#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 -0.61 -0.30 1.61 0.01 -1.26 -5.13 113.70 108.02 2py1 s SER 2 Ca 0.00 0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.57 2py1 s SER 2 Cb 0.00 1.47 0.08 0.00 0.21 0.00 0.00 66.02 67.78 2py1 s SER 2 CO 0.00 -0.11 -0.03 -0.32 0.41 0.00 0.00 173.24 173.19 2py1 s MET 3 N 2.94 1.99 -0.23 12.44 -2.45 -1.26 -5.06 119.30 127.66 2py1 s MET 3 Ca 0.08 -1.55 -0.28 0.00 -1.25 0.00 0.00 55.69 52.69 2py1 s MET 3 Cb -0.09 -3.07 0.15 0.00 1.25 0.00 0.00 34.83 33.07 2py1 s MET 3 CO -0.15 -0.73 1.15 -1.54 1.05 0.00 0.00 175.02 174.80 2py1 s SER 4 N 1.09 -0.26 -0.48 1.11 1.04 -1.26 -4.95 113.70 109.99 2py1 s SER 4 Ca -0.01 0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.84 2py1 s SER 4 Cb -0.20 0.31 0.25 0.00 0.10 0.00 0.00 66.02 66.48 2py1 s SER 4 CO -0.06 -0.19 0.93 0.49 0.98 0.00 0.00 173.24 175.39 2py1 n PHE 5 N 1.05 -3.23 -2.59 5.02 3.72 -1.26 -5.08 117.46 115.09 2py1 n PHE 5 Ca -0.08 -1.77 -0.41 0.00 -0.05 0.00 0.00 57.45 55.14 2py1 n PHE 5 Cb 0.58 1.57 -0.03 0.00 -0.94 0.00 0.00 39.48 40.65 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 -1.61 6.39 0.13 4.37 0.15 -1.26 -4.93 113.70 116.94 2py1 s SER 6 Ca 0.31 -1.15 0.02 0.00 0.70 0.00 0.00 55.95 55.83 2py1 s SER 6 Cb 0.24 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2py1 s SER 6 CO -0.22 -1.59 0.07 0.61 1.20 0.00 0.00 173.24 173.31 2py1 n GLY 7 N 6.28 3.74 3.39 9.45 0.00 -1.26 -4.99 105.19 121.80 2py1 n GLY 7 Ca 0.22 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.52 3.01 0.07 1.61 2.20 -1.26 -3.92 119.74 118.92 2py1 s LYS 8 Ca 0.10 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 55.08 2py1 s LYS 8 Cb 0.00 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2py1 s LYS 8 CO 0.07 0.36 -0.25 0.71 -0.36 0.00 0.00 175.35 175.88 2py1 s TYR 9 N -0.05 2.16 -0.02 4.03 2.02 -1.25 -4.00 117.35 120.23 2py1 s TYR 9 Ca -0.04 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.34 2py1 s TYR 9 Cb -0.14 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2py1 s TYR 9 CO 0.04 0.17 -0.24 -1.14 -1.57 0.00 0.00 175.55 172.81 2py1 s GLN 10 N -1.45 1.99 0.20 -0.62 0.74 -1.25 -3.75 119.66 115.51 2py1 s GLN 10 Ca 0.11 -0.85 -0.32 0.00 0.05 0.00 0.00 55.36 54.34 2py1 s GLN 10 Cb -0.10 -1.89 -0.12 0.00 1.10 0.00 0.00 33.01 32.00 2py1 s GLN 10 CO 0.03 0.49 1.71 1.47 -0.55 0.00 0.00 175.29 178.45 2py1 n LEU 11 N 2.55 3.91 -0.12 3.68 -0.00 -1.25 -4.00 117.00 121.77 2py1 n LEU 11 Ca -0.16 1.06 -0.23 0.00 -0.00 0.00 0.00 56.01 56.68 2py1 n LEU 11 Cb 0.52 -1.56 -0.08 0.00 -0.00 0.00 0.00 43.42 42.30 2py1 n LEU 11 CO 0.23 0.14 -1.21 0.00 -0.00 0.00 0.00 177.39 176.55 2py1 n GLN 12 N 3.94 0.55 -3.93 1.47 1.13 -1.12 -5.00 117.38 114.43 2py1 n GLN 12 Ca 0.16 0.24 -0.09 0.00 -1.94 0.00 0.00 57.00 55.36 2py1 n GLN 12 Cb 0.34 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 29.19 2py1 n GLN 12 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2py1 s SER 13 N -7.00 0.05 0.02 1.08 0.15 -1.19 -5.06 113.70 101.75 2py1 s SER 13 Ca -0.35 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2py1 s SER 13 Cb 0.11 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2py1 s SER 13 CO 0.45 -0.85 -0.03 0.00 1.20 0.00 0.00 173.24 174.01 2py1 s GLN 14 N -3.94 0.30 -0.04 5.44 -2.07 -1.26 -3.72 119.66 114.37 2py1 s GLN 14 Ca 0.14 -0.58 -0.01 0.00 -1.82 0.00 0.00 55.36 53.09 2py1 s GLN 14 Cb 0.04 0.09 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 2py1 s GLN 14 CO -0.03 -0.04 0.02 -2.00 -1.32 0.00 0.00 175.29 171.91 2py1 s GLU 15 N -1.39 0.26 -1.44 9.60 2.12 -1.26 -4.84 118.70 121.75 2py1 s GLU 15 Ca -0.15 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 2py1 s GLU 15 Cb -0.09 -0.59 0.03 0.00 0.26 0.00 0.00 34.13 33.73 2py1 s GLU 15 CO -0.01 -0.22 0.54 0.09 -0.54 0.00 0.00 175.26 175.12 2py1 n ASN 16 N 4.65 -1.13 0.05 -1.70 3.02 -1.26 -4.45 115.26 114.43 2py1 n ASN 16 Ca -0.16 -0.96 -0.16 0.00 -0.03 0.00 0.00 54.58 53.26 2py1 n ASN 16 Cb 0.50 -3.22 -0.07 0.00 -0.61 0.00 0.00 39.78 36.38 2py1 n ASN 16 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2py1 h PHE 17 N -1.82 0.84 0.00 3.10 3.57 -1.95 -3.07 116.94 117.60 2py1 h PHE 17 Ca -0.62 -0.44 -0.02 0.00 3.53 0.00 0.00 57.97 60.43 2py1 h PHE 17 Cb 1.37 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 2py1 h PHE 17 CO 0.51 1.26 -0.08 0.93 -2.23 0.00 0.00 178.31 178.71 2py1 h GLU 18 N 0.34 0.00 -0.61 1.11 5.08 -1.98 -2.41 114.58 116.11 2py1 h GLU 18 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2py1 h GLU 18 Cb 1.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 2py1 h GLU 18 CO 0.18 0.08 0.22 0.00 -1.00 0.00 0.00 179.01 178.48 2py1 h ALA 19 N 1.92 0.80 0.00 3.43 0.00 -1.91 0.13 119.26 123.63 2py1 h ALA 19 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2py1 h ALA 19 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2py1 h ALA 19 CO 0.01 0.44 -0.18 0.35 0.00 0.00 0.00 179.25 179.86 2py1 h PHE 20 N 0.86 0.00 0.14 0.00 3.57 -1.51 -1.21 116.94 118.79 2py1 h PHE 20 Ca 0.20 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.41 2py1 h PHE 20 Cb 0.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.99 2py1 h PHE 20 CO 0.01 0.18 -1.38 0.52 -2.23 0.00 0.00 178.31 175.41 2py1 h MET 21 N 0.00 0.30 0.00 1.11 2.86 -1.33 -3.24 114.93 114.64 2py1 h MET 21 Ca -0.00 -0.52 -0.07 0.00 -2.06 0.00 0.00 59.70 57.05 2py1 h MET 21 Cb 0.38 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2py1 h MET 21 CO 0.02 1.21 -0.35 -0.22 1.06 0.00 0.00 176.91 178.64 2py1 h LYS 22 N 0.08 0.00 -0.42 1.72 1.63 -0.32 1.03 116.57 120.29 2py1 h LYS 22 Ca -0.19 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.52 2py1 h LYS 22 Cb 2.02 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.63 2py1 h LYS 22 CO 0.20 0.35 -0.10 0.00 -3.45 0.00 0.00 179.45 176.45 2py1 h ALA 23 N 1.65 1.04 0.00 5.00 0.00 -1.27 -2.54 119.26 123.14 2py1 h ALA 23 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2py1 h ALA 23 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2py1 h ALA 23 CO 0.05 0.58 -0.93 -0.84 0.00 0.00 0.00 179.25 178.11 2py1 h ILE 24 N 0.67 0.41 -0.02 0.00 3.07 -1.46 -3.48 117.51 116.69 2py1 h ILE 24 Ca 0.12 -1.69 0.00 0.00 1.55 0.00 0.00 64.86 64.84 2py1 h ILE 24 Cb 0.57 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2py1 h ILE 24 CO 0.04 0.23 0.00 0.61 -1.05 0.00 0.00 178.15 177.98 2py1 n GLY 25 N 1.27 0.69 3.80 0.16 0.00 0.74 -5.10 105.19 106.75 2py1 n GLY 25 Ca -0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 4.45 0.96 0.99 2.01 0.32 -4.96 118.68 122.42 2py1 s LEU 26 Ca 0.00 1.04 -0.14 0.00 0.01 0.00 0.00 54.13 55.04 2py1 s LEU 26 Cb 0.00 -2.72 0.17 0.00 0.01 0.00 0.00 46.19 43.64 2py1 s LEU 26 CO 0.00 0.23 1.16 -2.16 1.01 0.00 0.00 176.35 176.59 2py1 s PRO 27 N -0.68 0.77 0.19 1.29 0.04 -1.26 -4.47 135.00 130.89 2py1 s PRO 27 Ca 0.26 0.15 0.07 0.00 0.04 0.00 0.00 61.00 61.52 2py1 s PRO 27 Cb -0.17 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2py1 s PRO 27 CO 0.15 -2.42 1.44 1.49 0.04 0.00 0.00 177.00 177.69 2py1 h GLU 28 N -1.66 0.07 -0.26 4.56 4.81 -1.97 -1.75 114.58 118.38 2py1 h GLU 28 Ca -0.49 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2py1 h GLU 28 Cb 1.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2py1 h GLU 28 CO 0.55 0.84 0.14 1.49 -0.73 0.00 0.00 179.01 181.30 2py1 h GLU 29 N 0.04 0.37 -0.17 1.92 4.81 -1.97 1.38 114.58 120.96 2py1 h GLU 29 Ca -0.02 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2py1 h GLU 29 Cb 1.42 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 2py1 h GLU 29 CO 0.11 0.34 -0.60 -0.07 -0.73 0.00 0.00 179.01 178.06 2py1 h LEU 30 N 0.30 0.63 -0.29 1.64 3.38 -1.95 0.87 115.31 119.90 2py1 h LEU 30 Ca 0.09 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 2py1 h LEU 30 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2py1 h LEU 30 CO -0.01 1.09 -0.08 0.40 0.09 0.00 0.00 178.44 179.93 2py1 h ILE 31 N 0.42 1.28 0.00 1.22 2.04 -0.97 0.48 117.51 121.98 2py1 h ILE 31 Ca -0.00 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 2py1 h ILE 31 Cb 1.16 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2py1 h ILE 31 CO 0.11 0.36 -0.36 -0.61 0.00 0.00 0.00 178.15 177.65 2py1 h GLN 32 N 0.33 0.00 0.08 2.37 4.15 0.19 0.22 115.11 122.45 2py1 h GLN 32 Ca 0.07 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.31 2py1 h GLN 32 Cb 0.56 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.27 2py1 h GLN 32 CO 0.03 0.36 -0.75 0.87 -1.93 0.00 0.00 178.83 177.41 2py1 h LYS 33 N 0.00 0.37 -0.25 1.69 1.57 -0.51 -3.04 116.57 116.41 2py1 h LYS 33 Ca -0.00 -0.50 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 2py1 h LYS 33 Cb 0.80 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2py1 h LYS 33 CO 0.05 1.19 -0.43 0.78 -0.57 0.00 0.00 179.45 180.47 2py1 h GLY 34 N -0.21 0.67 2.00 3.86 0.00 0.09 -2.46 103.07 107.02 2py1 h GLY 34 Ca -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2py1 h GLY 34 CO 0.14 0.62 -0.05 1.70 0.00 0.00 0.00 176.54 178.95 2py1 h LYS 35 N 0.50 0.00 -0.00 4.80 3.64 -0.64 0.25 116.57 125.12 2py1 h LYS 35 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2py1 h LYS 35 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2py1 h LYS 35 CO 0.09 0.05 -0.16 -3.47 -2.27 0.00 0.00 179.45 173.69 2py1 n ASP 36 N -3.42 0.22 -4.29 4.20 -0.08 -0.93 -4.61 116.55 107.63 2py1 n ASP 36 Ca -0.02 0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.93 2py1 n ASP 36 Cb 0.19 -0.21 -0.11 0.00 2.34 0.00 0.00 41.12 43.33 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 -2.88 4.10 -0.84 5.18 1.01 0.88 -5.00 121.20 123.65 2py1 s ILE 37 Ca 0.17 -1.16 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 2py1 s ILE 37 Cb 0.19 -3.38 -0.19 0.00 0.01 0.00 0.00 42.46 39.09 2py1 s ILE 37 CO 0.56 -0.30 2.35 0.29 0.00 0.00 0.00 174.94 177.84 2py1 n LYS 38 N 4.88 0.42 -1.51 2.79 5.02 -1.26 -4.79 118.16 123.72 2py1 n LYS 38 Ca -0.11 -0.60 -0.46 0.00 -2.02 0.00 0.00 58.31 55.11 2py1 n LYS 38 Cb 0.44 -2.97 -0.06 0.00 -0.02 0.00 0.00 35.03 32.43 2py1 n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2py1 n GLY 39 N 6.45 0.57 3.78 0.72 0.00 -1.26 -4.88 105.19 110.56 2py1 n GLY 39 Ca 0.52 0.86 -0.35 0.00 0.00 0.00 0.00 46.02 47.06 2py1 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2py1 s VAL 40 N 8.34 4.87 -0.27 1.61 0.11 -1.26 -3.91 120.40 129.88 2py1 s VAL 40 Ca 1.07 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2py1 s VAL 40 Cb -0.63 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2py1 s VAL 40 CO 0.42 0.53 -0.05 -0.94 -3.33 0.00 0.00 175.10 171.73 2py1 s SER 41 N -1.21 4.56 -0.17 3.54 1.04 -1.25 -4.67 113.70 115.54 2py1 s SER 41 Ca 0.17 -1.14 -0.17 0.00 0.48 0.00 0.00 55.95 55.29 2py1 s SER 41 Cb -0.12 -1.66 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 2py1 s SER 41 CO 0.07 -0.19 0.44 -0.70 0.98 0.00 0.00 173.24 173.84 2py1 s GLU 42 N 1.25 4.25 -0.23 4.02 2.12 -1.26 -3.90 118.70 124.95 2py1 s GLU 42 Ca -0.04 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.57 2py1 s GLU 42 Cb -0.19 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2py1 s GLU 42 CO -0.03 0.04 0.01 0.42 -0.54 0.00 0.00 175.26 175.15 2py1 s ILE 43 N 1.05 3.86 -0.20 -3.70 1.01 -1.25 -3.53 121.20 118.44 2py1 s ILE 43 Ca 0.22 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 2py1 s ILE 43 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 2py1 s ILE 43 CO 0.09 0.39 -0.02 -0.69 0.00 0.00 0.00 174.94 174.71 2py1 s VAL 44 N 1.41 3.76 -0.05 2.92 1.01 0.33 -4.09 120.40 125.69 2py1 s VAL 44 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2py1 s VAL 44 Cb -0.15 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2py1 s VAL 44 CO 0.01 0.43 -0.04 -1.10 0.00 0.00 0.00 175.10 174.40 2py1 s GLN 45 N 1.10 0.81 -0.43 2.72 -0.21 -1.26 0.51 119.66 122.90 2py1 s GLN 45 Ca 0.02 -0.07 0.05 0.00 0.02 0.00 0.00 55.36 55.38 2py1 s GLN 45 Cb -0.14 -0.90 0.18 0.00 1.00 0.00 0.00 33.01 33.15 2py1 s GLN 45 CO 0.01 -0.13 0.42 -1.71 -2.12 0.00 0.00 175.29 171.75 2py1 n ASN 46 N 4.31 -0.90 0.00 5.90 2.85 0.12 -4.77 115.26 122.76 2py1 n ASN 46 Ca -0.21 -2.49 0.00 0.00 -0.11 0.00 0.00 54.58 51.77 2py1 n ASN 46 Cb 0.51 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.34 2py1 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2py1 n GLY 47 N 2.71 1.87 0.00 8.20 0.00 -1.26 -2.78 105.19 113.94 2py1 n GLY 47 Ca 0.27 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2py1 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2py1 n LYS 48 N 0.00 2.46 -3.59 1.61 4.76 -1.26 -4.95 118.16 117.18 2py1 n LYS 48 Ca 0.00 -0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 55.04 2py1 n LYS 48 Cb 0.00 -1.08 -0.07 0.00 -1.84 0.00 0.00 35.03 32.04 2py1 n LYS 48 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2py1 s HIS 49 N -2.24 3.47 -0.06 2.13 3.76 -1.12 -3.65 115.29 117.58 2py1 s HIS 49 Ca 0.01 0.55 0.03 0.00 -0.15 0.00 0.00 55.06 55.51 2py1 s HIS 49 Cb 0.07 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2py1 s HIS 49 CO 0.43 0.29 -0.15 0.12 -0.85 0.00 0.00 174.74 174.58 2py1 s PHE 50 N 0.31 1.61 0.15 1.40 2.19 -0.18 0.12 117.98 123.57 2py1 s PHE 50 Ca 0.15 -0.54 0.04 0.00 0.33 0.00 0.00 56.93 56.92 2py1 s PHE 50 Cb -0.13 -1.12 -0.04 0.00 -1.31 0.00 0.00 43.02 40.42 2py1 s PHE 50 CO 0.03 -0.23 0.14 0.15 1.83 0.00 0.00 175.22 177.14 2py1 s LYS 51 N 0.35 2.95 0.11 10.12 1.02 0.18 -0.34 119.74 134.14 2py1 s LYS 51 Ca -0.10 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2py1 s LYS 51 Cb -0.14 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2py1 s LYS 51 CO 0.03 0.50 -0.09 0.12 -0.92 0.00 0.00 175.35 174.99 2py1 s PHE 52 N -1.69 1.07 0.02 3.18 5.36 -1.07 -0.51 117.98 124.33 2py1 s PHE 52 Ca 0.31 -0.75 0.05 0.00 -0.96 0.00 0.00 56.93 55.59 2py1 s PHE 52 Cb -0.10 -0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2py1 s PHE 52 CO 0.24 -0.01 -0.16 0.99 -1.46 0.00 0.00 175.22 174.82 2py1 s THR 53 N -2.97 1.23 -0.11 0.12 2.01 -1.23 -4.04 115.64 110.64 2py1 s THR 53 Ca 0.10 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2py1 s THR 53 Cb 0.01 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2py1 s THR 53 CO -0.01 0.18 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.31 2py1 s ILE 54 N -0.62 2.77 -0.62 1.82 1.01 -1.26 -4.55 121.20 119.75 2py1 s ILE 54 Ca 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2py1 s ILE 54 Cb -0.07 -2.13 0.23 0.00 0.01 0.00 0.00 42.46 40.49 2py1 s ILE 54 CO 0.01 0.54 0.64 0.41 0.00 0.00 0.00 174.94 176.53 2py1 n THR 55 N 3.42 1.64 -3.86 2.92 -1.04 -1.25 -3.50 114.28 112.60 2py1 n THR 55 Ca -0.18 -4.90 -0.32 0.00 -2.04 0.00 0.00 64.05 56.60 2py1 n THR 55 Cb 0.53 -2.08 -0.12 0.00 -1.82 0.00 0.00 70.33 66.83 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 -1.94 3.46 0.00 2.41 0.00 -1.26 -4.60 121.76 119.83 2py1 s ALA 56 Ca 0.35 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2py1 s ALA 56 Cb 0.10 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2py1 s ALA 56 CO -0.07 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.04 2py1 n GLY 57 N 3.16 0.98 3.25 0.00 0.00 -1.26 -4.42 105.19 106.90 2py1 n GLY 57 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -4.36 -4.56 1.61 2.88 -1.26 -4.94 113.62 102.99 2py1 n SER 58 Ca 0.00 -0.35 -0.26 0.00 -1.33 0.00 0.00 58.87 56.93 2py1 n SER 58 Cb 0.00 -3.58 -0.11 0.00 -0.75 0.00 0.00 64.21 59.77 2py1 n SER 58 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2py1 s LYS 59 N -5.91 1.84 0.09 -1.46 -2.85 -1.26 -5.13 119.74 105.06 2py1 s LYS 59 Ca 0.37 -2.03 0.04 0.00 -1.00 0.00 0.00 55.97 53.34 2py1 s LYS 59 Cb -0.19 -1.38 -0.03 0.00 -2.06 0.00 0.00 37.83 34.17 2py1 s LYS 59 CO 0.45 -0.08 -0.11 0.08 0.10 0.00 0.00 175.35 175.79 2py1 s VAL 60 N -2.90 0.93 -0.01 1.79 1.01 -1.24 -3.90 120.40 116.07 2py1 s VAL 60 Ca 0.35 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2py1 s VAL 60 Cb 0.09 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2py1 s VAL 60 CO 0.17 -0.49 -0.02 -0.63 0.00 0.00 0.00 175.10 174.13 2py1 s ILE 61 N -2.15 0.24 -0.27 2.22 1.01 -1.23 -4.93 121.20 116.09 2py1 s ILE 61 Ca 0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 2py1 s ILE 61 Cb -0.05 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 2py1 s ILE 61 CO 0.00 0.09 0.17 0.00 0.00 0.00 0.00 174.94 175.21 2py1 s GLN 62 N 0.22 3.94 -0.18 2.79 1.03 -1.26 -4.07 119.66 122.13 2py1 s GLN 62 Ca -0.02 -0.33 -0.22 0.00 0.04 0.00 0.00 55.36 54.84 2py1 s GLN 62 Cb -0.05 -3.61 0.06 0.00 0.03 0.00 0.00 33.01 29.44 2py1 s GLN 62 CO -0.01 -0.15 0.58 -0.80 -2.54 0.00 0.00 175.29 172.38 2py1 s ASN 63 N 1.65 -0.59 0.13 12.60 0.01 -1.26 -5.10 114.94 122.38 2py1 s ASN 63 Ca 0.07 1.04 0.09 0.00 -0.71 0.00 0.00 52.86 53.35 2py1 s ASN 63 Cb -0.16 1.04 -0.04 0.00 0.41 0.00 0.00 41.25 42.51 2py1 s ASN 63 CO 0.09 -0.28 -0.15 -1.83 -1.51 0.00 0.00 177.10 173.43 2py1 s GLU 64 N -0.03 1.91 0.00 -0.60 -1.05 -1.26 -2.60 118.70 115.06 2py1 s GLU 64 Ca -0.03 -1.19 0.01 0.00 -0.15 0.00 0.00 54.97 53.61 2py1 s GLU 64 Cb -0.04 -2.15 -0.00 0.00 -0.44 0.00 0.00 34.13 31.50 2py1 s GLU 64 CO 0.02 0.47 -0.03 0.12 0.95 0.00 0.00 175.26 176.80 2py1 s PHE 65 N -1.32 0.26 0.18 4.83 2.19 0.53 -4.99 117.98 119.66 2py1 s PHE 65 Ca 0.20 -0.09 0.10 0.00 0.33 0.00 0.00 56.93 57.48 2py1 s PHE 65 Cb -0.10 -0.17 -0.04 0.00 -1.31 0.00 0.00 43.02 41.40 2py1 s PHE 65 CO 0.12 -0.02 -0.16 0.99 1.83 0.00 0.00 175.22 177.98 2py1 s THR 66 N -0.18 2.82 0.13 0.12 2.01 -1.26 -1.02 115.64 118.26 2py1 s THR 66 Ca -0.00 -1.80 -0.07 0.00 0.31 0.00 0.00 61.69 60.13 2py1 s THR 66 Cb -0.02 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 2py1 s THR 66 CO -0.00 -0.09 0.40 -0.69 -0.69 0.00 0.00 174.62 173.55 2py1 s VAL 67 N -1.64 5.12 0.00 3.82 1.01 -1.24 -4.02 120.40 123.45 2py1 s VAL 67 Ca 0.23 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2py1 s VAL 67 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2py1 s VAL 67 CO 0.13 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2py1 n GLY 68 N 0.32 2.69 3.30 4.51 0.00 -1.25 -4.98 105.19 109.79 2py1 n GLY 68 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 2py1 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2py1 s GLU 69 N -0.26 1.16 0.07 1.61 0.41 -1.26 -5.07 118.70 115.36 2py1 s GLU 69 Ca 0.00 -1.20 -0.23 0.00 -0.41 0.00 0.00 54.97 53.13 2py1 s GLU 69 Cb 0.00 -1.42 -0.06 0.00 -1.78 0.00 0.00 34.13 30.86 2py1 s GLU 69 CO 0.00 0.33 0.70 -2.00 -0.49 0.00 0.00 175.26 173.80 2py1 s GLU 70 N -2.01 4.43 0.09 1.61 2.12 -1.26 -4.48 118.70 119.19 2py1 s GLU 70 Ca 0.08 0.96 0.08 0.00 0.36 0.00 0.00 54.97 56.45 2py1 s GLU 70 Cb -0.10 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2py1 s GLU 70 CO 0.05 0.43 -0.20 0.00 -0.54 0.00 0.00 175.26 175.00 2py1 s GLU 72 N -1.78 3.33 0.02 0.00 2.12 -1.26 0.13 118.70 121.26 2py1 s GLU 72 Ca 0.05 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 54.78 2py1 s GLU 72 Cb -0.10 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2py1 s GLU 72 CO 0.04 -0.26 -0.20 -0.48 -0.54 0.00 0.00 175.26 173.81 2py1 s LEU 73 N 1.50 2.11 -0.35 2.70 0.05 -0.83 -4.91 118.68 118.95 2py1 s LEU 73 Ca 0.05 -0.45 -0.29 0.00 0.05 0.00 0.00 54.13 53.49 2py1 s LEU 73 Cb -0.15 -0.98 0.00 0.00 -2.05 0.00 0.00 46.19 43.01 2py1 s LEU 73 CO -0.01 0.19 1.43 -1.61 -0.55 0.00 0.00 176.35 175.80 2py1 s GLU 74 N -0.88 3.69 0.06 1.48 8.01 -1.26 -3.21 118.70 126.59 2py1 s GLU 74 Ca 0.07 1.15 -0.13 0.00 0.01 0.00 0.00 54.97 56.07 2py1 s GLU 74 Cb -0.08 -3.99 -0.04 0.00 -4.31 0.00 0.00 34.13 25.71 2py1 s GLU 74 CO 0.01 -1.41 1.23 1.15 0.01 0.00 0.00 175.26 176.24 2py1 h THR 75 N 6.29 0.00 0.00 3.63 2.02 -1.33 -3.46 112.91 120.06 2py1 h THR 75 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2py1 h THR 75 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2py1 h THR 75 CO 1.06 0.00 0.00 0.80 0.37 0.00 0.00 175.52 177.75 2py1 n MET 76 N -3.92 0.00 -0.11 6.66 1.56 -1.26 -4.94 117.12 115.11 2py1 n MET 76 Ca 0.00 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.49 2py1 n MET 76 Cb 0.12 0.00 0.19 0.00 2.15 0.00 0.00 33.22 35.68 2py1 n MET 76 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2py1 n THR 77 N 0.00 0.29 0.00 1.12 -1.04 -1.26 -4.86 114.28 108.53 2py1 n THR 77 Ca 0.00 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2py1 n THR 77 Cb 0.00 0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.93 2.44 3.59 3.41 0.00 -1.26 -5.05 105.19 109.25 2py1 n GLY 78 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 2py1 n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2py1 n GLU 79 N -0.12 1.28 -3.95 1.61 1.02 -1.26 -4.74 120.64 114.47 2py1 n GLU 79 Ca 0.00 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.25 2py1 n GLU 79 Cb 0.00 -2.02 -0.14 0.00 -0.02 0.00 0.00 31.44 29.26 2py1 n GLU 79 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2py1 s LYS 80 N -0.08 2.63 0.13 3.49 -2.85 -1.26 -0.94 119.74 120.85 2py1 s LYS 80 Ca 0.76 -1.12 0.11 0.00 -1.00 0.00 0.00 55.97 54.72 2py1 s LYS 80 Cb -0.86 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 31.83 2py1 s LYS 80 CO 0.50 -0.50 -0.26 0.14 0.10 0.00 0.00 175.35 175.33 2py1 s VAL 81 N 1.28 2.20 -0.40 1.79 -7.23 -1.20 -4.95 120.40 111.88 2py1 s VAL 81 Ca -0.03 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 2py1 s VAL 81 Cb -0.18 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2py1 s VAL 81 CO -0.03 0.05 0.39 -1.59 -0.31 0.00 0.00 175.10 173.61 2py1 s LYS 82 N -2.10 3.14 0.12 4.82 0.00 -1.26 -1.97 119.74 122.49 2py1 s LYS 82 Ca 0.14 -0.77 0.04 0.00 0.00 0.00 0.00 55.97 55.38 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 0.06 -0.77 0.10 0.95 0.00 0.00 0.00 175.35 175.69 2py1 s THR 83 N 2.00 4.48 -0.07 3.79 -4.23 0.12 -4.83 115.64 116.91 2py1 s THR 83 Ca 0.10 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2py1 s THR 83 Cb -0.17 -3.22 -0.01 0.00 1.34 0.00 0.00 72.50 70.44 2py1 s THR 83 CO 0.12 0.02 -0.23 0.54 -0.54 0.00 0.00 174.62 174.53 2py1 s VAL 84 N -1.55 1.95 -0.21 2.29 0.11 -1.25 -1.35 120.40 120.39 2py1 s VAL 84 Ca 0.30 -0.99 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 2py1 s VAL 84 Cb -0.11 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 2py1 s VAL 84 CO 0.22 0.54 0.06 0.54 -3.33 0.00 0.00 175.10 173.14 2py1 s VAL 85 N 0.05 4.56 0.28 2.04 0.11 -1.26 -3.01 120.40 123.17 2py1 s VAL 85 Ca -0.09 -0.10 0.12 0.00 -2.93 0.00 0.00 61.98 58.97 2py1 s VAL 85 Cb -0.15 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 2py1 s VAL 85 CO 0.05 0.40 -0.17 -1.10 -3.33 0.00 0.00 175.10 170.95 2py1 s GLN 86 N 0.94 1.77 -0.01 1.54 -0.21 0.56 -3.74 119.66 120.51 2py1 s GLN 86 Ca 0.04 -1.73 0.05 0.00 0.02 0.00 0.00 55.36 53.74 2py1 s GLN 86 Cb -0.14 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 2py1 s GLN 86 CO 0.03 0.33 -0.14 -0.48 -2.12 0.00 0.00 175.29 172.90 2py1 s LEU 87 N -3.54 2.76 0.08 2.90 0.05 -1.26 0.18 118.68 119.85 2py1 s LEU 87 Ca 0.30 -0.27 -0.06 0.00 0.05 0.00 0.00 54.13 54.16 2py1 s LEU 87 Cb -0.05 -1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 42.48 2py1 s LEU 87 CO 0.16 0.30 0.11 -1.61 -0.55 0.00 0.00 176.35 174.76 2py1 s GLU 88 N -1.11 0.78 6.47 1.48 2.02 0.17 -4.88 118.70 123.63 2py1 s GLU 88 Ca 0.14 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2py1 s GLU 88 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2py1 s GLU 88 CO 0.03 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2py1 n GLY 89 N -0.01 2.63 0.00 -1.39 0.00 -1.26 -0.98 105.19 104.18 2py1 n GLY 89 Ca -0.14 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.56 2py1 n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2py1 n ASP 90 N 3.40 2.22 -2.71 1.61 -0.08 -1.26 -4.81 116.55 114.92 2py1 n ASP 90 Ca 0.00 -0.14 -0.06 0.00 -1.51 0.00 0.00 54.79 53.08 2py1 n ASP 90 Cb 0.00 1.39 0.08 0.00 2.34 0.00 0.00 41.12 44.93 2py1 n ASP 90 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2py1 n ASN 91 N -1.75 -2.06 -3.88 1.67 0.23 -1.22 -4.98 115.26 103.26 2py1 n ASN 91 Ca -0.01 -2.72 -0.14 0.00 -0.53 0.00 0.00 54.58 51.17 2py1 n ASN 91 Cb 0.25 1.43 -0.15 0.00 -2.08 0.00 0.00 39.78 39.23 2py1 n ASN 91 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2py1 s LYS 92 N 0.34 0.18 -0.15 -3.83 1.02 -0.15 -1.94 119.74 115.21 2py1 s LYS 92 Ca 0.26 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 2py1 s LYS 92 Cb 0.25 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2py1 s LYS 92 CO -0.15 -0.00 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.66 2py1 s LEU 93 N 0.22 2.84 -0.20 3.17 2.01 -0.77 0.42 118.68 126.36 2py1 s LEU 93 Ca -0.02 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.84 2py1 s LEU 93 Cb -0.04 -1.66 0.03 0.00 0.01 0.00 0.00 46.19 44.53 2py1 s LEU 93 CO -0.01 0.14 -0.17 -0.69 1.01 0.00 0.00 176.35 176.64 2py1 s VAL 94 N 0.49 2.11 0.04 -1.59 1.01 0.48 -0.08 120.40 122.86 2py1 s VAL 94 Ca -0.08 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.79 2py1 s VAL 94 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2py1 s VAL 94 CO 0.04 0.37 -0.10 0.28 0.00 0.00 0.00 175.10 175.69 2py1 s THR 95 N 1.24 0.71 0.29 3.92 -1.32 -1.25 0.21 115.64 119.45 2py1 s THR 95 Ca 0.01 -0.94 0.11 0.00 -1.21 0.00 0.00 61.69 59.66 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 -0.19 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.05 2py1 s THR 96 N -1.03 2.41 0.18 5.08 2.01 -1.16 -2.05 115.64 121.07 2py1 s THR 96 Ca -0.04 -2.36 0.02 0.00 0.31 0.00 0.00 61.69 59.62 2py1 s THR 96 Cb -0.08 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 2py1 s THR 96 CO 0.01 -0.36 0.00 -0.36 -0.69 0.00 0.00 174.62 173.22 2py1 s PHE 97 N -2.54 1.23 -0.36 4.92 0.40 0.27 -3.92 117.98 117.98 2py1 s PHE 97 Ca 0.30 -1.01 -0.40 0.00 -0.60 0.00 0.00 56.93 55.22 2py1 s PHE 97 Cb -0.03 -0.70 -0.16 0.00 0.51 0.00 0.00 43.02 42.64 2py1 s PHE 97 CO 0.15 -0.20 1.93 1.17 0.70 0.00 0.00 175.22 178.97 2py1 n LYS 98 N -0.25 0.80 -1.75 0.44 0.00 -1.26 0.16 118.16 116.30 2py1 n LYS 98 Ca -0.06 0.27 -0.06 0.00 0.00 0.00 0.00 58.31 58.46 2py1 n LYS 98 Cb 0.63 -2.03 -0.01 0.00 0.00 0.00 0.00 35.03 33.62 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 6.86 -1.85 -4.03 3.14 5.15 -1.26 -4.86 115.26 118.42 2py1 n ASN 99 Ca 0.36 0.24 -0.22 0.00 -0.60 0.00 0.00 54.58 54.36 2py1 n ASN 99 Cb 0.11 -1.84 -0.16 0.00 -0.53 0.00 0.00 39.78 37.36 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 -1.83 0.94 -0.26 -1.44 1.01 0.41 -4.93 121.20 115.11 2py1 s ILE 100 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2py1 s ILE 100 Cb 0.00 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2py1 s ILE 100 CO 0.00 0.29 0.11 -0.75 0.00 0.00 0.00 174.94 174.58 2py1 s LYS 101 N 0.21 3.74 0.09 2.79 2.20 -1.26 0.96 119.74 128.47 2py1 s LYS 101 Ca -0.04 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 2py1 s LYS 101 Cb -0.10 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2py1 s LYS 101 CO 0.01 -0.19 -0.08 -1.12 -0.36 0.00 0.00 175.35 173.61 2py1 s SER 102 N 1.66 4.51 -0.11 1.43 0.01 -0.87 -4.33 113.70 116.00 2py1 s SER 102 Ca 0.07 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.95 2py1 s SER 102 Cb -0.15 -0.92 0.06 0.00 0.21 0.00 0.00 66.02 65.22 2py1 s SER 102 CO 0.06 0.19 0.22 -0.69 0.41 0.00 0.00 173.24 173.43 2py1 s VAL 103 N -1.21 -0.33 -0.04 3.43 1.01 -1.25 -3.76 120.40 118.25 2py1 s VAL 103 Ca 0.22 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.54 2py1 s VAL 103 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2py1 s VAL 103 CO 0.14 0.12 -0.18 -0.89 0.00 0.00 0.00 175.10 174.29 2py1 s THR 104 N 2.27 2.70 -0.04 3.92 2.01 0.89 -2.93 115.64 124.47 2py1 s THR 104 Ca 0.01 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2py1 s THR 104 Cb -0.12 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.39 2py1 s THR 104 CO -0.07 0.58 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.82 2py1 s GLU 105 N -0.64 0.45 -0.28 4.92 8.01 -1.25 -1.84 118.70 128.09 2py1 s GLU 105 Ca 0.10 0.04 -0.10 0.00 0.01 0.00 0.00 54.97 55.02 2py1 s GLU 105 Cb -0.11 -0.61 -0.04 0.00 -4.31 0.00 0.00 34.13 29.06 2py1 s GLU 105 CO 0.00 -0.14 0.15 -0.51 0.01 0.00 0.00 175.26 174.78 2py1 s LEU 106 N 1.08 3.86 -0.10 1.80 1.43 -0.82 -4.15 118.68 121.78 2py1 s LEU 106 Ca -0.09 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2py1 s LEU 106 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2py1 s LEU 106 CO -0.01 -0.07 -0.01 0.21 0.23 0.00 0.00 176.35 176.70 2py1 s ASN 107 N 1.70 1.88 -0.54 2.29 2.47 -1.08 -4.72 114.94 116.93 2py1 s ASN 107 Ca 0.07 -0.22 -0.26 0.00 0.42 0.00 0.00 52.86 52.86 2py1 s ASN 107 Cb -0.16 -0.54 -0.24 0.00 -1.45 0.00 0.00 41.25 38.87 2py1 s ASN 107 CO 0.08 -0.20 1.81 0.61 -3.72 0.00 0.00 177.10 175.69 2py1 n GLY 108 N 5.10 1.51 0.00 1.21 0.00 -1.26 -1.43 105.19 110.31 2py1 n GLY 108 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 9.33 0.00 -4.09 1.61 9.92 -1.26 -5.12 116.55 126.94 2py1 n ASP 109 Ca 0.48 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.55 2py1 n ASP 109 Cb 0.42 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.76 2py1 n ASP 109 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2py1 s ILE 110 N 0.00 0.90 -0.11 0.53 -1.09 -0.52 -4.45 121.20 116.48 2py1 s ILE 110 Ca 0.00 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 2py1 s ILE 110 Cb 0.00 -0.80 0.04 0.00 -1.58 0.00 0.00 42.46 40.12 2py1 s ILE 110 CO 0.00 0.08 0.04 -0.51 -1.23 0.00 0.00 174.94 173.31 2py1 s ILE 111 N -0.60 0.22 -0.03 2.92 2.07 -0.98 -2.64 121.20 122.16 2py1 s ILE 111 Ca 0.02 -0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.33 2py1 s ILE 111 Cb -0.06 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2py1 s ILE 111 CO 0.00 0.05 -0.25 0.28 -1.91 0.00 0.00 174.94 173.12 2py1 s THR 112 N 2.02 1.97 -0.06 4.00 -1.32 -1.26 -1.84 115.64 119.16 2py1 s THR 112 Ca 0.03 -1.05 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 2py1 s THR 112 Cb -0.14 -1.65 0.01 0.00 -1.51 0.00 0.00 72.50 69.21 2py1 s THR 112 CO -0.06 0.56 -0.12 0.21 -2.21 0.00 0.00 174.62 173.00 2py1 s ASN 113 N -0.42 1.68 -0.12 8.08 3.84 -1.05 -3.74 114.94 123.21 2py1 s ASN 113 Ca 0.05 -0.28 -0.08 0.00 0.21 0.00 0.00 52.86 52.76 2py1 s ASN 113 Cb -0.11 -0.71 -0.04 0.00 -0.55 0.00 0.00 41.25 39.84 2py1 s ASN 113 CO 0.01 0.04 0.17 0.42 -2.79 0.00 0.00 177.10 174.95 2py1 s THR 114 N 0.56 5.45 -0.03 -5.21 -4.23 -1.15 -1.94 115.64 109.08 2py1 s THR 114 Ca -0.12 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 2py1 s THR 114 Cb -0.14 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.28 2py1 s THR 114 CO 0.03 0.59 0.05 -0.04 -0.54 0.00 0.00 174.62 174.72 2py1 s MET 115 N -0.87 -0.06 -0.09 3.99 -1.94 -0.34 -4.16 119.30 115.82 2py1 s MET 115 Ca 0.15 0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.46 2py1 s MET 115 Cb -0.12 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.33 2py1 s MET 115 CO 0.04 -0.27 -0.13 -0.08 -0.01 0.00 0.00 175.02 174.57 2py1 s THR 116 N 1.75 1.32 -0.10 2.05 -1.32 -1.26 0.35 115.64 118.43 2py1 s THR 116 Ca -0.01 -0.54 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 2py1 s THR 116 Cb -0.12 -1.22 0.05 0.00 -1.51 0.00 0.00 72.50 69.70 2py1 s THR 116 CO -0.03 0.40 0.19 -0.22 -2.21 0.00 0.00 174.62 172.75 2py1 s LEU 117 N 0.97 0.02 0.00 9.08 0.20 -1.05 -4.61 118.68 123.29 2py1 s LEU 117 Ca -0.08 0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.16 2py1 s LEU 117 Cb -0.15 0.44 0.00 0.00 -0.43 0.00 0.00 46.19 46.05 2py1 s LEU 117 CO -0.01 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.44 2py1 n GLY 118 N 5.08 1.78 0.00 7.98 0.00 -1.26 -3.33 105.19 115.44 2py1 n GLY 118 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.83 0.00 -4.65 1.61 -0.08 -1.26 -5.11 116.55 108.89 2py1 n ASP 119 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2py1 n ASP 119 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2py1 n ASP 119 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2py1 s ILE 120 N 0.00 4.86 -0.17 5.18 1.01 -1.21 -5.03 121.20 125.84 2py1 s ILE 120 Ca 0.00 1.54 -0.05 0.00 0.00 0.00 0.00 60.65 62.14 2py1 s ILE 120 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2py1 s ILE 120 CO 0.00 -0.04 -0.00 0.54 0.00 0.00 0.00 174.94 175.43 2py1 s VAL 121 N 2.66 4.20 0.13 2.92 0.11 -1.26 -2.52 120.40 126.64 2py1 s VAL 121 Ca 0.35 -0.25 0.11 0.00 -2.93 0.00 0.00 61.98 59.26 2py1 s VAL 121 Cb -0.16 -2.86 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 2py1 s VAL 121 CO 0.08 0.48 -0.26 0.72 -3.33 0.00 0.00 175.10 172.79 2py1 s PHE 122 N 0.38 2.23 0.16 1.54 -0.12 0.15 -4.95 117.98 117.37 2py1 s PHE 122 Ca -0.02 -0.39 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 2py1 s PHE 122 Cb -0.14 -1.21 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 2py1 s PHE 122 CO 0.02 0.32 -0.02 0.15 -0.05 0.00 0.00 175.22 175.64 2py1 s LYS 123 N -2.04 2.35 -0.08 1.99 1.02 -1.26 -1.20 119.74 120.52 2py1 s LYS 123 Ca 0.13 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.02 2py1 s LYS 123 Cb -0.10 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2py1 s LYS 123 CO 0.06 0.46 -0.07 0.50 -0.92 0.00 0.00 175.35 175.38 2py1 s ARG 124 N -2.81 1.30 -0.10 1.68 3.52 -0.82 -4.04 118.95 117.68 2py1 s ARG 124 Ca 0.26 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.57 2py1 s ARG 124 Cb -0.10 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 2py1 s ARG 124 CO 0.18 -0.15 0.17 0.42 -0.81 0.00 0.00 175.30 175.11 2py1 s ILE 125 N 1.29 5.46 0.08 4.11 1.01 -1.24 -2.51 121.20 129.39 2py1 s ILE 125 Ca -0.04 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 2py1 s ILE 125 Cb -0.14 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2py1 s ILE 125 CO -0.03 0.59 0.31 -0.44 0.00 0.00 0.00 174.94 175.37 2py1 s SER 126 N -1.10 -0.10 0.09 3.58 0.01 -0.77 -2.78 113.70 112.63 2py1 s SER 126 Ca 0.17 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2py1 s SER 126 Cb -0.13 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2py1 s SER 126 CO 0.06 -0.72 -0.07 -0.75 0.41 0.00 0.00 173.24 172.17 2py1 s LYS 127 N -3.30 0.78 0.11 12.44 2.36 -1.26 -2.31 119.74 128.56 2py1 s LYS 127 Ca 0.00 -1.20 -0.30 0.00 -2.55 0.00 0.00 55.97 51.92 2py1 s LYS 127 Cb 0.02 -0.27 -0.07 0.00 -1.05 0.00 0.00 37.83 36.46 2py1 s LYS 127 CO -0.08 0.01 1.21 0.50 1.55 0.00 0.00 175.35 178.54 2py1 s ARG 128 N -3.26 4.45 0.00 4.03 3.00 -1.26 -3.92 118.95 121.98 2py1 s ARG 128 Ca 0.07 1.84 0.00 0.00 -1.00 0.00 0.00 55.73 56.63 2py1 s ARG 128 Cb 0.01 -3.30 0.00 0.00 0.00 0.00 0.00 34.95 31.67 2py1 s ARG 128 CO -0.03 -0.20 0.31 0.44 0.00 0.00 0.00 175.30 175.81