#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk0 s MET 1 N 0.00 2.71 -0.03 -0.72 -1.94 -1.26 -0.62 119.30 117.44 2pk0 s MET 1 Ca 0.00 -1.22 -0.29 0.00 -1.71 0.00 0.00 55.69 52.47 2pk0 s MET 1 Cb 0.00 -3.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.12 2pk0 s MET 1 CO 0.00 -0.78 0.92 -2.00 -0.01 0.00 0.00 175.02 173.16 2pk0 s GLU 2 N 1.48 4.51 -0.12 2.03 2.12 -0.11 -4.95 118.70 123.67 2pk0 s GLU 2 Ca 0.01 1.30 0.03 0.00 0.36 0.00 0.00 54.97 56.67 2pk0 s GLU 2 Cb -0.20 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 2pk0 s GLU 2 CO 0.04 -0.07 -0.21 0.42 -0.54 0.00 0.00 175.26 174.91 2pk0 s ILE 3 N 1.13 2.30 -0.10 -3.70 1.01 -1.26 -1.04 121.20 119.54 2pk0 s ILE 3 Ca 0.48 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2pk0 s ILE 3 Cb -0.20 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.37 2pk0 s ILE 3 CO 0.24 0.55 -0.19 -0.55 0.00 0.00 0.00 174.94 174.99 2pk0 s SER 4 N 0.49 2.62 -0.05 3.58 0.15 0.71 -4.99 113.70 116.21 2pk0 s SER 4 Ca -0.14 -0.47 0.05 0.00 0.70 0.00 0.00 55.95 56.10 2pk0 s SER 4 Cb -0.17 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.92 2pk0 s SER 4 CO 0.05 0.09 -0.21 -0.76 1.20 0.00 0.00 173.24 173.61 2pk0 s LEU 5 N 0.57 2.30 0.01 3.45 1.43 -1.26 0.24 118.68 125.42 2pk0 s LEU 5 Ca -0.15 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2pk0 s LEU 5 Cb -0.17 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2pk0 s LEU 5 CO 0.05 0.29 0.04 -0.22 0.23 0.00 0.00 176.35 176.74 2pk0 s LEU 6 N -0.39 1.92 0.05 1.79 2.96 -0.70 -5.03 118.68 119.29 2pk0 s LEU 6 Ca 0.04 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2pk0 s LEU 6 Cb -0.12 0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.86 2pk0 s LEU 6 CO 0.02 -0.28 -0.09 0.28 -1.32 0.00 0.00 176.35 174.96 2pk0 s THR 7 N -1.18 0.68 -0.12 3.68 -1.32 -1.26 -1.54 115.64 114.58 2pk0 s THR 7 Ca -0.13 -1.20 -0.11 0.00 -1.21 0.00 0.00 61.69 59.04 2pk0 s THR 7 Cb -0.08 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 70.15 2pk0 s THR 7 CO 0.00 -0.39 0.33 -0.62 -2.21 0.00 0.00 174.62 171.73 2pk0 s ASP 8 N -1.73 -0.33 0.47 8.08 2.15 0.26 -5.00 116.67 120.57 2pk0 s ASP 8 Ca -0.06 0.63 0.23 0.00 0.43 0.00 0.00 52.55 53.78 2pk0 s ASP 8 Cb -0.09 0.65 1.16 0.00 -0.30 0.00 0.00 42.92 44.34 2pk0 s ASP 8 CO 0.00 -0.13 1.95 -0.29 -0.17 0.00 0.00 175.17 176.54 2pk0 h ILE 9 N 4.60 0.70 0.00 4.11 2.10 -1.91 -0.96 117.51 126.15 2pk0 h ILE 9 Ca -0.26 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 64.82 2pk0 h ILE 9 Cb 1.19 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 38.45 2pk0 h ILE 9 CO 0.31 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 178.18 2pk0 n GLY 10 N -0.41 -1.86 0.04 8.18 0.00 -1.26 -3.69 105.19 106.19 2pk0 n GLY 10 Ca -0.01 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.60 2pk0 n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pk0 n GLN 11 N 0.00 0.55 -0.03 1.61 1.13 0.20 -4.76 117.38 116.08 2pk0 n GLN 11 Ca 0.00 -0.06 -0.05 0.00 -1.94 0.00 0.00 57.00 54.95 2pk0 n GLN 11 Cb 0.00 -1.62 -0.02 0.00 0.11 0.00 0.00 30.24 28.71 2pk0 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2pk0 n ARG 12 N -2.29 0.13 -0.74 -1.09 5.12 -1.20 -5.04 116.66 111.56 2pk0 n ARG 12 Ca -0.01 0.04 -0.31 0.00 -1.93 0.00 0.00 57.85 55.63 2pk0 n ARG 12 Cb 0.53 -0.94 0.16 0.00 -1.16 0.00 0.00 32.46 31.05 2pk0 n ARG 12 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2pk0 s ARG 13 N -2.11 1.07 0.06 5.56 1.81 -1.26 -4.96 118.95 119.12 2pk0 s ARG 13 Ca -0.08 1.58 0.15 0.00 -1.72 0.00 0.00 55.73 55.66 2pk0 s ARG 13 Cb 0.02 -1.73 -0.14 0.00 -0.45 0.00 0.00 34.95 32.65 2pk0 s ARG 13 CO 0.12 -2.60 0.89 0.77 -0.68 0.00 0.00 175.30 173.80 2pk0 h SER 14 N -1.77 0.00 -5.31 0.23 0.02 -1.97 -3.48 113.55 101.27 2pk0 h SER 14 Ca -0.43 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.42 2pk0 h SER 14 Cb 1.27 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.72 2pk0 h SER 14 CO 0.42 0.71 -0.19 0.54 -1.14 0.00 0.00 176.83 177.17 2pk0 s ASN 15 N -6.01 0.03 -0.42 3.07 4.22 -1.26 -5.12 114.94 109.45 2pk0 s ASN 15 Ca -0.02 -1.04 -0.23 0.00 -2.14 0.00 0.00 52.86 49.42 2pk0 s ASN 15 Cb 0.08 0.57 0.02 0.00 1.28 0.00 0.00 41.25 43.20 2pk0 s ASN 15 CO 0.81 -1.12 0.79 0.21 -2.04 0.00 0.00 177.10 175.74 2pk0 s ASN 16 N -3.06 6.46 0.00 3.54 3.84 -1.26 -4.87 114.94 119.59 2pk0 s ASN 16 Ca 0.25 0.05 0.23 0.00 0.21 0.00 0.00 52.86 53.60 2pk0 s ASN 16 Cb 0.00 -2.39 0.49 0.00 -0.55 0.00 0.00 41.25 38.80 2pk0 s ASN 16 CO 0.10 -0.85 1.44 0.00 -2.79 0.00 0.00 177.10 175.00 2pk0 n GLN 17 N 6.62 2.48 -2.59 0.43 6.02 -1.26 -4.75 117.38 124.33 2pk0 n GLN 17 Ca 0.03 -2.25 -0.30 0.00 -0.01 0.00 0.00 57.00 54.46 2pk0 n GLN 17 Cb 0.48 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 2pk0 n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pk0 s ASP 18 N -1.39 6.44 0.00 1.08 1.01 -1.26 -1.20 116.67 121.35 2pk0 s ASP 18 Ca 0.40 1.21 -0.03 0.00 0.71 0.00 0.00 52.55 54.84 2pk0 s ASP 18 Cb 0.23 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 2pk0 s ASP 18 CO 0.31 -0.54 0.05 0.12 0.21 0.00 0.00 175.17 175.33 2pk0 s PHE 19 N -2.61 0.09 -0.12 4.23 5.36 -0.40 -4.87 117.98 119.67 2pk0 s PHE 19 Ca 0.52 -0.19 -0.10 0.00 -0.96 0.00 0.00 56.93 56.21 2pk0 s PHE 19 Cb -0.10 -0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.53 2pk0 s PHE 19 CO 0.38 -0.17 0.31 -1.50 -1.46 0.00 0.00 175.22 172.77 2pk0 s ILE 20 N -0.97 -0.01 0.27 3.12 2.07 -1.26 -1.62 121.20 122.80 2pk0 s ILE 20 Ca -0.11 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.06 2pk0 s ILE 20 Cb -0.06 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.09 2pk0 s ILE 20 CO 0.00 0.01 0.48 0.21 -1.91 0.00 0.00 174.94 173.73 2pk0 s ASN 21 N 0.47 0.12 0.13 4.50 3.84 -1.03 -5.05 114.94 117.92 2pk0 s ASN 21 Ca -0.03 -1.07 0.08 0.00 0.21 0.00 0.00 52.86 52.05 2pk0 s ASN 21 Cb -0.04 0.61 -0.04 0.00 -0.55 0.00 0.00 41.25 41.23 2pk0 s ASN 21 CO -0.02 -1.19 -0.19 0.00 -2.79 0.00 0.00 177.10 172.91 2pk0 s GLN 22 N -3.74 1.16 0.26 0.43 -2.07 -1.26 -2.34 119.66 112.09 2pk0 s GLN 22 Ca 0.24 -1.25 0.02 0.00 -1.82 0.00 0.00 55.36 52.55 2pk0 s GLN 22 Cb -0.00 -1.30 -0.04 0.00 -1.09 0.00 0.00 33.01 30.57 2pk0 s GLN 22 CO 0.11 0.28 0.16 -0.06 -1.32 0.00 0.00 175.29 174.46 2pk0 s PHE 23 N -1.58 1.44 -0.13 9.60 0.40 0.24 -4.98 117.98 122.97 2pk0 s PHE 23 Ca 0.10 -1.39 -0.07 0.00 -0.60 0.00 0.00 56.93 54.96 2pk0 s PHE 23 Cb -0.08 -0.72 0.05 0.00 0.51 0.00 0.00 43.02 42.78 2pk0 s PHE 23 CO 0.05 -0.59 0.32 -2.00 0.70 0.00 0.00 175.22 173.69 2pk0 s GLU 24 N -3.93 0.29 0.62 0.44 2.12 -1.26 -1.61 118.70 115.36 2pk0 s GLU 24 Ca 0.38 0.63 -0.06 0.00 0.36 0.00 0.00 54.97 56.29 2pk0 s GLU 24 Cb 0.06 -0.07 0.13 0.00 0.26 0.00 0.00 34.13 34.51 2pk0 s GLU 24 CO 0.16 -0.16 0.84 0.27 -0.54 0.00 0.00 175.26 175.84 2pk0 n ASN 25 N 4.19 0.58 0.22 -1.70 6.94 -0.92 -4.34 115.26 120.23 2pk0 n ASN 25 Ca -0.24 -1.62 0.09 0.00 -0.02 0.00 0.00 54.58 52.80 2pk0 n ASN 25 Cb 0.54 -0.60 0.47 0.00 -2.36 0.00 0.00 39.78 37.84 2pk0 n ASN 25 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2pk0 h LYS 26 N 0.00 0.00 -0.00 -3.83 1.57 -1.31 -0.97 116.57 112.03 2pk0 h LYS 26 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2pk0 h LYS 26 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2pk0 h LYS 26 CO 0.24 0.24 -0.00 0.00 -0.57 0.00 0.00 179.45 179.36 2pk0 n ALA 27 N -2.25 2.66 -0.99 3.86 0.00 -1.25 -4.92 120.51 117.63 2pk0 n ALA 27 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2pk0 n ALA 27 Cb 0.42 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2pk0 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pk0 n GLY 28 N 1.04 0.50 3.62 0.00 0.00 -0.37 -5.01 105.19 104.98 2pk0 n GLY 28 Ca 0.23 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2pk0 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pk0 s VAL 29 N -2.00 4.95 0.59 1.61 1.01 -1.26 -4.77 120.40 120.53 2pk0 s VAL 29 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 2pk0 s VAL 29 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2pk0 s VAL 29 CO 0.00 -0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.03 2pk0 s PRO 30 N 2.58 3.17 -0.03 2.72 0.04 -1.26 -2.16 135.00 140.06 2pk0 s PRO 30 Ca 0.27 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 2pk0 s PRO 30 Cb -0.15 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2pk0 s PRO 30 CO 0.09 -0.97 0.04 -1.17 0.04 0.00 0.00 177.00 175.03 2pk0 s LEU 31 N -4.24 0.79 -0.20 -3.56 2.96 -0.64 -1.98 118.68 111.83 2pk0 s LEU 31 Ca 0.69 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 2pk0 s LEU 31 Cb -0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 2pk0 s LEU 31 CO 0.33 -0.16 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.56 2pk0 s ILE 32 N 1.42 3.90 -0.16 6.68 1.01 0.27 -0.59 121.20 133.73 2pk0 s ILE 32 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2pk0 s ILE 32 Cb -0.13 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.59 2pk0 s ILE 32 CO -0.03 0.44 -0.18 -0.63 0.00 0.00 0.00 174.94 174.54 2pk0 s ILE 33 N 0.95 2.40 0.05 2.92 1.01 -0.99 -0.69 121.20 126.85 2pk0 s ILE 33 Ca 0.01 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2pk0 s ILE 33 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2pk0 s ILE 33 CO 0.02 0.52 -0.26 -0.22 0.00 0.00 0.00 174.94 175.00 2pk0 s LEU 34 N 0.95 2.17 -0.18 2.97 0.20 -0.19 -2.45 118.68 122.14 2pk0 s LEU 34 Ca -0.03 -0.59 -0.12 0.00 0.69 0.00 0.00 54.13 54.08 2pk0 s LEU 34 Cb -0.15 -1.24 0.06 0.00 -0.43 0.00 0.00 46.19 44.42 2pk0 s LEU 34 CO -0.03 0.24 0.46 0.00 -0.29 0.00 0.00 176.35 176.73 2pk0 s ALA 35 N -0.81 -1.16 -0.43 5.97 0.00 -0.64 -1.28 121.76 123.40 2pk0 s ALA 35 Ca 0.11 1.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 2pk0 s ALA 35 Cb -0.10 -0.92 0.11 0.00 0.00 0.00 0.00 23.12 22.21 2pk0 s ALA 35 CO 0.02 -0.26 0.25 0.34 0.00 0.00 0.00 175.76 176.11 2pk0 s ASP 36 N 1.02 5.44 0.58 0.00 -1.08 -1.22 -1.27 116.67 120.14 2pk0 s ASP 36 Ca -0.06 -1.88 -0.14 0.00 -0.52 0.00 0.00 52.55 49.95 2pk0 s ASP 36 Cb -0.06 -1.91 -0.05 0.00 -1.46 0.00 0.00 42.92 39.44 2pk0 s ASP 36 CO -0.09 -0.58 1.01 -0.83 0.52 0.00 0.00 175.17 175.21 2pk0 s GLY 37 N 2.12 1.85 0.06 2.66 0.00 -0.34 -1.76 107.32 111.92 2pk0 s GLY 37 Ca 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.73 2pk0 s GLY 37 CO -0.02 0.33 0.23 -3.16 0.00 0.00 0.00 173.10 170.49 2pk0 s MET 38 N -4.65 0.80 0.00 2.90 0.23 0.86 -4.77 119.30 114.67 2pk0 s MET 38 Ca 0.57 -0.72 0.00 0.00 -1.03 0.00 0.00 55.69 54.51 2pk0 s MET 38 Cb -0.11 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 2pk0 s MET 38 CO 0.44 -0.25 0.00 0.41 -2.03 0.00 0.00 175.02 173.58 2pk0 n GLY 39 N 0.33 0.31 3.46 3.16 0.00 -1.23 -2.15 105.19 109.07 2pk0 n GLY 39 Ca -0.17 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.21 2pk0 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pk0 n GLY 40 N -0.35 -1.69 0.33 -0.02 0.00 -1.26 -4.33 105.19 97.87 2pk0 n GLY 40 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.42 2pk0 n GLY 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2pk0 h HIS 41 N -1.33 -0.36 0.00 1.61 -0.00 -1.97 -1.35 115.15 111.75 2pk0 h HIS 41 Ca -0.44 0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 59.98 2pk0 h HIS 41 Cb 1.29 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 2pk0 h HIS 41 CO 0.39 -0.39 -0.13 -0.09 -0.00 0.00 0.00 177.93 177.72 2pk0 h ARG 42 N 0.01 0.08 -0.41 2.45 2.43 -1.96 -3.28 114.38 113.70 2pk0 h ARG 42 Ca 0.47 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.60 2pk0 h ARG 42 Cb 0.78 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 2pk0 h ARG 42 CO -0.91 0.89 0.14 0.00 -1.51 0.00 0.00 179.97 178.58 2pk0 h ALA 43 N 0.19 0.48 -0.69 2.80 0.00 -1.62 -1.68 119.26 118.75 2pk0 h ALA 43 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pk0 h ALA 43 Cb 0.94 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2pk0 h ALA 43 CO 0.03 -0.26 0.40 0.78 0.00 0.00 0.00 179.25 180.20 2pk0 h GLY 44 N 0.29 1.01 1.00 0.00 0.00 -1.33 -0.65 103.07 103.40 2pk0 h GLY 44 Ca 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2pk0 h GLY 44 CO -0.20 0.43 0.18 -0.57 0.00 0.00 0.00 176.54 176.37 2pk0 h ASN 45 N 0.94 0.85 0.18 0.19 -1.24 -1.52 -2.82 115.58 112.16 2pk0 h ASN 45 Ca 0.24 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2pk0 h ASN 45 Cb 0.01 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.83 2pk0 h ASN 45 CO -0.04 0.84 -0.08 0.40 -1.29 0.00 0.00 177.43 177.25 2pk0 h ILE 46 N 0.82 0.89 -0.77 2.57 2.04 -1.11 -2.28 117.51 119.67 2pk0 h ILE 46 Ca 0.19 -0.33 0.15 0.00 1.00 0.00 0.00 64.86 65.87 2pk0 h ILE 46 Cb 0.29 1.09 -0.14 0.00 -0.74 0.00 0.00 36.82 37.32 2pk0 h ILE 46 CO -0.00 0.08 -0.25 0.00 0.00 0.00 0.00 178.15 177.97 2pk0 h ALA 47 N 0.40 0.37 -0.06 1.87 0.00 -1.02 0.33 119.26 121.15 2pk0 h ALA 47 Ca -0.02 0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2pk0 h ALA 47 Cb 0.31 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pk0 h ALA 47 CO 0.04 -0.48 -0.21 0.66 0.00 0.00 0.00 179.25 179.26 2pk0 h SER 48 N -0.04 0.28 -0.12 0.00 4.64 -1.49 -2.98 113.55 113.84 2pk0 h SER 48 Ca 0.35 -0.63 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 2pk0 h SER 48 Cb 0.58 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2pk0 h SER 48 CO -0.81 0.86 -0.43 -0.08 -0.87 0.00 0.00 176.83 175.51 2pk0 h GLU 49 N -0.29 0.67 0.00 4.77 4.81 -1.00 -1.86 114.58 121.69 2pk0 h GLU 49 Ca -0.01 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2pk0 h GLU 49 Cb 0.85 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2pk0 h GLU 49 CO 0.04 0.97 -0.00 1.98 -0.73 0.00 0.00 179.01 181.27 2pk0 h MET 50 N 0.54 -0.00 -0.16 1.92 4.05 -0.47 -1.96 114.93 118.85 2pk0 h MET 50 Ca 0.04 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2pk0 h MET 50 Cb 0.97 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.71 2pk0 h MET 50 CO 0.09 0.20 -0.19 1.15 0.23 0.00 0.00 176.91 178.38 2pk0 h THR 51 N -0.20 0.50 -0.82 -0.77 2.02 -1.44 0.62 112.91 112.82 2pk0 h THR 51 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2pk0 h THR 51 Cb 0.20 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2pk0 h THR 51 CO 0.00 0.00 0.40 0.58 0.37 0.00 0.00 175.52 176.87 2pk0 h VAL 52 N -0.23 1.25 0.00 3.16 2.07 -1.36 -2.43 116.25 118.72 2pk0 h VAL 52 Ca 0.11 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.74 2pk0 h VAL 52 Cb 0.39 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2pk0 h VAL 52 CO -0.30 0.30 -0.90 0.71 0.02 0.00 0.00 177.57 177.40 2pk0 h THR 53 N 1.17 1.62 -0.05 2.57 1.35 -1.11 -2.11 112.91 116.35 2pk0 h THR 53 Ca 0.28 -3.12 -0.04 0.00 -0.55 0.00 0.00 66.41 62.98 2pk0 h THR 53 Cb 0.11 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2pk0 h THR 53 CO -0.04 0.88 -0.12 0.44 -0.25 0.00 0.00 175.52 176.43 2pk0 h ASP 54 N 0.00 0.19 -0.79 5.36 3.32 -0.84 -2.11 116.42 121.55 2pk0 h ASP 54 Ca -0.01 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 2pk0 h ASP 54 Cb 1.63 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 41.09 2pk0 h ASP 54 CO 0.12 0.76 0.32 -0.07 -1.72 0.00 0.00 179.24 178.64 2pk0 h LEU 55 N -0.37 1.08 -0.55 1.55 4.07 -1.56 -2.07 115.31 117.46 2pk0 h LEU 55 Ca -0.00 -0.17 -0.15 0.00 0.08 0.00 0.00 57.88 57.64 2pk0 h LEU 55 Cb 0.73 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 2pk0 h LEU 55 CO 0.03 0.96 -0.72 1.23 -1.08 0.00 0.00 178.44 178.85 2pk0 h GLY 56 N 1.16 0.04 1.80 0.83 0.00 -1.43 -1.32 103.07 104.15 2pk0 h GLY 56 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2pk0 h GLY 56 CO -0.02 0.05 -0.51 1.48 0.00 0.00 0.00 176.54 177.54 2pk0 h SER 57 N 0.02 0.00 -0.04 0.19 4.64 -1.32 -3.01 113.55 114.04 2pk0 h SER 57 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2pk0 h SER 57 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2pk0 h SER 57 CO 0.10 0.33 -0.21 -0.78 -0.87 0.00 0.00 176.83 175.40 2pk0 h ASP 58 N 0.00 0.26 -0.58 4.97 1.82 -1.27 -3.32 116.42 118.30 2pk0 h ASP 58 Ca -0.02 -0.66 0.09 0.00 -0.39 0.00 0.00 57.03 56.05 2pk0 h ASP 58 Cb 1.27 -0.08 -0.07 0.00 0.68 0.00 0.00 39.33 41.14 2pk0 h ASP 58 CO 0.04 0.87 0.21 -0.25 -1.61 0.00 0.00 179.24 178.50 2pk0 h TRP 59 N -0.34 0.37 0.00 0.28 2.91 -1.33 -2.30 115.95 115.54 2pk0 h TRP 59 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2pk0 h TRP 59 Cb 0.87 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 2pk0 h TRP 59 CO 0.14 0.09 0.00 0.00 -1.03 0.00 0.00 178.44 177.65 2pk0 n ALA 60 N -2.46 1.22 0.71 2.65 0.00 -1.14 -0.61 120.51 120.88 2pk0 n ALA 60 Ca 0.08 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2pk0 n ALA 60 Cb 0.26 -1.28 0.18 0.00 0.00 0.00 0.00 19.45 18.61 2pk0 n ALA 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pk0 n GLU 61 N -2.08 0.20 -2.28 0.00 -0.58 -0.87 -3.88 120.64 111.15 2pk0 n GLU 61 Ca -0.00 0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.48 2pk0 n GLU 61 Cb 0.08 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 2pk0 n GLU 61 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2pk0 s THR 62 N -3.12 4.68 -0.20 2.62 -4.23 0.22 -4.80 115.64 110.81 2pk0 s THR 62 Ca 0.07 0.89 0.13 0.00 -1.18 0.00 0.00 61.69 61.60 2pk0 s THR 62 Cb 0.15 -3.80 0.44 0.00 1.34 0.00 0.00 72.50 70.63 2pk0 s THR 62 CO 0.72 -0.87 1.20 -0.90 -0.54 0.00 0.00 174.62 174.23 2pk0 n ASP 63 N -2.09 2.36 -4.80 3.99 5.68 -1.26 -1.31 116.55 119.13 2pk0 n ASP 63 Ca 0.05 -3.48 -0.37 0.00 -0.50 0.00 0.00 54.79 50.49 2pk0 n ASP 63 Cb 0.54 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.01 2pk0 n ASP 63 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2pk0 s PHE 64 N -2.89 3.70 0.00 2.11 2.99 -1.26 -4.70 117.98 117.93 2pk0 s PHE 64 Ca 0.40 1.57 0.00 0.00 0.00 0.00 0.00 56.93 58.89 2pk0 s PHE 64 Cb 0.38 -2.75 0.00 0.00 0.00 0.00 0.00 43.02 40.65 2pk0 s PHE 64 CO -0.06 0.31 0.19 -1.13 -0.00 0.00 0.00 175.22 174.54 2pk0 n SER 65 N 0.77 0.38 -4.75 1.36 3.41 -1.26 -4.70 113.62 108.83 2pk0 n SER 65 Ca -0.01 -0.84 -0.37 0.00 -0.26 0.00 0.00 58.87 57.39 2pk0 n SER 65 Cb 0.50 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2pk0 n SER 65 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pk0 s GLU 66 N -0.10 4.16 0.30 4.33 2.56 -1.26 -4.99 118.70 123.69 2pk0 s GLU 66 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.97 55.10 2pk0 s GLU 66 Cb 0.00 -3.39 0.75 0.00 2.00 0.00 0.00 34.13 33.49 2pk0 s GLU 66 CO 0.00 0.32 1.62 -0.07 -0.56 0.00 0.00 175.26 176.57 2pk0 h LEU 67 N 6.36 -0.16 -0.76 2.70 3.38 -1.99 -1.97 115.31 122.87 2pk0 h LEU 67 Ca -0.43 0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2pk0 h LEU 67 Cb 1.17 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2pk0 h LEU 67 CO 0.73 -0.24 -0.49 0.77 0.09 0.00 0.00 178.44 179.29 2pk0 h SER 68 N 0.12 0.34 1.68 -0.43 4.64 -1.98 -1.13 113.55 116.78 2pk0 h SER 68 Ca 0.58 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2pk0 h SER 68 Cb 1.20 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2pk0 h SER 68 CO -0.75 0.78 -0.32 1.05 -0.87 0.00 0.00 176.83 176.72 2pk0 h GLU 69 N 0.25 0.00 0.09 4.77 4.11 -1.79 -1.74 114.58 120.27 2pk0 h GLU 69 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 2pk0 h GLU 69 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2pk0 h GLU 69 CO 0.08 0.02 -0.04 0.82 0.07 0.00 0.00 179.01 179.96 2pk0 h ILE 70 N 0.00 1.15 -0.86 -1.06 2.04 -1.34 -2.21 117.51 115.23 2pk0 h ILE 70 Ca -0.00 -1.06 0.19 0.00 1.00 0.00 0.00 64.86 64.98 2pk0 h ILE 70 Cb 1.02 1.81 -0.11 0.00 -0.74 0.00 0.00 36.82 38.80 2pk0 h ILE 70 CO 0.00 0.25 0.38 -0.09 0.00 0.00 0.00 178.15 178.70 2pk0 h ARG 71 N -0.62 0.45 -0.84 2.37 2.43 -1.19 0.24 114.38 117.22 2pk0 h ARG 71 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2pk0 h ARG 71 Cb 0.51 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2pk0 h ARG 71 CO 0.02 0.30 0.39 -0.44 -1.51 0.00 0.00 179.97 178.72 2pk0 h ASP 72 N 0.46 1.11 -0.28 -3.80 3.32 -1.35 -2.96 116.42 112.92 2pk0 h ASP 72 Ca 0.51 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 57.25 2pk0 h ASP 72 Cb 0.88 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2pk0 h ASP 72 CO -0.47 0.94 -0.48 -0.25 -1.72 0.00 0.00 179.24 177.27 2pk0 h TRP 73 N 1.20 1.02 -0.81 4.55 7.01 0.08 -2.87 115.95 126.12 2pk0 h TRP 73 Ca 0.29 -0.35 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 2pk0 h TRP 73 Cb 0.14 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2pk0 h TRP 73 CO 0.02 1.16 0.49 0.52 -2.79 0.00 0.00 178.44 177.84 2pk0 h MET 74 N 0.58 1.09 -0.20 2.65 2.86 -1.26 -1.69 114.93 118.96 2pk0 h MET 74 Ca 0.02 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2pk0 h MET 74 Cb 1.08 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2pk0 h MET 74 CO 0.11 0.76 -0.32 -0.07 1.06 0.00 0.00 176.91 178.45 2pk0 h LEU 75 N 1.10 0.42 0.07 1.22 3.38 -1.33 -0.57 115.31 119.60 2pk0 h LEU 75 Ca 0.29 -0.15 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 2pk0 h LEU 75 Cb -0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2pk0 h LEU 75 CO -0.06 0.72 -1.65 -0.37 0.09 0.00 0.00 178.44 177.17 2pk0 h VAL 76 N 0.35 0.98 -0.11 1.22 -1.51 -1.46 -3.19 116.25 112.52 2pk0 h VAL 76 Ca 0.04 -2.71 -0.13 0.00 -1.23 0.00 0.00 66.70 62.67 2pk0 h VAL 76 Cb 0.74 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.48 2pk0 h VAL 76 CO 0.06 0.73 -0.50 0.28 -1.23 0.00 0.00 177.57 176.91 2pk0 h SER 77 N 0.04 0.32 -0.48 4.19 0.02 -1.28 -0.98 113.55 115.38 2pk0 h SER 77 Ca -0.28 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.40 2pk0 h SER 77 Cb 2.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 2pk0 h SER 77 CO 0.12 0.77 -0.16 0.40 -1.14 0.00 0.00 176.83 176.82 2pk0 h ILE 78 N 0.24 1.27 -0.22 3.27 2.04 -1.23 -2.58 117.51 120.29 2pk0 h ILE 78 Ca 0.01 -1.31 -0.17 0.00 1.00 0.00 0.00 64.86 64.39 2pk0 h ILE 78 Cb 0.96 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2pk0 h ILE 78 CO 0.08 0.45 -0.56 -0.08 0.00 0.00 0.00 178.15 178.04 2pk0 h GLU 79 N 0.81 0.68 -0.20 2.37 4.57 -1.49 -1.65 114.58 119.68 2pk0 h GLU 79 Ca 0.12 -0.44 -0.18 0.00 -1.18 0.00 0.00 59.36 57.68 2pk0 h GLU 79 Cb 0.72 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2pk0 h GLU 79 CO 0.06 1.06 -0.59 1.79 -1.18 0.00 0.00 179.01 180.14 2pk0 h THR 80 N 0.52 1.31 0.00 0.32 1.35 -1.21 -2.09 112.91 113.11 2pk0 h THR 80 Ca 0.01 -1.84 -0.04 0.00 -0.55 0.00 0.00 66.41 63.99 2pk0 h THR 80 Cb 1.13 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 2pk0 h THR 80 CO 0.11 0.58 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.69 2pk0 h GLU 81 N 0.48 0.00 -0.21 4.72 4.57 -1.45 -1.74 114.58 120.95 2pk0 h GLU 81 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 2pk0 h GLU 81 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2pk0 h GLU 81 CO 0.12 0.19 -0.49 -0.97 -1.18 0.00 0.00 179.01 176.67 2pk0 h ASN 82 N 0.00 0.80 0.87 1.04 -0.73 -0.92 -2.65 115.58 113.99 2pk0 h ASN 82 Ca -0.00 -0.56 -0.08 0.00 1.87 0.00 0.00 56.30 57.53 2pk0 h ASN 82 Cb 0.58 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 2pk0 h ASN 82 CO 0.02 1.22 -0.38 0.03 -0.37 0.00 0.00 177.43 177.95 2pk0 h ARG 83 N 0.43 0.00 -0.06 6.67 3.08 -1.08 -2.11 114.38 121.30 2pk0 h ARG 83 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2pk0 h ARG 83 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2pk0 h ARG 83 CO 0.11 0.38 -0.41 -0.22 -1.07 0.00 0.00 179.97 178.76 2pk0 h LYS 84 N 0.00 0.38 -0.04 0.04 3.64 -1.37 -3.03 116.57 116.20 2pk0 h LYS 84 Ca -0.00 -0.33 -0.19 0.00 -1.27 0.00 0.00 60.65 58.85 2pk0 h LYS 84 Cb 0.92 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2pk0 h LYS 84 CO 0.05 0.98 -0.80 0.82 -2.27 0.00 0.00 179.45 178.23 2pk0 h ILE 85 N -0.10 1.42 -0.42 2.00 2.04 -1.43 -2.87 117.51 118.14 2pk0 h ILE 85 Ca -0.03 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.49 2pk0 h ILE 85 Cb 1.07 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 2pk0 h ILE 85 CO 0.08 0.69 0.18 0.22 0.00 0.00 0.00 178.15 179.32 2pk0 h TYR 86 N 0.21 0.58 -0.22 1.37 3.20 -1.49 -2.44 116.97 118.18 2pk0 h TYR 86 Ca -0.04 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2pk0 h TYR 86 Cb 1.40 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2pk0 h TYR 86 CO 0.04 0.45 0.09 1.49 -1.64 0.00 0.00 178.16 178.60 2pk0 h GLU 87 N 0.59 0.33 0.00 1.82 4.57 -1.38 -1.57 114.58 118.94 2pk0 h GLU 87 Ca 0.15 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2pk0 h GLU 87 Cb 0.11 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2pk0 h GLU 87 CO -0.02 0.37 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.87 2pk0 h LEU 88 N 0.21 0.00 -1.79 1.64 3.38 -1.54 -3.21 115.31 114.01 2pk0 h LEU 88 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2pk0 h LEU 88 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pk0 h LEU 88 CO -0.01 0.24 -0.13 1.23 0.09 0.00 0.00 178.44 179.86 2pk0 h GLY 89 N 0.84 0.00 2.00 0.83 0.00 -0.78 -2.57 103.07 103.40 2pk0 h GLY 89 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2pk0 h GLY 89 CO 0.03 0.00 -0.56 0.06 0.00 0.00 0.00 176.54 176.07 2pk0 h GLN 90 N 0.00 0.00 -6.83 4.80 -0.00 -1.54 -3.37 115.11 108.17 2pk0 h GLN 90 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 2pk0 h GLN 90 Cb 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 27.77 2pk0 h GLN 90 CO 0.02 0.56 0.65 0.45 -0.00 0.00 0.00 178.83 180.50 2pk0 s SER 91 N -6.51 6.81 0.58 0.06 0.15 -0.97 -4.94 113.70 108.88 2pk0 s SER 91 Ca 0.02 2.61 0.37 0.00 0.70 0.00 0.00 55.95 59.65 2pk0 s SER 91 Cb 0.09 -2.64 1.66 0.00 -1.71 0.00 0.00 66.02 63.43 2pk0 s SER 91 CO 0.74 -0.53 2.09 0.44 1.20 0.00 0.00 173.24 177.18 2pk0 h ASP 92 N 3.95 0.00 0.57 5.45 3.32 -1.86 -1.18 116.42 126.67 2pk0 h ASP 92 Ca -0.48 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 2pk0 h ASP 92 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2pk0 h ASP 92 CO 0.69 0.01 -0.13 0.44 -1.72 0.00 0.00 179.24 178.52 2pk0 h ASP 93 N 0.00 0.00 -0.82 6.45 3.32 -1.92 -3.33 116.42 120.12 2pk0 h ASP 93 Ca -0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 2pk0 h ASP 93 Cb 0.37 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.51 2pk0 h ASP 93 CO 0.00 0.13 -0.96 -1.22 -1.72 0.00 0.00 179.24 175.47 2pk0 n TYR 94 N -3.48 2.14 -2.04 4.55 4.01 -0.45 -4.78 117.16 117.11 2pk0 n TYR 94 Ca -0.01 -2.45 -0.41 0.00 -0.16 0.00 0.00 57.90 54.87 2pk0 n TYR 94 Cb 0.29 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 2pk0 n TYR 94 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2pk0 s LYS 95 N -3.58 4.29 0.00 -0.72 1.02 -1.23 -3.29 119.74 116.24 2pk0 s LYS 95 Ca 0.39 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.66 2pk0 s LYS 95 Cb 0.39 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2pk0 s LYS 95 CO -0.03 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 2pk0 n GLY 96 N 1.44 0.47 3.72 -3.33 0.00 -1.26 -4.04 105.19 102.20 2pk0 n GLY 96 Ca 0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2pk0 n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pk0 s MET 97 N -0.47 4.64 0.05 1.61 0.00 -1.21 -3.51 119.30 120.41 2pk0 s MET 97 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 55.69 56.83 2pk0 s MET 97 Cb 0.00 -3.40 0.10 0.00 0.00 0.00 0.00 34.83 31.53 2pk0 s MET 97 CO 0.00 0.14 1.20 0.20 0.00 0.00 0.00 175.02 176.55 2pk0 s GLY 98 N 0.30 -0.21 0.01 2.11 0.00 -0.91 -4.76 107.32 103.86 2pk0 s GLY 98 Ca 0.48 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 45.28 2pk0 s GLY 98 CO 0.29 2.06 0.34 -1.08 0.00 0.00 0.00 173.10 174.70 2pk0 s THR 99 N -2.38 0.06 0.71 0.90 -1.32 -0.54 -0.10 115.64 112.97 2pk0 s THR 99 Ca 0.20 -0.51 -0.11 0.00 -1.21 0.00 0.00 61.69 60.06 2pk0 s THR 99 Cb 0.01 -0.77 0.02 0.00 -1.51 0.00 0.00 72.50 70.24 2pk0 s THR 99 CO -0.00 -0.28 1.08 0.42 -2.21 0.00 0.00 174.62 173.63 2pk0 s THR 100 N -1.81 3.68 0.00 5.08 -4.23 -0.72 -0.98 115.64 116.66 2pk0 s THR 100 Ca -0.10 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2pk0 s THR 100 Cb -0.03 -3.46 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 2pk0 s THR 100 CO 0.02 -0.71 -0.01 -0.51 -0.54 0.00 0.00 174.62 172.86 2pk0 s ILE 101 N -3.25 0.06 -0.19 2.99 1.10 -0.88 -3.40 121.20 117.64 2pk0 s ILE 101 Ca 0.58 -0.20 -0.04 0.00 -0.51 0.00 0.00 60.65 60.48 2pk0 s ILE 101 Cb -0.12 -0.09 0.06 0.00 0.15 0.00 0.00 42.46 42.46 2pk0 s ILE 101 CO 0.53 -0.09 0.08 -0.70 -2.11 0.00 0.00 174.94 172.65 2pk0 s GLU 102 N -0.30 0.25 -0.16 3.50 2.56 -0.41 -0.64 118.70 123.52 2pk0 s GLU 102 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.97 54.74 2pk0 s GLU 102 Cb -0.02 -1.88 0.02 0.00 2.00 0.00 0.00 34.13 34.24 2pk0 s GLU 102 CO -0.00 -0.68 -0.20 0.00 -0.56 0.00 0.00 175.26 173.81 2pk0 s ALA 103 N 2.05 2.23 -0.17 6.30 0.00 -0.65 -1.03 121.76 130.49 2pk0 s ALA 103 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2pk0 s ALA 103 Cb -0.16 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2pk0 s ALA 103 CO -0.10 -0.21 -0.09 0.08 0.00 0.00 0.00 175.76 175.43 2pk0 s VAL 104 N 1.10 1.39 0.06 0.00 1.01 0.14 -1.09 120.40 123.01 2pk0 s VAL 104 Ca -0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2pk0 s VAL 104 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2pk0 s VAL 104 CO -0.08 0.25 0.31 0.00 0.00 0.00 0.00 175.10 175.59 2pk0 s ALA 105 N 1.53 3.82 -0.24 5.51 0.00 -0.38 -0.57 121.76 131.43 2pk0 s ALA 105 Ca 0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 2pk0 s ALA 105 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2pk0 s ALA 105 CO -0.09 0.65 -0.10 0.42 0.00 0.00 0.00 175.76 176.65 2pk0 s ILE 106 N -1.41 2.59 -0.13 0.00 1.01 -0.84 -1.90 121.20 120.52 2pk0 s ILE 106 Ca 0.32 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 2pk0 s ILE 106 Cb -0.13 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.06 2pk0 s ILE 106 CO 0.19 0.22 -0.05 0.54 0.00 0.00 0.00 174.94 175.84 2pk0 s VAL 107 N 1.28 0.98 0.00 2.92 0.11 -0.46 -4.08 120.40 121.15 2pk0 s VAL 107 Ca -0.01 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 2pk0 s VAL 107 Cb -0.17 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 2pk0 s VAL 107 CO -0.06 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 2pk0 n GLY 108 N 4.94 1.45 1.77 6.54 0.00 -1.26 -2.02 105.19 116.61 2pk0 n GLY 108 Ca -0.12 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.41 2pk0 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pk0 n ASP 109 N 5.30 5.41 -4.25 1.61 8.00 -1.26 -4.94 116.55 126.42 2pk0 n ASP 109 Ca 0.00 -2.98 -0.29 0.00 0.71 0.00 0.00 54.79 52.23 2pk0 n ASP 109 Cb 0.00 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.27 2pk0 n ASP 109 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2pk0 s ASN 110 N -0.98 2.72 0.11 -2.24 0.01 -0.86 0.12 114.94 113.82 2pk0 s ASN 110 Ca 0.53 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.26 2pk0 s ASN 110 Cb 0.41 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.57 2pk0 s ASN 110 CO 0.15 0.26 0.25 0.27 -1.51 0.00 0.00 177.10 176.51 2pk0 s ILE 111 N -0.38 5.36 -0.05 0.60 -4.36 -1.00 -1.35 121.20 120.02 2pk0 s ILE 111 Ca 0.04 -0.54 0.04 0.00 -0.26 0.00 0.00 60.65 59.93 2pk0 s ILE 111 Cb -0.10 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 39.92 2pk0 s ILE 111 CO 0.01 0.02 -0.15 -0.51 0.24 0.00 0.00 174.94 174.54 2pk0 s ILE 112 N -1.63 1.30 0.06 8.37 2.07 -0.80 -2.17 121.20 128.40 2pk0 s ILE 112 Ca 0.35 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 2pk0 s ILE 112 Cb -0.12 -1.13 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 2pk0 s ILE 112 CO 0.28 0.38 -0.11 0.72 -1.91 0.00 0.00 174.94 174.30 2pk0 s PHE 113 N 0.17 0.95 -0.10 3.50 -0.12 -0.79 -1.25 117.98 120.34 2pk0 s PHE 113 Ca -0.06 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 2pk0 s PHE 113 Cb -0.12 -0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 41.71 2pk0 s PHE 113 CO 0.02 -0.01 -0.19 0.00 -0.05 0.00 0.00 175.22 174.99 2pk0 s ALA 114 N -1.32 2.40 -0.11 1.99 0.00 -0.25 -2.08 121.76 122.39 2pk0 s ALA 114 Ca -0.06 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2pk0 s ALA 114 Cb -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2pk0 s ALA 114 CO 0.01 0.34 -0.19 -1.58 0.00 0.00 0.00 175.76 174.34 2pk0 s HIS 115 N 0.10 2.25 -0.06 0.00 5.04 0.41 -1.63 115.29 121.39 2pk0 s HIS 115 Ca -0.09 -1.03 -0.01 0.00 -1.54 0.00 0.00 55.06 52.40 2pk0 s HIS 115 Cb -0.15 -1.56 0.03 0.00 0.04 0.00 0.00 32.58 30.93 2pk0 s HIS 115 CO 0.06 -0.48 0.01 0.08 -2.34 0.00 0.00 174.74 172.07 2pk0 s VAL 116 N 0.74 0.30 0.00 0.89 1.01 0.19 -1.35 120.40 122.17 2pk0 s VAL 116 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2pk0 s VAL 116 Cb -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2pk0 s VAL 116 CO 0.02 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2pk0 n GLY 117 N 5.02 0.84 0.12 4.51 0.00 -1.23 -2.07 105.19 112.39 2pk0 n GLY 117 Ca -0.09 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.26 2pk0 n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pk0 n ASP 118 N 0.00 2.13 -4.78 1.61 5.75 -1.26 0.49 116.55 120.49 2pk0 n ASP 118 Ca 0.00 -1.95 -0.29 0.00 -0.01 0.00 0.00 54.79 52.53 2pk0 n ASP 118 Cb 0.00 -0.04 0.12 0.00 -1.03 0.00 0.00 41.12 40.16 2pk0 n ASP 118 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2pk0 s SER 119 N -0.96 3.94 0.05 -1.12 0.01 -1.26 -4.30 113.70 110.05 2pk0 s SER 119 Ca 0.04 1.22 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2pk0 s SER 119 Cb 0.02 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2pk0 s SER 119 CO 0.03 -2.31 -0.08 -0.13 0.41 0.00 0.00 173.24 171.16 2pk0 s ARG 120 N -5.15 0.56 -0.06 12.44 0.52 0.99 -4.85 118.95 123.41 2pk0 s ARG 120 Ca 0.62 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 55.08 2pk0 s ARG 120 Cb -0.15 -0.32 -0.01 0.00 0.52 0.00 0.00 34.95 34.99 2pk0 s ARG 120 CO 0.54 0.06 -0.21 0.42 0.02 0.00 0.00 175.30 176.13 2pk0 s ILE 121 N -1.50 1.75 0.15 1.52 1.01 -1.26 -0.11 121.20 122.77 2pk0 s ILE 121 Ca -0.08 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 2pk0 s ILE 121 Cb -0.09 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2pk0 s ILE 121 CO 0.00 0.49 0.24 -0.83 0.00 0.00 0.00 174.94 174.85 2pk0 s GLY 122 N 0.01 0.52 -0.06 6.18 0.00 0.37 -1.34 107.32 113.00 2pk0 s GLY 122 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.74 2pk0 s GLY 122 CO 0.04 -0.91 -0.14 -0.42 0.00 0.00 0.00 173.10 171.67 2pk0 s ILE 123 N -3.97 1.22 -0.30 0.90 -1.09 -0.19 0.74 121.20 118.52 2pk0 s ILE 123 Ca 0.17 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 57.94 2pk0 s ILE 123 Cb 0.04 -1.09 -0.03 0.00 -1.58 0.00 0.00 42.46 39.80 2pk0 s ILE 123 CO -0.01 0.37 0.17 -0.69 -1.23 0.00 0.00 174.94 173.55 2pk0 s VAL 124 N 0.47 4.92 -0.01 2.92 1.01 0.18 -0.04 120.40 129.85 2pk0 s VAL 124 Ca -0.12 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2pk0 s VAL 124 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2pk0 s VAL 124 CO 0.03 0.16 -0.12 -0.60 0.00 0.00 0.00 175.10 174.57 2pk0 s ARG 125 N 1.68 1.02 6.13 2.72 3.52 -0.63 -1.43 118.95 131.97 2pk0 s ARG 125 Ca 0.06 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2pk0 s ARG 125 Cb -0.16 -0.98 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 2pk0 s ARG 125 CO 0.08 0.25 0.00 1.04 -0.81 0.00 0.00 175.30 175.87 2pk0 n GLN 126 N 2.83 0.00 -2.38 5.12 1.13 -1.26 -1.87 117.38 120.95 2pk0 n GLN 126 Ca -0.14 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.61 2pk0 n GLN 126 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.91 2pk0 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pk0 n GLY 127 N 0.00 5.86 3.07 1.08 0.00 -1.26 -4.99 105.19 108.94 2pk0 n GLY 127 Ca 0.00 -2.69 -0.12 0.00 0.00 0.00 0.00 46.02 43.20 2pk0 n GLY 127 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pk0 s GLU 128 N -3.70 0.22 -0.13 1.61 2.12 -0.78 -4.85 118.70 113.19 2pk0 s GLU 128 Ca 0.49 0.49 -0.19 0.00 0.36 0.00 0.00 54.97 56.12 2pk0 s GLU 128 Cb 0.39 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2pk0 s GLU 128 CO -0.24 -0.14 0.51 -0.47 -0.54 0.00 0.00 175.26 174.38 2pk0 s TYR 129 N 1.06 3.48 -0.18 5.30 5.04 -1.26 -1.61 117.35 129.18 2pk0 s TYR 129 Ca -0.08 0.90 -0.00 0.00 -2.44 0.00 0.00 57.07 55.45 2pk0 s TYR 129 Cb -0.09 -2.61 0.01 0.00 0.35 0.00 0.00 41.96 39.62 2pk0 s TYR 129 CO -0.07 0.09 -0.15 -1.01 -1.34 0.00 0.00 175.55 173.07 2pk0 s HIS 130 N 0.91 2.82 -0.18 4.97 3.76 0.94 -4.95 115.29 123.56 2pk0 s HIS 130 Ca 0.27 -1.32 -0.23 0.00 -0.15 0.00 0.00 55.06 53.62 2pk0 s HIS 130 Cb -0.15 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 2pk0 s HIS 130 CO 0.11 -0.66 0.73 -1.17 -0.85 0.00 0.00 174.74 172.90 2pk0 s LEU 131 N 1.21 4.16 0.00 0.89 2.96 -1.26 -1.02 118.68 125.62 2pk0 s LEU 131 Ca 0.02 1.00 0.23 0.00 -0.22 0.00 0.00 54.13 55.16 2pk0 s LEU 131 Cb -0.14 -3.06 0.09 0.00 0.50 0.00 0.00 46.19 43.58 2pk0 s LEU 131 CO -0.07 -0.34 1.13 0.18 -1.32 0.00 0.00 176.35 175.93 2pk0 n LEU 132 N 5.16 1.25 -4.36 -0.68 4.77 -0.45 -4.97 117.00 117.72 2pk0 n LEU 132 Ca 0.02 -0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 55.34 2pk0 n LEU 132 Cb 0.49 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2pk0 n LEU 132 CO 0.46 0.26 -0.40 0.42 -1.33 0.00 0.00 177.39 176.81 2pk0 s THR 133 N -2.77 1.56 -0.12 -5.08 -4.23 -1.25 -4.99 115.64 98.76 2pk0 s THR 133 Ca 0.14 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2pk0 s THR 133 Cb 0.17 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 2pk0 s THR 133 CO 0.70 -0.47 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.61 2pk0 s SER 134 N -3.35 3.85 0.03 3.99 0.15 -1.26 -4.96 113.70 112.16 2pk0 s SER 134 Ca 0.25 -0.37 -0.34 0.00 0.70 0.00 0.00 55.95 56.19 2pk0 s SER 134 Cb 0.02 -1.57 -0.13 0.00 -1.71 0.00 0.00 66.02 62.63 2pk0 s SER 134 CO 0.08 0.17 1.72 0.47 1.20 0.00 0.00 173.24 176.88 2pk0 n ASP 135 N 3.51 3.21 -3.78 5.45 9.92 -1.26 -4.89 116.55 128.71 2pk0 n ASP 135 Ca -0.18 1.03 -0.42 0.00 -0.53 0.00 0.00 54.79 54.69 2pk0 n ASP 135 Cb 0.53 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 2pk0 n ASP 135 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2pk0 n HIS 136 N 4.99 3.49 -4.24 1.24 8.25 0.18 -4.64 115.22 124.48 2pk0 n HIS 136 Ca 0.20 -2.95 -0.17 0.00 -0.26 0.00 0.00 57.72 54.54 2pk0 n HIS 136 Cb 0.29 -2.47 -0.11 0.00 1.12 0.00 0.00 29.99 28.82 2pk0 n HIS 136 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2pk0 s SER 137 N 2.87 1.97 0.12 0.41 1.04 -1.26 -0.72 113.70 118.13 2pk0 s SER 137 Ca 0.46 -0.85 -0.23 0.00 0.48 0.00 0.00 55.95 55.82 2pk0 s SER 137 Cb 0.13 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 2pk0 s SER 137 CO -0.07 -0.18 1.68 0.25 0.98 0.00 0.00 173.24 175.90 2pk0 h LEU 138 N 3.38 -0.41 -1.01 2.42 5.85 -1.47 -1.29 115.31 122.77 2pk0 h LEU 138 Ca -0.39 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 2pk0 h LEU 138 Cb 1.20 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2pk0 h LEU 138 CO 0.53 -0.18 -0.49 -0.37 -0.34 0.00 0.00 178.44 177.59 2pk0 h VAL 139 N -0.19 1.35 -0.27 1.05 -1.51 -1.80 -1.70 116.25 113.18 2pk0 h VAL 139 Ca 0.07 -1.67 -0.06 0.00 -1.23 0.00 0.00 66.70 63.81 2pk0 h VAL 139 Cb 0.29 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 2pk0 h VAL 139 CO -0.19 0.48 -0.08 -1.13 -1.23 0.00 0.00 177.57 175.42 2pk0 h ASN 140 N 0.01 0.54 -0.93 4.19 -1.24 -1.81 -0.60 115.58 115.73 2pk0 h ASN 140 Ca -0.00 -0.38 0.13 0.00 0.71 0.00 0.00 56.30 56.76 2pk0 h ASN 140 Cb 0.87 -0.15 -0.09 0.00 0.73 0.00 0.00 38.32 39.68 2pk0 h ASN 140 CO 0.06 0.79 0.56 -0.33 -1.29 0.00 0.00 177.43 177.22 2pk0 h GLU 141 N 0.28 0.83 -0.17 6.67 5.08 -1.08 -1.19 114.58 125.00 2pk0 h GLU 141 Ca 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2pk0 h GLU 141 Cb 0.57 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2pk0 h GLU 141 CO 0.03 0.55 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.29 2pk0 h LEU 142 N 0.86 0.29 -0.32 1.33 3.38 -0.91 -2.01 115.31 117.92 2pk0 h LEU 142 Ca 0.48 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.26 2pk0 h LEU 142 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2pk0 h LEU 142 CO -0.29 0.53 -0.21 0.58 0.09 0.00 0.00 178.44 179.14 2pk0 h VAL 143 N 0.27 1.29 0.00 1.22 2.07 -0.21 -1.06 116.25 119.83 2pk0 h VAL 143 Ca 0.05 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2pk0 h VAL 143 Cb 0.55 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2pk0 h VAL 143 CO 0.04 0.44 0.00 0.29 0.02 0.00 0.00 177.57 178.35 2pk0 n LYS 144 N -4.31 0.09 0.00 1.57 5.02 -0.54 -1.37 118.16 118.62 2pk0 n LYS 144 Ca -0.03 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2pk0 n LYS 144 Cb 0.42 -1.68 0.17 0.00 -0.02 0.00 0.00 35.03 33.93 2pk0 n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pk0 n ALA 145 N -1.63 3.33 -1.16 7.82 0.00 -0.78 -4.96 120.51 123.13 2pk0 n ALA 145 Ca 0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 2pk0 n ALA 145 Cb 0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2pk0 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pk0 n GLY 146 N 1.38 0.81 0.09 0.00 0.00 -0.47 -4.92 105.19 102.08 2pk0 n GLY 146 Ca 0.11 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2pk0 n GLY 146 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2pk0 h GLN 147 N 0.06 0.06 -5.25 1.61 5.75 -1.40 -3.47 115.11 112.46 2pk0 h GLN 147 Ca -0.12 -0.10 -0.42 0.00 -0.15 0.00 0.00 58.65 57.87 2pk0 h GLN 147 Cb 0.39 0.04 -0.23 0.00 1.07 0.00 0.00 27.48 28.75 2pk0 h GLN 147 CO 0.17 0.67 -0.78 -0.51 -2.65 0.00 0.00 178.83 175.72 2pk0 s LEU 148 N -6.32 2.22 0.72 -2.39 1.43 -1.04 -4.99 118.68 108.30 2pk0 s LEU 148 Ca -0.07 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2pk0 s LEU 148 Cb 0.08 -0.53 0.08 0.00 0.03 0.00 0.00 46.19 45.85 2pk0 s LEU 148 CO 0.82 -0.03 1.02 0.42 0.23 0.00 0.00 176.35 178.81 2pk0 s THR 149 N -1.04 2.27 0.21 5.49 -4.23 -1.26 -4.27 115.64 112.81 2pk0 s THR 149 Ca -0.01 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2pk0 s THR 149 Cb -0.09 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.85 2pk0 s THR 149 CO 0.02 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 175.38 2pk0 h GLU 150 N -0.62 0.73 -0.73 3.99 4.39 -1.98 -1.80 114.58 118.56 2pk0 h GLU 150 Ca -0.43 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 58.95 2pk0 h GLU 150 Cb 1.30 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 2pk0 h GLU 150 CO 0.54 0.92 0.44 1.49 -1.16 0.00 0.00 179.01 181.24 2pk0 h GLU 151 N 0.63 0.99 -0.03 2.33 4.81 -1.98 -1.22 114.58 120.09 2pk0 h GLU 151 Ca 0.08 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 2pk0 h GLU 151 Cb 0.79 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2pk0 h GLU 151 CO 0.07 0.70 -0.63 0.93 -0.73 0.00 0.00 179.01 179.35 2pk0 h GLU 152 N 0.99 0.13 0.00 1.92 5.08 -1.92 -3.01 114.58 117.77 2pk0 h GLU 152 Ca 0.26 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2pk0 h GLU 152 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2pk0 h GLU 152 CO -0.05 0.72 -0.47 0.00 -1.00 0.00 0.00 179.01 178.20 2pk0 h ALA 153 N 1.26 0.87 -0.00 3.43 0.00 -1.09 -2.49 119.26 121.23 2pk0 h ALA 153 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2pk0 h ALA 153 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pk0 h ALA 153 CO 0.09 0.59 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 2pk0 n ALA 154 N -2.30 2.65 -0.65 0.00 0.00 -0.48 -3.62 120.51 116.11 2pk0 n ALA 154 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.23 2pk0 n ALA 154 Cb 0.60 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2pk0 n ALA 154 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pk0 n SER 155 N -1.05 1.08 -4.76 0.00 3.41 -1.19 -5.06 113.62 106.05 2pk0 n SER 155 Ca 0.16 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 2pk0 n SER 155 Cb 0.25 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2pk0 n SER 155 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2pk0 s HIS 156 N -0.69 3.42 0.43 7.33 2.46 -0.95 -4.95 115.29 122.35 2pk0 s HIS 156 Ca 0.03 1.64 0.14 0.00 0.47 0.00 0.00 55.06 57.34 2pk0 s HIS 156 Cb 0.02 -3.32 1.02 0.00 -0.13 0.00 0.00 32.58 30.17 2pk0 s HIS 156 CO 0.00 -0.80 1.96 -1.35 -2.47 0.00 0.00 174.74 172.09 2pk0 h PRO 157 N 3.47 0.42 -0.88 2.88 0.11 -1.93 -2.66 132.00 133.42 2pk0 h PRO 157 Ca -0.47 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 2pk0 h PRO 157 Cb 1.22 -0.10 -0.18 0.00 0.11 0.00 0.00 31.00 32.05 2pk0 h PRO 157 CO 0.66 0.28 0.39 1.04 -0.21 0.00 0.00 178.00 180.16 2pk0 n GLN 158 N -4.47 2.91 0.30 1.05 6.02 -1.26 -4.66 117.38 117.27 2pk0 n GLN 158 Ca 0.11 -2.74 0.20 0.00 -0.01 0.00 0.00 57.00 54.57 2pk0 n GLN 158 Cb 0.40 -2.10 1.01 0.00 1.02 0.00 0.00 30.24 30.57 2pk0 n GLN 158 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2pk0 h LYS 159 N 1.79 0.00 -0.01 -1.09 2.10 -1.74 -2.62 116.57 115.00 2pk0 h LYS 159 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2pk0 h LYS 159 Cb 2.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.73 2pk0 h LYS 159 CO 0.81 0.00 -0.68 0.09 -2.00 0.00 0.00 179.45 177.67 2pk0 n ASN 160 N -3.00 1.48 -4.67 7.07 4.13 -1.26 -4.82 115.26 114.19 2pk0 n ASN 160 Ca -0.02 -1.21 -0.43 0.00 1.68 0.00 0.00 54.58 54.61 2pk0 n ASN 160 Cb 0.14 0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 39.02 2pk0 n ASN 160 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pk0 s ILE 161 N -2.72 4.35 0.41 2.41 -1.09 -0.99 -5.00 121.20 118.58 2pk0 s ILE 161 Ca 0.14 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 2pk0 s ILE 161 Cb 0.17 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2pk0 s ILE 161 CO 0.70 -0.11 0.59 0.27 -1.23 0.00 0.00 174.94 175.16 2pk0 s ILE 162 N 3.16 3.84 0.00 2.92 -4.36 -1.26 -1.27 121.20 124.23 2pk0 s ILE 162 Ca 0.53 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 60.18 2pk0 s ILE 162 Cb -0.21 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.12 2pk0 s ILE 162 CO 0.15 -0.21 0.19 0.35 0.24 0.00 0.00 174.94 175.65 2pk0 n THR 163 N -1.92 0.00 -3.73 8.37 -2.24 0.10 -4.74 114.28 110.13 2pk0 n THR 163 Ca 0.02 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.14 2pk0 n THR 163 Cb 0.58 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.66 2pk0 n THR 163 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pk0 s GLN 164 N -0.60 -0.05 0.01 -0.78 -1.52 -1.26 -5.05 119.66 110.42 2pk0 s GLN 164 Ca 0.00 0.28 -0.16 0.00 -1.95 0.00 0.00 55.36 53.53 2pk0 s GLN 164 Cb 0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 33.01 32.47 2pk0 s GLN 164 CO 0.00 -0.24 0.36 -1.54 -0.25 0.00 0.00 175.29 173.62 2pk0 s SER 165 N 1.54 -0.23 -0.13 5.90 1.04 -1.26 -3.57 113.70 116.99 2pk0 s SER 165 Ca -0.03 0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.15 2pk0 s SER 165 Cb -0.13 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2pk0 s SER 165 CO -0.03 -0.55 1.57 -0.63 0.98 0.00 0.00 173.24 174.59 2pk0 s ILE 166 N -1.86 3.74 0.00 -1.02 1.01 -0.15 -3.33 121.20 119.58 2pk0 s ILE 166 Ca -0.10 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2pk0 s ILE 166 Cb -0.03 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2pk0 s ILE 166 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.41 2pk0 n GLY 167 N 4.24 1.59 3.96 6.18 0.00 -1.24 -1.47 105.19 118.44 2pk0 n GLY 167 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2pk0 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pk0 s GLN 168 N 0.00 2.66 -0.07 1.61 -0.21 -1.21 -4.26 119.66 118.18 2pk0 s GLN 168 Ca 0.00 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 54.73 2pk0 s GLN 168 Cb 0.00 -2.43 -0.07 0.00 1.00 0.00 0.00 33.01 31.51 2pk0 s GLN 168 CO 0.00 -0.68 0.40 0.00 -2.12 0.00 0.00 175.29 172.89 2pk0 h ALA 169 N 0.02 -0.26 -2.32 6.09 0.00 -1.93 -3.44 119.26 117.42 2pk0 h ALA 169 Ca -0.44 -0.10 -0.49 0.00 0.00 0.00 0.00 54.91 53.88 2pk0 h ALA 169 Cb 1.28 0.10 0.06 0.00 0.00 0.00 0.00 17.79 19.23 2pk0 h ALA 169 CO 0.56 -0.25 0.38 -0.80 0.00 0.00 0.00 179.25 179.13 2pk0 s ASN 170 N -5.30 5.90 0.38 0.00 0.02 -1.26 -5.01 114.94 109.67 2pk0 s ASN 170 Ca -0.06 1.71 -0.27 0.00 -1.02 0.00 0.00 52.86 53.22 2pk0 s ASN 170 Cb 0.00 -2.52 -0.11 0.00 0.02 0.00 0.00 41.25 38.64 2pk0 s ASN 170 CO 0.19 -1.09 1.38 -2.65 0.02 0.00 0.00 177.10 174.95 2pk0 n PRO 171 N -2.17 2.32 -2.33 -0.60 -0.02 -1.26 -4.97 135.00 125.97 2pk0 n PRO 171 Ca 0.08 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 2pk0 n PRO 171 Cb 0.53 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2pk0 n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pk0 s VAL 172 N -1.13 3.27 -0.67 -1.45 1.01 -1.26 -5.03 120.40 115.14 2pk0 s VAL 172 Ca 0.56 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 2pk0 s VAL 172 Cb -0.51 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.27 2pk0 s VAL 172 CO 0.62 0.26 0.48 -1.61 0.00 0.00 0.00 175.10 174.85 2pk0 s GLU 173 N -1.17 2.61 0.78 2.72 2.02 -1.26 -4.99 118.70 119.41 2pk0 s GLU 173 Ca 0.48 -2.74 -0.12 0.00 0.02 0.00 0.00 54.97 52.62 2pk0 s GLU 173 Cb -0.35 -3.70 0.06 0.00 0.10 0.00 0.00 34.13 30.24 2pk0 s GLU 173 CO 0.43 -1.19 1.12 -1.25 0.02 0.00 0.00 175.26 174.39 2pk0 s PRO 174 N -0.43 2.25 -0.16 0.39 0.05 -1.26 -4.99 135.00 130.85 2pk0 s PRO 174 Ca 0.19 0.42 -0.06 0.00 0.05 0.00 0.00 61.00 61.60 2pk0 s PRO 174 Cb -0.18 -1.96 -0.04 0.00 0.05 0.00 0.00 34.50 32.38 2pk0 s PRO 174 CO -0.05 -1.45 0.06 -0.51 0.05 0.00 0.00 177.00 175.09 2pk0 s ASP 175 N -4.23 5.64 0.11 6.66 1.01 -0.46 -4.90 116.67 120.50 2pk0 s ASP 175 Ca 0.60 0.13 0.07 0.00 0.71 0.00 0.00 52.55 54.07 2pk0 s ASP 175 Cb -0.12 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2pk0 s ASP 175 CO 0.52 0.23 -0.11 -0.76 0.21 0.00 0.00 175.17 175.27 2pk0 s LEU 176 N 0.01 3.01 0.27 1.23 1.43 -1.26 -0.45 118.68 122.92 2pk0 s LEU 176 Ca 0.06 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 2pk0 s LEU 176 Cb -0.12 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2pk0 s LEU 176 CO 0.01 0.17 0.55 -0.83 0.23 0.00 0.00 176.35 176.48 2pk0 s GLY 177 N -2.23 0.48 0.02 -3.19 0.00 -0.88 -4.99 107.32 96.53 2pk0 s GLY 177 Ca 0.21 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2pk0 s GLY 177 CO 0.14 -0.53 -0.08 0.14 0.00 0.00 0.00 173.10 172.76 2pk0 s VAL 178 N -3.80 0.60 0.06 1.40 1.01 -1.26 -1.89 120.40 116.52 2pk0 s VAL 178 Ca 0.20 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2pk0 s VAL 178 Cb -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2pk0 s VAL 178 CO 0.10 -0.08 0.11 -2.28 0.00 0.00 0.00 175.10 172.94 2pk0 s HIS 179 N -0.72 0.24 -0.21 5.22 2.46 -0.92 -4.99 115.29 116.37 2pk0 s HIS 179 Ca -0.02 -0.64 -0.16 0.00 0.47 0.00 0.00 55.06 54.71 2pk0 s HIS 179 Cb -0.06 -0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.19 2pk0 s HIS 179 CO 0.00 -0.43 0.39 -1.17 -2.47 0.00 0.00 174.74 171.07 2pk0 s LEU 180 N -2.53 4.13 -0.17 8.88 2.96 -1.26 -2.38 118.68 128.31 2pk0 s LEU 180 Ca 0.01 0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 54.21 2pk0 s LEU 180 Cb 0.03 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2pk0 s LEU 180 CO -0.08 -0.09 0.48 -0.76 -1.32 0.00 0.00 176.35 174.58 2pk0 s LEU 181 N 1.44 4.19 0.36 -0.68 2.01 0.32 -5.01 118.68 121.31 2pk0 s LEU 181 Ca 0.18 0.69 0.07 0.00 0.01 0.00 0.00 54.13 55.09 2pk0 s LEU 181 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 46.19 43.37 2pk0 s LEU 181 CO 0.08 -0.10 0.41 -1.61 1.01 0.00 0.00 176.35 176.15 2pk0 s GLU 182 N 1.21 2.86 0.25 1.70 2.02 -1.26 -4.82 118.70 120.66 2pk0 s GLU 182 Ca 0.24 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 53.71 2pk0 s GLU 182 Cb -0.15 -2.64 -0.11 0.00 0.10 0.00 0.00 34.13 31.33 2pk0 s GLU 182 CO 0.09 -0.01 1.62 -1.21 0.02 0.00 0.00 175.26 175.77 2pk0 s GLU 183 N -4.14 4.14 0.00 1.61 2.02 -1.26 -2.88 118.70 118.20 2pk0 s GLU 183 Ca 0.46 2.55 0.00 0.00 0.02 0.00 0.00 54.97 57.99 2pk0 s GLU 183 Cb -0.07 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2pk0 s GLU 183 CO 0.29 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2pk0 n GLY 184 N 2.94 0.70 3.81 -1.39 0.00 -0.82 -4.96 105.19 105.47 2pk0 n GLY 184 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2pk0 n GLY 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pk0 s ASP 185 N -2.24 6.92 -0.19 1.61 1.01 -1.14 -4.83 116.67 117.81 2pk0 s ASP 185 Ca 0.00 1.79 -0.03 0.00 0.71 0.00 0.00 52.55 55.02 2pk0 s ASP 185 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2pk0 s ASP 185 CO 0.00 -0.37 -0.08 -0.31 0.21 0.00 0.00 175.17 174.62 2pk0 s TYR 186 N -1.99 2.91 -0.25 4.23 2.02 -0.51 -2.81 117.35 120.96 2pk0 s TYR 186 Ca 0.60 -0.88 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 2pk0 s TYR 186 Cb -0.13 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2pk0 s TYR 186 CO 0.18 -0.45 0.52 -1.17 -1.57 0.00 0.00 175.55 173.06 2pk0 s LEU 187 N 1.11 4.07 -0.40 -1.29 2.96 0.40 0.52 118.68 126.05 2pk0 s LEU 187 Ca 0.01 0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2pk0 s LEU 187 Cb -0.15 -2.69 0.06 0.00 0.50 0.00 0.00 46.19 43.92 2pk0 s LEU 187 CO -0.01 -0.28 0.23 -0.69 -1.32 0.00 0.00 176.35 174.28 2pk0 s VAL 188 N 2.21 4.25 -0.30 1.68 1.01 0.23 -1.59 120.40 127.88 2pk0 s VAL 188 Ca 0.22 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 2pk0 s VAL 188 Cb -0.16 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2pk0 s VAL 188 CO 0.09 -0.41 0.13 -0.69 0.00 0.00 0.00 175.10 174.22 2pk0 s VAL 189 N 1.45 4.42 0.01 2.92 1.01 -0.67 -0.48 120.40 129.07 2pk0 s VAL 189 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2pk0 s VAL 189 Cb -0.22 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2pk0 s VAL 189 CO 0.03 0.09 0.00 0.54 0.00 0.00 0.00 175.10 175.76 2pk0 s ASN 190 N 1.58 0.18 0.70 3.32 2.20 0.84 -0.43 114.94 123.34 2pk0 s ASN 190 Ca 0.04 -0.40 -0.11 0.00 -0.94 0.00 0.00 52.86 51.45 2pk0 s ASN 190 Cb -0.17 0.11 0.01 0.00 -2.00 0.00 0.00 41.25 39.20 2pk0 s ASN 190 CO 0.05 -0.28 1.09 -0.94 -2.94 0.00 0.00 177.10 174.07 2pk0 s SER 191 N -1.30 5.50 0.58 3.54 1.04 -0.47 -0.01 113.70 122.59 2pk0 s SER 191 Ca -0.14 1.20 0.33 0.00 0.48 0.00 0.00 55.95 57.82 2pk0 s SER 191 Cb -0.09 -2.04 1.77 0.00 0.10 0.00 0.00 66.02 65.77 2pk0 s SER 191 CO -0.00 -1.31 2.18 -2.24 0.98 0.00 0.00 173.24 172.84 2pk0 h ASP 192 N -0.63 0.00 -0.02 7.02 2.03 -1.85 -1.02 116.42 121.95 2pk0 h ASP 192 Ca -0.45 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 55.86 2pk0 h ASP 192 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2pk0 h ASP 192 CO 0.63 0.05 0.03 1.23 -1.03 0.00 0.00 179.24 180.15 2pk0 h GLY 193 N 0.63 0.00 0.08 7.15 0.00 -1.89 -0.14 103.07 108.90 2pk0 h GLY 193 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pk0 h GLY 193 CO 0.01 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.51 2pk0 h LEU 194 N 0.00 -0.09 0.00 3.11 5.85 -1.41 -3.37 115.31 119.40 2pk0 h LEU 194 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2pk0 h LEU 194 Cb 0.08 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2pk0 h LEU 194 CO -0.00 0.38 0.00 0.35 -0.34 0.00 0.00 178.44 178.83 2pk0 n THR 195 N -4.79 0.30 0.29 1.05 -2.24 -1.11 -1.28 114.28 106.50 2pk0 n THR 195 Ca -0.01 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 2pk0 n THR 195 Cb 0.04 -0.68 0.19 0.00 -2.10 0.00 0.00 70.33 67.78 2pk0 n THR 195 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2pk0 h ASN 196 N 0.00 0.00 0.00 3.42 2.35 -1.22 -3.36 115.58 116.77 2pk0 h ASN 196 Ca 0.00 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2pk0 h ASN 196 Cb 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2pk0 h ASN 196 CO 0.00 0.00 -1.82 0.23 -1.65 0.00 0.00 177.43 174.20 2pk0 n MET 197 N -2.87 1.36 -5.07 0.81 2.81 -0.63 -4.99 117.12 108.53 2pk0 n MET 197 Ca 0.04 -0.05 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 2pk0 n MET 197 Cb 0.51 -1.34 -0.14 0.00 -0.71 0.00 0.00 33.22 31.54 2pk0 n MET 197 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pk0 s LEU 198 N -4.63 2.39 0.89 4.03 1.02 -0.41 -4.87 118.68 117.10 2pk0 s LEU 198 Ca -0.06 -0.35 -0.13 0.00 0.02 0.00 0.00 54.13 53.61 2pk0 s LEU 198 Cb 0.06 -1.44 0.16 0.00 0.02 0.00 0.00 46.19 44.99 2pk0 s LEU 198 CO 0.56 0.33 1.24 -0.94 0.02 0.00 0.00 176.35 177.56 2pk0 s SER 199 N -0.74 3.57 0.10 2.29 1.04 -1.26 -4.52 113.70 114.19 2pk0 s SER 199 Ca 0.11 0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.72 2pk0 s SER 199 Cb -0.10 -0.47 -0.16 0.00 0.10 0.00 0.00 66.02 65.39 2pk0 s SER 199 CO 0.00 -2.44 1.26 0.78 0.98 0.00 0.00 173.24 173.83 2pk0 h ASN 200 N -1.36 0.79 -0.54 7.02 2.35 -1.99 -2.57 115.58 119.28 2pk0 h ASN 200 Ca -0.44 -0.60 0.06 0.00 -0.55 0.00 0.00 56.30 54.78 2pk0 h ASN 200 Cb 1.26 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 2pk0 h ASN 200 CO 0.44 1.40 0.23 0.00 -1.65 0.00 0.00 177.43 177.85 2pk0 h ALA 201 N 0.56 0.69 -0.59 -0.83 0.00 -1.96 -2.20 119.26 114.94 2pk0 h ALA 201 Ca -0.09 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pk0 h ALA 201 Cb 1.58 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2pk0 h ALA 201 CO 0.18 -0.14 0.24 -0.44 0.00 0.00 0.00 179.25 179.09 2pk0 h ASP 202 N 0.45 0.27 -0.59 0.00 3.32 -1.90 0.29 116.42 118.26 2pk0 h ASP 202 Ca 0.25 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2pk0 h ASP 202 Cb 0.23 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2pk0 h ASP 202 CO -0.22 0.17 0.27 0.40 -1.72 0.00 0.00 179.24 178.14 2pk0 h ILE 203 N 0.44 1.22 -0.26 0.35 2.04 -1.27 -2.74 117.51 117.28 2pk0 h ILE 203 Ca 0.29 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2pk0 h ILE 203 Cb 0.32 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2pk0 h ILE 203 CO -0.27 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.12 2pk0 h ALA 204 N 1.11 0.36 -0.73 1.87 0.00 -0.69 -2.39 119.26 118.79 2pk0 h ALA 204 Ca 0.20 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2pk0 h ALA 204 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2pk0 h ALA 204 CO -0.02 0.11 0.48 1.15 0.00 0.00 0.00 179.25 180.97 2pk0 h THR 205 N 0.25 0.90 -0.03 0.00 2.02 -0.41 -1.58 112.91 114.06 2pk0 h THR 205 Ca 0.07 -0.19 -0.22 0.00 0.77 0.00 0.00 66.41 66.84 2pk0 h THR 205 Cb 0.45 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2pk0 h THR 205 CO 0.02 0.10 -0.88 0.58 0.37 0.00 0.00 175.52 175.71 2pk0 h VAL 206 N 0.57 1.39 0.00 3.16 2.07 -1.34 -3.32 116.25 118.77 2pk0 h VAL 206 Ca 0.34 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2pk0 h VAL 206 Cb 0.56 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2pk0 h VAL 206 CO -0.12 0.70 -0.31 0.18 0.02 0.00 0.00 177.57 178.04 2pk0 n LEU 207 N -3.78 0.71 -0.47 2.57 4.77 -0.67 -3.21 117.00 116.91 2pk0 n LEU 207 Ca -0.06 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 2pk0 n LEU 207 Cb 0.80 -0.26 0.53 0.00 -2.33 0.00 0.00 43.42 42.15 2pk0 n LEU 207 CO 0.51 -0.10 0.87 0.35 -1.33 0.00 0.00 177.39 177.69 2pk0 n THR 208 N -2.12 0.02 -0.96 -5.08 -2.24 -0.74 -4.91 114.28 98.25 2pk0 n THR 208 Ca 0.05 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 2pk0 n THR 208 Cb 0.43 0.46 0.13 0.00 -2.10 0.00 0.00 70.33 69.24 2pk0 n THR 208 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pk0 s GLN 209 N -1.98 1.60 -0.65 -0.78 -0.21 -1.20 -4.99 119.66 111.45 2pk0 s GLN 209 Ca 0.38 1.37 -0.17 0.00 0.02 0.00 0.00 55.36 56.96 2pk0 s GLN 209 Cb 0.21 -1.81 0.13 0.00 1.00 0.00 0.00 33.01 32.54 2pk0 s GLN 209 CO 0.33 -2.17 0.70 -2.00 -2.12 0.00 0.00 175.29 170.03 2pk0 s GLU 210 N -4.77 3.17 0.21 2.91 2.12 -1.26 -4.98 118.70 116.10 2pk0 s GLU 210 Ca 0.64 -1.64 -0.22 0.00 0.36 0.00 0.00 54.97 54.11 2pk0 s GLU 210 Cb -0.20 -4.36 0.07 0.00 0.26 0.00 0.00 34.13 29.90 2pk0 s GLU 210 CO 0.57 -1.47 0.96 -1.59 -0.54 0.00 0.00 175.26 173.19 2pk0 s LYS 211 N 2.01 1.43 0.99 4.30 -2.85 -1.26 -5.16 119.74 119.20 2pk0 s LYS 211 Ca 0.12 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 54.10 2pk0 s LYS 211 Cb -0.22 0.43 0.19 0.00 -2.06 0.00 0.00 37.83 36.17 2pk0 s LYS 211 CO 0.02 -0.66 1.09 0.95 0.10 0.00 0.00 175.35 176.84 2pk0 s THR 212 N -2.66 2.17 0.11 3.79 -4.23 -1.26 -4.88 115.64 108.67 2pk0 s THR 212 Ca 0.17 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.61 2pk0 s THR 212 Cb -0.03 -2.51 -0.15 0.00 1.34 0.00 0.00 72.50 71.15 2pk0 s THR 212 CO 0.05 -0.07 1.32 0.25 -0.54 0.00 0.00 174.62 175.63 2pk0 h LEU 213 N -1.89 0.96 -0.76 4.79 5.85 -2.01 -2.49 115.31 119.77 2pk0 h LEU 213 Ca -0.54 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 57.54 2pk0 h LEU 213 Cb 1.32 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2pk0 h LEU 213 CO 0.56 1.41 0.37 0.44 -0.34 0.00 0.00 178.44 180.89 2pk0 h ASP 214 N 0.57 0.98 -0.02 1.25 3.32 -1.96 -1.21 116.42 119.35 2pk0 h ASP 214 Ca -0.04 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2pk0 h ASP 214 Cb 1.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2pk0 h ASP 214 CO 0.16 0.83 -0.20 0.44 -1.72 0.00 0.00 179.24 178.75 2pk0 h ASP 215 N 1.06 0.38 -0.09 6.45 5.19 -1.94 -1.54 116.42 125.93 2pk0 h ASP 215 Ca 0.26 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 56.44 2pk0 h ASP 215 Cb 0.10 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2pk0 h ASP 215 CO -0.03 0.59 -0.36 0.11 -3.12 0.00 0.00 179.24 176.43 2pk0 h LYS 216 N 0.35 0.60 -0.40 3.56 1.57 -1.12 -1.62 116.57 119.51 2pk0 h LYS 216 Ca 0.06 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 2pk0 h LYS 216 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2pk0 h LYS 216 CO 0.04 0.87 -0.34 -0.97 -0.57 0.00 0.00 179.45 178.48 2pk0 h ASN 217 N 0.50 0.98 -0.62 0.86 -0.73 -0.67 -2.17 115.58 113.73 2pk0 h ASN 217 Ca 0.05 -0.45 -0.06 0.00 1.87 0.00 0.00 56.30 57.71 2pk0 h ASN 217 Cb 0.86 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 2pk0 h ASN 217 CO 0.07 1.23 0.15 -0.61 -0.37 0.00 0.00 177.43 177.90 2pk0 h GLN 218 N 0.75 1.02 -0.58 6.67 5.75 -1.28 -2.62 115.11 124.81 2pk0 h GLN 218 Ca 0.07 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 2pk0 h GLN 218 Cb 0.93 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2pk0 h GLN 218 CO 0.09 0.91 0.22 -0.44 -2.65 0.00 0.00 178.83 176.95 2pk0 h ASP 219 N 0.97 0.78 -0.16 -0.69 3.32 -1.11 -1.03 116.42 118.51 2pk0 h ASP 219 Ca 0.20 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2pk0 h ASP 219 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2pk0 h ASP 219 CO 0.00 0.72 0.06 -0.07 -1.72 0.00 0.00 179.24 178.23 2pk0 h LEU 220 N 0.84 0.21 -0.43 1.55 3.38 -1.13 -1.94 115.31 117.80 2pk0 h LEU 220 Ca 0.20 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2pk0 h LEU 220 Cb 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2pk0 h LEU 220 CO -0.02 0.32 -0.77 0.16 0.09 0.00 0.00 178.44 178.22 2pk0 h ILE 221 N 0.10 1.54 -0.41 1.22 -0.00 -1.20 -0.91 117.51 117.84 2pk0 h ILE 221 Ca 0.05 -2.67 -0.01 0.00 -0.00 0.00 0.00 64.86 62.23 2pk0 h ILE 221 Cb 0.17 2.44 -0.02 0.00 -0.00 0.00 0.00 36.82 39.41 2pk0 h ILE 221 CO -0.00 0.76 0.20 0.74 -0.00 0.00 0.00 178.15 179.85 2pk0 h THR 222 N 0.00 1.17 -0.31 0.16 2.02 -1.21 0.11 112.91 114.86 2pk0 h THR 222 Ca -0.01 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2pk0 h THR 222 Cb 1.38 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2pk0 h THR 222 CO 0.10 0.19 0.01 0.25 0.37 0.00 0.00 175.52 176.44 2pk0 h LEU 223 N 0.53 0.52 -0.53 2.58 7.12 -1.13 0.43 115.31 124.83 2pk0 h LEU 223 Ca 0.14 -0.30 0.10 0.00 0.13 0.00 0.00 57.88 57.96 2pk0 h LEU 223 Cb 0.11 -0.14 -0.09 0.00 -0.53 0.00 0.00 40.66 40.01 2pk0 h LEU 223 CO -0.02 0.69 0.00 0.00 -0.13 0.00 0.00 178.44 178.99 2pk0 h ALA 224 N 0.85 0.50 -0.84 1.25 0.00 -1.07 0.32 119.26 120.26 2pk0 h ALA 224 Ca 0.09 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pk0 h ALA 224 Cb 0.42 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2pk0 h ALA 224 CO 0.01 -0.39 0.52 -0.91 0.00 0.00 0.00 179.25 178.49 2pk0 h ASN 225 N 0.12 1.00 0.33 0.00 2.35 -0.41 -0.06 115.58 118.90 2pk0 h ASN 225 Ca 0.27 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2pk0 h ASN 225 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2pk0 h ASN 225 CO -0.44 0.75 -0.42 -0.74 -1.65 0.00 0.00 177.43 174.93 2pk0 h HIS 226 N 1.15 0.15 0.00 1.19 2.76 0.14 -2.14 115.15 118.39 2pk0 h HIS 226 Ca 0.30 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2pk0 h HIS 226 Cb -0.07 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.85 2pk0 h HIS 226 CO -0.01 0.53 0.00 0.54 -1.30 0.00 0.00 177.93 177.70 2pk0 n ARG 227 N -4.02 0.46 0.00 5.26 5.12 0.97 -4.88 116.66 119.57 2pk0 n ARG 227 Ca -0.02 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2pk0 n ARG 227 Cb 0.47 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 2pk0 n ARG 227 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pk0 n GLY 228 N 1.08 4.25 2.98 -0.13 0.00 -0.81 -4.94 105.19 107.63 2pk0 n GLY 228 Ca 0.14 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 2pk0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pk0 n GLY 229 N 0.00 -0.17 0.13 -0.02 0.00 -0.05 -4.53 105.19 100.55 2pk0 n GLY 229 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2pk0 n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pk0 n LEU 230 N -3.68 0.64 -4.08 0.99 4.77 -1.26 -0.63 117.00 113.76 2pk0 n LEU 230 Ca -0.09 0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 2pk0 n LEU 230 Cb 0.58 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2pk0 n LEU 230 CO 0.48 -0.62 0.00 -0.62 -1.33 0.00 0.00 177.39 175.31 2pk0 s ASP 231 N -4.20 0.01 0.32 -1.43 3.68 -1.26 -4.48 116.67 109.32 2pk0 s ASP 231 Ca 0.03 -1.11 -0.29 0.00 2.13 0.00 0.00 52.55 53.31 2pk0 s ASP 231 Cb 0.09 0.50 -0.11 0.00 -1.45 0.00 0.00 42.92 41.94 2pk0 s ASP 231 CO 0.36 -1.01 1.56 0.20 0.13 0.00 0.00 175.17 176.41 2pk0 s ASN 232 N -3.07 6.36 -0.14 -0.34 0.02 -1.24 -4.31 114.94 112.22 2pk0 s ASN 232 Ca 0.29 2.99 0.02 0.00 -1.02 0.00 0.00 52.86 55.14 2pk0 s ASN 232 Cb 0.03 -2.65 0.01 0.00 0.02 0.00 0.00 41.25 38.66 2pk0 s ASN 232 CO 0.10 -0.90 -0.22 -0.63 0.02 0.00 0.00 177.10 175.47 2pk0 s ILE 233 N -0.41 2.13 -0.14 0.60 1.01 -0.37 -3.57 121.20 120.46 2pk0 s ILE 233 Ca 0.59 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 2pk0 s ILE 233 Cb -0.47 -1.85 0.07 0.00 0.01 0.00 0.00 42.46 40.22 2pk0 s ILE 233 CO 0.53 0.55 0.27 -0.89 0.00 0.00 0.00 174.94 175.40 2pk0 s THR 234 N 0.74 -0.43 -0.06 2.92 2.01 -1.26 -0.57 115.64 118.99 2pk0 s THR 234 Ca -0.09 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2pk0 s THR 234 Cb -0.16 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.90 2pk0 s THR 234 CO -0.00 0.09 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.30 2pk0 s VAL 235 N 2.43 0.55 -0.14 3.82 1.01 -0.59 -1.36 120.40 126.12 2pk0 s VAL 235 Ca 0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2pk0 s VAL 235 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2pk0 s VAL 235 CO -0.09 0.25 0.42 0.00 0.00 0.00 0.00 175.10 175.68 2pk0 s ALA 236 N 1.32 3.51 -0.09 5.51 0.00 0.43 -1.72 121.76 130.72 2pk0 s ALA 236 Ca -0.05 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2pk0 s ALA 236 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2pk0 s ALA 236 CO -0.02 0.01 -0.22 -0.51 0.00 0.00 0.00 175.76 175.02 2pk0 s LEU 237 N 0.62 2.25 -0.15 0.00 1.43 0.14 -1.66 118.68 121.29 2pk0 s LEU 237 Ca 0.23 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2pk0 s LEU 237 Cb -0.14 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2pk0 s LEU 237 CO 0.08 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 175.98 2pk0 s VAL 238 N 0.17 2.42 -0.12 -1.59 1.01 -0.62 -0.21 120.40 121.47 2pk0 s VAL 238 Ca -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2pk0 s VAL 238 Cb -0.16 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2pk0 s VAL 238 CO 0.07 0.53 -0.05 -0.47 0.00 0.00 0.00 175.10 175.18 2pk0 s TYR 239 N 0.88 3.01 -0.48 5.22 5.04 -0.21 -0.45 117.35 130.36 2pk0 s TYR 239 Ca -0.05 -0.15 -0.18 0.00 -2.44 0.00 0.00 57.07 54.25 2pk0 s TYR 239 Cb -0.15 -1.86 0.05 0.00 0.35 0.00 0.00 41.96 40.35 2pk0 s TYR 239 CO -0.02 0.13 0.56 0.08 -1.34 0.00 0.00 175.55 174.96 2pk0 s VAL 240 N -0.14 4.96 -0.32 3.14 1.01 -1.12 -0.93 120.40 126.99 2pk0 s VAL 240 Ca 0.03 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 2pk0 s VAL 240 Cb -0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2pk0 s VAL 240 CO 0.03 -0.69 2.12 -1.83 0.00 0.00 0.00 175.10 174.73 2pk0 s GLU 241 N 2.42 2.97 0.00 2.72 1.03 0.21 -1.95 118.70 126.10 2pk0 s GLU 241 Ca 0.14 1.67 0.30 0.00 0.03 0.00 0.00 54.97 57.10 2pk0 s GLU 241 Cb -0.19 -4.36 1.50 0.00 -0.80 0.00 0.00 34.13 30.27 2pk0 s GLU 241 CO 0.12 -2.29 2.00 0.45 -1.33 0.00 0.00 175.26 174.21