#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 2.34 -0.09 2.98 -1.94 -1.26 -0.85 119.30 120.48 2pk0 s MET 1 Ca 0.00 -1.42 -0.27 0.00 -1.71 0.00 0.00 55.69 52.29 2pk0 s MET 1 Cb 0.00 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 2pk0 s MET 1 CO 0.00 -0.77 0.87 -2.00 -0.01 0.00 0.00 175.02 173.10 2pk0 s GLU 2 N 1.25 4.41 -0.18 2.03 2.12 -0.44 -4.93 118.70 122.97 2pk0 s GLU 2 Ca -0.00 1.15 0.00 0.00 0.36 0.00 0.00 54.97 56.47 2pk0 s GLU 2 Cb -0.21 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2pk0 s GLU 2 CO -0.01 -0.17 -0.16 0.42 -0.54 0.00 0.00 175.26 174.80 2pk0 s ILE 3 N 1.54 2.42 -0.11 -3.70 1.01 -1.26 -1.08 121.20 120.02 2pk0 s ILE 3 Ca 0.43 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2pk0 s ILE 3 Cb -0.18 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2pk0 s ILE 3 CO 0.18 0.51 -0.12 -0.55 0.00 0.00 0.00 174.94 174.97 2pk0 s SER 4 N 1.22 4.15 -0.10 3.58 0.15 0.02 -4.98 113.70 117.75 2pk0 s SER 4 Ca 0.03 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.44 2pk0 s SER 4 Cb -0.14 -1.47 0.01 0.00 -1.71 0.00 0.00 66.02 62.71 2pk0 s SER 4 CO -0.08 0.21 -0.18 -0.76 1.20 0.00 0.00 173.24 173.63 2pk0 s LEU 5 N 0.08 1.85 -0.08 3.45 1.43 -1.26 -0.84 118.68 123.30 2pk0 s LEU 5 Ca -0.05 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 2pk0 s LEU 5 Cb -0.14 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.95 2pk0 s LEU 5 CO 0.04 0.07 0.24 -0.22 0.23 0.00 0.00 176.35 176.71 2pk0 s LEU 6 N 0.67 1.09 0.03 1.79 2.96 -0.70 -5.04 118.68 119.49 2pk0 s LEU 6 Ca -0.13 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 2pk0 s LEU 6 Cb -0.16 0.84 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 2pk0 s LEU 6 CO 0.03 -0.11 -0.09 0.28 -1.32 0.00 0.00 176.35 175.14 2pk0 s THR 7 N 0.02 0.71 -0.15 3.68 -1.32 -1.26 -1.29 115.64 116.02 2pk0 s THR 7 Ca -0.01 -0.89 -0.13 0.00 -1.21 0.00 0.00 61.69 59.45 2pk0 s THR 7 Cb -0.02 -0.69 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2pk0 s THR 7 CO 0.01 -0.16 0.39 -0.62 -2.21 0.00 0.00 174.62 172.02 2pk0 s ASP 8 N -1.17 -0.41 0.47 8.08 2.15 0.07 -5.01 116.67 120.84 2pk0 s ASP 8 Ca -0.04 0.79 0.21 0.00 0.43 0.00 0.00 52.55 53.94 2pk0 s ASP 8 Cb -0.08 0.79 1.15 0.00 -0.30 0.00 0.00 42.92 44.48 2pk0 s ASP 8 CO 0.01 -0.14 1.98 -0.29 -0.17 0.00 0.00 175.17 176.55 2pk0 h ILE 9 N 4.64 0.83 0.00 4.11 2.10 -1.91 -0.14 117.51 127.14 2pk0 h ILE 9 Ca -0.28 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 64.88 2pk0 h ILE 9 Cb 1.18 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.38 2pk0 h ILE 9 CO 0.27 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 178.14 2pk0 n GLY 10 N -0.61 -1.80 0.04 8.18 0.00 -1.26 -3.76 105.19 105.98 2pk0 n GLY 10 Ca -0.02 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.24 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 0.66 -0.01 1.61 1.13 0.14 -4.76 117.38 116.14 2pk0 n GLN 11 Ca 0.00 -0.13 -0.01 0.00 -1.94 0.00 0.00 57.00 54.91 2pk0 n GLN 11 Cb 0.00 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 28.79 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 -2.40 3.17 -2.39 -1.09 5.12 -1.14 -5.04 116.66 112.90 2pk0 n ARG 12 Ca -0.10 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.47 2pk0 n ARG 12 Cb 0.70 -1.07 -0.02 0.00 -1.16 0.00 0.00 32.46 30.91 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 -2.07 3.70 0.38 5.56 1.81 -1.26 -4.95 118.95 122.12 2pk0 s ARG 13 Ca -0.02 1.56 0.20 0.00 -1.72 0.00 0.00 55.73 55.75 2pk0 s ARG 13 Cb 0.01 -2.20 0.44 0.00 -0.45 0.00 0.00 34.95 32.75 2pk0 s ARG 13 CO 0.11 -0.55 1.62 0.77 -0.68 0.00 0.00 175.30 176.57 2pk0 h SER 14 N 1.69 0.00 -5.20 0.23 0.02 -1.97 -3.46 113.55 104.86 2pk0 h SER 14 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2pk0 h SER 14 Cb 1.24 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 2pk0 h SER 14 CO 0.59 0.28 -0.06 0.54 -1.14 0.00 0.00 176.83 177.03 2pk0 s ASN 15 N -6.28 -0.12 -0.37 3.07 4.22 -1.26 -5.12 114.94 109.07 2pk0 s ASN 15 Ca 0.04 -0.85 -0.23 0.00 -2.14 0.00 0.00 52.86 49.67 2pk0 s ASN 15 Cb 0.08 0.60 0.01 0.00 1.28 0.00 0.00 41.25 43.22 2pk0 s ASN 15 CO 0.69 -1.16 0.80 0.21 -2.04 0.00 0.00 177.10 175.60 2pk0 s ASN 16 N -2.99 6.55 0.00 3.54 3.84 -1.26 -4.90 114.94 119.72 2pk0 s ASN 16 Ca 0.20 0.34 0.23 0.00 0.21 0.00 0.00 52.86 53.84 2pk0 s ASN 16 Cb -0.01 -2.40 0.43 0.00 -0.55 0.00 0.00 41.25 38.72 2pk0 s ASN 16 CO 0.08 -0.76 1.41 0.00 -2.79 0.00 0.00 177.10 175.03 2pk0 n GLN 17 N 6.49 2.52 -2.03 0.43 6.02 -1.26 -4.74 117.38 124.82 2pk0 n GLN 17 Ca 0.03 -2.32 -0.30 0.00 -0.01 0.00 0.00 57.00 54.41 2pk0 n GLN 17 Cb 0.48 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.46 5.93 -0.04 1.08 1.01 -1.26 -1.03 116.67 120.90 2pk0 s ASP 18 Ca 0.39 1.19 -0.09 0.00 0.71 0.00 0.00 52.55 54.76 2pk0 s ASP 18 Cb 0.23 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.98 2pk0 s ASP 18 CO 0.32 -1.00 0.21 0.12 0.21 0.00 0.00 175.17 175.04 2pk0 s PHE 19 N -3.16 -0.14 -0.07 4.23 5.36 -0.02 -4.86 117.98 119.32 2pk0 s PHE 19 Ca 0.55 0.29 -0.07 0.00 -0.96 0.00 0.00 56.93 56.74 2pk0 s PHE 19 Cb -0.11 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.63 2pk0 s PHE 19 CO 0.51 -0.23 0.19 -1.50 -1.46 0.00 0.00 175.22 172.73 2pk0 s ILE 20 N -0.68 0.00 0.13 3.12 2.07 -1.26 -0.96 121.20 123.62 2pk0 s ILE 20 Ca -0.08 -0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 58.94 2pk0 s ILE 20 Cb -0.04 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.31 2pk0 s ILE 20 CO 0.02 -0.02 0.48 0.21 -1.91 0.00 0.00 174.94 173.72 2pk0 s ASN 21 N 0.03 -0.36 0.01 4.50 3.84 -1.05 -5.04 114.94 116.87 2pk0 s ASN 21 Ca -0.01 -0.15 0.04 0.00 0.21 0.00 0.00 52.86 52.95 2pk0 s ASN 21 Cb -0.02 0.51 -0.03 0.00 -0.55 0.00 0.00 41.25 41.17 2pk0 s ASN 21 CO 0.00 -0.87 -0.10 0.00 -2.79 0.00 0.00 177.10 173.34 2pk0 s GLN 22 N -3.61 2.44 0.25 0.43 -2.07 -1.26 -2.00 119.66 113.84 2pk0 s GLN 22 Ca 0.01 -0.78 0.01 0.00 -1.82 0.00 0.00 55.36 52.78 2pk0 s GLN 22 Cb 0.01 -2.42 -0.05 0.00 -1.09 0.00 0.00 33.01 29.46 2pk0 s GLN 22 CO -0.11 0.59 0.11 -0.06 -1.32 0.00 0.00 175.29 174.50 2pk0 s PHE 23 N -0.96 1.47 -0.12 9.60 0.40 0.43 -4.99 117.98 123.80 2pk0 s PHE 23 Ca 0.16 -1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 55.21 2pk0 s PHE 23 Cb -0.11 -0.84 0.05 0.00 0.51 0.00 0.00 43.02 42.64 2pk0 s PHE 23 CO 0.06 -0.40 0.28 -2.00 0.70 0.00 0.00 175.22 173.86 2pk0 s GLU 24 N -4.05 0.21 0.39 0.44 2.12 -1.26 -0.78 118.70 115.78 2pk0 s GLU 24 Ca 0.38 0.64 -0.06 0.00 0.36 0.00 0.00 54.97 56.29 2pk0 s GLU 24 Cb 0.08 -0.07 0.09 0.00 0.26 0.00 0.00 34.13 34.49 2pk0 s GLU 24 CO 0.14 -0.20 0.54 0.27 -0.54 0.00 0.00 175.26 175.46 2pk0 n ASN 25 N 4.61 0.07 -0.09 -1.70 6.94 -0.94 -4.49 115.26 119.66 2pk0 n ASN 25 Ca -0.19 -1.21 0.03 0.00 -0.02 0.00 0.00 54.58 53.20 2pk0 n ASN 25 Cb 0.52 -0.41 0.17 0.00 -2.36 0.00 0.00 39.78 37.70 2pk0 n ASN 25 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pk0 n LYS 26 N -2.13 1.12 -0.06 -3.83 5.02 -0.27 -2.14 118.16 115.87 2pk0 n LYS 26 Ca 0.07 -0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.21 2pk0 n LYS 26 Cb 0.24 -1.12 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 2pk0 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pk0 n ALA 27 N -0.43 2.25 -1.04 7.82 0.00 -1.26 -4.94 120.51 122.91 2pk0 n ALA 27 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2pk0 n ALA 27 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 0.18 0.43 3.52 0.00 0.00 -0.91 -5.04 105.19 103.38 2pk0 n GLY 28 Ca 0.06 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 5.17 0.28 1.61 1.01 -1.26 -4.89 120.40 120.32 2pk0 s VAL 29 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 2pk0 s VAL 29 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2pk0 s VAL 29 CO 0.00 0.05 1.40 -2.16 0.00 0.00 0.00 175.10 174.40 2pk0 s PRO 30 N 1.71 4.28 -0.11 2.72 0.04 -1.26 -2.22 135.00 140.16 2pk0 s PRO 30 Ca 0.06 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2pk0 s PRO 30 Cb -0.17 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.29 2pk0 s PRO 30 CO 0.10 -0.36 -0.19 -1.17 0.04 0.00 0.00 177.00 175.41 2pk0 s LEU 31 N -0.94 1.94 -0.19 -3.56 2.96 0.04 -1.99 118.68 116.94 2pk0 s LEU 31 Ca 0.56 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2pk0 s LEU 31 Cb -0.42 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2pk0 s LEU 31 CO 0.48 0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.91 2pk0 s ILE 32 N 0.76 3.59 -0.20 6.68 1.01 0.10 -0.43 121.20 132.70 2pk0 s ILE 32 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2pk0 s ILE 32 Cb -0.16 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.74 2pk0 s ILE 32 CO 0.01 0.45 -0.16 -0.63 0.00 0.00 0.00 174.94 174.61 2pk0 s ILE 33 N 0.98 1.99 -0.09 2.92 1.01 -0.85 -0.51 121.20 126.66 2pk0 s ILE 33 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 2pk0 s ILE 33 Cb -0.15 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2pk0 s ILE 33 CO 0.01 0.35 -0.03 -0.22 0.00 0.00 0.00 174.94 175.04 2pk0 s LEU 34 N 1.27 3.37 0.00 2.97 0.20 -0.28 -2.51 118.68 123.69 2pk0 s LEU 34 Ca 0.01 0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.86 2pk0 s LEU 34 Cb -0.15 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.84 2pk0 s LEU 34 CO -0.10 0.33 -0.01 0.00 -0.29 0.00 0.00 176.35 176.28 2pk0 s ALA 35 N -0.62 0.08 -0.34 5.97 0.00 -0.14 -0.71 121.76 126.01 2pk0 s ALA 35 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 2pk0 s ALA 35 Cb -0.12 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.08 2pk0 s ALA 35 CO 0.02 0.01 0.07 0.34 0.00 0.00 0.00 175.76 176.20 2pk0 s ASP 36 N -0.11 4.94 0.59 0.00 -1.08 -1.23 -0.84 116.67 118.94 2pk0 s ASP 36 Ca -0.01 -1.78 -0.14 0.00 -0.52 0.00 0.00 52.55 50.10 2pk0 s ASP 36 Cb -0.01 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.69 2pk0 s ASP 36 CO -0.00 -0.38 1.03 -0.83 0.52 0.00 0.00 175.17 175.50 2pk0 s GLY 37 N 1.34 1.93 0.06 2.66 0.00 -0.20 -1.54 107.32 111.58 2pk0 s GLY 37 Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 2pk0 s GLY 37 CO -0.04 0.46 0.08 -3.16 0.00 0.00 0.00 173.10 170.44 2pk0 s MET 38 N -4.46 0.68 0.00 2.90 0.23 0.34 -4.76 119.30 114.24 2pk0 s MET 38 Ca 0.59 -0.99 0.00 0.00 -1.03 0.00 0.00 55.69 54.26 2pk0 s MET 38 Cb -0.12 0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 2pk0 s MET 38 CO 0.41 -0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.64 2pk0 n GLY 39 N 0.25 0.15 3.56 3.16 0.00 -1.23 -2.68 105.19 108.40 2pk0 n GLY 39 Ca -0.16 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.26 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 0.00 -1.10 0.34 -0.02 0.00 -1.26 -4.48 105.19 98.67 2pk0 n GLY 40 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.76 -0.87 -0.13 1.61 -0.00 -1.99 -0.66 115.15 111.35 2pk0 h HIS 41 Ca -0.43 0.08 -0.12 0.00 -0.00 0.00 0.00 60.37 59.89 2pk0 h HIS 41 Cb 1.28 0.49 0.00 0.00 -0.00 0.00 0.00 27.41 29.17 2pk0 h HIS 41 CO 0.45 -0.38 -0.40 -0.09 -0.00 0.00 0.00 177.93 177.52 2pk0 h ARG 42 N -0.10 0.50 0.03 2.45 2.43 -1.97 -3.19 114.38 114.54 2pk0 h ARG 42 Ca 0.29 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2pk0 h ARG 42 Cb 0.57 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2pk0 h ARG 42 CO -0.77 0.98 -0.06 0.00 -1.51 0.00 0.00 179.97 178.61 2pk0 h ALA 43 N 0.52 -0.09 -0.37 2.80 0.00 -1.68 -1.25 119.26 119.20 2pk0 h ALA 43 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2pk0 h ALA 43 Cb 1.02 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2pk0 h ALA 43 CO 0.08 -0.56 -0.21 0.78 0.00 0.00 0.00 179.25 179.34 2pk0 h GLY 44 N -0.12 0.78 0.97 0.00 0.00 -1.20 -0.98 103.07 102.53 2pk0 h GLY 44 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.71 2pk0 h GLY 44 CO -0.03 0.59 0.40 -0.57 0.00 0.00 0.00 176.54 176.92 2pk0 h ASN 45 N 0.63 0.68 -0.22 0.19 -1.24 -1.51 -2.82 115.58 111.29 2pk0 h ASN 45 Ca 0.09 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 2pk0 h ASN 45 Cb 0.70 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 2pk0 h ASN 45 CO 0.05 0.49 -0.10 0.40 -1.29 0.00 0.00 177.43 176.98 2pk0 h ILE 46 N 0.81 1.30 -0.72 2.57 2.04 -0.63 -2.21 117.51 120.67 2pk0 h ILE 46 Ca 0.23 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2pk0 h ILE 46 Cb -0.07 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2pk0 h ILE 46 CO -0.06 0.35 0.48 0.00 0.00 0.00 0.00 178.15 178.92 2pk0 h ALA 47 N 0.72 1.56 0.18 1.87 0.00 -1.19 0.41 119.26 122.80 2pk0 h ALA 47 Ca 0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 2pk0 h ALA 47 Cb 0.58 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pk0 h ALA 47 CO 0.03 0.38 -1.49 0.66 0.00 0.00 0.00 179.25 178.83 2pk0 h SER 48 N 0.90 0.58 -0.08 0.00 4.64 -1.45 -2.89 113.55 115.25 2pk0 h SER 48 Ca 0.28 -0.70 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 2pk0 h SER 48 Cb 0.02 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2pk0 h SER 48 CO -0.08 1.57 -0.30 -0.08 -0.87 0.00 0.00 176.83 177.08 2pk0 h GLU 49 N 0.10 0.35 -0.43 4.77 4.81 -1.08 -2.68 114.58 120.42 2pk0 h GLU 49 Ca -0.24 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2pk0 h GLU 49 Cb 2.07 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.47 2pk0 h GLU 49 CO 0.21 0.89 0.25 1.98 -0.73 0.00 0.00 179.01 181.62 2pk0 h MET 50 N -0.12 0.50 -0.42 1.92 4.05 -0.33 -0.72 114.93 119.81 2pk0 h MET 50 Ca -0.01 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2pk0 h MET 50 Cb 0.93 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.59 2pk0 h MET 50 CO 0.06 0.33 0.24 1.15 0.23 0.00 0.00 176.91 178.92 2pk0 h THR 51 N 0.51 1.02 -0.29 -0.77 2.02 -1.57 0.41 112.91 114.24 2pk0 h THR 51 Ca 0.17 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2pk0 h THR 51 Cb 0.01 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2pk0 h THR 51 CO -0.08 0.09 -0.07 0.58 0.37 0.00 0.00 175.52 176.41 2pk0 h VAL 52 N 0.48 1.28 -0.09 3.16 2.07 -1.20 -2.55 116.25 119.40 2pk0 h VAL 52 Ca 0.17 -1.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 2pk0 h VAL 52 Cb 0.04 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2pk0 h VAL 52 CO -0.09 0.35 -0.62 0.71 0.02 0.00 0.00 177.57 177.93 2pk0 h THR 53 N 0.33 1.38 0.00 2.57 1.35 -0.98 -1.57 112.91 115.99 2pk0 h THR 53 Ca 0.07 -1.99 -0.04 0.00 -0.55 0.00 0.00 66.41 63.91 2pk0 h THR 53 Cb 0.55 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2pk0 h THR 53 CO 0.03 0.59 -0.19 0.44 -0.25 0.00 0.00 175.52 176.14 2pk0 h ASP 54 N 0.24 0.00 0.31 5.36 3.32 -0.93 0.56 116.42 125.28 2pk0 h ASP 54 Ca -0.01 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 2pk0 h ASP 54 Cb 1.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2pk0 h ASP 54 CO 0.10 0.19 -1.82 -0.07 -1.72 0.00 0.00 179.24 175.92 2pk0 h LEU 55 N 0.00 0.25 -0.86 1.55 4.07 -1.47 -3.23 115.31 115.61 2pk0 h LEU 55 Ca -0.00 -0.53 -0.12 0.00 0.08 0.00 0.00 57.88 57.31 2pk0 h LEU 55 Cb 1.02 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2pk0 h LEU 55 CO 0.02 1.47 -0.45 1.23 -1.08 0.00 0.00 178.44 179.63 2pk0 h GLY 56 N 2.12 0.28 1.61 0.83 0.00 -1.19 0.59 103.07 107.31 2pk0 h GLY 56 Ca -0.35 -0.28 -0.21 0.00 0.00 0.00 0.00 47.33 46.49 2pk0 h GLY 56 CO 0.10 0.26 -0.86 1.48 0.00 0.00 0.00 176.54 177.51 2pk0 h SER 57 N 0.21 0.46 -0.07 0.19 4.64 -1.03 -2.88 113.55 115.06 2pk0 h SER 57 Ca 0.01 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.81 2pk0 h SER 57 Cb 0.88 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2pk0 h SER 57 CO 0.07 1.13 -0.58 -0.78 -0.87 0.00 0.00 176.83 175.80 2pk0 h ASP 58 N 0.22 0.74 -0.54 4.97 1.82 -1.56 -3.24 116.42 118.84 2pk0 h ASP 58 Ca -0.06 -0.41 0.01 0.00 -0.39 0.00 0.00 57.03 56.18 2pk0 h ASP 58 Cb 1.48 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 2pk0 h ASP 58 CO 0.15 1.16 0.35 -0.25 -1.61 0.00 0.00 179.24 179.03 2pk0 h TRP 59 N 0.50 0.65 0.00 0.28 2.91 -0.81 -2.83 115.95 116.65 2pk0 h TRP 59 Ca 0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2pk0 h TRP 59 Cb 1.15 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2pk0 h TRP 59 CO 0.06 0.40 0.00 0.00 -1.03 0.00 0.00 178.44 177.87 2pk0 n ALA 60 N -2.26 1.44 -0.63 2.65 0.00 -1.10 -0.97 120.51 119.66 2pk0 n ALA 60 Ca 0.03 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.69 2pk0 n ALA 60 Cb 0.04 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.23 3.89 -3.80 0.00 -0.58 -1.07 -3.89 120.64 112.97 2pk0 n GLU 61 Ca 0.01 -2.90 -0.21 0.00 -0.42 0.00 0.00 57.16 53.65 2pk0 n GLU 61 Cb 0.16 -1.95 -0.02 0.00 -0.57 0.00 0.00 31.44 29.05 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 -1.97 4.28 -0.04 2.62 -4.23 -0.14 -4.96 115.64 111.19 2pk0 s THR 62 Ca 0.52 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2pk0 s THR 62 Cb 0.34 -3.45 0.10 0.00 1.34 0.00 0.00 72.50 70.83 2pk0 s THR 62 CO 0.23 -0.24 0.98 -0.90 -0.54 0.00 0.00 174.62 174.16 2pk0 n ASP 63 N -1.43 1.61 -4.76 3.99 5.68 -1.26 -1.11 116.55 119.26 2pk0 n ASP 63 Ca -0.04 -2.23 -0.33 0.00 -0.50 0.00 0.00 54.79 51.69 2pk0 n ASP 63 Cb 0.58 -0.17 0.06 0.00 -1.14 0.00 0.00 41.12 40.45 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 -1.38 2.53 0.00 2.11 2.99 -1.26 -4.63 117.98 118.34 2pk0 s PHE 64 Ca 0.11 1.56 0.00 0.00 0.00 0.00 0.00 56.93 58.60 2pk0 s PHE 64 Cb 0.10 -3.21 0.00 0.00 0.00 0.00 0.00 43.02 39.91 2pk0 s PHE 64 CO 0.01 -1.82 0.00 -1.13 -0.00 0.00 0.00 175.22 172.28 2pk0 n SER 65 N -2.52 0.00 -4.84 1.36 3.41 -1.26 -4.71 113.62 105.06 2pk0 n SER 65 Ca 0.11 -0.29 -0.37 0.00 -0.26 0.00 0.00 58.87 58.06 2pk0 n SER 65 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 3.78 0.33 4.33 2.56 -1.26 -4.99 118.70 123.44 2pk0 s GLU 66 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 54.97 55.21 2pk0 s GLU 66 Cb 0.00 -3.23 0.72 0.00 2.00 0.00 0.00 34.13 33.62 2pk0 s GLU 66 CO 0.00 0.68 1.86 -0.07 -0.56 0.00 0.00 175.26 177.16 2pk0 h LEU 67 N 5.02 0.76 -0.22 2.70 3.38 -1.99 -2.25 115.31 122.70 2pk0 h LEU 67 Ca -0.52 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2pk0 h LEU 67 Cb 1.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2pk0 h LEU 67 CO 0.62 0.39 0.10 0.77 0.09 0.00 0.00 178.44 180.40 2pk0 h SER 68 N 0.80 0.29 1.74 -0.43 4.64 -2.00 -2.82 113.55 115.78 2pk0 h SER 68 Ca 0.47 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2pk0 h SER 68 Cb 0.64 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2pk0 h SER 68 CO -0.23 0.35 -0.26 1.05 -0.87 0.00 0.00 176.83 176.86 2pk0 h GLU 69 N 0.22 0.00 -0.31 4.77 4.11 -1.92 -2.76 114.58 118.69 2pk0 h GLU 69 Ca 0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.40 2pk0 h GLU 69 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2pk0 h GLU 69 CO -0.01 0.10 -0.21 0.82 0.07 0.00 0.00 179.01 179.78 2pk0 h ILE 70 N 0.00 1.30 -0.96 -1.06 2.04 -1.45 -2.32 117.51 115.05 2pk0 h ILE 70 Ca -0.01 -1.35 0.08 0.00 1.00 0.00 0.00 64.86 64.58 2pk0 h ILE 70 Cb 1.09 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 2pk0 h ILE 70 CO 0.01 0.44 0.61 -0.09 0.00 0.00 0.00 178.15 179.12 2pk0 h ARG 71 N 0.44 1.03 -0.06 2.37 2.43 -1.47 -0.89 114.38 118.23 2pk0 h ARG 71 Ca 0.06 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2pk0 h ARG 71 Cb 0.76 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2pk0 h ARG 71 CO 0.06 0.68 0.01 -0.44 -1.51 0.00 0.00 179.97 178.77 2pk0 h ASP 72 N 1.06 0.09 -0.30 -3.80 3.32 -1.41 -2.63 116.42 112.75 2pk0 h ASP 72 Ca 0.44 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2pk0 h ASP 72 Cb 0.27 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2pk0 h ASP 72 CO -0.20 0.34 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.39 2pk0 h TRP 73 N -0.16 -0.04 -0.79 4.55 7.01 -1.00 -1.86 115.95 123.65 2pk0 h TRP 73 Ca 0.02 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.11 2pk0 h TRP 73 Cb 0.29 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.36 2pk0 h TRP 73 CO 0.02 -0.07 0.47 0.52 -2.79 0.00 0.00 178.44 176.59 2pk0 h MET 74 N 0.07 0.83 -0.56 2.65 2.86 -1.19 -0.62 114.93 118.98 2pk0 h MET 74 Ca 0.15 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2pk0 h MET 74 Cb 0.20 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2pk0 h MET 74 CO -0.26 0.55 0.03 -0.07 1.06 0.00 0.00 176.91 178.22 2pk0 h LEU 75 N 0.86 0.93 0.00 1.22 3.38 -1.00 -1.53 115.31 119.16 2pk0 h LEU 75 Ca 0.35 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2pk0 h LEU 75 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pk0 h LEU 75 CO -0.19 0.99 -0.83 -0.37 0.09 0.00 0.00 178.44 178.13 2pk0 h VAL 76 N 0.84 0.76 -0.10 1.22 -1.51 -1.21 -3.09 116.25 113.17 2pk0 h VAL 76 Ca 0.16 -2.17 -0.04 0.00 -1.23 0.00 0.00 66.70 63.42 2pk0 h VAL 76 Cb 0.49 2.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.95 2pk0 h VAL 76 CO 0.02 0.43 -0.09 0.28 -1.23 0.00 0.00 177.57 176.98 2pk0 h SER 77 N 0.00 0.25 -0.89 4.19 0.02 -1.05 -1.94 113.55 114.13 2pk0 h SER 77 Ca -0.06 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2pk0 h SER 77 Cb 1.46 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 2pk0 h SER 77 CO 0.06 0.68 0.58 0.40 -1.14 0.00 0.00 176.83 177.41 2pk0 h ILE 78 N -0.18 1.17 -0.18 3.27 2.04 -1.39 -0.38 117.51 121.86 2pk0 h ILE 78 Ca 0.02 -0.39 -0.20 0.00 1.00 0.00 0.00 64.86 65.28 2pk0 h ILE 78 Cb 0.61 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2pk0 h ILE 78 CO 0.02 0.21 -0.68 -0.08 0.00 0.00 0.00 178.15 177.62 2pk0 h GLU 79 N 1.14 0.72 0.00 2.37 4.57 -1.50 0.20 114.58 122.08 2pk0 h GLU 79 Ca 0.35 -0.53 -0.13 0.00 -1.18 0.00 0.00 59.36 57.86 2pk0 h GLU 79 Cb -0.03 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2pk0 h GLU 79 CO -0.11 1.15 -0.62 1.79 -1.18 0.00 0.00 179.01 180.04 2pk0 h THR 80 N 0.52 1.42 -0.10 0.32 1.35 -1.20 -1.19 112.91 114.02 2pk0 h THR 80 Ca -0.02 -2.16 -0.13 0.00 -0.55 0.00 0.00 66.41 63.55 2pk0 h THR 80 Cb 1.29 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.87 2pk0 h THR 80 CO 0.14 0.61 -0.50 -0.08 -0.25 0.00 0.00 175.52 175.44 2pk0 h GLU 81 N 0.00 0.27 -0.62 4.72 4.57 -0.94 -1.65 114.58 120.92 2pk0 h GLU 81 Ca -0.01 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2pk0 h GLU 81 Cb 1.13 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 2pk0 h GLU 81 CO 0.08 0.71 0.24 -0.97 -1.18 0.00 0.00 179.01 177.89 2pk0 h ASN 82 N 0.21 0.85 0.69 1.04 -0.73 -0.07 -1.66 115.58 115.92 2pk0 h ASN 82 Ca 0.01 -0.17 -0.12 0.00 1.87 0.00 0.00 56.30 57.89 2pk0 h ASN 82 Cb 0.96 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 2pk0 h ASN 82 CO 0.08 0.79 -0.55 0.03 -0.37 0.00 0.00 177.43 177.41 2pk0 h ARG 83 N 0.86 0.00 -0.05 6.67 3.08 -1.16 -2.16 114.38 121.63 2pk0 h ARG 83 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2pk0 h ARG 83 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2pk0 h ARG 83 CO -0.02 0.55 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.16 2pk0 h LYS 84 N 0.00 0.12 -0.52 0.04 3.64 -1.12 -3.02 116.57 115.71 2pk0 h LYS 84 Ca -0.01 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 2pk0 h LYS 84 Cb 1.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2pk0 h LYS 84 CO 0.07 0.59 -0.11 0.82 -2.27 0.00 0.00 179.45 178.55 2pk0 h ILE 85 N -0.35 1.27 -0.77 2.00 1.08 -1.31 -2.98 117.51 116.45 2pk0 h ILE 85 Ca 0.01 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.19 2pk0 h ILE 85 Cb 0.57 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 2pk0 h ILE 85 CO 0.01 0.44 0.34 0.22 -0.69 0.00 0.00 178.15 178.47 2pk0 h TYR 86 N 0.86 1.14 -0.21 1.37 3.20 -1.48 -0.97 116.97 120.88 2pk0 h TYR 86 Ca 0.14 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2pk0 h TYR 86 Cb 0.66 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2pk0 h TYR 86 CO 0.04 0.85 0.10 1.49 -1.64 0.00 0.00 178.16 179.01 2pk0 h GLU 87 N 1.11 0.30 -0.25 1.82 4.57 -1.43 -2.51 114.58 118.19 2pk0 h GLU 87 Ca 0.26 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2pk0 h GLU 87 Cb 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2pk0 h GLU 87 CO -0.03 0.31 0.04 -0.07 -1.18 0.00 0.00 179.01 178.09 2pk0 h LEU 88 N 0.22 0.33 0.00 1.64 3.38 -1.38 -2.19 115.31 117.31 2pk0 h LEU 88 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pk0 h LEU 88 Cb 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pk0 h LEU 88 CO -0.01 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2pk0 n GLY 89 N -1.14 -1.07 0.19 0.83 0.00 -0.38 -2.01 105.19 101.61 2pk0 n GLY 89 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2pk0 n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pk0 n GLN 90 N -1.46 0.52 -2.18 1.61 1.13 -0.83 -4.35 117.38 111.82 2pk0 n GLN 90 Ca 0.05 -0.39 -0.34 0.00 -1.94 0.00 0.00 57.00 54.38 2pk0 n GLN 90 Cb 0.20 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2pk0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2pk0 s SER 91 N -2.74 5.81 0.50 1.08 0.01 -0.85 -4.97 113.70 112.54 2pk0 s SER 91 Ca 0.15 1.96 0.29 0.00 1.31 0.00 0.00 55.95 59.67 2pk0 s SER 91 Cb 0.18 -2.55 1.02 0.00 0.21 0.00 0.00 66.02 64.87 2pk0 s SER 91 CO 0.67 -1.15 1.86 0.44 0.41 0.00 0.00 173.24 175.47 2pk0 h ASP 92 N 0.85 0.00 1.04 2.44 5.19 -1.89 -3.07 116.42 120.99 2pk0 h ASP 92 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2pk0 h ASP 92 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2pk0 h ASP 92 CO 0.57 0.04 0.00 0.47 -3.12 0.00 0.00 179.24 177.20 2pk0 n ASP 93 N -3.14 0.26 -2.63 6.45 8.00 -1.26 -4.14 116.55 120.09 2pk0 n ASP 93 Ca 0.01 0.53 -0.07 0.00 0.71 0.00 0.00 54.79 55.97 2pk0 n ASP 93 Cb 0.39 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 40.93 2pk0 n ASP 93 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pk0 n TYR 94 N -1.75 1.65 -2.09 1.24 4.01 -1.16 -4.85 117.16 114.22 2pk0 n TYR 94 Ca 0.06 -2.26 -0.42 0.00 -0.16 0.00 0.00 57.90 55.12 2pk0 n TYR 94 Cb 0.33 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 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 -3.68 4.29 -0.01 -0.72 1.02 -1.25 -2.74 119.74 116.64 2pk0 s LYS 95 Ca 0.33 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.49 2pk0 s LYS 95 Cb 0.36 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2pk0 s LYS 95 CO -0.02 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2pk0 n GLY 96 N 3.46 0.43 3.76 -3.33 0.00 -1.26 -4.27 105.19 103.98 2pk0 n GLY 96 Ca 0.12 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.28 3.56 0.00 1.61 1.75 -1.11 -3.57 119.30 120.26 2pk0 s MET 97 Ca 0.00 1.93 0.00 0.00 -1.25 0.00 0.00 55.69 56.37 2pk0 s MET 97 Cb 0.00 -2.37 0.00 0.00 2.84 0.00 0.00 34.83 35.30 2pk0 s MET 97 CO 0.00 -0.76 0.00 0.41 -0.65 0.00 0.00 175.02 174.02 2pk0 n GLY 98 N 0.54 1.10 3.32 2.11 0.00 -1.09 -4.84 105.19 106.33 2pk0 n GLY 98 Ca 0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2pk0 n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pk0 s THR 99 N -2.00 0.05 0.74 2.61 -1.32 -0.70 -0.50 115.64 114.53 2pk0 s THR 99 Ca 0.00 -0.43 -0.08 0.00 -1.21 0.00 0.00 61.69 59.97 2pk0 s THR 99 Cb 0.00 -0.87 0.08 0.00 -1.51 0.00 0.00 72.50 70.19 2pk0 s THR 99 CO 0.00 -0.24 1.07 0.42 -2.21 0.00 0.00 174.62 173.66 2pk0 s THR 100 N -2.08 2.19 -0.03 5.08 -4.23 -0.59 0.20 115.64 116.19 2pk0 s THR 100 Ca -0.08 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 2pk0 s THR 100 Cb -0.02 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.85 2pk0 s THR 100 CO 0.00 0.00 0.19 -0.51 -0.54 0.00 0.00 174.62 173.76 2pk0 s ILE 101 N -3.36 0.05 -0.28 2.99 2.07 -0.84 -3.50 121.20 118.32 2pk0 s ILE 101 Ca 0.61 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 2pk0 s ILE 101 Cb -0.10 -0.41 0.11 0.00 0.13 0.00 0.00 42.46 42.19 2pk0 s ILE 101 CO 0.46 -0.23 0.19 -0.70 -1.91 0.00 0.00 174.94 172.75 2pk0 s GLU 102 N -0.87 0.24 -0.32 3.50 2.56 0.12 -1.56 118.70 122.37 2pk0 s GLU 102 Ca -0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 54.97 54.47 2pk0 s GLU 102 Cb -0.05 -0.99 0.03 0.00 2.00 0.00 0.00 34.13 35.11 2pk0 s GLU 102 CO 0.02 -1.00 0.09 0.00 -0.56 0.00 0.00 175.26 173.81 2pk0 s ALA 103 N 2.21 3.04 -0.17 6.30 0.00 -0.70 -1.13 121.76 131.31 2pk0 s ALA 103 Ca 0.09 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.43 2pk0 s ALA 103 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2pk0 s ALA 103 CO -0.34 -1.15 -0.17 0.08 0.00 0.00 0.00 175.76 174.18 2pk0 s VAL 104 N 1.44 2.36 -0.07 0.00 1.01 0.34 -1.77 120.40 123.71 2pk0 s VAL 104 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2pk0 s VAL 104 Cb -0.18 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2pk0 s VAL 104 CO 0.02 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 2pk0 s ALA 105 N 1.11 3.10 -0.26 5.51 0.00 -0.22 -0.73 121.76 130.28 2pk0 s ALA 105 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 2pk0 s ALA 105 Cb -0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2pk0 s ALA 105 CO -0.07 0.58 0.06 0.42 0.00 0.00 0.00 175.76 176.76 2pk0 s ILE 106 N -0.86 4.06 -0.20 0.00 1.01 -0.84 -1.66 121.20 122.72 2pk0 s ILE 106 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2pk0 s ILE 106 Cb -0.11 -2.97 0.07 0.00 0.01 0.00 0.00 42.46 39.45 2pk0 s ILE 106 CO 0.02 0.25 0.07 0.54 0.00 0.00 0.00 174.94 175.82 2pk0 s VAL 107 N 1.55 0.22 0.00 2.92 0.11 0.37 -4.03 120.40 121.54 2pk0 s VAL 107 Ca 0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2pk0 s VAL 107 Cb -0.16 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2pk0 s VAL 107 CO 0.02 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 2pk0 n GLY 108 N 5.16 2.21 0.93 6.54 0.00 -1.26 -2.08 105.19 116.69 2pk0 n GLY 108 Ca -0.08 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 8.08 3.73 -4.28 1.61 8.00 -1.26 -4.96 116.55 127.46 2pk0 n ASP 109 Ca 0.00 -2.58 -0.30 0.00 0.71 0.00 0.00 54.79 52.61 2pk0 n ASP 109 Cb 0.00 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.50 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 -1.43 2.93 0.13 -2.24 0.01 -0.89 -0.04 114.94 113.41 2pk0 s ASN 110 Ca 0.37 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 52.09 2pk0 s ASN 110 Cb 0.26 -0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 2pk0 s ASN 110 CO 0.13 0.28 0.13 0.27 -1.51 0.00 0.00 177.10 176.41 2pk0 s ILE 111 N -0.42 4.63 -0.04 0.60 -4.36 -0.83 -0.48 121.20 120.31 2pk0 s ILE 111 Ca 0.05 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 59.56 2pk0 s ILE 111 Cb -0.11 -3.31 0.02 0.00 1.25 0.00 0.00 42.46 40.30 2pk0 s ILE 111 CO 0.01 -0.01 -0.06 -0.51 0.24 0.00 0.00 174.94 174.60 2pk0 s ILE 112 N -1.61 0.65 0.07 8.37 2.07 -0.66 -2.33 121.20 127.76 2pk0 s ILE 112 Ca 0.31 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 59.38 2pk0 s ILE 112 Cb -0.11 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2pk0 s ILE 112 CO 0.24 0.24 -0.14 0.72 -1.91 0.00 0.00 174.94 174.08 2pk0 s PHE 113 N 0.66 1.24 -0.10 3.50 -0.12 -0.53 -1.05 117.98 121.58 2pk0 s PHE 113 Ca -0.10 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.35 2pk0 s PHE 113 Cb -0.13 -0.69 0.01 0.00 -0.63 0.00 0.00 43.02 41.57 2pk0 s PHE 113 CO 0.01 0.06 -0.21 0.00 -0.05 0.00 0.00 175.22 175.03 2pk0 s ALA 114 N -1.31 1.98 -0.13 1.99 0.00 -0.73 -1.97 121.76 121.60 2pk0 s ALA 114 Ca -0.01 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2pk0 s ALA 114 Cb -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2pk0 s ALA 114 CO 0.02 0.17 -0.19 -1.58 0.00 0.00 0.00 175.76 174.19 2pk0 s HIS 115 N 0.54 2.35 -0.09 0.00 5.04 -0.61 -1.72 115.29 120.79 2pk0 s HIS 115 Ca -0.15 -1.17 -0.02 0.00 -1.54 0.00 0.00 55.06 52.19 2pk0 s HIS 115 Cb -0.17 -1.64 0.03 0.00 0.04 0.00 0.00 32.58 30.85 2pk0 s HIS 115 CO 0.05 -0.56 0.01 0.08 -2.34 0.00 0.00 174.74 171.98 2pk0 s VAL 116 N 0.93 0.40 0.00 0.89 1.01 -0.60 -1.35 120.40 121.68 2pk0 s VAL 116 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2pk0 s VAL 116 Cb -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2pk0 s VAL 116 CO -0.02 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2pk0 n GLY 117 N 5.13 0.16 0.71 4.51 0.00 -1.25 -1.99 105.19 112.46 2pk0 n GLY 117 Ca -0.07 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 3.32 -4.47 1.61 5.75 -1.26 -1.32 116.55 120.18 2pk0 n ASP 118 Ca 0.00 -2.52 -0.29 0.00 -0.01 0.00 0.00 54.79 51.97 2pk0 n ASP 118 Cb 0.00 -0.38 0.15 0.00 -1.03 0.00 0.00 41.12 39.87 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 -1.51 3.31 0.03 -1.12 0.01 -1.26 -4.34 113.70 108.83 2pk0 s SER 119 Ca 0.31 0.63 0.01 0.00 1.31 0.00 0.00 55.95 58.22 2pk0 s SER 119 Cb 0.22 -0.96 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 2pk0 s SER 119 CO 0.11 -2.64 -0.06 -0.13 0.41 0.00 0.00 173.24 170.93 2pk0 s ARG 120 N -5.59 0.45 -0.03 12.44 0.52 -0.06 -4.84 118.95 121.84 2pk0 s ARG 120 Ca 0.68 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 55.22 2pk0 s ARG 120 Cb -0.09 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.24 2pk0 s ARG 120 CO 0.52 0.01 -0.18 0.42 0.02 0.00 0.00 175.30 176.09 2pk0 s ILE 121 N -1.51 1.48 0.17 1.52 1.01 -1.26 -1.20 121.20 121.42 2pk0 s ILE 121 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 2pk0 s ILE 121 Cb -0.09 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.15 2pk0 s ILE 121 CO -0.00 0.42 0.47 -0.83 0.00 0.00 0.00 174.94 174.99 2pk0 s GLY 122 N -0.20 -0.09 -0.07 6.18 0.00 -0.06 -1.00 107.32 112.08 2pk0 s GLY 122 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.55 2pk0 s GLY 122 CO 0.01 -0.33 -0.20 -0.42 0.00 0.00 0.00 173.10 172.16 2pk0 s ILE 123 N -3.86 1.73 -0.39 0.90 -1.09 -0.92 0.35 121.20 117.91 2pk0 s ILE 123 Ca 0.08 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.56 2pk0 s ILE 123 Cb 0.00 -1.49 0.07 0.00 -1.58 0.00 0.00 42.46 39.46 2pk0 s ILE 123 CO -0.05 0.49 0.21 -0.69 -1.23 0.00 0.00 174.94 173.67 2pk0 s VAL 124 N 0.16 4.07 -0.03 2.92 1.01 0.77 -1.21 120.40 128.09 2pk0 s VAL 124 Ca -0.10 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 60.60 2pk0 s VAL 124 Cb -0.15 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2pk0 s VAL 124 CO 0.05 -0.41 -0.19 -0.60 0.00 0.00 0.00 175.10 173.95 2pk0 s ARG 125 N 1.41 1.66 4.95 2.72 3.52 -0.78 -2.12 118.95 130.31 2pk0 s ARG 125 Ca 0.02 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2pk0 s ARG 125 Cb -0.22 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 2pk0 s ARG 125 CO 0.02 0.36 0.00 1.04 -0.81 0.00 0.00 175.30 175.91 2pk0 n GLN 126 N 2.79 0.00 -1.47 5.12 1.13 -1.26 -1.46 117.38 122.22 2pk0 n GLN 126 Ca -0.16 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.63 2pk0 n GLN 126 Cb 0.53 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.97 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 5.81 2.85 1.08 0.00 -1.26 -5.00 105.19 108.67 2pk0 n GLY 127 Ca 0.00 -2.19 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.65 0.60 -0.05 1.61 2.12 -0.54 -4.84 118.70 113.97 2pk0 s GLU 128 Ca 0.58 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.70 2pk0 s GLU 128 Cb 0.46 -0.72 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 2pk0 s GLU 128 CO 0.02 -0.13 0.55 -0.47 -0.54 0.00 0.00 175.26 174.68 2pk0 s TYR 129 N 1.10 3.62 -0.22 5.30 5.04 -1.26 -1.87 117.35 129.07 2pk0 s TYR 129 Ca -0.08 1.08 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 2pk0 s TYR 129 Cb -0.14 -2.57 0.05 0.00 0.35 0.00 0.00 41.96 39.65 2pk0 s TYR 129 CO -0.01 0.30 -0.10 -1.01 -1.34 0.00 0.00 175.55 173.39 2pk0 s HIS 130 N 0.06 2.68 -0.10 4.97 3.76 -0.35 -4.96 115.29 121.35 2pk0 s HIS 130 Ca 0.29 -1.83 -0.30 0.00 -0.15 0.00 0.00 55.06 53.07 2pk0 s HIS 130 Cb -0.17 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2pk0 s HIS 130 CO 0.15 -0.79 1.08 -1.17 -0.85 0.00 0.00 174.74 173.15 2pk0 s LEU 131 N 1.30 4.25 0.00 0.89 2.96 -1.26 -2.16 118.68 124.66 2pk0 s LEU 131 Ca -0.04 1.62 0.21 0.00 -0.22 0.00 0.00 54.13 55.71 2pk0 s LEU 131 Cb -0.17 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 2pk0 s LEU 131 CO -0.07 -0.51 1.01 0.18 -1.32 0.00 0.00 176.35 175.64 2pk0 n LEU 132 N 5.17 1.75 -4.45 -0.68 4.77 -0.17 -4.99 117.00 118.40 2pk0 n LEU 132 Ca 0.10 -0.70 -0.24 0.00 -0.03 0.00 0.00 56.01 55.14 2pk0 n LEU 132 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2pk0 n LEU 132 CO 0.53 0.34 -0.48 0.42 -1.33 0.00 0.00 177.39 176.87 2pk0 s THR 133 N -2.52 2.40 -0.18 -5.08 -4.23 -1.25 -4.98 115.64 99.80 2pk0 s THR 133 Ca 0.15 -2.36 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 2pk0 s THR 133 Cb 0.17 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 2pk0 s THR 133 CO 0.61 -0.39 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.67 2pk0 s SER 134 N -3.41 4.12 0.15 3.99 0.15 -1.26 -4.96 113.70 112.48 2pk0 s SER 134 Ca 0.28 -0.38 -0.34 0.00 0.70 0.00 0.00 55.95 56.22 2pk0 s SER 134 Cb -0.05 -1.67 -0.13 0.00 -1.71 0.00 0.00 66.02 62.45 2pk0 s SER 134 CO 0.14 0.06 1.62 0.47 1.20 0.00 0.00 173.24 176.72 2pk0 n ASP 135 N 4.26 3.24 -3.44 5.45 9.92 -1.26 -4.86 116.55 129.86 2pk0 n ASP 135 Ca -0.18 1.07 -0.40 0.00 -0.53 0.00 0.00 54.79 54.75 2pk0 n ASP 135 Cb 0.51 -1.44 -0.01 0.00 -0.64 0.00 0.00 41.12 39.54 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 3.70 2.57 -4.41 1.24 8.25 -0.44 -4.74 115.22 121.39 2pk0 n HIS 136 Ca 0.17 -2.94 -0.24 0.00 -0.26 0.00 0.00 57.72 54.45 2pk0 n HIS 136 Cb 0.30 -2.14 -0.09 0.00 1.12 0.00 0.00 29.99 29.17 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 1.25 3.85 0.19 0.41 1.04 -1.26 0.85 113.70 120.01 2pk0 s SER 137 Ca 0.60 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 2pk0 s SER 137 Cb 0.18 -0.45 0.10 0.00 0.10 0.00 0.00 66.02 65.95 2pk0 s SER 137 CO -0.08 0.04 1.77 0.25 0.98 0.00 0.00 173.24 176.21 2pk0 h LEU 138 N 2.30 0.87 -0.01 2.42 5.85 -1.60 -2.33 115.31 122.81 2pk0 h LEU 138 Ca -0.42 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2pk0 h LEU 138 Cb 1.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2pk0 h LEU 138 CO 0.59 0.76 0.00 -0.37 -0.34 0.00 0.00 178.44 179.07 2pk0 h VAL 139 N 0.91 0.00 -0.03 1.05 -1.51 -1.82 -2.34 116.25 112.51 2pk0 h VAL 139 Ca 0.23 -0.72 -0.22 0.00 -1.23 0.00 0.00 66.70 64.76 2pk0 h VAL 139 Cb 0.13 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2pk0 h VAL 139 CO -0.03 0.00 -0.88 -1.13 -1.23 0.00 0.00 177.57 174.30 2pk0 h ASN 140 N 0.00 0.56 0.61 4.19 -1.24 -1.77 -1.88 115.58 116.06 2pk0 h ASN 140 Ca 0.00 -0.42 -0.07 0.00 0.71 0.00 0.00 56.30 56.52 2pk0 h ASN 140 Cb 0.86 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 2pk0 h ASN 140 CO 0.00 1.21 -0.31 -0.33 -1.29 0.00 0.00 177.43 176.70 2pk0 h GLU 141 N 0.27 0.00 0.00 6.67 5.08 -1.36 0.18 114.58 125.43 2pk0 h GLU 141 Ca -0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2pk0 h GLU 141 Cb 1.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 2pk0 h GLU 141 CO 0.15 0.31 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.82 2pk0 h LEU 142 N 0.00 0.00 -0.17 1.33 3.38 -1.27 -0.69 115.31 117.89 2pk0 h LEU 142 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2pk0 h LEU 142 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2pk0 h LEU 142 CO 0.04 0.59 -0.50 0.58 0.09 0.00 0.00 178.44 179.24 2pk0 h VAL 143 N 0.00 1.33 0.00 1.22 2.07 -0.88 0.29 116.25 120.28 2pk0 h VAL 143 Ca -0.01 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 2pk0 h VAL 143 Cb 1.38 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2pk0 h VAL 143 CO 0.08 0.54 -0.16 0.11 0.02 0.00 0.00 177.57 178.16 2pk0 h LYS 144 N 0.31 0.00 -0.01 1.57 1.57 -0.93 -1.95 116.57 117.13 2pk0 h LYS 144 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2pk0 h LYS 144 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2pk0 h LYS 144 CO 0.11 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2pk0 n ALA 145 N -2.20 2.64 -2.52 3.86 0.00 -0.27 -4.91 120.51 117.10 2pk0 n ALA 145 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 2pk0 n ALA 145 Cb 0.38 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 1.04 0.02 0.04 0.00 0.00 -0.73 -4.92 105.19 100.65 2pk0 n GLY 146 Ca 0.21 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 2pk0 n GLY 146 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pk0 n GLN 147 N -2.32 1.35 -4.49 1.61 -0.06 -0.01 -4.98 117.38 108.47 2pk0 n GLN 147 Ca -0.08 0.03 -0.30 0.00 -2.00 0.00 0.00 57.00 54.65 2pk0 n GLN 147 Cb 0.57 -1.20 -0.12 0.00 -4.06 0.00 0.00 30.24 25.43 2pk0 n GLN 147 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2pk0 s LEU 148 N -5.14 2.61 0.63 1.69 1.43 -0.61 -4.98 118.68 114.32 2pk0 s LEU 148 Ca -0.09 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 2pk0 s LEU 148 Cb 0.03 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.78 2pk0 s LEU 148 CO 0.27 0.22 0.93 0.42 0.23 0.00 0.00 176.35 178.42 2pk0 s THR 149 N -1.03 2.96 0.37 5.49 -4.23 -1.26 -4.27 115.64 113.67 2pk0 s THR 149 Ca 0.16 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 2pk0 s THR 149 Cb -0.10 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.75 2pk0 s THR 149 CO 0.07 -0.21 1.98 -0.33 -0.54 0.00 0.00 174.62 175.59 2pk0 h GLU 150 N -0.33 0.62 -0.46 3.99 4.39 -1.97 -1.42 114.58 119.40 2pk0 h GLU 150 Ca -0.45 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 2pk0 h GLU 150 Cb 1.29 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 2pk0 h GLU 150 CO 0.60 0.48 0.10 1.49 -1.16 0.00 0.00 179.01 180.51 2pk0 h GLU 151 N 0.63 0.75 -0.10 2.33 4.81 -1.99 -2.41 114.58 118.60 2pk0 h GLU 151 Ca 0.16 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2pk0 h GLU 151 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2pk0 h GLU 151 CO -0.02 0.75 -0.50 0.93 -0.73 0.00 0.00 179.01 179.45 2pk0 h GLU 152 N 0.63 0.25 -0.08 1.92 5.08 -1.78 -2.89 114.58 117.70 2pk0 h GLU 152 Ca 0.14 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2pk0 h GLU 152 Cb 0.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2pk0 h GLU 152 CO 0.00 0.69 -0.56 0.00 -1.00 0.00 0.00 179.01 178.14 2pk0 h ALA 153 N 1.29 0.89 0.00 3.43 0.00 -1.25 -2.90 119.26 120.72 2pk0 h ALA 153 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pk0 h ALA 153 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2pk0 h ALA 153 CO 0.08 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.03 2pk0 n ALA 154 N -2.47 1.74 -0.03 0.00 0.00 -0.91 -3.13 120.51 115.71 2pk0 n ALA 154 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.47 2pk0 n ALA 154 Cb 0.59 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.06 2.13 -4.77 0.00 3.41 -1.15 -5.03 113.62 106.15 2pk0 n SER 155 Ca 0.03 -1.94 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 2pk0 n SER 155 Cb 0.24 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.94 3.24 0.34 7.33 2.46 -1.11 -4.94 115.29 121.67 2pk0 s HIS 156 Ca 0.05 1.55 0.08 0.00 0.47 0.00 0.00 55.06 57.21 2pk0 s HIS 156 Cb 0.03 -3.47 0.78 0.00 -0.13 0.00 0.00 32.58 29.79 2pk0 s HIS 156 CO 0.03 -1.26 1.84 -1.35 -2.47 0.00 0.00 174.74 171.53 2pk0 h PRO 157 N 3.33 0.71 -0.97 2.88 0.11 -1.92 -2.28 132.00 133.86 2pk0 h PRO 157 Ca -0.48 -0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.15 2pk0 h PRO 157 Cb 1.22 -0.16 -0.26 0.00 0.11 0.00 0.00 31.00 31.91 2pk0 h PRO 157 CO 0.65 0.47 0.55 1.04 -0.21 0.00 0.00 178.00 180.51 2pk0 n GLN 158 N -4.60 2.28 0.06 1.05 6.02 -1.26 -4.66 117.38 116.27 2pk0 n GLN 158 Ca 0.19 -2.71 0.07 0.00 -0.01 0.00 0.00 57.00 54.54 2pk0 n GLN 158 Cb 0.49 -2.07 0.31 0.00 1.02 0.00 0.00 30.24 30.00 2pk0 n GLN 158 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2pk0 n LYS 159 N -0.88 0.07 0.00 -1.09 2.85 -0.86 -2.36 118.16 115.90 2pk0 n LYS 159 Ca 0.52 0.43 0.11 0.00 -1.05 0.00 0.00 58.31 58.31 2pk0 n LYS 159 Cb 1.53 -1.66 -0.07 0.00 -0.65 0.00 0.00 35.03 34.18 2pk0 n LYS 159 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2pk0 n ASN 160 N -1.80 0.73 -4.67 -5.58 5.03 -1.26 -4.85 115.26 102.86 2pk0 n ASN 160 Ca 0.01 -0.63 -0.42 0.00 0.87 0.00 0.00 54.58 54.41 2pk0 n ASN 160 Cb 0.11 1.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.89 2pk0 n ASN 160 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pk0 s ILE 161 N -3.11 3.81 0.26 2.41 -1.09 -0.99 -5.00 121.20 117.49 2pk0 s ILE 161 Ca 0.05 1.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.58 2pk0 s ILE 161 Cb 0.16 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 2pk0 s ILE 161 CO 0.85 -0.07 0.39 0.27 -1.23 0.00 0.00 174.94 175.15 2pk0 s ILE 162 N 3.42 5.04 -0.78 2.92 -4.36 -1.26 -1.59 121.20 124.59 2pk0 s ILE 162 Ca 0.65 -0.98 0.09 0.00 -0.26 0.00 0.00 60.65 60.15 2pk0 s ILE 162 Cb -0.29 -3.78 -0.00 0.00 1.25 0.00 0.00 42.46 39.64 2pk0 s ILE 162 CO 0.24 -0.30 0.58 0.35 0.24 0.00 0.00 174.94 176.05 2pk0 n THR 163 N -1.46 0.00 -3.78 8.37 -2.24 0.25 -4.80 114.28 110.61 2pk0 n THR 163 Ca -0.07 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 2pk0 n THR 163 Cb 0.57 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.23 0.15 0.11 -0.78 -1.52 -1.25 -5.06 119.66 110.09 2pk0 s GLN 164 Ca 0.07 0.31 -0.25 0.00 -1.95 0.00 0.00 55.36 53.54 2pk0 s GLN 164 Cb 0.07 -0.03 0.08 0.00 -0.22 0.00 0.00 33.01 32.90 2pk0 s GLN 164 CO 0.22 -0.09 0.74 -1.54 -0.25 0.00 0.00 175.29 174.37 2pk0 s SER 165 N 0.60 -0.43 -0.34 5.90 1.04 -1.26 -3.87 113.70 115.34 2pk0 s SER 165 Ca -0.04 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.00 2pk0 s SER 165 Cb -0.06 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2pk0 s SER 165 CO -0.03 -0.88 1.15 -0.63 0.98 0.00 0.00 173.24 173.82 2pk0 s ILE 166 N -3.51 4.37 0.00 -1.02 1.01 0.13 -3.92 121.20 118.26 2pk0 s ILE 166 Ca 0.04 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2pk0 s ILE 166 Cb -0.02 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2pk0 s ILE 166 CO -0.08 -0.56 0.00 0.61 0.00 0.00 0.00 174.94 174.91 2pk0 n GLY 167 N 4.13 1.03 3.97 6.18 0.00 -1.25 -1.71 105.19 117.53 2pk0 n GLY 167 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 3.04 -0.04 1.61 -0.21 -1.25 -4.35 119.66 118.46 2pk0 s GLN 168 Ca 0.00 -1.07 -0.24 0.00 0.02 0.00 0.00 55.36 54.07 2pk0 s GLN 168 Cb 0.00 -2.76 -0.18 0.00 1.00 0.00 0.00 33.01 31.08 2pk0 s GLN 168 CO 0.00 0.06 1.06 0.00 -2.12 0.00 0.00 175.29 174.29 2pk0 h ALA 169 N 0.95 -0.17 -2.58 6.09 0.00 -1.95 -3.45 119.26 118.15 2pk0 h ALA 169 Ca -0.45 -0.24 -0.50 0.00 0.00 0.00 0.00 54.91 53.72 2pk0 h ALA 169 Cb 1.26 0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.16 2pk0 h ALA 169 CO 0.54 -0.31 0.44 -0.80 0.00 0.00 0.00 179.25 179.12 2pk0 s ASN 170 N -5.52 6.14 0.58 0.00 0.02 -1.26 -5.02 114.94 109.89 2pk0 s ASN 170 Ca -0.14 2.17 -0.20 0.00 -1.02 0.00 0.00 52.86 53.67 2pk0 s ASN 170 Cb 0.01 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.65 2pk0 s ASN 170 CO 0.56 -0.93 1.28 -2.65 0.02 0.00 0.00 177.10 175.39 2pk0 n PRO 171 N -0.75 1.41 -2.98 -0.60 -0.02 -1.26 -4.99 135.00 125.81 2pk0 n PRO 171 Ca 0.09 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2pk0 n PRO 171 Cb 0.50 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.34 4.40 -0.62 -1.45 1.01 -1.26 -5.04 120.40 116.09 2pk0 s VAL 172 Ca 0.75 1.59 0.01 0.00 0.00 0.00 0.00 61.98 64.34 2pk0 s VAL 172 Cb -0.41 -4.03 0.16 0.00 0.00 0.00 0.00 36.38 32.10 2pk0 s VAL 172 CO 0.46 0.35 0.41 -1.61 0.00 0.00 0.00 175.10 174.71 2pk0 s GLU 173 N -1.59 2.40 0.81 2.72 2.02 -1.26 -4.99 118.70 118.80 2pk0 s GLU 173 Ca 0.41 -2.77 -0.11 0.00 0.02 0.00 0.00 54.97 52.51 2pk0 s GLU 173 Cb -0.20 -3.55 0.08 0.00 0.10 0.00 0.00 34.13 30.56 2pk0 s GLU 173 CO 0.24 -1.17 1.09 -2.14 0.02 0.00 0.00 175.26 173.30 2pk0 s PRO 174 N -0.51 1.96 -0.24 0.39 0.02 -1.26 -4.98 135.00 130.38 2pk0 s PRO 174 Ca 0.19 0.87 -0.09 0.00 0.02 0.00 0.00 61.00 61.99 2pk0 s PRO 174 Cb -0.19 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 2pk0 s PRO 174 CO -0.05 -1.76 0.13 -0.51 -0.33 0.00 0.00 177.00 174.48 2pk0 s ASP 175 N -3.60 5.77 -0.13 2.53 1.01 -0.46 -4.91 116.67 116.87 2pk0 s ASP 175 Ca 0.61 -0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.80 2pk0 s ASP 175 Cb -0.16 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2pk0 s ASP 175 CO 0.56 0.03 0.10 -0.76 0.21 0.00 0.00 175.17 175.30 2pk0 s LEU 176 N 1.28 4.11 0.04 1.23 1.02 -1.26 -1.58 118.68 123.53 2pk0 s LEU 176 Ca 0.06 0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.50 2pk0 s LEU 176 Cb -0.14 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 2pk0 s LEU 176 CO 0.06 0.35 0.03 -0.83 0.02 0.00 0.00 176.35 175.97 2pk0 s GLY 177 N -0.66 0.29 -0.02 -3.19 0.00 -0.83 -5.01 107.32 97.91 2pk0 s GLY 177 Ca 0.12 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2pk0 s GLY 177 CO 0.02 -0.92 -0.16 0.14 0.00 0.00 0.00 173.10 172.18 2pk0 s VAL 178 N -2.87 1.33 -0.01 1.40 1.01 -1.26 -1.45 120.40 118.54 2pk0 s VAL 178 Ca -0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2pk0 s VAL 178 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2pk0 s VAL 178 CO -0.06 0.38 0.10 -2.28 0.00 0.00 0.00 175.10 173.24 2pk0 s HIS 179 N -0.20 0.02 0.01 5.22 2.46 -0.98 -5.01 115.29 116.81 2pk0 s HIS 179 Ca 0.02 -0.04 -0.25 0.00 0.47 0.00 0.00 55.06 55.27 2pk0 s HIS 179 Cb -0.08 -0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.28 2pk0 s HIS 179 CO 0.00 -0.18 0.75 -1.17 -2.47 0.00 0.00 174.74 171.67 2pk0 s LEU 180 N -0.84 4.40 -0.11 8.88 2.96 -1.26 -1.96 118.68 130.76 2pk0 s LEU 180 Ca -0.09 1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 55.06 2pk0 s LEU 180 Cb -0.05 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 2pk0 s LEU 180 CO 0.01 -0.04 0.31 -0.76 -1.32 0.00 0.00 176.35 174.55 2pk0 s LEU 181 N 0.26 4.33 0.30 -0.68 1.02 0.94 -5.00 118.68 119.85 2pk0 s LEU 181 Ca 0.39 0.64 0.08 0.00 0.02 0.00 0.00 54.13 55.26 2pk0 s LEU 181 Cb -0.20 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.58 2pk0 s LEU 181 CO 0.22 0.21 0.20 -1.61 0.02 0.00 0.00 176.35 175.38 2pk0 s GLU 182 N -0.20 2.70 0.30 1.70 2.02 -1.26 -4.89 118.70 119.07 2pk0 s GLU 182 Ca 0.19 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 2pk0 s GLU 182 Cb -0.14 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.55 2pk0 s GLU 182 CO 0.07 0.25 1.43 -1.21 0.02 0.00 0.00 175.26 175.82 2pk0 s GLU 183 N -3.88 4.24 0.00 1.61 2.02 -1.26 -2.58 118.70 118.85 2pk0 s GLU 183 Ca 0.36 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.72 2pk0 s GLU 183 Cb -0.06 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.11 2pk0 s GLU 183 CO 0.25 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2pk0 n GLY 184 N 1.49 0.75 3.79 -1.39 0.00 -0.46 -5.03 105.19 104.34 2pk0 n GLY 184 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.65 6.93 -0.23 1.61 1.01 -1.07 -4.80 116.67 117.46 2pk0 s ASP 185 Ca 0.00 1.88 -0.02 0.00 0.71 0.00 0.00 52.55 55.12 2pk0 s ASP 185 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 2pk0 s ASP 185 CO 0.00 -0.37 -0.07 -0.31 0.21 0.00 0.00 175.17 174.63 2pk0 s TYR 186 N -1.82 3.00 -0.02 4.23 2.02 -0.90 -2.02 117.35 121.85 2pk0 s TYR 186 Ca 0.58 -1.39 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 2pk0 s TYR 186 Cb -0.17 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 2pk0 s TYR 186 CO 0.22 -0.69 0.92 -1.17 -1.57 0.00 0.00 175.55 173.26 2pk0 s LEU 187 N 1.37 4.35 -0.31 -1.29 2.96 0.15 -0.16 118.68 125.75 2pk0 s LEU 187 Ca 0.02 1.56 -0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2pk0 s LEU 187 Cb -0.16 -3.47 0.06 0.00 0.50 0.00 0.00 46.19 43.13 2pk0 s LEU 187 CO -0.05 -0.24 0.00 -0.69 -1.32 0.00 0.00 176.35 174.06 2pk0 s VAL 188 N 1.01 2.76 -0.19 1.68 1.01 0.15 -1.01 120.40 125.82 2pk0 s VAL 188 Ca 0.49 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 2pk0 s VAL 188 Cb -0.20 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2pk0 s VAL 188 CO 0.26 -0.21 0.01 -0.69 0.00 0.00 0.00 175.10 174.47 2pk0 s VAL 189 N 1.17 4.15 -0.02 2.92 1.01 -0.19 -0.88 120.40 128.56 2pk0 s VAL 189 Ca -0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 2pk0 s VAL 189 Cb -0.20 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2pk0 s VAL 189 CO -0.03 0.44 0.29 0.54 0.00 0.00 0.00 175.10 176.34 2pk0 s ASN 190 N 0.74 -0.18 0.77 3.32 2.20 -0.34 -0.14 114.94 121.31 2pk0 s ASN 190 Ca 0.01 0.11 -0.11 0.00 -0.94 0.00 0.00 52.86 51.92 2pk0 s ASN 190 Cb -0.14 0.34 0.05 0.00 -2.00 0.00 0.00 41.25 39.50 2pk0 s ASN 190 CO 0.02 -0.40 1.09 -0.94 -2.94 0.00 0.00 177.10 173.94 2pk0 s SER 191 N -1.15 4.77 0.21 3.54 1.04 0.10 -0.88 113.70 121.31 2pk0 s SER 191 Ca -0.12 1.31 0.17 0.00 0.48 0.00 0.00 55.95 57.79 2pk0 s SER 191 Cb -0.05 -2.07 0.84 0.00 0.10 0.00 0.00 66.02 64.84 2pk0 s SER 191 CO 0.03 -1.80 1.53 -0.90 0.98 0.00 0.00 173.24 173.09 2pk0 n ASP 192 N -3.32 0.43 0.23 7.02 5.75 -1.26 -2.26 116.55 123.14 2pk0 n ASP 192 Ca 0.07 0.66 0.16 0.00 -0.01 0.00 0.00 54.79 55.66 2pk0 n ASP 192 Cb 0.56 -0.73 0.62 0.00 -1.03 0.00 0.00 41.12 40.55 2pk0 n ASP 192 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2pk0 h GLY 193 N 0.96 0.00 0.03 6.12 0.00 -1.91 -1.74 103.07 106.54 2pk0 h GLY 193 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2pk0 h GLY 193 CO 0.00 0.00 -0.75 -2.00 0.00 0.00 0.00 176.54 173.79 2pk0 h LEU 194 N 0.00 0.02 -0.12 3.11 5.85 -1.69 -3.36 115.31 119.12 2pk0 h LEU 194 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 2pk0 h LEU 194 Cb 0.48 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2pk0 h LEU 194 CO 0.00 1.30 -0.07 0.35 -0.34 0.00 0.00 178.44 179.68 2pk0 n THR 195 N -4.48 0.00 0.12 1.05 -2.24 -1.21 -0.35 114.28 107.18 2pk0 n THR 195 Ca -0.23 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2pk0 n THR 195 Cb 0.61 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.28 0.00 0.10 3.42 2.35 -1.50 -3.36 115.58 116.87 2pk0 h ASN 196 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 2pk0 h ASN 196 Cb 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 2pk0 h ASN 196 CO 0.00 0.43 -2.19 0.23 -1.65 0.00 0.00 177.43 174.25 2pk0 n MET 197 N -3.09 0.70 -4.25 0.81 2.81 -0.98 -4.97 117.12 108.15 2pk0 n MET 197 Ca -0.01 0.20 -0.35 0.00 -1.81 0.00 0.00 57.70 55.73 2pk0 n MET 197 Cb 0.72 -1.63 -0.09 0.00 -0.71 0.00 0.00 33.22 31.52 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 -6.64 3.78 0.78 4.03 1.02 0.53 -4.95 118.68 117.22 2pk0 s LEU 198 Ca -0.25 0.22 -0.12 0.00 0.02 0.00 0.00 54.13 54.01 2pk0 s LEU 198 Cb 0.08 -1.88 0.06 0.00 0.02 0.00 0.00 46.19 44.47 2pk0 s LEU 198 CO 0.71 0.39 1.10 -0.94 0.02 0.00 0.00 176.35 177.63 2pk0 s SER 199 N -0.91 4.65 0.12 2.29 1.04 -1.26 -4.47 113.70 115.16 2pk0 s SER 199 Ca 0.14 1.21 -0.17 0.00 0.48 0.00 0.00 55.95 57.61 2pk0 s SER 199 Cb -0.11 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 2pk0 s SER 199 CO 0.03 -1.86 1.66 0.78 0.98 0.00 0.00 173.24 174.83 2pk0 h ASN 200 N -1.01 0.47 -0.68 7.02 2.35 -1.99 -2.33 115.58 119.40 2pk0 h ASN 200 Ca -0.47 -0.17 0.10 0.00 -0.55 0.00 0.00 56.30 55.21 2pk0 h ASN 200 Cb 1.27 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2pk0 h ASN 200 CO 0.61 0.52 0.45 0.00 -1.65 0.00 0.00 177.43 177.36 2pk0 h ALA 201 N 0.97 1.91 0.59 -0.83 0.00 -1.95 -2.44 119.26 117.51 2pk0 h ALA 201 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2pk0 h ALA 201 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pk0 h ALA 201 CO -0.01 -0.05 -0.28 -0.44 0.00 0.00 0.00 179.25 178.47 2pk0 h ASP 202 N 0.55 -0.67 -0.79 0.00 3.32 -1.80 -1.97 116.42 115.06 2pk0 h ASP 202 Ca 0.32 -0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.53 2pk0 h ASP 202 Cb 0.50 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 40.12 2pk0 h ASP 202 CO -0.10 -0.43 0.29 0.40 -1.72 0.00 0.00 179.24 177.68 2pk0 h ILE 203 N -0.87 0.57 0.10 0.35 2.04 -1.26 -2.31 117.51 116.14 2pk0 h ILE 203 Ca -0.08 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2pk0 h ILE 203 Cb 0.64 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2pk0 h ILE 203 CO 0.13 0.07 -0.12 0.00 0.00 0.00 0.00 178.15 178.23 2pk0 h ALA 204 N 1.61 -0.22 -0.35 1.87 0.00 -1.38 -2.35 119.26 118.43 2pk0 h ALA 204 Ca 0.45 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2pk0 h ALA 204 Cb 0.75 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2pk0 h ALA 204 CO -0.46 -0.65 -0.18 1.15 0.00 0.00 0.00 179.25 179.11 2pk0 h THR 205 N -0.26 0.47 -1.00 0.00 2.02 -0.82 -1.85 112.91 111.47 2pk0 h THR 205 Ca 0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.32 2pk0 h THR 205 Cb 0.26 0.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.06 2pk0 h THR 205 CO -0.05 0.00 0.63 0.58 0.37 0.00 0.00 175.52 177.05 2pk0 h VAL 206 N -0.12 0.89 0.00 3.16 2.07 -1.31 -2.60 116.25 118.34 2pk0 h VAL 206 Ca 0.18 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 2pk0 h VAL 206 Cb 0.39 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2pk0 h VAL 206 CO -0.43 0.17 -0.32 -0.07 0.02 0.00 0.00 177.57 176.95 2pk0 h LEU 207 N 0.95 0.00 -0.56 2.57 3.38 -0.80 -3.17 115.31 117.67 2pk0 h LEU 207 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2pk0 h LEU 207 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2pk0 h LEU 207 CO -0.28 0.32 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2pk0 n THR 208 N -3.24 0.13 -1.29 0.22 -2.24 -0.91 -4.91 114.28 102.03 2pk0 n THR 208 Ca 0.02 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 2pk0 n THR 208 Cb 0.60 0.05 0.13 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.87 1.40 -1.02 -0.78 -0.21 -1.20 -4.99 119.66 110.98 2pk0 s GLN 209 Ca 0.27 0.75 -0.11 0.00 0.02 0.00 0.00 55.36 56.28 2pk0 s GLN 209 Cb 0.13 -1.83 0.25 0.00 1.00 0.00 0.00 33.01 32.56 2pk0 s GLN 209 CO 0.21 -2.13 1.01 -1.83 -2.12 0.00 0.00 175.29 170.44 2pk0 s GLU 210 N -4.99 3.98 0.25 2.91 4.04 -1.26 -4.97 118.70 118.65 2pk0 s GLU 210 Ca 0.63 -2.88 -0.20 0.00 0.04 0.00 0.00 54.97 52.56 2pk0 s GLU 210 Cb -0.17 -4.55 0.07 0.00 0.02 0.00 0.00 34.13 29.49 2pk0 s GLU 210 CO 0.56 -1.30 0.95 -1.59 -1.84 0.00 0.00 175.26 172.04 2pk0 s LYS 211 N -0.50 1.62 0.81 -4.83 -2.85 -1.26 -5.18 119.74 107.55 2pk0 s LYS 211 Ca 0.27 -1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 54.10 2pk0 s LYS 211 Cb -0.09 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.21 2pk0 s LYS 211 CO -0.08 -0.76 1.09 0.95 0.10 0.00 0.00 175.35 176.65 2pk0 s THR 212 N -2.29 3.12 0.12 3.79 -4.23 -1.26 -4.89 115.64 110.00 2pk0 s THR 212 Ca 0.19 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.90 2pk0 s THR 212 Cb -0.03 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 2pk0 s THR 212 CO 0.07 -0.48 1.64 0.25 -0.54 0.00 0.00 174.62 175.56 2pk0 h LEU 213 N -1.26 0.54 -1.02 4.79 5.85 -2.00 -2.51 115.31 119.72 2pk0 h LEU 213 Ca -0.45 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.11 2pk0 h LEU 213 Cb 1.25 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2pk0 h LEU 213 CO 0.52 0.61 0.65 0.44 -0.34 0.00 0.00 178.44 180.33 2pk0 h ASP 214 N 0.45 1.07 1.27 1.25 3.32 -1.96 -1.21 116.42 120.61 2pk0 h ASP 214 Ca 0.12 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2pk0 h ASP 214 Cb 0.26 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2pk0 h ASP 214 CO -0.00 0.71 -0.04 0.44 -1.72 0.00 0.00 179.24 178.63 2pk0 h ASP 215 N 1.23 0.00 0.21 6.45 3.32 -1.90 -1.97 116.42 123.76 2pk0 h ASP 215 Ca 0.41 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.17 2pk0 h ASP 215 Cb 0.08 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.66 2pk0 h ASP 215 CO -0.15 0.04 -1.26 0.11 -1.72 0.00 0.00 179.24 176.25 2pk0 h LYS 216 N 0.00 0.56 -0.66 3.56 1.57 -0.82 -1.60 116.57 119.19 2pk0 h LYS 216 Ca -0.00 -0.79 0.01 0.00 -1.87 0.00 0.00 60.65 58.00 2pk0 h LYS 216 Cb 0.68 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2pk0 h LYS 216 CO 0.00 1.36 0.43 -0.97 -0.57 0.00 0.00 179.45 179.70 2pk0 h ASN 217 N 0.24 0.76 -0.29 0.86 -0.73 -1.00 -0.71 115.58 114.70 2pk0 h ASN 217 Ca -0.19 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 57.92 2pk0 h ASN 217 Cb 1.94 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 40.32 2pk0 h ASN 217 CO 0.24 0.55 0.08 -0.61 -0.37 0.00 0.00 177.43 177.32 2pk0 h GLN 218 N 0.89 0.55 0.00 6.67 5.75 -1.37 -1.85 115.11 125.75 2pk0 h GLN 218 Ca 0.24 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2pk0 h GLN 218 Cb -0.09 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 2pk0 h GLN 218 CO -0.05 0.52 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.06 2pk0 h ASP 219 N 0.54 0.00 0.02 -0.69 3.32 -0.48 -1.64 116.42 117.48 2pk0 h ASP 219 Ca 0.12 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.95 2pk0 h ASP 219 Cb 0.23 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.80 2pk0 h ASP 219 CO -0.00 0.14 -0.88 -0.07 -1.72 0.00 0.00 179.24 176.71 2pk0 h LEU 220 N 0.00 0.75 -0.05 1.55 3.38 -0.32 -2.97 115.31 117.65 2pk0 h LEU 220 Ca -0.00 -0.76 -0.11 0.00 0.09 0.00 0.00 57.88 57.09 2pk0 h LEU 220 Cb 0.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2pk0 h LEU 220 CO 0.02 1.42 -0.54 0.16 0.09 0.00 0.00 178.44 179.58 2pk0 h ILE 221 N 0.16 0.94 -0.42 1.22 -0.00 -1.42 -2.43 117.51 115.56 2pk0 h ILE 221 Ca -0.12 -2.30 -0.08 0.00 -0.00 0.00 0.00 64.86 62.36 2pk0 h ILE 221 Cb 1.57 2.44 -0.01 0.00 -0.00 0.00 0.00 36.82 40.82 2pk0 h ILE 221 CO 0.17 0.53 -0.06 0.74 -0.00 0.00 0.00 178.15 179.54 2pk0 h THR 222 N 0.00 1.27 -0.42 0.16 2.02 -1.38 -1.29 112.91 113.28 2pk0 h THR 222 Ca -0.01 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 65.92 2pk0 h THR 222 Cb 1.40 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2pk0 h THR 222 CO 0.07 0.38 -0.23 0.25 0.37 0.00 0.00 175.52 176.36 2pk0 h LEU 223 N 0.61 0.92 -0.86 2.58 6.46 -1.56 0.13 115.31 123.60 2pk0 h LEU 223 Ca 0.11 -0.41 0.11 0.00 -0.12 0.00 0.00 57.88 57.57 2pk0 h LEU 223 Cb 0.57 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.17 2pk0 h LEU 223 CO 0.03 1.14 0.50 0.00 -0.62 0.00 0.00 178.44 179.49 2pk0 h ALA 224 N 0.82 1.26 -0.30 1.25 0.00 -1.38 0.18 119.26 121.09 2pk0 h ALA 224 Ca 0.09 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2pk0 h ALA 224 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pk0 h ALA 224 CO 0.07 0.09 -0.51 -0.91 0.00 0.00 0.00 179.25 177.99 2pk0 h ASN 225 N 0.81 0.97 0.17 0.00 2.35 -0.99 -1.54 115.58 117.34 2pk0 h ASN 225 Ca 0.43 -0.52 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2pk0 h ASN 225 Cb 0.43 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2pk0 h ASN 225 CO -0.27 1.31 -0.19 -0.74 -1.65 0.00 0.00 177.43 175.88 2pk0 h HIS 226 N 0.67 0.05 0.00 1.19 2.76 -0.33 -1.55 115.15 117.94 2pk0 h HIS 226 Ca 0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2pk0 h HIS 226 Cb 1.12 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2pk0 h HIS 226 CO 0.07 0.24 0.00 0.00 -1.30 0.00 0.00 177.93 176.95 2pk0 h ARG 227 N 0.05 0.00 0.00 5.26 2.47 -0.53 -3.46 114.38 118.17 2pk0 h ARG 227 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2pk0 h ARG 227 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2pk0 h ARG 227 CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 2pk0 n GLY 228 N 0.45 1.79 3.68 0.04 0.00 -0.58 -4.95 105.19 105.61 2pk0 n GLY 228 Ca 0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 0.13 -0.02 0.00 -0.59 -4.45 105.19 99.85 2pk0 n GLY 229 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.21 0.55 -4.02 0.99 4.77 -1.26 0.26 117.00 114.08 2pk0 n LEU 230 Ca -0.27 0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 2pk0 n LEU 230 Cb 0.67 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2pk0 n LEU 230 CO 0.68 -0.66 0.05 -0.62 -1.33 0.00 0.00 177.39 175.51 2pk0 s ASP 231 N -4.03 -0.02 0.36 -1.43 3.68 -1.26 -4.56 116.67 109.42 2pk0 s ASP 231 Ca 0.02 -0.99 -0.28 0.00 2.13 0.00 0.00 52.55 53.43 2pk0 s ASP 231 Cb 0.08 0.51 -0.11 0.00 -1.45 0.00 0.00 42.92 41.95 2pk0 s ASP 231 CO 0.30 -1.02 1.50 0.20 0.13 0.00 0.00 175.17 176.28 2pk0 s ASN 232 N -3.03 6.36 -0.18 -0.34 0.02 -1.25 -4.29 114.94 112.23 2pk0 s ASN 232 Ca 0.24 3.03 0.01 0.00 -1.02 0.00 0.00 52.86 55.11 2pk0 s ASN 232 Cb 0.02 -2.66 0.02 0.00 0.02 0.00 0.00 41.25 38.64 2pk0 s ASN 232 CO 0.07 -0.87 -0.19 -0.63 0.02 0.00 0.00 177.10 175.50 2pk0 s ILE 233 N -0.98 2.19 -0.05 0.60 1.01 -0.06 -3.70 121.20 120.20 2pk0 s ILE 233 Ca 0.54 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 2pk0 s ILE 233 Cb -0.46 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2pk0 s ILE 233 CO 0.61 0.53 0.11 -0.89 0.00 0.00 0.00 174.94 175.30 2pk0 s THR 234 N 1.29 -0.11 -0.03 2.92 2.01 -1.26 -0.75 115.64 119.70 2pk0 s THR 234 Ca 0.05 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 2pk0 s THR 234 Cb -0.13 -0.20 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2pk0 s THR 234 CO -0.12 0.11 0.03 -0.69 -0.69 0.00 0.00 174.62 173.27 2pk0 s VAL 235 N 1.59 -0.03 -0.20 3.82 1.01 -0.41 -0.72 120.40 125.44 2pk0 s VAL 235 Ca -0.04 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 2pk0 s VAL 235 Cb -0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2pk0 s VAL 235 CO -0.05 0.12 0.13 0.00 0.00 0.00 0.00 175.10 175.30 2pk0 s ALA 236 N 1.32 3.67 -0.07 5.51 0.00 0.80 -1.73 121.76 131.27 2pk0 s ALA 236 Ca -0.06 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2pk0 s ALA 236 Cb -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2pk0 s ALA 236 CO -0.03 0.13 -0.06 -0.51 0.00 0.00 0.00 175.76 175.29 2pk0 s LEU 237 N 0.43 3.23 -0.18 0.00 1.43 -0.02 -1.02 118.68 122.55 2pk0 s LEU 237 Ca 0.08 -0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2pk0 s LEU 237 Cb -0.11 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.44 2pk0 s LEU 237 CO -0.01 0.36 -0.04 -0.69 0.23 0.00 0.00 176.35 176.20 2pk0 s VAL 238 N -0.83 1.11 -0.09 -1.59 1.01 -0.18 -0.80 120.40 119.03 2pk0 s VAL 238 Ca 0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2pk0 s VAL 238 Cb -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2pk0 s VAL 238 CO 0.02 0.05 0.09 -0.47 0.00 0.00 0.00 175.10 174.78 2pk0 s TYR 239 N 1.62 3.40 -0.27 5.22 5.04 -0.24 0.31 117.35 132.43 2pk0 s TYR 239 Ca -0.01 0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 54.92 2pk0 s TYR 239 Cb -0.16 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.29 2pk0 s TYR 239 CO -0.07 0.62 0.07 0.08 -1.34 0.00 0.00 175.55 174.90 2pk0 s VAL 240 N -1.02 4.05 0.00 3.14 1.01 -0.86 -1.33 120.40 125.40 2pk0 s VAL 240 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2pk0 s VAL 240 Cb -0.12 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2pk0 s VAL 240 CO 0.05 0.21 0.00 1.21 0.00 0.00 0.00 175.10 176.58