#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 -0.78 0.30 1.61 0.01 -1.26 -5.16 113.70 108.42 2py1 s SER 2 Ca 0.00 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 56.80 2py1 s SER 2 Cb 0.00 1.61 -0.06 0.00 0.21 0.00 0.00 66.02 67.78 2py1 s SER 2 CO 0.00 -0.26 -0.02 0.00 0.41 0.00 0.00 173.24 173.37 2py1 s MET 3 N 2.23 1.59 -0.59 12.44 0.00 -1.26 -5.11 119.30 128.61 2py1 s MET 3 Ca 0.13 -1.83 -0.09 0.00 0.00 0.00 0.00 55.69 53.89 2py1 s MET 3 Cb -0.09 -1.08 0.15 0.00 0.00 0.00 0.00 34.83 33.81 2py1 s MET 3 CO -0.17 -0.04 0.47 -1.54 0.00 0.00 0.00 175.02 173.74 2py1 s SER 4 N -3.46 5.86 -0.41 -1.18 1.04 -1.26 -4.92 113.70 109.38 2py1 s SER 4 Ca 0.32 -2.28 0.00 0.00 0.48 0.00 0.00 55.95 54.47 2py1 s SER 4 Cb 0.06 -2.03 0.39 0.00 0.10 0.00 0.00 66.02 64.53 2py1 s SER 4 CO 0.13 -0.61 1.87 0.49 0.98 0.00 0.00 173.24 176.10 2py1 n PHE 5 N 4.41 2.27 -3.65 5.02 3.72 -1.26 -4.72 117.46 123.25 2py1 n PHE 5 Ca -0.00 -2.02 -0.29 0.00 -0.05 0.00 0.00 57.45 55.08 2py1 n PHE 5 Cb 0.41 -0.99 -0.14 0.00 -0.94 0.00 0.00 39.48 37.82 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 -0.70 3.72 0.00 4.37 0.15 -1.26 -3.86 113.70 116.12 2py1 s SER 6 Ca 0.44 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2py1 s SER 6 Cb 0.36 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2py1 s SER 6 CO 0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2py1 n GLY 7 N 4.61 4.17 3.00 9.45 0.00 -1.22 -5.02 105.19 120.18 2py1 n GLY 7 Ca 0.01 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 2py1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py1 s LYS 8 N -1.00 0.57 -0.00 1.61 1.02 -1.26 -3.66 119.74 117.02 2py1 s LYS 8 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2py1 s LYS 8 Cb 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 2py1 s LYS 8 CO 0.00 0.14 -0.00 0.71 -0.92 0.00 0.00 175.35 175.28 2py1 s TYR 9 N -0.32 0.05 -0.10 3.18 1.51 -1.26 -4.41 117.35 116.00 2py1 s TYR 9 Ca 0.01 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2py1 s TYR 9 Cb -0.04 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2py1 s TYR 9 CO -0.00 -0.01 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.23 2py1 s GLN 10 N 0.13 3.14 0.37 -0.62 0.74 -1.25 -3.93 119.66 118.23 2py1 s GLN 10 Ca -0.01 -0.52 -0.25 0.00 0.05 0.00 0.00 55.36 54.63 2py1 s GLN 10 Cb -0.02 -2.73 -0.13 0.00 1.10 0.00 0.00 33.01 31.23 2py1 s GLN 10 CO -0.00 0.50 0.82 1.47 -0.55 0.00 0.00 175.29 177.53 2py1 n LEU 11 N 2.73 1.25 0.00 3.68 -0.00 -1.21 -4.05 117.00 119.41 2py1 n LEU 11 Ca -0.18 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.87 2py1 n LEU 11 Cb 0.53 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.72 2py1 n LEU 11 CO 0.29 -2.04 0.00 1.67 -0.00 0.00 0.00 177.39 177.32 2py1 n GLN 12 N 0.50 0.00 -4.30 1.47 0.00 -1.20 -4.89 117.38 108.96 2py1 n GLN 12 Ca 0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.87 2py1 n GLN 12 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.48 2py1 n GLN 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2py1 s SER 13 N -1.90 2.60 0.03 1.69 0.01 -0.98 -5.05 113.70 110.11 2py1 s SER 13 Ca 0.00 -0.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 2py1 s SER 13 Cb 0.00 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 2py1 s SER 13 CO 0.00 0.05 0.14 0.00 0.41 0.00 0.00 173.24 173.84 2py1 s GLN 14 N -2.05 0.61 -0.15 12.44 -2.07 -1.26 -2.15 119.66 125.01 2py1 s GLN 14 Ca 0.08 -0.64 0.01 0.00 -1.82 0.00 0.00 55.36 52.99 2py1 s GLN 14 Cb -0.09 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 2py1 s GLN 14 CO 0.05 -0.16 -0.17 -1.21 -1.32 0.00 0.00 175.29 172.47 2py1 s GLU 15 N -2.37 3.14 -0.64 9.60 2.02 -1.22 -4.80 118.70 124.43 2py1 s GLU 15 Ca -0.07 -0.79 -0.18 0.00 0.02 0.00 0.00 54.97 53.96 2py1 s GLU 15 Cb -0.02 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.66 2py1 s GLU 15 CO -0.03 -0.02 0.64 0.09 0.02 0.00 0.00 175.26 175.95 2py1 n ASN 16 N 4.14 -5.50 -0.01 -0.19 3.02 -1.26 -4.58 115.26 110.88 2py1 n ASN 16 Ca -0.19 -0.48 -0.17 0.00 -0.03 0.00 0.00 54.58 53.71 2py1 n ASN 16 Cb 0.51 -2.13 -0.12 0.00 -0.61 0.00 0.00 39.78 37.43 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 0.91 0.36 0.00 3.10 -5.15 -1.98 -3.23 116.94 110.95 2py1 h PHE 17 Ca -0.53 -0.22 -0.02 0.00 -0.20 0.00 0.00 57.97 57.00 2py1 h PHE 17 Cb 1.36 -0.03 -0.00 0.00 0.22 0.00 0.00 35.95 37.49 2py1 h PHE 17 CO 0.12 1.08 -0.09 1.05 -2.00 0.00 0.00 178.31 178.48 2py1 h GLU 18 N -0.46 0.00 -0.97 6.09 4.11 -1.94 -2.03 114.58 119.38 2py1 h GLU 18 Ca -0.06 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.39 2py1 h GLU 18 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2py1 h GLU 18 CO 0.08 0.09 0.64 0.00 0.07 0.00 0.00 179.01 179.88 2py1 h ALA 19 N 1.91 1.25 0.00 1.06 0.00 -1.92 0.86 119.26 122.43 2py1 h ALA 19 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2py1 h ALA 19 Cb 0.29 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2py1 h ALA 19 CO 0.01 0.57 -0.15 0.35 0.00 0.00 0.00 179.25 180.03 2py1 h PHE 20 N 1.27 0.00 0.19 0.00 3.57 -1.46 -0.96 116.94 119.55 2py1 h PHE 20 Ca 0.37 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.55 2py1 h PHE 20 Cb -0.08 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.68 2py1 h PHE 20 CO -0.00 0.15 -1.48 0.52 -2.23 0.00 0.00 178.31 175.26 2py1 h MET 21 N 0.00 0.40 0.00 1.11 2.86 -1.05 -3.21 114.93 115.04 2py1 h MET 21 Ca -0.00 -0.69 -0.07 0.00 -2.06 0.00 0.00 59.70 56.88 2py1 h MET 21 Cb 0.36 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2py1 h MET 21 CO 0.02 1.31 -0.35 -0.22 1.06 0.00 0.00 176.91 178.73 2py1 h LYS 22 N 0.11 0.00 -0.36 1.72 1.63 -0.51 0.94 116.57 120.10 2py1 h LYS 22 Ca -0.24 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.47 2py1 h LYS 22 Cb 2.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.70 2py1 h LYS 22 CO 0.22 0.35 -0.15 0.00 -3.45 0.00 0.00 179.45 176.43 2py1 h ALA 23 N 1.65 1.07 0.00 5.00 0.00 -1.23 -2.62 119.26 123.12 2py1 h ALA 23 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2py1 h ALA 23 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2py1 h ALA 23 CO 0.05 0.57 -1.14 -0.84 0.00 0.00 0.00 179.25 177.89 2py1 h ILE 24 N 0.59 0.38 -0.10 0.00 3.07 -1.44 -3.42 117.51 116.59 2py1 h ILE 24 Ca 0.10 -1.69 0.00 0.00 1.55 0.00 0.00 64.86 64.82 2py1 h ILE 24 Cb 0.59 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2py1 h ILE 24 CO 0.04 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 177.96 2py1 n GLY 25 N 1.30 0.59 3.75 0.16 0.00 0.13 -5.11 105.19 106.01 2py1 n GLY 25 Ca -0.05 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.10 3.82 0.00 0.99 2.96 0.28 -4.96 118.68 121.67 2py1 s LEU 26 Ca 0.00 0.19 -0.19 0.00 -0.22 0.00 0.00 54.13 53.91 2py1 s LEU 26 Cb 0.00 -2.02 0.27 0.00 0.50 0.00 0.00 46.19 44.94 2py1 s LEU 26 CO 0.00 0.34 1.24 -0.81 -1.32 0.00 0.00 176.35 175.80 2py1 n PRO 27 N 1.76 -2.24 0.19 0.98 -0.04 -1.26 -4.37 135.00 130.02 2py1 n PRO 27 Ca -0.17 -1.94 0.08 0.00 -0.04 0.00 0.00 63.50 61.43 2py1 n PRO 27 Cb 0.53 -1.53 0.25 0.00 -0.04 0.00 0.00 33.50 32.71 2py1 n PRO 27 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2py1 h GLU 28 N 0.00 0.00 -0.15 0.54 4.11 -1.99 -2.57 114.58 114.52 2py1 h GLU 28 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2py1 h GLU 28 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2py1 h GLU 28 CO 0.29 0.26 0.07 0.93 0.07 0.00 0.00 179.01 180.63 2py1 h GLU 29 N 0.00 0.22 -0.20 1.06 5.08 -1.97 1.44 114.58 120.22 2py1 h GLU 29 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2py1 h GLU 29 Cb 1.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2py1 h GLU 29 CO 0.03 0.29 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.66 2py1 h LEU 30 N 0.10 0.75 -0.47 1.33 3.38 -1.94 0.36 115.31 118.82 2py1 h LEU 30 Ca 0.05 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 2py1 h LEU 30 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2py1 h LEU 30 CO -0.01 1.17 -0.10 0.40 0.09 0.00 0.00 178.44 180.00 2py1 h ILE 31 N 0.49 1.27 0.00 1.22 2.04 -1.23 0.19 117.51 121.50 2py1 h ILE 31 Ca -0.00 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 2py1 h ILE 31 Cb 1.18 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2py1 h ILE 31 CO 0.12 0.42 -0.40 1.56 0.00 0.00 0.00 178.15 179.85 2py1 h GLN 32 N 0.75 0.00 0.05 2.37 4.20 0.21 -1.14 115.11 121.55 2py1 h GLN 32 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2py1 h GLN 32 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2py1 h GLN 32 CO 0.04 0.40 -0.02 0.87 -0.67 0.00 0.00 178.83 179.45 2py1 h LYS 33 N 0.00 -0.06 -0.77 1.46 1.57 -0.51 -2.89 116.57 115.37 2py1 h LYS 33 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2py1 h LYS 33 Cb 0.90 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 2py1 h LYS 33 CO 0.05 0.57 0.51 0.78 -0.57 0.00 0.00 179.45 180.79 2py1 h GLY 34 N -0.85 1.08 2.00 3.86 0.00 -0.61 0.11 103.07 108.66 2py1 h GLY 34 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2py1 h GLY 34 CO 0.01 0.37 -0.09 1.70 0.00 0.00 0.00 176.54 178.53 2py1 h LYS 35 N 1.01 0.00 -0.00 4.80 3.64 -1.27 0.92 116.57 125.67 2py1 h LYS 35 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2py1 h LYS 35 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2py1 h LYS 35 CO -0.07 0.09 -0.35 -3.47 -2.27 0.00 0.00 179.45 173.38 2py1 n ASP 36 N -3.43 0.41 -4.46 4.20 2.03 0.30 -4.79 116.55 110.81 2py1 n ASP 36 Ca -0.01 -0.12 -0.33 0.00 0.52 0.00 0.00 54.79 54.84 2py1 n ASP 36 Cb 0.24 0.05 -0.13 0.00 -0.72 0.00 0.00 41.12 40.56 2py1 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2py1 s ILE 37 N -2.94 3.32 0.16 5.18 -1.09 0.32 -5.08 121.20 121.06 2py1 s ILE 37 Ca 0.13 -0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 2py1 s ILE 37 Cb 0.18 -2.37 -0.07 0.00 -1.58 0.00 0.00 42.46 38.61 2py1 s ILE 37 CO 0.64 0.55 1.14 -1.59 -1.23 0.00 0.00 174.94 174.44 2py1 s LYS 38 N -0.14 4.54 -0.81 2.79 -2.85 -1.26 -4.86 119.74 117.15 2py1 s LYS 38 Ca 0.00 1.76 -0.19 0.00 -1.00 0.00 0.00 55.97 56.55 2py1 s LYS 38 Cb -0.13 -3.28 0.13 0.00 -2.06 0.00 0.00 37.83 32.49 2py1 s LYS 38 CO 0.03 -0.01 0.97 0.20 0.10 0.00 0.00 175.35 176.64 2py1 s GLY 39 N 0.11 1.92 -0.15 0.59 0.00 -1.26 -4.98 107.32 103.55 2py1 s GLY 39 Ca 0.51 -2.60 -0.02 0.00 0.00 0.00 0.00 44.72 42.61 2py1 s GLY 39 CO 0.35 1.83 -0.07 0.14 0.00 0.00 0.00 173.10 175.34 2py1 s VAL 40 N 2.53 3.54 -0.17 1.40 1.01 -1.26 -3.31 120.40 124.13 2py1 s VAL 40 Ca 0.25 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2py1 s VAL 40 Cb -0.11 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2py1 s VAL 40 CO -0.03 0.50 -0.20 -0.44 0.00 0.00 0.00 175.10 174.93 2py1 s SER 41 N 0.47 3.08 0.01 3.32 0.01 -1.25 -4.45 113.70 114.89 2py1 s SER 41 Ca -0.06 -0.63 -0.14 0.00 1.31 0.00 0.00 55.95 56.43 2py1 s SER 41 Cb -0.15 -1.45 -0.06 0.00 0.21 0.00 0.00 66.02 64.58 2py1 s SER 41 CO 0.03 0.00 0.41 -1.61 0.41 0.00 0.00 173.24 172.48 2py1 s GLU 42 N 1.27 3.90 -0.15 12.44 2.02 -1.26 -4.30 118.70 132.62 2py1 s GLU 42 Ca 0.04 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.42 2py1 s GLU 42 Cb -0.13 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2py1 s GLU 42 CO -0.12 0.67 -0.14 0.42 0.02 0.00 0.00 175.26 176.11 2py1 s ILE 43 N -1.12 2.82 -0.07 -1.63 1.01 -1.24 -3.60 121.20 117.37 2py1 s ILE 43 Ca 0.25 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2py1 s ILE 43 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2py1 s ILE 43 CO 0.14 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.73 2py1 s VAL 44 N 0.65 2.71 0.03 2.92 1.01 0.78 -3.40 120.40 125.10 2py1 s VAL 44 Ca -0.07 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2py1 s VAL 44 Cb -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2py1 s VAL 44 CO 0.02 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 2py1 s GLN 45 N -0.30 0.97 -0.42 2.72 1.03 -1.25 -0.17 119.66 122.24 2py1 s GLN 45 Ca 0.02 -0.70 0.06 0.00 0.04 0.00 0.00 55.36 54.78 2py1 s GLN 45 Cb -0.13 -0.97 0.17 0.00 0.03 0.00 0.00 33.01 32.12 2py1 s GLN 45 CO 0.03 0.25 0.55 -0.80 -2.54 0.00 0.00 175.29 172.77 2py1 s ASN 46 N -0.95 -0.47 0.00 12.60 -0.87 -0.03 -4.92 114.94 120.30 2py1 s ASN 46 Ca 0.02 -1.40 0.00 0.00 -1.57 0.00 0.00 52.86 49.91 2py1 s ASN 46 Cb -0.07 1.34 0.00 0.00 -0.02 0.00 0.00 41.25 42.50 2py1 s ASN 46 CO 0.01 -0.17 0.00 0.61 -2.57 0.00 0.00 177.10 174.98 2py1 n GLY 47 N 3.93 1.02 1.40 0.66 0.00 -1.26 -2.53 105.19 108.41 2py1 n GLY 47 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2py1 n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2py1 n LYS 48 N 0.00 0.00 -2.27 1.61 2.85 -1.26 -5.08 118.16 114.01 2py1 n LYS 48 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2py1 n LYS 48 Cb 0.00 -0.13 -0.03 0.00 -0.65 0.00 0.00 35.03 34.22 2py1 n LYS 48 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2py1 s HIS 49 N -1.70 3.32 -0.08 5.58 -3.43 -1.05 -4.25 115.29 113.68 2py1 s HIS 49 Ca 0.00 1.11 0.03 0.00 -0.80 0.00 0.00 55.06 55.40 2py1 s HIS 49 Cb 0.00 -3.57 -0.02 0.00 -1.43 0.00 0.00 32.58 27.56 2py1 s HIS 49 CO 0.00 -1.91 -0.17 -0.06 -2.00 0.00 0.00 174.74 170.60 2py1 s PHE 50 N 0.99 2.66 -0.03 0.38 0.40 0.36 -0.85 117.98 121.88 2py1 s PHE 50 Ca 0.62 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 56.27 2py1 s PHE 50 Cb -0.34 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 2py1 s PHE 50 CO 0.30 -0.09 0.43 0.21 0.70 0.00 0.00 175.22 176.78 2py1 s LYS 51 N -0.16 4.05 0.24 0.44 2.20 0.76 -1.89 119.74 125.39 2py1 s LYS 51 Ca -0.02 0.43 0.10 0.00 -0.36 0.00 0.00 55.97 56.12 2py1 s LYS 51 Cb -0.14 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2py1 s LYS 51 CO 0.03 0.54 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.45 2py1 s PHE 52 N -0.61 2.62 0.00 4.03 0.40 -1.08 -0.15 117.98 123.19 2py1 s PHE 52 Ca 0.24 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2py1 s PHE 52 Cb -0.16 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 2py1 s PHE 52 CO 0.13 0.61 -0.05 0.99 0.70 0.00 0.00 175.22 177.60 2py1 s THR 53 N -2.18 0.34 -0.19 0.64 2.01 -1.24 -4.08 115.64 110.94 2py1 s THR 53 Ca 0.29 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2py1 s THR 53 Cb -0.07 -0.32 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2py1 s THR 53 CO 0.18 0.00 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.36 2py1 s ILE 54 N -0.32 1.70 -0.98 1.82 1.01 -1.26 -4.37 121.20 118.80 2py1 s ILE 54 Ca -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2py1 s ILE 54 Cb -0.03 -1.71 0.30 0.00 0.01 0.00 0.00 42.46 41.03 2py1 s ILE 54 CO -0.00 0.27 1.36 0.41 0.00 0.00 0.00 174.94 176.98 2py1 n THR 55 N 4.68 4.80 -1.30 2.92 -1.04 -1.25 -3.29 114.28 119.80 2py1 n THR 55 Ca -0.16 -5.81 -0.31 0.00 -2.04 0.00 0.00 64.05 55.73 2py1 n THR 55 Cb 0.47 -2.03 -0.07 0.00 -1.82 0.00 0.00 70.33 66.89 2py1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2py1 n ALA 56 N 1.09 7.11 -0.53 2.41 0.00 -1.18 -4.27 120.51 125.14 2py1 n ALA 56 Ca 0.28 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2py1 n ALA 56 Cb 0.34 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.84 2py1 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2py1 n GLY 57 N 2.94 0.74 5.00 0.00 0.00 -1.26 -4.52 105.19 108.10 2py1 n GLY 57 Ca 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.47 0.00 -4.41 1.61 2.88 -1.26 -4.93 113.62 107.04 2py1 n SER 58 Ca 0.00 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.06 2py1 n SER 58 Cb 0.18 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 2py1 n SER 58 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2py1 n LYS 59 N 0.00 0.05 -4.34 -1.46 2.85 -1.26 -4.84 118.16 109.16 2py1 n LYS 59 Ca 0.00 0.02 -0.24 0.00 -1.05 0.00 0.00 58.31 57.04 2py1 n LYS 59 Cb 0.00 -1.05 -0.12 0.00 -0.65 0.00 0.00 35.03 33.21 2py1 n LYS 59 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2py1 s VAL 60 N -0.96 1.92 -0.07 0.58 1.01 -1.25 -3.07 120.40 118.56 2py1 s VAL 60 Ca 0.65 -1.79 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2py1 s VAL 60 Cb -0.94 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2py1 s VAL 60 CO 0.56 -0.15 -0.18 -0.63 0.00 0.00 0.00 175.10 174.70 2py1 s ILE 61 N -1.58 1.58 -0.28 2.22 1.01 -1.21 -4.94 121.20 118.01 2py1 s ILE 61 Ca 0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 2py1 s ILE 61 Cb -0.08 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2py1 s ILE 61 CO 0.06 0.45 0.14 0.00 0.00 0.00 0.00 174.94 175.60 2py1 s GLN 62 N 0.29 3.69 -0.15 2.79 0.00 -1.26 -4.06 119.66 120.95 2py1 s GLN 62 Ca -0.11 -0.48 -0.21 0.00 -0.00 0.00 0.00 55.36 54.55 2py1 s GLN 62 Cb -0.15 -3.54 0.05 0.00 0.00 0.00 0.00 33.01 29.38 2py1 s GLN 62 CO 0.05 -0.25 0.55 1.21 0.00 0.00 0.00 175.29 176.85 2py1 s ASN 63 N 1.68 -0.54 -0.06 12.60 3.84 -1.26 -5.10 114.94 126.10 2py1 s ASN 63 Ca 0.06 0.89 0.04 0.00 0.21 0.00 0.00 52.86 54.06 2py1 s ASN 63 Cb -0.16 0.89 -0.02 0.00 -0.55 0.00 0.00 41.25 41.41 2py1 s ASN 63 CO 0.07 -0.32 -0.16 -1.83 -2.79 0.00 0.00 177.10 172.07 2py1 s GLU 64 N -0.27 2.58 0.05 0.43 -1.05 -1.26 -2.64 118.70 116.53 2py1 s GLU 64 Ca -0.04 -0.73 0.05 0.00 -0.15 0.00 0.00 54.97 54.09 2py1 s GLU 64 Cb -0.03 -2.36 -0.02 0.00 -0.44 0.00 0.00 34.13 31.27 2py1 s GLU 64 CO 0.03 0.55 -0.14 0.12 0.95 0.00 0.00 175.26 176.77 2py1 s PHE 65 N -0.54 1.25 -0.04 4.83 2.19 -0.79 -5.02 117.98 119.86 2py1 s PHE 65 Ca 0.07 -0.38 0.06 0.00 0.33 0.00 0.00 56.93 57.01 2py1 s PHE 65 Cb -0.11 -0.73 -0.02 0.00 -1.31 0.00 0.00 43.02 40.85 2py1 s PHE 65 CO 0.01 0.05 -0.23 0.99 1.83 0.00 0.00 175.22 177.87 2py1 s THR 66 N -0.97 2.30 0.50 0.12 2.01 -1.26 -0.49 115.64 117.85 2py1 s THR 66 Ca 0.01 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 2py1 s THR 66 Cb -0.08 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 2py1 s THR 66 CO 0.02 0.58 0.96 -0.69 -0.69 0.00 0.00 174.62 174.79 2py1 s VAL 67 N -0.49 4.57 0.00 3.82 1.01 -1.26 -3.63 120.40 124.42 2py1 s VAL 67 Ca 0.06 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2py1 s VAL 67 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2py1 s VAL 67 CO 0.01 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.05 2py1 n GLY 68 N -1.53 3.06 3.22 4.51 0.00 -0.99 -4.98 105.19 108.48 2py1 n GLY 68 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.30 1.62 -0.02 1.61 2.12 -1.24 -4.99 118.70 117.49 2py1 s GLU 69 Ca 0.00 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.29 2py1 s GLU 69 Cb 0.00 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.76 2py1 s GLU 69 CO 0.00 0.43 0.84 -2.00 -0.54 0.00 0.00 175.26 174.00 2py1 s GLU 70 N -0.61 4.51 0.43 4.30 2.12 -1.26 -4.44 118.70 123.74 2py1 s GLU 70 Ca 0.08 1.16 0.05 0.00 0.36 0.00 0.00 54.97 56.62 2py1 s GLU 70 Cb -0.08 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 2py1 s GLU 70 CO -0.00 0.03 0.01 0.00 -0.54 0.00 0.00 175.26 174.76 2py1 s GLU 72 N -3.76 2.61 -0.06 0.00 -1.05 -1.26 0.73 118.70 115.91 2py1 s GLU 72 Ca 0.27 -0.69 0.06 0.00 -0.15 0.00 0.00 54.97 54.46 2py1 s GLU 72 Cb 0.08 -2.25 -0.01 0.00 -0.44 0.00 0.00 34.13 31.50 2py1 s GLU 72 CO 0.14 -0.15 -0.23 -0.48 0.95 0.00 0.00 175.26 175.48 2py1 s LEU 73 N 1.21 2.17 -0.37 1.83 0.05 -0.45 -4.91 118.68 118.21 2py1 s LEU 73 Ca 0.01 -0.47 -0.29 0.00 0.05 0.00 0.00 54.13 53.43 2py1 s LEU 73 Cb -0.14 -1.40 0.01 0.00 -2.05 0.00 0.00 46.19 42.61 2py1 s LEU 73 CO -0.08 0.26 1.33 -0.70 -0.55 0.00 0.00 176.35 176.61 2py1 s GLU 74 N -0.22 3.74 0.00 1.48 2.12 -1.26 -2.86 118.70 121.69 2py1 s GLU 74 Ca -0.02 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2py1 s GLU 74 Cb -0.13 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2py1 s GLU 74 CO 0.03 -1.36 0.00 0.25 -0.54 0.00 0.00 175.26 173.65 2py1 n THR 75 N 6.68 0.00 1.29 -1.70 -2.24 0.12 -4.88 114.28 113.55 2py1 n THR 75 Ca 0.15 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 2py1 n THR 75 Cb 0.47 -0.01 0.41 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.71 0.94 -0.38 -0.78 0.00 -1.26 -3.55 117.12 110.37 2py1 n MET 76 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 57.70 57.26 2py1 n MET 76 Cb 0.00 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.04 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 -0.56 1.04 -1.75 3.17 -1.04 -1.26 -4.90 114.28 108.98 2py1 n THR 77 Ca 0.13 -0.94 -0.09 0.00 -2.04 0.00 0.00 64.05 61.11 2py1 n THR 77 Cb 0.34 0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 69.23 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 1.50 0.52 3.67 3.41 0.00 -1.23 -5.02 105.19 108.03 2py1 n GLY 78 Ca 0.23 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.67 2.46 -0.28 1.61 2.02 -1.26 -4.93 118.70 114.65 2py1 s GLU 79 Ca 0.00 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 2py1 s GLU 79 Cb 0.00 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.78 2py1 s GLU 79 CO 0.00 0.50 0.05 0.15 0.02 0.00 0.00 175.26 175.98 2py1 s LYS 80 N -2.58 3.17 0.07 1.61 1.02 -1.26 0.14 119.74 121.92 2py1 s LYS 80 Ca 0.26 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.55 2py1 s LYS 80 Cb -0.11 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2py1 s LYS 80 CO 0.18 -0.38 -0.26 0.14 -0.92 0.00 0.00 175.35 174.12 2py1 s VAL 81 N 1.49 2.09 -0.40 3.17 -7.23 -1.14 -4.97 120.40 113.42 2py1 s VAL 81 Ca 0.03 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 2py1 s VAL 81 Cb -0.16 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.98 2py1 s VAL 81 CO 0.01 0.26 0.38 -1.59 -0.31 0.00 0.00 175.10 173.84 2py1 s LYS 82 N -1.47 3.13 0.14 4.82 0.00 -1.26 -1.34 119.74 123.76 2py1 s LYS 82 Ca 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 55.97 55.34 2py1 s LYS 82 Cb -0.10 -3.94 -0.04 0.00 0.00 0.00 0.00 37.83 33.75 2py1 s LYS 82 CO 0.03 -0.76 0.11 0.95 0.00 0.00 0.00 175.35 175.68 2py1 s THR 83 N 1.96 4.48 0.05 3.79 -4.23 0.22 -4.28 115.64 117.63 2py1 s THR 83 Ca 0.10 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.67 2py1 s THR 83 Cb -0.18 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 2py1 s THR 83 CO 0.12 -0.04 -0.17 0.54 -0.54 0.00 0.00 174.62 174.54 2py1 s VAL 84 N -1.64 1.35 -0.20 2.29 0.11 -1.21 -0.65 120.40 120.46 2py1 s VAL 84 Ca 0.30 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 2py1 s VAL 84 Cb -0.11 -1.22 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 2py1 s VAL 84 CO 0.23 0.02 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.16 2py1 s VAL 85 N -0.93 2.15 0.06 2.04 1.01 -1.26 -2.86 120.40 120.60 2py1 s VAL 85 Ca 0.03 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.05 2py1 s VAL 85 Cb -0.09 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2py1 s VAL 85 CO 0.02 0.43 -0.19 -1.58 0.00 0.00 0.00 175.10 173.78 2py1 s GLN 86 N 1.27 1.97 -0.07 2.72 0.74 0.59 -2.35 119.66 124.52 2py1 s GLN 86 Ca 0.03 -1.05 0.05 0.00 0.05 0.00 0.00 55.36 54.44 2py1 s GLN 86 Cb -0.14 -2.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.81 2py1 s GLN 86 CO -0.11 0.52 -0.24 -0.48 -0.55 0.00 0.00 175.29 174.43 2py1 s LEU 87 N -1.59 2.06 -0.31 3.68 0.05 -1.26 0.18 118.68 121.50 2py1 s LEU 87 Ca 0.15 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.82 2py1 s LEU 87 Cb -0.10 -1.36 0.14 0.00 -2.05 0.00 0.00 46.19 42.82 2py1 s LEU 87 CO 0.06 0.21 0.32 -0.70 -0.55 0.00 0.00 176.35 175.70 2py1 s GLU 88 N 0.01 0.41 0.00 1.48 2.12 -1.08 -4.99 118.70 116.65 2py1 s GLU 88 Ca -0.09 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2py1 s GLU 88 Cb -0.15 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2py1 s GLU 88 CO 0.05 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 2py1 n GLY 89 N 5.04 0.34 0.02 -1.50 0.00 -1.26 -4.42 105.19 103.42 2py1 n GLY 89 Ca 0.01 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.30 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 2.29 -2.78 1.61 9.92 -1.26 -4.80 116.55 121.54 2py1 n ASP 90 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2py1 n ASP 90 Cb 0.00 1.36 0.05 0.00 -0.64 0.00 0.00 41.12 41.89 2py1 n ASP 90 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2py1 n ASN 91 N -2.03 -2.63 -3.71 -2.24 3.02 -1.26 -5.12 115.26 101.30 2py1 n ASN 91 Ca -0.06 -3.33 -0.12 0.00 -0.03 0.00 0.00 54.58 51.04 2py1 n ASN 91 Cb 0.44 1.69 -0.13 0.00 -0.61 0.00 0.00 39.78 41.18 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2py1 s LYS 92 N 0.51 0.22 -0.14 3.52 2.20 -1.26 -3.10 119.74 121.68 2py1 s LYS 92 Ca 0.31 0.62 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 2py1 s LYS 92 Cb 0.24 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2py1 s LYS 92 CO -0.21 -0.19 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.21 2py1 s LEU 93 N 1.56 2.20 -0.21 5.43 0.20 -1.02 -2.64 118.68 124.19 2py1 s LEU 93 Ca -0.07 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.20 2py1 s LEU 93 Cb -0.11 -1.47 0.03 0.00 -0.43 0.00 0.00 46.19 44.22 2py1 s LEU 93 CO -0.09 0.09 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.21 2py1 s VAL 94 N 0.73 2.17 0.04 1.68 1.01 0.48 -0.78 120.40 125.73 2py1 s VAL 94 Ca -0.09 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 60.79 2py1 s VAL 94 Cb -0.16 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2py1 s VAL 94 CO 0.00 0.36 -0.10 0.28 0.00 0.00 0.00 175.10 175.64 2py1 s THR 95 N 1.24 0.72 0.23 3.92 -1.32 -1.20 0.22 115.64 119.45 2py1 s THR 95 Ca 0.01 -0.95 0.11 0.00 -1.21 0.00 0.00 61.69 59.65 2py1 s THR 95 Cb -0.15 -0.71 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 2py1 s THR 95 CO -0.10 -0.20 -0.20 -0.89 -2.21 0.00 0.00 174.62 171.02 2py1 s THR 96 N -1.04 2.28 0.44 5.08 2.01 -1.14 -2.64 115.64 120.63 2py1 s THR 96 Ca -0.04 -2.23 0.07 0.00 0.31 0.00 0.00 61.69 59.79 2py1 s THR 96 Cb -0.08 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 2py1 s THR 96 CO 0.01 -0.34 0.25 0.12 -0.69 0.00 0.00 174.62 173.97 2py1 s PHE 97 N -2.29 2.42 0.25 4.92 5.36 0.20 -3.29 117.98 125.55 2py1 s PHE 97 Ca 0.25 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.65 2py1 s PHE 97 Cb -0.05 -1.98 0.72 0.00 -0.34 0.00 0.00 43.02 41.38 2py1 s PHE 97 CO 0.12 0.01 1.16 0.36 -1.46 0.00 0.00 175.22 175.41 2py1 n LYS 98 N -1.39 -0.05 -2.47 10.12 -0.00 -1.26 -2.66 118.16 120.44 2py1 n LYS 98 Ca -0.01 1.08 -0.02 0.00 -0.00 0.00 0.00 58.31 59.35 2py1 n LYS 98 Cb 0.64 -1.79 0.10 0.00 -0.00 0.00 0.00 35.03 33.98 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 -4.90 -1.29 -3.76 -5.58 2.85 -1.26 -5.06 115.26 96.26 2py1 n ASN 99 Ca 0.21 -2.19 -0.22 0.00 -0.11 0.00 0.00 54.58 52.28 2py1 n ASN 99 Cb 0.71 0.60 -0.18 0.00 1.24 0.00 0.00 39.78 42.15 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 -0.03 0.29 -0.27 -1.44 1.01 -1.09 -5.05 121.20 114.62 2py1 s ILE 100 Ca 0.09 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 2py1 s ILE 100 Cb 0.39 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 42.40 2py1 s ILE 100 CO -0.11 0.24 0.83 -1.59 0.00 0.00 0.00 174.94 174.31 2py1 s LYS 101 N 1.94 4.08 -0.05 2.79 -2.85 -1.26 0.62 119.74 125.01 2py1 s LYS 101 Ca 0.04 0.80 0.06 0.00 -1.00 0.00 0.00 55.97 55.87 2py1 s LYS 101 Cb -0.12 -3.69 -0.01 0.00 -2.06 0.00 0.00 37.83 31.95 2py1 s LYS 101 CO -0.05 -0.61 -0.24 -1.12 0.10 0.00 0.00 175.35 173.44 2py1 s SER 102 N 1.48 2.88 -0.15 0.03 0.01 -1.08 -4.38 113.70 112.49 2py1 s SER 102 Ca 0.34 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2py1 s SER 102 Cb -0.15 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.35 2py1 s SER 102 CO 0.10 0.23 -0.16 -0.69 0.41 0.00 0.00 173.24 173.13 2py1 s VAL 103 N -0.16 1.68 -0.09 3.43 1.01 -1.24 -3.23 120.40 121.80 2py1 s VAL 103 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2py1 s VAL 103 Cb -0.13 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2py1 s VAL 103 CO 0.03 0.48 -0.03 -0.89 0.00 0.00 0.00 175.10 174.69 2py1 s THR 104 N 1.35 4.06 0.08 3.92 2.01 0.04 -3.15 115.64 123.95 2py1 s THR 104 Ca 0.03 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 2py1 s THR 104 Cb -0.13 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2py1 s THR 104 CO -0.09 0.59 0.13 -0.70 -0.69 0.00 0.00 174.62 173.86 2py1 s GLU 105 N -0.75 0.80 -0.17 4.92 2.12 -1.25 -2.43 118.70 121.94 2py1 s GLU 105 Ca 0.11 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.39 2py1 s GLU 105 Cb -0.11 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.59 2py1 s GLU 105 CO 0.02 -0.23 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.81 2py1 s LEU 106 N -2.89 2.23 -0.32 2.70 1.43 -1.18 -4.08 118.68 116.56 2py1 s LEU 106 Ca 0.07 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2py1 s LEU 106 Cb 0.06 -1.50 0.11 0.00 0.03 0.00 0.00 46.19 44.89 2py1 s LEU 106 CO -0.10 0.03 0.16 0.20 0.23 0.00 0.00 176.35 176.86 2py1 s ASN 107 N 1.15 3.47 1.98 2.29 -0.87 -1.05 -5.00 114.94 116.90 2py1 s ASN 107 Ca 0.01 -1.71 0.00 0.00 -1.57 0.00 0.00 52.86 49.59 2py1 s ASN 107 Cb -0.14 -0.50 0.00 0.00 -0.02 0.00 0.00 41.25 40.59 2py1 s ASN 107 CO -0.08 -0.38 0.00 0.61 -2.57 0.00 0.00 177.10 174.67 2py1 n GLY 108 N 4.70 3.10 0.57 0.66 0.00 -1.26 -0.47 105.19 112.49 2py1 n GLY 108 Ca 0.01 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 10.17 3.13 -4.27 1.61 8.00 -1.26 -4.95 116.55 128.98 2py1 n ASP 109 Ca 0.00 -2.62 -0.32 0.00 0.71 0.00 0.00 54.79 52.56 2py1 n ASP 109 Cb 0.00 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.57 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 -2.10 2.40 -0.17 0.53 -1.09 0.38 -3.39 121.20 117.76 2py1 s ILE 110 Ca 0.30 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.81 2py1 s ILE 110 Cb 0.23 -1.96 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 2py1 s ILE 110 CO 0.09 0.54 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.61 2py1 s ILE 111 N 0.41 3.12 -0.25 2.92 1.01 -1.24 -2.54 121.20 124.63 2py1 s ILE 111 Ca -0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2py1 s ILE 111 Cb -0.17 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2py1 s ILE 111 CO 0.07 0.48 0.09 -0.89 0.00 0.00 0.00 174.94 174.69 2py1 s THR 112 N 0.90 4.46 -0.07 2.92 2.01 -1.26 -4.12 115.64 120.48 2py1 s THR 112 Ca -0.02 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2py1 s THR 112 Cb -0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2py1 s THR 112 CO 0.00 0.33 -0.05 0.20 -0.69 0.00 0.00 174.62 174.41 2py1 s ASN 113 N 1.62 4.82 -0.13 3.53 -0.87 -1.24 -3.83 114.94 118.83 2py1 s ASN 113 Ca 0.06 0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.38 2py1 s ASN 113 Cb -0.15 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.25 39.82 2py1 s ASN 113 CO 0.05 0.36 -0.16 0.42 -2.57 0.00 0.00 177.10 175.20 2py1 s THR 114 N -0.85 2.71 -0.07 1.60 -4.23 -1.19 -3.67 115.64 109.94 2py1 s THR 114 Ca 0.13 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 2py1 s THR 114 Cb -0.11 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.63 2py1 s THR 114 CO 0.02 0.53 0.22 -0.04 -0.54 0.00 0.00 174.62 174.81 2py1 s MET 115 N 0.51 0.30 -0.18 3.99 -1.94 -1.25 -3.63 119.30 117.09 2py1 s MET 115 Ca -0.11 0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 2py1 s MET 115 Cb -0.16 0.14 0.04 0.00 2.01 0.00 0.00 34.83 36.86 2py1 s MET 115 CO 0.04 -0.05 -0.10 -0.08 -0.01 0.00 0.00 175.02 174.83 2py1 s THR 116 N -0.12 1.51 -0.06 2.05 -1.32 -1.26 -3.25 115.64 113.19 2py1 s THR 116 Ca -0.02 -0.84 -0.05 0.00 -1.21 0.00 0.00 61.69 59.57 2py1 s THR 116 Cb -0.02 -1.57 0.02 0.00 -1.51 0.00 0.00 72.50 69.42 2py1 s THR 116 CO 0.01 0.22 0.15 -0.76 -2.21 0.00 0.00 174.62 172.04 2py1 s LEU 117 N 1.47 1.18 -1.31 9.08 1.02 -0.22 -4.83 118.68 125.07 2py1 s LEU 117 Ca 0.01 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2py1 s LEU 117 Cb -0.15 0.49 0.00 0.00 0.02 0.00 0.00 46.19 46.55 2py1 s LEU 117 CO -0.09 -0.08 0.00 0.61 0.02 0.00 0.00 176.35 176.81 2py1 n GLY 118 N 3.39 -0.29 2.73 -3.19 0.00 -1.26 0.16 105.19 106.73 2py1 n GLY 118 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.74 -2.63 -4.51 1.61 -0.08 -1.26 -4.97 116.55 102.98 2py1 n ASP 119 Ca -0.17 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.75 2py1 n ASP 119 Cb 0.62 -1.37 -0.12 0.00 2.34 0.00 0.00 41.12 42.60 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 -2.08 4.48 -0.10 5.18 1.01 0.41 -5.08 121.20 125.01 2py1 s ILE 120 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2py1 s ILE 120 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2py1 s ILE 120 CO 0.00 0.37 -0.20 0.54 0.00 0.00 0.00 174.94 175.65 2py1 s VAL 121 N 1.22 2.41 0.05 2.92 0.11 -1.26 -1.06 120.40 124.79 2py1 s VAL 121 Ca 0.05 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2py1 s VAL 121 Cb -0.14 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2py1 s VAL 121 CO 0.03 0.55 -0.06 0.72 -3.33 0.00 0.00 175.10 173.01 2py1 s PHE 122 N 0.27 0.63 0.15 1.54 -0.71 -1.20 -5.03 117.98 113.62 2py1 s PHE 122 Ca -0.14 -0.66 0.08 0.00 -1.04 0.00 0.00 56.93 55.16 2py1 s PHE 122 Cb -0.17 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 2py1 s PHE 122 CO 0.07 -0.15 -0.06 0.15 -1.34 0.00 0.00 175.22 173.89 2py1 s LYS 123 N -2.34 2.21 -0.03 1.99 1.02 -1.26 -3.86 119.74 117.48 2py1 s LYS 123 Ca -0.04 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 54.90 2py1 s LYS 123 Cb -0.05 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2py1 s LYS 123 CO -0.02 0.47 -0.25 1.03 -0.92 0.00 0.00 175.35 175.66 2py1 s ARG 124 N -2.65 2.19 -0.04 1.68 0.52 -1.24 -3.39 118.95 116.03 2py1 s ARG 124 Ca 0.25 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 2py1 s ARG 124 Cb -0.10 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 2py1 s ARG 124 CO 0.16 0.48 -0.21 0.42 0.02 0.00 0.00 175.30 176.17 2py1 s ILE 125 N -0.44 1.72 -0.10 1.52 1.01 -0.92 -3.67 121.20 120.32 2py1 s ILE 125 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 2py1 s ILE 125 Cb -0.11 -1.45 0.04 0.00 0.01 0.00 0.00 42.46 40.95 2py1 s ILE 125 CO 0.01 0.49 0.24 -0.94 0.00 0.00 0.00 174.94 174.73 2py1 s SER 126 N -0.25 -0.25 0.31 3.58 1.04 -1.26 -2.32 113.70 114.56 2py1 s SER 126 Ca 0.01 0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.99 2py1 s SER 126 Cb -0.11 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2py1 s SER 126 CO 0.01 -0.13 0.44 -0.75 0.98 0.00 0.00 173.24 173.79 2py1 s LYS 127 N 0.85 3.26 -0.68 4.02 2.20 -1.25 -3.61 119.74 124.53 2py1 s LYS 127 Ca -0.06 -0.85 -0.27 0.00 -0.36 0.00 0.00 55.97 54.43 2py1 s LYS 127 Cb -0.07 -2.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2py1 s LYS 127 CO -0.05 0.19 1.48 0.50 -0.36 0.00 0.00 175.35 177.11 2py1 s ARG 128 N -4.13 3.02 0.00 4.03 3.52 -1.22 -3.95 118.95 120.23 2py1 s ARG 128 Ca 0.41 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2py1 s ARG 128 Cb -0.09 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.06 2py1 s ARG 128 CO 0.31 -2.31 0.00 -0.89 -0.81 0.00 0.00 175.30 171.60