#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pw9 n LEU 8 N 0.00 0.41 -3.87 2.45 4.77 -1.26 -4.85 117.00 114.65 2pw9 n LEU 8 Ca 0.00 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2pw9 n LEU 8 Cb 0.00 0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2pw9 n LEU 8 CO 0.00 0.09 0.16 -0.94 -1.33 0.00 0.00 177.39 175.37 2pw9 s SER 9 N -5.21 -0.12 -0.02 -1.43 1.04 -1.26 -0.52 113.70 106.18 2pw9 s SER 9 Ca -0.05 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 2pw9 s SER 9 Cb 0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2pw9 s SER 9 CO 0.84 -1.02 0.14 0.27 0.98 0.00 0.00 173.24 174.45 2pw9 s ILE 10 N -3.94 0.05 0.15 -1.02 -4.36 -0.33 -4.89 121.20 106.87 2pw9 s ILE 10 Ca 0.15 -0.42 -0.30 0.00 -0.26 0.00 0.00 60.65 59.81 2pw9 s ILE 10 Cb 0.00 -0.34 -0.07 0.00 1.25 0.00 0.00 42.46 43.30 2pw9 s ILE 10 CO 0.01 -0.23 1.07 -0.04 0.24 0.00 0.00 174.94 175.99 2pw9 s MET 11 N -0.80 4.61 0.04 0.37 -1.94 -1.26 -0.70 119.30 119.62 2pw9 s MET 11 Ca -0.09 1.65 0.03 0.00 -1.71 0.00 0.00 55.69 55.58 2pw9 s MET 11 Cb -0.05 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 2pw9 s MET 11 CO 0.01 0.09 -0.10 -0.65 -0.01 0.00 0.00 175.02 174.36 2pw9 s GLN 12 N -0.19 0.64 0.21 2.03 -1.52 0.89 -4.93 119.66 116.80 2pw9 s GLN 12 Ca 0.49 -0.74 -0.22 0.00 -1.95 0.00 0.00 55.36 52.94 2pw9 s GLN 12 Cb -0.28 -0.52 -0.08 0.00 -0.22 0.00 0.00 33.01 31.91 2pw9 s GLN 12 CO 0.33 0.11 0.76 0.15 -0.25 0.00 0.00 175.29 176.40 2pw9 s LYS 13 N -1.39 4.39 0.08 2.91 1.02 -1.26 -0.32 119.74 125.17 2pw9 s LYS 13 Ca -0.05 1.01 0.02 0.00 0.02 0.00 0.00 55.97 56.96 2pw9 s LYS 13 Cb -0.09 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 2pw9 s LYS 13 CO 0.01 0.45 -0.06 0.45 -0.92 0.00 0.00 175.35 175.27 2pw9 s SER 14 N -1.47 1.04 -0.23 2.83 0.15 0.44 -4.93 113.70 111.53 2pw9 s SER 14 Ca 0.41 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 56.15 2pw9 s SER 14 Cb -0.19 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2pw9 s SER 14 CO 0.23 -0.43 -0.13 -0.69 1.20 0.00 0.00 173.24 173.42 2pw9 s VAL 15 N -3.24 2.27 -0.35 4.45 1.01 -1.26 -0.49 120.40 122.79 2pw9 s VAL 15 Ca 0.07 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 2pw9 s VAL 15 Cb 0.03 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2pw9 s VAL 15 CO -0.04 0.21 0.81 -0.69 0.00 0.00 0.00 175.10 175.39 2pw9 s VAL 16 N 1.21 4.72 -0.21 2.92 1.01 0.72 -4.88 120.40 125.89 2pw9 s VAL 16 Ca -0.02 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 2pw9 s VAL 16 Cb -0.17 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2pw9 s VAL 16 CO -0.08 -0.40 0.09 -0.63 0.00 0.00 0.00 175.10 174.09 2pw9 s ILE 17 N 3.13 4.92 0.40 2.22 1.01 -1.26 -1.94 121.20 129.68 2pw9 s ILE 17 Ca 0.33 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2pw9 s ILE 17 Cb -0.13 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2pw9 s ILE 17 CO 0.16 0.41 0.09 -0.13 0.00 0.00 0.00 174.94 175.47 2pw9 s ARG 18 N 0.73 1.90 0.15 2.79 0.52 -0.03 -5.03 118.95 119.99 2pw9 s ARG 18 Ca 0.05 -2.14 -0.15 0.00 -0.52 0.00 0.00 55.73 52.97 2pw9 s ARG 18 Cb -0.13 -0.80 0.03 0.00 0.52 0.00 0.00 34.95 34.56 2pw9 s ARG 18 CO 0.02 -0.39 1.75 -1.35 0.02 0.00 0.00 175.30 175.35 2pw9 h PRO 19 N 1.81 0.65 -0.92 3.54 0.11 -2.04 -2.74 132.00 132.42 2pw9 h PRO 19 Ca -0.38 -0.08 0.18 0.00 0.11 0.00 0.00 66.00 65.82 2pw9 h PRO 19 Cb 1.27 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 2pw9 h PRO 19 CO 0.62 0.53 0.59 0.78 -0.21 0.00 0.00 178.00 180.32 2pw9 h GLY 20 N 0.60 1.17 0.00 -0.55 0.00 -2.02 -3.48 103.07 98.80 2pw9 h GLY 20 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2pw9 h GLY 20 CO -0.02 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pw9 n GLY 21 N -1.45 -0.59 3.42 4.60 0.00 -1.03 -5.16 105.19 104.97 2pw9 n GLY 21 Ca 0.19 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 2pw9 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pw9 s ARG 22 N -2.00 1.52 -0.29 1.61 0.52 -1.26 -0.85 118.95 118.20 2pw9 s ARG 22 Ca 0.00 -1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 53.43 2pw9 s ARG 22 Cb 0.00 -1.60 0.10 0.00 0.52 0.00 0.00 34.95 33.97 2pw9 s ARG 22 CO 0.00 0.31 0.74 -1.14 0.02 0.00 0.00 175.30 175.23 2pw9 s GLN 23 N -3.25 0.61 0.12 3.54 0.74 -0.82 -4.97 119.66 115.63 2pw9 s GLN 23 Ca 0.25 1.16 -0.30 0.00 0.05 0.00 0.00 55.36 56.52 2pw9 s GLN 23 Cb -0.05 0.29 -0.06 0.00 1.10 0.00 0.00 33.01 34.29 2pw9 s GLN 23 CO 0.11 -0.15 1.02 -1.21 -0.55 0.00 0.00 175.29 174.52 2pw9 s GLU 24 N 1.88 4.64 -0.06 1.67 0.41 -1.26 -0.20 118.70 125.78 2pw9 s GLU 24 Ca -0.09 1.56 -0.04 0.00 -0.41 0.00 0.00 54.97 55.99 2pw9 s GLU 24 Cb -0.06 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 2pw9 s GLU 24 CO -0.19 0.12 0.14 1.41 -0.49 0.00 0.00 175.26 176.25 2pw9 s MET 25 N 0.00 0.13 0.09 1.61 -2.45 0.36 -4.93 119.30 114.11 2pw9 s MET 25 Ca 0.49 0.27 -0.28 0.00 -1.25 0.00 0.00 55.69 54.92 2pw9 s MET 25 Cb -0.26 -0.04 -0.06 0.00 1.25 0.00 0.00 34.83 35.72 2pw9 s MET 25 CO 0.31 -0.09 0.88 -0.51 1.05 0.00 0.00 175.02 176.67 2pw9 s ASP 26 N 0.58 7.39 0.09 1.11 1.01 -1.26 -0.42 116.67 125.18 2pw9 s ASP 26 Ca -0.04 1.66 0.07 0.00 0.71 0.00 0.00 52.55 54.95 2pw9 s ASP 26 Cb -0.06 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2pw9 s ASP 26 CO -0.03 -0.02 -0.19 -1.61 0.21 0.00 0.00 175.17 173.53 2pw9 s GLU 27 N -0.08 1.05 -0.13 8.23 0.41 0.57 -4.93 118.70 123.82 2pw9 s GLU 27 Ca 0.43 -1.09 -0.22 0.00 -0.41 0.00 0.00 54.97 53.69 2pw9 s GLU 27 Cb -0.22 -1.24 -0.03 0.00 -1.78 0.00 0.00 34.13 30.85 2pw9 s GLU 27 CO 0.27 0.29 0.64 -1.01 -0.49 0.00 0.00 175.26 174.96 2pw9 s HIS 28 N -1.17 3.49 -0.15 1.61 3.76 -1.26 -0.08 115.29 121.49 2pw9 s HIS 28 Ca 0.04 1.07 0.01 0.00 -0.15 0.00 0.00 55.06 56.03 2pw9 s HIS 28 Cb -0.10 -2.76 0.02 0.00 1.11 0.00 0.00 32.58 30.85 2pw9 s HIS 28 CO 0.04 0.00 -0.15 0.08 -0.85 0.00 0.00 174.74 173.85 2pw9 s VAL 29 N 1.20 1.66 0.47 -0.90 1.01 0.12 -4.21 120.40 119.76 2pw9 s VAL 29 Ca 0.32 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2pw9 s VAL 29 Cb -0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 2pw9 s VAL 29 CO 0.14 0.47 1.20 0.00 0.00 0.00 0.00 175.10 176.91 2pw9 s ALA 30 N 1.40 2.97 -0.06 5.51 0.00 -1.26 -1.19 121.76 129.13 2pw9 s ALA 30 Ca 0.04 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 2pw9 s ALA 30 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2pw9 s ALA 30 CO -0.10 -0.76 0.76 0.42 0.00 0.00 0.00 175.76 176.08 2pw9 s ILE 31 N -1.49 5.01 -0.16 0.00 1.01 0.32 -4.89 121.20 121.00 2pw9 s ILE 31 Ca 0.64 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.87 2pw9 s ILE 31 Cb -0.31 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 2pw9 s ILE 31 CO 0.37 0.23 -0.15 -0.70 0.00 0.00 0.00 174.94 174.69 2pw9 s GLU 32 N 0.88 3.22 -0.05 2.79 2.12 -1.26 -4.24 118.70 122.16 2pw9 s GLU 32 Ca 0.41 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.93 2pw9 s GLU 32 Cb -0.18 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.58 2pw9 s GLU 32 CO 0.20 0.00 0.16 -0.08 -0.54 0.00 0.00 175.26 175.01 2pw9 s THR 33 N 0.85 0.02 0.08 -1.70 -1.32 -0.28 -4.88 115.64 108.42 2pw9 s THR 33 Ca -0.04 -0.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 2pw9 s THR 33 Cb -0.15 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.48 2pw9 s THR 33 CO -0.01 -0.11 1.02 -2.16 -2.21 0.00 0.00 174.62 171.15 2pw9 s PRO 34 N -0.34 4.60 -0.06 7.08 0.04 -1.26 -0.46 135.00 144.61 2pw9 s PRO 34 Ca -0.04 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.55 2pw9 s PRO 34 Cb -0.03 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2pw9 s PRO 34 CO 0.01 0.05 -0.15 0.71 0.04 0.00 0.00 177.00 177.65 2pw9 s TYR 35 N 0.41 1.68 0.27 0.56 2.02 0.45 -4.75 117.35 118.00 2pw9 s TYR 35 Ca 0.50 -0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 2pw9 s TYR 35 Cb -0.24 -1.17 -0.08 0.00 -0.40 0.00 0.00 41.96 40.06 2pw9 s TYR 35 CO 0.30 -0.25 0.71 0.00 -1.57 0.00 0.00 175.55 174.74 2pw9 s ALA 36 N 0.38 3.38 -0.13 3.71 0.00 -0.72 -0.83 121.76 127.55 2pw9 s ALA 36 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2pw9 s ALA 36 Cb -0.14 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2pw9 s ALA 36 CO 0.04 0.35 -0.20 0.42 0.00 0.00 0.00 175.76 176.36 2pw9 s ILE 37 N -1.78 1.94 0.08 0.00 1.09 0.73 -0.57 121.20 122.69 2pw9 s ILE 37 Ca 0.49 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 59.20 2pw9 s ILE 37 Cb -0.13 -1.72 -0.04 0.00 -1.06 0.00 0.00 42.46 39.51 2pw9 s ILE 37 CO 0.19 0.53 -0.13 0.00 -0.10 0.00 0.00 174.94 175.43 2pw9 s ALA 38 N 0.86 2.84 -0.15 9.38 0.00 -0.21 -0.82 121.76 133.66 2pw9 s ALA 38 Ca -0.07 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.67 2pw9 s ALA 38 Cb -0.15 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.14 2pw9 s ALA 38 CO -0.02 0.62 -0.17 -1.17 0.00 0.00 0.00 175.76 175.01 2pw9 s LEU 39 N -1.95 1.89 -1.23 0.00 2.96 0.03 -0.92 118.68 119.46 2pw9 s LEU 39 Ca 0.19 -0.54 -0.23 0.00 -0.22 0.00 0.00 54.13 53.32 2pw9 s LEU 39 Cb -0.11 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.31 2pw9 s LEU 39 CO 0.11 -0.00 0.64 0.59 -1.32 0.00 0.00 176.35 176.37 2pw9 n ASN 40 N 4.50 -3.77 0.00 3.68 3.02 0.42 -1.97 115.26 121.14 2pw9 n ASN 40 Ca -0.19 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 2pw9 n ASN 40 Cb 0.50 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.23 2pw9 n ASN 40 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pw9 n ASP 41 N -2.49 -3.85 -4.60 6.41 8.00 -1.26 -4.99 116.55 113.76 2pw9 n ASP 41 Ca -0.14 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 2pw9 n ASP 41 Cb 0.60 -2.83 -0.10 0.00 -0.02 0.00 0.00 41.12 38.76 2pw9 n ASP 41 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pw9 s ARG 42 N -1.49 3.73 0.08 -1.24 0.52 -0.83 -5.07 118.95 114.64 2pw9 s ARG 42 Ca 0.00 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 2pw9 s ARG 42 Cb 0.00 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 2pw9 s ARG 42 CO 0.00 0.34 1.14 0.08 0.02 0.00 0.00 175.30 176.88 2pw9 s VAL 43 N 0.15 4.12 -0.17 3.52 1.01 -1.26 -0.79 120.40 126.99 2pw9 s VAL 43 Ca 0.02 1.60 0.13 0.00 0.00 0.00 0.00 61.98 63.73 2pw9 s VAL 43 Cb -0.13 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 2pw9 s VAL 43 CO 0.01 0.16 0.02 -0.38 0.00 0.00 0.00 175.10 174.92 2pw9 n ILE 44 N 3.52 1.14 -0.25 2.22 2.08 0.00 -4.93 119.36 123.14 2pw9 n ILE 44 Ca 0.07 -0.67 0.00 0.00 0.56 0.00 0.00 62.75 62.71 2pw9 n ILE 44 Cb 0.47 -0.66 0.00 0.00 -0.75 0.00 0.00 39.64 38.70 2pw9 n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2pw9 n GLY 45 N 2.06 -1.48 3.24 7.39 0.00 -1.19 -5.02 105.19 110.18 2pw9 n GLY 45 Ca -0.28 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 2pw9 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pw9 s SER 46 N -0.31 -0.16 0.09 1.61 0.15 -1.26 -0.19 113.70 113.62 2pw9 s SER 46 Ca 0.00 0.00 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 2pw9 s SER 46 Cb 0.00 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 2pw9 s SER 46 CO 0.00 -0.49 0.27 -0.55 1.20 0.00 0.00 173.24 173.67 2pw9 s SER 47 N -1.53 -0.03 -0.21 5.45 0.15 -0.01 -4.99 113.70 112.53 2pw9 s SER 47 Ca -0.11 -0.47 -0.15 0.00 0.70 0.00 0.00 55.95 55.92 2pw9 s SER 47 Cb -0.04 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2pw9 s SER 47 CO 0.02 -0.74 0.38 -0.04 1.20 0.00 0.00 173.24 174.05 2pw9 s MET 48 N -3.60 4.14 0.14 5.44 -1.94 -1.26 -0.41 119.30 121.81 2pw9 s MET 48 Ca 0.02 0.14 0.05 0.00 -1.71 0.00 0.00 55.69 54.20 2pw9 s MET 48 Cb 0.03 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 2pw9 s MET 48 CO -0.10 -0.06 -0.12 0.14 -0.01 0.00 0.00 175.02 174.87 2pw9 s VAL 49 N 1.39 1.26 -0.31 -6.03 -7.23 0.40 -4.67 120.40 105.22 2pw9 s VAL 49 Ca 0.18 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.19 2pw9 s VAL 49 Cb -0.15 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2pw9 s VAL 49 CO 0.08 -0.59 0.94 -0.22 -0.31 0.00 0.00 175.10 175.00 2pw9 s LEU 50 N -2.83 4.02 -1.24 1.32 2.96 -1.26 -1.13 118.68 120.53 2pw9 s LEU 50 Ca 0.13 0.88 -0.16 0.00 -0.22 0.00 0.00 54.13 54.77 2pw9 s LEU 50 Cb -0.01 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 2pw9 s LEU 50 CO 0.02 -0.74 2.20 -0.81 -1.32 0.00 0.00 176.35 175.70 2pw9 n PRO 51 N 6.52 2.48 -3.85 0.98 -0.04 -1.26 -4.80 135.00 135.02 2pw9 n PRO 51 Ca 0.08 -2.27 -0.11 0.00 -0.04 0.00 0.00 63.50 61.15 2pw9 n PRO 51 Cb 0.47 -3.09 -0.09 0.00 -0.04 0.00 0.00 33.50 30.75 2pw9 n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pw9 s VAL 52 N 3.66 0.08 -1.29 0.52 0.11 -1.26 -4.92 120.40 117.31 2pw9 s VAL 52 Ca 0.52 -0.70 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2pw9 s VAL 52 Cb 0.14 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 2pw9 s VAL 52 CO -0.02 -0.39 0.73 0.47 -3.33 0.00 0.00 175.10 172.56 2pw9 n ASP 53 N 1.29 -1.25 0.15 3.54 8.00 -1.26 -4.91 116.55 122.11 2pw9 n ASP 53 Ca -0.22 -0.80 0.02 0.00 0.71 0.00 0.00 54.79 54.50 2pw9 n ASP 53 Cb 0.56 -4.16 0.19 0.00 -0.02 0.00 0.00 41.12 37.69 2pw9 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2pw9 h LEU 54 N -1.87 0.00 0.25 0.64 3.38 -1.92 -2.05 115.31 113.75 2pw9 h LEU 54 Ca -0.61 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2pw9 h LEU 54 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2pw9 h LEU 54 CO 0.56 0.54 -0.12 -0.33 0.09 0.00 0.00 178.44 179.18 2pw9 h GLU 55 N 0.00 -0.33 -0.14 1.13 5.08 -1.96 -0.26 114.58 118.11 2pw9 h GLU 55 Ca -0.01 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2pw9 h GLU 55 Cb 1.14 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2pw9 h GLU 55 CO 0.07 -0.10 -0.23 0.93 -1.00 0.00 0.00 179.01 178.68 2pw9 h GLU 56 N -0.51 -0.28 -0.52 2.33 3.07 -1.86 -2.37 114.58 114.45 2pw9 h GLU 56 Ca -0.03 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 2pw9 h GLU 56 Cb 0.38 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.26 2pw9 h GLU 56 CO 0.06 -0.19 -0.05 0.35 -1.40 0.00 0.00 179.01 177.78 2pw9 h PHE 57 N -0.29 -0.13 -0.14 4.33 3.57 -1.26 0.76 116.94 123.78 2pw9 h PHE 57 Ca 0.10 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2pw9 h PHE 57 Cb 0.44 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2pw9 h PHE 57 CO -0.34 -0.17 0.01 0.78 -2.23 0.00 0.00 178.31 176.36 2pw9 h GLY 58 N 0.06 0.13 0.94 2.40 0.00 -0.65 0.21 103.07 106.17 2pw9 h GLY 58 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2pw9 h GLY 58 CO -0.48 -0.02 0.14 0.00 0.00 0.00 0.00 176.54 176.19 2pw9 h ALA 59 N 1.11 0.38 0.00 3.60 0.00 -1.11 -2.50 119.26 120.74 2pw9 h ALA 59 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pw9 h ALA 59 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2pw9 h ALA 59 CO -0.10 -0.06 -0.46 0.78 0.00 0.00 0.00 179.25 179.40 2pw9 h GLY 60 N 0.34 0.00 0.84 0.00 0.00 -0.57 -1.67 103.07 102.01 2pw9 h GLY 60 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2pw9 h GLY 60 CO -0.01 0.00 0.04 -2.75 0.00 0.00 0.00 176.54 173.82 2pw9 h PHE 61 N 0.00 0.28 -0.44 5.60 3.57 -0.32 -0.78 116.94 124.84 2pw9 h PHE 61 Ca -0.00 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2pw9 h PHE 61 Cb 0.91 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2pw9 h PHE 61 CO 0.00 0.39 0.04 -0.07 -2.23 0.00 0.00 178.31 176.44 2pw9 h LEU 62 N 0.08 0.74 -0.59 0.59 3.38 -1.17 -1.08 115.31 117.25 2pw9 h LEU 62 Ca 0.05 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2pw9 h LEU 62 Cb 0.26 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2pw9 h LEU 62 CO 0.00 0.84 0.16 0.15 0.09 0.00 0.00 178.44 179.68 2pw9 h PHE 63 N 0.61 0.27 -0.53 1.13 3.57 -1.29 -0.82 116.94 119.88 2pw9 h PHE 63 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2pw9 h PHE 63 Cb 0.44 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2pw9 h PHE 63 CO 0.03 0.02 0.28 0.78 -2.23 0.00 0.00 178.31 177.19 2pw9 h GLY 64 N 0.31 0.79 0.61 2.40 0.00 -0.20 -0.30 103.07 106.67 2pw9 h GLY 64 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2pw9 h GLY 64 CO -0.35 0.33 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 2pw9 n GLN 65 N -4.39 1.14 -0.83 4.80 1.13 -0.50 -4.53 117.38 114.20 2pw9 n GLN 65 Ca 0.05 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2pw9 n GLN 65 Cb 0.11 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2pw9 n GLN 65 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pw9 n GLY 66 N 1.00 0.55 0.10 1.08 0.00 -0.12 -4.76 105.19 103.04 2pw9 n GLY 66 Ca 0.21 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2pw9 n GLY 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2pw9 h TYR 67 N 0.00 0.16 -3.07 1.61 0.05 -1.37 -3.45 116.97 110.90 2pw9 h TYR 67 Ca 0.00 -0.12 -0.61 0.00 0.05 0.00 0.00 58.73 58.05 2pw9 h TYR 67 Cb 0.00 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 2pw9 h TYR 67 CO 0.00 1.27 -0.22 0.42 -1.05 0.00 0.00 178.16 178.58 2pw9 s ILE 68 N -2.33 5.10 -0.05 -2.88 1.01 -1.19 -4.59 121.20 116.27 2pw9 s ILE 68 Ca -0.21 0.79 0.06 0.00 0.00 0.00 0.00 60.65 61.29 2pw9 s ILE 68 Cb 0.01 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 2pw9 s ILE 68 CO 0.70 0.53 0.05 0.29 0.00 0.00 0.00 174.94 176.51 2pw9 n LYS 69 N 2.27 2.41 -3.93 2.79 5.02 -1.26 -4.23 118.16 121.22 2pw9 n LYS 69 Ca -0.13 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 2pw9 n LYS 69 Cb 0.52 -1.16 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 2pw9 n LYS 69 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pw9 s LYS 70 N -2.22 0.39 0.37 1.97 1.02 -1.26 -5.04 119.74 114.97 2pw9 s LYS 70 Ca -0.03 -0.51 0.18 0.00 0.02 0.00 0.00 55.97 55.63 2pw9 s LYS 70 Cb 0.02 0.15 1.16 0.00 -0.52 0.00 0.00 37.83 38.64 2pw9 s LYS 70 CO 0.26 -0.08 1.67 0.00 -0.92 0.00 0.00 175.35 176.28 2pw9 h ALA 71 N 4.49 2.13 0.00 5.17 0.00 -1.93 -2.08 119.26 127.04 2pw9 h ALA 71 Ca -0.31 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pw9 h ALA 71 Cb 1.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2pw9 h ALA 71 CO 0.41 -0.73 0.00 0.39 0.00 0.00 0.00 179.25 179.32 2pw9 n GLU 72 N -4.94 0.14 0.21 0.00 4.71 -1.26 -2.87 120.64 116.63 2pw9 n GLU 72 Ca 0.32 0.19 0.08 0.00 -0.01 0.00 0.00 57.16 57.74 2pw9 n GLU 72 Cb 1.06 -1.69 0.46 0.00 -1.01 0.00 0.00 31.44 30.26 2pw9 n GLU 72 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2pw9 h GLU 73 N 0.00 0.00 -5.99 3.49 5.08 -1.68 -3.45 114.58 112.03 2pw9 h GLU 73 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2pw9 h GLU 73 Cb 0.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2pw9 h GLU 73 CO 0.00 0.27 0.14 0.42 -1.00 0.00 0.00 179.01 178.85 2pw9 s ILE 74 N -3.78 5.02 -0.25 3.13 1.01 -1.14 -0.45 121.20 124.74 2pw9 s ILE 74 Ca -0.01 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.06 2pw9 s ILE 74 Cb 0.11 -4.05 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 2pw9 s ILE 74 CO 0.65 0.20 -0.20 0.54 0.00 0.00 0.00 174.94 176.13 2pw9 n ARG 75 N 4.15 0.64 -3.62 2.79 1.74 0.52 -4.98 116.66 117.90 2pw9 n ARG 75 Ca -0.00 0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 57.16 2pw9 n ARG 75 Cb 0.51 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 2pw9 n ARG 75 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2pw9 s GLU 76 N -2.51 0.69 -0.13 5.56 2.12 -1.02 -5.02 118.70 118.38 2pw9 s GLU 76 Ca -0.35 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2pw9 s GLU 76 Cb 0.10 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.85 2pw9 s GLU 76 CO 0.58 -0.11 -0.12 0.42 -0.54 0.00 0.00 175.26 175.49 2pw9 s ILE 77 N 0.02 1.38 -0.23 -3.70 1.01 -1.26 -0.01 121.20 118.41 2pw9 s ILE 77 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 2pw9 s ILE 77 Cb -0.04 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2pw9 s ILE 77 CO -0.01 0.43 0.04 -0.76 0.00 0.00 0.00 174.94 174.63 2pw9 s LEU 78 N 1.46 3.32 -0.29 2.97 1.43 0.36 -4.98 118.68 122.94 2pw9 s LEU 78 Ca 0.03 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2pw9 s LEU 78 Cb -0.13 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2pw9 s LEU 78 CO -0.08 -0.01 0.46 -0.69 0.23 0.00 0.00 176.35 176.26 2pw9 s VAL 79 N 1.43 5.10 -0.35 -1.59 1.01 -1.26 -0.86 120.40 123.88 2pw9 s VAL 79 Ca 0.05 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 2pw9 s VAL 79 Cb -0.15 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2pw9 s VAL 79 CO 0.02 0.04 0.27 0.00 0.00 0.00 0.00 175.10 175.43 2pw9 h PRO 81 N 8.50 0.00 -0.00 0.00 0.11 -1.98 -1.20 132.00 137.44 2pw9 h PRO 81 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pw9 h PRO 81 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2pw9 h PRO 81 CO 0.66 0.00 -0.25 1.04 -0.21 0.00 0.00 178.00 179.24 2pw9 n GLN 82 N -3.13 0.12 0.00 1.05 3.00 -1.26 -4.90 117.38 112.26 2pw9 n GLN 82 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2pw9 n GLN 82 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.25 2pw9 n GLN 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pw9 n GLY 83 N 1.47 1.03 2.96 1.08 0.00 -0.48 -5.06 105.19 106.20 2pw9 n GLY 83 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2pw9 n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pw9 s ARG 84 N 0.00 0.40 -0.22 1.61 3.52 -1.06 -1.75 118.95 121.45 2pw9 s ARG 84 Ca 0.00 -0.26 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2pw9 s ARG 84 Cb 0.00 -0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.06 2pw9 s ARG 84 CO 0.00 0.09 -0.12 0.42 -0.81 0.00 0.00 175.30 174.88 2pw9 s ILE 85 N -0.31 2.60 -0.33 4.11 1.01 0.26 -0.69 121.20 127.86 2pw9 s ILE 85 Ca -0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2pw9 s ILE 85 Cb -0.03 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.22 2pw9 s ILE 85 CO -0.00 0.36 0.16 -0.44 0.00 0.00 0.00 174.94 175.02 2pw9 s SER 86 N 1.33 5.53 -0.13 3.58 0.01 -0.04 -1.05 113.70 122.93 2pw9 s SER 86 Ca 0.03 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 2pw9 s SER 86 Cb -0.15 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2pw9 s SER 86 CO -0.08 -0.27 0.04 -0.69 0.41 0.00 0.00 173.24 172.65 2pw9 s VAL 87 N 1.56 4.59 -0.23 3.43 1.01 -0.10 -0.49 120.40 130.17 2pw9 s VAL 87 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2pw9 s VAL 87 Cb -0.18 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2pw9 s VAL 87 CO 0.05 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.33 2pw9 s TYR 88 N -0.42 2.98 -0.04 5.22 2.02 0.98 -0.44 117.35 127.65 2pw9 s TYR 88 Ca 0.09 -1.27 -0.13 0.00 -0.37 0.00 0.00 57.07 55.39 2pw9 s TYR 88 Cb -0.12 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2pw9 s TYR 88 CO 0.02 -0.66 0.29 0.00 -1.57 0.00 0.00 175.55 173.63 2pw9 s ALA 89 N 1.40 -0.73 -1.08 3.71 0.00 -1.26 -0.35 121.76 123.44 2pw9 s ALA 89 Ca 0.04 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 2pw9 s ALA 89 Cb -0.15 -0.10 0.10 0.00 0.00 0.00 0.00 23.12 22.97 2pw9 s ALA 89 CO -0.05 -0.22 1.42 -0.51 0.00 0.00 0.00 175.76 176.40 2pw9 s ASP 90 N -0.88 6.71 0.04 0.00 1.01 0.41 -4.88 116.67 119.07 2pw9 s ASP 90 Ca -0.10 -2.09 -0.00 0.00 0.71 0.00 0.00 52.55 51.07 2pw9 s ASP 90 Cb -0.05 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2pw9 s ASP 90 CO 0.03 -1.18 0.18 0.68 0.21 0.00 0.00 175.17 175.09 2pw9 s VAL 91 N 3.59 5.25 0.25 -1.27 -7.23 -1.26 -4.80 120.40 114.93 2pw9 s VAL 91 Ca 0.43 -0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 60.18 2pw9 s VAL 91 Cb -0.01 -3.52 0.25 0.00 0.56 0.00 0.00 36.38 33.65 2pw9 s VAL 91 CO -0.04 0.20 1.68 -0.08 -0.31 0.00 0.00 175.10 176.54 2pw9 h GLU 92 N 3.35 0.26 -2.48 4.82 4.81 -1.96 -3.45 114.58 119.93 2pw9 h GLU 92 Ca -0.46 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 2pw9 h GLU 92 Cb 1.17 -0.06 -0.25 0.00 0.63 0.00 0.00 28.75 30.24 2pw9 h GLU 92 CO 0.72 0.17 -0.20 1.21 -0.73 0.00 0.00 179.01 180.19 2pw9 s ASN 93 N -5.22 -0.61 0.00 1.04 2.47 -1.26 -5.06 114.94 106.30 2pw9 s ASN 93 Ca -0.13 1.05 0.04 0.00 0.42 0.00 0.00 52.86 54.24 2pw9 s ASN 93 Cb 0.22 0.95 0.10 0.00 -1.45 0.00 0.00 41.25 41.07 2pw9 s ASN 93 CO 0.76 -0.20 1.00 -0.62 -3.72 0.00 0.00 177.10 174.32 2pw9 n GLU 94 N 4.01 2.30 -2.87 0.43 1.02 -1.26 -4.81 120.64 119.46 2pw9 n GLU 94 Ca -0.21 -1.52 -0.40 0.00 -0.02 0.00 0.00 57.16 55.01 2pw9 n GLU 94 Cb 0.56 -1.10 -0.05 0.00 -0.02 0.00 0.00 31.44 30.84 2pw9 n GLU 94 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2pw9 s GLU 95 N -0.87 4.57 1.11 3.49 2.56 -1.26 -5.15 118.70 123.14 2pw9 s GLU 95 Ca 0.08 1.22 -0.13 0.00 0.00 0.00 0.00 54.97 56.14 2pw9 s GLU 95 Cb 0.04 -3.38 0.22 0.00 2.00 0.00 0.00 34.13 33.01 2pw9 s GLU 95 CO 0.06 0.21 0.86 -0.35 -0.56 0.00 0.00 175.26 175.47 2pw9 n PRO 96 N 2.98 -1.86 -0.08 4.30 -0.04 -1.26 -5.10 135.00 133.94 2pw9 n PRO 96 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 2pw9 n PRO 96 Cb 0.50 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2pw9 n PRO 96 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2pw9 n LYS 110 N -4.23 0.00 -4.06 0.54 4.81 -1.26 -5.21 118.16 108.75 2pw9 n LYS 110 Ca 0.05 0.08 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 2pw9 n LYS 110 Cb 0.55 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.45 2pw9 n LYS 110 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2pw9 s ILE 111 N -0.29 0.27 0.39 3.15 1.01 -1.26 -4.84 121.20 119.63 2pw9 s ILE 111 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 2pw9 s ILE 111 Cb 0.00 -0.24 -0.10 0.00 0.01 0.00 0.00 42.46 42.13 2pw9 s ILE 111 CO 0.00 0.07 0.95 -2.16 0.00 0.00 0.00 174.94 173.80 2pw9 s PRO 112 N -0.09 4.37 0.45 2.79 0.05 -1.26 -4.97 135.00 136.34 2pw9 s PRO 112 Ca 0.01 1.21 0.30 0.00 0.05 0.00 0.00 61.00 62.57 2pw9 s PRO 112 Cb -0.01 -2.43 1.11 0.00 0.05 0.00 0.00 34.50 33.22 2pw9 s PRO 112 CO -0.00 0.09 1.86 -0.22 0.05 0.00 0.00 177.00 178.78 2pw9 h LYS 113 N 2.42 0.00 -0.10 4.56 3.64 -2.00 -3.09 116.57 122.00 2pw9 h LYS 113 Ca -0.48 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 2pw9 h LYS 113 Cb 1.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2pw9 h LYS 113 CO 0.63 0.00 -0.44 1.05 -2.27 0.00 0.00 179.45 178.41 2pw9 h GLU 114 N 0.00 0.47 -0.61 1.90 4.11 -1.93 -2.94 114.58 115.58 2pw9 h GLU 114 Ca 0.00 -0.38 0.08 0.00 0.07 0.00 0.00 59.36 59.13 2pw9 h GLU 114 Cb 0.56 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2pw9 h GLU 114 CO 0.00 1.01 0.27 0.52 0.07 0.00 0.00 179.01 180.87 2pw9 h MET 115 N 0.05 0.47 -0.20 1.06 2.86 -1.95 -2.76 114.93 114.46 2pw9 h MET 115 Ca -0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2pw9 h MET 115 Cb 1.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2pw9 h MET 115 CO 0.09 0.31 0.12 -0.07 1.06 0.00 0.00 176.91 178.42 2pw9 h LEU 116 N 0.48 0.24 -7.87 1.22 3.38 -1.58 -3.47 115.31 107.72 2pw9 h LEU 116 Ca 0.29 -0.06 -0.71 0.00 0.09 0.00 0.00 57.88 57.50 2pw9 h LEU 116 Cb 0.31 -0.06 -0.32 0.00 0.09 0.00 0.00 40.66 40.68 2pw9 h LEU 116 CO -0.26 0.23 -0.45 -1.61 0.09 0.00 0.00 178.44 176.44 2pw9 s GLU 117 N -5.97 2.30 0.11 1.13 2.02 -1.04 -5.12 118.70 112.12 2pw9 s GLU 117 Ca -0.13 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 52.95 2pw9 s GLU 117 Cb 0.08 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 2pw9 s GLU 117 CO 0.70 -1.14 0.34 -1.21 0.02 0.00 0.00 175.26 173.96 2pw9 s GLU 119 N 1.13 3.59 -0.19 1.61 0.41 -1.26 -4.98 118.70 119.00 2pw9 s GLU 119 Ca 0.08 -0.14 -0.06 0.00 -0.41 0.00 0.00 54.97 54.44 2pw9 s GLU 119 Cb -0.24 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2pw9 s GLU 119 CO -0.03 0.51 0.03 -0.06 -0.49 0.00 0.00 175.26 175.22 2pw9 s PHE 120 N -1.59 3.12 0.98 1.61 0.08 -1.26 -5.11 117.98 115.81 2pw9 s PHE 120 Ca 0.38 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.09 2pw9 s PHE 120 Cb -0.12 -2.09 0.16 0.00 -0.57 0.00 0.00 43.02 40.40 2pw9 s PHE 120 CO 0.24 -0.08 0.97 0.00 -0.10 0.00 0.00 175.22 176.25 2pw9 n ALA 121 N 3.99 -1.58 -1.44 5.36 0.00 -1.26 -4.96 120.51 120.61 2pw9 n ALA 121 Ca -0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 53.44 52.22 2pw9 n ALA 121 Cb 0.52 -2.08 0.09 0.00 0.00 0.00 0.00 19.45 17.98 2pw9 n ALA 121 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pw9 s PRO 122 N -4.40 2.21 0.68 0.00 0.02 -1.26 -5.00 135.00 127.24 2pw9 s PRO 122 Ca 0.65 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 2pw9 s PRO 122 Cb -0.23 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.53 2pw9 s PRO 122 CO 0.61 -1.81 0.96 -0.51 -0.33 0.00 0.00 177.00 175.92 2pw9 s LEU 123 N -4.96 2.97 0.00 -5.54 1.43 -1.26 -4.85 118.68 106.46 2pw9 s LEU 123 Ca 0.77 0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 2pw9 s LEU 123 Cb -0.32 -2.80 0.30 0.00 0.03 0.00 0.00 46.19 43.41 2pw9 s LEU 123 CO 0.44 -1.58 1.07 0.00 0.23 0.00 0.00 176.35 176.51 2pw9 n ALA 124 N -2.79 -3.41 0.96 4.21 0.00 0.05 -4.97 120.51 114.55 2pw9 n ALA 124 Ca 0.10 -1.60 0.10 0.00 0.00 0.00 0.00 53.44 52.03 2pw9 n ALA 124 Cb 0.60 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 2pw9 n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pw9 n ASP 125 N -4.86 0.96 -4.75 0.00 8.00 -1.26 -4.63 116.55 110.01 2pw9 n ASP 125 Ca 0.15 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.29 2pw9 n ASP 125 Cb 0.58 1.02 0.03 0.00 -0.02 0.00 0.00 41.12 42.73 2pw9 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pw9 n TYR 126 N -1.51 2.47 -4.37 1.24 9.36 -1.26 -5.04 117.16 118.04 2pw9 n TYR 126 Ca 0.04 0.44 -0.20 0.00 3.32 0.00 0.00 57.90 61.50 2pw9 n TYR 126 Cb 0.33 -2.41 -0.15 0.00 -0.63 0.00 0.00 39.34 36.48 2pw9 n TYR 126 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2pw9 s LEU 128 N 0.13 4.11 0.17 0.00 2.96 0.32 -4.94 118.68 121.43 2pw9 s LEU 128 Ca -0.02 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 2pw9 s LEU 128 Cb -0.08 -2.20 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 2pw9 s LEU 128 CO 0.00 0.01 1.25 -2.84 -1.32 0.00 0.00 176.35 173.46 2pw9 s PRO 129 N 1.22 4.44 0.35 0.98 0.02 -1.26 -0.25 135.00 140.50 2pw9 s PRO 129 Ca 0.10 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.12 2pw9 s PRO 129 Cb -0.14 -3.24 0.74 0.00 0.02 0.00 0.00 34.50 31.88 2pw9 s PRO 129 CO 0.06 -0.19 1.92 0.35 -0.33 0.00 0.00 177.00 178.81 2pw9 h PHE 130 N 5.56 0.83 0.00 6.54 3.57 -1.47 -0.96 116.94 131.01 2pw9 h PHE 130 Ca -0.44 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2pw9 h PHE 130 Cb 1.21 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2pw9 h PHE 130 CO 0.63 0.39 -0.02 0.00 -2.23 0.00 0.00 178.31 177.08 2pw9 h ALA 131 N 1.59 1.00 0.00 2.41 0.00 -1.91 -2.35 119.26 120.00 2pw9 h ALA 131 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2pw9 h ALA 131 Cb 0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pw9 h ALA 131 CO -0.15 0.02 -0.13 0.93 0.00 0.00 0.00 179.25 179.93 2pw9 h GLU 132 N 0.00 0.00 -0.76 0.00 5.08 -1.56 -3.35 114.58 113.98 2pw9 h GLU 132 Ca -0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2pw9 h GLU 132 Cb 0.53 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2pw9 h GLU 132 CO 0.00 0.13 0.34 0.82 -1.00 0.00 0.00 179.01 179.30 2pw9 h ILE 133 N 0.00 0.71 -0.99 3.13 2.04 -1.43 0.39 117.51 121.35 2pw9 h ILE 133 Ca -0.00 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2pw9 h ILE 133 Cb 1.09 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2pw9 h ILE 133 CO 0.02 0.09 0.64 0.07 0.00 0.00 0.00 178.15 178.97 2pw9 h LYS 134 N 0.51 1.12 -0.26 2.37 2.10 -1.65 -1.26 116.57 119.49 2pw9 h LYS 134 Ca 0.41 -0.07 -0.18 0.00 -2.00 0.00 0.00 60.65 58.82 2pw9 h LYS 134 Cb 0.59 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2pw9 h LYS 134 CO -0.37 0.74 -0.54 0.77 -2.00 0.00 0.00 179.45 178.05 2pw9 h SER 135 N 1.15 0.87 0.22 7.07 0.02 -1.20 -2.15 113.55 119.53 2pw9 h SER 135 Ca 0.43 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2pw9 h SER 135 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2pw9 h SER 135 CO -0.17 1.23 -0.18 0.15 -1.14 0.00 0.00 176.83 176.72 2pw9 h PHE 136 N 0.60 -0.47 -0.19 3.45 3.57 -0.88 -0.75 116.94 122.27 2pw9 h PHE 136 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2pw9 h PHE 136 Cb 1.12 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2pw9 h PHE 136 CO 0.06 -0.27 0.05 0.82 -2.23 0.00 0.00 178.31 176.74 2pw9 h ILE 137 N -0.41 1.21 -0.29 1.41 2.04 -1.27 -0.29 117.51 119.89 2pw9 h ILE 137 Ca -0.01 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 2pw9 h ILE 137 Cb 0.37 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2pw9 h ILE 137 CO -0.02 0.20 0.01 0.03 0.00 0.00 0.00 178.15 178.38 2pw9 h ARG 138 N 0.12 0.51 -0.62 2.37 -0.00 -1.37 -0.74 114.38 114.65 2pw9 h ARG 138 Ca 0.06 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 2pw9 h ARG 138 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.16 2pw9 h ARG 138 CO 0.00 0.65 0.39 0.93 0.00 0.00 0.00 179.97 181.94 2pw9 h GLU 139 N 0.31 0.83 0.22 0.04 5.08 -0.96 -0.33 114.58 119.76 2pw9 h GLU 139 Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2pw9 h GLU 139 Cb 0.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2pw9 h GLU 139 CO 0.01 0.57 -0.10 0.00 -1.00 0.00 0.00 179.01 178.49 2pw9 h ALA 140 N 1.21 -0.29 0.00 3.43 0.00 -0.92 -2.32 119.26 120.36 2pw9 h ALA 140 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2pw9 h ALA 140 Cb -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2pw9 h ALA 140 CO -0.05 -0.62 -0.22 -0.07 0.00 0.00 0.00 179.25 178.29 2pw9 h LEU 141 N -0.38 0.00 -2.65 0.00 3.38 -1.04 -2.93 115.31 111.70 2pw9 h LEU 141 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pw9 h LEU 141 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pw9 h LEU 141 CO 0.05 0.22 0.00 1.41 0.09 0.00 0.00 178.44 180.21 2pw9 n HIS 142 N -4.04 0.96 0.14 1.13 8.25 -0.14 -4.38 115.22 117.13 2pw9 n HIS 142 Ca -0.02 -0.48 0.02 0.00 -0.26 0.00 0.00 57.72 56.98 2pw9 n HIS 142 Cb 0.30 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.49 2pw9 n HIS 142 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2pw9 h SER 143 N 4.22 0.00 -4.30 0.41 0.87 -1.22 -3.45 113.55 110.08 2pw9 h SER 143 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 2pw9 h SER 143 Cb 0.96 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.69 2pw9 h SER 143 CO 0.00 0.55 -0.34 -0.55 -0.53 0.00 0.00 176.83 175.96 2pw9 s SER 144 N -6.49 -0.25 0.00 6.23 0.15 -1.26 -5.05 113.70 107.02 2pw9 s SER 144 Ca 0.03 0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.36 2pw9 s SER 144 Cb 0.09 0.50 1.34 0.00 -1.71 0.00 0.00 66.02 66.23 2pw9 s SER 144 CO 0.74 -0.24 1.94 -0.81 1.20 0.00 0.00 173.24 176.08 2pw9 n PRO 145 N 2.28 0.47 -0.24 5.44 -0.04 -1.26 -4.40 135.00 137.25 2pw9 n PRO 145 Ca -0.16 -0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.14 2pw9 n PRO 145 Cb 0.57 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2pw9 n PRO 145 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2pw9 h LEU 146 N 0.22 1.05 0.78 1.53 3.38 -1.97 -1.81 115.31 118.49 2pw9 h LEU 146 Ca 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2pw9 h LEU 146 Cb 0.34 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pw9 h LEU 146 CO 0.00 1.01 -0.46 1.23 0.09 0.00 0.00 178.44 180.31 2pw9 h GLY 147 N 1.07 -1.27 0.91 0.83 0.00 -1.87 0.13 103.07 102.87 2pw9 h GLY 147 Ca 0.22 0.51 0.15 0.00 0.00 0.00 0.00 47.33 48.21 2pw9 h GLY 147 CO 0.00 -0.44 0.40 -2.55 0.00 0.00 0.00 176.54 173.95 2pw9 h PRO 148 N -1.16 0.05 0.00 4.80 0.11 -1.85 -1.06 132.00 132.89 2pw9 h PRO 148 Ca -0.10 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 2pw9 h PRO 148 Cb 0.93 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2pw9 h PRO 148 CO 0.11 0.03 -0.27 1.96 -0.21 0.00 0.00 178.00 179.62 2pw9 h GLN 149 N 0.05 0.00 0.00 1.05 4.20 -1.05 -3.42 115.11 115.94 2pw9 h GLN 149 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2pw9 h GLN 149 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2pw9 h GLN 149 CO -0.02 0.72 -1.65 0.25 -0.67 0.00 0.00 178.83 177.46 2pw9 n THR 150 N -4.61 0.08 -1.97 -0.54 -2.24 0.43 -4.34 114.28 101.09 2pw9 n THR 150 Ca -0.12 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2pw9 n THR 150 Cb 0.40 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2pw9 n THR 150 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pw9 n HIS 151 N -2.17 -0.92 -1.98 4.78 8.25 -0.40 -4.67 115.22 118.11 2pw9 n HIS 151 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 2pw9 n HIS 151 Cb 0.52 -2.75 0.05 0.00 1.12 0.00 0.00 29.99 28.92 2pw9 n HIS 151 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pw9 s VAL 153 N -0.72 0.63 0.18 0.00 -7.23 -1.26 -4.42 120.40 107.58 2pw9 s VAL 153 Ca 0.19 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 2pw9 s VAL 153 Cb 0.20 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 2pw9 s VAL 153 CO -0.05 0.02 0.32 -1.00 -0.31 0.00 0.00 175.10 174.07 2pw9 s HIS 154 N -0.52 3.48 0.11 2.82 3.76 0.12 -4.79 115.29 120.27 2pw9 s HIS 154 Ca -0.00 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.05 2pw9 s HIS 154 Cb -0.05 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2pw9 s HIS 154 CO 0.00 0.48 -0.14 0.20 -0.85 0.00 0.00 174.74 174.44 2pw9 s GLY 155 N -3.46 1.02 -0.11 -2.22 0.00 -1.26 -1.68 107.32 99.60 2pw9 s GLY 155 Ca 0.35 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 2pw9 s GLY 155 CO 0.29 -1.29 0.27 0.00 0.00 0.00 0.00 173.10 172.37 2pw9 s GLY 157 N 1.21 1.04 -0.04 0.00 0.00 -0.24 -1.04 107.32 108.24 2pw9 s GLY 157 Ca -0.09 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2pw9 s GLY 157 CO -0.09 -1.47 -0.20 1.08 0.00 0.00 0.00 173.10 172.42 2pw9 s LEU 158 N -3.11 2.37 -0.08 0.66 1.43 -0.14 -1.75 118.68 118.06 2pw9 s LEU 158 Ca 0.20 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2pw9 s LEU 158 Cb 0.06 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2pw9 s LEU 158 CO 0.01 0.31 -0.21 0.86 0.23 0.00 0.00 176.35 177.56 2pw9 s TRP 159 N -0.55 2.22 0.18 0.29 -0.11 0.02 -0.43 118.94 120.55 2pw9 s TRP 159 Ca 0.08 -0.86 -0.23 0.00 1.22 0.00 0.00 56.10 56.31 2pw9 s TRP 159 Cb -0.11 -1.50 0.06 0.00 -1.50 0.00 0.00 33.47 30.41 2pw9 s TRP 159 CO 0.01 -0.35 0.71 0.54 -4.62 0.00 0.00 176.95 173.24 2pw9 s ASN 160 N 0.37 -0.40 -1.43 5.86 2.20 -0.97 -0.69 114.94 119.87 2pw9 s ASN 160 Ca -0.16 -0.24 -0.13 0.00 -0.94 0.00 0.00 52.86 51.39 2pw9 s ASN 160 Cb -0.17 0.60 0.10 0.00 -2.00 0.00 0.00 41.25 39.79 2pw9 s ASN 160 CO 0.07 -1.04 0.63 0.59 -2.94 0.00 0.00 177.10 174.41 2pw9 n ASN 161 N -0.40 -3.63 -0.94 3.54 3.02 -1.26 -1.41 115.26 114.18 2pw9 n ASN 161 Ca -0.11 -0.63 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 2pw9 n ASN 161 Cb 0.62 -2.99 -0.05 0.00 -0.61 0.00 0.00 39.78 36.75 2pw9 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pw9 n GLY 162 N -1.28 1.30 3.51 7.41 0.00 -1.26 -4.98 105.19 109.89 2pw9 n GLY 162 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2pw9 n GLY 162 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pw9 s ARG 163 N -2.96 1.60 -0.66 1.61 3.03 -0.50 -5.07 118.95 116.01 2pw9 s ARG 163 Ca 0.00 -1.44 -0.25 0.00 2.03 0.00 0.00 55.73 56.07 2pw9 s ARG 163 Cb 0.00 0.44 0.05 0.00 -1.03 0.00 0.00 34.95 34.41 2pw9 s ARG 163 CO 0.00 -0.65 1.07 -1.17 -1.13 0.00 0.00 175.30 173.42 2pw9 s LEU 164 N -3.10 3.89 -0.03 -1.89 2.96 -1.26 -2.29 118.68 116.95 2pw9 s LEU 164 Ca 0.27 -0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 2pw9 s LEU 164 Cb 0.01 -2.59 -0.20 0.00 0.50 0.00 0.00 46.19 43.90 2pw9 s LEU 164 CO 0.12 -1.53 1.17 -0.61 -1.32 0.00 0.00 176.35 174.19 2pw9 h GLN 165 N 9.66 -0.06 -4.05 1.98 4.15 -1.05 -3.46 115.11 122.28 2pw9 h GLN 165 Ca -0.28 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.00 2pw9 h GLN 165 Cb 1.06 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 28.59 2pw9 h GLN 165 CO 1.19 0.45 -0.66 0.14 -1.93 0.00 0.00 178.83 178.02 2pw9 s VAL 166 N -4.02 0.16 -0.15 2.39 -7.23 -1.24 -5.00 120.40 105.31 2pw9 s VAL 166 Ca -0.16 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 2pw9 s VAL 166 Cb 0.01 -0.86 0.06 0.00 0.56 0.00 0.00 36.38 36.15 2pw9 s VAL 166 CO 0.64 -0.71 0.36 -0.47 -0.31 0.00 0.00 175.10 174.61 2pw9 s TYR 167 N -2.61 -0.55 0.05 2.82 5.04 -1.26 -0.97 117.35 119.87 2pw9 s TYR 167 Ca -0.05 1.18 0.05 0.00 -2.44 0.00 0.00 57.07 55.80 2pw9 s TYR 167 Cb -0.02 0.20 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 2pw9 s TYR 167 CO -0.05 -0.34 -0.13 -1.01 -1.34 0.00 0.00 175.55 172.68 2pw9 s HIS 168 N 1.60 1.16 0.15 4.97 3.76 -0.21 -5.00 115.29 121.72 2pw9 s HIS 168 Ca -0.08 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.55 2pw9 s HIS 168 Cb -0.10 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.87 2pw9 s HIS 168 CO -0.11 0.03 -0.24 -1.21 -0.85 0.00 0.00 174.74 172.36 2pw9 s GLU 169 N -1.30 1.37 0.28 1.40 2.02 -1.26 -1.24 118.70 119.96 2pw9 s GLU 169 Ca -0.00 -1.37 -0.18 0.00 0.02 0.00 0.00 54.97 53.43 2pw9 s GLU 169 Cb -0.08 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.45 2pw9 s GLU 169 CO 0.01 0.39 0.66 0.34 0.02 0.00 0.00 175.26 176.69 2pw9 s ASP 170 N -2.29 -0.17 0.30 -0.19 2.15 -0.68 -4.81 116.67 110.99 2pw9 s ASP 170 Ca 0.15 -0.75 0.15 0.00 0.43 0.00 0.00 52.55 52.53 2pw9 s ASP 170 Cb -0.09 0.71 0.35 0.00 -0.30 0.00 0.00 42.92 43.59 2pw9 s ASP 170 CO 0.07 -1.33 1.58 0.58 -0.17 0.00 0.00 175.17 175.90 2pw9 h VAL 171 N 2.06 1.02 -3.62 1.11 2.07 -1.86 0.35 116.25 117.38 2pw9 h VAL 171 Ca -0.22 -2.03 -0.67 0.00 0.82 0.00 0.00 66.70 64.60 2pw9 h VAL 171 Cb 1.25 2.22 -0.24 0.00 -1.52 0.00 0.00 31.29 33.00 2pw9 h VAL 171 CO 0.28 0.50 -0.74 -0.83 0.02 0.00 0.00 177.57 176.80 2pw9 s GLY 172 N -4.44 1.59 0.34 2.17 0.00 -1.26 -4.53 107.32 101.19 2pw9 s GLY 172 Ca 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.90 2pw9 s GLY 172 CO 0.73 -0.46 1.83 0.07 0.00 0.00 0.00 173.10 175.27 2pw9 h ARG 173 N 5.98 0.30 -0.56 2.90 0.11 -1.93 -2.06 114.38 119.11 2pw9 h ARG 173 Ca -0.37 -0.09 -0.09 0.00 0.10 0.00 0.00 59.98 59.52 2pw9 h ARG 173 Cb 1.18 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 2pw9 h ARG 173 CO 0.54 0.50 -0.01 0.45 0.10 0.00 0.00 179.97 181.55 2pw9 h HIS 174 N 0.27 1.07 -0.09 4.08 3.86 -1.98 -2.26 115.15 120.11 2pw9 h HIS 174 Ca 0.05 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 2pw9 h HIS 174 Cb 0.52 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2pw9 h HIS 174 CO 0.01 0.96 -0.45 -0.91 0.86 0.00 0.00 177.93 178.40 2pw9 h ASN 175 N 0.90 0.22 -0.43 2.45 2.35 -1.81 -1.17 115.58 118.09 2pw9 h ASN 175 Ca 0.16 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2pw9 h ASN 175 Cb 0.54 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2pw9 h ASN 175 CO 0.03 0.64 -0.19 0.00 -1.65 0.00 0.00 177.43 176.26 2pw9 h ALA 176 N 1.37 0.77 -0.41 -0.83 0.00 -1.17 -1.90 119.26 117.10 2pw9 h ALA 176 Ca 0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2pw9 h ALA 176 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2pw9 h ALA 176 CO 0.07 0.66 -0.28 0.28 0.00 0.00 0.00 179.25 179.98 2pw9 h VAL 177 N 0.81 1.28 -0.96 0.00 2.07 -1.13 -2.95 116.25 115.37 2pw9 h VAL 177 Ca 0.11 -1.44 0.17 0.00 0.82 0.00 0.00 66.70 66.36 2pw9 h VAL 177 Cb 0.75 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 2pw9 h VAL 177 CO 0.06 0.49 0.56 0.44 0.02 0.00 0.00 177.57 179.13 2pw9 h ASP 178 N 0.74 0.72 -0.76 0.57 3.45 -1.06 -1.34 116.42 118.74 2pw9 h ASP 178 Ca 0.08 0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 2pw9 h ASP 178 Cb 0.86 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.56 2pw9 h ASP 178 CO 0.08 0.29 0.31 0.11 -1.57 0.00 0.00 179.24 178.45 2pw9 h LYS 179 N 0.75 1.14 -0.18 3.56 1.57 -1.19 0.25 116.57 122.46 2pw9 h LYS 179 Ca 0.53 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2pw9 h LYS 179 Cb 0.77 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2pw9 h LYS 179 CO -0.36 0.93 0.06 0.28 -0.57 0.00 0.00 179.45 179.78 2pw9 h VAL 180 N 1.10 1.18 -0.49 0.50 2.07 -1.20 0.33 116.25 119.74 2pw9 h VAL 180 Ca 0.26 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.31 2pw9 h VAL 180 Cb 0.21 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 2pw9 h VAL 180 CO -0.02 0.18 -0.04 -0.07 0.02 0.00 0.00 177.57 177.63 2pw9 h LEU 181 N 0.12 -0.29 -1.04 2.57 3.38 -1.05 -1.53 115.31 117.47 2pw9 h LEU 181 Ca 0.06 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2pw9 h LEU 181 Cb 0.22 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2pw9 h LEU 181 CO -0.00 -0.10 0.64 1.23 0.09 0.00 0.00 178.44 180.29 2pw9 h GLY 182 N 0.07 1.47 0.86 0.83 0.00 -0.22 0.37 103.07 106.45 2pw9 h GLY 182 Ca 0.24 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2pw9 h GLY 182 CO -0.44 0.35 0.28 1.76 0.00 0.00 0.00 176.54 178.49 2pw9 h SER 183 N 1.16 0.45 0.03 0.19 0.02 0.00 -1.56 113.55 113.84 2pw9 h SER 183 Ca 0.42 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2pw9 h SER 183 Cb 0.14 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2pw9 h SER 183 CO -0.16 0.32 -0.02 0.40 -1.14 0.00 0.00 176.83 176.23 2pw9 h ILE 184 N 0.56 0.96 0.00 3.27 2.04 -0.29 -0.26 117.51 123.78 2pw9 h ILE 184 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 2pw9 h ILE 184 Cb 0.04 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2pw9 h ILE 184 CO -0.10 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.96 2pw9 h LEU 185 N -0.05 0.00 -2.31 1.44 3.38 -0.81 -1.80 115.31 115.16 2pw9 h LEU 185 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pw9 h LEU 185 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pw9 h LEU 185 CO 0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.74 2pw9 n LEU 186 N -3.57 3.40 -1.23 1.67 4.77 -0.60 -4.44 117.00 116.99 2pw9 n LEU 186 Ca -0.03 -1.70 -0.14 0.00 -0.03 0.00 0.00 56.01 54.11 2pw9 n LEU 186 Cb 0.12 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2pw9 n LEU 186 CO 0.26 0.79 -0.15 0.61 -1.33 0.00 0.00 177.39 177.57 2pw9 n GLY 187 N 1.37 0.98 0.82 -0.72 0.00 -0.68 -4.88 105.19 102.09 2pw9 n GLY 187 Ca 0.20 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2pw9 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pw9 n ARG 188 N -2.52 2.13 -3.53 1.61 1.74 -0.15 -4.98 116.66 110.96 2pw9 n ARG 188 Ca -0.15 -1.65 -0.08 0.00 -0.77 0.00 0.00 57.85 55.20 2pw9 n ARG 188 Cb 0.51 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 2pw9 n ARG 188 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pw9 s ALA 189 N -1.95 -1.76 0.06 7.54 0.00 -1.17 -4.87 121.76 119.61 2pw9 s ALA 189 Ca 0.32 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.12 2pw9 s ALA 189 Cb 0.20 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2pw9 s ALA 189 CO 0.31 -0.76 -0.06 0.45 0.00 0.00 0.00 175.76 175.70 2pw9 s SER 190 N -2.59 4.65 0.11 0.00 0.15 -1.26 -4.27 113.70 110.49 2pw9 s SER 190 Ca 0.06 -0.23 0.20 0.00 0.70 0.00 0.00 55.95 56.68 2pw9 s SER 190 Cb -0.01 -1.03 0.81 0.00 -1.71 0.00 0.00 66.02 64.08 2pw9 s SER 190 CO -0.08 0.22 1.61 -0.46 1.20 0.00 0.00 173.24 175.74 2pw9 n ASN 191 N 1.05 0.31 -4.06 5.45 6.94 -1.26 -4.37 115.26 119.32 2pw9 n ASN 191 Ca -0.14 0.57 -0.43 0.00 -0.02 0.00 0.00 54.58 54.57 2pw9 n ASN 191 Cb 0.52 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 2pw9 n ASN 191 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2pw9 n ASN 192 N -1.84 4.77 -3.58 0.53 5.15 -1.26 -4.09 115.26 114.95 2pw9 n ASN 192 Ca 0.03 -2.98 -0.08 0.00 -0.60 0.00 0.00 54.58 50.95 2pw9 n ASN 192 Cb 0.22 -1.59 -0.02 0.00 -0.53 0.00 0.00 39.78 37.86 2pw9 n ASN 192 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2pw9 s SER 193 N 2.39 -0.36 0.05 1.20 0.01 -1.26 -4.76 113.70 110.97 2pw9 s SER 193 Ca 0.44 -0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.45 2pw9 s SER 193 Cb 0.07 0.49 -0.06 0.00 0.21 0.00 0.00 66.02 66.74 2pw9 s SER 193 CO -0.01 -0.83 0.38 0.00 0.41 0.00 0.00 173.24 173.19 2pw9 s ALA 194 N -3.37 3.74 -0.06 1.44 0.00 0.13 -4.21 121.76 119.43 2pw9 s ALA 194 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2pw9 s ALA 194 Cb -0.02 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 2pw9 s ALA 194 CO -0.06 0.56 0.01 0.54 0.00 0.00 0.00 175.76 176.81 2pw9 s VAL 195 N -1.30 4.31 -0.05 0.00 0.11 -0.44 -0.80 120.40 122.24 2pw9 s VAL 195 Ca 0.30 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2pw9 s VAL 195 Cb -0.14 -2.86 -0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2pw9 s VAL 195 CO 0.16 0.52 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.81 2pw9 s TYR 196 N -0.96 1.81 0.09 1.54 5.04 -0.72 0.35 117.35 124.50 2pw9 s TYR 196 Ca 0.16 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.27 2pw9 s TYR 196 Cb -0.11 -1.22 -0.04 0.00 0.35 0.00 0.00 41.96 40.94 2pw9 s TYR 196 CO 0.05 -0.19 -0.08 -0.08 -1.34 0.00 0.00 175.55 173.92 2pw9 s THR 197 N 0.07 0.73 -0.57 4.34 -1.32 -0.13 -1.08 115.64 117.69 2pw9 s THR 197 Ca -0.05 -1.68 0.26 0.00 -1.21 0.00 0.00 61.69 59.01 2pw9 s THR 197 Cb -0.12 -1.37 0.30 0.00 -1.51 0.00 0.00 72.50 69.80 2pw9 s THR 197 CO 0.03 -0.69 1.74 0.71 -2.21 0.00 0.00 174.62 174.20 2pw9 h THR 198 N 3.44 0.00 -3.76 5.08 1.35 -1.69 -1.16 112.91 116.17 2pw9 h THR 198 Ca -0.36 -0.58 -0.50 0.00 -0.55 0.00 0.00 66.41 64.43 2pw9 h THR 198 Cb 1.18 1.54 0.03 0.00 -1.73 0.00 0.00 68.15 69.18 2pw9 h THR 198 CO 0.57 0.00 0.18 -0.83 -0.25 0.00 0.00 175.52 175.18 2pw9 s GLY 199 N -3.78 1.63 0.51 5.82 0.00 -1.26 -4.51 107.32 105.73 2pw9 s GLY 199 Ca 0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 2pw9 s GLY 199 CO 0.58 -0.16 1.11 0.50 0.00 0.00 0.00 173.10 175.13 2pw9 s ARG 200 N -4.64 3.58 -1.20 2.90 0.52 -1.26 -4.63 118.95 114.23 2pw9 s ARG 200 Ca 0.50 1.56 -0.08 0.00 -0.52 0.00 0.00 55.73 57.19 2pw9 s ARG 200 Cb -0.10 -2.12 0.22 0.00 0.52 0.00 0.00 34.95 33.47 2pw9 s ARG 200 CO 0.44 -0.65 1.67 1.28 0.02 0.00 0.00 175.30 178.06 2pw9 n LEU 201 N -1.02 6.41 0.00 2.53 4.77 0.54 -4.85 117.00 125.37 2pw9 n LEU 201 Ca 0.10 -4.84 -0.25 0.00 -0.03 0.00 0.00 56.01 50.99 2pw9 n LEU 201 Cb 0.51 -1.42 0.19 0.00 -2.33 0.00 0.00 43.42 40.37 2pw9 n LEU 201 CO 0.42 1.43 0.67 0.35 -1.33 0.00 0.00 177.39 178.93 2pw9 n THR 202 N 2.74 0.00 -0.23 -5.08 -2.24 -1.26 -2.11 114.28 106.10 2pw9 n THR 202 Ca 0.34 -0.69 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 2pw9 n THR 202 Cb 0.36 -1.44 0.15 0.00 -2.10 0.00 0.00 70.33 67.30 2pw9 n THR 202 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2pw9 h SER 203 N -1.85 0.15 -0.35 3.42 4.64 -1.91 -2.91 113.55 114.74 2pw9 h SER 203 Ca -0.36 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2pw9 h SER 203 Cb 1.04 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2pw9 h SER 203 CO 0.25 0.06 -0.11 -0.78 -0.87 0.00 0.00 176.83 175.38 2pw9 h ASP 204 N 0.36 0.70 0.01 4.97 1.82 -1.97 -1.69 116.42 120.62 2pw9 h ASP 204 Ca 0.37 -0.37 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2pw9 h ASP 204 Cb 0.57 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2pw9 h ASP 204 CO -0.41 0.91 -0.06 0.24 -1.61 0.00 0.00 179.24 178.31 2pw9 h MET 205 N 0.48 -0.11 -0.44 0.28 2.86 -1.85 -1.79 114.93 114.36 2pw9 h MET 205 Ca 0.09 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 2pw9 h MET 205 Cb 0.62 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2pw9 h MET 205 CO 0.04 -0.07 -0.27 0.28 1.06 0.00 0.00 176.91 177.95 2pw9 h VAL 206 N -0.11 1.27 -0.39 -2.22 2.07 -1.58 -2.95 116.25 112.34 2pw9 h VAL 206 Ca 0.02 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 2pw9 h VAL 206 Cb 0.14 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2pw9 h VAL 206 CO -0.06 0.49 0.05 0.25 0.02 0.00 0.00 177.57 178.32 2pw9 h LEU 207 N 0.81 0.62 0.10 2.57 5.85 -1.10 -1.46 115.31 122.70 2pw9 h LEU 207 Ca 0.09 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2pw9 h LEU 207 Cb 0.84 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2pw9 h LEU 207 CO 0.07 0.74 -0.13 0.11 -0.34 0.00 0.00 178.44 178.90 2pw9 h LYS 208 N 0.49 -0.25 -0.61 1.25 1.57 -1.29 -0.40 116.57 117.32 2pw9 h LYS 208 Ca 0.12 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2pw9 h LYS 208 Cb 0.39 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2pw9 h LYS 208 CO 0.01 -0.17 0.28 0.00 -0.57 0.00 0.00 179.45 179.00 2pw9 h ALA 210 N 1.45 0.40 -0.35 0.00 0.00 -1.07 -0.07 119.26 119.62 2pw9 h ALA 210 Ca 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pw9 h ALA 210 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2pw9 h ALA 210 CO -0.03 0.38 0.21 0.00 0.00 0.00 0.00 179.25 179.81 2pw9 h ARG 211 N 0.38 0.47 0.00 0.00 2.47 -0.86 -0.53 114.38 116.31 2pw9 h ARG 211 Ca 0.05 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2pw9 h ARG 211 Cb 0.80 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2pw9 h ARG 211 CO 0.06 0.33 -0.29 1.51 0.56 0.00 0.00 179.97 182.14 2pw9 n ILE 212 N -4.47 0.03 -0.21 2.04 3.06 -1.06 -4.96 119.36 113.78 2pw9 n ILE 212 Ca 0.02 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2pw9 n ILE 212 Cb 0.08 -0.09 0.00 0.00 0.54 0.00 0.00 39.64 40.16 2pw9 n ILE 212 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2pw9 n GLY 213 N 1.49 0.88 3.68 4.50 0.00 -0.21 -4.88 105.19 110.66 2pw9 n GLY 213 Ca 0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2pw9 n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pw9 s ILE 214 N -2.00 3.47 -0.54 -0.61 1.01 -0.07 -0.77 121.20 121.68 2pw9 s ILE 214 Ca 0.00 0.75 0.24 0.00 0.00 0.00 0.00 60.65 61.64 2pw9 s ILE 214 Cb 0.00 -3.48 0.06 0.00 0.01 0.00 0.00 42.46 39.05 2pw9 s ILE 214 CO 0.00 -0.03 1.30 1.55 0.00 0.00 0.00 174.94 177.75 2pw9 h PRO 215 N 8.76 0.00 -4.57 2.79 0.13 -1.76 -3.39 132.00 133.95 2pw9 h PRO 215 Ca -0.40 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.19 2pw9 h PRO 215 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2pw9 h PRO 215 CO 0.94 0.00 -0.82 0.42 -0.23 0.00 0.00 178.00 178.30 2pw9 s ILE 216 N -3.21 1.27 -0.22 -3.56 1.01 -1.26 -0.94 121.20 114.28 2pw9 s ILE 216 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2pw9 s ILE 216 Cb 0.12 -1.18 0.06 0.00 0.01 0.00 0.00 42.46 41.47 2pw9 s ILE 216 CO 0.73 0.39 -0.00 -0.63 0.00 0.00 0.00 174.94 175.43 2pw9 s ILE 217 N 1.00 1.04 0.02 2.92 1.01 -0.01 -1.32 121.20 125.85 2pw9 s ILE 217 Ca -0.07 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2pw9 s ILE 217 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2pw9 s ILE 217 CO -0.01 -0.18 -0.15 -0.04 0.00 0.00 0.00 174.94 174.56 2pw9 s MET 218 N 1.62 2.25 0.02 2.79 -1.94 0.16 -1.11 119.30 123.09 2pw9 s MET 218 Ca -0.03 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 2pw9 s MET 218 Cb -0.18 -2.29 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 2pw9 s MET 218 CO -0.08 0.57 -0.10 0.45 -0.01 0.00 0.00 175.02 175.85 2pw9 s SER 219 N -1.30 1.11 0.60 3.03 0.15 0.44 -0.95 113.70 116.77 2pw9 s SER 219 Ca 0.15 -0.32 0.35 0.00 0.70 0.00 0.00 55.95 56.82 2pw9 s SER 219 Cb -0.11 -0.07 1.92 0.00 -1.71 0.00 0.00 66.02 66.06 2pw9 s SER 219 CO 0.05 0.01 2.24 -0.09 1.20 0.00 0.00 173.24 176.65 2pw9 h ARG 220 N 5.34 0.00 0.00 5.44 2.43 -1.45 -0.80 114.38 125.35 2pw9 h ARG 220 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2pw9 h ARG 220 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2pw9 h ARG 220 CO 0.46 0.03 0.00 -2.37 -1.51 0.00 0.00 179.97 176.58 2pw9 n THR 221 N -3.49 0.00 -3.87 0.20 5.66 -1.26 -3.74 114.28 107.78 2pw9 n THR 221 Ca -0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.74 2pw9 n THR 221 Cb 0.13 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.88 2pw9 n THR 221 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2pw9 s SER 222 N 1.00 6.33 0.46 1.09 1.04 -1.26 -1.04 113.70 121.32 2pw9 s SER 222 Ca 0.00 0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.61 2pw9 s SER 222 Cb 0.00 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2pw9 s SER 222 CO 0.00 -0.05 0.69 -2.16 0.98 0.00 0.00 173.24 172.70 2pw9 s PRO 223 N -3.67 3.10 0.56 4.02 0.04 -1.26 -0.34 135.00 137.44 2pw9 s PRO 223 Ca 0.35 -0.40 0.09 0.00 0.04 0.00 0.00 61.00 61.08 2pw9 s PRO 223 Cb -0.10 -2.53 0.08 0.00 0.04 0.00 0.00 34.50 31.99 2pw9 s PRO 223 CO 0.29 -0.29 0.73 -1.54 0.04 0.00 0.00 177.00 176.24 2pw9 s SER 224 N -4.21 5.07 0.09 6.66 1.04 -0.89 -4.83 113.70 116.62 2pw9 s SER 224 Ca 0.48 -0.88 -0.18 0.00 0.48 0.00 0.00 55.95 55.86 2pw9 s SER 224 Cb -0.10 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.20 2pw9 s SER 224 CO 0.39 -1.28 1.52 0.77 0.98 0.00 0.00 173.24 175.62 2pw9 h SER 225 N 0.28 0.46 -0.60 7.02 4.64 -2.00 -2.40 113.55 120.95 2pw9 h SER 225 Ca -0.31 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 60.66 2pw9 h SER 225 Cb 1.29 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2pw9 h SER 225 CO 0.43 0.66 0.22 0.25 -0.87 0.00 0.00 176.83 177.53 2pw9 h LEU 226 N 0.24 0.83 -0.27 5.97 6.46 -1.96 0.64 115.31 127.22 2pw9 h LEU 226 Ca 0.07 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.71 2pw9 h LEU 226 Cb 0.43 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 2pw9 h LEU 226 CO 0.01 0.79 -0.09 1.23 -0.62 0.00 0.00 178.44 179.77 2pw9 h GLY 227 N 0.83 0.17 0.76 3.75 0.00 -1.70 0.83 103.07 107.71 2pw9 h GLY 227 Ca 0.20 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.65 2pw9 h GLY 227 CO -0.01 -0.12 -0.13 -2.00 0.00 0.00 0.00 176.54 174.28 2pw9 h LEU 228 N -0.03 -0.36 -1.38 3.11 5.85 -1.33 -0.95 115.31 120.22 2pw9 h LEU 228 Ca 0.14 0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.14 2pw9 h LEU 228 Cb 0.23 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 2pw9 h LEU 228 CO -0.30 -0.19 0.65 0.00 -0.34 0.00 0.00 178.44 178.26 2pw9 h ALA 229 N 0.64 2.19 0.07 1.25 0.00 -0.17 -0.94 119.26 122.30 2pw9 h ALA 229 Ca 0.02 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2pw9 h ALA 229 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2pw9 h ALA 229 CO -0.08 -0.56 -1.18 -0.07 0.00 0.00 0.00 179.25 177.36 2pw9 h LEU 230 N 0.42 0.23 -0.70 0.00 3.38 -0.07 -1.89 115.31 116.69 2pw9 h LEU 230 Ca 0.56 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2pw9 h LEU 230 Cb 1.37 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2pw9 h LEU 230 CO -0.26 1.20 0.30 0.00 0.09 0.00 0.00 178.44 179.77 2pw9 h ALA 231 N 0.76 0.90 0.06 1.53 0.00 -0.64 -0.94 119.26 120.94 2pw9 h ALA 231 Ca -0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pw9 h ALA 231 Cb 1.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2pw9 h ALA 231 CO 0.17 0.51 -0.03 0.87 0.00 0.00 0.00 179.25 180.76 2pw9 h LYS 232 N 0.99 -0.08 -0.31 0.00 1.57 -1.13 0.12 116.57 117.73 2pw9 h LYS 232 Ca 0.23 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2pw9 h LYS 232 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2pw9 h LYS 232 CO -0.02 0.04 0.20 0.00 -0.57 0.00 0.00 179.45 179.10 2pw9 h ARG 233 N -0.19 0.40 0.00 3.15 2.47 -1.32 -2.82 114.38 116.08 2pw9 h ARG 233 Ca -0.01 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2pw9 h ARG 233 Cb 0.16 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2pw9 h ARG 233 CO 0.01 0.27 -0.15 0.66 0.56 0.00 0.00 179.97 181.32 2pw9 h SER 234 N 0.41 0.00 0.00 7.04 4.64 -1.10 -3.47 113.55 121.07 2pw9 h SER 234 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2pw9 h SER 234 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2pw9 h SER 234 CO -0.03 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2pw9 n GLY 235 N 0.24 0.64 3.78 -0.77 0.00 0.18 -4.76 105.19 104.50 2pw9 n GLY 235 Ca 0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2pw9 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pw9 s ALA 236 N -2.00 3.09 -0.06 4.61 0.00 0.13 -4.86 121.76 122.67 2pw9 s ALA 236 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 2pw9 s ALA 236 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2pw9 s ALA 236 CO 0.00 -0.15 1.42 0.99 0.00 0.00 0.00 175.76 178.02 2pw9 s THR 237 N -1.70 3.86 -0.21 0.00 2.01 -0.12 -4.50 115.64 114.98 2pw9 s THR 237 Ca 0.58 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 2pw9 s THR 237 Cb -0.21 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2pw9 s THR 237 CO 0.26 -0.06 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.82 2pw9 s LEU 238 N 3.12 2.73 -0.18 4.42 2.96 -1.18 -0.83 118.68 129.73 2pw9 s LEU 238 Ca 0.63 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2pw9 s LEU 238 Cb -0.29 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2pw9 s LEU 238 CO 0.24 -0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 2pw9 s VAL 239 N 1.39 2.62 0.27 1.68 1.01 -0.26 -0.18 120.40 126.92 2pw9 s VAL 239 Ca 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.35 2pw9 s VAL 239 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2pw9 s VAL 239 CO -0.06 0.50 0.01 0.00 0.00 0.00 0.00 175.10 175.55 2pw9 s ALA 240 N 1.15 3.20 -1.50 5.51 0.00 0.48 -0.42 121.76 130.17 2pw9 s ALA 240 Ca 0.01 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 2pw9 s ALA 240 Cb -0.14 -0.76 0.09 0.00 0.00 0.00 0.00 23.12 22.31 2pw9 s ALA 240 CO -0.05 0.24 0.80 0.66 0.00 0.00 0.00 175.76 177.40 2pw9 n TYR 241 N -0.92 -2.05 -2.00 0.00 4.01 -0.21 -1.80 117.16 114.19 2pw9 n TYR 241 Ca -0.06 0.75 -0.42 0.00 -0.16 0.00 0.00 57.90 58.01 2pw9 n TYR 241 Cb 0.59 -3.54 -0.03 0.00 -0.31 0.00 0.00 39.34 36.05 2pw9 n TYR 241 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2pw9 s SER 242 N -3.10 6.66 0.19 7.72 0.01 -0.34 -4.50 113.70 120.33 2pw9 s SER 242 Ca 0.59 2.45 0.08 0.00 1.31 0.00 0.00 55.95 60.38 2pw9 s SER 242 Cb -0.31 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.31 2pw9 s SER 242 CO 0.73 -0.82 -0.15 -0.13 0.41 0.00 0.00 173.24 173.28 2pw9 s ARG 243 N 2.05 1.28 0.53 12.44 1.81 0.59 -4.61 118.95 133.06 2pw9 s ARG 243 Ca 0.70 -1.52 0.39 0.00 -1.72 0.00 0.00 55.73 53.59 2pw9 s ARG 243 Cb -0.39 -1.14 1.57 0.00 -0.45 0.00 0.00 34.95 34.54 2pw9 s ARG 243 CO 0.31 0.20 1.73 -1.35 -0.68 0.00 0.00 175.30 175.51 2pw9 h PRO 244 N 2.80 0.03 -0.15 3.54 0.11 -1.91 -2.76 132.00 133.65 2pw9 h PRO 244 Ca -0.39 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.52 2pw9 h PRO 244 Cb 1.21 -0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.93 2pw9 h PRO 244 CO 0.59 0.02 -1.05 0.39 -0.21 0.00 0.00 178.00 177.73 2pw9 n GLU 245 N -4.17 0.65 -3.62 1.05 1.02 -1.26 -2.74 120.64 111.57 2pw9 n GLU 245 Ca 0.31 -2.55 -0.04 0.00 -0.02 0.00 0.00 57.16 54.86 2pw9 n GLU 245 Cb 1.44 -0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 32.21 2pw9 n GLU 245 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2pw9 s ARG 246 N -1.38 0.55 0.03 3.49 3.52 -1.04 -5.16 118.95 118.96 2pw9 s ARG 246 Ca 0.32 1.07 0.02 0.00 -0.13 0.00 0.00 55.73 57.00 2pw9 s ARG 246 Cb 0.37 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 34.03 2pw9 s ARG 246 CO -0.12 -0.14 -0.06 0.96 -0.81 0.00 0.00 175.30 175.13 2pw9 s ILE 247 N 1.89 0.45 -0.38 4.11 -4.36 -1.26 -0.30 121.20 121.35 2pw9 s ILE 247 Ca -0.08 -0.86 -0.09 0.00 -0.26 0.00 0.00 60.65 59.37 2pw9 s ILE 247 Cb -0.06 -0.50 0.05 0.00 1.25 0.00 0.00 42.46 43.20 2pw9 s ILE 247 CO -0.18 -0.28 0.18 0.20 0.24 0.00 0.00 174.94 175.10 2pw9 s ASN 248 N -1.23 5.54 -0.31 4.36 -0.87 -0.75 -5.00 114.94 116.69 2pw9 s ASN 248 Ca -0.08 -1.22 -0.15 0.00 -1.57 0.00 0.00 52.86 49.84 2pw9 s ASN 248 Cb -0.08 -1.95 -0.02 0.00 -0.02 0.00 0.00 41.25 39.17 2pw9 s ASN 248 CO 0.00 -0.41 0.38 -0.69 -2.57 0.00 0.00 177.10 173.80 2pw9 s VAL 249 N 1.45 5.16 -0.85 1.60 1.01 -1.26 -0.39 120.40 127.12 2pw9 s VAL 249 Ca 0.01 0.32 0.23 0.00 0.00 0.00 0.00 61.98 62.54 2pw9 s VAL 249 Cb -0.21 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 2pw9 s VAL 249 CO 0.04 0.02 1.08 0.49 0.00 0.00 0.00 175.10 176.73 2pw9 n PHE 250 N 5.39 0.08 -3.56 5.22 3.72 0.75 -4.93 117.46 124.13 2pw9 n PHE 250 Ca -0.09 0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.18 2pw9 n PHE 250 Cb 0.50 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 2pw9 n PHE 250 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2pw9 s ASN 251 N -3.33 -0.66 -1.17 4.37 2.47 -1.22 -4.92 114.94 110.48 2pw9 s ASN 251 Ca 0.07 0.89 -0.30 0.00 0.42 0.00 0.00 52.86 53.95 2pw9 s ASN 251 Cb 0.16 0.77 0.03 0.00 -1.45 0.00 0.00 41.25 40.76 2pw9 s ASN 251 CO 0.80 -0.48 0.71 0.00 -3.72 0.00 0.00 177.10 174.41 2pw9 n ALA 252 N 1.40 -2.61 0.43 1.71 0.00 -1.26 -3.12 120.51 117.05 2pw9 n ALA 252 Ca -0.17 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 52.87 2pw9 n ALA 252 Cb 0.57 -2.93 0.34 0.00 0.00 0.00 0.00 19.45 17.42 2pw9 n ALA 252 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pw9 n PRO 253 N -4.69 0.05 0.25 0.00 -0.04 -1.26 -3.20 135.00 126.11 2pw9 n PRO 253 Ca -0.11 0.32 0.17 0.00 -0.04 0.00 0.00 63.50 63.84 2pw9 n PRO 253 Cb 0.58 -1.60 0.89 0.00 -0.04 0.00 0.00 33.50 33.32 2pw9 n PRO 253 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2pw9 h GLU 254 N 0.00 0.00 -0.00 0.54 9.09 -2.03 -2.16 114.58 120.02 2pw9 h GLU 254 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pw9 h GLU 254 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 2pw9 h GLU 254 CO 0.00 0.00 -0.10 0.54 0.05 0.00 0.00 179.01 179.50 2pw9 n ARG 255 N -2.68 0.68 -3.74 1.06 1.74 -1.19 -4.66 116.66 107.86 2pw9 n ARG 255 Ca -0.02 -0.21 -0.37 0.00 -0.77 0.00 0.00 57.85 56.48 2pw9 n ARG 255 Cb 0.07 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 2pw9 n ARG 255 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pw9 s ILE 256 N -2.47 4.84 -2.69 0.55 -1.09 -0.81 -0.52 121.20 119.02 2pw9 s ILE 256 Ca 0.29 0.00 0.27 0.00 -2.23 0.00 0.00 60.65 58.98 2pw9 s ILE 256 Cb 0.20 -3.26 0.42 0.00 -1.58 0.00 0.00 42.46 38.23 2pw9 s ILE 256 CO 0.47 0.34 1.56 0.18 -1.23 0.00 0.00 174.94 176.26