py1 h GLU 29 Ca -0.00 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2py1 h GLU 29 Cb 0.66 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2py1 h GLU 29 CO 0.03 0.10 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.71 2py1 h LEU 30 N 0.16 0.48 -0.35 1.64 3.38 -1.90 0.87 115.31 119.59 2py1 h LEU 30 Ca 0.07 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2py1 h LEU 30 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2py1 h LEU 30 CO -0.06 0.99 -0.03 0.40 0.09 0.00 0.00 178.44 179.83 2py1 h ILE 31 N 0.31 1.27 0.00 1.22 1.08 -0.87 -2.26 117.51 118.25 2py1 h ILE 31 Ca -0.01 -1.04 -0.09 0.00 -0.39 0.00 0.00 64.86 63.33 2py1 h ILE 31 Cb 1.18 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 2py1 h ILE 31 CO 0.11 0.34 -0.41 1.56 -0.69 0.00 0.00 178.15 179.07 2py1 h GLN 32 N 0.45 0.00 -0.70 2.37 4.20 0.22 0.41 115.11 122.06 2py1 h GLN 32 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2py1 h GLN 32 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2py1 h GLN 32 CO 0.02 0.41 0.00 1.63 -0.67 0.00 0.00 178.83 180.22 2py1 n LYS 33 N -3.52 2.63 0.08 1.46 5.02 0.29 -3.11 118.16 121.01 2py1 n LYS 33 Ca -0.00 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 2py1 n LYS 33 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2py1 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2py1 n GLY 34 N 0.46 -0.16 0.29 0.72 0.00 -0.88 -4.42 105.19 101.19 2py1 n GLY 34 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 2py1 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2py1 h LYS 35 N 0.00 0.00 -0.01 1.61 2.10 -0.36 0.30 116.57 120.20 2py1 h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2py1 h LYS 35 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2py1 h LYS 35 CO 0.00 0.06 -0.26 -3.47 -2.00 0.00 0.00 179.45 173.78 2py1 n ASP 36 N -3.53 0.99 -4.28 7.07 -0.08 -1.18 -4.74 116.55 110.80 2py1 n ASP 36 Ca -0.02 -0.85 -0.35 0.00 -1.51 0.00 0.00 54.79 52.05 2py1 n ASP 36 Cb 0.18 0.13 -0.14 0.00 2.34 0.00 0.00 41.12 43.63 2py1 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2py1 s ILE 37 N -2.52 3.35 -0.16 5.18 1.01 0.10 -5.06 121.20 123.11 2py1 s ILE 37 Ca 0.24 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 2py1 s ILE 37 Cb 0.19 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2py1 s ILE 37 CO 0.53 0.23 2.01 -0.75 0.00 0.00 0.00 174.94 176.95 2py1 s LYS 38 N 1.42 3.55 -0.85 2.79 2.20 -1.26 -4.80 119.74 122.79 2py1 s LYS 38 Ca 0.03 2.08 -0.20 0.00 -0.36 0.00 0.00 55.97 57.51 2py1 s LYS 38 Cb -0.16 -4.24 -0.20 0.00 -1.51 0.00 0.00 37.83 31.72 2py1 s LYS 38 CO -0.02 -1.62 2.29 0.41 -0.36 0.00 0.00 175.35 176.05 2py1 n GLY 39 N 5.19 -0.27 3.45 5.54 0.00 -1.26 -4.78 105.19 113.06 2py1 n GLY 39 Ca 0.24 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2py1 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2py1 s VAL 40 N 10.15 3.52 -0.08 1.61 1.01 -1.26 -2.50 120.40 132.86 2py1 s VAL 40 Ca 1.02 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 2py1 s VAL 40 Cb -0.34 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2py1 s VAL 40 CO 0.23 0.51 0.42 -0.94 0.00 0.00 0.00 175.10 175.32 2py1 s SER 41 N 0.32 -0.37 -0.16 3.32 1.04 -1.26 -4.44 113.70 112.16 2py1 s SER 41 Ca -0.07 0.51 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 2py1 s SER 41 Cb -0.15 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2py1 s SER 41 CO 0.04 -0.34 0.40 -1.61 0.98 0.00 0.00 173.24 172.71 2py1 s GLU 42 N -0.64 4.26 -0.23 4.02 2.02 -1.26 -3.90 118.70 122.98 2py1 s GLU 42 Ca -0.07 0.28 -0.12 0.00 0.02 0.00 0.00 54.97 55.07 2py1 s GLU 42 Cb -0.04 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2py1 s GLU 42 CO 0.03 0.11 0.25 0.42 0.02 0.00 0.00 175.26 176.09 2py1 s ILE 43 N 0.84 5.30 -0.21 -1.63 1.01 -1.26 -3.94 121.20 121.31 2py1 s ILE 43 Ca 0.21 0.38 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2py1 s ILE 43 Cb -0.14 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 2py1 s ILE 43 CO 0.08 0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 174.56 2py1 s VAL 44 N 1.16 3.15 -0.07 2.92 1.01 -0.22 -4.01 120.40 124.35 2py1 s VAL 44 Ca 0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2py1 s VAL 44 Cb -0.14 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.85 2py1 s VAL 44 CO 0.06 0.45 -0.02 -1.10 0.00 0.00 0.00 175.10 174.49 2py1 s GLN 45 N 1.35 0.76 -0.22 2.72 -0.21 -1.26 0.04 119.66 122.83 2py1 s GLN 45 Ca 0.04 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.41 2py1 s GLN 45 Cb -0.14 -1.02 0.09 0.00 1.00 0.00 0.00 33.01 32.94 2py1 s GLN 45 CO -0.04 -0.26 0.15 1.21 -2.12 0.00 0.00 175.29 174.24 2py1 s ASN 46 N 1.74 2.36 1.33 5.90 3.84 -0.29 -4.54 114.94 125.26 2py1 s ASN 46 Ca 0.02 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.38 2py1 s ASN 46 Cb -0.13 -0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 2py1 s ASN 46 CO -0.05 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.50 2py1 n GLY 47 N 5.28 0.94 0.04 1.21 0.00 -1.26 -1.47 105.19 109.93 2py1 n GLY 47 Ca -0.06 0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 2py1 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2py1 n LYS 48 N 0.00 2.20 -3.09 1.61 4.76 -1.26 -4.92 118.16 117.47 2py1 n LYS 48 Ca 0.00 -0.02 -0.39 0.00 -2.87 0.00 0.00 58.31 55.03 2py1 n LYS 48 Cb 0.00 -1.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 2py1 n LYS 48 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2py1 s HIS 49 N -2.28 3.67 0.15 2.13 -3.43 -0.54 -3.32 115.29 111.67 2py1 s HIS 49 Ca -0.04 1.31 0.07 0.00 -0.80 0.00 0.00 55.06 55.59 2py1 s HIS 49 Cb 0.03 -2.73 -0.04 0.00 -1.43 0.00 0.00 32.58 28.41 2py1 s HIS 49 CO 0.38 0.26 -0.15 -0.06 -2.00 0.00 0.00 174.74 173.17 2py1 s PHE 50 N 0.11 1.59 -0.08 0.38 0.08 -0.93 -1.14 117.98 117.98 2py1 s PHE 50 Ca 0.35 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.90 2py1 s PHE 50 Cb -0.19 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 2py1 s PHE 50 CO 0.19 0.24 -0.21 0.15 -0.10 0.00 0.00 175.22 175.49 2py1 s LYS 51 N -2.95 2.80 0.21 0.44 1.02 0.11 -2.38 119.74 119.00 2py1 s LYS 51 Ca 0.14 -0.84 0.10 0.00 0.02 0.00 0.00 55.97 55.39 2py1 s LYS 51 Cb -0.04 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2py1 s LYS 51 CO 0.05 0.34 -0.11 0.12 -0.92 0.00 0.00 175.35 174.82 2py1 s PHE 52 N -0.03 2.56 0.01 3.18 5.36 -1.20 -1.05 117.98 126.81 2py1 s PHE 52 Ca -0.06 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 2py1 s PHE 52 Cb -0.15 -1.21 -0.01 0.00 -0.34 0.00 0.00 43.02 41.31 2py1 s PHE 52 CO 0.05 0.56 -0.05 0.99 -1.46 0.00 0.00 175.22 175.31 2py1 s THR 53 N -1.92 0.34 -0.20 0.12 2.01 -1.25 -4.15 115.64 110.59 2py1 s THR 53 Ca 0.26 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 2py1 s THR 53 Cb -0.08 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 2py1 s THR 53 CO 0.15 -0.06 0.01 -0.63 -0.69 0.00 0.00 174.62 173.39 2py1 s ILE 54 N -0.48 4.04 -0.52 1.82 1.09 -1.26 -4.68 121.20 121.21 2py1 s ILE 54 Ca -0.02 -0.29 0.04 0.00 -1.10 0.00 0.00 60.65 59.28 2py1 s ILE 54 Cb -0.04 -2.82 0.40 0.00 -1.06 0.00 0.00 42.46 38.93 2py1 s ILE 54 CO -0.00 0.43 1.21 0.41 -0.10 0.00 0.00 174.94 176.89 2py1 n THR 55 N 4.14 2.70 -2.79 2.92 -1.04 -1.26 -3.87 114.28 115.08 2py1 n THR 55 Ca -0.17 -4.98 -0.43 0.00 -2.04 0.00 0.00 64.05 56.43 2py1 n THR 55 Cb 0.52 -1.29 -0.04 0.00 -1.82 0.00 0.00 70.33 67.70 2py1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2py1 s ALA 56 N -3.61 3.11 0.00 2.41 0.00 -1.25 -4.78 121.76 117.63 2py1 s ALA 56 Ca 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2py1 s ALA 56 Cb 0.38 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2py1 s ALA 56 CO -0.21 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.43 2py1 n GLY 57 N 5.16 0.80 2.34 0.00 0.00 -1.26 -3.35 105.19 108.88 2py1 n GLY 57 Ca 0.02 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.23 2py1 n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2py1 n SER 58 N 8.31 -0.03 -3.24 1.61 7.64 -1.26 -5.05 113.62 121.59 2py1 n SER 58 Ca 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 58.87 57.38 2py1 n SER 58 Cb 0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 2py1 n SER 58 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2py1 s LYS 59 N -0.49 0.19 0.05 1.43 -2.85 -1.21 -5.17 119.74 111.68 2py1 s LYS 59 Ca 0.34 0.41 0.04 0.00 -1.00 0.00 0.00 55.97 55.75 2py1 s LYS 59 Cb 0.09 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2py1 s LYS 59 CO -0.16 -0.12 -0.02 0.14 0.10 0.00 0.00 175.35 175.29 2py1 s VAL 60 N 2.57 3.95 -0.05 1.79 -7.23 -1.25 -3.85 120.40 116.32 2py1 s VAL 60 Ca -0.01 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2py1 s VAL 60 Cb -0.07 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.07 2py1 s VAL 60 CO -0.14 0.24 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.13 2py1 s ILE 61 N -1.19 1.15 -0.28 -0.62 1.01 -1.26 -4.97 121.20 115.05 2py1 s ILE 61 Ca 0.22 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 2py1 s ILE 61 Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2py1 s ILE 61 CO 0.14 0.35 0.13 0.00 0.00 0.00 0.00 174.94 175.56 2py1 s GLN 62 N 0.46 3.63 -0.11 2.79 0.00 -1.26 -4.13 119.66 121.04 2py1 s GLN 62 Ca -0.11 -0.51 -0.23 0.00 -0.00 0.00 0.00 55.36 54.51 2py1 s GLN 62 Cb -0.14 -3.50 0.05 0.00 0.00 0.00 0.00 33.01 29.43 2py1 s GLN 62 CO 0.03 -0.26 0.56 -0.80 0.00 0.00 0.00 175.29 174.82 2py1 s ASN 63 N 1.66 -0.54 -0.03 12.60 0.01 -1.26 -5.12 114.94 122.25 2py1 s ASN 63 Ca 0.06 0.76 0.04 0.00 -0.71 0.00 0.00 52.86 53.01 2py1 s ASN 63 Cb -0.16 0.75 -0.00 0.00 0.41 0.00 0.00 41.25 42.24 2py1 s ASN 63 CO 0.07 -0.42 -0.14 -1.83 -1.51 0.00 0.00 177.10 173.27 2py1 s GLU 64 N -0.64 1.39 0.24 -0.60 -1.05 -1.26 -3.23 118.70 113.55 2py1 s GLU 64 Ca -0.07 -0.48 0.06 0.00 -0.15 0.00 0.00 54.97 54.32 2py1 s GLU 64 Cb -0.03 -1.25 -0.05 0.00 -0.44 0.00 0.00 34.13 32.36 2py1 s GLU 64 CO 0.05 0.21 -0.07 -0.59 0.95 0.00 0.00 175.26 175.81 2py1 s PHE 65 N 0.04 1.76 -0.03 4.83 -0.12 -1.00 -5.03 117.98 118.42 2py1 s PHE 65 Ca -0.02 -0.72 0.07 0.00 -0.05 0.00 0.00 56.93 56.20 2py1 s PHE 65 Cb -0.09 -0.96 -0.02 0.00 -0.63 0.00 0.00 43.02 41.31 2py1 s PHE 65 CO 0.01 0.21 -0.23 0.99 -0.05 0.00 0.00 175.22 176.15 2py1 s THR 66 N -3.12 2.28 0.92 -4.49 2.01 -1.26 -2.19 115.64 109.79 2py1 s THR 66 Ca 0.27 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 2py1 s THR 66 Cb 0.03 -1.82 0.15 0.00 0.01 0.00 0.00 72.50 70.87 2py1 s THR 66 CO 0.09 0.58 1.16 0.54 -0.69 0.00 0.00 174.62 176.30 2py1 s VAL 67 N -0.58 1.97 0.00 3.82 0.11 -1.21 -3.91 120.40 120.60 2py1 s VAL 67 Ca 0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 2py1 s VAL 67 Cb -0.11 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 2py1 s VAL 67 CO -0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2py1 n GLY 68 N -2.39 1.90 3.55 6.54 0.00 -1.09 -4.93 105.19 108.78 2py1 n GLY 68 Ca 0.08 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2py1 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2py1 s GLU 69 N 0.00 1.83 0.02 1.61 2.02 -1.25 -4.96 118.70 117.97 2py1 s GLU 69 Ca 0.00 -2.02 -0.18 0.00 0.02 0.00 0.00 54.97 52.79 2py1 s GLU 69 Cb 0.00 -1.42 -0.06 0.00 0.10 0.00 0.00 34.13 32.75 2py1 s GLU 69 CO 0.00 -0.05 0.53 -2.00 0.02 0.00 0.00 175.26 173.76 2py1 s GLU 70 N -3.74 4.18 0.33 1.61 2.12 -1.26 -4.19 118.70 117.74 2py1 s GLU 70 Ca 0.35 0.64 0.08 0.00 0.36 0.00 0.00 54.97 56.39 2py1 s GLU 70 Cb 0.08 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.14 2py1 s GLU 70 CO 0.17 0.55 -0.05 0.00 -0.54 0.00 0.00 175.26 175.39 2py1 s GLU 72 N -3.69 3.50 -0.01 0.00 -1.05 -1.26 -0.22 118.70 115.97 2py1 s GLU 72 Ca 0.32 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 2py1 s GLU 72 Cb 0.05 -2.80 0.01 0.00 -0.44 0.00 0.00 34.13 30.94 2py1 s GLU 72 CO 0.15 0.28 0.01 -0.51 0.95 0.00 0.00 175.26 176.14 2py1 s LEU 73 N 0.24 1.62 -0.42 1.83 1.43 -0.23 -4.97 118.68 118.18 2py1 s LEU 73 Ca -0.04 0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 2py1 s LEU 73 Cb -0.14 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.07 2py1 s LEU 73 CO 0.04 -0.05 1.06 -0.70 0.23 0.00 0.00 176.35 176.92 2py1 s GLU 74 N 0.44 3.80 0.82 1.70 2.12 -1.26 -1.68 118.70 124.64 2py1 s GLU 74 Ca -0.04 0.63 -0.08 0.00 0.36 0.00 0.00 54.97 55.84 2py1 s GLU 74 Cb -0.05 -3.85 0.15 0.00 0.26 0.00 0.00 34.13 30.64 2py1 s GLU 74 CO -0.01 -1.17 1.14 0.95 -0.54 0.00 0.00 175.26 175.62 2py1 s THR 75 N 4.00 2.09 -0.95 -1.70 -4.23 -1.11 -4.96 115.64 108.77 2py1 s THR 75 Ca 0.44 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 2py1 s THR 75 Cb -0.10 -2.78 0.33 0.00 1.34 0.00 0.00 72.50 71.29 2py1 s THR 75 CO 0.25 0.00 1.06 1.15 -0.54 0.00 0.00 174.62 176.54 2py1 n MET 76 N -3.24 2.44 0.12 3.99 0.00 -1.26 -3.70 117.12 115.47 2py1 n MET 76 Ca 0.14 -1.26 0.12 0.00 0.00 0.00 0.00 57.70 56.70 2py1 n MET 76 Cb 0.60 -1.70 0.16 0.00 0.00 0.00 0.00 33.22 32.27 2py1 n MET 76 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2py1 h THR 77 N 1.68 0.00 0.00 3.17 2.02 -2.01 -3.47 112.91 114.30 2py1 h THR 77 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2py1 h THR 77 Cb 0.97 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2py1 h THR 77 CO 0.16 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.66 2py1 n GLY 78 N 1.23 1.79 2.78 2.16 0.00 -1.24 -5.08 105.19 106.83 2py1 n GLY 78 Ca 0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2py1 n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2py1 n GLU 79 N 0.00 0.96 -4.48 1.61 0.28 -1.26 -5.00 120.64 112.76 2py1 n GLU 79 Ca 0.00 -2.63 -0.34 0.00 -0.16 0.00 0.00 57.16 54.03 2py1 n GLU 79 Cb 0.00 0.45 -0.11 0.00 1.43 0.00 0.00 31.44 33.21 2py1 n GLU 79 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2py1 s LYS 80 N -3.56 3.11 0.18 3.44 -2.85 -1.26 -2.76 119.74 116.05 2py1 s LYS 80 Ca 0.14 -0.49 0.11 0.00 -1.00 0.00 0.00 55.97 54.73 2py1 s LYS 80 Cb -0.01 -2.76 -0.04 0.00 -2.06 0.00 0.00 37.83 32.96 2py1 s LYS 80 CO 0.09 0.54 -0.23 0.14 0.10 0.00 0.00 175.35 175.99 2py1 s VAL 81 N -0.47 2.25 -0.39 1.79 -7.23 -0.67 -4.95 120.40 110.74 2py1 s VAL 81 Ca 0.07 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 2py1 s VAL 81 Cb -0.12 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2py1 s VAL 81 CO 0.02 -0.12 0.30 -0.54 -0.31 0.00 0.00 175.10 174.45 2py1 s LYS 82 N -2.60 3.16 -0.14 4.82 3.01 -1.26 -1.06 119.74 125.68 2py1 s LYS 82 Ca 0.19 -0.86 -0.07 0.00 -1.01 0.00 0.00 55.97 54.22 2py1 s LYS 82 Cb -0.08 -3.92 -0.04 0.00 -1.01 0.00 0.00 37.83 32.78 2py1 s LYS 82 CO 0.09 -0.66 0.13 0.95 0.51 0.00 0.00 175.35 176.37 2py1 s THR 83 N 1.75 5.42 -0.07 2.17 -4.23 0.69 -4.61 115.64 116.77 2py1 s THR 83 Ca 0.06 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 2py1 s THR 83 Cb -0.18 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2py1 s THR 83 CO 0.11 0.58 -0.19 0.54 -0.54 0.00 0.00 174.62 175.12 2py1 s VAL 84 N -0.71 1.63 -0.18 2.29 0.11 -1.22 -1.01 120.40 121.31 2py1 s VAL 84 Ca 0.13 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 2py1 s VAL 84 Cb -0.12 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 2py1 s VAL 84 CO 0.03 0.46 0.03 -0.69 -3.33 0.00 0.00 175.10 171.60 2py1 s VAL 85 N 0.30 4.41 0.26 2.04 1.01 -1.26 -3.02 120.40 124.14 2py1 s VAL 85 Ca -0.12 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2py1 s VAL 85 Cb -0.15 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2py1 s VAL 85 CO 0.05 0.46 -0.05 -1.10 0.00 0.00 0.00 175.10 174.46 2py1 s GLN 86 N 0.49 2.15 -0.12 2.72 -0.21 0.58 -2.66 119.66 122.61 2py1 s GLN 86 Ca 0.01 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 53.92 2py1 s GLN 86 Cb -0.13 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 2py1 s GLN 86 CO 0.02 0.37 -0.14 -0.48 -2.12 0.00 0.00 175.29 172.93 2py1 s LEU 87 N -3.56 2.68 0.13 2.90 0.05 -1.26 0.30 118.68 119.92 2py1 s LEU 87 Ca 0.30 -0.32 0.03 0.00 0.05 0.00 0.00 54.13 54.19 2py1 s LEU 87 Cb -0.06 -1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 42.44 2py1 s LEU 87 CO 0.18 0.19 -0.08 -0.70 -0.55 0.00 0.00 176.35 175.39 2py1 s GLU 88 N 0.21 0.97 5.38 1.48 2.12 0.27 -4.91 118.70 124.22 2py1 s GLU 88 Ca -0.09 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 53.84 2py1 s GLU 88 Cb -0.15 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.80 2py1 s GLU 88 CO 0.05 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2py1 n GLY 89 N -0.14 3.53 0.44 -1.50 0.00 -1.26 -2.38 105.19 103.88 2py1 n GLY 89 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2py1 n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 90 N 5.72 0.00 0.00 1.61 9.92 -1.26 -4.87 116.55 127.67 2py1 n ASP 90 Ca 0.00 -1.62 0.00 0.00 -0.53 0.00 0.00 54.79 52.64 2py1 n ASP 90 Cb 0.00 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 2py1 n ASP 90 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2py1 n ASN 91 N 0.00 0.00 -3.75 -2.24 2.85 -1.22 -5.13 115.26 105.78 2py1 n ASN 91 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 2py1 n ASN 91 Cb 0.62 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.51 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2py1 s LYS 92 N 0.00 0.13 0.05 1.20 2.20 -1.00 -2.90 119.74 119.42 2py1 s LYS 92 Ca 0.00 0.39 0.07 0.00 -0.36 0.00 0.00 55.97 56.07 2py1 s LYS 92 Cb 0.00 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 2py1 s LYS 92 CO 0.00 -0.15 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.17 2py1 s LEU 93 N 1.07 2.72 -0.18 5.43 1.02 -1.15 0.95 118.68 128.53 2py1 s LEU 93 Ca -0.08 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.66 2py1 s LEU 93 Cb -0.10 -1.58 0.03 0.00 0.02 0.00 0.00 46.19 44.56 2py1 s LEU 93 CO -0.06 0.24 -0.13 -0.69 0.02 0.00 0.00 176.35 175.73 2py1 s VAL 94 N -0.99 1.69 0.04 -1.59 1.01 0.15 -1.89 120.40 118.81 2py1 s VAL 94 Ca 0.16 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2py1 s VAL 94 Cb -0.11 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2py1 s VAL 94 CO 0.07 0.31 -0.10 0.28 0.00 0.00 0.00 175.10 175.66 2py1 s THR 95 N 1.40 0.73 0.05 3.92 -1.32 -1.26 0.21 115.64 119.38 2py1 s THR 95 Ca 0.01 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 2py1 s THR 95 Cb -0.15 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 2py1 s THR 95 CO -0.10 -0.18 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.20 2py1 s THR 96 N -1.01 0.35 -0.09 5.08 2.01 -1.17 -3.49 115.64 117.33 2py1 s THR 96 Ca -0.04 -1.49 -0.03 0.00 0.31 0.00 0.00 61.69 60.44 2py1 s THR 96 Cb -0.08 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.39 2py1 s THR 96 CO 0.01 -0.74 0.17 0.72 -0.69 0.00 0.00 174.62 174.08 2py1 s PHE 97 N -2.81 -0.20 0.00 4.92 -0.12 -1.19 -3.44 117.98 115.14 2py1 s PHE 97 Ca -0.01 0.64 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 2py1 s PHE 97 Cb -0.00 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 2py1 s PHE 97 CO -0.05 -0.27 0.00 1.17 -0.05 0.00 0.00 175.22 176.02 2py1 n LYS 98 N 5.20 0.00 -0.51 1.99 4.81 -1.26 -1.76 118.16 126.62 2py1 n LYS 98 Ca -0.07 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.41 2py1 n LYS 98 Cb 0.50 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.79 2py1 n LYS 98 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2py1 n ASN 99 N 1.09 3.69 -4.79 3.14 4.13 -1.26 -4.86 115.26 116.39 2py1 n ASN 99 Ca 0.00 -2.50 -0.36 0.00 1.68 0.00 0.00 54.58 53.41 2py1 n ASN 99 Cb 0.00 -0.58 -0.07 0.00 -1.54 0.00 0.00 39.78 37.59 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2py1 s ILE 100 N -1.98 5.35 -0.24 2.41 1.09 -0.72 -5.05 121.20 122.04 2py1 s ILE 100 Ca 0.32 0.16 -0.15 0.00 -1.10 0.00 0.00 60.65 59.88 2py1 s ILE 100 Cb 0.24 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 2py1 s ILE 100 CO 0.11 0.54 0.39 -1.59 -0.10 0.00 0.00 174.94 174.29 2py1 s LYS 101 N -0.40 4.08 0.03 2.79 -2.85 -1.26 -3.16 119.74 118.97 2py1 s LYS 101 Ca 0.11 0.11 0.09 0.00 -1.00 0.00 0.00 55.97 55.28 2py1 s LYS 101 Cb -0.12 -3.61 -0.03 0.00 -2.06 0.00 0.00 37.83 32.02 2py1 s LYS 101 CO 0.01 -0.19 -0.25 0.45 0.10 0.00 0.00 175.35 175.47 2py1 s SER 102 N 1.40 3.04 -0.04 0.03 0.15 -1.23 -3.95 113.70 113.10 2py1 s SER 102 Ca 0.17 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 2py1 s SER 102 Cb -0.15 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.90 2py1 s SER 102 CO 0.09 0.26 0.04 -0.69 1.20 0.00 0.00 173.24 174.14 2py1 s VAL 103 N -0.75 -0.00 -0.09 4.45 1.01 -1.19 -4.04 120.40 119.79 2py1 s VAL 103 Ca 0.11 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2py1 s VAL 103 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2py1 s VAL 103 CO 0.01 0.19 -0.02 -0.89 0.00 0.00 0.00 175.10 174.39 2py1 s THR 104 N 2.03 4.11 0.02 3.92 2.01 -0.79 -3.29 115.64 123.64 2py1 s THR 104 Ca 0.04 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 2py1 s THR 104 Cb -0.12 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.67 2py1 s THR 104 CO -0.03 0.59 0.17 -0.70 -0.69 0.00 0.00 174.62 173.96 2py1 s GLU 105 N -0.72 0.59 -0.28 4.92 2.12 -1.26 -2.95 118.70 121.12 2py1 s GLU 105 Ca 0.11 -0.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.83 2py1 s GLU 105 Cb -0.11 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2py1 s GLU 105 CO 0.02 -0.16 0.17 -1.17 -0.54 0.00 0.00 175.26 173.58 2py1 s LEU 106 N -1.73 3.93 -0.29 2.70 2.96 -1.14 -4.34 118.68 120.76 2py1 s LEU 106 Ca -0.10 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2py1 s LEU 106 Cb -0.04 -2.08 0.10 0.00 0.50 0.00 0.00 46.19 44.66 2py1 s LEU 106 CO -0.01 -0.05 0.12 0.20 -1.32 0.00 0.00 176.35 175.28 2py1 s ASN 107 N 1.73 3.63 1.88 3.68 0.01 -1.16 -5.00 114.94 119.71 2py1 s ASN 107 Ca 0.07 -1.36 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 2py1 s ASN 107 Cb -0.16 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.00 2py1 s ASN 107 CO 0.10 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2py1 n GLY 108 N 5.13 3.92 0.36 0.66 0.00 -1.26 -0.91 105.19 113.09 2py1 n GLY 108 Ca -0.05 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2py1 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 109 N 8.96 2.58 -4.34 1.61 10.43 -1.26 -4.98 116.55 129.54 2py1 n ASP 109 Ca 0.00 -2.15 -0.31 0.00 2.57 0.00 0.00 54.79 54.90 2py1 n ASP 109 Cb 0.00 -0.17 -0.15 0.00 1.84 0.00 0.00 41.12 42.63 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2py1 s ILE 110 N -1.26 2.25 -0.17 0.53 1.09 -0.09 -2.10 121.20 121.46 2py1 s ILE 110 Ca 0.16 -1.04 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 2py1 s ILE 110 Cb 0.10 -1.80 0.02 0.00 -1.06 0.00 0.00 42.46 39.72 2py1 s ILE 110 CO 0.08 0.57 -0.17 0.27 -0.10 0.00 0.00 174.94 175.59 2py1 s ILE 111 N -0.64 1.85 -0.17 2.92 -0.00 -1.00 -3.00 121.20 121.15 2py1 s ILE 111 Ca 0.10 -0.84 -0.06 0.00 -0.00 0.00 0.00 60.65 59.86 2py1 s ILE 111 Cb -0.10 -1.71 -0.03 0.00 -0.00 0.00 0.00 42.46 40.61 2py1 s ILE 111 CO -0.01 0.48 0.02 -0.89 -0.00 0.00 0.00 174.94 174.54 2py1 s THR 112 N 1.37 4.39 0.01 8.37 2.01 -1.26 -4.04 115.64 126.49 2py1 s THR 112 Ca 0.04 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.89 2py1 s THR 112 Cb -0.13 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2py1 s THR 112 CO -0.12 0.48 -0.02 0.54 -0.69 0.00 0.00 174.62 174.82 2py1 s ASN 113 N 0.32 5.00 -0.13 3.53 4.22 -1.26 -4.24 114.94 122.38 2py1 s ASN 113 Ca 0.00 -0.05 0.02 0.00 -2.14 0.00 0.00 52.86 50.69 2py1 s ASN 113 Cb -0.13 -1.26 -0.00 0.00 1.28 0.00 0.00 41.25 41.13 2py1 s ASN 113 CO 0.01 0.27 -0.19 0.42 -2.04 0.00 0.00 177.10 175.58 2py1 s THR 114 N -1.08 2.46 -0.11 0.54 -4.23 -1.21 -4.29 115.64 107.72 2py1 s THR 114 Ca 0.19 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 2py1 s THR 114 Cb -0.11 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.77 2py1 s THR 114 CO 0.10 0.54 0.25 0.00 -0.54 0.00 0.00 174.62 174.97 2py1 s MET 115 N 0.52 0.23 -0.19 3.99 0.23 -1.21 -3.16 119.30 119.71 2py1 s MET 115 Ca -0.12 0.50 -0.02 0.00 -1.03 0.00 0.00 55.69 55.02 2py1 s MET 115 Cb -0.16 -0.06 -0.01 0.00 -1.53 0.00 0.00 34.83 33.07 2py1 s MET 115 CO 0.05 -0.14 -0.08 -0.08 -2.03 0.00 0.00 175.02 172.74 2py1 s THR 116 N 1.03 3.16 -0.22 3.16 -1.32 -1.26 -1.01 115.64 119.18 2py1 s THR 116 Ca -0.07 -0.58 -0.02 0.00 -1.21 0.00 0.00 61.69 59.80 2py1 s THR 116 Cb -0.08 -2.40 0.07 0.00 -1.51 0.00 0.00 72.50 68.57 2py1 s THR 116 CO -0.07 0.46 0.05 -0.22 -2.21 0.00 0.00 174.62 172.63 2py1 s LEU 117 N 1.16 1.39 0.00 9.08 2.96 -1.07 -4.56 118.68 127.64 2py1 s LEU 117 Ca 0.02 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2py1 s LEU 117 Cb -0.14 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.89 2py1 s LEU 117 CO -0.02 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2py1 n GLY 118 N 5.01 1.93 0.00 7.98 0.00 -1.26 -3.38 105.19 115.47 2py1 n GLY 118 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2py1 n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2py1 n ASP 119 N 1.52 0.00 -4.68 1.61 -0.08 -1.26 -5.12 116.55 108.54 2py1 n ASP 119 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 2py1 n ASP 119 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2py1 s ILE 120 N 0.00 4.96 -0.15 5.18 1.01 -1.22 -5.03 121.20 125.95 2py1 s ILE 120 Ca 0.00 1.47 -0.17 0.00 0.00 0.00 0.00 60.65 61.95 2py1 s ILE 120 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2py1 s ILE 120 CO 0.00 0.11 0.45 0.54 0.00 0.00 0.00 174.94 176.04 2py1 s VAL 121 N 1.69 5.19 -0.17 2.92 0.11 -1.26 -2.60 120.40 126.29 2py1 s VAL 121 Ca 0.36 0.85 -0.08 0.00 -2.93 0.00 0.00 61.98 60.19 2py1 s VAL 121 Cb -0.17 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 2py1 s VAL 121 CO 0.14 0.29 0.09 0.12 -3.33 0.00 0.00 175.10 172.41 2py1 s PHE 122 N 0.90 3.36 -0.01 1.54 2.19 -0.18 -4.91 117.98 120.88 2py1 s PHE 122 Ca 0.23 0.26 0.02 0.00 0.33 0.00 0.00 56.93 57.76 2py1 s PHE 122 Cb -0.15 -2.05 -0.00 0.00 -1.31 0.00 0.00 43.02 39.51 2py1 s PHE 122 CO 0.09 0.35 -0.06 -1.59 1.83 0.00 0.00 175.22 175.84 2py1 s LYS 123 N -0.04 0.50 -0.02 10.12 -2.85 -1.25 -3.31 119.74 122.89 2py1 s LYS 123 Ca 0.08 -0.19 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 2py1 s LYS 123 Cb -0.12 -0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 35.16 2py1 s LYS 123 CO 0.00 0.10 -0.14 -0.98 0.10 0.00 0.00 175.35 174.44 2py1 s ARG 124 N -0.02 1.30 -0.29 1.78 1.70 -1.26 -2.03 118.95 120.14 2py1 s ARG 124 Ca 0.01 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.65 2py1 s ARG 124 Cb -0.04 -1.21 -0.04 0.00 -0.57 0.00 0.00 34.95 33.10 2py1 s ARG 124 CO -0.00 0.25 0.25 0.42 -1.08 0.00 0.00 175.30 175.13 2py1 s ILE 125 N -0.11 5.27 -0.12 4.99 1.01 -1.14 -4.28 121.20 126.82 2py1 s ILE 125 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2py1 s ILE 125 Cb -0.08 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2py1 s ILE 125 CO 0.00 0.16 -0.11 -0.44 0.00 0.00 0.00 174.94 174.56 2py1 s SER 126 N 1.73 2.29 0.18 3.58 0.01 -1.26 -1.86 113.70 118.37 2py1 s SER 126 Ca 0.09 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.06 2py1 s SER 126 Cb -0.16 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 2py1 s SER 126 CO 0.11 -0.07 0.01 -1.59 0.41 0.00 0.00 173.24 172.11 2py1 s LYS 127 N 1.45 2.43 0.21 12.44 0.00 -1.26 -2.38 119.74 132.63 2py1 s LYS 127 Ca 0.01 -1.12 -0.30 0.00 0.00 0.00 0.00 55.97 54.57 2py1 s LYS 127 Cb -0.13 -2.36 -0.09 0.00 0.00 0.00 0.00 37.83 35.24 2py1 s LYS 127 CO -0.07 0.45 1.38 0.50 0.00 0.00 0.00 175.35 177.61 2py1 s ARG 128 N -3.02 4.32 0.00 1.78 3.52 -0.89 -4.18 118.95 120.48 2py1 s ARG 128 Ca 0.28 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2py1 s ARG 128 Cb -0.09 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2py1 s ARG 128 CO 0.19 -0.36 0.20 0.44 -0.81 0.00 0.00 175.30 174.97