#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk0 s ARG -3 N 0.00 3.74 0.10 0.00 0.52 -1.26 -4.96 118.95 117.09 2pk0 s ARG -3 Ca 0.00 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2pk0 s ARG -3 Cb 0.00 -3.84 -0.07 0.00 0.52 0.00 0.00 34.95 31.57 2pk0 s ARG -3 CO 0.00 -1.01 1.23 0.15 0.02 0.00 0.00 175.30 175.68 2pk0 s LYS -2 N 3.51 4.43 0.03 3.54 -0.14 -1.26 -3.17 119.74 126.68 2pk0 s LYS -2 Ca 0.37 1.84 0.01 0.00 -1.36 0.00 0.00 55.97 56.83 2pk0 s LYS -2 Cb -0.12 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 32.71 2pk0 s LYS -2 CO 0.21 -0.24 -0.05 0.15 -0.76 0.00 0.00 175.35 174.66 2pk0 s LYS -1 N 0.76 0.38 -0.45 1.68 -0.14 -1.26 -5.01 119.74 115.69 2pk0 s LYS -1 Ca 0.58 -0.65 -0.24 0.00 -1.36 0.00 0.00 55.97 54.29 2pk0 s LYS -1 Cb -0.31 -0.02 0.03 0.00 -1.68 0.00 0.00 37.83 35.84 2pk0 s LYS -1 CO 0.31 -0.02 0.86 -0.47 -0.76 0.00 0.00 175.35 175.27 2pk0 s TYR 0 N -1.43 2.96 -0.26 3.18 5.04 -1.26 -5.01 117.35 120.56 2pk0 s TYR 0 Ca -0.14 0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.71 2pk0 s TYR 0 Cb -0.10 -3.82 -0.01 0.00 0.35 0.00 0.00 41.96 38.39 2pk0 s TYR 0 CO -0.01 -1.04 0.05 -1.64 -1.34 0.00 0.00 175.55 171.57 2pk0 s MET 1 N 3.53 3.33 0.01 4.97 -1.94 -1.26 -2.43 119.30 125.50 2pk0 s MET 1 Ca 0.34 -0.68 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 2pk0 s MET 1 Cb -0.11 -3.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 2pk0 s MET 1 CO 0.24 -0.30 0.61 -2.00 -0.01 0.00 0.00 175.02 173.56 2pk0 s GLU 2 N 1.53 4.32 -0.07 2.03 2.12 -0.76 -4.91 118.70 122.96 2pk0 s GLU 2 Ca 0.04 0.76 0.03 0.00 0.36 0.00 0.00 54.97 56.16 2pk0 s GLU 2 Cb -0.16 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2pk0 s GLU 2 CO 0.01 0.38 -0.15 0.42 -0.54 0.00 0.00 175.26 175.38 2pk0 s ILE 3 N -0.25 2.92 -0.04 -3.70 1.01 -1.26 -1.41 121.20 118.48 2pk0 s ILE 3 Ca 0.31 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2pk0 s ILE 3 Cb -0.18 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.15 2pk0 s ILE 3 CO 0.18 0.57 -0.04 -0.55 0.00 0.00 0.00 174.94 175.10 2pk0 s SER 4 N -0.33 0.80 -0.07 3.58 0.15 -0.42 -5.00 113.70 112.41 2pk0 s SER 4 Ca 0.03 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.61 2pk0 s SER 4 Cb -0.13 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2pk0 s SER 4 CO 0.02 -0.06 -0.18 -0.76 1.20 0.00 0.00 173.24 173.46 2pk0 s LEU 5 N 0.89 1.89 -0.09 3.45 1.43 -1.26 -1.22 118.68 123.77 2pk0 s LEU 5 Ca -0.11 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2pk0 s LEU 5 Cb -0.14 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.02 2pk0 s LEU 5 CO -0.00 0.12 0.23 -0.22 0.23 0.00 0.00 176.35 176.71 2pk0 s LEU 6 N 0.32 0.89 0.12 1.79 2.96 -0.64 -5.04 118.68 119.09 2pk0 s LEU 6 Ca -0.12 0.47 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 2pk0 s LEU 6 Cb -0.15 0.75 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 2pk0 s LEU 6 CO 0.05 -0.11 -0.26 0.28 -1.32 0.00 0.00 176.35 174.99 2pk0 s THR 7 N 0.52 2.15 -0.03 3.68 -1.32 -1.26 -1.04 115.64 118.34 2pk0 s THR 7 Ca -0.03 -1.71 -0.06 0.00 -1.21 0.00 0.00 61.69 58.68 2pk0 s THR 7 Cb -0.05 -1.91 0.01 0.00 -1.51 0.00 0.00 72.50 69.04 2pk0 s THR 7 CO -0.03 0.07 0.14 -0.62 -2.21 0.00 0.00 174.62 171.97 2pk0 s ASP 8 N -2.01 -0.08 0.28 8.08 2.15 0.30 -5.00 116.67 120.39 2pk0 s ASP 8 Ca 0.12 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.20 2pk0 s ASP 8 Cb -0.10 0.27 0.41 0.00 -0.30 0.00 0.00 42.92 43.20 2pk0 s ASP 8 CO 0.06 -0.18 1.78 -0.29 -0.17 0.00 0.00 175.17 176.37 2pk0 h ILE 9 N 4.65 1.23 0.00 4.11 2.10 -1.92 -1.78 117.51 125.90 2pk0 h ILE 9 Ca -0.27 -0.98 0.00 0.00 1.08 0.00 0.00 64.86 64.69 2pk0 h ILE 9 Cb 1.20 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2pk0 h ILE 9 CO 0.41 0.34 0.00 0.61 -1.08 0.00 0.00 178.15 178.43 2pk0 n GLY 10 N -0.67 0.41 0.09 8.18 0.00 -1.26 -3.66 105.19 108.28 2pk0 n GLY 10 Ca 0.02 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2pk0 n GLY 10 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pk0 h GLN 11 N 0.00 0.15 0.00 1.61 1.08 -1.06 -3.39 115.11 113.50 2pk0 h GLN 11 Ca 0.00 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 56.92 2pk0 h GLN 11 Cb 0.00 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2pk0 h GLN 11 CO 0.00 1.07 -1.73 0.54 -0.95 0.00 0.00 178.83 177.75 2pk0 n ARG 12 N -3.50 0.70 -3.37 1.46 5.12 -0.99 -4.99 116.66 111.09 2pk0 n ARG 12 Ca -0.04 -0.11 -0.26 0.00 -1.93 0.00 0.00 57.85 55.51 2pk0 n ARG 12 Cb 0.93 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 30.86 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 -2.90 3.54 0.00 5.56 0.52 -1.26 -5.00 118.95 119.41 2pk0 s ARG 13 Ca -0.06 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 2pk0 s ARG 13 Cb 0.08 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2pk0 s ARG 13 CO 0.61 0.18 0.40 -1.13 0.02 0.00 0.00 175.30 175.39 2pk0 n SER 14 N -1.41 0.81 -4.09 0.23 3.41 -1.26 -4.76 113.62 106.55 2pk0 n SER 14 Ca -0.04 -0.90 -0.24 0.00 -0.26 0.00 0.00 58.87 57.43 2pk0 n SER 14 Cb 0.55 0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 64.72 2pk0 n SER 14 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pk0 s ASN 15 N -0.62 1.87 -0.28 4.04 2.47 -1.26 -5.12 114.94 116.04 2pk0 s ASN 15 Ca 0.02 -0.31 -0.18 0.00 0.42 0.00 0.00 52.86 52.81 2pk0 s ASN 15 Cb 0.02 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 39.23 2pk0 s ASN 15 CO 0.06 0.11 0.54 0.21 -3.72 0.00 0.00 177.10 174.30 2pk0 s ASN 16 N 0.17 6.43 0.00 -4.21 3.84 -1.26 -4.92 114.94 114.99 2pk0 s ASN 16 Ca -0.05 0.44 0.15 0.00 0.21 0.00 0.00 52.86 53.61 2pk0 s ASN 16 Cb -0.11 -2.29 0.03 0.00 -0.55 0.00 0.00 41.25 38.33 2pk0 s ASN 16 CO 0.02 -0.35 0.85 0.00 -2.79 0.00 0.00 177.10 174.83 2pk0 n GLN 17 N 5.63 1.59 -1.99 0.43 6.02 -1.26 -4.61 117.38 123.19 2pk0 n GLN 17 Ca -0.03 -0.95 -0.31 0.00 -0.01 0.00 0.00 57.00 55.69 2pk0 n GLN 17 Cb 0.49 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.60 6.16 -0.04 1.08 1.01 -1.26 -0.74 116.67 121.29 2pk0 s ASP 18 Ca 0.14 1.53 -0.07 0.00 0.71 0.00 0.00 52.55 54.86 2pk0 s ASP 18 Cb 0.12 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.57 2pk0 s ASP 18 CO 0.31 -0.91 0.16 0.12 0.21 0.00 0.00 175.17 175.06 2pk0 s PHE 19 N -2.93 -0.10 -0.04 4.23 5.36 0.10 -4.87 117.98 119.73 2pk0 s PHE 19 Ca 0.57 0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 56.74 2pk0 s PHE 19 Cb -0.12 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 2pk0 s PHE 19 CO 0.46 -0.17 0.11 -1.50 -1.46 0.00 0.00 175.22 172.66 2pk0 s ILE 20 N -0.49 -0.01 0.26 3.12 2.07 -1.26 -0.54 121.20 124.35 2pk0 s ILE 20 Ca -0.06 0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 59.07 2pk0 s ILE 20 Cb -0.04 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.39 2pk0 s ILE 20 CO 0.01 0.01 0.55 0.21 -1.91 0.00 0.00 174.94 173.81 2pk0 s ASN 21 N 0.25 -0.11 0.13 4.50 3.84 -0.98 -5.04 114.94 117.54 2pk0 s ASN 21 Ca -0.02 -0.87 0.08 0.00 0.21 0.00 0.00 52.86 52.27 2pk0 s ASN 21 Cb -0.03 0.63 -0.04 0.00 -0.55 0.00 0.00 41.25 41.27 2pk0 s ASN 21 CO -0.01 -1.21 -0.19 0.00 -2.79 0.00 0.00 177.10 172.90 2pk0 s GLN 22 N -3.93 1.18 0.23 0.43 -2.07 -1.26 -1.17 119.66 113.08 2pk0 s GLN 22 Ca 0.20 -1.27 -0.06 0.00 -1.82 0.00 0.00 55.36 52.40 2pk0 s GLN 22 Cb -0.02 -1.34 -0.02 0.00 -1.09 0.00 0.00 33.01 30.54 2pk0 s GLN 22 CO 0.09 0.29 0.31 -0.06 -1.32 0.00 0.00 175.29 174.60 2pk0 s PHE 23 N -1.60 0.79 -0.12 9.60 0.40 0.58 -4.98 117.98 122.66 2pk0 s PHE 23 Ca 0.11 -1.08 -0.09 0.00 -0.60 0.00 0.00 56.93 55.27 2pk0 s PHE 23 Cb -0.08 -0.20 0.04 0.00 0.51 0.00 0.00 43.02 43.29 2pk0 s PHE 23 CO 0.05 -0.82 0.30 -2.00 0.70 0.00 0.00 175.22 173.45 2pk0 s GLU 24 N -4.05 0.32 0.36 0.44 2.12 -1.26 -0.40 118.70 116.23 2pk0 s GLU 24 Ca 0.31 0.51 -0.00 0.00 0.36 0.00 0.00 54.97 56.15 2pk0 s GLU 24 Cb 0.03 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.55 2pk0 s GLU 24 CO 0.11 -0.10 0.49 0.27 -0.54 0.00 0.00 175.26 175.50 2pk0 n ASN 25 N 3.52 0.63 0.17 -1.70 6.94 -0.91 -4.29 115.26 119.62 2pk0 n ASN 25 Ca -0.18 -1.54 0.13 0.00 -0.02 0.00 0.00 54.58 52.98 2pk0 n ASN 25 Cb 0.56 -0.32 0.47 0.00 -2.36 0.00 0.00 39.78 38.13 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 -0.76 -3.83 1.57 -1.48 -2.24 116.57 109.83 2pk0 h LYS 26 Ca -0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.27 2pk0 h LYS 26 Cb 0.59 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.69 2pk0 h LYS 26 CO 0.17 0.00 0.37 0.00 -0.57 0.00 0.00 179.45 179.42 2pk0 n ALA 27 N -1.89 4.96 -1.01 3.86 0.00 -1.26 -4.95 120.51 120.22 2pk0 n ALA 27 Ca 0.03 -2.81 -0.00 0.00 0.00 0.00 0.00 53.44 50.66 2pk0 n ALA 27 Cb 0.34 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.89 0.20 3.59 0.00 0.00 -0.84 -4.93 105.19 102.31 2pk0 n GLY 28 Ca 0.48 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.38 4.74 0.66 1.61 1.01 -1.26 -4.80 120.40 120.98 2pk0 s VAL 29 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 2pk0 s VAL 29 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2pk0 s VAL 29 CO 0.00 -0.43 1.12 -2.16 0.00 0.00 0.00 175.10 173.63 2pk0 s PRO 30 N 3.09 2.75 -0.02 2.72 0.04 -1.26 -2.13 135.00 140.19 2pk0 s PRO 30 Ca 0.31 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2pk0 s PRO 30 Cb -0.13 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2pk0 s PRO 30 CO 0.17 -1.30 0.02 -1.17 0.04 0.00 0.00 177.00 174.76 2pk0 s LEU 31 N -4.89 1.27 -0.13 -3.56 2.96 0.46 -2.98 118.68 111.81 2pk0 s LEU 31 Ca 0.67 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 2pk0 s LEU 31 Cb -0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 2pk0 s LEU 31 CO 0.42 -0.10 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.70 2pk0 s ILE 32 N 0.86 4.08 -0.12 6.68 1.01 0.07 -0.30 121.20 133.48 2pk0 s ILE 32 Ca -0.07 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2pk0 s ILE 32 Cb -0.11 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.62 2pk0 s ILE 32 CO -0.02 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 2pk0 s ILE 33 N -0.04 1.28 -0.03 2.92 1.01 -0.32 -1.25 121.20 124.77 2pk0 s ILE 33 Ca 0.02 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2pk0 s ILE 33 Cb -0.13 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2pk0 s ILE 33 CO 0.02 0.41 -0.09 -0.22 0.00 0.00 0.00 174.94 175.06 2pk0 s LEU 34 N 1.37 3.05 -0.08 2.97 0.20 -0.07 -2.31 118.68 123.81 2pk0 s LEU 34 Ca 0.00 -0.14 -0.04 0.00 0.69 0.00 0.00 54.13 54.65 2pk0 s LEU 34 Cb -0.13 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.96 2pk0 s LEU 34 CO -0.06 0.32 0.18 0.00 -0.29 0.00 0.00 176.35 176.50 2pk0 s ALA 35 N -0.88 -0.36 -0.43 5.97 0.00 0.30 -1.15 121.76 125.21 2pk0 s ALA 35 Ca 0.14 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 2pk0 s ALA 35 Cb -0.11 -0.52 0.10 0.00 0.00 0.00 0.00 23.12 22.58 2pk0 s ALA 35 CO 0.04 -0.18 0.27 0.34 0.00 0.00 0.00 175.76 176.23 2pk0 s ASP 36 N 1.23 5.57 0.67 0.00 -1.08 -1.22 0.03 116.67 121.86 2pk0 s ASP 36 Ca -0.09 -1.71 -0.14 0.00 -0.52 0.00 0.00 52.55 50.09 2pk0 s ASP 36 Cb -0.11 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 2pk0 s ASP 36 CO -0.07 -0.58 1.10 -0.83 0.52 0.00 0.00 175.17 175.31 2pk0 s GLY 37 N 2.22 2.07 0.01 2.66 0.00 0.09 -2.09 107.32 112.27 2pk0 s GLY 37 Ca 0.04 0.47 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 2pk0 s GLY 37 CO 0.00 0.82 0.02 -3.16 0.00 0.00 0.00 173.10 170.78 2pk0 s MET 38 N -4.23 0.27 0.00 2.90 0.23 0.10 -4.76 119.30 113.81 2pk0 s MET 38 Ca 0.65 -0.39 0.00 0.00 -1.03 0.00 0.00 55.69 54.92 2pk0 s MET 38 Cb -0.19 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.21 2pk0 s MET 38 CO 0.43 -0.05 0.00 0.41 -2.03 0.00 0.00 175.02 173.78 2pk0 n GLY 39 N 1.97 -1.73 0.00 3.16 0.00 -1.26 -1.88 105.19 105.44 2pk0 n GLY 39 Ca -0.21 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.73 0.00 -0.02 0.00 -1.26 -4.85 105.19 97.33 2pk0 n GLY 40 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2pk0 n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pk0 n HIS 41 N 0.00 0.00 -0.32 1.61 -0.00 -1.26 -4.69 115.22 110.56 2pk0 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2pk0 n HIS 41 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2pk0 n HIS 41 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2pk0 n ARG 42 N -0.65 1.89 -0.06 -1.40 1.74 -1.26 -4.88 116.66 112.04 2pk0 n ARG 42 Ca 0.00 -1.14 -0.10 0.00 -0.77 0.00 0.00 57.85 55.84 2pk0 n ARG 42 Cb 0.00 -0.84 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 2pk0 n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pk0 h ALA 43 N 0.00 0.29 -1.00 7.54 0.00 -1.84 -2.84 119.26 121.42 2pk0 h ALA 43 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2pk0 h ALA 43 Cb 0.63 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2pk0 h ALA 43 CO 0.00 -0.15 0.65 0.78 0.00 0.00 0.00 179.25 180.52 2pk0 h GLY 44 N 0.24 1.49 0.35 0.00 0.00 -1.87 -1.22 103.07 102.06 2pk0 h GLY 44 Ca 0.08 -0.48 0.06 0.00 0.00 0.00 0.00 47.33 46.99 2pk0 h GLY 44 CO -0.01 0.38 -0.10 3.43 0.00 0.00 0.00 176.54 180.23 2pk0 h ASN 45 N 1.21 -0.36 0.38 0.19 4.21 -1.73 -2.58 115.58 116.90 2pk0 h ASN 45 Ca 0.41 0.10 -0.02 0.00 1.21 0.00 0.00 56.30 58.00 2pk0 h ASN 45 Cb 0.09 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2pk0 h ASN 45 CO -0.15 -0.13 -0.18 0.40 -1.29 0.00 0.00 177.43 176.07 2pk0 h ILE 46 N -0.04 0.63 -0.22 2.81 1.08 -1.05 -0.35 117.51 120.37 2pk0 h ILE 46 Ca 0.15 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2pk0 h ILE 46 Cb 0.27 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 2pk0 h ILE 46 CO -0.32 0.05 -0.04 0.00 -0.69 0.00 0.00 178.15 177.14 2pk0 h ALA 47 N -0.11 0.16 0.01 1.87 0.00 -1.32 0.18 119.26 120.05 2pk0 h ALA 47 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pk0 h ALA 47 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2pk0 h ALA 47 CO 0.09 -0.46 -0.01 0.66 0.00 0.00 0.00 179.25 179.53 2pk0 h SER 48 N 0.01 -0.02 -0.50 0.00 4.64 -1.46 -2.15 113.55 114.07 2pk0 h SER 48 Ca 0.11 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2pk0 h SER 48 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2pk0 h SER 48 CO -0.22 0.15 0.32 -0.08 -0.87 0.00 0.00 176.83 176.14 2pk0 h GLU 49 N -0.18 0.67 -0.25 4.77 4.81 -0.88 -2.84 114.58 120.69 2pk0 h GLU 49 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2pk0 h GLU 49 Cb 0.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pk0 h GLU 49 CO 0.00 0.46 0.12 1.98 -0.73 0.00 0.00 179.01 180.84 2pk0 h MET 50 N 0.68 0.36 0.14 1.92 4.05 -0.67 -1.17 114.93 120.24 2pk0 h MET 50 Ca 0.18 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 2pk0 h MET 50 Cb -0.06 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 2pk0 h MET 50 CO -0.04 0.36 -0.22 1.15 0.23 0.00 0.00 176.91 178.39 2pk0 h THR 51 N 0.27 0.51 -0.32 -0.77 2.02 -1.33 0.18 112.91 113.47 2pk0 h THR 51 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2pk0 h THR 51 Cb 0.12 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2pk0 h THR 51 CO -0.01 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.65 2pk0 h VAL 52 N -0.43 1.05 -0.13 3.16 2.07 -1.45 -0.81 116.25 119.71 2pk0 h VAL 52 Ca 0.02 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 2pk0 h VAL 52 Cb 0.44 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2pk0 h VAL 52 CO -0.11 0.07 -0.58 0.74 0.02 0.00 0.00 177.57 177.71 2pk0 h THR 53 N 0.39 1.35 -0.06 2.57 2.02 -1.07 0.09 112.91 118.21 2pk0 h THR 53 Ca 0.12 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.39 2pk0 h THR 53 Cb -0.01 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2pk0 h THR 53 CO -0.05 0.57 -0.08 0.44 0.37 0.00 0.00 175.52 176.77 2pk0 h ASP 54 N 0.31 0.18 -0.26 4.18 3.32 -0.50 -2.02 116.42 121.63 2pk0 h ASP 54 Ca -0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 2pk0 h ASP 54 Cb 1.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2pk0 h ASP 54 CO 0.10 0.66 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.00 2pk0 h LEU 55 N -0.30 0.73 -0.99 1.55 4.07 -1.15 -2.68 115.31 116.55 2pk0 h LEU 55 Ca 0.01 -0.25 -0.08 0.00 0.08 0.00 0.00 57.88 57.63 2pk0 h LEU 55 Cb 0.61 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2pk0 h LEU 55 CO 0.02 0.92 -0.17 1.23 -1.08 0.00 0.00 178.44 179.37 2pk0 h GLY 56 N 0.98 0.58 1.57 0.83 0.00 -1.01 0.21 103.07 106.24 2pk0 h GLY 56 Ca 0.09 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.76 2pk0 h GLY 56 CO 0.05 0.40 -0.96 0.23 0.00 0.00 0.00 176.54 176.26 2pk0 h SER 57 N 0.49 0.50 0.14 0.19 0.87 -1.32 -2.42 113.55 111.98 2pk0 h SER 57 Ca 0.08 -0.41 -0.16 0.00 -1.23 0.00 0.00 61.79 60.08 2pk0 h SER 57 Cb 0.57 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2pk0 h SER 57 CO 0.04 1.21 -0.59 -0.78 -0.53 0.00 0.00 176.83 176.18 2pk0 h ASP 58 N 0.20 0.52 -0.59 6.23 3.58 -1.40 -3.11 116.42 121.85 2pk0 h ASP 58 Ca -0.08 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 2pk0 h ASP 58 Cb 1.60 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 2pk0 h ASP 58 CO 0.16 0.99 0.18 -0.25 -2.88 0.00 0.00 179.24 177.44 2pk0 h TRP 59 N 0.34 0.96 0.00 0.28 2.91 -0.91 -3.09 115.95 116.44 2pk0 h TRP 59 Ca -0.00 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 2pk0 h TRP 59 Cb 1.12 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.50 2pk0 h TRP 59 CO 0.04 0.80 -0.07 0.00 -1.03 0.00 0.00 178.44 178.18 2pk0 h ALA 60 N 1.05 1.32 -0.01 2.65 0.00 -1.36 -1.86 119.26 121.05 2pk0 h ALA 60 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pk0 h ALA 60 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pk0 h ALA 60 CO -0.00 0.08 -0.24 0.39 0.00 0.00 0.00 179.25 179.48 2pk0 n GLU 61 N -3.63 1.09 -2.06 0.00 -0.58 -1.17 -3.82 120.64 110.46 2pk0 n GLU 61 Ca -0.02 -0.70 -0.28 0.00 -0.42 0.00 0.00 57.16 55.74 2pk0 n GLU 61 Cb 0.18 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.40 2.11 -0.01 2.62 -4.23 -0.70 -4.84 115.64 108.19 2pk0 s THR 62 Ca 0.26 -0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2pk0 s THR 62 Cb 0.19 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2pk0 s THR 62 CO 0.49 0.00 0.05 -0.67 -0.54 0.00 0.00 174.62 173.95 2pk0 n ASP 63 N -3.23 4.41 -4.89 3.99 2.03 -1.26 -1.89 116.55 115.71 2pk0 n ASP 63 Ca 0.10 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2pk0 n ASP 63 Cb 0.60 0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 41.96 2pk0 n ASP 63 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2pk0 s PHE 64 N -2.15 3.47 0.00 -0.67 -0.12 -1.26 -4.44 117.98 112.81 2pk0 s PHE 64 Ca -0.01 0.87 0.00 0.00 -0.05 0.00 0.00 56.93 57.74 2pk0 s PHE 64 Cb 0.01 -2.29 0.00 0.00 -0.63 0.00 0.00 43.02 40.11 2pk0 s PHE 64 CO 0.11 0.04 0.39 -1.13 -0.05 0.00 0.00 175.22 174.58 2pk0 n SER 65 N -1.04 0.72 -4.89 1.98 3.41 -1.26 -4.79 113.62 107.75 2pk0 n SER 65 Ca 0.01 -1.11 -0.34 0.00 -0.26 0.00 0.00 58.87 57.17 2pk0 n SER 65 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 2pk0 n SER 65 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pk0 s GLU 66 N -0.11 3.56 0.44 4.33 0.41 -1.26 -5.00 118.70 121.07 2pk0 s GLU 66 Ca 0.00 -0.12 0.16 0.00 -0.41 0.00 0.00 54.97 54.60 2pk0 s GLU 66 Cb 0.00 -3.07 1.07 0.00 -1.78 0.00 0.00 34.13 30.35 2pk0 s GLU 66 CO 0.00 0.64 1.94 -0.07 -0.49 0.00 0.00 175.26 177.29 2pk0 h LEU 67 N 3.89 0.35 -0.58 1.80 3.38 -1.98 -2.22 115.31 119.94 2pk0 h LEU 67 Ca -0.50 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.34 2pk0 h LEU 67 Cb 1.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2pk0 h LEU 67 CO 0.67 0.19 -0.68 0.77 0.09 0.00 0.00 178.44 179.48 2pk0 h SER 68 N 0.38 0.16 -0.07 -0.43 4.64 -2.00 -2.55 113.55 113.69 2pk0 h SER 68 Ca 0.33 -0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 2pk0 h SER 68 Cb 0.76 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2pk0 h SER 68 CO -0.10 0.79 -0.80 -0.33 -0.87 0.00 0.00 176.83 175.53 2pk0 h GLU 69 N 0.09 0.73 -0.56 4.77 5.08 -1.83 -2.69 114.58 120.17 2pk0 h GLU 69 Ca -0.01 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 2pk0 h GLU 69 Cb 1.22 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 2pk0 h GLU 69 CO 0.10 1.22 0.27 0.82 -1.00 0.00 0.00 179.01 180.42 2pk0 h ILE 70 N 0.49 1.20 -0.08 3.13 2.04 -1.49 -1.67 117.51 121.14 2pk0 h ILE 70 Ca -0.06 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.26 2pk0 h ILE 70 Cb 1.42 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2pk0 h ILE 70 CO 0.16 0.23 -0.14 -0.09 0.00 0.00 0.00 178.15 178.31 2pk0 h ARG 71 N 0.76 -0.18 -0.39 2.37 2.43 -1.41 0.33 114.38 118.29 2pk0 h ARG 71 Ca 0.19 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2pk0 h ARG 71 Cb 0.12 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2pk0 h ARG 71 CO -0.02 -0.12 0.21 -0.44 -1.51 0.00 0.00 179.97 178.08 2pk0 h ASP 72 N -0.19 0.32 -0.73 -3.80 3.32 -1.39 -1.87 116.42 112.08 2pk0 h ASP 72 Ca 0.07 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.19 2pk0 h ASP 72 Cb 0.30 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2pk0 h ASP 72 CO -0.19 0.23 0.43 -0.25 -1.72 0.00 0.00 179.24 177.74 2pk0 h TRP 73 N 0.43 0.80 0.23 4.55 7.01 -0.90 -1.79 115.95 126.27 2pk0 h TRP 73 Ca 0.16 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2pk0 h TRP 73 Cb 0.05 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2pk0 h TRP 73 CO -0.09 0.41 -0.11 0.52 -2.79 0.00 0.00 178.44 176.38 2pk0 h MET 74 N 0.81 -0.30 0.24 2.65 2.86 -0.03 -1.11 114.93 120.05 2pk0 h MET 74 Ca 0.32 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2pk0 h MET 74 Cb 0.14 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2pk0 h MET 74 CO -0.16 -0.12 -0.40 -0.07 1.06 0.00 0.00 176.91 177.22 2pk0 h LEU 75 N -0.42 -1.14 -0.77 1.22 3.38 -1.15 -1.33 115.31 115.10 2pk0 h LEU 75 Ca -0.03 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2pk0 h LEU 75 Cb 0.32 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 2pk0 h LEU 75 CO 0.05 -0.47 0.30 0.58 0.09 0.00 0.00 178.44 178.99 2pk0 h VAL 76 N -0.67 0.61 -0.71 1.22 2.07 -1.42 -2.38 116.25 114.97 2pk0 h VAL 76 Ca -0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2pk0 h VAL 76 Cb 0.62 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2pk0 h VAL 76 CO -0.13 0.08 0.30 0.28 0.02 0.00 0.00 177.57 178.12 2pk0 h SER 77 N 0.42 0.96 -0.26 0.57 0.02 -0.91 -1.85 113.55 112.50 2pk0 h SER 77 Ca 0.43 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 61.07 2pk0 h SER 77 Cb 0.69 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2pk0 h SER 77 CO -0.44 0.85 -0.43 0.40 -1.14 0.00 0.00 176.83 176.08 2pk0 h ILE 78 N 1.00 1.28 -0.26 3.27 2.04 -0.96 -1.24 117.51 122.65 2pk0 h ILE 78 Ca 0.24 -1.61 -0.14 0.00 1.00 0.00 0.00 64.86 64.35 2pk0 h ILE 78 Cb 0.18 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2pk0 h ILE 78 CO -0.02 0.53 -0.42 -0.08 0.00 0.00 0.00 178.15 178.15 2pk0 h GLU 79 N 0.66 0.64 0.00 2.37 4.57 -1.28 0.09 114.58 121.63 2pk0 h GLU 79 Ca 0.05 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 2pk0 h GLU 79 Cb 1.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2pk0 h GLU 79 CO 0.10 0.94 -0.42 1.79 -1.18 0.00 0.00 179.01 180.23 2pk0 h THR 80 N 0.52 0.86 0.06 0.32 1.35 -1.21 -2.75 112.91 112.07 2pk0 h THR 80 Ca 0.04 -1.80 -0.24 0.00 -0.55 0.00 0.00 66.41 63.86 2pk0 h THR 80 Cb 0.94 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 2pk0 h THR 80 CO 0.09 0.42 -1.11 -0.08 -0.25 0.00 0.00 175.52 174.58 2pk0 h GLU 81 N 0.00 0.14 0.15 4.72 4.57 -1.10 -2.01 114.58 121.05 2pk0 h GLU 81 Ca -0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2pk0 h GLU 81 Cb 1.09 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2pk0 h GLU 81 CO 0.06 1.10 -0.11 -0.97 -1.18 0.00 0.00 179.01 177.91 2pk0 h ASN 82 N 0.04 -0.28 -0.42 1.04 -0.00 -0.93 -1.06 115.58 113.98 2pk0 h ASN 82 Ca -0.07 0.02 0.06 0.00 -0.00 0.00 0.00 56.30 56.31 2pk0 h ASN 82 Cb 1.85 0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 40.21 2pk0 h ASN 82 CO 0.17 -0.17 0.09 -0.09 -0.00 0.00 0.00 177.43 177.42 2pk0 h ARG 83 N -0.26 0.22 -0.20 6.67 9.65 -1.55 -1.33 114.38 127.58 2pk0 h ARG 83 Ca -0.01 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2pk0 h ARG 83 Cb 0.23 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2pk0 h ARG 83 CO -0.01 0.15 0.03 -0.22 2.80 0.00 0.00 179.97 182.72 2pk0 h LYS 84 N 0.23 0.10 -0.47 0.20 3.64 -1.13 -1.58 116.57 117.56 2pk0 h LYS 84 Ca 0.20 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 2pk0 h LYS 84 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2pk0 h LYS 84 CO -0.25 0.07 -0.22 0.82 -2.27 0.00 0.00 179.45 177.59 2pk0 h ILE 85 N 0.11 1.27 -0.40 2.00 1.08 -1.09 -1.84 117.51 118.63 2pk0 h ILE 85 Ca 0.09 -1.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.15 2pk0 h ILE 85 Cb 0.09 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2pk0 h ILE 85 CO -0.13 0.47 0.15 0.22 -0.69 0.00 0.00 178.15 178.18 2pk0 h TYR 86 N 0.83 0.63 -0.64 1.37 3.20 -1.10 0.07 116.97 121.32 2pk0 h TYR 86 Ca 0.11 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2pk0 h TYR 86 Cb 0.79 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2pk0 h TYR 86 CO 0.05 0.56 0.22 0.93 -1.64 0.00 0.00 178.16 178.29 2pk0 h GLU 87 N 0.51 0.97 0.00 1.82 4.39 -1.25 -2.46 114.58 118.56 2pk0 h GLU 87 Ca 0.13 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2pk0 h GLU 87 Cb 0.21 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2pk0 h GLU 87 CO -0.01 0.84 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.42 2pk0 h LEU 88 N 0.91 0.00 -0.51 1.33 3.38 -1.15 -2.80 115.31 116.47 2pk0 h LEU 88 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pk0 h LEU 88 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2pk0 h LEU 88 CO -0.01 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2pk0 n GLY 89 N -0.83 -0.03 0.01 0.83 0.00 -0.00 -2.47 105.19 102.69 2pk0 n GLY 89 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.21 0.06 -1.46 1.61 1.13 -1.05 -3.11 117.38 114.35 2pk0 n GLN 90 Ca 0.02 -0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.78 2pk0 n GLN 90 Cb 0.13 -1.52 0.09 0.00 0.11 0.00 0.00 30.24 29.06 2pk0 n GLN 90 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2pk0 s SER 91 N -3.18 4.46 0.00 1.08 1.04 -1.03 -4.90 113.70 111.17 2pk0 s SER 91 Ca 0.08 1.46 -0.25 0.00 0.48 0.00 0.00 55.95 57.72 2pk0 s SER 91 Cb 0.16 -2.21 -0.19 0.00 0.10 0.00 0.00 66.02 63.89 2pk0 s SER 91 CO 0.78 -2.01 1.36 -0.78 0.98 0.00 0.00 173.24 173.58 2pk0 h ASP 92 N -1.11 -0.02 0.64 7.02 3.58 -1.91 -2.64 116.42 121.97 2pk0 h ASP 92 Ca -0.46 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.62 2pk0 h ASP 92 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2pk0 h ASP 92 CO 0.57 0.36 0.00 0.47 -2.88 0.00 0.00 179.24 177.76 2pk0 n ASP 93 N -4.92 0.00 -0.17 2.28 8.00 -1.26 -3.13 116.55 117.35 2pk0 n ASP 93 Ca -0.08 0.23 0.07 0.00 0.71 0.00 0.00 54.79 55.71 2pk0 n ASP 93 Cb 0.20 -0.40 0.11 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.40 0.13 -1.64 1.24 4.01 -1.18 -4.50 117.16 113.83 2pk0 n TYR 94 Ca 0.08 -0.81 -0.49 0.00 -0.16 0.00 0.00 57.90 56.53 2pk0 n TYR 94 Cb 0.23 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2pk0 n TYR 94 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2pk0 n LYS 95 N -0.94 1.75 -1.59 -0.72 5.02 -1.00 -2.32 118.16 118.35 2pk0 n LYS 95 Ca 0.12 0.63 -0.07 0.00 -2.02 0.00 0.00 58.31 56.97 2pk0 n LYS 95 Cb 0.54 -2.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 2pk0 n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pk0 n GLY 96 N 3.17 0.59 3.77 0.72 0.00 -1.18 -4.83 105.19 107.43 2pk0 n GLY 96 Ca 0.18 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.33 4.10 -0.04 1.61 0.00 -0.98 -4.57 119.30 116.09 2pk0 s MET 97 Ca 0.00 2.30 -0.29 0.00 0.00 0.00 0.00 55.69 57.70 2pk0 s MET 97 Cb 0.00 -2.90 0.10 0.00 0.00 0.00 0.00 34.83 32.03 2pk0 s MET 97 CO 0.00 -0.43 0.87 0.20 0.00 0.00 0.00 175.02 175.66 2pk0 s GLY 98 N -0.50 -0.44 0.02 2.11 0.00 -0.79 -4.65 107.32 103.08 2pk0 s GLY 98 Ca 0.54 1.30 -0.09 0.00 0.00 0.00 0.00 44.72 46.47 2pk0 s GLY 98 CO 0.54 0.60 0.18 -1.08 0.00 0.00 0.00 173.10 173.34 2pk0 s THR 99 N -2.35 0.10 0.77 0.90 -1.32 -0.55 0.01 115.64 113.19 2pk0 s THR 99 Ca 0.01 -0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 59.58 2pk0 s THR 99 Cb -0.01 -0.74 0.08 0.00 -1.51 0.00 0.00 72.50 70.32 2pk0 s THR 99 CO -0.04 -0.45 1.11 0.42 -2.21 0.00 0.00 174.62 173.45 2pk0 s THR 100 N -2.11 2.14 -0.11 5.08 -4.23 -0.89 -0.04 115.64 115.48 2pk0 s THR 100 Ca -0.09 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.14 2pk0 s THR 100 Cb -0.03 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.86 2pk0 s THR 100 CO -0.02 0.00 0.35 -0.51 -0.54 0.00 0.00 174.62 173.90 2pk0 s ILE 101 N -3.43 0.01 -0.08 2.99 2.07 -0.31 -3.43 121.20 119.02 2pk0 s ILE 101 Ca 0.62 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.76 2pk0 s ILE 101 Cb -0.10 -0.53 0.02 0.00 0.13 0.00 0.00 42.46 41.98 2pk0 s ILE 101 CO 0.47 -0.06 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.79 2pk0 s GLU 102 N -0.15 1.05 -0.16 3.50 0.41 -0.30 -1.43 118.70 121.61 2pk0 s GLU 102 Ca -0.03 -0.10 0.01 0.00 -0.41 0.00 0.00 54.97 54.43 2pk0 s GLU 102 Cb -0.03 -1.17 0.02 0.00 -1.78 0.00 0.00 34.13 31.17 2pk0 s GLU 102 CO 0.01 -0.21 -0.16 0.00 -0.49 0.00 0.00 175.26 174.42 2pk0 s ALA 103 N 1.52 2.02 -0.12 5.21 0.00 -0.89 -0.90 121.76 128.61 2pk0 s ALA 103 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.96 2pk0 s ALA 103 Cb -0.13 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2pk0 s ALA 103 CO -0.04 -0.40 -0.21 0.08 0.00 0.00 0.00 175.76 175.19 2pk0 s VAL 104 N 1.42 1.90 0.04 0.00 1.01 -0.38 -1.29 120.40 123.09 2pk0 s VAL 104 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2pk0 s VAL 104 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2pk0 s VAL 104 CO -0.11 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 2pk0 s ALA 105 N 0.71 2.83 -0.23 5.51 0.00 -0.57 -0.75 121.76 129.26 2pk0 s ALA 105 Ca -0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2pk0 s ALA 105 Cb -0.16 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.07 2pk0 s ALA 105 CO 0.01 0.60 -0.09 0.42 0.00 0.00 0.00 175.76 176.71 2pk0 s ILE 106 N -1.02 2.78 -0.30 0.00 1.01 -1.16 -1.82 121.20 120.69 2pk0 s ILE 106 Ca 0.17 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2pk0 s ILE 106 Cb -0.11 -2.35 0.07 0.00 0.01 0.00 0.00 42.46 40.08 2pk0 s ILE 106 CO 0.08 0.29 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 2pk0 s VAL 107 N 1.34 2.37 0.00 2.92 1.01 0.08 -4.32 120.40 123.80 2pk0 s VAL 107 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2pk0 s VAL 107 Cb -0.16 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2pk0 s VAL 107 CO -0.06 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2pk0 n GLY 108 N 4.41 3.04 0.69 4.51 0.00 -1.26 -1.20 105.19 115.37 2pk0 n GLY 108 Ca -0.07 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2pk0 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pk0 n ASP 109 N 10.25 3.37 -4.91 1.61 5.75 -1.19 -4.63 116.55 126.80 2pk0 n ASP 109 Ca 0.00 -2.73 -0.32 0.00 -0.01 0.00 0.00 54.79 51.74 2pk0 n ASP 109 Cb 0.00 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 39.62 2pk0 n ASP 109 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2pk0 s ASN 110 N -1.77 6.41 0.15 -1.12 0.01 -0.34 -0.43 114.94 117.85 2pk0 s ASN 110 Ca 0.34 0.40 0.11 0.00 -0.71 0.00 0.00 52.86 53.00 2pk0 s ASN 110 Cb 0.26 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.87 2pk0 s ASN 110 CO 0.09 0.15 -0.26 0.27 -1.51 0.00 0.00 177.10 175.84 2pk0 s ILE 111 N -1.52 2.29 -0.07 0.60 -4.36 -0.87 -0.74 121.20 116.54 2pk0 s ILE 111 Ca 0.35 -1.84 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 2pk0 s ILE 111 Cb -0.13 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.55 2pk0 s ILE 111 CO 0.25 0.03 -0.16 -0.51 0.24 0.00 0.00 174.94 174.79 2pk0 s ILE 112 N -1.24 1.41 0.25 8.37 2.07 -0.76 -2.07 121.20 129.22 2pk0 s ILE 112 Ca 0.16 -0.66 0.11 0.00 -1.41 0.00 0.00 60.65 58.86 2pk0 s ILE 112 Cb -0.09 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 41.21 2pk0 s ILE 112 CO 0.07 0.41 -0.18 0.72 -1.91 0.00 0.00 174.94 174.06 2pk0 s PHE 113 N 0.42 2.37 -0.07 3.50 -0.12 -0.37 -1.51 117.98 122.19 2pk0 s PHE 113 Ca -0.12 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 2pk0 s PHE 113 Cb -0.15 -1.07 0.01 0.00 -0.63 0.00 0.00 43.02 41.18 2pk0 s PHE 113 CO 0.04 0.64 -0.15 0.00 -0.05 0.00 0.00 175.22 175.70 2pk0 s ALA 114 N -2.22 1.49 -0.07 1.99 0.00 -0.41 -2.55 121.76 119.99 2pk0 s ALA 114 Ca 0.27 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2pk0 s ALA 114 Cb -0.06 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2pk0 s ALA 114 CO 0.14 0.17 -0.08 -1.58 0.00 0.00 0.00 175.76 174.41 2pk0 s HIS 115 N 0.55 1.24 -0.04 0.00 5.04 0.12 -2.09 115.29 120.12 2pk0 s HIS 115 Ca -0.15 -0.49 -0.02 0.00 -1.54 0.00 0.00 55.06 52.86 2pk0 s HIS 115 Cb -0.16 -1.00 0.03 0.00 0.04 0.00 0.00 32.58 31.49 2pk0 s HIS 115 CO 0.05 -0.32 0.06 0.08 -2.34 0.00 0.00 174.74 172.26 2pk0 s VAL 116 N 1.10 -0.11 0.00 0.89 1.01 -0.52 -1.63 120.40 121.14 2pk0 s VAL 116 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2pk0 s VAL 116 Cb -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2pk0 s VAL 116 CO -0.01 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2pk0 n GLY 117 N 5.13 -0.61 0.88 4.51 0.00 -1.26 -1.17 105.19 112.67 2pk0 n GLY 117 Ca -0.07 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 3.41 -4.88 1.61 5.75 -1.26 -1.77 116.55 119.41 2pk0 n ASP 118 Ca 0.00 -3.20 -0.30 0.00 -0.01 0.00 0.00 54.79 51.28 2pk0 n ASP 118 Cb 0.00 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 39.56 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 -2.17 5.86 0.09 -1.12 0.01 -1.26 -4.34 113.70 110.76 2pk0 s SER 119 Ca 0.42 1.20 0.05 0.00 1.31 0.00 0.00 55.95 58.93 2pk0 s SER 119 Cb 0.35 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 2pk0 s SER 119 CO 0.06 -1.06 -0.12 -0.13 0.41 0.00 0.00 173.24 172.40 2pk0 s ARG 120 N -5.20 0.84 -0.07 12.44 0.52 0.20 -4.85 118.95 122.82 2pk0 s ARG 120 Ca 0.56 -1.05 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2pk0 s ARG 120 Cb -0.11 -0.70 0.01 0.00 0.52 0.00 0.00 34.95 34.66 2pk0 s ARG 120 CO 0.52 0.14 -0.16 0.42 0.02 0.00 0.00 175.30 176.24 2pk0 s ILE 121 N -1.78 1.37 0.10 1.52 1.01 -1.26 -1.02 121.20 121.14 2pk0 s ILE 121 Ca 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2pk0 s ILE 121 Cb -0.07 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2pk0 s ILE 121 CO 0.02 0.41 0.08 -0.83 0.00 0.00 0.00 174.94 174.61 2pk0 s GLY 122 N 0.45 0.56 -0.09 6.18 0.00 0.20 -1.30 107.32 113.32 2pk0 s GLY 122 Ca -0.13 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.50 2pk0 s GLY 122 CO 0.04 -1.17 -0.24 -0.42 0.00 0.00 0.00 173.10 171.32 2pk0 s ILE 123 N -3.95 2.12 -0.30 0.90 1.01 -0.59 0.59 121.20 120.97 2pk0 s ILE 123 Ca 0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2pk0 s ILE 123 Cb 0.07 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2pk0 s ILE 123 CO -0.05 0.56 0.16 -0.69 0.00 0.00 0.00 174.94 174.92 2pk0 s VAL 124 N 0.21 4.81 -0.04 2.92 1.01 0.68 -0.79 120.40 129.19 2pk0 s VAL 124 Ca -0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2pk0 s VAL 124 Cb -0.17 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.84 2pk0 s VAL 124 CO 0.07 0.12 0.01 -0.60 0.00 0.00 0.00 175.10 174.71 2pk0 s ARG 125 N 1.66 0.24 -1.62 2.72 3.52 0.04 -1.91 118.95 123.60 2pk0 s ARG 125 Ca 0.06 0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 2pk0 s ARG 125 Cb -0.17 -0.52 0.10 0.00 -1.56 0.00 0.00 34.95 32.80 2pk0 s ARG 125 CO 0.07 -0.19 0.54 1.04 -0.81 0.00 0.00 175.30 175.95 2pk0 n GLN 126 N 4.46 -2.56 -1.02 5.12 3.00 -1.26 -1.71 117.38 123.42 2pk0 n GLN 126 Ca -0.20 0.31 -0.01 0.00 -0.01 0.00 0.00 57.00 57.09 2pk0 n GLN 126 Cb 0.50 -4.66 -0.00 0.00 0.00 0.00 0.00 30.24 26.08 2pk0 n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pk0 n GLY 127 N -1.71 0.46 2.93 1.08 0.00 -1.26 -5.02 105.19 101.68 2pk0 n GLY 127 Ca -0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.29 0.70 -0.13 1.61 2.12 -0.69 -4.89 118.70 116.13 2pk0 s GLU 128 Ca 0.00 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 54.98 2pk0 s GLU 128 Cb 0.00 -0.70 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 2pk0 s GLU 128 CO 0.00 0.01 0.54 -0.47 -0.54 0.00 0.00 175.26 174.81 2pk0 s TYR 129 N 0.47 3.48 -0.17 5.30 5.04 -1.26 -0.78 117.35 129.43 2pk0 s TYR 129 Ca -0.06 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 2pk0 s TYR 129 Cb -0.10 -2.65 0.01 0.00 0.35 0.00 0.00 41.96 39.57 2pk0 s TYR 129 CO 0.00 0.06 -0.16 -1.01 -1.34 0.00 0.00 175.55 173.10 2pk0 s HIS 130 N 0.99 2.80 -0.01 4.97 3.76 0.03 -4.97 115.29 122.85 2pk0 s HIS 130 Ca 0.28 -1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 53.62 2pk0 s HIS 130 Cb -0.16 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 2pk0 s HIS 130 CO 0.12 -0.62 1.16 -1.17 -0.85 0.00 0.00 174.74 173.37 2pk0 s LEU 131 N 1.09 4.32 -0.15 0.89 2.96 -1.26 -1.54 118.68 124.99 2pk0 s LEU 131 Ca -0.00 1.85 0.14 0.00 -0.22 0.00 0.00 54.13 55.90 2pk0 s LEU 131 Cb -0.14 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.74 2pk0 s LEU 131 CO -0.05 -0.49 0.27 0.18 -1.32 0.00 0.00 176.35 174.94 2pk0 n LEU 132 N 4.53 0.58 -4.96 -0.68 4.77 -0.42 -4.99 117.00 115.83 2pk0 n LEU 132 Ca 0.09 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 2pk0 n LEU 132 Cb 0.47 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.81 2pk0 n LEU 132 CO 0.55 0.50 0.14 0.42 -1.33 0.00 0.00 177.39 177.67 2pk0 s THR 133 N -2.53 2.47 -0.10 -5.08 -4.23 -1.23 -5.02 115.64 99.92 2pk0 s THR 133 Ca -0.10 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2pk0 s THR 133 Cb 0.07 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.29 2pk0 s THR 133 CO 0.81 0.00 -0.09 -0.55 -0.54 0.00 0.00 174.62 174.25 2pk0 s SER 134 N -4.36 2.09 0.08 3.99 0.15 -1.26 -4.95 113.70 109.44 2pk0 s SER 134 Ca 0.52 -0.31 -0.32 0.00 0.70 0.00 0.00 55.95 56.54 2pk0 s SER 134 Cb -0.06 -0.85 -0.12 0.00 -1.71 0.00 0.00 66.02 63.29 2pk0 s SER 134 CO 0.31 -0.08 1.80 0.47 1.20 0.00 0.00 173.24 176.94 2pk0 n ASP 135 N 4.67 3.70 -4.57 5.45 9.92 -1.26 -4.86 116.55 129.60 2pk0 n ASP 135 Ca -0.15 1.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.76 2pk0 n ASP 135 Cb 0.50 -1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 39.47 2pk0 n ASP 135 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2pk0 s HIS 136 N 2.71 2.27 0.16 1.24 3.76 -0.73 -4.74 115.29 119.96 2pk0 s HIS 136 Ca 0.84 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.44 2pk0 s HIS 136 Cb -0.57 -4.39 -0.05 0.00 1.11 0.00 0.00 32.58 28.68 2pk0 s HIS 136 CO 0.41 -1.71 -0.03 -1.54 -0.85 0.00 0.00 174.74 171.02 2pk0 s SER 137 N 5.97 1.44 0.15 1.40 1.04 -1.26 -1.87 113.70 120.56 2pk0 s SER 137 Ca 0.59 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 2pk0 s SER 137 Cb -0.01 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.18 2pk0 s SER 137 CO 0.01 -0.49 1.79 0.25 0.98 0.00 0.00 173.24 175.79 2pk0 h LEU 138 N 2.72 0.46 -0.88 2.42 6.46 -1.45 -1.98 115.31 123.06 2pk0 h LEU 138 Ca -0.37 -0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.26 2pk0 h LEU 138 Cb 1.20 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 2pk0 h LEU 138 CO 0.63 0.36 -0.24 -0.37 -0.62 0.00 0.00 178.44 178.20 2pk0 h VAL 139 N 0.53 1.27 0.00 1.05 -1.51 -1.96 -1.89 116.25 113.73 2pk0 h VAL 139 Ca 0.14 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.30 2pk0 h VAL 139 Cb -0.03 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 2pk0 h VAL 139 CO -0.03 0.41 -0.13 0.78 -1.23 0.00 0.00 177.57 177.37 2pk0 h ASN 140 N 0.48 0.00 0.51 4.19 2.35 -1.83 -1.55 115.58 119.73 2pk0 h ASN 140 Ca 0.07 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 2pk0 h ASN 140 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2pk0 h ASN 140 CO 0.05 0.13 -0.74 -0.33 -1.65 0.00 0.00 177.43 174.89 2pk0 h GLU 141 N 0.00 0.19 -0.30 0.81 5.08 -0.59 -2.62 114.58 117.15 2pk0 h GLU 141 Ca -0.00 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2pk0 h GLU 141 Cb 0.58 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2pk0 h GLU 141 CO 0.02 0.84 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.38 2pk0 h LEU 142 N 0.12 0.80 -0.24 1.33 3.38 -0.86 -2.51 115.31 117.33 2pk0 h LEU 142 Ca -0.02 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2pk0 h LEU 142 Cb 1.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2pk0 h LEU 142 CO 0.11 1.11 -0.07 0.58 0.09 0.00 0.00 178.44 180.26 2pk0 h VAL 143 N 0.60 1.29 0.00 1.22 2.07 -1.29 0.19 116.25 120.33 2pk0 h VAL 143 Ca 0.04 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 2pk0 h VAL 143 Cb 0.98 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2pk0 h VAL 143 CO 0.09 0.34 -0.40 0.50 0.02 0.00 0.00 177.57 178.12 2pk0 h LYS 144 N 0.20 0.00 -0.03 1.57 3.64 -1.52 -1.79 116.57 118.65 2pk0 h LYS 144 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2pk0 h LYS 144 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2pk0 h LYS 144 CO 0.03 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 2pk0 n ALA 145 N -2.40 2.61 -2.22 5.00 0.00 -0.95 -4.92 120.51 117.63 2pk0 n ALA 145 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 2pk0 n ALA 145 Cb 0.46 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.05 0.23 0.00 0.00 0.00 -0.67 -4.92 105.19 100.87 2pk0 n GLY 146 Ca 0.19 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.62 2pk0 n GLY 146 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pk0 n GLN 147 N -1.53 4.06 -4.00 1.61 6.02 0.63 -4.98 117.38 119.18 2pk0 n GLN 147 Ca -0.05 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 2pk0 n GLN 147 Cb 0.54 -0.89 -0.11 0.00 1.02 0.00 0.00 30.24 30.81 2pk0 n GLN 147 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pk0 s LEU 148 N -2.49 2.28 0.67 1.08 1.43 -0.97 -4.92 118.68 115.76 2pk0 s LEU 148 Ca 0.02 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2pk0 s LEU 148 Cb 0.05 0.13 0.05 0.00 0.03 0.00 0.00 46.19 46.46 2pk0 s LEU 148 CO 0.30 -0.36 0.96 0.42 0.23 0.00 0.00 176.35 177.90 2pk0 s THR 149 N -1.97 2.41 0.15 5.49 -4.23 -1.26 -4.22 115.64 112.01 2pk0 s THR 149 Ca -0.11 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 2pk0 s THR 149 Cb -0.06 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 2pk0 s THR 149 CO -0.03 -0.02 1.80 -0.08 -0.54 0.00 0.00 174.62 175.76 2pk0 h GLU 150 N -0.43 0.45 -0.17 3.99 4.57 -1.99 -1.71 114.58 119.28 2pk0 h GLU 150 Ca -0.44 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 2pk0 h GLU 150 Cb 1.31 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2pk0 h GLU 150 CO 0.58 0.30 -0.41 1.49 -1.18 0.00 0.00 179.01 179.79 2pk0 h GLU 151 N 0.46 0.39 -0.28 1.92 4.81 -1.99 -2.23 114.58 117.65 2pk0 h GLU 151 Ca 0.13 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2pk0 h GLU 151 Cb -0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2pk0 h GLU 151 CO -0.04 0.74 -0.26 0.93 -0.73 0.00 0.00 179.01 179.65 2pk0 h GLU 152 N 0.32 0.56 -0.04 1.92 5.08 -1.90 -3.07 114.58 117.45 2pk0 h GLU 152 Ca 0.03 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 2pk0 h GLU 152 Cb 0.87 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2pk0 h GLU 152 CO 0.07 0.77 -0.57 0.00 -1.00 0.00 0.00 179.01 178.29 2pk0 h ALA 153 N 1.23 0.98 0.00 3.43 0.00 -0.77 -2.92 119.26 121.20 2pk0 h ALA 153 Ca 0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2pk0 h ALA 153 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pk0 h ALA 153 CO 0.05 0.71 -0.13 0.00 0.00 0.00 0.00 179.25 179.88 2pk0 h ALA 154 N 1.33 1.02 -0.27 0.00 0.00 -1.33 -3.11 119.26 116.91 2pk0 h ALA 154 Ca -0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2pk0 h ALA 154 Cb 1.03 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2pk0 h ALA 154 CO 0.08 0.16 -0.28 -1.13 0.00 0.00 0.00 179.25 178.08 2pk0 n SER 155 N -3.28 2.51 -4.71 0.00 3.41 -1.12 -5.02 113.62 105.41 2pk0 n SER 155 Ca 0.00 -3.84 -0.42 0.00 -0.26 0.00 0.00 58.87 54.35 2pk0 n SER 155 Cb 0.38 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 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 -3.30 3.44 -1.93 7.33 2.46 -1.14 -4.93 115.29 117.23 2pk0 s HIS 156 Ca 0.43 1.37 0.25 0.00 0.47 0.00 0.00 55.06 57.58 2pk0 s HIS 156 Cb 0.40 -3.36 1.45 0.00 -0.13 0.00 0.00 32.58 30.94 2pk0 s HIS 156 CO -0.03 -1.02 1.84 -2.30 -2.47 0.00 0.00 174.74 170.77 2pk0 n PRO 157 N 4.13 0.73 -4.08 2.88 -0.02 -1.26 -4.80 135.00 132.58 2pk0 n PRO 157 Ca 0.09 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 2pk0 n PRO 157 Cb 0.47 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 2pk0 n PRO 157 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pk0 s GLN 158 N -2.07 3.06 0.71 -0.52 -0.21 -1.26 -5.10 119.66 114.26 2pk0 s GLN 158 Ca 0.36 -0.52 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 2pk0 s GLN 158 Cb 0.17 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.36 2pk0 s GLN 158 CO 0.30 0.63 1.10 -1.59 -2.12 0.00 0.00 175.29 173.61 2pk0 s LYS 159 N -1.89 2.56 0.31 2.91 0.00 -1.26 -4.93 119.74 117.44 2pk0 s LYS 159 Ca 0.25 1.30 -0.29 0.00 0.00 0.00 0.00 55.97 57.22 2pk0 s LYS 159 Cb -0.12 -1.93 -0.11 0.00 0.00 0.00 0.00 37.83 35.67 2pk0 s LYS 159 CO 0.16 -1.42 1.49 -0.80 0.00 0.00 0.00 175.35 174.78 2pk0 s ASN 160 N -2.92 6.48 -0.23 0.03 0.01 -1.26 -5.01 114.94 112.04 2pk0 s ASN 160 Ca 0.65 2.88 -0.07 0.00 -0.71 0.00 0.00 52.86 55.61 2pk0 s ASN 160 Cb -0.19 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.80 2pk0 s ASN 160 CO 0.48 -0.81 0.06 -0.63 -1.51 0.00 0.00 177.10 174.69 2pk0 s ILE 161 N -0.44 4.35 0.16 0.60 1.09 -1.26 -5.00 121.20 120.69 2pk0 s ILE 161 Ca 0.58 -0.17 -0.29 0.00 -1.10 0.00 0.00 60.65 59.67 2pk0 s ILE 161 Cb -0.45 -3.02 -0.07 0.00 -1.06 0.00 0.00 42.46 37.86 2pk0 s ILE 161 CO 0.52 0.36 0.93 -0.51 -0.10 0.00 0.00 174.94 176.14 2pk0 s ILE 162 N 1.38 4.35 -0.52 2.92 2.07 -1.26 -1.09 121.20 129.05 2pk0 s ILE 162 Ca 0.05 2.02 0.17 0.00 -1.41 0.00 0.00 60.65 61.48 2pk0 s ILE 162 Cb -0.15 -4.30 -0.21 0.00 0.13 0.00 0.00 42.46 37.94 2pk0 s ILE 162 CO 0.03 0.40 0.59 0.35 -1.91 0.00 0.00 174.94 174.40 2pk0 n THR 163 N 2.24 0.00 -3.67 4.00 -2.24 -0.78 -4.90 114.28 108.93 2pk0 n THR 163 Ca -0.00 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2pk0 n THR 163 Cb 0.48 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 2pk0 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pk0 s GLN 164 N -2.76 0.98 0.25 -0.78 -2.07 -1.26 -5.05 119.66 108.96 2pk0 s GLN 164 Ca 0.02 -0.61 -0.19 0.00 -1.82 0.00 0.00 55.36 52.76 2pk0 s GLN 164 Cb 0.12 0.43 0.02 0.00 -1.09 0.00 0.00 33.01 32.49 2pk0 s GLN 164 CO 0.69 -0.36 0.62 -1.54 -1.32 0.00 0.00 175.29 173.37 2pk0 s SER 165 N -2.51 -0.25 -0.14 12.60 1.04 -1.26 -4.14 113.70 119.04 2pk0 s SER 165 Ca 0.00 -0.61 -0.24 0.00 0.48 0.00 0.00 55.95 55.59 2pk0 s SER 165 Cb 0.01 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 2pk0 s SER 165 CO -0.08 -1.21 0.74 -0.63 0.98 0.00 0.00 173.24 173.03 2pk0 s ILE 166 N -3.92 4.97 0.00 -1.02 1.01 0.95 -3.94 121.20 119.24 2pk0 s ILE 166 Ca 0.12 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2pk0 s ILE 166 Cb -0.03 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2pk0 s ILE 166 CO 0.04 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2pk0 n GLY 167 N 3.44 1.63 3.56 6.18 0.00 -1.25 -1.49 105.19 117.27 2pk0 n GLY 167 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2pk0 n GLY 167 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pk0 s GLN 168 N -0.24 1.89 0.11 1.61 -2.07 -1.25 -4.34 119.66 115.36 2pk0 s GLN 168 Ca 0.00 -1.85 -0.14 0.00 -1.82 0.00 0.00 55.36 51.54 2pk0 s GLN 168 Cb 0.00 -1.79 -0.07 0.00 -1.09 0.00 0.00 33.01 30.07 2pk0 s GLN 168 CO 0.00 0.17 1.46 0.00 -1.32 0.00 0.00 175.29 175.59 2pk0 h ALA 169 N 1.99 0.47 -2.31 2.60 0.00 -1.94 -3.44 119.26 116.61 2pk0 h ALA 169 Ca -0.42 -0.38 -0.50 0.00 0.00 0.00 0.00 54.91 53.62 2pk0 h ALA 169 Cb 1.25 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.97 2pk0 h ALA 169 CO 0.68 0.44 0.18 -0.80 0.00 0.00 0.00 179.25 179.76 2pk0 s ASN 170 N -6.51 6.29 0.42 0.00 0.01 -1.26 -5.04 114.94 108.85 2pk0 s ASN 170 Ca -0.12 1.07 -0.26 0.00 -0.71 0.00 0.00 52.86 52.84 2pk0 s ASN 170 Cb 0.09 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 2pk0 s ASN 170 CO 0.83 -0.62 1.33 -2.84 -1.51 0.00 0.00 177.10 174.29 2pk0 s PRO 171 N -4.73 3.90 0.29 -0.60 0.02 -1.26 -5.02 135.00 127.60 2pk0 s PRO 171 Ca 0.50 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 2pk0 s PRO 171 Cb -0.10 -2.73 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 2pk0 s PRO 171 CO 0.45 -0.57 0.64 0.14 -0.33 0.00 0.00 177.00 177.33 2pk0 s VAL 172 N -1.25 4.85 -0.42 3.83 -7.23 -1.26 -5.05 120.40 113.87 2pk0 s VAL 172 Ca 0.58 0.57 0.01 0.00 -1.81 0.00 0.00 61.98 61.33 2pk0 s VAL 172 Cb -0.39 -3.65 0.11 0.00 0.56 0.00 0.00 36.38 33.01 2pk0 s VAL 172 CO 0.51 -0.21 0.18 -1.61 -0.31 0.00 0.00 175.10 173.65 2pk0 s GLU 173 N -3.13 1.85 0.64 4.82 2.02 -1.26 -5.00 118.70 118.65 2pk0 s GLU 173 Ca 0.49 -2.04 -0.15 0.00 0.02 0.00 0.00 54.97 53.29 2pk0 s GLU 173 Cb -0.11 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2pk0 s GLU 173 CO 0.23 -1.04 1.09 -1.25 0.02 0.00 0.00 175.26 174.31 2pk0 s PRO 174 N 0.70 2.95 -0.10 0.39 0.04 -1.26 -4.95 135.00 132.78 2pk0 s PRO 174 Ca 0.12 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2pk0 s PRO 174 Cb -0.21 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2pk0 s PRO 174 CO -0.05 -1.12 0.25 -0.51 0.04 0.00 0.00 177.00 175.61 2pk0 s ASP 175 N -2.71 6.52 -0.01 6.66 1.01 -0.65 -4.86 116.67 122.63 2pk0 s ASP 175 Ca 0.65 0.61 0.08 0.00 0.71 0.00 0.00 52.55 54.61 2pk0 s ASP 175 Cb -0.19 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2pk0 s ASP 175 CO 0.41 0.31 -0.26 -0.76 0.21 0.00 0.00 175.17 175.08 2pk0 s LEU 176 N -0.69 2.08 0.00 1.23 1.43 -1.26 -0.70 118.68 120.78 2pk0 s LEU 176 Ca 0.17 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2pk0 s LEU 176 Cb -0.14 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2pk0 s LEU 176 CO 0.06 0.31 0.04 -0.83 0.23 0.00 0.00 176.35 176.16 2pk0 s GLY 177 N -0.71 0.09 -0.08 -3.19 0.00 -1.06 -4.98 107.32 97.38 2pk0 s GLY 177 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2pk0 s GLY 177 CO -0.00 -0.26 -0.16 0.14 0.00 0.00 0.00 173.10 172.82 2pk0 s VAL 178 N -0.83 2.86 0.01 1.40 1.01 -1.26 -1.24 120.40 122.35 2pk0 s VAL 178 Ca -0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2pk0 s VAL 178 Cb -0.06 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2pk0 s VAL 178 CO -0.00 0.56 0.00 -1.00 0.00 0.00 0.00 175.10 174.66 2pk0 s HIS 179 N -0.23 0.19 -0.09 5.22 3.76 -0.88 -4.99 115.29 118.28 2pk0 s HIS 179 Ca 0.00 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.35 2pk0 s HIS 179 Cb -0.13 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.37 2pk0 s HIS 179 CO 0.03 -0.18 0.46 -1.17 -0.85 0.00 0.00 174.74 173.04 2pk0 s LEU 180 N -1.24 4.33 -0.22 0.89 2.96 -1.26 -2.06 118.68 122.08 2pk0 s LEU 180 Ca -0.14 0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 2pk0 s LEU 180 Cb -0.08 -2.68 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 2pk0 s LEU 180 CO -0.01 0.08 0.17 -0.76 -1.32 0.00 0.00 176.35 174.51 2pk0 s LEU 181 N 0.21 4.17 0.50 -0.68 1.02 0.42 -5.00 118.68 119.31 2pk0 s LEU 181 Ca 0.25 0.21 -0.00 0.00 0.02 0.00 0.00 54.13 54.61 2pk0 s LEU 181 Cb -0.16 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 43.93 2pk0 s LEU 181 CO 0.11 0.11 0.73 -1.61 0.02 0.00 0.00 176.35 175.71 2pk0 s GLU 182 N 0.73 2.88 0.25 1.70 2.02 -1.26 -4.89 118.70 120.13 2pk0 s GLU 182 Ca 0.09 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 2pk0 s GLU 182 Cb -0.12 -2.51 -0.10 0.00 0.10 0.00 0.00 34.13 31.50 2pk0 s GLU 182 CO 0.02 -0.45 1.48 -1.21 0.02 0.00 0.00 175.26 175.11 2pk0 s GLU 183 N -4.67 4.24 0.00 1.61 2.02 -1.26 -2.52 118.70 118.12 2pk0 s GLU 183 Ca 0.52 2.35 0.00 0.00 0.02 0.00 0.00 54.97 57.86 2pk0 s GLU 183 Cb -0.10 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2pk0 s GLU 183 CO 0.39 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.60 2pk0 n GLY 184 N 2.37 0.92 3.76 -1.39 0.00 0.17 -4.84 105.19 106.19 2pk0 n GLY 184 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 5.45 -0.19 1.61 1.01 -1.05 -4.82 116.67 115.96 2pk0 s ASP 185 Ca 0.00 2.32 0.01 0.00 0.71 0.00 0.00 52.55 55.58 2pk0 s ASP 185 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2pk0 s ASP 185 CO 0.00 -1.41 -0.18 -0.31 0.21 0.00 0.00 175.17 173.47 2pk0 s TYR 186 N -1.65 2.81 -0.07 4.23 2.02 -0.80 -1.75 117.35 122.14 2pk0 s TYR 186 Ca 0.75 -1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 55.57 2pk0 s TYR 186 Cb -0.28 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 2pk0 s TYR 186 CO 0.31 -0.79 0.84 -1.17 -1.57 0.00 0.00 175.55 173.17 2pk0 s LEU 187 N 1.30 4.30 -0.34 -1.29 2.96 -0.30 -0.23 118.68 125.08 2pk0 s LEU 187 Ca 0.05 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 2pk0 s LEU 187 Cb -0.13 -3.30 0.08 0.00 0.50 0.00 0.00 46.19 43.33 2pk0 s LEU 187 CO -0.12 -0.25 0.06 -0.69 -1.32 0.00 0.00 176.35 174.03 2pk0 s VAL 188 N 1.26 2.93 -0.22 1.68 1.01 0.20 -2.00 120.40 125.25 2pk0 s VAL 188 Ca 0.43 -1.73 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 2pk0 s VAL 188 Cb -0.19 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 2pk0 s VAL 188 CO 0.20 -0.34 0.03 -0.69 0.00 0.00 0.00 175.10 174.30 2pk0 s VAL 189 N 1.16 4.15 0.03 2.92 1.01 0.09 -0.63 120.40 129.12 2pk0 s VAL 189 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2pk0 s VAL 189 Cb -0.21 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2pk0 s VAL 189 CO -0.03 0.39 0.12 0.54 0.00 0.00 0.00 175.10 176.12 2pk0 s ASN 190 N 1.24 0.12 0.83 3.32 2.20 -0.19 0.27 114.94 122.73 2pk0 s ASN 190 Ca 0.04 -0.43 -0.12 0.00 -0.94 0.00 0.00 52.86 51.41 2pk0 s ASN 190 Cb -0.15 0.23 0.10 0.00 -2.00 0.00 0.00 41.25 39.43 2pk0 s ASN 190 CO 0.02 -0.48 1.19 -0.94 -2.94 0.00 0.00 177.10 173.96 2pk0 s SER 191 N -1.92 4.31 0.30 3.54 1.04 -0.65 -0.63 113.70 119.69 2pk0 s SER 191 Ca -0.08 0.68 0.25 0.00 0.48 0.00 0.00 55.95 57.28 2pk0 s SER 191 Cb -0.03 -1.11 1.04 0.00 0.10 0.00 0.00 66.02 66.02 2pk0 s SER 191 CO -0.03 -2.02 1.75 -2.24 0.98 0.00 0.00 173.24 171.69 2pk0 h ASP 192 N -1.12 0.00 -0.02 7.02 2.03 -1.85 -2.76 116.42 119.72 2pk0 h ASP 192 Ca -0.46 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 55.85 2pk0 h ASP 192 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2pk0 h ASP 192 CO 0.61 0.00 0.02 1.23 -1.03 0.00 0.00 179.24 180.08 2pk0 h GLY 193 N 2.23 0.00 0.00 7.15 0.00 -1.88 -0.13 103.07 110.45 2pk0 h GLY 193 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2pk0 h GLY 193 CO 0.00 0.00 -0.26 -2.00 0.00 0.00 0.00 176.54 174.28 2pk0 h LEU 194 N 0.00 0.00 -0.22 3.11 5.85 -1.74 -3.34 115.31 118.96 2pk0 h LEU 194 Ca 0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2pk0 h LEU 194 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2pk0 h LEU 194 CO -0.00 0.73 0.00 0.35 -0.34 0.00 0.00 178.44 179.18 2pk0 n THR 195 N -4.68 0.64 0.10 1.05 -2.24 -1.12 -0.52 114.28 107.51 2pk0 n THR 195 Ca -0.06 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2pk0 n THR 195 Cb 0.20 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.51 3.42 2.35 -1.23 -3.34 115.58 117.30 2pk0 h ASN 196 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 2pk0 h ASN 196 Cb 0.47 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 2pk0 h ASN 196 CO 0.00 0.76 -1.68 0.23 -1.65 0.00 0.00 177.43 175.09 2pk0 n MET 197 N -3.32 0.63 -5.02 0.81 2.81 -0.79 -4.95 117.12 107.29 2pk0 n MET 197 Ca 0.01 0.28 -0.28 0.00 -1.81 0.00 0.00 57.70 55.90 2pk0 n MET 197 Cb 0.83 -1.79 -0.16 0.00 -0.71 0.00 0.00 33.22 31.39 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 -6.03 1.99 0.72 4.03 1.02 0.32 -4.89 118.68 115.84 2pk0 s LEU 198 Ca -0.04 -0.42 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 2pk0 s LEU 198 Cb 0.08 -1.14 0.02 0.00 0.02 0.00 0.00 46.19 45.18 2pk0 s LEU 198 CO 0.82 0.20 1.10 -0.94 0.02 0.00 0.00 176.35 177.55 2pk0 s SER 199 N -0.09 5.30 0.27 2.29 1.04 -1.26 -4.37 113.70 116.88 2pk0 s SER 199 Ca -0.03 1.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 2pk0 s SER 199 Cb -0.12 -1.93 0.34 0.00 0.10 0.00 0.00 66.02 64.41 2pk0 s SER 199 CO 0.02 -1.44 1.88 0.78 0.98 0.00 0.00 173.24 175.47 2pk0 h ASN 200 N -0.72 0.96 -0.46 7.02 2.35 -1.99 -2.32 115.58 120.42 2pk0 h ASN 200 Ca -0.45 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.15 2pk0 h ASN 200 Cb 1.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2pk0 h ASN 200 CO 0.63 0.80 0.12 0.00 -1.65 0.00 0.00 177.43 177.33 2pk0 h ALA 201 N 1.35 1.23 -0.15 -0.83 0.00 -1.96 -1.69 119.26 117.21 2pk0 h ALA 201 Ca 0.26 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2pk0 h ALA 201 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2pk0 h ALA 201 CO -0.04 0.53 -0.75 -0.44 0.00 0.00 0.00 179.25 178.56 2pk0 h ASP 202 N 0.77 0.86 -0.47 0.00 3.32 -1.84 -1.86 116.42 117.19 2pk0 h ASP 202 Ca 0.17 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.69 2pk0 h ASP 202 Cb 0.29 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2pk0 h ASP 202 CO -0.00 1.34 0.29 0.40 -1.72 0.00 0.00 179.24 179.55 2pk0 h ILE 203 N 0.50 1.07 -0.32 0.35 2.04 -1.31 -2.45 117.51 117.39 2pk0 h ILE 203 Ca -0.04 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2pk0 h ILE 203 Cb 1.36 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2pk0 h ILE 203 CO 0.15 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.61 2pk0 h ALA 204 N 1.20 0.41 -0.65 1.87 0.00 -1.27 -2.12 119.26 118.68 2pk0 h ALA 204 Ca 0.18 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2pk0 h ALA 204 Cb -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2pk0 h ALA 204 CO -0.07 -0.14 0.32 1.15 0.00 0.00 0.00 179.25 180.51 2pk0 h THR 205 N 0.42 0.87 -0.54 0.00 2.02 -1.11 -1.66 112.91 112.92 2pk0 h THR 205 Ca 0.12 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2pk0 h THR 205 Cb -0.04 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 2pk0 h THR 205 CO -0.03 0.10 0.29 0.58 0.37 0.00 0.00 175.52 176.83 2pk0 h VAL 206 N 0.57 1.18 0.00 3.16 2.07 -1.27 -2.69 116.25 119.27 2pk0 h VAL 206 Ca 0.31 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2pk0 h VAL 206 Cb 0.30 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2pk0 h VAL 206 CO -0.24 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.72 2pk0 n LEU 207 N -4.62 0.71 -0.27 2.57 4.77 -0.72 -2.62 117.00 116.82 2pk0 n LEU 207 Ca 0.03 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 2pk0 n LEU 207 Cb 0.09 -0.46 0.31 0.00 -2.33 0.00 0.00 43.42 41.02 2pk0 n LEU 207 CO 0.37 -0.39 0.58 1.07 -1.33 0.00 0.00 177.39 177.69 2pk0 n THR 208 N -2.23 0.00 -0.87 -5.08 5.66 -0.71 -4.91 114.28 106.15 2pk0 n THR 208 Ca 0.04 -0.14 -0.31 0.00 -3.05 0.00 0.00 64.05 60.59 2pk0 n THR 208 Cb 0.32 0.53 0.15 0.00 -1.55 0.00 0.00 70.33 69.78 2pk0 n THR 208 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2pk0 s GLN 209 N -2.53 1.29 -1.19 1.09 -0.21 -1.08 -4.94 119.66 112.09 2pk0 s GLN 209 Ca 0.23 1.38 -0.07 0.00 0.02 0.00 0.00 55.36 56.92 2pk0 s GLN 209 Cb 0.19 -1.77 0.23 0.00 1.00 0.00 0.00 33.01 32.66 2pk0 s GLN 209 CO 0.54 -2.39 1.76 0.39 -2.12 0.00 0.00 175.29 173.47 2pk0 n GLU 210 N -4.05 4.12 -4.43 2.91 1.02 -1.26 -4.94 120.64 114.00 2pk0 n GLU 210 Ca 0.10 -3.98 -0.22 0.00 -0.02 0.00 0.00 57.16 53.05 2pk0 n GLU 210 Cb 0.53 -2.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 2pk0 n GLU 210 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2pk0 s LYS 211 N -1.21 1.69 0.79 3.49 1.02 -1.26 -5.15 119.74 119.10 2pk0 s LYS 211 Ca 0.37 -1.97 -0.11 0.00 0.02 0.00 0.00 55.97 54.28 2pk0 s LYS 211 Cb 0.09 -0.56 0.06 0.00 -0.52 0.00 0.00 37.83 36.90 2pk0 s LYS 211 CO 0.03 -0.34 1.09 0.95 -0.92 0.00 0.00 175.35 176.16 2pk0 s THR 212 N -3.40 3.27 0.31 2.17 -4.23 -1.26 -4.89 115.64 107.62 2pk0 s THR 212 Ca 0.32 0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2pk0 s THR 212 Cb 0.06 -3.06 0.22 0.00 1.34 0.00 0.00 72.50 71.07 2pk0 s THR 212 CO 0.15 -0.54 1.93 0.25 -0.54 0.00 0.00 174.62 175.87 2pk0 h LEU 213 N -1.10 0.81 -0.53 4.79 5.85 -2.00 -1.95 115.31 121.19 2pk0 h LEU 213 Ca -0.46 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.06 2pk0 h LEU 213 Cb 1.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2pk0 h LEU 213 CO 0.56 0.66 -0.32 0.44 -0.34 0.00 0.00 178.44 179.44 2pk0 h ASP 214 N 0.91 0.88 -0.21 1.25 3.32 -1.97 -1.20 116.42 119.40 2pk0 h ASP 214 Ca 0.23 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 2pk0 h ASP 214 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2pk0 h ASP 214 CO -0.04 1.13 -0.26 0.44 -1.72 0.00 0.00 179.24 178.79 2pk0 h ASP 215 N 0.71 0.70 -0.50 6.45 3.32 -1.86 -1.95 116.42 123.28 2pk0 h ASP 215 Ca 0.07 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2pk0 h ASP 215 Cb 0.88 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2pk0 h ASP 215 CO 0.08 0.93 0.06 0.11 -1.72 0.00 0.00 179.24 178.70 2pk0 h LYS 216 N 0.60 0.91 -0.25 3.56 1.57 -1.21 0.27 116.57 122.01 2pk0 h LYS 216 Ca 0.08 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 2pk0 h LYS 216 Cb 0.75 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2pk0 h LYS 216 CO 0.06 0.86 -0.33 -0.97 -0.57 0.00 0.00 179.45 178.50 2pk0 h ASN 217 N 0.85 0.55 -0.14 0.86 -0.73 -1.03 -1.31 115.58 114.64 2pk0 h ASN 217 Ca 0.17 -0.22 -0.21 0.00 1.87 0.00 0.00 56.30 57.91 2pk0 h ASN 217 Cb 0.42 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.87 2pk0 h ASN 217 CO 0.01 0.85 -0.72 -0.61 -0.37 0.00 0.00 177.43 176.59 2pk0 h GLN 218 N 0.45 0.77 -0.57 6.67 5.75 -1.09 -3.11 115.11 123.98 2pk0 h GLN 218 Ca 0.05 -0.60 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2pk0 h GLN 218 Cb 0.80 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 2pk0 h GLN 218 CO 0.06 1.21 0.37 -0.44 -2.65 0.00 0.00 178.83 177.39 2pk0 h ASP 219 N 0.54 0.66 -0.60 -0.69 3.32 -0.76 -0.83 116.42 118.07 2pk0 h ASP 219 Ca -0.04 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2pk0 h ASP 219 Cb 1.34 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2pk0 h ASP 219 CO 0.15 0.48 0.38 -0.07 -1.72 0.00 0.00 179.24 178.46 2pk0 h LEU 220 N 0.78 0.62 0.00 1.55 3.38 -1.22 -1.45 115.31 118.98 2pk0 h LEU 220 Ca 0.21 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 2pk0 h LEU 220 Cb -0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2pk0 h LEU 220 CO -0.04 0.44 -1.29 0.16 0.09 0.00 0.00 178.44 177.80 2pk0 h ILE 221 N 0.75 1.36 -0.43 1.22 -0.00 -1.24 -1.52 117.51 117.66 2pk0 h ILE 221 Ca 0.23 -3.13 -0.00 0.00 -0.00 0.00 0.00 64.86 61.96 2pk0 h ILE 221 Cb -0.01 2.68 -0.02 0.00 -0.00 0.00 0.00 36.82 39.46 2pk0 h ILE 221 CO -0.08 0.78 0.25 0.74 -0.00 0.00 0.00 178.15 179.83 2pk0 h THR 222 N 0.00 1.14 0.03 0.16 2.02 -1.19 0.11 112.91 115.19 2pk0 h THR 222 Ca -0.12 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 2pk0 h THR 222 Cb 1.87 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2pk0 h THR 222 CO 0.11 0.15 -0.01 0.25 0.37 0.00 0.00 175.52 176.38 2pk0 h LEU 223 N 0.56 -0.03 -0.86 2.58 5.85 -1.23 0.73 115.31 122.91 2pk0 h LEU 223 Ca 0.15 -0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.88 2pk0 h LEU 223 Cb 0.02 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 2pk0 h LEU 223 CO -0.03 0.16 0.39 0.00 -0.34 0.00 0.00 178.44 178.62 2pk0 h ALA 224 N 0.74 1.32 -0.21 1.25 0.00 -1.08 -0.18 119.26 121.10 2pk0 h ALA 224 Ca -0.00 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2pk0 h ALA 224 Cb 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2pk0 h ALA 224 CO 0.01 -0.25 -0.42 -0.91 0.00 0.00 0.00 179.25 177.68 2pk0 h ASN 225 N 0.47 0.54 -0.47 0.00 2.35 -0.49 -1.91 115.58 116.07 2pk0 h ASN 225 Ca 0.51 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2pk0 h ASN 225 Cb 0.87 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2pk0 h ASN 225 CO -0.46 0.89 -0.06 0.45 -1.65 0.00 0.00 177.43 176.61 2pk0 h HIS 226 N 0.41 1.01 0.00 1.19 3.86 0.11 -2.85 115.15 118.88 2pk0 h HIS 226 Ca 0.03 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2pk0 h HIS 226 Cb 0.91 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2pk0 h HIS 226 CO 0.03 0.93 0.00 0.54 0.86 0.00 0.00 177.93 180.30 2pk0 n ARG 227 N -4.17 0.96 0.00 2.45 5.12 -0.17 -4.87 116.66 115.99 2pk0 n ARG 227 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2pk0 n ARG 227 Cb 0.36 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 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 0.78 2.94 3.19 -0.13 0.00 -1.08 -4.95 105.19 105.94 2pk0 n GLY 228 Ca 0.16 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.27 0.08 -0.02 0.00 -0.74 -4.50 105.19 99.74 2pk0 n GLY 229 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.14 0.44 -3.96 0.99 4.77 -1.26 -0.56 117.00 113.29 2pk0 n LEU 230 Ca 0.00 0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 56.49 2pk0 n LEU 230 Cb 0.55 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 2pk0 n LEU 230 CO 0.52 -0.42 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.45 2pk0 s ASP 231 N -3.82 0.12 0.27 -1.43 2.15 -1.26 -4.67 116.67 108.02 2pk0 s ASP 231 Ca 0.06 -0.85 -0.31 0.00 0.43 0.00 0.00 52.55 51.88 2pk0 s ASP 231 Cb 0.10 0.38 -0.12 0.00 -0.30 0.00 0.00 42.92 42.98 2pk0 s ASP 231 CO 0.37 -0.81 1.59 0.59 -0.17 0.00 0.00 175.17 176.74 2pk0 n ASN 232 N -0.14 3.71 -4.31 -0.34 5.03 -1.24 -4.39 115.26 113.58 2pk0 n ASN 232 Ca -0.10 1.13 -0.34 0.00 0.87 0.00 0.00 54.58 56.14 2pk0 n ASN 232 Cb 0.63 -1.56 -0.14 0.00 -1.02 0.00 0.00 39.78 37.68 2pk0 n ASN 232 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pk0 s ILE 233 N 0.22 3.07 -0.02 2.41 1.01 -0.67 -3.55 121.20 123.67 2pk0 s ILE 233 Ca 0.67 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2pk0 s ILE 233 Cb -0.52 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.61 2pk0 s ILE 233 CO 0.46 0.48 -0.06 -0.89 0.00 0.00 0.00 174.94 174.92 2pk0 s THR 234 N 1.03 0.56 -0.01 2.92 2.01 -1.26 -0.54 115.64 120.36 2pk0 s THR 234 Ca -0.00 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2pk0 s THR 234 Cb -0.15 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.84 2pk0 s THR 234 CO -0.01 0.19 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.42 2pk0 s VAL 235 N 0.35 0.07 -0.06 3.82 1.01 -0.20 -1.64 120.40 123.74 2pk0 s VAL 235 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2pk0 s VAL 235 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2pk0 s VAL 235 CO 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 175.10 175.01 2pk0 s ALA 236 N 0.33 2.63 -0.02 5.51 0.00 0.14 -1.62 121.76 128.74 2pk0 s ALA 236 Ca -0.03 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.01 2pk0 s ALA 236 Cb -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2pk0 s ALA 236 CO -0.01 0.50 -0.17 -0.51 0.00 0.00 0.00 175.76 175.57 2pk0 s LEU 237 N -0.54 2.02 -0.17 0.00 1.43 -0.36 -0.74 118.68 120.32 2pk0 s LEU 237 Ca 0.07 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2pk0 s LEU 237 Cb -0.12 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.25 2pk0 s LEU 237 CO 0.01 0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.02 2pk0 s VAL 238 N -0.35 1.40 -0.25 -1.59 1.01 -0.85 -1.30 120.40 118.46 2pk0 s VAL 238 Ca 0.05 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2pk0 s VAL 238 Cb -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2pk0 s VAL 238 CO -0.00 0.21 0.22 -0.47 0.00 0.00 0.00 175.10 175.05 2pk0 s TYR 239 N 1.52 3.28 -0.42 5.22 5.04 -0.50 -1.15 117.35 130.34 2pk0 s TYR 239 Ca 0.01 0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.68 2pk0 s TYR 239 Cb -0.15 -2.37 0.02 0.00 0.35 0.00 0.00 41.96 39.81 2pk0 s TYR 239 CO -0.08 -0.05 0.66 0.08 -1.34 0.00 0.00 175.55 174.81 2pk0 s VAL 240 N 1.43 4.82 -0.23 3.14 1.01 -0.71 -1.82 120.40 128.04 2pk0 s VAL 240 Ca 0.09 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 2pk0 s VAL 240 Cb -0.15 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2pk0 s VAL 240 CO 0.08 -0.54 1.45 -0.70 0.00 0.00 0.00 175.10 175.39 2pk0 s GLU 241 N 2.84 3.93 0.00 2.72 2.12 -1.02 0.46 118.70 129.75 2pk0 s GLU 241 Ca 0.24 1.55 0.09 0.00 0.36 0.00 0.00 54.97 57.20 2pk0 s GLU 241 Cb -0.14 -3.94 0.52 0.00 0.26 0.00 0.00 34.13 30.83 2pk0 s GLU 241 CO 0.18 -1.11 0.97 0.45 -0.54 0.00 0.00 175.26 175.21