#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wm2 n GLY -1 N 0.00 2.71 3.53 1.57 0.00 -1.26 -5.20 105.19 106.55 2wm2 n GLY -1 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wm2 n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wm2 n SER 0 N 0.00 -1.28 -3.76 1.61 7.64 -1.26 -5.02 113.62 111.56 2wm2 n SER 0 Ca 0.00 -1.47 -0.28 0.00 1.01 0.00 0.00 58.87 58.13 2wm2 n SER 0 Cb 0.00 2.03 0.02 0.00 -1.01 0.00 0.00 64.21 65.25 2wm2 n SER 0 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2wm2 n MET 1 N -0.76 -2.43 -0.06 1.43 2.00 -1.26 -4.90 117.12 111.14 2wm2 n MET 1 Ca 0.02 0.47 -0.13 0.00 0.00 0.00 0.00 57.70 58.06 2wm2 n MET 1 Cb 0.52 -4.43 -0.14 0.00 0.00 0.00 0.00 33.22 29.17 2wm2 n MET 1 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2wm2 n THR 2 N -4.25 1.54 -0.09 2.03 -2.24 -1.26 -4.45 114.28 105.55 2wm2 n THR 2 Ca -0.19 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.71 2wm2 n THR 2 Cb 0.63 -1.00 0.09 0.00 -2.10 0.00 0.00 70.33 67.96 2wm2 n THR 2 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wm2 n ASP 3 N -3.04 3.37 -0.10 3.42 9.92 -1.26 -2.88 116.55 125.98 2wm2 n ASP 3 Ca -0.30 -2.78 -0.14 0.00 -0.53 0.00 0.00 54.79 51.04 2wm2 n ASP 3 Cb 1.08 -0.67 -0.14 0.00 -0.64 0.00 0.00 41.12 40.75 2wm2 n ASP 3 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wm2 n THR 4 N -0.30 1.47 1.38 -3.53 -1.04 -1.26 -4.36 114.28 106.63 2wm2 n THR 4 Ca 0.29 -0.72 0.11 0.00 -2.04 0.00 0.00 64.05 61.69 2wm2 n THR 4 Cb 1.07 -0.97 0.63 0.00 -1.82 0.00 0.00 70.33 69.24 2wm2 n THR 4 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wm2 n TYR 5 N -3.03 0.00 -2.47 -1.42 0.53 -1.14 -4.79 117.16 104.85 2wm2 n TYR 5 Ca -0.38 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.08 2wm2 n TYR 5 Cb 1.08 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 39.36 2wm2 n TYR 5 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2wm2 s LEU 6 N -1.97 4.17 0.33 7.72 2.96 -1.26 -2.13 118.68 128.49 2wm2 s LEU 6 Ca 0.32 1.63 0.08 0.00 -0.22 0.00 0.00 54.13 55.95 2wm2 s LEU 6 Cb 0.15 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 2wm2 s LEU 6 CO 0.25 -0.74 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.45 2wm2 s HIS 7 N 3.43 2.26 -0.00 5.38 3.76 -0.20 -4.98 115.29 124.93 2wm2 s HIS 7 Ca 0.53 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2wm2 s HIS 7 Cb -0.20 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 2wm2 s HIS 7 CO 0.13 0.48 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.40 2wm2 s GLU 8 N -3.65 0.81 0.11 1.40 2.12 -1.26 -1.36 118.70 116.86 2wm2 s GLU 8 Ca 0.32 -0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 2wm2 s GLU 8 Cb 0.03 -0.77 0.02 0.00 0.26 0.00 0.00 34.13 33.66 2wm2 s GLU 8 CO 0.15 0.21 0.31 -0.08 -0.54 0.00 0.00 175.26 175.31 2wm2 s THR 9 N -0.34 0.10 -0.15 -1.70 -1.32 -0.72 -5.01 115.64 106.50 2wm2 s THR 9 Ca 0.03 -0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 59.45 2wm2 s THR 9 Cb -0.04 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.66 2wm2 s THR 9 CO -0.00 -0.46 0.62 -0.22 -2.21 0.00 0.00 174.62 172.34 2wm2 s LEU 10 N -2.83 4.21 -0.29 9.08 2.96 -1.26 -1.28 118.68 129.26 2wm2 s LEU 10 Ca 0.04 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 2wm2 s LEU 10 Cb 0.03 -2.90 0.08 0.00 0.50 0.00 0.00 46.19 43.90 2wm2 s LEU 10 CO -0.11 -0.19 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.03 2wm2 s VAL 11 N 1.42 1.86 0.00 1.68 1.01 0.12 -4.97 120.40 121.52 2wm2 s VAL 11 Ca 0.30 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.54 2wm2 s VAL 11 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2wm2 s VAL 11 CO 0.12 -0.34 0.00 0.49 0.00 0.00 0.00 175.10 175.37 2wm2 n PHE 12 N 4.49 0.00 -0.03 5.22 3.72 -1.26 -1.34 117.46 128.26 2wm2 n PHE 12 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.20 2wm2 n PHE 12 Cb 0.43 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 2wm2 n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2wm2 h ASP 13 N 0.00 0.28 -3.25 4.37 3.32 -2.02 -3.48 116.42 115.64 2wm2 h ASP 13 Ca 0.00 -0.62 -0.57 0.00 0.02 0.00 0.00 57.03 55.86 2wm2 h ASP 13 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2wm2 h ASP 13 CO 0.00 0.85 -0.17 0.20 -1.72 0.00 0.00 179.24 178.40 2wm2 s ASN 14 N -6.19 6.69 -0.23 6.45 -0.87 -0.45 -5.05 114.94 115.29 2wm2 s ASN 14 Ca -0.15 0.90 -0.27 0.00 -1.57 0.00 0.00 52.86 51.77 2wm2 s ASN 14 Cb 0.03 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 2wm2 s ASN 14 CO 0.74 0.10 0.96 -0.54 -2.57 0.00 0.00 177.10 175.78 2wm2 s LYS 15 N -2.14 4.23 -0.06 -0.60 1.02 -1.26 0.10 119.74 121.04 2wm2 s LYS 15 Ca 0.38 1.19 0.05 0.00 0.02 0.00 0.00 55.97 57.61 2wm2 s LYS 15 Cb -0.14 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 2wm2 s LYS 15 CO 0.19 -0.58 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.33 2wm2 s LEU 16 N 3.04 2.36 0.37 3.17 1.43 -0.41 -4.86 118.68 123.79 2wm2 s LEU 16 Ca 0.40 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2wm2 s LEU 16 Cb -0.15 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2wm2 s LEU 16 CO 0.07 0.28 0.65 -0.94 0.23 0.00 0.00 176.35 176.63 2wm2 s SER 17 N -0.33 6.36 -0.10 2.29 1.04 -1.26 -1.76 113.70 119.94 2wm2 s SER 17 Ca 0.02 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.91 2wm2 s SER 17 Cb -0.13 -2.17 0.09 0.00 0.10 0.00 0.00 66.02 63.92 2wm2 s SER 17 CO 0.02 -0.36 0.81 -0.72 0.98 0.00 0.00 173.24 173.98 2wm2 s TYR 18 N -2.37 -0.55 0.27 5.02 1.13 -0.46 -1.37 117.35 119.02 2wm2 s TYR 18 Ca 0.45 0.95 -0.19 0.00 -1.41 0.00 0.00 57.07 56.87 2wm2 s TYR 18 Cb -0.10 0.42 -0.09 0.00 -1.10 0.00 0.00 41.96 41.09 2wm2 s TYR 18 CO 0.36 -0.50 0.75 0.42 -2.51 0.00 0.00 175.55 174.07 2wm2 s ILE 19 N -1.11 4.57 -0.30 -3.49 -1.09 0.28 -1.03 121.20 119.02 2wm2 s ILE 19 Ca -0.07 1.22 -0.07 0.00 -2.23 0.00 0.00 60.65 59.49 2wm2 s ILE 19 Cb -0.00 -3.78 0.17 0.00 -1.58 0.00 0.00 42.46 37.27 2wm2 s ILE 19 CO 0.06 0.05 0.77 -0.62 -1.23 0.00 0.00 174.94 173.97 2wm2 s ASP 20 N -1.88 -1.02 0.00 3.58 -1.08 -0.91 -1.88 116.67 113.48 2wm2 s ASP 20 Ca 0.48 0.86 0.32 0.00 -0.52 0.00 0.00 52.55 53.69 2wm2 s ASP 20 Cb -0.14 1.95 1.81 0.00 -1.46 0.00 0.00 42.92 45.07 2wm2 s ASP 20 CO 0.20 -0.19 2.17 -0.46 0.52 0.00 0.00 175.17 177.41 2wm2 n ASN 21 N 5.38 0.17 -0.69 -0.34 0.23 -1.16 -4.72 115.26 114.13 2wm2 n ASN 21 Ca -0.05 -1.04 -0.06 0.00 -0.53 0.00 0.00 54.58 52.90 2wm2 n ASN 21 Cb 0.51 -0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 2wm2 n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wm2 n GLN 22 N -0.87 -1.59 -1.67 -3.83 6.02 -1.26 -4.82 117.38 109.35 2wm2 n GLN 22 Ca 0.23 0.44 -0.49 0.00 -0.01 0.00 0.00 57.00 57.18 2wm2 n GLN 22 Cb 0.14 -4.31 -0.05 0.00 1.02 0.00 0.00 30.24 27.05 2wm2 n GLN 22 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2wm2 n ARG 23 N -0.67 2.11 -2.76 -1.09 3.00 -1.26 -4.89 116.66 111.09 2wm2 n ARG 23 Ca -0.06 0.76 -0.43 0.00 -0.00 0.00 0.00 57.85 58.13 2wm2 n ARG 23 Cb 0.30 -2.64 -0.04 0.00 0.00 0.00 0.00 32.46 30.08 2wm2 n ARG 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wm2 s ASP 24 N 4.31 6.52 0.31 6.15 -1.08 -1.26 -4.46 116.67 127.16 2wm2 s ASP 24 Ca 0.94 0.17 -0.19 0.00 -0.52 0.00 0.00 52.55 52.95 2wm2 s ASP 24 Cb -0.70 -2.48 0.06 0.00 -1.46 0.00 0.00 42.92 38.34 2wm2 s ASP 24 CO 0.52 -1.12 0.85 0.28 0.52 0.00 0.00 175.17 176.21 2wm2 s THR 25 N 3.97 0.00 0.34 1.71 -1.32 -1.26 -5.07 115.64 114.00 2wm2 s THR 25 Ca 0.39 -0.88 -0.28 0.00 -1.21 0.00 0.00 61.69 59.71 2wm2 s THR 25 Cb -0.09 -2.70 -0.10 0.00 -1.51 0.00 0.00 72.50 68.10 2wm2 s THR 25 CO 0.27 0.00 1.22 -1.81 -2.21 0.00 0.00 174.62 172.09 2wm2 s ASP 26 N -3.12 6.81 1.24 8.08 1.01 -1.26 -4.95 116.67 124.48 2wm2 s ASP 26 Ca 0.16 2.50 -0.16 0.00 0.71 0.00 0.00 52.55 55.76 2wm2 s ASP 26 Cb -0.04 -2.63 0.30 0.00 1.01 0.00 0.00 42.92 41.56 2wm2 s ASP 26 CO 0.09 -0.48 1.01 -0.83 0.21 0.00 0.00 175.17 175.16 2wm2 s GLY 27 N -0.75 1.50 0.61 0.21 0.00 -1.26 -4.83 107.32 102.80 2wm2 s GLY 27 Ca 0.50 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.68 2wm2 s GLY 27 CO 0.46 0.35 0.93 2.56 0.00 0.00 0.00 173.10 177.41 2wm2 s PRO 28 N -4.80 2.95 0.48 2.90 0.04 -1.26 -4.86 135.00 130.44 2wm2 s PRO 28 Ca 0.68 0.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.61 2wm2 s PRO 28 Cb -0.19 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2wm2 s PRO 28 CO 0.61 -0.74 1.15 0.00 0.04 0.00 0.00 177.00 178.06 2wm2 s ALA 29 N -3.05 2.92 -0.30 8.56 0.00 -0.69 -4.65 121.76 124.54 2wm2 s ALA 29 Ca 0.54 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2wm2 s ALA 29 Cb -0.11 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2wm2 s ALA 29 CO 0.47 -0.66 0.24 0.42 0.00 0.00 0.00 175.76 176.23 2wm2 s ILE 30 N -1.60 5.27 -0.48 0.00 1.01 -0.46 0.13 121.20 125.07 2wm2 s ILE 30 Ca 0.65 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.31 2wm2 s ILE 30 Cb -0.27 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.68 2wm2 s ILE 30 CO 0.32 0.15 0.39 -0.22 0.00 0.00 0.00 174.94 175.59 2wm2 s LEU 31 N 1.82 5.71 -0.51 2.97 2.96 -0.49 -1.48 118.68 129.67 2wm2 s LEU 31 Ca 0.08 -1.56 -0.22 0.00 -0.22 0.00 0.00 54.13 52.21 2wm2 s LEU 31 Cb -0.16 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.43 2wm2 s LEU 31 CO 0.11 -0.69 0.79 -0.76 -1.32 0.00 0.00 176.35 174.47 2wm2 s LEU 32 N 1.56 4.43 -0.21 -0.68 1.43 -0.23 0.12 118.68 125.09 2wm2 s LEU 32 Ca 0.04 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2wm2 s LEU 32 Cb -0.26 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2wm2 s LEU 32 CO 0.04 -1.02 0.38 -0.76 0.23 0.00 0.00 176.35 175.21 2wm2 s LEU 33 N 3.31 4.13 0.64 1.79 1.43 0.01 -4.07 118.68 125.93 2wm2 s LEU 33 Ca 0.25 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2wm2 s LEU 33 Cb -0.15 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2wm2 s LEU 33 CO 0.18 -0.08 1.04 -2.84 0.23 0.00 0.00 176.35 174.87 2wm2 s PRO 34 N 1.41 3.31 0.00 1.29 0.02 -1.26 -2.74 135.00 137.03 2wm2 s PRO 34 Ca 0.18 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.78 2wm2 s PRO 34 Cb -0.15 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2wm2 s PRO 34 CO 0.08 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2wm2 n GLY 35 N -2.81 -0.84 3.79 0.52 0.00 -1.24 -4.27 105.19 100.35 2wm2 n GLY 35 Ca 0.06 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 2wm2 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wm2 s TRP 36 N -0.00 3.70 -1.50 1.61 0.52 -1.26 -4.28 118.94 117.72 2wm2 s TRP 36 Ca 0.00 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.69 2wm2 s TRP 36 Cb 0.00 -2.80 0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2wm2 s TRP 36 CO 0.00 0.28 0.73 0.00 0.02 0.00 0.00 176.95 177.98 2wm2 s HIS 38 N -3.19 0.04 0.22 0.00 -3.43 -1.26 -4.84 115.29 102.82 2wm2 s HIS 38 Ca 0.38 -0.61 0.03 0.00 -0.80 0.00 0.00 55.06 54.06 2wm2 s HIS 38 Cb -0.17 0.75 -0.01 0.00 -1.43 0.00 0.00 32.58 31.71 2wm2 s HIS 38 CO 0.47 -1.42 0.12 -0.40 -2.00 0.00 0.00 174.74 171.51 2wm2 n ASP 39 N -1.03 0.50 -0.60 7.38 5.68 -1.26 -4.74 116.55 122.49 2wm2 n ASP 39 Ca -0.06 -2.27 0.48 0.00 -0.50 0.00 0.00 54.79 52.44 2wm2 n ASP 39 Cb 0.60 0.75 0.75 0.00 -1.14 0.00 0.00 41.12 42.07 2wm2 n ASP 39 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2wm2 h HIS 40 N 1.48 0.00 -0.03 2.11 2.07 -1.89 -0.94 115.15 117.95 2wm2 h HIS 40 Ca -0.17 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.36 2wm2 h HIS 40 Cb 0.70 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.68 2wm2 h HIS 40 CO 0.00 0.00 0.03 0.00 -3.07 0.00 0.00 177.93 174.89 2wm2 h ARG 41 N 0.00 0.00 -0.06 5.12 3.08 -1.99 0.78 114.38 121.31 2wm2 h ARG 41 Ca 0.84 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.91 2wm2 h ARG 41 Cb 3.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 33.61 2wm2 h ARG 41 CO -0.01 0.00 0.08 -0.24 -1.07 0.00 0.00 179.97 178.73 2wm2 h VAL 42 N 0.00 0.47 -0.62 2.04 3.04 -1.57 -2.84 116.25 116.76 2wm2 h VAL 42 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2wm2 h VAL 42 Cb 0.08 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2wm2 h VAL 42 CO -0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 2wm2 n TYR 43 N -3.77 0.82 -0.05 3.17 0.53 0.27 -4.37 117.16 113.75 2wm2 n TYR 43 Ca -0.01 -0.49 -0.00 0.00 -1.02 0.00 0.00 57.90 56.37 2wm2 n TYR 43 Cb 0.17 -0.01 0.28 0.00 -1.03 0.00 0.00 39.34 38.76 2wm2 n TYR 43 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 2wm2 h LYS 44 N 3.67 0.64 -0.00 -0.72 2.10 -1.54 0.41 116.57 121.13 2wm2 h LYS 44 Ca 0.00 -0.11 -0.21 0.00 -2.00 0.00 0.00 60.65 58.33 2wm2 h LYS 44 Cb 0.92 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 2wm2 h LYS 44 CO 0.00 0.58 -0.88 1.88 -2.00 0.00 0.00 179.45 179.03 2wm2 h TYR 45 N 0.63 0.43 -0.18 0.07 -1.99 -1.83 -2.92 116.97 111.19 2wm2 h TYR 45 Ca 0.15 -0.23 -0.20 0.00 2.00 0.00 0.00 58.73 60.45 2wm2 h TYR 45 Cb 0.23 -0.05 0.01 0.00 2.00 0.00 0.00 36.73 38.91 2wm2 h TYR 45 CO 0.01 1.04 -0.66 1.25 -0.00 0.00 0.00 178.16 179.80 2wm2 h LEU 46 N 0.17 0.89 -0.92 3.88 5.85 -1.40 -2.98 115.31 120.79 2wm2 h LEU 46 Ca -0.06 -0.60 0.10 0.00 0.84 0.00 0.00 57.88 58.16 2wm2 h LEU 46 Cb 1.51 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2wm2 h LEU 46 CO 0.14 1.34 0.56 0.40 -0.34 0.00 0.00 178.44 180.55 2wm2 h ILE 47 N 0.49 0.93 -0.99 4.05 2.04 -0.29 -1.61 117.51 122.12 2wm2 h ILE 47 Ca -0.03 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2wm2 h ILE 47 Cb 1.28 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2wm2 h ILE 47 CO 0.14 0.17 0.64 1.56 0.00 0.00 0.00 178.15 180.66 2wm2 h GLN 48 N 0.92 1.16 0.00 2.37 4.20 -1.40 0.48 115.11 122.84 2wm2 h GLN 48 Ca 0.45 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 59.00 2wm2 h GLN 48 Cb 0.40 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2wm2 h GLN 48 CO -0.25 0.76 -0.41 0.93 -0.67 0.00 0.00 178.83 179.19 2wm2 h GLU 49 N 1.19 0.00 -0.01 1.46 4.39 -1.16 -3.30 114.58 117.16 2wm2 h GLU 49 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2wm2 h GLU 49 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2wm2 h GLU 49 CO -0.15 0.41 -0.37 1.28 -1.16 0.00 0.00 179.01 179.02 2wm2 n LEU 50 N -3.96 1.06 0.03 1.33 4.77 -0.97 -4.80 117.00 114.46 2wm2 n LEU 50 Ca -0.02 -0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 2wm2 n LEU 50 Cb 0.45 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2wm2 n LEU 50 CO 0.39 0.22 0.79 -0.78 -1.33 0.00 0.00 177.39 176.68 2wm2 h ASP 51 N 0.86 -0.33 -0.36 -1.43 3.58 -1.00 -2.13 116.42 115.61 2wm2 h ASP 51 Ca 0.00 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2wm2 h ASP 51 Cb 0.37 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2wm2 h ASP 51 CO 0.00 -0.15 -0.03 0.00 -2.88 0.00 0.00 179.24 176.17 2wm2 h ALA 52 N 0.84 0.48 0.00 -0.78 0.00 -1.86 -3.32 119.26 114.63 2wm2 h ALA 52 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wm2 h ALA 52 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wm2 h ALA 52 CO -0.14 0.28 -0.96 -0.25 0.00 0.00 0.00 179.25 178.18 2wm2 n ASP 53 N -4.46 0.65 -4.14 0.00 8.00 -1.17 -4.94 116.55 110.49 2wm2 n ASP 53 Ca -0.02 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 2wm2 n ASP 53 Cb 0.30 0.62 -0.11 0.00 -0.02 0.00 0.00 41.12 41.91 2wm2 n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wm2 s PHE 54 N -3.24 0.89 -0.24 1.24 0.08 -0.81 -4.86 117.98 111.04 2wm2 s PHE 54 Ca 0.03 -0.70 -0.26 0.00 0.12 0.00 0.00 56.93 56.12 2wm2 s PHE 54 Cb 0.13 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2wm2 s PHE 54 CO 0.78 -0.08 0.90 0.50 -0.10 0.00 0.00 175.22 177.23 2wm2 s ARG 55 N -2.81 4.21 -0.17 0.44 3.52 -1.26 -4.64 118.95 118.24 2wm2 s ARG 55 Ca 0.03 1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 56.69 2wm2 s ARG 55 Cb -0.02 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2wm2 s ARG 55 CO -0.02 -0.56 -0.08 0.08 -0.81 0.00 0.00 175.30 173.92 2wm2 s VAL 56 N 2.96 3.32 -0.06 7.11 1.01 -1.26 -1.35 120.40 132.12 2wm2 s VAL 56 Ca 0.38 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2wm2 s VAL 56 Cb -0.15 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2wm2 s VAL 56 CO 0.07 0.48 -0.21 -0.63 0.00 0.00 0.00 175.10 174.81 2wm2 s ILE 57 N 0.83 1.77 -0.30 2.22 -1.09 -0.55 -2.99 121.20 121.09 2wm2 s ILE 57 Ca -0.03 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2wm2 s ILE 57 Cb -0.15 -1.52 0.10 0.00 -1.58 0.00 0.00 42.46 39.31 2wm2 s ILE 57 CO 0.01 0.50 0.09 -0.69 -1.23 0.00 0.00 174.94 173.62 2wm2 s VAL 58 N 0.11 0.88 0.13 2.92 1.01 -0.79 -1.07 120.40 123.58 2wm2 s VAL 58 Ca -0.09 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.25 2wm2 s VAL 58 Cb -0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 2wm2 s VAL 58 CO 0.05 -0.65 0.88 -2.16 0.00 0.00 0.00 175.10 173.22 2wm2 s PRO 59 N 1.62 4.66 0.13 2.72 0.04 -1.26 -0.56 135.00 142.35 2wm2 s PRO 59 Ca 0.09 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 2wm2 s PRO 59 Cb -0.17 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 2wm2 s PRO 59 CO -0.24 0.33 0.54 -0.80 0.04 0.00 0.00 177.00 176.87 2wm2 s ASN 60 N -0.38 6.83 0.96 6.66 0.01 -0.47 -4.43 114.94 124.12 2wm2 s ASN 60 Ca 0.42 1.07 -0.14 0.00 -0.71 0.00 0.00 52.86 53.50 2wm2 s ASN 60 Cb -0.23 -2.29 0.21 0.00 0.41 0.00 0.00 41.25 39.36 2wm2 s ASN 60 CO 0.28 0.13 1.29 0.79 -1.51 0.00 0.00 177.10 178.07 2wm2 n TRP 61 N 0.91 -3.85 -2.13 2.20 7.02 -1.26 -4.55 117.44 115.77 2wm2 n TRP 61 Ca -0.06 -1.26 -0.42 0.00 -1.02 0.00 0.00 57.50 54.74 2wm2 n TRP 61 Cb 0.52 -0.99 -0.03 0.00 -2.42 0.00 0.00 31.31 28.39 2wm2 n TRP 61 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2wm2 s ARG 62 N -5.80 4.30 -0.73 -0.99 0.52 -1.26 -1.90 118.95 113.09 2wm2 s ARG 62 Ca 0.74 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 58.06 2wm2 s ARG 62 Cb -0.02 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2wm2 s ARG 62 CO 0.52 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2wm2 n GLY 63 N 3.57 0.91 3.36 -3.53 0.00 -1.26 -4.97 105.19 103.27 2wm2 n GLY 63 Ca 0.12 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2wm2 n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wm2 s HIS 64 N -2.24 2.38 -5.00 1.61 3.76 -0.80 -3.51 115.29 111.50 2wm2 s HIS 64 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2wm2 s HIS 64 Cb 0.00 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.24 2wm2 s HIS 64 CO 0.00 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 2wm2 n GLY 65 N 1.95 -0.29 0.28 -2.22 0.00 -1.26 -4.57 105.19 99.07 2wm2 n GLY 65 Ca -0.17 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.38 2wm2 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wm2 h LEU 66 N 0.00 0.09 -7.24 0.99 3.38 -1.98 -3.29 115.31 107.26 2wm2 h LEU 66 Ca 0.00 -0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2wm2 h LEU 66 Cb 0.00 -0.02 -0.41 0.00 0.09 0.00 0.00 40.66 40.32 2wm2 h LEU 66 CO 0.00 0.06 -0.68 -0.55 0.09 0.00 0.00 178.44 177.37 2wm2 s SER 67 N -6.93 4.07 0.32 -0.43 0.15 -1.26 -5.05 113.70 104.57 2wm2 s SER 67 Ca -0.06 -2.78 -0.29 0.00 0.70 0.00 0.00 55.95 53.52 2wm2 s SER 67 Cb 0.17 -1.39 -0.10 0.00 -1.71 0.00 0.00 66.02 63.00 2wm2 s SER 67 CO 0.69 -0.26 1.32 -2.84 1.20 0.00 0.00 173.24 173.35 2wm2 s PRO 68 N 0.07 4.34 0.02 5.44 0.02 -1.24 -4.85 135.00 138.81 2wm2 s PRO 68 Ca 0.17 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.42 2wm2 s PRO 68 Cb -0.25 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 2wm2 s PRO 68 CO -0.01 -0.22 -0.04 -1.54 -0.33 0.00 0.00 177.00 174.86 2wm2 s SER 69 N -0.38 0.45 0.38 2.53 1.04 -1.23 -5.03 113.70 111.46 2wm2 s SER 69 Ca 0.50 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.25 2wm2 s SER 69 Cb -0.40 0.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.68 2wm2 s SER 69 CO 0.52 -0.20 1.24 -1.61 0.98 0.00 0.00 173.24 174.17 2wm2 s GLU 70 N -1.19 4.14 0.16 4.02 2.02 -1.26 -4.26 118.70 122.33 2wm2 s GLU 70 Ca -0.10 2.02 -0.09 0.00 0.02 0.00 0.00 54.97 56.82 2wm2 s GLU 70 Cb -0.08 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 2wm2 s GLU 70 CO -0.00 -0.30 0.28 0.14 0.02 0.00 0.00 175.26 175.40 2wm2 s VAL 71 N -1.28 0.07 0.69 2.63 -7.23 -1.26 -4.98 120.40 109.03 2wm2 s VAL 71 Ca 0.54 -1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 2wm2 s VAL 71 Cb -0.35 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2wm2 s VAL 71 CO 0.45 -0.31 1.15 -2.16 -0.31 0.00 0.00 175.10 173.93 2wm2 s PRO 72 N -3.96 2.53 0.54 4.82 0.04 -1.26 -4.95 135.00 132.76 2wm2 s PRO 72 Ca 0.16 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 2wm2 s PRO 72 Cb 0.03 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2wm2 s PRO 72 CO -0.01 -1.49 1.36 0.34 0.04 0.00 0.00 177.00 177.25 2wm2 s ASP 73 N -2.33 5.28 0.30 6.66 -1.08 -1.26 -5.03 116.67 119.21 2wm2 s ASP 73 Ca 0.70 2.78 -0.09 0.00 -0.52 0.00 0.00 52.55 55.42 2wm2 s ASP 73 Cb -0.24 -2.64 0.04 0.00 -1.46 0.00 0.00 42.92 38.62 2wm2 s ASP 73 CO 0.43 -1.56 0.56 2.22 0.52 0.00 0.00 175.17 177.33 2wm2 n PHE 74 N -1.00 -1.86 -2.89 -5.34 -1.74 -1.26 -5.15 117.46 98.21 2wm2 n PHE 74 Ca 0.10 -1.56 0.00 0.00 -0.56 0.00 0.00 57.45 55.43 2wm2 n PHE 74 Cb 0.45 0.65 0.00 0.00 1.52 0.00 0.00 39.48 42.10 2wm2 n PHE 74 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wm2 n GLY 75 N -0.43 4.07 0.24 4.97 0.00 -1.26 -4.95 105.19 107.83 2wm2 n GLY 75 Ca -0.05 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.84 2wm2 n GLY 75 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wm2 h TYR 76 N 0.27 0.00 -0.32 1.61 -0.00 -1.96 -2.38 116.97 114.19 2wm2 h TYR 76 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.61 2wm2 h TYR 76 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2wm2 h TYR 76 CO 0.00 0.20 -0.28 1.96 -0.00 0.00 0.00 178.16 180.04 2wm2 h GLN 77 N 0.00 0.66 -0.30 0.10 7.50 -1.97 -1.87 115.11 119.23 2wm2 h GLN 77 Ca -0.00 -0.28 -0.18 0.00 0.50 0.00 0.00 58.65 58.69 2wm2 h GLN 77 Cb 0.56 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.07 2wm2 h GLN 77 CO 0.03 0.86 -0.53 0.93 -1.50 0.00 0.00 178.83 178.62 2wm2 h GLU 78 N 0.57 0.88 -0.83 1.46 3.07 -1.86 -2.97 114.58 114.89 2wm2 h GLU 78 Ca 0.07 -0.55 0.08 0.00 -0.50 0.00 0.00 59.36 58.47 2wm2 h GLU 78 Cb 0.77 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.67 2wm2 h GLU 78 CO 0.06 1.18 0.49 1.96 -1.40 0.00 0.00 179.01 181.31 2wm2 h GLN 79 N 0.68 0.83 0.52 2.33 4.20 -1.27 -0.28 115.11 122.12 2wm2 h GLN 79 Ca 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2wm2 h GLN 79 Cb 1.14 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2wm2 h GLN 79 CO 0.12 0.55 -0.37 0.28 -0.67 0.00 0.00 178.83 178.74 2wm2 h VAL 80 N 0.85 0.00 -0.73 -0.54 2.07 -1.32 -0.67 116.25 115.92 2wm2 h VAL 80 Ca 0.39 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.07 2wm2 h VAL 80 Cb 0.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 2wm2 h VAL 80 CO -0.22 0.00 0.17 0.11 0.02 0.00 0.00 177.57 177.65 2wm2 h LYS 81 N -0.84 0.25 -0.98 1.57 1.57 -1.34 0.70 116.57 117.50 2wm2 h LYS 81 Ca -0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2wm2 h LYS 81 Cb 0.69 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 2wm2 h LYS 81 CO 0.04 0.17 0.64 -0.44 -0.57 0.00 0.00 179.45 179.29 2wm2 h ASP 82 N 0.26 1.06 -0.17 0.86 3.32 -0.91 -0.38 116.42 120.46 2wm2 h ASP 82 Ca 0.41 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 2wm2 h ASP 82 Cb 0.70 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2wm2 h ASP 82 CO -0.51 0.72 -0.05 0.00 -1.72 0.00 0.00 179.24 177.67 2wm2 h ALA 83 N 1.41 0.24 -0.53 3.45 0.00 0.68 -2.69 119.26 121.82 2wm2 h ALA 83 Ca 0.40 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wm2 h ALA 83 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wm2 h ALA 83 CO -0.13 0.02 0.15 -0.07 0.00 0.00 0.00 179.25 179.22 2wm2 h LEU 84 N 0.04 0.74 -0.60 0.00 3.38 -0.96 -0.99 115.31 116.91 2wm2 h LEU 84 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2wm2 h LEU 84 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2wm2 h LEU 84 CO 0.02 0.71 0.24 -0.08 0.09 0.00 0.00 178.44 179.42 2wm2 h GLU 85 N 0.78 0.90 -0.27 1.13 4.57 -1.01 -0.10 114.58 120.58 2wm2 h GLU 85 Ca 0.18 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2wm2 h GLU 85 Cb 0.25 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2wm2 h GLU 85 CO -0.01 0.76 0.18 0.82 -1.18 0.00 0.00 179.01 179.58 2wm2 h ILE 86 N 0.83 1.07 -0.34 2.32 2.04 -1.16 -1.75 117.51 120.52 2wm2 h ILE 86 Ca 0.20 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2wm2 h ILE 86 Cb 0.20 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2wm2 h ILE 86 CO -0.02 0.07 0.16 -0.07 0.00 0.00 0.00 178.15 178.30 2wm2 h LEU 87 N 0.36 0.41 0.53 1.44 3.38 -0.74 -1.01 115.31 119.68 2wm2 h LEU 87 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wm2 h LEU 87 Cb -0.04 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2wm2 h LEU 87 CO -0.02 0.35 -0.26 0.44 0.09 0.00 0.00 178.44 179.04 2wm2 h ASP 88 N 0.47 -0.61 -0.96 -0.43 3.32 -0.85 -0.61 116.42 116.74 2wm2 h ASP 88 Ca 0.12 0.02 0.31 0.00 0.02 0.00 0.00 57.03 57.50 2wm2 h ASP 88 Cb 0.05 0.16 -0.16 0.00 0.22 0.00 0.00 39.33 39.59 2wm2 h ASP 88 CO -0.02 -0.25 0.37 1.56 -1.72 0.00 0.00 179.24 179.18 2wm2 h GLN 89 N -1.08 0.15 -0.00 3.56 4.20 -1.08 1.76 115.11 122.62 2wm2 h GLN 89 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2wm2 h GLN 89 Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2wm2 h GLN 89 CO 0.12 0.10 -0.00 1.28 -0.67 0.00 0.00 178.83 179.66 2wm2 n LEU 90 N -5.23 0.13 -3.49 1.46 4.77 -0.41 -4.92 117.00 109.31 2wm2 n LEU 90 Ca 0.29 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 56.03 2wm2 n LEU 90 Cb 0.93 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 42.02 2wm2 n LEU 90 CO 0.04 0.02 0.14 0.61 -1.33 0.00 0.00 177.39 176.87 2wm2 n GLY 91 N 1.06 -0.53 3.80 -0.72 0.00 0.60 -4.98 105.19 104.43 2wm2 n GLY 91 Ca 0.22 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 2wm2 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wm2 s VAL 92 N -3.26 5.34 -0.01 1.61 1.01 -0.27 -5.02 120.40 119.80 2wm2 s VAL 92 Ca 0.52 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 2wm2 s VAL 92 Cb -0.24 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 2wm2 s VAL 92 CO 0.64 0.52 -0.02 1.21 0.00 0.00 0.00 175.10 177.44 2wm2 n GLU 93 N 2.66 0.03 -3.75 2.72 4.07 -1.26 -4.60 120.64 120.51 2wm2 n GLU 93 Ca -0.16 0.01 -0.35 0.00 -0.06 0.00 0.00 57.16 56.60 2wm2 n GLU 93 Cb 0.53 -0.46 -0.08 0.00 -0.06 0.00 0.00 31.44 31.37 2wm2 n GLU 93 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2wm2 s THR 94 N -1.14 5.38 0.04 6.31 -1.32 -1.26 -4.78 115.64 118.86 2wm2 s THR 94 Ca -0.02 0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.64 2wm2 s THR 94 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 72.50 67.51 2wm2 s THR 94 CO 0.03 0.45 -0.03 0.72 -2.21 0.00 0.00 174.62 173.58 2wm2 s PHE 95 N 0.30 0.40 -0.42 9.09 -0.12 -0.82 -1.71 117.98 124.70 2wm2 s PHE 95 Ca 0.08 -0.82 -0.06 0.00 -0.05 0.00 0.00 56.93 56.07 2wm2 s PHE 95 Cb -0.11 -0.30 0.10 0.00 -0.63 0.00 0.00 43.02 42.08 2wm2 s PHE 95 CO -0.02 -0.29 0.24 -1.17 -0.05 0.00 0.00 175.22 173.93 2wm2 s LEU 96 N -2.26 5.21 0.22 -1.99 2.96 0.36 -4.34 118.68 118.84 2wm2 s LEU 96 Ca -0.03 -1.76 -0.30 0.00 -0.22 0.00 0.00 54.13 51.82 2wm2 s LEU 96 Cb -0.00 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.69 2wm2 s LEU 96 CO -0.06 -0.55 1.08 -2.16 -1.32 0.00 0.00 176.35 173.34 2wm2 s PRO 97 N 1.30 4.64 -0.10 0.98 0.04 -1.26 -1.39 135.00 139.20 2wm2 s PRO 97 Ca 0.05 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2wm2 s PRO 97 Cb -0.23 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.09 2wm2 s PRO 97 CO -0.01 0.17 -0.03 0.08 0.04 0.00 0.00 177.00 177.25 2wm2 s VAL 98 N -0.65 0.71 0.12 -0.36 1.01 0.12 -1.89 120.40 119.44 2wm2 s VAL 98 Ca 0.47 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2wm2 s VAL 98 Cb -0.30 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2wm2 s VAL 98 CO 0.37 0.29 -0.01 -0.94 0.00 0.00 0.00 175.10 174.80 2wm2 s SER 99 N 1.84 4.87 -0.18 3.32 1.04 -0.53 -0.81 113.70 123.25 2wm2 s SER 99 Ca 0.05 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 2wm2 s SER 99 Cb -0.13 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 2wm2 s SER 99 CO -0.07 0.15 0.03 -2.28 0.98 0.00 0.00 173.24 172.05 2wm2 s HIS 100 N -1.41 3.16 0.00 5.02 2.46 -1.11 0.10 115.29 123.52 2wm2 s HIS 100 Ca 0.26 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.70 2wm2 s HIS 100 Cb -0.11 -2.05 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 2wm2 s HIS 100 CO 0.18 0.05 0.00 0.45 -2.47 0.00 0.00 174.74 172.95 2wm2 n SER 101 N 3.65 0.00 -0.02 9.88 2.88 0.43 -1.31 113.62 129.13 2wm2 n SER 101 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2wm2 n SER 101 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2wm2 n SER 101 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wm2 n HIS 102 N 14.00 0.00 0.65 0.66 -0.00 -1.26 -1.15 115.22 128.11 2wm2 n HIS 102 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2wm2 n HIS 102 Cb 0.00 -0.00 0.36 0.00 -0.00 0.00 0.00 29.99 30.35 2wm2 n HIS 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wm2 n GLY 103 N 0.47 -0.85 0.20 -1.41 0.00 -0.43 -3.39 105.19 99.79 2wm2 n GLY 103 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.01 2wm2 n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wm2 h GLY 104 N 2.49 0.00 1.00 -0.02 0.00 -1.31 -1.55 103.07 103.68 2wm2 h GLY 104 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2wm2 h GLY 104 CO 0.00 0.00 0.24 1.49 0.00 0.00 0.00 176.54 178.27 2wm2 h TRP 105 N 0.00 0.91 -0.13 5.60 4.06 -1.81 -0.41 115.95 124.16 2wm2 h TRP 105 Ca -0.00 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 2wm2 h TRP 105 Cb 0.71 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 2wm2 h TRP 105 CO 0.00 0.72 0.08 0.28 -3.56 0.00 0.00 178.44 175.96 2wm2 h VAL 106 N 0.83 1.07 -0.78 1.49 2.07 -1.68 -2.41 116.25 116.83 2wm2 h VAL 106 Ca 0.20 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2wm2 h VAL 106 Cb 0.20 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2wm2 h VAL 106 CO -0.02 0.06 0.51 0.25 0.02 0.00 0.00 177.57 178.40 2wm2 h LEU 107 N 0.15 0.88 -0.40 2.57 6.46 -1.04 0.26 115.31 124.19 2wm2 h LEU 107 Ca 0.05 -0.02 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 2wm2 h LEU 107 Cb 0.03 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 2wm2 h LEU 107 CO -0.01 0.63 -0.80 0.58 -0.62 0.00 0.00 178.44 178.22 2wm2 h VAL 108 N 1.04 1.52 0.00 1.05 2.07 -1.03 -0.77 116.25 120.13 2wm2 h VAL 108 Ca 0.29 -2.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.08 2wm2 h VAL 108 Cb -0.09 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2wm2 h VAL 108 CO -0.07 0.75 -0.68 -0.08 0.02 0.00 0.00 177.57 177.50 2wm2 h GLU 109 N 0.06 0.00 -0.31 1.57 4.57 -1.32 -3.07 114.58 116.08 2wm2 h GLU 109 Ca -0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 2wm2 h GLU 109 Cb 1.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 2wm2 h GLU 109 CO 0.11 0.68 -0.15 1.25 -1.18 0.00 0.00 179.01 179.72 2wm2 h LEU 110 N 0.00 0.68 -1.00 1.64 5.85 -0.22 -1.83 115.31 120.42 2wm2 h LEU 110 Ca -0.01 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2wm2 h LEU 110 Cb 1.52 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 2wm2 h LEU 110 CO 0.09 0.93 0.64 -0.07 -0.34 0.00 0.00 178.44 179.69 2wm2 h LEU 111 N 0.42 0.97 0.04 2.25 3.38 -1.22 -1.24 115.31 119.90 2wm2 h LEU 111 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wm2 h LEU 111 Cb 0.68 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wm2 h LEU 111 CO 0.05 0.56 -0.02 -0.08 0.09 0.00 0.00 178.44 179.04 2wm2 h GLU 112 N 1.07 -0.05 0.01 1.13 4.57 -1.39 -1.72 114.58 118.19 2wm2 h GLU 112 Ca 0.47 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2wm2 h GLU 112 Cb 0.36 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2wm2 h GLU 112 CO -0.23 0.33 -0.01 1.96 -1.18 0.00 0.00 179.01 179.89 2wm2 h GLN 113 N -0.44 -0.02 0.00 1.92 1.08 -1.23 -3.22 115.11 113.20 2wm2 h GLN 113 Ca -0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2wm2 h GLN 113 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2wm2 h GLN 113 CO 0.01 0.49 -0.29 0.00 -0.95 0.00 0.00 178.83 178.10 2wm2 h ALA 114 N 0.44 1.08 -1.29 3.87 0.00 -1.36 -3.50 119.26 118.51 2wm2 h ALA 114 Ca -0.00 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.78 2wm2 h ALA 114 Cb 0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2wm2 h ALA 114 CO 0.00 0.36 -0.42 0.41 0.00 0.00 0.00 179.25 179.60 2wm2 n GLY 115 N -0.01 -2.61 0.09 0.00 0.00 -0.65 -4.05 105.19 97.95 2wm2 n GLY 115 Ca -0.01 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.80 2wm2 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wm2 n PRO 116 N -3.00 0.14 0.10 1.61 -0.04 -1.26 -0.80 135.00 131.75 2wm2 n PRO 116 Ca -0.03 0.33 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 2wm2 n PRO 116 Cb 0.25 -1.75 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 2wm2 n PRO 116 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wm2 h GLU 117 N 0.00 0.43 0.17 0.54 5.08 -1.96 -3.07 114.58 115.78 2wm2 h GLU 117 Ca 0.00 -0.74 -0.01 0.00 -1.00 0.00 0.00 59.36 57.61 2wm2 h GLU 117 Cb 0.38 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wm2 h GLU 117 CO 0.00 1.36 -0.08 0.00 -1.00 0.00 0.00 179.01 179.28 2wm2 h ARG 118 N -0.05 -0.22 -3.39 2.33 3.08 -1.62 -3.42 114.38 111.09 2wm2 h ARG 118 Ca -0.23 0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.17 2wm2 h ARG 118 Cb 1.97 0.05 -0.39 0.00 0.08 0.00 0.00 29.97 31.68 2wm2 h ARG 118 CO 0.21 0.17 -0.52 0.00 -1.07 0.00 0.00 179.97 178.77 2wm2 s ALA 119 N -3.51 3.50 -0.18 0.04 0.00 0.02 -1.95 121.76 119.68 2wm2 s ALA 119 Ca -0.11 -3.38 0.23 0.00 0.00 0.00 0.00 51.96 48.71 2wm2 s ALA 119 Cb 0.00 -2.35 0.57 0.00 0.00 0.00 0.00 23.12 21.35 2wm2 s ALA 119 CO 0.41 -2.06 1.68 -1.00 0.00 0.00 0.00 175.76 174.79 2wm2 h PRO 120 N 6.48 0.00 -4.24 0.00 0.13 -1.73 -3.35 132.00 129.30 2wm2 h PRO 120 Ca -0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.91 2wm2 h PRO 120 Cb 0.89 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.90 2wm2 h PRO 120 CO 0.71 0.14 -0.39 1.03 -0.23 0.00 0.00 178.00 179.26 2wm2 s ARG 121 N -3.32 1.44 -0.16 0.86 0.52 -1.26 -4.11 118.95 112.92 2wm2 s ARG 121 Ca 0.04 -1.55 -0.24 0.00 -0.52 0.00 0.00 55.73 53.47 2wm2 s ARG 121 Cb 0.07 0.36 0.06 0.00 0.52 0.00 0.00 34.95 35.96 2wm2 s ARG 121 CO 0.66 -0.54 0.61 0.20 0.02 0.00 0.00 175.30 176.24 2wm2 s GLY 122 N -3.14 -0.47 -0.14 -3.53 0.00 -0.94 -4.19 107.32 94.92 2wm2 s GLY 122 Ca 0.33 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.55 2wm2 s GLY 122 CO 0.13 1.24 -0.14 -0.42 0.00 0.00 0.00 173.10 173.91 2wm2 s ILE 123 N -0.23 2.91 -0.12 0.90 1.01 -0.79 -1.99 121.20 122.89 2wm2 s ILE 123 Ca -0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 2wm2 s ILE 123 Cb -0.03 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2wm2 s ILE 123 CO 0.04 0.52 -0.06 0.27 0.00 0.00 0.00 174.94 175.71 2wm2 s ILE 124 N 0.52 3.74 -0.15 2.92 -4.36 -0.60 -1.45 121.20 121.82 2wm2 s ILE 124 Ca -0.09 -0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 59.83 2wm2 s ILE 124 Cb -0.16 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 2wm2 s ILE 124 CO 0.04 0.53 -0.00 -0.04 0.24 0.00 0.00 174.94 175.71 2wm2 s MET 125 N -0.03 3.60 -0.44 0.37 -1.94 0.12 -1.74 119.30 119.23 2wm2 s MET 125 Ca 0.00 -0.45 -0.20 0.00 -1.71 0.00 0.00 55.69 53.33 2wm2 s MET 125 Cb -0.13 -2.96 0.03 0.00 2.01 0.00 0.00 34.83 33.78 2wm2 s MET 125 CO 0.03 0.35 0.49 -3.47 -0.01 0.00 0.00 175.02 172.41 2wm2 n ASP 126 N 3.22 -3.96 -3.77 3.03 -0.08 -0.13 -0.42 116.55 114.43 2wm2 n ASP 126 Ca -0.17 -0.34 -0.23 0.00 -1.51 0.00 0.00 54.79 52.54 2wm2 n ASP 126 Cb 0.53 -1.20 -0.18 0.00 2.34 0.00 0.00 41.12 42.61 2wm2 n ASP 126 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2wm2 s TRP 127 N -1.66 0.65 -0.32 -0.67 -0.00 -1.26 -3.11 118.94 112.56 2wm2 s TRP 127 Ca 0.19 -0.15 -0.27 0.00 -0.00 0.00 0.00 56.10 55.87 2wm2 s TRP 127 Cb -0.02 -0.79 -0.05 0.00 -0.00 0.00 0.00 33.47 32.61 2wm2 s TRP 127 CO 0.67 -0.32 2.24 -0.51 -0.00 0.00 0.00 176.95 179.03 2wm2 s LEU 128 N 1.96 3.43 0.38 5.86 1.43 -1.26 -4.84 118.68 125.63 2wm2 s LEU 128 Ca 0.05 1.56 0.19 0.00 -1.03 0.00 0.00 54.13 54.89 2wm2 s LEU 128 Cb -0.12 -3.17 0.70 0.00 0.03 0.00 0.00 46.19 43.62 2wm2 s LEU 128 CO -0.05 -2.25 1.74 0.24 0.23 0.00 0.00 176.35 176.26 2wm2 h MET 129 N 16.37 0.00 -6.66 1.70 2.86 -1.98 -3.43 114.93 123.79 2wm2 h MET 129 Ca -0.35 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.82 2wm2 h MET 129 Cb 1.24 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.92 2wm2 h MET 129 CO 1.03 0.37 -0.10 1.67 1.06 0.00 0.00 176.91 180.94 2wm2 s TRP 130 N -3.63 3.41 0.45 -0.22 -2.14 -1.26 -3.98 118.94 111.58 2wm2 s TRP 130 Ca 0.00 0.39 -0.24 0.00 2.66 0.00 0.00 56.10 58.91 2wm2 s TRP 130 Cb 0.11 -2.12 -0.07 0.00 -3.10 0.00 0.00 33.47 28.29 2wm2 s TRP 130 CO 0.68 -0.13 1.25 0.00 -2.66 0.00 0.00 176.95 176.09 2wm2 s ALA 131 N -2.48 3.05 -0.01 2.67 0.00 -1.26 -4.85 121.76 118.88 2wm2 s ALA 131 Ca 0.44 1.11 -0.36 0.00 0.00 0.00 0.00 51.96 53.15 2wm2 s ALA 131 Cb -0.10 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 2wm2 s ALA 131 CO 0.38 -0.83 1.60 -2.30 0.00 0.00 0.00 175.76 174.61 2wm2 n PRO 132 N -0.33 1.63 -1.59 0.00 -0.02 -1.26 -4.99 135.00 128.43 2wm2 n PRO 132 Ca 0.06 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 2wm2 n PRO 132 Cb 0.46 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 2wm2 n PRO 132 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wm2 s LYS 133 N 1.99 2.95 0.25 -0.52 -0.14 -1.26 -4.73 119.74 118.27 2wm2 s LYS 133 Ca 0.88 0.92 -0.04 0.00 -1.36 0.00 0.00 55.97 56.37 2wm2 s LYS 133 Cb -0.85 -1.99 0.48 0.00 -1.68 0.00 0.00 37.83 33.78 2wm2 s LYS 133 CO 0.49 -1.08 1.71 -1.35 -0.76 0.00 0.00 175.35 174.36 2wm2 h PRO 134 N -0.70 0.35 0.09 -1.68 0.11 -1.98 0.92 132.00 129.11 2wm2 h PRO 134 Ca -0.44 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2wm2 h PRO 134 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2wm2 h PRO 134 CO 0.57 0.23 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.97 2wm2 h ASP 135 N 0.36 -0.51 -0.43 -2.05 5.19 -1.99 0.35 116.42 117.34 2wm2 h ASP 135 Ca 0.42 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.82 2wm2 h ASP 135 Cb 0.69 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2wm2 h ASP 135 CO -0.45 -0.26 -0.04 0.15 -3.12 0.00 0.00 179.24 175.51 2wm2 h PHE 136 N -0.35 0.87 -0.56 4.55 3.57 -1.81 -2.34 116.94 120.88 2wm2 h PHE 136 Ca 0.03 -0.17 0.08 0.00 3.53 0.00 0.00 57.97 61.44 2wm2 h PHE 136 Cb 0.37 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 2wm2 h PHE 136 CO -0.19 0.87 0.21 0.00 -2.23 0.00 0.00 178.31 176.97 2wm2 h ALA 137 N 0.88 0.71 -0.91 2.41 0.00 -0.59 -0.03 119.26 121.75 2wm2 h ALA 137 Ca 0.12 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2wm2 h ALA 137 Cb 0.55 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2wm2 h ALA 137 CO 0.03 -0.19 0.59 -0.22 0.00 0.00 0.00 179.25 179.45 2wm2 h LYS 138 N 0.39 0.98 -0.58 0.00 1.63 -0.12 -2.22 116.57 116.65 2wm2 h LYS 138 Ca 0.28 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2wm2 h LYS 138 Cb 0.32 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2wm2 h LYS 138 CO -0.28 0.65 0.21 0.77 -3.45 0.00 0.00 179.45 177.35 2wm2 h SER 139 N 1.01 0.82 -0.68 4.20 0.02 -0.48 -1.32 113.55 117.12 2wm2 h SER 139 Ca 0.40 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2wm2 h SER 139 Cb 0.24 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2wm2 h SER 139 CO -0.15 0.79 0.18 -0.07 -1.14 0.00 0.00 176.83 176.44 2wm2 h LEU 140 N 0.81 1.01 -0.20 5.07 3.38 -0.97 0.17 115.31 124.59 2wm2 h LEU 140 Ca 0.19 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2wm2 h LEU 140 Cb 0.24 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2wm2 h LEU 140 CO -0.01 0.97 -0.20 0.74 0.09 0.00 0.00 178.44 180.03 2wm2 h THR 141 N 1.01 0.49 -0.14 0.22 2.02 -1.11 -1.57 112.91 113.82 2wm2 h THR 141 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 2wm2 h THR 141 Cb 0.34 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2wm2 h THR 141 CO -0.00 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 2wm2 h LEU 142 N -0.22 -0.01 -0.86 2.58 4.07 -0.81 -2.83 115.31 117.22 2wm2 h LEU 142 Ca 0.12 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.27 2wm2 h LEU 142 Cb 0.40 0.04 -0.10 0.00 1.08 0.00 0.00 40.66 42.07 2wm2 h LEU 142 CO -0.32 0.01 0.44 -0.07 -1.08 0.00 0.00 178.44 177.42 2wm2 h LEU 143 N 0.07 0.50 -0.80 1.67 3.38 -0.35 -1.51 115.31 118.27 2wm2 h LEU 143 Ca 0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wm2 h LEU 143 Cb 0.06 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wm2 h LEU 143 CO -0.09 0.18 0.00 0.11 0.09 0.00 0.00 178.44 178.73 2wm2 h LYS 144 N 0.58 0.00 -5.87 1.13 1.57 -1.05 -3.33 116.57 109.60 2wm2 h LYS 144 Ca 0.49 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.67 2wm2 h LYS 144 Cb 0.75 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.96 2wm2 h LYS 144 CO -0.40 0.00 0.48 0.34 -0.57 0.00 0.00 179.45 179.30 2wm2 s ASP 145 N -4.98 6.70 0.19 0.86 -1.08 -0.57 -4.92 116.67 112.86 2wm2 s ASP 145 Ca 0.04 0.69 0.16 0.00 -0.52 0.00 0.00 52.55 52.92 2wm2 s ASP 145 Cb 0.09 -2.43 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 2wm2 s ASP 145 CO 0.50 -0.68 1.48 -0.81 0.52 0.00 0.00 175.17 176.18 2wm2 n PRO 146 N 6.36 0.10 0.05 4.34 -0.04 -1.26 -1.20 135.00 143.34 2wm2 n PRO 146 Ca 0.05 0.51 0.04 0.00 -0.04 0.00 0.00 63.50 64.06 2wm2 n PRO 146 Cb 0.48 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 2wm2 n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wm2 n GLU 147 N -1.97 0.62 -0.23 0.54 -0.58 -1.26 -4.53 120.64 113.23 2wm2 n GLU 147 Ca 0.00 0.16 0.03 0.00 -0.42 0.00 0.00 57.16 56.93 2wm2 n GLU 147 Cb 0.08 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 29.21 2wm2 n GLU 147 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wm2 n ARG 148 N -2.78 0.76 -0.11 3.49 1.74 -0.75 -4.86 116.66 114.15 2wm2 n ARG 148 Ca -0.07 -1.47 -0.02 0.00 -0.77 0.00 0.00 57.85 55.52 2wm2 n ARG 148 Cb 0.74 -0.87 0.23 0.00 -1.02 0.00 0.00 32.46 31.54 2wm2 n ARG 148 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wm2 h TRP 149 N 0.00 0.79 -0.17 -1.55 5.08 -1.21 0.53 115.95 119.42 2wm2 h TRP 149 Ca 0.00 -0.06 -0.19 0.00 1.08 0.00 0.00 58.89 59.72 2wm2 h TRP 149 Cb 1.10 -0.23 0.01 0.00 -3.00 0.00 0.00 29.16 27.04 2wm2 h TRP 149 CO 0.04 0.65 -0.62 -0.09 -1.28 0.00 0.00 178.44 177.14 2wm2 h ARG 150 N 0.75 0.72 -0.95 0.12 2.43 -1.88 -1.01 114.38 114.56 2wm2 h ARG 150 Ca 0.17 -0.55 0.10 0.00 -0.81 0.00 0.00 59.98 58.90 2wm2 h ARG 150 Cb 0.25 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 2wm2 h ARG 150 CO -0.01 1.17 0.61 1.49 -1.51 0.00 0.00 179.97 181.72 2wm2 h GLU 151 N 0.42 0.92 0.11 0.20 4.81 -1.85 -1.71 114.58 117.48 2wm2 h GLU 151 Ca -0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2wm2 h GLU 151 Cb 1.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2wm2 h GLU 151 CO 0.13 0.61 -0.10 0.78 -0.73 0.00 0.00 179.01 179.71 2wm2 h GLY 152 N 0.95 -0.21 1.41 1.92 0.00 -0.16 -2.38 103.07 104.60 2wm2 h GLY 152 Ca 0.45 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 2wm2 h GLY 152 CO -0.21 -0.10 0.20 -0.91 0.00 0.00 0.00 176.54 175.52 2wm2 h THR 153 N -0.22 1.20 -0.20 4.70 1.35 -0.94 -2.53 112.91 116.26 2wm2 h THR 153 Ca -0.00 -0.63 -0.08 0.00 -0.55 0.00 0.00 66.41 65.15 2wm2 h THR 153 Cb 0.21 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2wm2 h THR 153 CO -0.02 0.24 -0.23 0.45 -0.25 0.00 0.00 175.52 175.72 2wm2 h HIS 154 N 0.75 0.40 -0.59 4.73 -0.00 -1.20 0.14 115.15 119.37 2wm2 h HIS 154 Ca 0.18 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 2wm2 h HIS 154 Cb 0.17 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 2wm2 h HIS 154 CO 0.01 0.57 0.04 0.78 -0.00 0.00 0.00 177.93 179.33 2wm2 h GLY 155 N 0.97 1.07 0.88 2.45 0.00 -1.03 -2.06 103.07 105.37 2wm2 h GLY 155 Ca 0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 2wm2 h GLY 155 CO 0.04 0.68 -0.12 1.41 0.00 0.00 0.00 176.54 178.55 2wm2 h LEU 156 N 0.93 0.58 -1.52 3.11 3.38 -1.04 -2.71 115.31 118.03 2wm2 h LEU 156 Ca 0.18 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2wm2 h LEU 156 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2wm2 h LEU 156 CO 0.02 0.85 0.39 -0.26 0.09 0.00 0.00 178.44 179.53 2wm2 h PHE 157 N 0.30 0.60 0.85 1.13 0.04 -0.85 0.32 116.94 119.33 2wm2 h PHE 157 Ca 0.06 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 2wm2 h PHE 157 Cb 0.62 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2wm2 h PHE 157 CO 0.06 0.33 -0.45 -0.44 -0.60 0.00 0.00 178.31 177.20 2wm2 h ASP 158 N 0.60 -1.11 -0.28 2.17 3.32 -1.23 -1.98 116.42 117.92 2wm2 h ASP 158 Ca 0.25 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.39 2wm2 h ASP 158 Cb 0.23 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2wm2 h ASP 158 CO -0.07 -0.74 0.03 0.58 -1.72 0.00 0.00 179.24 177.32 2wm2 h VAL 159 N -1.20 0.83 -0.81 -1.35 2.07 -1.06 -1.85 116.25 112.88 2wm2 h VAL 159 Ca -0.11 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2wm2 h VAL 159 Cb 0.94 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2wm2 h VAL 159 CO 0.16 0.02 0.50 -0.50 0.02 0.00 0.00 177.57 177.77 2wm2 h TRP 160 N 0.12 1.06 0.00 1.57 6.55 -0.40 -1.71 115.95 123.13 2wm2 h TRP 160 Ca 0.13 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.97 2wm2 h TRP 160 Cb 0.16 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 2wm2 h TRP 160 CO -0.19 0.70 0.00 -0.07 -1.05 0.00 0.00 178.44 177.83 2wm2 h LEU 161 N 1.10 0.00 -1.49 -4.49 3.38 -1.24 -1.26 115.31 111.32 2wm2 h LEU 161 Ca 0.29 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.73 2wm2 h LEU 161 Cb -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.56 2wm2 h LEU 161 CO -0.06 0.00 -0.86 -0.67 0.09 0.00 0.00 178.44 176.94 2wm2 n ASP 162 N -3.04 -1.88 -0.06 -0.43 2.03 -0.64 -1.70 116.55 110.83 2wm2 n ASP 162 Ca 0.03 -1.01 -0.01 0.00 0.52 0.00 0.00 54.79 54.33 2wm2 n ASP 162 Cb 0.47 -2.90 -0.00 0.00 -0.72 0.00 0.00 41.12 37.97 2wm2 n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wm2 n GLY 163 N -1.73 0.47 3.61 0.27 0.00 -1.26 -5.02 105.19 101.54 2wm2 n GLY 163 Ca -0.11 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2wm2 n GLY 163 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wm2 s HIS 164 N -2.01 2.94 -1.20 1.61 3.76 -0.69 -5.02 115.29 114.68 2wm2 s HIS 164 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 2wm2 s HIS 164 Cb 0.00 -1.65 0.21 0.00 1.11 0.00 0.00 32.58 32.25 2wm2 s HIS 164 CO 0.00 0.38 2.08 -3.47 -0.85 0.00 0.00 174.74 172.88 2wm2 n ASP 165 N 1.73 7.48 -4.57 1.40 2.03 -1.26 -4.94 116.55 118.43 2wm2 n ASP 165 Ca -0.16 -3.36 -0.42 0.00 0.52 0.00 0.00 54.79 51.37 2wm2 n ASP 165 Cb 0.53 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 2wm2 n ASP 165 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2wm2 s GLU 166 N -2.34 3.45 0.22 -0.67 2.56 -1.26 -4.93 118.70 115.74 2wm2 s GLU 166 Ca 0.46 0.11 -0.08 0.00 0.00 0.00 0.00 54.97 55.45 2wm2 s GLU 166 Cb 0.17 -4.04 0.33 0.00 2.00 0.00 0.00 34.13 32.60 2wm2 s GLU 166 CO -0.09 -1.69 1.71 -0.22 -0.56 0.00 0.00 175.26 174.41 2wm2 h LYS 167 N 9.54 0.29 -0.02 4.30 3.64 -2.00 -1.87 116.57 130.46 2wm2 h LYS 167 Ca -0.25 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 58.86 2wm2 h LYS 167 Cb 1.06 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2wm2 h LYS 167 CO 1.18 0.19 -0.98 0.00 -2.27 0.00 0.00 179.45 177.57 2wm2 h ARG 168 N 0.30 0.64 0.00 1.90 3.08 -1.99 -2.84 114.38 115.47 2wm2 h ARG 168 Ca 0.34 -0.66 -0.12 0.00 0.07 0.00 0.00 59.98 59.61 2wm2 h ARG 168 Cb 0.51 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2wm2 h ARG 168 CO -0.41 1.26 -0.56 0.28 -1.07 0.00 0.00 179.97 179.47 2wm2 h VAL 169 N 0.37 1.33 -0.37 2.04 2.07 -1.92 -2.61 116.25 117.17 2wm2 h VAL 169 Ca -0.11 -1.96 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 2wm2 h VAL 169 Cb 1.62 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 2wm2 h VAL 169 CO 0.19 0.55 -0.37 0.03 0.02 0.00 0.00 177.57 177.99 2wm2 h ARG 170 N 0.00 0.87 -0.85 1.57 3.08 -1.35 -2.32 114.38 115.38 2wm2 h ARG 170 Ca -0.01 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 2wm2 h ARG 170 Cb 1.03 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2wm2 h ARG 170 CO 0.07 1.08 0.46 1.25 -1.07 0.00 0.00 179.97 181.76 2wm2 h HIS 171 N 0.71 1.17 0.24 3.04 2.76 -1.35 0.84 115.15 122.57 2wm2 h HIS 171 Ca 0.06 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2wm2 h HIS 171 Cb 0.94 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2wm2 h HIS 171 CO 0.06 0.82 -0.12 1.25 -1.30 0.00 0.00 177.93 178.64 2wm2 h HIS 172 N 1.18 -0.30 -0.53 5.26 -0.00 -1.36 -0.60 115.15 118.80 2wm2 h HIS 172 Ca 0.30 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.57 2wm2 h HIS 172 Cb 0.04 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 2wm2 h HIS 172 CO 0.01 -0.11 -0.04 -0.07 -0.00 0.00 0.00 177.93 177.73 2wm2 h LEU 173 N -0.43 0.95 0.00 0.26 3.38 -1.19 0.27 115.31 118.55 2wm2 h LEU 173 Ca -0.03 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2wm2 h LEU 173 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2wm2 h LEU 173 CO 0.05 1.05 -1.53 0.18 0.09 0.00 0.00 178.44 178.28 2wm2 n LEU 174 N -4.24 0.46 -0.03 1.67 4.77 0.27 -4.04 117.00 115.85 2wm2 n LEU 174 Ca 0.01 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 2wm2 n LEU 174 Cb 0.35 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2wm2 n LEU 174 CO 0.44 -0.04 -0.70 1.21 -1.33 0.00 0.00 177.39 176.97 2wm2 n GLU 175 N -2.54 0.14 0.20 3.23 4.07 -0.28 -4.34 120.64 121.12 2wm2 n GLU 175 Ca -0.05 0.06 0.09 0.00 -0.06 0.00 0.00 57.16 57.21 2wm2 n GLU 175 Cb 0.63 -0.74 0.14 0.00 -0.06 0.00 0.00 31.44 31.41 2wm2 n GLU 175 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2wm2 h GLU 176 N -0.25 0.00 -0.16 5.31 5.08 -0.89 -2.99 114.58 120.68 2wm2 h GLU 176 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wm2 h GLU 176 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wm2 h GLU 176 CO -0.10 0.17 0.00 -1.33 -1.00 0.00 0.00 179.01 176.75 2wm2 n MET 177 N -3.15 2.35 -0.33 2.33 2.81 0.02 -4.66 117.12 116.50 2wm2 n MET 177 Ca 0.03 -2.05 -0.03 0.00 -1.81 0.00 0.00 57.70 53.84 2wm2 n MET 177 Cb 0.59 -1.47 0.09 0.00 -0.71 0.00 0.00 33.22 31.71 2wm2 n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wm2 h ALA 178 N 4.55 1.12 0.00 3.04 0.00 -1.69 -2.83 119.26 123.46 2wm2 h ALA 178 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wm2 h ALA 178 Cb 0.98 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wm2 h ALA 178 CO 0.00 0.55 0.00 -0.44 0.00 0.00 0.00 179.25 179.36 2wm2 h ASP 179 N 1.21 0.00 -3.11 0.00 3.32 -1.83 -3.44 116.42 112.57 2wm2 h ASP 179 Ca 0.32 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.80 2wm2 h ASP 179 Cb -0.10 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2wm2 h ASP 179 CO -0.06 0.00 0.89 -0.31 -1.72 0.00 0.00 179.24 178.04 2wm2 s TYR 180 N -3.29 2.95 0.00 4.55 1.51 -1.07 -4.82 117.35 117.18 2wm2 s TYR 180 Ca 0.06 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2wm2 s TYR 180 Cb 0.10 -3.64 0.00 0.00 -0.11 0.00 0.00 41.96 38.31 2wm2 s TYR 180 CO 0.46 -1.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 2wm2 n GLY 181 N 3.85 1.22 0.25 0.71 0.00 -1.26 -4.90 105.19 105.06 2wm2 n GLY 181 Ca 0.13 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.32 2wm2 n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wm2 h TYR 182 N -0.05 0.00 -0.73 1.61 3.20 -1.97 -2.70 116.97 116.33 2wm2 h TYR 182 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wm2 h TYR 182 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2wm2 h TYR 182 CO 0.00 0.16 0.47 0.22 -1.64 0.00 0.00 178.16 177.37 2wm2 h ASP 183 N 0.00 0.85 0.03 -2.11 3.58 -1.99 0.16 116.42 116.95 2wm2 h ASP 183 Ca -0.00 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2wm2 h ASP 183 Cb 0.56 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2wm2 h ASP 183 CO 0.02 0.63 -0.02 0.00 -2.88 0.00 0.00 179.24 177.00 2wm2 h TRP 185 N -0.99 1.02 -0.47 0.00 4.06 -1.43 0.22 115.95 118.36 2wm2 h TRP 185 Ca -0.00 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 2wm2 h TRP 185 Cb 0.38 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2wm2 h TRP 185 CO 0.10 0.79 0.22 0.78 -3.56 0.00 0.00 178.44 176.77 2wm2 h GLY 186 N 1.06 0.73 1.01 1.49 0.00 -0.79 -2.37 103.07 104.21 2wm2 h GLY 186 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2wm2 h GLY 186 CO -0.02 0.35 0.35 -0.09 0.00 0.00 0.00 176.54 177.13 2wm2 h ARG 187 N 0.62 1.00 -0.52 4.80 2.43 -1.19 -1.99 114.38 119.54 2wm2 h ARG 187 Ca 0.16 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2wm2 h ARG 187 Cb 0.13 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2wm2 h ARG 187 CO -0.02 0.78 0.20 0.66 -1.51 0.00 0.00 179.97 180.08 2wm2 h SER 188 N 0.97 0.71 -0.61 -3.80 4.64 -0.56 -0.86 113.55 114.04 2wm2 h SER 188 Ca 0.24 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2wm2 h SER 188 Cb 0.10 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 2wm2 h SER 188 CO -0.03 0.69 0.38 1.23 -0.87 0.00 0.00 176.83 178.23 2wm2 h GLY 189 N 0.69 0.88 0.81 -0.77 0.00 -1.23 -0.48 103.07 102.98 2wm2 h GLY 189 Ca 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2wm2 h GLY 189 CO -0.01 0.24 -0.03 3.21 0.00 0.00 0.00 176.54 179.95 2wm2 h ARG 190 N 0.75 0.39 -0.08 4.80 3.08 -1.16 -2.50 114.38 119.65 2wm2 h ARG 190 Ca 0.25 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2wm2 h ARG 190 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2wm2 h ARG 190 CO -0.10 0.62 -0.04 0.28 -1.07 0.00 0.00 179.97 179.66 2wm2 h VAL 191 N 0.12 1.32 -0.40 2.04 2.07 -1.08 -1.80 116.25 118.52 2wm2 h VAL 191 Ca 0.05 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2wm2 h VAL 191 Cb 0.46 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2wm2 h VAL 191 CO 0.02 0.29 0.22 0.40 0.02 0.00 0.00 177.57 178.52 2wm2 h ILE 192 N -0.20 1.02 -0.54 4.57 2.04 -1.16 0.34 117.51 123.57 2wm2 h ILE 192 Ca 0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2wm2 h ILE 192 Cb 0.48 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2wm2 h ILE 192 CO 0.01 0.08 0.24 -0.08 0.00 0.00 0.00 178.15 178.40 2wm2 h GLU 193 N 0.45 0.80 -0.26 2.37 4.81 -1.45 -1.67 114.58 119.64 2wm2 h GLU 193 Ca 0.16 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2wm2 h GLU 193 Cb 0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2wm2 h GLU 193 CO -0.09 0.68 -0.05 0.22 -0.73 0.00 0.00 179.01 179.04 2wm2 h ASP 194 N 0.73 0.37 -0.23 1.04 3.58 -0.99 -2.10 116.42 118.83 2wm2 h ASP 194 Ca 0.18 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 2wm2 h ASP 194 Cb 0.17 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2wm2 h ASP 194 CO -0.02 0.47 0.03 0.00 -2.88 0.00 0.00 179.24 176.84 2wm2 h ALA 195 N 1.57 0.31 0.17 -0.78 0.00 0.46 -2.01 119.26 118.99 2wm2 h ALA 195 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wm2 h ALA 195 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wm2 h ALA 195 CO 0.01 0.00 -0.08 1.88 0.00 0.00 0.00 179.25 181.07 2wm2 h TYR 196 N 0.19 -0.22 -0.65 0.00 -1.99 -1.26 -2.00 116.97 111.05 2wm2 h TYR 196 Ca 0.07 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.88 2wm2 h TYR 196 Cb 0.35 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 2wm2 h TYR 196 CO 0.02 0.01 0.43 0.78 -0.00 0.00 0.00 178.16 179.40 2wm2 h GLY 197 N -0.41 0.72 0.31 3.88 0.00 -1.37 1.18 103.07 107.38 2wm2 h GLY 197 Ca -0.02 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 2wm2 h GLY 197 CO 0.04 0.13 -1.94 -0.96 0.00 0.00 0.00 176.54 173.81 2wm2 n ARG 198 N -4.48 0.66 -0.04 4.80 1.85 -0.76 -4.23 116.66 114.46 2wm2 n ARG 198 Ca 0.10 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.02 2wm2 n ARG 198 Cb 0.33 -1.61 0.08 0.00 -1.05 0.00 0.00 32.46 30.21 2wm2 n ARG 198 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wm2 n ASN 199 N -2.63 2.23 0.00 2.89 5.03 -0.75 -5.02 115.26 117.00 2wm2 n ASN 199 Ca -0.16 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.68 2wm2 n ASN 199 Cb 0.86 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 2wm2 n ASN 199 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wm2 n GLY 200 N 0.68 1.34 3.68 7.41 0.00 0.41 -3.94 105.19 114.78 2wm2 n GLY 200 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2wm2 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wm2 s SER 201 N 0.00 -0.27 0.22 1.61 1.04 -1.25 -4.57 113.70 110.47 2wm2 s SER 201 Ca 0.00 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 2wm2 s SER 201 Cb 0.00 0.51 0.28 0.00 0.10 0.00 0.00 66.02 66.91 2wm2 s SER 201 CO 0.00 -0.90 1.79 -0.65 0.98 0.00 0.00 173.24 174.45 2wm2 h PRO 202 N 2.00 0.60 -0.44 4.02 0.11 -1.84 -0.41 132.00 136.04 2wm2 h PRO 202 Ca -0.24 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.86 2wm2 h PRO 202 Cb 1.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2wm2 h PRO 202 CO 0.28 0.40 0.25 0.52 -0.21 0.00 0.00 178.00 179.23 2wm2 h MET 203 N 0.62 0.49 -0.57 1.05 2.86 -1.94 0.55 114.93 117.99 2wm2 h MET 203 Ca 0.32 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 2wm2 h MET 203 Cb 0.28 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2wm2 h MET 203 CO -0.23 0.32 0.15 1.96 1.06 0.00 0.00 176.91 180.17 2wm2 h GLN 204 N 0.50 0.90 -0.21 1.72 1.08 -1.75 -1.27 115.11 116.08 2wm2 h GLN 204 Ca 0.18 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2wm2 h GLN 204 Cb 0.03 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2wm2 h GLN 204 CO -0.09 0.83 0.12 1.98 -0.95 0.00 0.00 178.83 180.72 2wm2 h MET 205 N 0.81 0.30 -0.49 1.46 4.05 -0.65 -0.87 114.93 119.54 2wm2 h MET 205 Ca 0.18 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2wm2 h MET 205 Cb 0.33 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2wm2 h MET 205 CO -0.00 0.28 0.00 0.52 0.23 0.00 0.00 176.91 177.94 2wm2 h MET 206 N 0.24 0.81 0.00 0.39 2.86 -0.81 -2.30 114.93 116.12 2wm2 h MET 206 Ca 0.08 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2wm2 h MET 206 Cb 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2wm2 h MET 206 CO -0.01 0.82 -0.23 0.00 1.06 0.00 0.00 176.91 178.54 2wm2 h ALA 207 N 1.24 0.99 -0.19 6.32 0.00 -1.00 -3.09 119.26 123.54 2wm2 h ALA 207 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wm2 h ALA 207 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wm2 h ALA 207 CO 0.02 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.65 2wm2 n ASN 208 N -3.35 1.50 -4.76 0.00 3.02 -0.35 -4.92 115.26 106.40 2wm2 n ASN 208 Ca 0.00 -1.75 -0.41 0.00 -0.03 0.00 0.00 54.58 52.39 2wm2 n ASN 208 Cb 0.45 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 2wm2 n ASN 208 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wm2 s LEU 209 N -1.43 4.34 0.14 3.41 1.43 -1.16 -4.91 118.68 120.50 2wm2 s LEU 209 Ca 0.29 2.98 -0.24 0.00 -1.03 0.00 0.00 54.13 56.13 2wm2 s LEU 209 Cb 0.15 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 2wm2 s LEU 209 CO 0.23 -0.91 1.63 0.74 0.23 0.00 0.00 176.35 178.27 2wm2 h THR 210 N 3.29 0.37 -3.46 5.49 2.02 -1.93 -3.34 112.91 115.35 2wm2 h THR 210 Ca -0.48 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.00 2wm2 h THR 210 Cb 1.22 0.37 -0.34 0.00 -1.74 0.00 0.00 68.15 67.67 2wm2 h THR 210 CO 0.76 0.00 -0.50 -0.54 0.37 0.00 0.00 175.52 175.61 2wm2 s LYS 211 N -6.06 2.14 0.67 6.66 -0.14 -1.26 -5.10 119.74 116.66 2wm2 s LYS 211 Ca -0.15 -1.90 -0.15 0.00 -1.36 0.00 0.00 55.97 52.42 2wm2 s LYS 211 Cb 0.11 -3.66 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 2wm2 s LYS 211 CO 0.67 -1.10 1.11 0.95 -0.76 0.00 0.00 175.35 176.21 2wm2 s THR 212 N 1.03 3.28 0.12 2.17 -4.23 -1.26 -4.90 115.64 111.86 2wm2 s THR 212 Ca 0.09 0.58 -0.26 0.00 -1.18 0.00 0.00 61.69 60.92 2wm2 s THR 212 Cb -0.23 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.58 2wm2 s THR 212 CO -0.04 -0.39 0.92 0.00 -0.54 0.00 0.00 174.62 174.57 2wm2 s ARG 213 N -4.18 1.14 -0.13 3.99 1.70 -1.26 -5.09 118.95 115.13 2wm2 s ARG 213 Ca 0.66 -0.59 -0.35 0.00 -0.47 0.00 0.00 55.73 54.99 2wm2 s ARG 213 Cb -0.20 0.42 -0.12 0.00 -0.57 0.00 0.00 34.95 34.48 2wm2 s ARG 213 CO 0.43 -0.52 1.89 -2.30 -1.08 0.00 0.00 175.30 173.72 2wm2 n PRO 214 N -0.42 2.03 -4.69 3.89 -0.02 -1.26 -4.77 135.00 129.77 2wm2 n PRO 214 Ca -0.07 0.74 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2wm2 n PRO 214 Cb 0.61 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 2wm2 n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wm2 s ILE 215 N 4.27 1.19 -0.06 4.25 1.01 -0.66 -2.21 121.20 128.99 2wm2 s ILE 215 Ca 0.94 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.03 2wm2 s ILE 215 Cb -0.73 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2wm2 s ILE 215 CO 0.53 0.34 -0.22 -0.60 0.00 0.00 0.00 174.94 174.99 2wm2 s ARG 216 N -0.13 2.33 -0.42 2.79 3.52 -0.84 -1.54 118.95 124.66 2wm2 s ARG 216 Ca 0.01 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.69 2wm2 s ARG 216 Cb -0.08 -1.96 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 2wm2 s ARG 216 CO 0.00 0.32 0.28 -1.58 -0.81 0.00 0.00 175.30 173.51 2wm2 s HIS 217 N -0.05 3.26 -0.22 5.12 5.65 0.73 -1.56 115.29 128.22 2wm2 s HIS 217 Ca -0.05 -1.02 -0.07 0.00 0.25 0.00 0.00 55.06 54.16 2wm2 s HIS 217 Cb -0.13 -2.76 -0.03 0.00 -1.18 0.00 0.00 32.58 28.47 2wm2 s HIS 217 CO 0.04 -0.72 0.07 0.96 -0.65 0.00 0.00 174.74 174.43 2wm2 s ILE 218 N 1.57 4.54 0.08 0.89 -4.36 -0.71 -1.29 121.20 121.92 2wm2 s ILE 218 Ca 0.03 -0.11 -0.10 0.00 -0.26 0.00 0.00 60.65 60.22 2wm2 s ILE 218 Cb -0.21 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.41 2wm2 s ILE 218 CO 0.06 0.39 0.22 0.72 0.24 0.00 0.00 174.94 176.57 2wm2 s PHE 219 N 1.06 0.08 -0.01 1.37 -0.71 -0.61 -0.96 117.98 118.19 2wm2 s PHE 219 Ca 0.04 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.57 2wm2 s PHE 219 Cb -0.14 -0.01 -0.12 0.00 -1.21 0.00 0.00 43.02 41.54 2wm2 s PHE 219 CO 0.03 -0.54 0.16 0.43 -1.34 0.00 0.00 175.22 173.96 2wm2 n SER 220 N 0.09 3.27 -3.83 1.98 7.64 -1.26 -0.70 113.62 120.80 2wm2 n SER 220 Ca -0.16 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.63 2wm2 n SER 220 Cb 0.62 1.32 -0.07 0.00 -1.01 0.00 0.00 64.21 65.08 2wm2 n SER 220 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wm2 s GLN 221 N -2.51 0.96 0.58 1.43 -2.07 -1.26 -4.43 119.66 112.36 2wm2 s GLN 221 Ca -0.03 -0.95 -0.20 0.00 -1.82 0.00 0.00 55.36 52.37 2wm2 s GLN 221 Cb 0.05 0.38 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 2wm2 s GLN 221 CO 0.31 -0.34 1.06 -2.30 -1.32 0.00 0.00 175.29 172.71 2wm2 n PRO 222 N -0.13 1.10 -0.06 9.60 -0.02 -1.26 -4.76 135.00 139.46 2wm2 n PRO 222 Ca -0.14 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2wm2 n PRO 222 Cb 0.63 -2.25 0.37 0.00 -0.02 0.00 0.00 33.50 32.23 2wm2 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wm2 n THR 223 N -1.49 0.17 -2.92 3.45 -2.24 -1.26 -4.83 114.28 105.15 2wm2 n THR 223 Ca 0.13 -0.38 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 2wm2 n THR 223 Cb 0.46 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 2wm2 n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wm2 s GLU 224 N -1.83 4.18 0.52 -0.78 8.01 -1.26 -4.97 118.70 122.57 2wm2 s GLU 224 Ca 0.34 0.99 0.22 0.00 0.01 0.00 0.00 54.97 56.53 2wm2 s GLU 224 Cb 0.19 -2.29 1.34 0.00 -4.31 0.00 0.00 34.13 29.06 2wm2 s GLU 224 CO 0.29 0.05 2.04 -1.35 0.01 0.00 0.00 175.26 176.30 2wm2 h PRO 225 N 2.10 0.02 -0.29 0.39 0.11 -2.01 -2.56 132.00 129.76 2wm2 h PRO 225 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2wm2 h PRO 225 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2wm2 h PRO 225 CO 0.63 0.02 -0.04 0.93 -0.21 0.00 0.00 178.00 179.33 2wm2 h GLU 226 N 0.03 0.45 0.20 1.05 3.07 -1.98 -2.83 114.58 114.56 2wm2 h GLU 226 Ca 0.19 -0.10 -0.32 0.00 -0.50 0.00 0.00 59.36 58.63 2wm2 h GLU 226 Cb 0.71 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 28.58 2wm2 h GLU 226 CO -0.01 0.51 -1.42 -0.92 -1.40 0.00 0.00 179.01 175.77 2wm2 h TYR 227 N 0.43 0.78 -0.94 4.33 3.20 -1.81 -3.06 116.97 119.90 2wm2 h TYR 227 Ca 0.09 -0.57 0.10 0.00 3.14 0.00 0.00 58.73 61.49 2wm2 h TYR 227 Cb 0.34 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 2wm2 h TYR 227 CO 0.01 1.46 0.60 1.49 -1.64 0.00 0.00 178.16 180.09 2wm2 h GLU 228 N 0.12 0.92 -0.27 1.82 4.81 -1.51 -2.92 114.58 117.54 2wm2 h GLU 228 Ca -0.22 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2wm2 h GLU 228 Cb 2.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 2wm2 h GLU 228 CO 0.24 0.61 0.11 -0.22 -0.73 0.00 0.00 179.01 179.03 2wm2 h LYS 229 N 0.95 0.41 -0.48 1.92 3.64 -1.40 0.27 116.57 121.87 2wm2 h LYS 229 Ca 0.44 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2wm2 h LYS 229 Cb 0.41 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2wm2 h LYS 229 CO -0.20 0.43 0.25 -0.84 -2.27 0.00 0.00 179.45 176.81 2wm2 h ILE 230 N 0.29 1.16 -0.06 2.00 3.07 -1.50 0.29 117.51 122.76 2wm2 h ILE 230 Ca 0.09 -0.43 -0.01 0.00 1.55 0.00 0.00 64.86 66.07 2wm2 h ILE 230 Cb 0.17 0.53 -0.00 0.00 -0.27 0.00 0.00 36.82 37.24 2wm2 h ILE 230 CO -0.01 0.18 0.02 0.78 -1.05 0.00 0.00 178.15 178.07 2wm2 h ASN 231 N 0.67 0.10 0.50 2.16 2.35 -1.16 -1.02 115.58 119.18 2wm2 h ASN 231 Ca 0.17 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 2wm2 h ASN 231 Cb 0.05 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2wm2 h ASN 231 CO -0.03 0.29 -0.52 0.77 -1.65 0.00 0.00 177.43 176.29 2wm2 h SER 232 N -0.11 0.03 -0.33 5.81 4.64 -0.03 -0.97 113.55 122.60 2wm2 h SER 232 Ca 0.02 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 2wm2 h SER 232 Cb 0.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2wm2 h SER 232 CO -0.00 0.54 -0.26 0.44 -0.87 0.00 0.00 176.83 176.68 2wm2 h ASP 233 N 0.02 0.80 -0.24 4.97 3.32 -0.39 0.45 116.42 125.34 2wm2 h ASP 233 Ca -0.00 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 2wm2 h ASP 233 Cb 0.93 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2wm2 h ASP 233 CO 0.07 1.08 -0.08 0.15 -1.72 0.00 0.00 179.24 178.74 2wm2 h PHE 234 N 0.52 0.66 -0.17 4.55 3.04 -1.11 -2.38 116.94 122.06 2wm2 h PHE 234 Ca 0.06 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2wm2 h PHE 234 Cb 0.83 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 2wm2 h PHE 234 CO 0.07 0.68 0.02 0.00 -2.02 0.00 0.00 178.31 177.05 2wm2 h ALA 235 N 1.35 0.22 -0.43 2.41 0.00 -1.01 -1.43 119.26 120.37 2wm2 h ALA 235 Ca 0.11 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2wm2 h ALA 235 Cb 0.48 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2wm2 h ALA 235 CO 0.03 -0.10 -0.09 0.93 0.00 0.00 0.00 179.25 180.01 2wm2 h GLU 236 N 0.06 0.01 -0.01 0.00 5.08 -0.76 -2.87 114.58 116.10 2wm2 h GLU 236 Ca 0.05 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2wm2 h GLU 236 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2wm2 h GLU 236 CO 0.00 0.01 -0.62 0.37 -1.00 0.00 0.00 179.01 177.78 2wm2 h GLN 237 N 0.01 0.02 -4.66 2.33 4.15 -1.34 -3.42 115.11 112.21 2wm2 h GLN 237 Ca 0.21 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.96 2wm2 h GLN 237 Cb 0.32 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 27.63 2wm2 h GLN 237 CO -0.43 0.63 -0.78 -1.01 -1.93 0.00 0.00 178.83 175.30 2wm2 s HIS 238 N -3.63 3.03 0.37 3.99 3.76 -0.55 -5.01 115.29 117.26 2wm2 s HIS 238 Ca -0.02 -2.23 0.14 0.00 -0.15 0.00 0.00 55.06 52.80 2wm2 s HIS 238 Cb 0.13 -1.95 0.97 0.00 1.11 0.00 0.00 32.58 32.83 2wm2 s HIS 238 CO 0.77 -0.86 1.80 -1.35 -0.85 0.00 0.00 174.74 174.25 2wm2 h PRO 239 N 7.81 0.52 0.00 8.40 0.11 -1.83 -1.77 132.00 145.24 2wm2 h PRO 239 Ca -0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2wm2 h PRO 239 Cb 1.05 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wm2 h PRO 239 CO 0.45 0.34 0.00 0.11 -0.21 0.00 0.00 178.00 178.70 2wm2 h TRP 240 N 0.53 0.00 -3.26 0.65 5.08 -1.91 -3.45 115.95 113.60 2wm2 h TRP 240 Ca 0.55 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.94 2wm2 h TRP 240 Cb 1.17 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.28 2wm2 h TRP 240 CO -0.00 0.00 -0.06 0.12 -1.28 0.00 0.00 178.44 177.22 2wm2 s PHE 241 N -3.28 3.68 0.18 0.12 5.36 -0.67 -1.66 117.98 121.72 2wm2 s PHE 241 Ca 0.07 1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 57.16 2wm2 s PHE 241 Cb 0.08 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 2wm2 s PHE 241 CO 0.59 0.39 0.12 -1.54 -1.46 0.00 0.00 175.22 173.32 2wm2 s SER 242 N -0.31 0.18 0.09 6.13 1.04 -0.59 -4.72 113.70 115.53 2wm2 s SER 242 Ca 0.29 -1.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.25 2wm2 s SER 242 Cb -0.18 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2wm2 s SER 242 CO 0.16 -0.82 0.35 -0.72 0.98 0.00 0.00 173.24 173.19 2wm2 s TYR 243 N -4.13 -0.14 -0.04 5.02 1.13 -1.26 -0.19 117.35 117.75 2wm2 s TYR 243 Ca 0.35 -0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.88 2wm2 s TYR 243 Cb 0.07 0.17 0.03 0.00 -1.10 0.00 0.00 41.96 41.12 2wm2 s TYR 243 CO 0.09 -0.62 0.01 0.00 -2.51 0.00 0.00 175.55 172.53 2wm2 s ALA 244 N -3.36 0.38 -0.35 9.51 0.00 -0.41 -4.91 121.76 122.63 2wm2 s ALA 244 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.80 2wm2 s ALA 244 Cb 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2wm2 s ALA 244 CO -0.09 -0.25 0.97 0.21 0.00 0.00 0.00 175.76 176.60 2wm2 s LYS 245 N 1.49 3.93 0.00 0.00 2.20 -1.26 -1.57 119.74 124.52 2wm2 s LYS 245 Ca -0.03 0.74 0.25 0.00 -0.36 0.00 0.00 55.97 56.57 2wm2 s LYS 245 Cb -0.13 -3.78 0.42 0.00 -1.51 0.00 0.00 37.83 32.84 2wm2 s LYS 245 CO -0.03 -0.92 1.36 1.28 -0.36 0.00 0.00 175.35 176.68 2wm2 n LEU 246 N 6.79 0.71 -1.73 5.43 4.77 0.12 -4.97 117.00 128.12 2wm2 n LEU 246 Ca 0.09 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.73 2wm2 n LEU 246 Cb 0.48 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2wm2 n LEU 246 CO 0.58 0.16 -0.20 0.61 -1.33 0.00 0.00 177.39 177.22 2wm2 n GLY 247 N 1.47 1.35 3.89 -0.72 0.00 -1.26 -4.98 105.19 104.94 2wm2 n GLY 247 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2wm2 n GLY 247 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wm2 s GLY 248 N -2.51 1.62 0.14 -0.02 0.00 -1.26 -5.00 107.32 100.28 2wm2 s GLY 248 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.24 2wm2 s GLY 248 CO 0.00 -0.03 1.62 -0.56 0.00 0.00 0.00 173.10 174.12 2wm2 h PRO 249 N -0.40 0.75 0.00 2.90 0.13 -1.92 -3.45 132.00 130.01 2wm2 h PRO 249 Ca -0.45 -0.21 -0.63 0.00 -0.87 0.00 0.00 66.00 63.85 2wm2 h PRO 249 Cb 1.23 -0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2wm2 h PRO 249 CO 0.63 0.78 -0.41 0.25 -0.23 0.00 0.00 178.00 179.01 2wm2 n THR 250 N -4.45 0.00 0.57 1.56 -2.24 -1.26 -4.69 114.28 103.77 2wm2 n THR 250 Ca 0.00 -2.30 0.06 0.00 -2.27 0.00 0.00 64.05 59.54 2wm2 n THR 250 Cb 0.25 0.33 0.29 0.00 -2.10 0.00 0.00 70.33 69.10 2wm2 n THR 250 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2wm2 n HIS 251 N -1.40 0.00 -3.61 4.78 -0.00 -0.47 -4.38 115.22 110.14 2wm2 n HIS 251 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.29 2wm2 n HIS 251 Cb 0.63 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 30.30 2wm2 n HIS 251 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2wm2 n PHE 252 N -1.22 3.09 0.27 1.57 3.01 -1.26 -4.86 117.46 118.07 2wm2 n PHE 252 Ca 0.06 -4.16 0.11 0.00 1.01 0.00 0.00 57.45 54.47 2wm2 n PHE 252 Cb 0.08 -0.54 0.75 0.00 -0.01 0.00 0.00 39.48 39.76 2wm2 n PHE 252 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wm2 h PRO 253 N 4.74 0.00 -0.20 -1.08 0.13 -1.93 -1.13 132.00 132.52 2wm2 h PRO 253 Ca 0.18 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.36 2wm2 h PRO 253 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2wm2 h PRO 253 CO 0.75 0.02 0.15 0.00 -0.23 0.00 0.00 178.00 178.70 2wm2 h ALA 254 N 1.98 2.14 0.00 -0.56 0.00 -1.89 -2.31 119.26 118.63 2wm2 h ALA 254 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2wm2 h ALA 254 Cb 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wm2 h ALA 254 CO 0.00 -0.26 -1.29 -0.89 0.00 0.00 0.00 179.25 176.81 2wm2 n ILE 255 N -4.39 1.49 0.36 0.00 5.41 -0.49 -3.73 119.36 118.00 2wm2 n ILE 255 Ca 0.02 -0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.88 2wm2 n ILE 255 Cb 0.29 -2.16 0.02 0.00 -0.71 0.00 0.00 39.64 37.08 2wm2 n ILE 255 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2wm2 n ASP 256 N -4.45 0.63 -3.13 4.38 5.68 -0.81 -4.16 116.55 114.70 2wm2 n ASP 256 Ca -0.27 0.04 -0.20 0.00 -0.50 0.00 0.00 54.79 53.86 2wm2 n ASP 256 Cb 0.58 0.72 -0.03 0.00 -1.14 0.00 0.00 41.12 41.25 2wm2 n ASP 256 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2wm2 n VAL 257 N -2.25 0.51 -0.18 2.12 0.24 -0.88 -4.95 118.33 112.95 2wm2 n VAL 257 Ca 0.01 -4.76 -0.10 0.00 -2.04 0.00 0.00 64.34 57.45 2wm2 n VAL 257 Cb 0.49 -0.47 0.01 0.00 -1.47 0.00 0.00 33.84 32.39 2wm2 n VAL 257 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2wm2 h PRO 258 N 2.99 0.97 -0.96 7.34 0.13 -1.70 -2.33 132.00 138.45 2wm2 h PRO 258 Ca 0.10 -0.34 0.17 0.00 -0.87 0.00 0.00 66.00 65.06 2wm2 h PRO 258 Cb 0.88 -0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.84 2wm2 h PRO 258 CO 0.57 1.00 0.57 0.38 -0.23 0.00 0.00 178.00 180.28 2wm2 h ASP 259 N 0.84 0.74 -0.07 1.44 2.03 -1.91 -0.45 116.42 119.04 2wm2 h ASP 259 Ca 0.14 0.09 -0.21 0.00 -0.73 0.00 0.00 57.03 56.32 2wm2 h ASP 259 Cb 0.60 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 39.06 2wm2 h ASP 259 CO 0.04 0.30 -0.74 0.03 -1.03 0.00 0.00 179.24 177.83 2wm2 h ARG 260 N 0.76 0.71 -0.59 4.15 2.47 -1.84 -2.52 114.38 117.53 2wm2 h ARG 260 Ca 0.53 -0.56 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2wm2 h ARG 260 Cb 0.77 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 2wm2 h ARG 260 CO -0.36 1.18 0.29 0.00 0.56 0.00 0.00 179.97 181.64 2wm2 h ALA 261 N 0.66 0.76 -0.40 0.04 0.00 -0.89 -2.83 119.26 116.61 2wm2 h ALA 261 Ca -0.04 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2wm2 h ALA 261 Cb 1.36 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2wm2 h ALA 261 CO 0.15 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.77 2wm2 h ALA 262 N 1.12 0.42 -0.97 0.00 0.00 -1.08 -2.29 119.26 116.46 2wm2 h ALA 262 Ca 0.20 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.34 2wm2 h ALA 262 Cb 0.10 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2wm2 h ALA 262 CO -0.03 -0.34 0.61 0.28 0.00 0.00 0.00 179.25 179.78 2wm2 h VAL 263 N 0.19 0.86 0.00 0.00 2.07 -1.19 0.33 116.25 118.50 2wm2 h VAL 263 Ca 0.19 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 2wm2 h VAL 263 Cb 0.24 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2wm2 h VAL 263 CO -0.27 0.16 -0.64 0.45 0.02 0.00 0.00 177.57 177.28 2wm2 h HIS 264 N 0.86 0.00 -0.00 1.57 3.86 -1.43 -2.58 115.15 117.43 2wm2 h HIS 264 Ca 0.50 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.70 2wm2 h HIS 264 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2wm2 h HIS 264 CO -0.00 0.58 -0.01 0.82 0.86 0.00 0.00 177.93 180.18 2wm2 h ILE 265 N 0.00 1.48 -0.86 2.45 2.04 -0.49 -2.96 117.51 119.17 2wm2 h ILE 265 Ca -0.02 -1.41 0.12 0.00 1.00 0.00 0.00 64.86 64.56 2wm2 h ILE 265 Cb 1.46 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 39.88 2wm2 h ILE 265 CO 0.07 0.37 0.47 0.03 0.00 0.00 0.00 178.15 179.09 2wm2 h ARG 266 N -0.58 0.71 -0.39 2.37 3.08 -0.50 0.21 114.38 119.28 2wm2 h ARG 266 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wm2 h ARG 266 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2wm2 h ARG 266 CO 0.00 0.47 0.22 1.49 -1.07 0.00 0.00 179.97 181.08 2wm2 h GLU 267 N 0.73 0.43 -0.31 0.04 4.81 -1.50 0.11 114.58 118.89 2wm2 h GLU 267 Ca 0.44 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 2wm2 h GLU 267 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2wm2 h GLU 267 CO -0.31 0.28 -0.12 0.74 -0.73 0.00 0.00 179.01 178.88 2wm2 h PHE 268 N 0.44 0.71 -0.78 0.92 -1.00 -1.18 -1.36 116.94 114.70 2wm2 h PHE 268 Ca 0.16 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 60.84 2wm2 h PHE 268 Cb 0.03 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 39.36 2wm2 h PHE 268 CO -0.08 0.83 0.46 0.00 -1.61 0.00 0.00 178.31 177.91 2wm2 h ALA 269 N 0.77 1.08 -0.04 2.45 0.00 -0.32 -1.26 119.26 121.94 2wm2 h ALA 269 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2wm2 h ALA 269 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wm2 h ALA 269 CO 0.04 0.15 -0.51 1.15 0.00 0.00 0.00 179.25 180.08 2wm2 h THR 270 N 0.82 1.36 -0.36 0.00 2.02 -0.71 -1.80 112.91 114.24 2wm2 h THR 270 Ca 0.35 -1.75 -0.14 0.00 0.77 0.00 0.00 66.41 65.64 2wm2 h THR 270 Cb 0.23 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2wm2 h THR 270 CO -0.20 0.51 -0.35 0.00 0.37 0.00 0.00 175.52 175.85 2wm2 h ALA 271 N 1.39 0.71 -0.62 6.16 0.00 -0.63 -2.99 119.26 123.27 2wm2 h ALA 271 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2wm2 h ALA 271 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2wm2 h ALA 271 CO 0.07 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.85 2wm2 h ILE 272 N 0.68 1.26 0.00 0.00 2.04 -1.11 -2.98 117.51 117.41 2wm2 h ILE 272 Ca 0.07 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2wm2 h ILE 272 Cb 0.91 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2wm2 h ILE 272 CO 0.08 0.41 0.00 0.54 0.00 0.00 0.00 178.15 179.18 2wm2 n ARG 273 N -4.21 0.26 0.00 2.37 1.74 -0.69 -5.05 116.66 111.09 2wm2 n ARG 273 Ca 0.03 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2wm2 n ARG 273 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2wm2 n ARG 273 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15