#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 -0.86 0.49 1.61 0.01 -1.26 -5.08 113.70 108.61 2py1 s SER 2 Ca 0.00 -0.73 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 2py1 s SER 2 Cb 0.00 1.11 -0.07 0.00 0.21 0.00 0.00 66.02 67.27 2py1 s SER 2 CO 0.00 -0.06 1.09 -0.04 0.41 0.00 0.00 173.24 174.64 2py1 s MET 3 N 1.41 3.69 -0.23 12.44 1.00 -1.26 -4.44 119.30 131.90 2py1 s MET 3 Ca 0.21 1.53 -0.02 0.00 0.00 0.00 0.00 55.69 57.41 2py1 s MET 3 Cb 0.03 -2.17 0.01 0.00 0.00 0.00 0.00 34.83 32.70 2py1 s MET 3 CO -0.10 -0.55 0.05 -1.13 0.00 0.00 0.00 175.02 173.29 2py1 n SER 4 N -0.89 -6.43 -3.15 3.03 3.41 -1.26 -5.04 113.62 103.29 2py1 n SER 4 Ca 0.09 1.26 0.01 0.00 -0.26 0.00 0.00 58.87 59.96 2py1 n SER 4 Cb 0.51 -4.63 -0.01 0.00 -0.26 0.00 0.00 64.21 59.82 2py1 n SER 4 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2py1 s PHE 5 N -1.30 -1.67 -0.58 7.33 0.08 -1.26 -5.10 117.98 115.48 2py1 s PHE 5 Ca -0.05 0.18 -0.27 0.00 0.12 0.00 0.00 56.93 56.91 2py1 s PHE 5 Cb 0.00 0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.75 2py1 s PHE 5 CO 0.64 -1.15 1.79 0.45 -0.10 0.00 0.00 175.22 176.86 2py1 s SER 6 N 1.77 5.44 0.09 1.36 0.15 -1.26 -4.89 113.70 116.37 2py1 s SER 6 Ca 0.17 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.27 2py1 s SER 6 Cb -0.03 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2py1 s SER 6 CO -0.07 -2.23 -0.12 -0.83 1.20 0.00 0.00 173.24 171.19 2py1 s GLY 7 N 7.39 0.88 -0.14 9.45 0.00 -1.26 -4.99 107.32 118.66 2py1 s GLY 7 Ca 0.66 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 2py1 s GLY 7 CO 0.22 -1.19 0.09 1.25 0.00 0.00 0.00 173.10 173.47 2py1 s LYS 8 N -2.42 3.59 0.01 2.90 2.20 -1.26 -4.07 119.74 120.69 2py1 s LYS 8 Ca 0.03 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2py1 s LYS 8 Cb -0.06 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2py1 s LYS 8 CO 0.01 0.57 -0.04 0.71 -0.36 0.00 0.00 175.35 176.24 2py1 s TYR 9 N -0.45 0.34 -0.14 4.03 2.02 -1.26 -4.61 117.35 117.28 2py1 s TYR 9 Ca 0.11 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2py1 s TYR 9 Cb -0.12 -0.21 -0.02 0.00 -0.40 0.00 0.00 41.96 41.21 2py1 s TYR 9 CO 0.02 -0.07 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.70 2py1 s GLN 10 N -0.74 3.49 0.59 -0.62 0.74 -1.26 -3.91 119.66 117.96 2py1 s GLN 10 Ca -0.06 -0.62 -0.19 0.00 0.05 0.00 0.00 55.36 54.54 2py1 s GLN 10 Cb -0.05 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.26 2py1 s GLN 10 CO -0.00 0.22 1.04 1.47 -0.55 0.00 0.00 175.29 177.46 2py1 n LEU 11 N 3.55 4.02 0.17 3.68 -0.00 -1.11 -4.12 117.00 123.20 2py1 n LEU 11 Ca -0.18 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 2py1 n LEU 11 Cb 0.53 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2py1 n LEU 11 CO 0.31 -1.63 0.00 0.00 -0.00 0.00 0.00 177.39 176.07 2py1 n GLN 12 N -1.02 0.00 -3.44 1.47 1.13 -1.13 -4.92 117.38 109.46 2py1 n GLN 12 Ca 0.13 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.82 2py1 n GLN 12 Cb 0.47 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.74 2py1 n GLN 12 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2py1 s SER 13 N -4.12 6.41 0.01 1.08 0.01 -0.85 -5.04 113.70 111.20 2py1 s SER 13 Ca 0.00 0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.70 2py1 s SER 13 Cb 0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 2py1 s SER 13 CO 0.00 -0.02 0.05 0.00 0.41 0.00 0.00 173.24 173.67 2py1 s GLN 14 N 1.09 0.40 -0.16 12.44 0.00 -1.26 -1.02 119.66 131.15 2py1 s GLN 14 Ca 0.17 -0.53 -0.00 0.00 -0.00 0.00 0.00 55.36 55.00 2py1 s GLN 14 Cb -0.14 0.15 0.04 0.00 0.00 0.00 0.00 33.01 33.06 2py1 s GLN 14 CO 0.07 -0.08 -0.08 -1.21 0.00 0.00 0.00 175.29 173.98 2py1 s GLU 15 N -1.50 1.72 -0.92 9.60 0.41 -1.25 -4.85 118.70 121.92 2py1 s GLU 15 Ca -0.15 -0.55 -0.09 0.00 -0.41 0.00 0.00 54.97 53.77 2py1 s GLU 15 Cb -0.09 -2.04 0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2py1 s GLU 15 CO -0.00 -0.37 0.66 0.09 -0.49 0.00 0.00 175.26 175.15 2py1 n ASN 16 N 4.83 -5.33 0.09 -0.19 3.02 -1.26 -4.40 115.26 112.01 2py1 n ASN 16 Ca -0.13 -0.87 -0.19 0.00 -0.03 0.00 0.00 54.58 53.35 2py1 n ASN 16 Cb 0.48 -2.56 -0.11 0.00 -0.61 0.00 0.00 39.78 36.98 2py1 n ASN 16 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2py1 h PHE 17 N -0.77 0.81 0.00 3.10 -5.15 -1.93 -3.17 116.94 109.82 2py1 h PHE 17 Ca -0.54 -0.50 -0.03 0.00 -0.20 0.00 0.00 57.97 56.69 2py1 h PHE 17 Cb 1.33 -0.07 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 2py1 h PHE 17 CO 0.26 1.35 -0.13 1.05 -2.00 0.00 0.00 178.31 178.85 2py1 h GLU 18 N 0.23 0.00 -1.01 6.09 4.11 -1.96 -2.70 114.58 119.34 2py1 h GLU 18 Ca -0.15 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.43 2py1 h GLU 18 Cb 1.84 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.00 2py1 h GLU 18 CO 0.21 0.13 0.63 0.00 0.07 0.00 0.00 179.01 180.05 2py1 h ALA 19 N 1.87 1.58 -0.25 1.06 0.00 -1.91 0.43 119.26 122.04 2py1 h ALA 19 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2py1 h ALA 19 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2py1 h ALA 19 CO 0.02 0.12 -0.11 0.35 0.00 0.00 0.00 179.25 179.63 2py1 h PHE 20 N 0.91 0.44 0.02 0.00 3.57 -1.64 -0.72 116.94 119.52 2py1 h PHE 20 Ca 0.53 -0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.73 2py1 h PHE 20 Cb 0.65 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.29 2py1 h PHE 20 CO -0.00 0.52 -0.96 0.52 -2.23 0.00 0.00 178.31 176.16 2py1 h MET 21 N 0.39 0.61 0.00 1.11 2.86 -0.57 -3.15 114.93 116.18 2py1 h MET 21 Ca 0.08 -0.69 -0.05 0.00 -2.06 0.00 0.00 59.70 56.98 2py1 h MET 21 Cb 0.44 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2py1 h MET 21 CO 0.02 1.28 -0.22 0.87 1.06 0.00 0.00 176.91 179.92 2py1 h LYS 22 N 0.24 0.00 -0.25 1.72 1.57 -0.12 0.72 116.57 120.44 2py1 h LYS 22 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2py1 h LYS 22 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 2py1 h LYS 22 CO 0.19 0.22 0.16 0.00 -0.57 0.00 0.00 179.45 179.45 2py1 h ALA 23 N 1.78 0.31 0.00 3.86 0.00 -1.09 -2.41 119.26 121.71 2py1 h ALA 23 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2py1 h ALA 23 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2py1 h ALA 23 CO 0.03 -0.20 -0.69 -0.84 0.00 0.00 0.00 179.25 177.54 2py1 h ILE 24 N 0.33 0.69 -0.48 0.00 -0.00 -1.44 -3.46 117.51 113.14 2py1 h ILE 24 Ca 0.09 -2.04 0.00 0.00 -0.00 0.00 0.00 64.86 62.91 2py1 h ILE 24 Cb -0.02 2.27 0.00 0.00 -0.00 0.00 0.00 36.82 39.07 2py1 h ILE 24 CO -0.02 0.39 0.00 0.61 -0.00 0.00 0.00 178.15 179.13 2py1 n GLY 25 N 1.25 0.89 3.88 0.16 0.00 0.20 -5.10 105.19 106.47 2py1 n GLY 25 Ca -0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.48 4.16 0.88 0.99 2.96 0.14 -4.96 118.68 122.38 2py1 s LEU 26 Ca 0.00 0.88 -0.12 0.00 -0.22 0.00 0.00 54.13 54.67 2py1 s LEU 26 Cb 0.00 -3.64 0.12 0.00 0.50 0.00 0.00 46.19 43.17 2py1 s LEU 26 CO 0.00 -0.08 1.13 -2.16 -1.32 0.00 0.00 176.35 173.92 2py1 s PRO 27 N -2.87 1.36 0.17 0.98 0.04 -1.26 -4.69 135.00 128.73 2py1 s PRO 27 Ca 0.47 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.88 2py1 s PRO 27 Cb -0.11 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2py1 s PRO 27 CO 0.22 -2.07 1.41 1.49 0.04 0.00 0.00 177.00 178.09 2py1 h GLU 28 N -1.40 0.28 -0.16 4.56 4.81 -1.98 -0.99 114.58 119.69 2py1 h GLU 28 Ca -0.50 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.47 2py1 h GLU 28 Cb 1.32 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2py1 h GLU 28 CO 0.61 0.95 0.10 1.49 -0.73 0.00 0.00 179.01 181.43 2py1 h GLU 29 N 0.17 0.22 -0.17 1.92 4.81 -1.97 1.36 114.58 120.91 2py1 h GLU 29 Ca -0.04 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2py1 h GLU 29 Cb 1.41 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 2py1 h GLU 29 CO 0.13 0.18 -0.59 -0.07 -0.73 0.00 0.00 179.01 177.93 2py1 h LEU 30 N 0.19 0.63 -0.39 1.64 3.38 -1.95 -0.63 115.31 118.19 2py1 h LEU 30 Ca 0.06 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 2py1 h LEU 30 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2py1 h LEU 30 CO -0.01 1.08 0.00 0.40 0.09 0.00 0.00 178.44 180.00 2py1 h ILE 31 N 0.42 1.26 0.00 1.22 2.04 -0.79 -0.32 117.51 121.34 2py1 h ILE 31 Ca -0.00 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 2py1 h ILE 31 Cb 1.14 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2py1 h ILE 31 CO 0.11 0.34 -0.31 -0.61 0.00 0.00 0.00 178.15 177.68 2py1 h GLN 32 N 0.51 0.00 0.09 2.37 4.15 0.19 -3.05 115.11 119.37 2py1 h GLN 32 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 2py1 h GLN 32 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2py1 h GLN 32 CO 0.02 0.31 -0.05 -0.22 -1.93 0.00 0.00 178.83 176.96 2py1 h LYS 33 N 0.00 -0.12 -0.59 1.69 3.64 -0.65 -2.78 116.57 117.76 2py1 h LYS 33 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2py1 h LYS 33 Cb 0.70 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 2py1 h LYS 33 CO 0.04 0.37 -0.53 0.78 -2.27 0.00 0.00 179.45 177.84 2py1 h GLY 34 N -0.70 -1.04 1.37 5.01 0.00 -0.97 1.44 103.07 108.18 2py1 h GLY 34 Ca -0.01 0.77 0.06 0.00 0.00 0.00 0.00 47.33 48.15 2py1 h GLY 34 CO 0.02 -0.11 0.25 0.07 0.00 0.00 0.00 176.54 176.77 2py1 h LYS 35 N -0.23 0.00 0.00 4.80 2.10 -1.63 1.43 116.57 123.04 2py1 h LYS 35 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2py1 h LYS 35 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2py1 h LYS 35 CO -0.68 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.30 2py1 n ASP 36 N -3.72 0.00 -4.18 7.07 -0.08 0.48 -4.58 116.55 111.54 2py1 n ASP 36 Ca 0.02 0.49 -0.33 0.00 -1.51 0.00 0.00 54.79 53.47 2py1 n ASP 36 Cb 0.38 -0.50 -0.16 0.00 2.34 0.00 0.00 41.12 43.18 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 -2.99 2.24 -1.12 5.18 1.01 0.49 -5.04 121.20 120.96 2py1 s ILE 37 Ca 0.11 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 2py1 s ILE 37 Cb 0.15 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2py1 s ILE 37 CO 0.42 0.53 1.80 -0.54 0.00 0.00 0.00 174.94 177.15 2py1 s LYS 38 N 1.02 3.09 0.09 2.79 1.02 -1.26 -4.88 119.74 121.61 2py1 s LYS 38 Ca -0.02 -1.17 -0.36 0.00 0.02 0.00 0.00 55.97 54.44 2py1 s LYS 38 Cb -0.15 -5.30 -0.16 0.00 -0.52 0.00 0.00 37.83 31.70 2py1 s LYS 38 CO -0.06 -3.08 1.40 0.41 -0.92 0.00 0.00 175.35 173.10 2py1 n GLY 39 N 6.14 0.61 3.22 -3.33 0.00 -1.26 -4.72 105.19 105.85 2py1 n GLY 39 Ca 0.43 0.70 -0.20 0.00 0.00 0.00 0.00 46.02 46.95 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 0.64 1.32 -0.21 1.61 1.01 -1.26 -2.74 120.40 120.77 2py1 s VAL 40 Ca 0.84 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2py1 s VAL 40 Cb -0.90 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 34.23 2py1 s VAL 40 CO 0.45 -0.23 0.00 -0.94 0.00 0.00 0.00 175.10 174.39 2py1 s SER 41 N -1.96 3.22 -0.10 3.32 1.04 -1.25 -4.48 113.70 113.49 2py1 s SER 41 Ca 0.03 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 2py1 s SER 41 Cb -0.09 -0.81 -0.05 0.00 0.10 0.00 0.00 66.02 65.18 2py1 s SER 41 CO 0.03 -0.28 0.36 -1.61 0.98 0.00 0.00 173.24 172.73 2py1 s GLU 42 N 1.69 4.13 -0.18 4.02 2.02 -1.26 -4.44 118.70 124.68 2py1 s GLU 42 Ca -0.03 0.26 -0.05 0.00 0.02 0.00 0.00 54.97 55.17 2py1 s GLU 42 Cb -0.18 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 2py1 s GLU 42 CO -0.07 0.38 -0.00 0.42 0.02 0.00 0.00 175.26 176.01 2py1 s ILE 43 N -0.03 4.10 -0.10 -1.63 1.01 -1.26 -4.22 121.20 119.08 2py1 s ILE 43 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2py1 s ILE 43 Cb -0.14 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2py1 s ILE 43 CO 0.08 0.46 -0.19 -0.69 0.00 0.00 0.00 174.94 174.60 2py1 s VAL 44 N 0.63 2.57 -0.03 2.92 1.01 -0.81 -4.11 120.40 122.58 2py1 s VAL 44 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2py1 s VAL 44 Cb -0.14 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2py1 s VAL 44 CO 0.02 0.55 -0.05 -1.58 0.00 0.00 0.00 175.10 174.05 2py1 s GLN 45 N 0.15 0.68 -0.27 2.72 -0.44 -1.26 0.51 119.66 121.75 2py1 s GLN 45 Ca -0.10 -0.12 -0.25 0.00 -2.50 0.00 0.00 55.36 52.39 2py1 s GLN 45 Cb -0.16 -0.69 0.09 0.00 -1.64 0.00 0.00 33.01 30.61 2py1 s GLN 45 CO 0.06 -0.02 0.83 -0.80 0.50 0.00 0.00 175.29 175.86 2py1 s ASN 46 N 0.59 -0.65 -0.96 6.67 0.01 0.19 -4.92 114.94 115.87 2py1 s ASN 46 Ca -0.07 1.24 -0.12 0.00 -0.71 0.00 0.00 52.86 53.20 2py1 s ASN 46 Cb -0.11 1.26 0.12 0.00 0.41 0.00 0.00 41.25 42.93 2py1 s ASN 46 CO -0.00 -0.21 0.31 0.61 -1.51 0.00 0.00 177.10 176.29 2py1 n GLY 47 N 2.58 -0.45 2.77 0.66 0.00 -1.26 0.18 105.19 109.67 2py1 n GLY 47 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.29 0.00 -2.24 1.61 5.02 -1.26 -4.96 118.16 113.03 2py1 n LYS 48 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2py1 n LYS 48 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 2py1 n LYS 48 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2py1 s HIS 49 N -0.30 3.29 0.14 2.13 3.76 0.49 -4.43 115.29 120.36 2py1 s HIS 49 Ca 0.00 1.18 0.04 0.00 -0.15 0.00 0.00 55.06 56.13 2py1 s HIS 49 Cb 0.00 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 2py1 s HIS 49 CO 0.00 -1.89 0.12 -0.06 -0.85 0.00 0.00 174.74 172.06 2py1 s PHE 50 N 0.46 3.16 -0.07 1.40 0.40 0.56 0.53 117.98 124.43 2py1 s PHE 50 Ca 0.59 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2py1 s PHE 50 Cb -0.35 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2py1 s PHE 50 CO 0.35 0.52 -0.11 0.21 0.70 0.00 0.00 175.22 176.88 2py1 s LYS 51 N -2.89 2.69 0.06 0.44 2.20 0.18 -0.10 119.74 122.31 2py1 s LYS 51 Ca 0.30 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 2py1 s LYS 51 Cb -0.11 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2py1 s LYS 51 CO 0.23 0.59 -0.03 -0.06 -0.36 0.00 0.00 175.35 175.72 2py1 s PHE 52 N -0.64 2.94 -0.00 4.03 0.08 -1.05 -1.93 117.98 121.41 2py1 s PHE 52 Ca 0.09 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.12 2py1 s PHE 52 Cb -0.11 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.78 2py1 s PHE 52 CO 0.01 0.44 -0.04 0.99 -0.10 0.00 0.00 175.22 176.53 2py1 s THR 53 N -1.18 0.31 -0.22 0.64 2.01 -1.26 -3.81 115.64 112.13 2py1 s THR 53 Ca 0.22 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2py1 s THR 53 Cb -0.11 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 2py1 s THR 53 CO 0.14 0.09 0.00 -0.63 -0.69 0.00 0.00 174.62 173.53 2py1 s ILE 54 N -0.04 3.88 -0.61 1.82 -1.09 -1.23 -4.59 121.20 119.33 2py1 s ILE 54 Ca 0.01 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2py1 s ILE 54 Cb -0.02 -2.77 0.40 0.00 -1.58 0.00 0.00 42.46 38.48 2py1 s ILE 54 CO -0.00 0.41 1.57 0.41 -1.23 0.00 0.00 174.94 176.09 2py1 n THR 55 N 4.56 2.99 -2.86 2.92 -1.04 -1.26 -3.94 114.28 115.65 2py1 n THR 55 Ca -0.17 -4.44 -0.43 0.00 -2.04 0.00 0.00 64.05 56.97 2py1 n THR 55 Cb 0.51 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 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 -3.79 3.15 0.00 2.41 0.00 -1.02 -4.70 121.76 117.82 2py1 s ALA 56 Ca 0.51 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2py1 s ALA 56 Cb 0.43 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2py1 s ALA 56 CO -0.25 -2.85 0.00 0.41 0.00 0.00 0.00 175.76 173.07 2py1 n GLY 57 N 5.42 1.08 0.31 0.00 0.00 -1.26 0.56 105.19 111.29 2py1 n GLY 57 Ca 0.03 0.52 0.05 0.00 0.00 0.00 0.00 46.02 46.62 2py1 n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2py1 n SER 58 N 9.46 1.52 -4.66 1.61 2.88 -1.26 -4.95 113.62 118.22 2py1 n SER 58 Ca 0.00 -1.26 -0.40 0.00 -1.33 0.00 0.00 58.87 55.88 2py1 n SER 58 Cb 0.00 0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.61 2py1 n SER 58 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2py1 s LYS 59 N -1.00 4.22 0.12 -1.46 2.20 0.19 -5.05 119.74 118.96 2py1 s LYS 59 Ca 0.10 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 2py1 s LYS 59 Cb 0.08 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2py1 s LYS 59 CO 0.17 -0.29 -0.15 0.08 -0.36 0.00 0.00 175.35 174.79 2py1 s VAL 60 N 2.06 1.40 -0.02 4.02 1.01 -1.26 -2.42 120.40 125.19 2py1 s VAL 60 Ca 0.31 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2py1 s VAL 60 Cb -0.16 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.75 2py1 s VAL 60 CO 0.10 -0.32 -0.00 -0.63 0.00 0.00 0.00 175.10 174.25 2py1 s ILE 61 N -1.85 0.14 -0.19 2.22 1.01 -1.25 -4.93 121.20 116.35 2py1 s ILE 61 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2py1 s ILE 61 Cb -0.07 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.23 2py1 s ILE 61 CO 0.03 0.10 -0.18 0.00 0.00 0.00 0.00 174.94 174.89 2py1 s GLN 62 N 0.66 2.84 0.09 2.79 -2.07 -1.26 -3.49 119.66 119.21 2py1 s GLN 62 Ca -0.06 -0.88 -0.21 0.00 -1.82 0.00 0.00 55.36 52.39 2py1 s GLN 62 Cb -0.09 -2.58 0.05 0.00 -1.09 0.00 0.00 33.01 29.29 2py1 s GLN 62 CO -0.01 -0.26 0.50 0.54 -1.32 0.00 0.00 175.29 174.74 2py1 s ASN 63 N 1.28 -0.41 0.10 12.60 4.22 -1.25 -5.08 114.94 126.39 2py1 s ASN 63 Ca 0.03 0.00 0.06 0.00 -2.14 0.00 0.00 52.86 50.81 2py1 s ASN 63 Cb -0.14 0.51 -0.04 0.00 1.28 0.00 0.00 41.25 42.86 2py1 s ASN 63 CO -0.12 -0.81 -0.07 -1.83 -2.04 0.00 0.00 177.10 172.23 2py1 s GLU 64 N -3.11 2.27 0.06 3.55 -1.05 -1.26 -2.54 118.70 116.62 2py1 s GLU 64 Ca -0.02 -0.96 0.02 0.00 -0.15 0.00 0.00 54.97 53.86 2py1 s GLU 64 Cb -0.00 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.27 2py1 s GLU 64 CO -0.07 0.52 -0.06 0.12 0.95 0.00 0.00 175.26 176.72 2py1 s PHE 65 N -1.24 0.70 0.15 4.83 2.19 0.86 -4.99 117.98 120.49 2py1 s PHE 65 Ca 0.23 -0.71 0.10 0.00 0.33 0.00 0.00 56.93 56.87 2py1 s PHE 65 Cb -0.11 -0.42 -0.04 0.00 -1.31 0.00 0.00 43.02 41.13 2py1 s PHE 65 CO 0.15 -0.15 -0.17 0.99 1.83 0.00 0.00 175.22 177.87 2py1 s THR 66 N -2.48 2.82 0.86 0.12 2.01 -1.26 -0.32 115.64 117.39 2py1 s THR 66 Ca -0.01 -1.68 -0.11 0.00 0.31 0.00 0.00 61.69 60.21 2py1 s THR 66 Cb -0.03 -2.34 0.11 0.00 0.01 0.00 0.00 72.50 70.25 2py1 s THR 66 CO -0.03 -0.02 1.10 0.54 -0.69 0.00 0.00 174.62 175.53 2py1 s VAL 67 N -1.44 2.78 0.00 3.82 0.11 -1.26 -2.77 120.40 121.64 2py1 s VAL 67 Ca 0.21 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2py1 s VAL 67 Cb -0.09 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2py1 s VAL 67 CO 0.11 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2py1 n GLY 68 N -0.71 -0.41 3.15 6.54 0.00 -1.10 -4.84 105.19 107.83 2py1 n GLY 68 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2py1 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2py1 s GLU 69 N -4.26 1.85 -0.46 1.61 2.12 -1.11 -5.00 118.70 113.45 2py1 s GLU 69 Ca 0.00 -0.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.49 2py1 s GLU 69 Cb 0.00 -1.62 0.04 0.00 0.26 0.00 0.00 34.13 32.81 2py1 s GLU 69 CO 0.00 0.27 0.57 -2.00 -0.54 0.00 0.00 175.26 173.56 2py1 s GLU 70 N -0.02 3.15 0.54 4.30 2.12 -1.26 -4.10 118.70 123.43 2py1 s GLU 70 Ca -0.03 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.62 2py1 s GLU 70 Cb -0.11 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.29 2py1 s GLU 70 CO 0.02 -1.06 0.40 0.00 -0.54 0.00 0.00 175.26 174.09 2py1 s GLU 72 N -4.28 2.70 -0.05 0.00 -1.05 -1.26 0.12 118.70 114.88 2py1 s GLU 72 Ca 0.34 -0.76 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 2py1 s GLU 72 Cb -0.02 -2.07 -0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2py1 s GLU 72 CO 0.21 0.13 -0.18 -0.48 0.95 0.00 0.00 175.26 175.89 2py1 s LEU 73 N 0.45 1.91 -0.30 1.83 0.05 -0.66 -4.94 118.68 117.03 2py1 s LEU 73 Ca -0.17 -0.37 -0.29 0.00 0.05 0.00 0.00 54.13 53.35 2py1 s LEU 73 Cb -0.17 -1.02 0.00 0.00 -2.05 0.00 0.00 46.19 42.95 2py1 s LEU 73 CO 0.07 0.15 1.29 -0.70 -0.55 0.00 0.00 176.35 176.61 2py1 s GLU 74 N 0.10 3.92 0.00 1.48 2.12 -1.26 -3.07 118.70 121.98 2py1 s GLU 74 Ca -0.06 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.50 2py1 s GLU 74 Cb -0.12 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2py1 s GLU 74 CO 0.03 -1.11 0.00 0.25 -0.54 0.00 0.00 175.26 173.88 2py1 n THR 75 N 6.20 0.00 0.91 -1.70 -2.24 0.22 -4.87 114.28 112.80 2py1 n THR 75 Ca 0.15 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 2py1 n THR 75 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 2py1 n THR 75 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2py1 n MET 76 N -1.52 0.06 -0.11 -0.78 0.00 -1.26 -3.99 117.12 109.52 2py1 n MET 76 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 57.70 57.80 2py1 n MET 76 Cb 0.00 -1.51 0.24 0.00 0.00 0.00 0.00 33.22 31.95 2py1 n MET 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2py1 n THR 77 N -1.58 0.28 -1.34 3.17 -1.04 -1.26 -4.95 114.28 107.55 2py1 n THR 77 Ca 0.04 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 2py1 n THR 77 Cb 0.35 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 2py1 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2py1 n GLY 78 N 1.37 0.84 3.12 3.41 0.00 -1.26 -5.10 105.19 107.58 2py1 n GLY 78 Ca 0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2py1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2py1 s GLU 79 N -2.90 0.28 -0.34 1.61 0.41 -1.26 -4.96 118.70 111.55 2py1 s GLU 79 Ca 0.00 0.32 -0.10 0.00 -0.41 0.00 0.00 54.97 54.79 2py1 s GLU 79 Cb 0.00 0.14 0.01 0.00 -1.78 0.00 0.00 34.13 32.50 2py1 s GLU 79 CO 0.00 -0.03 0.16 -1.59 -0.49 0.00 0.00 175.26 173.31 2py1 s LYS 80 N 0.11 3.05 0.16 1.61 -2.85 -1.26 0.71 119.74 121.26 2py1 s LYS 80 Ca -0.00 -0.91 0.11 0.00 -1.00 0.00 0.00 55.97 54.16 2py1 s LYS 80 Cb -0.02 -3.60 -0.04 0.00 -2.06 0.00 0.00 37.83 32.11 2py1 s LYS 80 CO 0.00 -0.55 -0.25 0.14 0.10 0.00 0.00 175.35 174.80 2py1 s VAL 81 N 1.56 2.23 -0.38 1.79 -7.23 -1.17 -4.96 120.40 112.24 2py1 s VAL 81 Ca 0.03 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 2py1 s VAL 81 Cb -0.18 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2py1 s VAL 81 CO 0.06 -0.04 0.55 -0.54 -0.31 0.00 0.00 175.10 174.82 2py1 s LYS 82 N -2.36 3.50 0.10 4.82 3.01 -1.26 -1.65 119.74 125.89 2py1 s LYS 82 Ca 0.17 -0.25 0.03 0.00 -1.01 0.00 0.00 55.97 54.91 2py1 s LYS 82 Cb -0.09 -3.86 -0.04 0.00 -1.01 0.00 0.00 37.83 32.84 2py1 s LYS 82 CO 0.08 -0.75 0.11 0.99 0.51 0.00 0.00 175.35 176.29 2py1 s THR 83 N 2.49 4.64 -0.02 2.17 2.01 0.33 -4.51 115.64 122.76 2py1 s THR 83 Ca 0.19 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2py1 s THR 83 Cb -0.15 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2py1 s THR 83 CO 0.15 0.06 0.02 0.54 -0.69 0.00 0.00 174.62 174.70 2py1 s VAL 84 N -1.50 0.01 -0.21 3.82 0.11 -1.23 -0.50 120.40 120.90 2py1 s VAL 84 Ca 0.30 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 2py1 s VAL 84 Cb -0.12 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 2py1 s VAL 84 CO 0.23 0.08 0.04 -0.69 -3.33 0.00 0.00 175.10 171.43 2py1 s VAL 85 N 0.78 4.31 -0.05 2.04 1.01 -1.26 -3.06 120.40 124.17 2py1 s VAL 85 Ca -0.07 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2py1 s VAL 85 Cb -0.10 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2py1 s VAL 85 CO -0.02 0.41 -0.12 -1.58 0.00 0.00 0.00 175.10 173.79 2py1 s GLN 86 N 1.00 2.57 -0.22 2.72 0.74 0.55 -2.71 119.66 124.31 2py1 s GLN 86 Ca 0.03 -0.65 -0.05 0.00 0.05 0.00 0.00 55.36 54.73 2py1 s GLN 86 Cb -0.14 -2.44 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 2py1 s GLN 86 CO 0.02 0.64 0.01 -0.48 -0.55 0.00 0.00 175.29 174.93 2py1 s LEU 87 N -0.78 3.21 -0.29 3.68 0.05 -1.26 0.19 118.68 123.48 2py1 s LEU 87 Ca 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 54.13 54.03 2py1 s LEU 87 Cb -0.11 -1.83 0.13 0.00 -2.05 0.00 0.00 46.19 42.33 2py1 s LEU 87 CO 0.01 0.00 0.27 -1.61 -0.55 0.00 0.00 176.35 174.48 2py1 s GLU 88 N 1.36 0.31 0.00 1.48 2.02 -0.90 -4.99 118.70 117.97 2py1 s GLU 88 Ca 0.04 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2py1 s GLU 88 Cb -0.15 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.37 2py1 s GLU 88 CO 0.01 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.67 2py1 n GLY 89 N 5.30 0.54 0.00 -1.39 0.00 -1.26 -4.35 105.19 104.04 2py1 n GLY 89 Ca -0.03 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 2.12 -2.68 1.61 9.92 -1.26 -4.76 116.55 121.50 2py1 n ASP 90 Ca 0.00 -0.16 -0.06 0.00 -0.53 0.00 0.00 54.79 54.04 2py1 n ASP 90 Cb 0.00 1.38 0.08 0.00 -0.64 0.00 0.00 41.12 41.94 2py1 n ASP 90 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2py1 n ASN 91 N -1.74 -1.65 -3.84 -2.24 6.94 -1.26 -4.64 115.26 106.83 2py1 n ASN 91 Ca -0.01 -2.19 -0.17 0.00 -0.02 0.00 0.00 54.58 52.19 2py1 n ASN 91 Cb 0.25 1.01 -0.16 0.00 -2.36 0.00 0.00 39.78 38.53 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2py1 s LYS 92 N 0.14 0.31 -0.04 -3.83 2.20 -1.26 -2.22 119.74 115.05 2py1 s LYS 92 Ca 0.16 0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 2py1 s LYS 92 Cb 0.29 -0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 2py1 s LYS 92 CO -0.07 -0.10 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.09 2py1 s LEU 93 N 0.85 2.02 -0.21 5.43 1.43 -1.15 -2.12 118.68 124.92 2py1 s LEU 93 Ca -0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2py1 s LEU 93 Cb -0.12 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.95 2py1 s LEU 93 CO -0.01 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 175.97 2py1 s VAL 94 N -0.25 2.36 0.04 -1.59 1.01 0.49 -1.30 120.40 121.16 2py1 s VAL 94 Ca 0.01 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2py1 s VAL 94 Cb -0.11 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2py1 s VAL 94 CO 0.01 0.35 -0.09 0.28 0.00 0.00 0.00 175.10 175.65 2py1 s THR 95 N 1.28 0.70 0.09 3.92 -1.32 -1.26 0.21 115.64 119.26 2py1 s THR 95 Ca 0.01 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 2py1 s THR 95 Cb -0.15 -0.70 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 2py1 s THR 95 CO -0.09 -0.19 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.15 2py1 s THR 96 N -1.03 0.81 -0.07 5.08 2.01 -1.17 -3.23 115.64 118.03 2py1 s THR 96 Ca -0.04 -1.63 -0.03 0.00 0.31 0.00 0.00 61.69 60.29 2py1 s THR 96 Cb -0.08 -1.33 0.04 0.00 0.01 0.00 0.00 72.50 71.14 2py1 s THR 96 CO 0.01 -0.62 0.15 0.72 -0.69 0.00 0.00 174.62 174.19 2py1 s PHE 97 N -2.60 -0.16 0.00 4.92 -0.71 -1.18 -3.55 117.98 114.69 2py1 s PHE 97 Ca 0.05 0.54 0.00 0.00 -1.04 0.00 0.00 56.93 56.48 2py1 s PHE 97 Cb -0.02 -0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2py1 s PHE 97 CO -0.01 -0.22 0.00 1.63 -1.34 0.00 0.00 175.22 175.27 2py1 n LYS 98 N 4.86 0.00 -0.85 1.99 4.01 -1.26 -0.48 118.16 126.42 2py1 n LYS 98 Ca -0.14 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.61 2py1 n LYS 98 Cb 0.51 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.98 2py1 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2py1 n ASN 99 N 1.78 -0.72 -4.60 4.39 2.85 -1.26 -5.11 115.26 112.59 2py1 n ASN 99 Ca 0.00 -1.67 -0.35 0.00 -0.11 0.00 0.00 54.58 52.45 2py1 n ASN 99 Cb 0.00 0.21 -0.10 0.00 1.24 0.00 0.00 39.78 41.13 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2py1 s ILE 100 N 0.00 4.81 -0.19 -1.44 1.01 0.36 -5.07 121.20 120.69 2py1 s ILE 100 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 2py1 s ILE 100 Cb 0.00 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 2py1 s ILE 100 CO 0.00 0.41 0.82 -1.59 0.00 0.00 0.00 174.94 174.58 2py1 s LYS 101 N 0.77 4.27 0.22 2.79 -2.85 -1.26 -3.10 119.74 120.57 2py1 s LYS 101 Ca 0.04 0.98 0.11 0.00 -1.00 0.00 0.00 55.97 56.10 2py1 s LYS 101 Cb -0.13 -3.59 -0.05 0.00 -2.06 0.00 0.00 37.83 32.00 2py1 s LYS 101 CO 0.02 -0.37 -0.21 0.45 0.10 0.00 0.00 175.35 175.34 2py1 s SER 102 N 1.20 3.35 -0.11 0.03 0.15 -1.20 -4.43 113.70 112.69 2py1 s SER 102 Ca 0.37 -0.93 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 2py1 s SER 102 Cb -0.16 -0.25 0.06 0.00 -1.71 0.00 0.00 66.02 63.95 2py1 s SER 102 CO 0.11 0.06 0.22 -0.69 1.20 0.00 0.00 173.24 174.14 2py1 s VAL 103 N -2.06 -0.32 -0.10 4.45 1.01 -1.25 -4.27 120.40 117.85 2py1 s VAL 103 Ca 0.23 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2py1 s VAL 103 Cb -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2py1 s VAL 103 CO 0.11 0.12 0.03 -0.89 0.00 0.00 0.00 175.10 174.47 2py1 s THR 104 N 2.26 4.54 -0.09 3.92 2.01 -0.42 -3.22 115.64 124.64 2py1 s THR 104 Ca 0.01 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2py1 s THR 104 Cb -0.12 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.50 2py1 s THR 104 CO -0.07 0.60 0.21 -0.70 -0.69 0.00 0.00 174.62 173.96 2py1 s GLU 105 N -0.80 0.17 -0.27 4.92 2.12 -1.25 -2.93 118.70 120.67 2py1 s GLU 105 Ca 0.12 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.78 2py1 s GLU 105 Cb -0.12 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 2py1 s GLU 105 CO 0.02 -0.15 0.27 -1.17 -0.54 0.00 0.00 175.26 173.70 2py1 s LEU 106 N 1.10 4.03 -0.18 2.70 1.98 -0.94 -3.75 118.68 123.61 2py1 s LEU 106 Ca -0.08 0.13 -0.04 0.00 -2.89 0.00 0.00 54.13 51.25 2py1 s LEU 106 Cb -0.10 -2.26 0.06 0.00 0.66 0.00 0.00 46.19 44.55 2py1 s LEU 106 CO -0.07 -0.11 0.07 0.21 -1.89 0.00 0.00 176.35 174.57 2py1 s ASN 107 N 1.68 2.58 1.09 3.68 2.47 -1.04 -4.87 114.94 120.54 2py1 s ASN 107 Ca 0.11 -0.71 0.00 0.00 0.42 0.00 0.00 52.86 52.68 2py1 s ASN 107 Cb -0.16 -0.37 0.00 0.00 -1.45 0.00 0.00 41.25 39.27 2py1 s ASN 107 CO 0.10 -0.34 0.00 0.61 -3.72 0.00 0.00 177.10 173.76 2py1 n GLY 108 N 5.19 3.22 1.62 1.21 0.00 -1.26 -0.06 105.19 115.11 2py1 n GLY 108 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2py1 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2py1 n ASP 109 N 4.14 4.40 -4.30 1.61 5.75 -1.26 -4.93 116.55 121.96 2py1 n ASP 109 Ca 0.00 -3.22 -0.27 0.00 -0.01 0.00 0.00 54.79 51.29 2py1 n ASP 109 Cb 0.00 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.27 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2py1 s ILE 110 N -2.97 1.89 -0.05 2.12 1.01 0.91 -3.64 121.20 120.47 2py1 s ILE 110 Ca 0.51 -1.35 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2py1 s ILE 110 Cb 0.41 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 41.26 2py1 s ILE 110 CO 0.11 0.23 -0.06 -0.51 0.00 0.00 0.00 174.94 174.70 2py1 s ILE 111 N -0.86 0.67 -0.10 2.92 2.07 -1.26 -2.50 121.20 122.15 2py1 s ILE 111 Ca 0.09 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2py1 s ILE 111 Cb -0.09 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 2py1 s ILE 111 CO 0.02 0.25 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.30 2py1 s THR 112 N 0.87 3.23 -0.09 4.00 2.01 -1.25 -4.29 115.64 120.11 2py1 s THR 112 Ca -0.12 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.29 2py1 s THR 112 Cb -0.15 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.04 2py1 s THR 112 CO 0.01 0.55 -0.22 0.21 -0.69 0.00 0.00 174.62 174.48 2py1 s ASN 113 N -0.17 2.87 -0.23 3.53 3.84 -1.25 -3.80 114.94 119.73 2py1 s ASN 113 Ca 0.00 -0.52 -0.11 0.00 0.21 0.00 0.00 52.86 52.45 2py1 s ASN 113 Cb -0.13 -1.30 -0.05 0.00 -0.55 0.00 0.00 41.25 39.21 2py1 s ASN 113 CO 0.03 0.14 0.17 0.42 -2.79 0.00 0.00 177.10 175.07 2py1 s THR 114 N 0.38 5.36 -0.11 -5.21 -4.23 -1.20 -3.72 115.64 106.91 2py1 s THR 114 Ca -0.18 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2py1 s THR 114 Cb -0.18 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.21 2py1 s THR 114 CO 0.08 0.36 0.23 -0.04 -0.54 0.00 0.00 174.62 174.70 2py1 s MET 115 N 0.94 0.14 -0.25 3.99 -1.94 -1.14 -3.92 119.30 117.13 2py1 s MET 115 Ca 0.08 0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 54.62 2py1 s MET 115 Cb -0.13 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.59 2py1 s MET 115 CO 0.04 -0.23 -0.01 -0.08 -0.01 0.00 0.00 175.02 174.72 2py1 s THR 116 N 1.86 3.49 -0.14 2.05 -1.32 -1.26 -1.07 115.64 119.25 2py1 s THR 116 Ca -0.03 -0.63 -0.04 0.00 -1.21 0.00 0.00 61.69 59.78 2py1 s THR 116 Cb -0.11 -2.68 0.06 0.00 -1.51 0.00 0.00 72.50 68.26 2py1 s THR 116 CO -0.08 0.29 0.15 -0.22 -2.21 0.00 0.00 174.62 172.55 2py1 s LEU 117 N 1.46 0.04 0.00 9.08 1.98 -0.16 -4.82 118.68 126.26 2py1 s LEU 117 Ca 0.04 -0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 2py1 s LEU 117 Cb -0.15 0.14 0.00 0.00 0.66 0.00 0.00 46.19 46.83 2py1 s LEU 117 CO -0.02 -0.29 0.00 0.61 -1.89 0.00 0.00 176.35 174.76 2py1 n GLY 118 N 5.31 0.44 2.38 7.98 0.00 -1.26 -3.02 105.19 117.02 2py1 n GLY 118 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.89 -3.39 -4.25 1.61 -0.08 -1.26 -4.98 116.55 106.09 2py1 n ASP 119 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 2py1 n ASP 119 Cb 0.33 -1.23 -0.15 0.00 2.34 0.00 0.00 41.12 42.41 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 -1.89 2.88 -0.27 5.18 1.01 -1.17 -5.09 121.20 121.86 2py1 s ILE 120 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2py1 s ILE 120 Cb 0.00 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2py1 s ILE 120 CO 0.00 0.48 0.17 0.54 0.00 0.00 0.00 174.94 176.12 2py1 s VAL 121 N 1.26 5.17 0.11 2.92 0.11 -1.26 -0.99 120.40 127.73 2py1 s VAL 121 Ca 0.03 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.27 2py1 s VAL 121 Cb -0.14 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2py1 s VAL 121 CO -0.05 0.28 -0.08 0.12 -3.33 0.00 0.00 175.10 172.05 2py1 s PHE 122 N 1.58 2.78 0.10 1.54 2.19 -0.23 -4.96 117.98 120.98 2py1 s PHE 122 Ca 0.07 -0.14 0.06 0.00 0.33 0.00 0.00 56.93 57.26 2py1 s PHE 122 Cb -0.15 -1.44 -0.03 0.00 -1.31 0.00 0.00 43.02 40.08 2py1 s PHE 122 CO 0.09 0.45 -0.16 0.15 1.83 0.00 0.00 175.22 177.57 2py1 s LYS 123 N -2.31 0.99 -0.12 10.12 3.01 -1.26 -2.89 119.74 127.27 2py1 s LYS 123 Ca 0.23 -1.12 0.02 0.00 -1.01 0.00 0.00 55.97 54.09 2py1 s LYS 123 Cb -0.11 -1.02 -0.00 0.00 -1.01 0.00 0.00 37.83 35.68 2py1 s LYS 123 CO 0.15 0.22 -0.20 0.50 0.51 0.00 0.00 175.35 176.53 2py1 s ARG 124 N -2.13 3.15 -0.05 1.68 3.52 -1.24 -3.90 118.95 119.98 2py1 s ARG 124 Ca 0.05 -0.81 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 2py1 s ARG 124 Cb -0.08 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2py1 s ARG 124 CO 0.03 0.13 -0.24 0.42 -0.81 0.00 0.00 175.30 174.83 2py1 s ILE 125 N 0.50 2.19 0.03 4.11 1.09 -0.19 -3.96 121.20 124.97 2py1 s ILE 125 Ca -0.13 -1.03 -0.06 0.00 -1.10 0.00 0.00 60.65 58.33 2py1 s ILE 125 Cb -0.17 -1.80 -0.01 0.00 -1.06 0.00 0.00 42.46 39.43 2py1 s ILE 125 CO 0.05 0.57 0.12 -0.44 -0.10 0.00 0.00 174.94 175.14 2py1 s SER 126 N -0.28 0.13 0.35 3.58 0.01 -1.26 -2.01 113.70 114.21 2py1 s SER 126 Ca 0.00 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.89 2py1 s SER 126 Cb -0.13 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 2py1 s SER 126 CO 0.03 -0.49 -0.05 -0.75 0.41 0.00 0.00 173.24 172.38 2py1 s LYS 127 N -2.39 1.80 -0.57 12.44 2.36 -1.26 -4.08 119.74 128.04 2py1 s LYS 127 Ca -0.07 -1.96 -0.26 0.00 -2.55 0.00 0.00 55.97 51.14 2py1 s LYS 127 Cb -0.02 -1.55 -0.05 0.00 -1.05 0.00 0.00 37.83 35.16 2py1 s LYS 127 CO -0.03 0.06 2.15 0.50 1.55 0.00 0.00 175.35 179.58 2py1 s ARG 128 N -3.67 2.32 0.00 4.03 3.52 -1.24 -4.30 118.95 119.62 2py1 s ARG 128 Ca 0.33 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 2py1 s ARG 128 Cb 0.05 -4.52 0.00 0.00 -1.56 0.00 0.00 34.95 28.92 2py1 s ARG 128 CO 0.16 -3.09 0.00 -0.89 -0.81 0.00 0.00 175.30 170.67