#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 -0.93 0.59 1.61 0.01 -1.26 -5.13 113.70 108.58 2py1 s SER 2 Ca 0.00 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2py1 s SER 2 Cb 0.00 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.85 2py1 s SER 2 CO 0.00 -0.22 0.00 0.23 0.41 0.00 0.00 173.24 173.66 2py1 n MET 3 N 4.57 -3.83 -1.44 12.44 0.00 -1.26 -5.00 117.12 122.60 2py1 n MET 3 Ca -0.17 3.02 0.07 0.00 0.00 0.00 0.00 57.70 60.62 2py1 n MET 3 Cb 0.56 -3.91 -0.04 0.00 0.00 0.00 0.00 33.22 29.83 2py1 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2py1 n SER 4 N -3.08 -7.76 0.00 7.83 7.64 -1.26 -5.04 113.62 111.94 2py1 n SER 4 Ca -0.03 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.46 2py1 n SER 4 Cb 0.53 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 2py1 n SER 4 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2py1 n PHE 5 N -3.30 0.00 -2.46 1.43 -0.00 -1.26 -5.12 117.46 106.74 2py1 n PHE 5 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.98 2py1 n PHE 5 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.00 2py1 n PHE 5 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2py1 s SER 6 N 0.00 6.69 0.32 -2.13 0.15 -1.26 -4.98 113.70 112.48 2py1 s SER 6 Ca 0.00 1.10 0.07 0.00 0.70 0.00 0.00 55.95 57.83 2py1 s SER 6 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2py1 s SER 6 CO 0.00 -1.09 0.27 0.61 1.20 0.00 0.00 173.24 174.23 2py1 n GLY 7 N 4.34 2.97 3.44 9.45 0.00 -1.26 -5.02 105.19 119.10 2py1 n GLY 7 Ca 0.14 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.29 3.20 -0.10 1.61 2.20 -1.26 -2.98 119.74 119.12 2py1 s LYS 8 Ca 0.38 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2py1 s LYS 8 Cb 0.02 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2py1 s LYS 8 CO 0.27 0.35 -0.10 -0.47 -0.36 0.00 0.00 175.35 175.03 2py1 s TYR 9 N 0.02 2.85 -0.07 4.03 6.14 -0.94 -1.02 117.35 128.36 2py1 s TYR 9 Ca -0.03 -0.31 0.00 0.00 0.64 0.00 0.00 57.07 57.37 2py1 s TYR 9 Cb -0.14 -1.78 0.02 0.00 0.42 0.00 0.00 41.96 40.48 2py1 s TYR 9 CO 0.04 0.04 -0.05 -1.14 0.64 0.00 0.00 175.55 175.08 2py1 s GLN 10 N -0.17 0.99 -0.13 4.97 0.74 -1.25 -2.50 119.66 122.31 2py1 s GLN 10 Ca 0.01 -0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.03 2py1 s GLN 10 Cb -0.13 -1.08 -0.06 0.00 1.10 0.00 0.00 33.01 32.84 2py1 s GLN 10 CO 0.03 -0.17 2.11 -1.17 -0.55 0.00 0.00 175.29 175.54 2py1 s LEU 11 N 1.35 3.81 -0.15 3.68 2.96 -0.31 -3.88 118.68 126.14 2py1 s LEU 11 Ca -0.04 2.16 -0.11 0.00 -0.22 0.00 0.00 54.13 55.92 2py1 s LEU 11 Cb -0.14 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2py1 s LEU 11 CO -0.03 -1.62 -0.21 0.00 -1.32 0.00 0.00 176.35 173.17 2py1 n GLN 12 N 8.30 0.47 -3.95 1.98 6.02 -1.10 -4.68 117.38 124.41 2py1 n GLN 12 Ca 0.26 0.46 -0.09 0.00 -0.01 0.00 0.00 57.00 57.62 2py1 n GLN 12 Cb 0.44 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 2py1 n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2py1 s SER 13 N -5.78 0.21 0.03 1.08 0.15 -1.20 -5.09 113.70 103.11 2py1 s SER 13 Ca -0.18 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 55.87 2py1 s SER 13 Cb 0.02 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2py1 s SER 13 CO 0.26 -0.48 0.08 -1.58 1.20 0.00 0.00 173.24 172.73 2py1 s GLN 14 N -2.48 0.56 -0.12 5.44 0.74 -1.26 -3.61 119.66 118.93 2py1 s GLN 14 Ca -0.06 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.63 2py1 s GLN 14 Cb -0.02 0.22 0.02 0.00 1.10 0.00 0.00 33.01 34.33 2py1 s GLN 14 CO -0.04 -0.13 -0.13 -1.83 -0.55 0.00 0.00 175.29 172.61 2py1 s GLU 15 N -2.46 2.02 -1.27 1.67 -1.05 -1.26 -4.75 118.70 111.60 2py1 s GLU 15 Ca -0.06 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2py1 s GLU 15 Cb -0.02 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.83 2py1 s GLU 15 CO -0.04 -0.17 0.87 0.09 0.95 0.00 0.00 175.26 176.96 2py1 n ASN 16 N 4.57 -1.92 -0.07 0.83 4.13 -1.26 -4.57 115.26 116.97 2py1 n ASN 16 Ca -0.17 -0.71 -0.09 0.00 1.68 0.00 0.00 54.58 55.29 2py1 n ASN 16 Cb 0.51 -4.60 0.06 0.00 -1.54 0.00 0.00 39.78 34.20 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 -1.93 0.89 -0.49 3.10 -5.15 -1.98 -3.08 116.94 108.30 2py1 h PHE 17 Ca -0.60 -0.24 -0.04 0.00 -0.20 0.00 0.00 57.97 56.88 2py1 h PHE 17 Cb 1.35 -0.20 -0.02 0.00 0.22 0.00 0.00 35.95 37.30 2py1 h PHE 17 CO 0.46 0.99 0.13 0.93 -2.00 0.00 0.00 178.31 178.82 2py1 h GLU 18 N 0.63 0.78 -1.04 6.09 5.08 -1.98 -2.53 114.58 121.61 2py1 h GLU 18 Ca 0.06 -0.18 0.36 0.00 -1.00 0.00 0.00 59.36 58.61 2py1 h GLU 18 Cb 0.88 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 2py1 h GLU 18 CO 0.08 0.75 0.60 0.00 -1.00 0.00 0.00 179.01 179.44 2py1 h ALA 19 N 1.00 2.13 -0.57 3.43 0.00 -1.92 1.61 119.26 124.94 2py1 h ALA 19 Ca 0.16 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2py1 h ALA 19 Cb 0.31 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2py1 h ALA 19 CO -0.00 -0.79 0.15 0.35 0.00 0.00 0.00 179.25 178.95 2py1 h PHE 20 N 0.20 0.95 -0.04 0.00 3.04 -1.52 0.13 116.94 119.71 2py1 h PHE 20 Ca 0.78 -0.11 -0.22 0.00 3.98 0.00 0.00 57.97 62.40 2py1 h PHE 20 Cb 1.96 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 40.20 2py1 h PHE 20 CO -0.01 0.81 -0.88 0.52 -2.02 0.00 0.00 178.31 176.74 2py1 h MET 21 N 0.81 0.47 0.00 1.11 2.86 0.18 -3.02 114.93 117.34 2py1 h MET 21 Ca 0.18 -0.45 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 2py1 h MET 21 Cb 0.33 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2py1 h MET 21 CO 0.00 1.10 -0.29 0.87 1.06 0.00 0.00 176.91 179.65 2py1 h LYS 22 N 0.28 0.00 -0.40 1.72 1.79 0.11 1.00 116.57 121.08 2py1 h LYS 22 Ca -0.07 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 2py1 h LYS 22 Cb 1.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.13 2py1 h LYS 22 CO 0.16 0.29 -0.17 0.00 -1.08 0.00 0.00 179.45 178.64 2py1 h ALA 23 N 1.71 0.95 0.00 3.86 0.00 -0.61 -2.79 119.26 122.38 2py1 h ALA 23 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2py1 h ALA 23 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2py1 h ALA 23 CO 0.04 0.61 -1.18 -0.84 0.00 0.00 0.00 179.25 177.88 2py1 h ILE 24 N 0.67 0.29 -0.41 0.00 3.07 -1.40 -3.49 117.51 116.25 2py1 h ILE 24 Ca 0.10 -1.56 0.00 0.00 1.55 0.00 0.00 64.86 64.95 2py1 h ILE 24 Cb 0.66 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2py1 h ILE 24 CO 0.05 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2py1 n GLY 25 N 1.29 0.51 3.88 0.16 0.00 0.14 -5.10 105.19 106.08 2py1 n GLY 25 Ca -0.05 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2py1 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2py1 s LEU 26 N -0.41 4.21 0.94 0.99 1.02 0.30 -4.97 118.68 120.76 2py1 s LEU 26 Ca 0.00 0.85 -0.13 0.00 0.02 0.00 0.00 54.13 54.87 2py1 s LEU 26 Cb 0.00 -3.55 0.15 0.00 0.02 0.00 0.00 46.19 42.81 2py1 s LEU 26 CO 0.00 -0.02 1.15 -2.16 0.02 0.00 0.00 176.35 175.33 2py1 s PRO 27 N -2.69 0.93 0.05 1.29 0.04 -1.26 -4.60 135.00 128.77 2py1 s PRO 27 Ca 0.45 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.55 2py1 s PRO 27 Cb -0.12 -1.82 -0.25 0.00 0.04 0.00 0.00 34.50 32.35 2py1 s PRO 27 CO 0.22 -2.32 1.14 1.49 0.04 0.00 0.00 177.00 177.56 2py1 h GLU 28 N -1.59 0.62 -0.95 4.56 4.81 -1.98 -2.15 114.58 117.90 2py1 h GLU 28 Ca -0.50 -0.72 0.06 0.00 -0.13 0.00 0.00 59.36 58.08 2py1 h GLU 28 Cb 1.32 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.85 2py1 h GLU 28 CO 0.58 1.30 0.62 1.05 -0.73 0.00 0.00 179.01 181.83 2py1 h GLU 29 N 0.25 1.07 -0.13 1.92 4.11 -1.97 1.64 114.58 121.48 2py1 h GLU 29 Ca -0.14 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.12 2py1 h GLU 29 Cb 1.68 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2py1 h GLU 29 CO 0.20 0.71 -0.33 -0.07 0.07 0.00 0.00 179.01 179.58 2py1 h LEU 30 N 1.10 0.52 -0.35 3.06 3.38 -1.95 0.10 115.31 121.18 2py1 h LEU 30 Ca 0.41 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2py1 h LEU 30 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2py1 h LEU 30 CO -0.16 1.01 0.10 0.40 0.09 0.00 0.00 178.44 179.88 2py1 h ILE 31 N 0.06 1.21 0.00 1.22 2.04 -0.65 -2.12 117.51 119.27 2py1 h ILE 31 Ca -0.00 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 2py1 h ILE 31 Cb 0.94 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2py1 h ILE 31 CO 0.07 0.24 -0.26 -0.61 0.00 0.00 0.00 178.15 177.59 2py1 h GLN 32 N 0.41 0.00 0.00 2.37 4.15 0.24 0.81 115.11 123.09 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 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2py1 h GLN 32 CO -0.00 0.26 0.00 1.63 -1.93 0.00 0.00 178.83 178.79 2py1 n LYS 33 N -3.79 0.45 -0.03 1.69 5.02 0.36 -2.00 118.16 119.85 2py1 n LYS 33 Ca -0.01 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 2py1 n LYS 33 Cb 0.36 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.07 -0.09 0.28 0.72 0.00 -0.27 -4.38 105.19 102.52 2py1 n GLY 34 Ca 0.14 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.10 0.00 0.00 1.61 2.10 0.49 0.18 116.57 120.85 2py1 h LYS 35 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2py1 h LYS 35 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2py1 h LYS 35 CO -0.06 0.05 -0.34 -3.47 -2.00 0.00 0.00 179.45 173.63 2py1 n ASP 36 N -3.24 0.43 -4.15 7.07 -0.08 -0.85 -4.70 116.55 111.03 2py1 n ASP 36 Ca -0.01 0.11 -0.33 0.00 -1.51 0.00 0.00 54.79 53.05 2py1 n ASP 36 Cb 0.25 -0.07 -0.16 0.00 2.34 0.00 0.00 41.12 43.49 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 -3.04 2.26 -0.69 5.18 1.01 0.05 -5.05 121.20 120.93 2py1 s ILE 37 Ca 0.11 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2py1 s ILE 37 Cb 0.17 -1.98 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 2py1 s ILE 37 CO 0.65 0.50 2.22 -1.59 0.00 0.00 0.00 174.94 176.72 2py1 s LYS 38 N 1.31 2.12 -0.49 2.79 -2.85 -1.26 -4.81 119.74 116.55 2py1 s LYS 38 Ca 0.05 0.64 -0.44 0.00 -1.00 0.00 0.00 55.97 55.23 2py1 s LYS 38 Cb -0.13 -4.70 -0.19 0.00 -2.06 0.00 0.00 37.83 30.75 2py1 s LYS 38 CO -0.11 -3.57 1.99 0.41 0.10 0.00 0.00 175.35 174.16 2py1 n GLY 39 N 6.37 -0.08 3.41 0.59 0.00 -1.26 -4.38 105.19 109.83 2py1 n GLY 39 Ca 0.37 1.07 -0.32 0.00 0.00 0.00 0.00 46.02 47.15 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 5.29 2.62 -0.15 1.61 1.01 -1.26 -1.16 120.40 128.36 2py1 s VAL 40 Ca 1.14 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 2py1 s VAL 40 Cb -1.47 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2py1 s VAL 40 CO 0.68 0.53 0.49 -0.94 0.00 0.00 0.00 175.10 175.86 2py1 s SER 41 N -0.83 -0.49 -0.10 3.32 1.04 -1.04 -4.42 113.70 111.18 2py1 s SER 41 Ca 0.12 0.85 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 2py1 s SER 41 Cb -0.10 0.88 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 2py1 s SER 41 CO 0.01 -0.25 -0.02 -1.61 0.98 0.00 0.00 173.24 172.35 2py1 s GLU 42 N -0.08 3.07 -0.25 4.02 2.02 -1.26 -2.22 118.70 124.00 2py1 s GLU 42 Ca -0.03 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.38 2py1 s GLU 42 Cb -0.03 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.38 2py1 s GLU 42 CO 0.02 0.60 0.23 0.42 0.02 0.00 0.00 175.26 176.54 2py1 s ILE 43 N -0.60 5.30 -0.14 -1.63 1.01 -1.16 -4.10 121.20 119.88 2py1 s ILE 43 Ca 0.10 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 2py1 s ILE 43 Cb -0.12 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 2py1 s ILE 43 CO 0.02 0.29 -0.02 -0.69 0.00 0.00 0.00 174.94 174.54 2py1 s VAL 44 N 1.37 4.10 0.08 2.92 1.01 -0.13 -4.07 120.40 125.69 2py1 s VAL 44 Ca 0.10 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2py1 s VAL 44 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2py1 s VAL 44 CO 0.07 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 2py1 s GLN 45 N 0.08 0.91 -0.45 2.72 1.03 -1.26 -0.03 119.66 122.66 2py1 s GLN 45 Ca 0.01 -1.02 0.05 0.00 0.04 0.00 0.00 55.36 54.44 2py1 s GLN 45 Cb -0.13 -1.00 0.29 0.00 0.03 0.00 0.00 33.01 32.20 2py1 s GLN 45 CO 0.02 0.23 1.06 0.09 -2.54 0.00 0.00 175.29 174.15 2py1 n ASN 46 N 1.22 -2.42 -2.99 12.60 3.02 0.49 -4.91 115.26 122.26 2py1 n ASN 46 Ca -0.21 -3.31 -0.10 0.00 -0.03 0.00 0.00 54.58 50.93 2py1 n ASN 46 Cb 0.54 1.77 0.01 0.00 -0.61 0.00 0.00 39.78 41.49 2py1 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2py1 n GLY 47 N 0.93 -1.71 4.65 7.41 0.00 -1.26 -2.96 105.19 112.24 2py1 n GLY 47 Ca 0.06 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 0.28 0.00 -2.32 1.61 5.02 -1.26 -4.91 118.16 116.58 2py1 n LYS 48 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2py1 n LYS 48 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 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 0.00 3.29 -0.03 2.13 3.76 -1.16 -2.90 115.29 120.39 2py1 s HIS 49 Ca 0.00 1.13 0.03 0.00 -0.15 0.00 0.00 55.06 56.07 2py1 s HIS 49 Cb 0.00 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.16 2py1 s HIS 49 CO 0.00 -1.76 -0.11 -0.06 -0.85 0.00 0.00 174.74 171.96 2py1 s PHE 50 N 1.30 1.07 0.13 1.40 0.40 0.18 0.18 117.98 122.64 2py1 s PHE 50 Ca 0.61 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 2py1 s PHE 50 Cb -0.32 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 2py1 s PHE 50 CO 0.29 -0.09 0.16 0.15 0.70 0.00 0.00 175.22 176.43 2py1 s LYS 51 N 0.09 3.07 0.08 0.44 1.02 0.96 -0.67 119.74 124.72 2py1 s LYS 51 Ca -0.02 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.26 2py1 s LYS 51 Cb -0.08 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2py1 s LYS 51 CO 0.01 0.52 -0.07 0.12 -0.92 0.00 0.00 175.35 175.01 2py1 s PHE 52 N -1.64 0.80 0.01 3.18 5.36 -1.11 -0.95 117.98 123.63 2py1 s PHE 52 Ca 0.32 -0.81 0.02 0.00 -0.96 0.00 0.00 56.93 55.49 2py1 s PHE 52 Cb -0.11 -0.48 -0.01 0.00 -0.34 0.00 0.00 43.02 42.08 2py1 s PHE 52 CO 0.25 -0.15 -0.07 0.99 -1.46 0.00 0.00 175.22 174.78 2py1 s THR 53 N -3.05 0.53 -0.22 0.12 2.01 -1.26 -4.12 115.64 109.66 2py1 s THR 53 Ca 0.06 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2py1 s THR 53 Cb 0.01 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 2py1 s THR 53 CO -0.04 -0.02 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.22 2py1 s ILE 54 N -0.53 3.55 -0.71 1.82 1.01 -1.26 -4.62 121.20 120.46 2py1 s ILE 54 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2py1 s ILE 54 Cb -0.05 -2.62 0.37 0.00 0.01 0.00 0.00 42.46 40.17 2py1 s ILE 54 CO 0.00 0.41 1.64 0.41 0.00 0.00 0.00 174.94 177.40 2py1 n THR 55 N 4.76 3.39 -2.95 2.92 -1.04 -1.26 -3.95 114.28 116.15 2py1 n THR 55 Ca -0.18 -4.75 -0.40 0.00 -2.04 0.00 0.00 64.05 56.68 2py1 n THR 55 Cb 0.51 -1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 67.68 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 -3.89 3.33 0.00 2.41 0.00 -1.23 -4.86 121.76 117.52 2py1 s ALA 56 Ca 0.49 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2py1 s ALA 56 Cb 0.39 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2py1 s ALA 56 CO -0.30 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2py1 n GLY 57 N 2.61 0.99 2.33 0.00 0.00 -1.26 -1.87 105.19 108.00 2py1 n GLY 57 Ca -0.01 0.67 -0.26 0.00 0.00 0.00 0.00 46.02 46.43 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 3.00 0.28 -3.65 1.61 7.64 -1.26 -5.06 113.62 116.18 2py1 n SER 58 Ca 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 58.87 57.26 2py1 n SER 58 Cb 0.00 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 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 -0.74 0.11 0.16 1.43 -2.85 -0.78 -5.17 119.74 111.89 2py1 s LYS 59 Ca 0.34 0.18 0.09 0.00 -1.00 0.00 0.00 55.97 55.58 2py1 s LYS 59 Cb 0.10 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2py1 s LYS 59 CO -0.15 -0.02 -0.14 0.08 0.10 0.00 0.00 175.35 175.22 2py1 s VAL 60 N 0.96 2.99 -0.01 1.79 1.01 -1.25 -3.57 120.40 122.31 2py1 s VAL 60 Ca -0.06 -1.64 0.04 0.00 0.00 0.00 0.00 61.98 60.32 2py1 s VAL 60 Cb -0.03 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2py1 s VAL 60 CO -0.11 -0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.18 2py1 s ILE 61 N -1.51 1.17 -0.24 2.22 1.01 -1.26 -4.96 121.20 117.63 2py1 s ILE 61 Ca 0.22 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2py1 s ILE 61 Cb -0.09 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2py1 s ILE 61 CO 0.13 0.33 0.03 0.00 0.00 0.00 0.00 174.94 175.43 2py1 s GLN 62 N -0.30 3.47 -0.18 2.79 -2.07 -1.26 -4.06 119.66 118.05 2py1 s GLN 62 Ca 0.05 -0.58 -0.22 0.00 -1.82 0.00 0.00 55.36 52.79 2py1 s GLN 62 Cb -0.06 -3.20 0.06 0.00 -1.09 0.00 0.00 33.01 28.71 2py1 s GLN 62 CO -0.00 -0.22 0.58 1.21 -1.32 0.00 0.00 175.29 175.54 2py1 s ASN 63 N 1.55 -0.59 -0.01 12.60 2.47 -1.26 -5.11 114.94 124.59 2py1 s ASN 63 Ca 0.06 1.05 0.08 0.00 0.42 0.00 0.00 52.86 54.46 2py1 s ASN 63 Cb -0.15 1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 40.68 2py1 s ASN 63 CO 0.01 -0.28 -0.25 -1.83 -3.72 0.00 0.00 177.10 171.03 2py1 s GLU 64 N -0.01 1.97 0.04 0.43 -1.05 -1.26 -2.77 118.70 116.05 2py1 s GLU 64 Ca -0.02 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 2py1 s GLU 64 Cb -0.04 -1.93 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 2py1 s GLU 64 CO 0.02 0.53 -0.09 -0.59 0.95 0.00 0.00 175.26 176.08 2py1 s PHE 65 N -0.61 0.75 0.19 4.83 -0.12 0.16 -4.99 117.98 118.18 2py1 s PHE 65 Ca 0.10 -0.43 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 2py1 s PHE 65 Cb -0.10 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 2py1 s PHE 65 CO -0.01 -0.05 -0.14 0.99 -0.05 0.00 0.00 175.22 175.96 2py1 s THR 66 N -1.16 2.90 0.00 -4.49 2.01 -1.26 0.48 115.64 114.11 2py1 s THR 66 Ca -0.07 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.13 2py1 s THR 66 Cb -0.09 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2py1 s THR 66 CO 0.01 -0.12 0.00 0.55 -0.69 0.00 0.00 174.62 174.36 2py1 n VAL 67 N 0.08 0.00 0.00 3.82 3.14 -1.14 -4.44 118.33 119.79 2py1 n VAL 67 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2py1 n VAL 67 Cb 0.56 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 2py1 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2py1 n GLY 68 N 5.00 1.35 3.50 7.55 0.00 -1.25 -4.82 105.19 116.52 2py1 n GLY 68 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2py1 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2py1 s GLU 69 N 0.00 1.74 -0.11 1.61 -1.05 -1.26 -4.93 118.70 114.70 2py1 s GLU 69 Ca 0.00 -1.96 -0.28 0.00 -0.15 0.00 0.00 54.97 52.58 2py1 s GLU 69 Cb 0.00 -1.16 -0.02 0.00 -0.44 0.00 0.00 34.13 32.52 2py1 s GLU 69 CO 0.00 -0.11 0.94 -1.83 0.95 0.00 0.00 175.26 175.20 2py1 s GLU 70 N -3.81 4.41 0.32 -4.83 -1.05 -1.26 -4.38 118.70 108.10 2py1 s GLU 70 Ca 0.35 1.26 0.07 0.00 -0.15 0.00 0.00 54.97 56.51 2py1 s GLU 70 Cb 0.08 -3.53 -0.03 0.00 -0.44 0.00 0.00 34.13 30.21 2py1 s GLU 70 CO 0.16 -0.26 0.28 0.00 0.95 0.00 0.00 175.26 176.39 2py1 s GLU 72 N -3.97 4.17 0.04 0.00 -1.05 -1.26 -0.26 118.70 116.37 2py1 s GLU 72 Ca 0.39 0.75 0.04 0.00 -0.15 0.00 0.00 54.97 56.00 2py1 s GLU 72 Cb -0.06 -2.90 -0.02 0.00 -0.44 0.00 0.00 34.13 30.71 2py1 s GLU 72 CO 0.26 0.42 -0.11 -0.51 0.95 0.00 0.00 175.26 176.28 2py1 s LEU 73 N -1.96 2.20 -0.36 1.83 1.43 0.20 -4.92 118.68 117.10 2py1 s LEU 73 Ca 0.41 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2py1 s LEU 73 Cb -0.16 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.68 2py1 s LEU 73 CO 0.20 -0.06 0.21 -1.61 0.23 0.00 0.00 176.35 175.32 2py1 s GLU 74 N -1.24 3.02 0.00 1.70 2.02 -1.26 -1.32 118.70 121.62 2py1 s GLU 74 Ca -0.03 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.01 2py1 s GLU 74 Cb -0.08 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.42 2py1 s GLU 74 CO 0.01 -0.62 0.00 2.41 0.02 0.00 0.00 175.26 177.08 2py1 n THR 75 N 5.02 0.00 0.00 3.63 -1.04 0.53 -5.00 114.28 117.43 2py1 n THR 75 Ca -0.12 0.47 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 2py1 n THR 75 Cb 0.47 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2py1 n THR 75 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2py1 n MET 76 N 0.00 0.00 -0.06 -2.82 2.81 -1.26 -4.93 117.12 110.85 2py1 n MET 76 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2py1 n MET 76 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 32.71 2py1 n MET 76 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2py1 n THR 77 N 0.00 0.17 -0.76 2.03 -2.24 -1.26 -4.82 114.28 107.40 2py1 n THR 77 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2py1 n THR 77 Cb 0.00 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2py1 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2py1 n GLY 78 N 0.81 0.71 3.01 3.38 0.00 -1.26 -5.10 105.19 106.73 2py1 n GLY 78 Ca 0.08 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.15 1.46 -0.22 1.61 0.41 -1.26 -5.03 118.70 114.52 2py1 s GLU 79 Ca 0.00 -0.36 -0.03 0.00 -0.41 0.00 0.00 54.97 54.17 2py1 s GLU 79 Cb 0.00 -1.25 -0.00 0.00 -1.78 0.00 0.00 34.13 31.10 2py1 s GLU 79 CO 0.00 0.04 -0.06 -1.59 -0.49 0.00 0.00 175.26 173.15 2py1 s LYS 80 N 0.59 3.30 0.09 1.61 -2.85 -1.26 -0.35 119.74 120.87 2py1 s LYS 80 Ca -0.12 -0.67 0.09 0.00 -1.00 0.00 0.00 55.97 54.28 2py1 s LYS 80 Cb -0.14 -2.95 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 2py1 s LYS 80 CO 0.03 -0.21 -0.24 0.14 0.10 0.00 0.00 175.35 175.16 2py1 s VAL 81 N 1.45 2.01 -0.40 1.79 -7.23 -0.43 -4.90 120.40 112.69 2py1 s VAL 81 Ca 0.05 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.56 2py1 s VAL 81 Cb -0.14 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.05 2py1 s VAL 81 CO -0.05 0.15 0.27 -0.54 -0.31 0.00 0.00 175.10 174.62 2py1 s LYS 82 N -1.67 2.96 0.16 4.82 3.01 -1.26 0.59 119.74 128.36 2py1 s LYS 82 Ca 0.11 -1.01 0.05 0.00 -1.01 0.00 0.00 55.97 54.11 2py1 s LYS 82 Cb -0.10 -3.90 -0.04 0.00 -1.01 0.00 0.00 37.83 32.78 2py1 s LYS 82 CO 0.04 -0.72 0.11 -0.08 0.51 0.00 0.00 175.35 175.21 2py1 s THR 83 N 1.65 4.37 0.07 2.17 -1.32 0.64 -4.64 115.64 118.59 2py1 s THR 83 Ca 0.04 -1.11 0.09 0.00 -1.21 0.00 0.00 61.69 59.50 2py1 s THR 83 Cb -0.19 -3.22 -0.03 0.00 -1.51 0.00 0.00 72.50 67.55 2py1 s THR 83 CO 0.09 -0.09 -0.25 0.54 -2.21 0.00 0.00 174.62 172.70 2py1 s VAL 84 N -1.72 2.04 -0.13 5.08 0.11 -1.23 0.14 120.40 124.69 2py1 s VAL 84 Ca 0.30 -1.46 0.02 0.00 -2.93 0.00 0.00 61.98 57.92 2py1 s VAL 84 Cb -0.10 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 2py1 s VAL 84 CO 0.23 0.23 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.33 2py1 s VAL 85 N -0.90 2.28 0.18 2.04 1.01 -1.26 -2.81 120.40 120.94 2py1 s VAL 85 Ca 0.11 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.28 2py1 s VAL 85 Cb -0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2py1 s VAL 85 CO 0.03 0.54 -0.21 -1.10 0.00 0.00 0.00 175.10 174.37 2py1 s GLN 86 N 0.62 1.64 -0.06 2.72 -0.21 0.58 -3.86 119.66 121.08 2py1 s GLN 86 Ca -0.11 -1.44 -0.01 0.00 0.02 0.00 0.00 55.36 53.82 2py1 s GLN 86 Cb -0.16 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 2py1 s GLN 86 CO 0.03 0.41 0.01 -0.48 -2.12 0.00 0.00 175.29 173.14 2py1 s LEU 87 N -2.63 3.62 0.06 2.90 0.05 -1.26 0.14 118.68 121.56 2py1 s LEU 87 Ca 0.21 0.13 -0.07 0.00 0.05 0.00 0.00 54.13 54.45 2py1 s LEU 87 Cb -0.08 -1.90 -0.01 0.00 -2.05 0.00 0.00 46.19 42.15 2py1 s LEU 87 CO 0.11 0.35 0.13 -1.61 -0.55 0.00 0.00 176.35 174.78 2py1 s GLU 88 N -1.08 0.72 7.48 1.48 8.01 -0.07 -4.88 118.70 130.36 2py1 s GLU 88 Ca 0.15 -0.91 0.00 0.00 0.01 0.00 0.00 54.97 54.22 2py1 s GLU 88 Cb -0.11 0.28 0.00 0.00 -4.31 0.00 0.00 34.13 29.99 2py1 s GLU 88 CO 0.05 -0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.53 2py1 n GLY 89 N 0.27 4.24 0.16 -1.39 0.00 -1.26 -1.28 105.19 105.93 2py1 n GLY 89 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 8.38 3.21 -2.66 1.61 8.00 -1.26 -4.85 116.55 128.98 2py1 n ASP 90 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2py1 n ASP 90 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2py1 n ASP 90 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2py1 n ASN 91 N -2.53 1.74 -4.36 -2.24 3.02 -1.24 -4.43 115.26 105.21 2py1 n ASN 91 Ca 0.00 -2.81 -0.30 0.00 -0.03 0.00 0.00 54.58 51.44 2py1 n ASN 91 Cb 0.47 -0.53 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2py1 s LYS 92 N -3.14 1.75 -0.07 3.52 1.02 -0.40 -3.10 119.74 119.31 2py1 s LYS 92 Ca 0.29 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 55.15 2py1 s LYS 92 Cb 0.45 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 2py1 s LYS 92 CO 0.01 0.50 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.34 2py1 s LEU 93 N -1.42 1.47 -0.22 3.17 1.02 -0.87 -0.89 118.68 120.94 2py1 s LEU 93 Ca 0.12 -0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.00 2py1 s LEU 93 Cb -0.10 -0.77 0.02 0.00 0.02 0.00 0.00 46.19 45.36 2py1 s LEU 93 CO 0.03 -0.02 -0.11 -0.69 0.02 0.00 0.00 176.35 175.58 2py1 s VAL 94 N 0.97 2.58 0.04 -1.59 1.01 0.38 -0.70 120.40 123.08 2py1 s VAL 94 Ca -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2py1 s VAL 94 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2py1 s VAL 94 CO 0.00 0.32 -0.10 0.28 0.00 0.00 0.00 175.10 175.60 2py1 s THR 95 N 1.31 0.73 0.22 3.92 -1.32 -1.25 0.22 115.64 119.45 2py1 s THR 95 Ca 0.01 -0.93 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 2py1 s THR 95 Cb -0.15 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.07 2py1 s THR 95 CO -0.07 -0.18 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.09 2py1 s THR 96 N -1.01 2.03 0.44 5.08 2.01 -1.12 -2.87 115.64 120.20 2py1 s THR 96 Ca -0.04 -2.18 0.06 0.00 0.31 0.00 0.00 61.69 59.84 2py1 s THR 96 Cb -0.08 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2py1 s THR 96 CO 0.01 -0.43 0.17 0.12 -0.69 0.00 0.00 174.62 173.81 2py1 s PHE 97 N -2.49 2.37 0.23 4.92 2.19 0.35 -3.55 117.98 122.00 2py1 s PHE 97 Ca 0.23 -0.68 0.07 0.00 0.33 0.00 0.00 56.93 56.88 2py1 s PHE 97 Cb -0.04 -1.89 0.69 0.00 -1.31 0.00 0.00 43.02 40.46 2py1 s PHE 97 CO 0.09 0.12 1.05 0.36 1.83 0.00 0.00 175.22 178.68 2py1 n LYS 98 N -1.29 -0.05 -2.58 10.12 -0.00 -1.26 -2.73 118.16 120.37 2py1 n LYS 98 Ca -0.04 0.97 -0.04 0.00 -0.00 0.00 0.00 58.31 59.20 2py1 n LYS 98 Cb 0.65 -1.62 0.10 0.00 -0.00 0.00 0.00 35.03 34.16 2py1 n LYS 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2py1 n ASN 99 N -4.72 -1.48 -3.76 -5.58 5.15 -1.26 -5.11 115.26 98.50 2py1 n ASN 99 Ca 0.20 -2.15 -0.19 0.00 -0.60 0.00 0.00 54.58 51.84 2py1 n ASN 99 Cb 0.67 0.78 -0.17 0.00 -0.53 0.00 0.00 39.78 40.53 2py1 n ASN 99 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2py1 s ILE 100 N 0.14 0.11 -0.24 -1.44 1.01 -1.10 -5.07 121.20 114.60 2py1 s ILE 100 Ca 0.13 0.21 -0.25 0.00 0.00 0.00 0.00 60.65 60.74 2py1 s ILE 100 Cb 0.36 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 42.55 2py1 s ILE 100 CO -0.09 0.17 0.84 -0.75 0.00 0.00 0.00 174.94 175.11 2py1 s LYS 101 N 1.56 4.18 0.13 2.79 2.47 -1.26 -0.50 119.74 129.11 2py1 s LYS 101 Ca -0.02 0.95 0.10 0.00 -1.56 0.00 0.00 55.97 55.45 2py1 s LYS 101 Cb -0.13 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 2py1 s LYS 101 CO -0.03 -0.53 -0.26 0.45 0.16 0.00 0.00 175.35 175.14 2py1 s SER 102 N 1.34 3.16 -0.05 1.43 0.15 -1.14 -4.24 113.70 114.36 2py1 s SER 102 Ca 0.35 -0.74 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 2py1 s SER 102 Cb -0.15 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2py1 s SER 102 CO 0.07 0.15 0.09 -0.69 1.20 0.00 0.00 173.24 174.07 2py1 s VAL 103 N -1.10 -0.15 -0.08 4.45 1.01 -1.26 -3.88 120.40 119.40 2py1 s VAL 103 Ca 0.13 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 2py1 s VAL 103 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2py1 s VAL 103 CO 0.06 0.16 -0.05 -0.89 0.00 0.00 0.00 175.10 174.38 2py1 s THR 104 N 2.08 3.86 0.05 3.92 2.01 0.12 -3.35 115.64 124.32 2py1 s THR 104 Ca 0.03 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2py1 s THR 104 Cb -0.12 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 2py1 s THR 104 CO -0.04 0.59 0.16 -1.83 -0.69 0.00 0.00 174.62 172.82 2py1 s GLU 105 N -0.73 0.68 -0.20 4.92 -1.05 -1.26 -2.05 118.70 119.02 2py1 s GLU 105 Ca 0.11 -0.72 -0.00 0.00 -0.15 0.00 0.00 54.97 54.21 2py1 s GLU 105 Cb -0.11 0.28 0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2py1 s GLU 105 CO 0.02 -0.19 -0.15 -1.17 0.95 0.00 0.00 175.26 174.72 2py1 s LEU 106 N -2.22 2.47 -0.08 1.83 2.96 -1.18 -4.24 118.68 118.23 2py1 s LEU 106 Ca -0.03 -0.66 -0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2py1 s LEU 106 Cb -0.00 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.16 2py1 s LEU 106 CO -0.05 -0.03 -0.03 0.21 -1.32 0.00 0.00 176.35 175.13 2py1 s ASN 107 N 1.32 1.61 0.00 3.68 2.47 -1.06 -4.99 114.94 117.97 2py1 s ASN 107 Ca 0.04 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.16 2py1 s ASN 107 Cb -0.14 -0.56 0.00 0.00 -1.45 0.00 0.00 41.25 39.10 2py1 s ASN 107 CO -0.10 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.76 2py1 n GLY 108 N 4.82 0.53 0.29 1.21 0.00 -1.26 0.18 105.19 110.96 2py1 n GLY 108 Ca -0.13 0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 1.94 0.54 -4.24 1.61 8.00 -1.26 -5.03 116.55 118.11 2py1 n ASP 109 Ca 0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 2py1 n ASP 109 Cb 0.00 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 40.75 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2py1 s ILE 110 N -0.57 2.41 -0.18 0.53 -1.09 0.48 -1.18 121.20 121.60 2py1 s ILE 110 Ca 0.06 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2py1 s ILE 110 Cb 0.05 -1.98 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2py1 s ILE 110 CO 0.01 0.54 -0.15 0.27 -1.23 0.00 0.00 174.94 174.37 2py1 s ILE 111 N 0.66 2.48 -0.16 2.92 -4.36 -1.07 -2.57 121.20 119.10 2py1 s ILE 111 Ca -0.09 -0.80 -0.07 0.00 -0.26 0.00 0.00 60.65 59.42 2py1 s ILE 111 Cb -0.16 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2py1 s ILE 111 CO 0.02 0.51 0.09 -0.89 0.24 0.00 0.00 174.94 174.91 2py1 s THR 112 N 1.25 5.08 -0.11 8.37 2.01 -1.26 -3.77 115.64 127.20 2py1 s THR 112 Ca 0.03 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2py1 s THR 112 Cb -0.14 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 2py1 s THR 112 CO -0.08 0.52 -0.17 0.21 -0.69 0.00 0.00 174.62 174.40 2py1 s ASN 113 N -0.17 3.65 -0.23 3.53 3.84 -1.25 -4.08 114.94 120.23 2py1 s ASN 113 Ca 0.09 -0.41 -0.11 0.00 0.21 0.00 0.00 52.86 52.63 2py1 s ASN 113 Cb -0.12 -1.50 -0.05 0.00 -0.55 0.00 0.00 41.25 39.04 2py1 s ASN 113 CO 0.01 0.17 0.19 0.42 -2.79 0.00 0.00 177.10 175.10 2py1 s THR 114 N 0.30 5.34 -0.05 -5.21 -4.23 -1.21 -3.54 115.64 107.04 2py1 s THR 114 Ca -0.13 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2py1 s THR 114 Cb -0.17 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.17 2py1 s THR 114 CO 0.07 0.34 -0.01 -0.04 -0.54 0.00 0.00 174.62 174.44 2py1 s MET 115 N 0.99 0.56 -0.24 3.99 -1.94 -1.25 -4.00 119.30 117.40 2py1 s MET 115 Ca 0.09 0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.10 2py1 s MET 115 Cb -0.13 -0.77 0.02 0.00 2.01 0.00 0.00 34.83 35.96 2py1 s MET 115 CO 0.04 -0.19 -0.06 -0.08 -0.01 0.00 0.00 175.02 174.73 2py1 s THR 116 N 1.39 2.97 -0.02 2.05 -1.32 -1.26 -1.79 115.64 117.66 2py1 s THR 116 Ca -0.04 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.54 2py1 s THR 116 Cb -0.13 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 2py1 s THR 116 CO -0.02 0.25 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.84 2py1 s LEU 117 N 1.36 1.62 -1.42 9.08 1.02 0.11 -4.77 118.68 125.68 2py1 s LEU 117 Ca 0.02 -0.09 -0.11 0.00 0.02 0.00 0.00 54.13 53.96 2py1 s LEU 117 Cb -0.16 -0.30 0.09 0.00 0.02 0.00 0.00 46.19 45.83 2py1 s LEU 117 CO -0.04 -0.01 0.64 0.61 0.02 0.00 0.00 176.35 177.57 2py1 n GLY 118 N 3.54 -0.48 2.35 -3.19 0.00 -1.26 0.18 105.19 106.33 2py1 n GLY 118 Ca -0.20 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2py1 n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2py1 n ASP 119 N -2.46 -4.49 -4.13 1.61 8.00 -1.26 -4.98 116.55 108.83 2py1 n ASP 119 Ca 0.01 0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 2py1 n ASP 119 Cb 0.53 -3.30 -0.16 0.00 -0.02 0.00 0.00 41.12 38.17 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2py1 s ILE 120 N -2.54 2.18 -0.20 0.53 1.01 0.48 -5.10 121.20 117.55 2py1 s ILE 120 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2py1 s ILE 120 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2py1 s ILE 120 CO 0.00 0.51 0.07 0.54 0.00 0.00 0.00 174.94 176.06 2py1 s VAL 121 N 1.30 4.72 0.26 2.92 0.11 -1.26 0.05 120.40 128.51 2py1 s VAL 121 Ca 0.05 -0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2py1 s VAL 121 Cb -0.13 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 2py1 s VAL 121 CO -0.12 0.43 -0.00 -0.36 -3.33 0.00 0.00 175.10 171.72 2py1 s PHE 122 N 0.62 2.70 -0.03 1.54 0.08 -0.74 -5.01 117.98 117.14 2py1 s PHE 122 Ca 0.03 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.91 2py1 s PHE 122 Cb -0.13 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 2py1 s PHE 122 CO 0.01 0.61 -0.17 0.21 -0.10 0.00 0.00 175.22 175.79 2py1 s LYS 123 N -3.63 2.39 -0.05 0.44 2.20 -1.26 -3.79 119.74 116.03 2py1 s LYS 123 Ca 0.31 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 55.21 2py1 s LYS 123 Cb -0.07 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.95 2py1 s LYS 123 CO 0.20 0.60 -0.24 1.03 -0.36 0.00 0.00 175.35 176.58 2py1 s ARG 124 N -0.79 2.37 -0.09 4.03 0.52 -1.23 -4.09 118.95 119.67 2py1 s ARG 124 Ca 0.12 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2py1 s ARG 124 Cb -0.10 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.34 2py1 s ARG 124 CO 0.01 0.38 -0.07 0.42 0.02 0.00 0.00 175.30 176.06 2py1 s ILE 125 N -0.18 0.87 -0.04 1.52 1.01 -1.24 -3.77 121.20 119.37 2py1 s ILE 125 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2py1 s ILE 125 Cb -0.13 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.46 2py1 s ILE 125 CO 0.03 0.33 0.13 -0.55 0.00 0.00 0.00 174.94 174.88 2py1 s SER 126 N 1.48 -0.12 0.18 3.58 0.15 -1.25 -2.72 113.70 115.01 2py1 s SER 126 Ca -0.00 0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.91 2py1 s SER 126 Cb -0.13 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 2py1 s SER 126 CO -0.05 -0.06 0.26 -0.75 1.20 0.00 0.00 173.24 173.84 2py1 s LYS 127 N -0.02 3.27 -0.40 5.44 2.20 -1.25 -2.61 119.74 126.38 2py1 s LYS 127 Ca -0.01 -0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 54.59 2py1 s LYS 127 Cb -0.01 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2py1 s LYS 127 CO 0.00 0.48 2.01 0.50 -0.36 0.00 0.00 175.35 177.98 2py1 s ARG 128 N -3.42 2.91 0.00 4.03 3.52 -0.32 -3.81 118.95 121.87 2py1 s ARG 128 Ca 0.33 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.30 2py1 s ARG 128 Cb -0.10 -4.34 0.00 0.00 -1.56 0.00 0.00 34.95 28.94 2py1 s ARG 128 CO 0.27 -2.36 0.00 -0.89 -0.81 0.00 0.00 175.30 171.51