#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wm2 n ASP 3 N 0.00 0.43 -0.03 3.42 9.92 -1.26 -2.51 116.55 126.52 2wm2 n ASP 3 Ca 0.00 -1.10 -0.16 0.00 -0.53 0.00 0.00 54.79 53.01 2wm2 n ASP 3 Cb 0.00 -0.21 -0.09 0.00 -0.64 0.00 0.00 41.12 40.18 2wm2 n ASP 3 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2wm2 h THR 4 N 0.00 1.39 -0.00 -3.53 2.02 -2.03 -3.35 112.91 107.41 2wm2 h THR 4 Ca 0.00 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2wm2 h THR 4 Cb 0.21 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2wm2 h THR 4 CO 0.00 0.53 -0.06 -1.22 0.37 0.00 0.00 175.52 175.14 2wm2 n TYR 5 N -4.30 0.00 -2.40 3.16 0.53 -1.04 -4.80 117.16 108.30 2wm2 n TYR 5 Ca -0.08 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.37 2wm2 n TYR 5 Cb 0.56 -0.15 -0.02 0.00 -1.03 0.00 0.00 39.34 38.70 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 -2.37 4.14 0.31 7.72 2.96 -1.26 -2.18 118.68 128.01 2wm2 s LEU 6 Ca 0.33 1.65 0.09 0.00 -0.22 0.00 0.00 54.13 55.98 2wm2 s LEU 6 Cb 0.21 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 2wm2 s LEU 6 CO 0.44 -0.82 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.55 2wm2 s HIS 7 N 3.68 2.25 -0.00 5.38 3.76 -0.24 -4.98 115.29 125.14 2wm2 s HIS 7 Ca 0.56 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 2wm2 s HIS 7 Cb -0.21 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.22 2wm2 s HIS 7 CO 0.17 0.52 -0.12 -2.00 -0.85 0.00 0.00 174.74 172.45 2wm2 s GLU 8 N -3.63 0.96 0.12 1.40 2.12 -1.26 -1.27 118.70 117.14 2wm2 s GLU 8 Ca 0.31 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 2wm2 s GLU 8 Cb 0.02 -0.93 0.01 0.00 0.26 0.00 0.00 34.13 33.49 2wm2 s GLU 8 CO 0.15 0.25 0.32 -0.08 -0.54 0.00 0.00 175.26 175.36 2wm2 s THR 9 N -0.35 0.09 -0.17 -1.70 -1.32 -0.78 -5.01 115.64 106.42 2wm2 s THR 9 Ca 0.04 -0.93 -0.19 0.00 -1.21 0.00 0.00 61.69 59.40 2wm2 s THR 9 Cb -0.05 -1.36 -0.03 0.00 -1.51 0.00 0.00 72.50 69.54 2wm2 s THR 9 CO -0.00 -0.42 0.55 -0.22 -2.21 0.00 0.00 174.62 172.32 2wm2 s LEU 10 N -2.85 4.19 -0.27 9.08 2.96 -1.26 -1.19 118.68 129.34 2wm2 s LEU 10 Ca 0.06 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 2wm2 s LEU 10 Cb 0.03 -2.78 0.07 0.00 0.50 0.00 0.00 46.19 44.01 2wm2 s LEU 10 CO -0.09 -0.15 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.07 2wm2 s VAL 11 N 1.37 1.82 0.00 1.68 1.01 0.14 -4.97 120.40 121.44 2wm2 s VAL 11 Ca 0.27 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2wm2 s VAL 11 Cb -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2wm2 s VAL 11 CO 0.11 -0.26 0.00 0.49 0.00 0.00 0.00 175.10 175.44 2wm2 n PHE 12 N 4.52 0.00 -0.03 5.22 3.72 -1.26 -1.27 117.46 128.36 2wm2 n PHE 12 Ca -0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 2wm2 n PHE 12 Cb 0.43 0.00 -0.10 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 0.17 -3.33 4.37 3.32 -2.02 -3.48 116.42 115.45 2wm2 h ASP 13 Ca 0.00 -0.61 -0.56 0.00 0.02 0.00 0.00 57.03 55.88 2wm2 h ASP 13 Cb 0.00 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2wm2 h ASP 13 CO 0.00 0.75 -0.13 0.20 -1.72 0.00 0.00 179.24 178.34 2wm2 s ASN 14 N -6.03 6.72 -0.23 6.45 -0.87 -0.40 -5.06 114.94 115.52 2wm2 s ASN 14 Ca -0.16 0.96 -0.26 0.00 -1.57 0.00 0.00 52.86 51.84 2wm2 s ASN 14 Cb 0.02 -2.24 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 2wm2 s ASN 14 CO 0.72 0.05 0.90 -0.54 -2.57 0.00 0.00 177.10 175.65 2wm2 s LYS 15 N -2.28 4.22 -0.07 -0.60 1.02 -1.26 0.24 119.74 121.01 2wm2 s LYS 15 Ca 0.41 1.08 0.05 0.00 0.02 0.00 0.00 55.97 57.53 2wm2 s LYS 15 Cb -0.13 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 2wm2 s LYS 15 CO 0.20 -0.54 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.36 2wm2 s LEU 16 N 2.91 2.27 0.39 3.17 1.43 -0.33 -4.86 118.68 123.67 2wm2 s LEU 16 Ca 0.38 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2wm2 s LEU 16 Cb -0.15 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2wm2 s LEU 16 CO 0.07 0.25 0.70 -0.94 0.23 0.00 0.00 176.35 176.66 2wm2 s SER 17 N -0.17 6.41 -0.11 2.29 1.04 -1.26 -1.86 113.70 120.04 2wm2 s SER 17 Ca -0.03 0.92 -0.30 0.00 0.48 0.00 0.00 55.95 57.02 2wm2 s SER 17 Cb -0.14 -2.24 0.09 0.00 0.10 0.00 0.00 66.02 63.84 2wm2 s SER 17 CO 0.04 -0.39 0.79 -0.72 0.98 0.00 0.00 173.24 173.93 2wm2 s TYR 18 N -2.40 -0.58 0.33 5.02 1.13 -0.40 -1.22 117.35 119.24 2wm2 s TYR 18 Ca 0.47 1.04 -0.19 0.00 -1.41 0.00 0.00 57.07 56.99 2wm2 s TYR 18 Cb -0.10 0.41 -0.09 0.00 -1.10 0.00 0.00 41.96 41.07 2wm2 s TYR 18 CO 0.35 -0.50 0.82 0.42 -2.51 0.00 0.00 175.55 174.13 2wm2 s ILE 19 N -1.00 4.52 -0.30 -3.49 -1.09 0.05 -1.08 121.20 118.82 2wm2 s ILE 19 Ca -0.07 1.27 -0.09 0.00 -2.23 0.00 0.00 60.65 59.53 2wm2 s ILE 19 Cb -0.01 -3.71 0.17 0.00 -1.58 0.00 0.00 42.46 37.33 2wm2 s ILE 19 CO 0.06 -0.09 0.79 -0.62 -1.23 0.00 0.00 174.94 173.85 2wm2 s ASP 20 N -2.03 -0.96 0.00 3.58 -1.08 -0.93 -2.07 116.67 113.18 2wm2 s ASP 20 Ca 0.53 0.94 0.26 0.00 -0.52 0.00 0.00 52.55 53.77 2wm2 s ASP 20 Cb -0.12 1.94 1.38 0.00 -1.46 0.00 0.00 42.92 44.66 2wm2 s ASP 20 CO 0.18 -0.18 1.91 -0.46 0.52 0.00 0.00 175.17 177.14 2wm2 n ASN 21 N 5.33 0.51 -0.32 -0.34 0.23 -1.15 -4.68 115.26 114.85 2wm2 n ASN 21 Ca -0.07 -1.30 -0.03 0.00 -0.53 0.00 0.00 54.58 52.66 2wm2 n ASN 21 Cb 0.51 -0.01 -0.01 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 -0.54 -1.82 -1.68 -3.83 6.02 -1.26 -4.81 117.38 109.46 2wm2 n GLN 22 Ca 0.19 0.35 -0.50 0.00 -0.01 0.00 0.00 57.00 57.04 2wm2 n GLN 22 Cb 0.17 -4.06 -0.05 0.00 1.02 0.00 0.00 30.24 27.32 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 -0.02 1.93 -2.75 -1.09 3.00 -1.26 -4.88 116.66 111.59 2wm2 n ARG 23 Ca -0.03 0.70 -0.43 0.00 -0.00 0.00 0.00 57.85 58.10 2wm2 n ARG 23 Cb 0.29 -2.54 -0.03 0.00 0.00 0.00 0.00 32.46 30.17 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 4.19 6.50 0.37 6.15 -1.08 -1.26 -4.45 116.67 127.09 2wm2 s ASP 24 Ca 0.95 0.13 -0.16 0.00 -0.52 0.00 0.00 52.55 52.94 2wm2 s ASP 24 Cb -0.77 -2.48 0.06 0.00 -1.46 0.00 0.00 42.92 38.27 2wm2 s ASP 24 CO 0.54 -1.17 0.82 0.28 0.52 0.00 0.00 175.17 176.17 2wm2 s THR 25 N 4.07 0.00 0.36 1.71 -1.32 -1.26 -5.07 115.64 114.13 2wm2 s THR 25 Ca 0.39 -0.96 -0.27 0.00 -1.21 0.00 0.00 61.69 59.65 2wm2 s THR 25 Cb -0.09 -2.93 -0.09 0.00 -1.51 0.00 0.00 72.50 67.88 2wm2 s THR 25 CO 0.27 0.00 1.19 -1.81 -2.21 0.00 0.00 174.62 172.05 2wm2 s ASP 26 N -3.12 6.72 1.20 8.08 1.01 -1.26 -4.96 116.67 124.34 2wm2 s ASP 26 Ca 0.16 2.41 -0.16 0.00 0.71 0.00 0.00 52.55 55.67 2wm2 s ASP 26 Cb -0.05 -2.62 0.29 0.00 1.01 0.00 0.00 42.92 41.54 2wm2 s ASP 26 CO 0.11 -0.54 1.03 -0.83 0.21 0.00 0.00 175.17 175.15 2wm2 s GLY 27 N -0.94 1.52 0.59 0.21 0.00 -1.26 -4.81 107.32 102.63 2wm2 s GLY 27 Ca 0.53 -0.46 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 2wm2 s GLY 27 CO 0.42 0.33 0.92 2.56 0.00 0.00 0.00 173.10 177.33 2wm2 s PRO 28 N -4.82 3.01 0.53 2.90 0.04 -1.26 -4.86 135.00 130.54 2wm2 s PRO 28 Ca 0.68 0.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2wm2 s PRO 28 Cb -0.19 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 2wm2 s PRO 28 CO 0.61 -0.68 1.13 0.00 0.04 0.00 0.00 177.00 178.10 2wm2 s ALA 29 N -3.02 2.73 -0.27 8.56 0.00 -0.74 -4.65 121.76 124.37 2wm2 s ALA 29 Ca 0.54 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2wm2 s ALA 29 Cb -0.11 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2wm2 s ALA 29 CO 0.46 -0.75 0.20 0.42 0.00 0.00 0.00 175.76 176.09 2wm2 s ILE 30 N -1.75 5.31 -0.49 0.00 1.01 -0.46 0.12 121.20 124.94 2wm2 s ILE 30 Ca 0.72 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 2wm2 s ILE 30 Cb -0.24 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 38.80 2wm2 s ILE 30 CO 0.28 0.26 0.41 -0.22 0.00 0.00 0.00 174.94 175.66 2wm2 s LEU 31 N 1.68 5.80 -0.52 2.97 2.96 -0.42 -1.49 118.68 129.66 2wm2 s LEU 31 Ca 0.08 -1.66 -0.23 0.00 -0.22 0.00 0.00 54.13 52.10 2wm2 s LEU 31 Cb -0.16 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.44 2wm2 s LEU 31 CO 0.10 -0.72 0.85 -0.76 -1.32 0.00 0.00 176.35 174.50 2wm2 s LEU 32 N 1.54 4.29 -0.21 -0.68 1.43 -0.14 -0.17 118.68 124.74 2wm2 s LEU 32 Ca 0.04 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 2wm2 s LEU 32 Cb -0.27 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2wm2 s LEU 32 CO 0.03 -1.10 0.41 -0.76 0.23 0.00 0.00 176.35 175.16 2wm2 s LEU 33 N 3.56 4.15 0.65 1.79 1.43 0.04 -4.10 118.68 126.20 2wm2 s LEU 33 Ca 0.28 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2wm2 s LEU 33 Cb -0.14 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2wm2 s LEU 33 CO 0.19 -0.09 1.05 -2.84 0.23 0.00 0.00 176.35 174.88 2wm2 s PRO 34 N 1.39 3.28 0.00 1.29 0.02 -1.26 -2.65 135.00 137.06 2wm2 s PRO 34 Ca 0.19 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2wm2 s PRO 34 Cb -0.15 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2wm2 s PRO 34 CO 0.08 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2wm2 n GLY 35 N -2.84 -0.59 3.78 0.52 0.00 -1.24 -4.31 105.19 100.51 2wm2 n GLY 35 Ca 0.06 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 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 0.07 3.69 -1.55 1.61 0.52 -1.26 -4.24 118.94 117.79 2wm2 s TRP 36 Ca 0.00 1.74 -0.05 0.00 0.02 0.00 0.00 56.10 57.81 2wm2 s TRP 36 Cb 0.00 -2.89 0.01 0.00 -1.15 0.00 0.00 33.47 29.44 2wm2 s TRP 36 CO 0.00 0.23 0.58 0.00 0.02 0.00 0.00 176.95 177.79 2wm2 s HIS 38 N -3.16 0.11 0.25 0.00 -3.43 -1.26 -4.84 115.29 102.97 2wm2 s HIS 38 Ca 0.30 -0.65 0.04 0.00 -0.80 0.00 0.00 55.06 53.96 2wm2 s HIS 38 Cb -0.14 0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 2wm2 s HIS 38 CO 0.37 -1.37 0.14 -0.40 -2.00 0.00 0.00 174.74 171.49 2wm2 n ASP 39 N -0.98 0.37 -0.40 7.38 5.68 -1.26 -4.73 116.55 122.61 2wm2 n ASP 39 Ca -0.05 -2.48 0.37 0.00 -0.50 0.00 0.00 54.79 52.13 2wm2 n ASP 39 Cb 0.60 0.90 0.57 0.00 -1.14 0.00 0.00 41.12 42.05 2wm2 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wm2 n HIS 40 N -0.53 0.00 0.24 2.11 1.44 -1.26 -1.21 115.22 116.01 2wm2 n HIS 40 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2wm2 n HIS 40 Cb 0.41 -0.34 0.67 0.00 0.12 0.00 0.00 29.99 30.85 2wm2 n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wm2 h ARG 41 N 0.00 0.00 -0.11 -1.40 3.08 -1.99 -0.81 114.38 113.16 2wm2 h ARG 41 Ca 0.65 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.73 2wm2 h ARG 41 Cb 3.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 33.25 2wm2 h ARG 41 CO -0.01 0.00 0.19 -0.24 -1.07 0.00 0.00 179.97 178.84 2wm2 h VAL 42 N 0.00 0.27 -0.47 2.04 3.04 -1.57 -2.36 116.25 117.20 2wm2 h VAL 42 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2wm2 h VAL 42 Cb 0.08 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 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 -3.45 0.94 -0.08 3.17 0.53 -0.31 -4.37 117.16 113.60 2wm2 n TYR 43 Ca -0.00 -0.61 -0.03 0.00 -1.02 0.00 0.00 57.90 56.23 2wm2 n TYR 43 Cb 0.28 -0.15 0.19 0.00 -1.03 0.00 0.00 39.34 38.64 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 2.88 0.71 -0.05 -0.72 2.10 -1.47 0.27 116.57 120.29 2wm2 h LYS 44 Ca 0.00 -0.19 -0.20 0.00 -2.00 0.00 0.00 60.65 58.27 2wm2 h LYS 44 Cb 1.13 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2wm2 h LYS 44 CO 0.12 0.74 -0.80 1.88 -2.00 0.00 0.00 179.45 179.39 2wm2 h TYR 45 N 0.66 0.56 -0.25 0.07 -1.99 -1.83 -2.85 116.97 111.34 2wm2 h TYR 45 Ca 0.13 -0.27 -0.19 0.00 2.00 0.00 0.00 58.73 60.40 2wm2 h TYR 45 Cb 0.44 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2wm2 h TYR 45 CO 0.02 1.05 -0.59 1.25 -0.00 0.00 0.00 178.16 179.89 2wm2 h LEU 46 N 0.26 0.94 -0.79 3.88 5.85 -1.54 -2.96 115.31 120.95 2wm2 h LEU 46 Ca -0.05 -0.56 0.10 0.00 0.84 0.00 0.00 57.88 58.22 2wm2 h LEU 46 Cb 1.40 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 2wm2 h LEU 46 CO 0.14 1.33 0.42 0.40 -0.34 0.00 0.00 178.44 180.39 2wm2 h ILE 47 N 0.59 0.86 -0.97 4.05 2.04 -0.54 -1.74 117.51 121.79 2wm2 h ILE 47 Ca -0.00 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.71 2wm2 h ILE 47 Cb 1.20 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 2wm2 h ILE 47 CO 0.13 0.13 0.62 1.56 0.00 0.00 0.00 178.15 180.59 2wm2 h GLN 48 N 0.69 0.99 -0.07 2.37 4.20 -1.36 0.14 115.11 122.06 2wm2 h GLN 48 Ca 0.39 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.93 2wm2 h GLN 48 Cb 0.41 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2wm2 h GLN 48 CO -0.27 0.66 -0.44 0.93 -0.67 0.00 0.00 178.83 179.04 2wm2 h GLU 49 N 1.02 0.17 -0.01 1.46 4.39 -1.17 -3.30 114.58 117.15 2wm2 h GLU 49 Ca 0.45 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2wm2 h GLU 49 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2wm2 h GLU 49 CO -0.21 0.58 -0.42 1.28 -1.16 0.00 0.00 179.01 179.08 2wm2 n LEU 50 N -4.01 1.17 0.04 1.33 4.77 -0.90 -4.78 117.00 114.63 2wm2 n LEU 50 Ca -0.02 -0.67 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 2wm2 n LEU 50 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2wm2 n LEU 50 CO 0.41 0.24 0.75 -0.78 -1.33 0.00 0.00 177.39 176.68 2wm2 h ASP 51 N 0.99 -0.50 -0.42 -1.43 3.58 -0.83 -2.14 116.42 115.65 2wm2 h ASP 51 Ca 0.00 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2wm2 h ASP 51 Cb 0.42 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2wm2 h ASP 51 CO 0.00 -0.23 -0.08 0.00 -2.88 0.00 0.00 179.24 176.06 2wm2 h ALA 52 N 0.71 0.58 0.00 -0.78 0.00 -1.86 -3.32 119.26 114.59 2wm2 h ALA 52 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wm2 h ALA 52 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wm2 h ALA 52 CO -0.19 0.44 -1.03 -0.25 0.00 0.00 0.00 179.25 178.22 2wm2 n ASP 53 N -4.33 0.62 -4.11 0.00 8.00 -1.17 -4.94 116.55 110.62 2wm2 n ASP 53 Ca -0.01 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 2wm2 n ASP 53 Cb 0.35 0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 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 -3.23 0.78 -0.18 1.24 0.08 -0.81 -4.87 117.98 110.98 2wm2 s PHE 54 Ca 0.03 -0.66 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 2wm2 s PHE 54 Cb 0.14 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2wm2 s PHE 54 CO 0.80 -0.10 1.03 0.50 -0.10 0.00 0.00 175.22 177.34 2wm2 s ARG 55 N -2.46 4.33 -0.15 0.44 3.52 -1.26 -4.62 118.95 118.75 2wm2 s ARG 55 Ca -0.01 1.38 -0.00 0.00 -0.13 0.00 0.00 55.73 56.96 2wm2 s ARG 55 Cb -0.04 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2wm2 s ARG 55 CO -0.01 -0.50 -0.13 0.08 -0.81 0.00 0.00 175.30 173.93 2wm2 s VAL 56 N 2.71 2.95 -0.06 7.11 1.01 -1.26 -1.35 120.40 131.51 2wm2 s VAL 56 Ca 0.46 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2wm2 s VAL 56 Cb -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2wm2 s VAL 56 CO 0.11 0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 174.89 2wm2 s ILE 57 N 0.66 1.70 -0.33 2.22 -1.09 -0.55 -2.91 121.20 120.89 2wm2 s ILE 57 Ca -0.07 -0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2wm2 s ILE 57 Cb -0.15 -1.45 0.11 0.00 -1.58 0.00 0.00 42.46 39.38 2wm2 s ILE 57 CO 0.02 0.48 0.12 -0.69 -1.23 0.00 0.00 174.94 173.65 2wm2 s VAL 58 N 0.04 0.88 0.12 2.92 1.01 -0.88 -0.97 120.40 123.52 2wm2 s VAL 58 Ca -0.06 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 2wm2 s VAL 58 Cb -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 2wm2 s VAL 58 CO 0.04 -0.72 0.99 -2.16 0.00 0.00 0.00 175.10 173.25 2wm2 s PRO 59 N 1.44 4.67 0.19 2.72 0.04 -1.26 -0.77 135.00 142.04 2wm2 s PRO 59 Ca 0.11 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 2wm2 s PRO 59 Cb -0.18 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 2wm2 s PRO 59 CO -0.21 0.17 0.63 -0.80 0.04 0.00 0.00 177.00 176.84 2wm2 s ASN 60 N 0.02 6.91 0.95 6.66 0.01 -0.36 -4.45 114.94 124.69 2wm2 s ASN 60 Ca 0.48 1.23 -0.13 0.00 -0.71 0.00 0.00 52.86 53.72 2wm2 s ASN 60 Cb -0.24 -2.35 0.21 0.00 0.41 0.00 0.00 41.25 39.28 2wm2 s ASN 60 CO 0.31 0.05 1.28 0.79 -1.51 0.00 0.00 177.10 178.02 2wm2 n TRP 61 N 0.66 -3.76 -2.18 2.20 7.02 -1.26 -4.59 117.44 115.53 2wm2 n TRP 61 Ca -0.03 -1.33 -0.42 0.00 -1.02 0.00 0.00 57.50 54.69 2wm2 n TRP 61 Cb 0.52 -0.98 -0.03 0.00 -2.42 0.00 0.00 31.31 28.40 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 -5.79 4.28 -0.47 -0.99 0.52 -1.26 -1.82 118.95 113.41 2wm2 s ARG 62 Ca 0.75 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 2wm2 s ARG 62 Cb -0.02 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.93 2wm2 s ARG 62 CO 0.52 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.68 2wm2 n GLY 63 N 3.66 0.70 3.31 -3.53 0.00 -1.26 -4.95 105.19 103.12 2wm2 n GLY 63 Ca 0.13 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.17 2.29 -5.00 1.61 3.76 -0.76 -3.55 115.29 111.47 2wm2 s HIS 64 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 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 0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 2wm2 n GLY 65 N 2.28 -0.60 0.34 -2.22 0.00 -1.26 -4.54 105.19 99.18 2wm2 n GLY 65 Ca -0.16 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 0.17 -7.28 0.99 3.38 -1.99 -3.26 115.31 107.33 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 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.31 2wm2 h LEU 66 CO 0.00 0.11 -0.68 -0.55 0.09 0.00 0.00 178.44 177.40 2wm2 s SER 67 N -6.45 4.14 0.26 -0.43 0.15 -1.26 -5.05 113.70 105.06 2wm2 s SER 67 Ca -0.06 -2.69 -0.30 0.00 0.70 0.00 0.00 55.95 53.60 2wm2 s SER 67 Cb 0.19 -1.40 -0.10 0.00 -1.71 0.00 0.00 66.02 63.01 2wm2 s SER 67 CO 0.72 -0.27 1.30 -2.84 1.20 0.00 0.00 173.24 173.35 2wm2 s PRO 68 N 0.19 4.39 0.02 5.44 0.02 -1.23 -4.85 135.00 138.98 2wm2 s PRO 68 Ca 0.16 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.30 2wm2 s PRO 68 Cb -0.24 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 2wm2 s PRO 68 CO -0.02 -0.19 -0.05 -1.54 -0.33 0.00 0.00 177.00 174.87 2wm2 s SER 69 N -0.09 0.52 0.39 2.53 1.04 -1.23 -5.03 113.70 111.83 2wm2 s SER 69 Ca 0.53 -0.35 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 2wm2 s SER 69 Cb -0.38 0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.68 2wm2 s SER 69 CO 0.44 -0.13 1.29 -1.61 0.98 0.00 0.00 173.24 174.21 2wm2 s GLU 70 N -0.98 4.04 0.18 4.02 2.02 -1.26 -4.25 118.70 122.47 2wm2 s GLU 70 Ca -0.07 2.14 -0.08 0.00 0.02 0.00 0.00 54.97 56.97 2wm2 s GLU 70 Cb -0.07 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 2wm2 s GLU 70 CO -0.00 -0.42 0.28 0.14 0.02 0.00 0.00 175.26 175.28 2wm2 s VAL 71 N -1.25 0.05 0.65 2.63 -7.23 -1.26 -4.98 120.40 109.01 2wm2 s VAL 71 Ca 0.55 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 2wm2 s VAL 71 Cb -0.38 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2wm2 s VAL 71 CO 0.49 -0.24 1.13 -2.16 -0.31 0.00 0.00 175.10 174.01 2wm2 s PRO 72 N -4.00 2.80 0.55 4.82 0.04 -1.26 -4.95 135.00 133.00 2wm2 s PRO 72 Ca 0.20 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 2wm2 s PRO 72 Cb 0.03 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2wm2 s PRO 72 CO 0.02 -1.27 1.35 -3.47 0.04 0.00 0.00 177.00 173.67 2wm2 n ASP 73 N -2.21 2.65 -2.15 6.66 -0.08 -1.26 -5.03 116.55 115.12 2wm2 n ASP 73 Ca 0.11 0.98 -0.07 0.00 -1.51 0.00 0.00 54.79 54.30 2wm2 n ASP 73 Cb 0.51 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.40 2wm2 n ASP 73 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2wm2 n PHE 74 N -1.04 -1.54 -2.80 -0.67 -1.74 -1.26 -5.16 117.46 103.25 2wm2 n PHE 74 Ca 0.10 -1.27 0.00 0.00 -0.56 0.00 0.00 57.45 55.73 2wm2 n PHE 74 Cb 0.45 0.48 0.00 0.00 1.52 0.00 0.00 39.48 41.93 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 -0.34 3.99 0.22 4.97 0.00 -1.26 -4.95 105.19 107.82 2wm2 n GLY 75 Ca -0.03 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.24 0.00 -0.42 1.61 -0.00 -1.96 -2.46 116.97 113.98 2wm2 h TYR 76 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.64 2wm2 h TYR 76 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 2wm2 h TYR 76 CO 0.00 0.25 -0.11 1.96 -0.00 0.00 0.00 178.16 180.26 2wm2 h GLN 77 N 0.00 0.76 -0.30 0.10 7.50 -1.97 -1.68 115.11 119.52 2wm2 h GLN 77 Ca -0.00 -0.25 -0.18 0.00 0.50 0.00 0.00 58.65 58.72 2wm2 h GLN 77 Cb 0.61 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.07 2wm2 h GLN 77 CO 0.03 0.84 -0.50 0.93 -1.50 0.00 0.00 178.83 178.63 2wm2 h GLU 78 N 0.69 0.87 -0.95 1.46 3.07 -1.87 -2.97 114.58 114.88 2wm2 h GLU 78 Ca 0.12 -0.54 0.09 0.00 -0.50 0.00 0.00 59.36 58.53 2wm2 h GLU 78 Cb 0.58 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.47 2wm2 h GLU 78 CO 0.04 1.17 0.59 1.96 -1.40 0.00 0.00 179.01 181.37 2wm2 h GLN 79 N 0.66 0.97 0.89 2.33 4.20 -1.23 0.31 115.11 123.24 2wm2 h GLN 79 Ca 0.02 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2wm2 h GLN 79 Cb 1.11 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2wm2 h GLN 79 CO 0.11 0.64 -0.49 0.28 -0.67 0.00 0.00 178.83 178.71 2wm2 h VAL 80 N 1.00 0.02 -0.54 -0.54 2.07 -1.28 -1.26 116.25 115.71 2wm2 h VAL 80 Ca 0.44 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.06 2wm2 h VAL 80 Cb 0.33 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 2wm2 h VAL 80 CO -0.22 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.55 2wm2 h LYS 81 N -1.27 0.19 -0.99 1.57 1.57 -1.33 -0.30 116.57 116.02 2wm2 h LYS 81 Ca -0.12 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2wm2 h LYS 81 Cb 1.00 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.19 2wm2 h LYS 81 CO 0.16 0.13 0.62 -0.44 -0.57 0.00 0.00 179.45 179.35 2wm2 h ASP 82 N 0.20 0.96 -0.19 0.86 3.32 -0.89 0.31 116.42 120.98 2wm2 h ASP 82 Ca 0.28 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 2wm2 h ASP 82 Cb 0.41 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2wm2 h ASP 82 CO -0.40 0.56 -0.14 0.00 -1.72 0.00 0.00 179.24 177.54 2wm2 h ALA 83 N 1.49 0.28 -0.47 3.45 0.00 0.10 -2.68 119.26 121.43 2wm2 h ALA 83 Ca 0.46 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wm2 h ALA 83 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wm2 h ALA 83 CO -0.22 0.16 0.07 -0.07 0.00 0.00 0.00 179.25 179.19 2wm2 h LEU 84 N 0.11 0.68 -0.54 0.00 3.38 -0.82 -1.08 115.31 117.04 2wm2 h LEU 84 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2wm2 h LEU 84 Cb 0.66 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2wm2 h LEU 84 CO 0.04 0.71 0.17 -0.08 0.09 0.00 0.00 178.44 179.36 2wm2 h GLU 85 N 0.70 0.85 -0.39 1.13 4.57 -0.89 -0.04 114.58 120.50 2wm2 h GLU 85 Ca 0.15 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wm2 h GLU 85 Cb 0.32 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2wm2 h GLU 85 CO 0.00 0.77 0.26 0.82 -1.18 0.00 0.00 179.01 179.69 2wm2 h ILE 86 N 0.75 1.10 -0.38 2.32 2.04 -1.26 -1.71 117.51 120.38 2wm2 h ILE 86 Ca 0.18 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2wm2 h ILE 86 Cb 0.28 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2wm2 h ILE 86 CO -0.01 0.10 0.18 -0.07 0.00 0.00 0.00 178.15 178.36 2wm2 h LEU 87 N 0.53 0.46 0.51 1.44 3.38 -0.73 -1.19 115.31 119.72 2wm2 h LEU 87 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wm2 h LEU 87 Cb -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2wm2 h LEU 87 CO -0.03 0.40 -0.24 0.44 0.09 0.00 0.00 178.44 179.10 2wm2 h ASP 88 N 0.53 -0.58 -0.99 -0.43 3.32 -0.80 -0.75 116.42 116.72 2wm2 h ASP 88 Ca 0.13 -0.03 0.30 0.00 0.02 0.00 0.00 57.03 57.45 2wm2 h ASP 88 Cb 0.06 0.15 -0.14 0.00 0.22 0.00 0.00 39.33 39.61 2wm2 h ASP 88 CO -0.02 -0.17 0.53 1.56 -1.72 0.00 0.00 179.24 179.42 2wm2 h GLN 89 N -1.12 0.34 -0.00 3.56 4.20 -1.11 1.10 115.11 122.07 2wm2 h GLN 89 Ca -0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2wm2 h GLN 89 Cb 0.57 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2wm2 h GLN 89 CO 0.11 0.22 -0.02 1.28 -0.67 0.00 0.00 178.83 179.76 2wm2 n LEU 90 N -5.05 0.27 -3.35 1.46 4.77 -0.47 -4.93 117.00 109.70 2wm2 n LEU 90 Ca 0.30 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 2wm2 n LEU 90 Cb 0.91 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.97 2wm2 n LEU 90 CO 0.10 0.05 0.10 0.61 -1.33 0.00 0.00 177.39 176.92 2wm2 n GLY 91 N 1.12 -0.53 3.79 -0.72 0.00 0.38 -4.98 105.19 104.25 2wm2 n GLY 91 Ca 0.20 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.23 5.34 -0.01 1.61 1.01 -0.32 -5.02 120.40 119.77 2wm2 s VAL 92 Ca 0.45 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2wm2 s VAL 92 Cb -0.21 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2wm2 s VAL 92 CO 0.56 0.50 -0.01 1.21 0.00 0.00 0.00 175.10 177.35 2wm2 n GLU 93 N 2.82 0.02 -3.67 2.72 4.07 -1.26 -4.61 120.64 120.73 2wm2 n GLU 93 Ca -0.15 0.01 -0.36 0.00 -0.06 0.00 0.00 57.16 56.60 2wm2 n GLU 93 Cb 0.53 -0.45 -0.07 0.00 -0.06 0.00 0.00 31.44 31.38 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 -1.09 5.37 0.03 6.31 -1.32 -1.26 -4.79 115.64 118.89 2wm2 s THR 94 Ca -0.01 0.34 -0.03 0.00 -1.21 0.00 0.00 61.69 60.78 2wm2 s THR 94 Cb 0.00 -3.53 -0.02 0.00 -1.51 0.00 0.00 72.50 67.45 2wm2 s THR 94 CO 0.02 0.45 0.04 0.72 -2.21 0.00 0.00 174.62 173.64 2wm2 s PHE 95 N 0.17 0.28 -0.43 9.09 -0.12 -0.76 -1.79 117.98 124.41 2wm2 s PHE 95 Ca 0.12 -0.61 -0.08 0.00 -0.05 0.00 0.00 56.93 56.31 2wm2 s PHE 95 Cb -0.12 -0.20 0.10 0.00 -0.63 0.00 0.00 43.02 42.16 2wm2 s PHE 95 CO 0.01 -0.32 0.27 -1.17 -0.05 0.00 0.00 175.22 173.96 2wm2 s LEU 96 N -2.08 5.31 0.25 -1.99 2.96 0.32 -4.34 118.68 119.10 2wm2 s LEU 96 Ca -0.06 -1.74 -0.30 0.00 -0.22 0.00 0.00 54.13 51.82 2wm2 s LEU 96 Cb -0.02 -1.95 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 2wm2 s LEU 96 CO -0.05 -0.58 1.08 -2.16 -1.32 0.00 0.00 176.35 173.32 2wm2 s PRO 97 N 1.34 4.66 -0.08 0.98 0.04 -1.26 -1.31 135.00 139.38 2wm2 s PRO 97 Ca 0.05 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2wm2 s PRO 97 Cb -0.24 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2wm2 s PRO 97 CO -0.00 0.22 -0.02 0.08 0.04 0.00 0.00 177.00 177.32 2wm2 s VAL 98 N -0.93 0.56 0.14 -0.36 1.01 0.77 -1.89 120.40 119.71 2wm2 s VAL 98 Ca 0.45 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2wm2 s VAL 98 Cb -0.30 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2wm2 s VAL 98 CO 0.38 0.29 0.03 -0.94 0.00 0.00 0.00 175.10 174.87 2wm2 s SER 99 N 1.90 5.05 -0.18 3.32 1.04 -0.47 -0.78 113.70 123.58 2wm2 s SER 99 Ca 0.05 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 2wm2 s SER 99 Cb -0.12 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.78 2wm2 s SER 99 CO -0.06 0.11 0.01 -2.28 0.98 0.00 0.00 173.24 172.00 2wm2 s HIS 100 N -1.59 3.11 0.00 5.02 2.46 -1.08 -0.36 115.29 122.85 2wm2 s HIS 100 Ca 0.28 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.62 2wm2 s HIS 100 Cb -0.10 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.31 2wm2 s HIS 100 CO 0.20 -0.01 0.00 0.45 -2.47 0.00 0.00 174.74 172.91 2wm2 n SER 101 N 3.71 0.00 -0.05 9.88 2.88 0.38 -1.42 113.62 128.99 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 -1.10 115.22 128.16 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 -0.01 0.36 0.00 -0.00 0.00 0.00 29.99 30.34 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 0.35 -0.88 0.18 -1.41 0.00 -0.51 -3.42 105.19 99.49 2wm2 n GLY 103 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 2.57 0.04 1.01 -0.02 0.00 -1.29 -1.33 103.07 104.04 2wm2 h GLY 104 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2wm2 h GLY 104 CO 0.00 0.03 0.46 1.49 0.00 0.00 0.00 176.54 178.52 2wm2 h TRP 105 N 0.03 0.97 0.09 5.60 4.06 -1.82 0.93 115.95 125.81 2wm2 h TRP 105 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wm2 h TRP 105 Cb 0.71 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 2wm2 h TRP 105 CO 0.00 0.64 -0.04 0.28 -3.56 0.00 0.00 178.44 175.76 2wm2 h VAL 106 N 1.01 0.93 -0.85 1.49 2.07 -1.68 -2.48 116.25 116.74 2wm2 h VAL 106 Ca 0.27 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.77 2wm2 h VAL 106 Cb -0.06 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2wm2 h VAL 106 CO -0.05 0.02 0.54 0.25 0.02 0.00 0.00 177.57 178.34 2wm2 h LEU 107 N -0.15 0.88 -0.31 2.57 6.46 -0.69 0.32 115.31 124.39 2wm2 h LEU 107 Ca -0.01 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 2wm2 h LEU 107 Cb 0.12 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2wm2 h LEU 107 CO 0.02 0.59 -0.86 0.58 -0.62 0.00 0.00 178.44 178.15 2wm2 h VAL 108 N 1.03 1.51 0.00 1.05 2.07 -0.81 -0.83 116.25 120.26 2wm2 h VAL 108 Ca 0.35 -2.63 -0.14 0.00 0.82 0.00 0.00 66.70 65.10 2wm2 h VAL 108 Cb 0.05 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2wm2 h VAL 108 CO -0.13 0.76 -0.67 -0.08 0.02 0.00 0.00 177.57 177.47 2wm2 h GLU 109 N 0.09 0.00 -0.33 1.57 4.57 -1.23 -3.00 114.58 116.25 2wm2 h GLU 109 Ca -0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 2wm2 h GLU 109 Cb 1.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 2wm2 h GLU 109 CO 0.13 0.67 -0.21 1.25 -1.18 0.00 0.00 179.01 179.67 2wm2 h LEU 110 N 0.00 0.76 -0.83 1.64 5.85 -0.16 -2.01 115.31 120.56 2wm2 h LEU 110 Ca -0.01 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.36 2wm2 h LEU 110 Cb 1.42 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2wm2 h LEU 110 CO 0.09 1.02 0.49 -0.07 -0.34 0.00 0.00 178.44 179.63 2wm2 h LEU 111 N 0.50 0.74 0.19 2.25 3.38 -1.21 -1.35 115.31 119.80 2wm2 h LEU 111 Ca 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wm2 h LEU 111 Cb 0.76 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2wm2 h LEU 111 CO 0.06 0.45 -0.09 -0.08 0.09 0.00 0.00 178.44 178.87 2wm2 h GLU 112 N 0.86 -0.24 -0.06 1.13 4.57 -1.35 -1.09 114.58 118.40 2wm2 h GLU 112 Ca 0.38 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.50 2wm2 h GLU 112 Cb 0.27 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2wm2 h GLU 112 CO -0.21 0.00 -0.28 1.96 -1.18 0.00 0.00 179.01 179.31 2wm2 h GLN 113 N -0.47 0.30 0.00 1.92 4.20 -1.30 -3.20 115.11 116.56 2wm2 h GLN 113 Ca -0.03 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2wm2 h GLN 113 Cb 0.36 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2wm2 h GLN 113 CO 0.04 0.88 -0.29 0.00 -0.67 0.00 0.00 178.83 178.79 2wm2 h ALA 114 N 0.42 1.12 -1.29 3.87 0.00 -1.36 -3.50 119.26 118.53 2wm2 h ALA 114 Ca -0.02 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.76 2wm2 h ALA 114 Cb 0.93 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2wm2 h ALA 114 CO 0.06 0.37 -0.44 0.41 0.00 0.00 0.00 179.25 179.65 2wm2 n GLY 115 N -0.10 -2.70 0.12 0.00 0.00 -0.41 -4.06 105.19 98.04 2wm2 n GLY 115 Ca -0.01 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.96 0.19 0.14 1.61 -0.04 -1.26 -0.85 135.00 131.82 2wm2 n PRO 116 Ca -0.03 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.59 2wm2 n PRO 116 Cb 0.25 -1.85 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.54 0.08 0.54 5.08 -1.96 -3.05 114.58 115.80 2wm2 h GLU 117 Ca 0.00 -0.92 -0.00 0.00 -1.00 0.00 0.00 59.36 57.44 2wm2 h GLU 117 Cb 0.37 0.34 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2wm2 h GLU 117 CO 0.00 1.44 -0.04 0.00 -1.00 0.00 0.00 179.01 179.41 2wm2 h ARG 118 N 0.14 -0.10 -3.37 2.33 3.08 -1.60 -3.42 114.38 111.44 2wm2 h ARG 118 Ca -0.27 0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.14 2wm2 h ARG 118 Cb 2.17 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 31.84 2wm2 h ARG 118 CO 0.27 0.43 -0.54 0.00 -1.07 0.00 0.00 179.97 179.05 2wm2 s ALA 119 N -3.06 3.48 -0.29 0.04 0.00 -0.03 -1.83 121.76 120.06 2wm2 s ALA 119 Ca -0.12 -3.38 0.25 0.00 0.00 0.00 0.00 51.96 48.70 2wm2 s ALA 119 Cb -0.01 -2.29 0.58 0.00 0.00 0.00 0.00 23.12 21.40 2wm2 s ALA 119 CO 0.46 -2.06 1.69 -1.00 0.00 0.00 0.00 175.76 174.86 2wm2 h PRO 120 N 6.42 0.00 -4.07 0.00 0.13 -1.73 -3.36 132.00 129.39 2wm2 h PRO 120 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2wm2 h PRO 120 Cb 0.88 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.89 2wm2 h PRO 120 CO 0.70 0.03 -0.33 1.03 -0.23 0.00 0.00 178.00 179.20 2wm2 s ARG 121 N -3.31 1.42 -0.19 0.86 0.52 -1.26 -4.13 118.95 112.85 2wm2 s ARG 121 Ca 0.05 -1.43 -0.23 0.00 -0.52 0.00 0.00 55.73 53.60 2wm2 s ARG 121 Cb 0.06 0.38 0.06 0.00 0.52 0.00 0.00 34.95 35.98 2wm2 s ARG 121 CO 0.64 -0.54 0.61 0.20 0.02 0.00 0.00 175.30 176.23 2wm2 s GLY 122 N -3.09 -0.47 -0.15 -3.53 0.00 -0.95 -4.18 107.32 94.97 2wm2 s GLY 122 Ca 0.30 1.59 -0.00 0.00 0.00 0.00 0.00 44.72 46.61 2wm2 s GLY 122 CO 0.11 1.33 -0.14 -0.42 0.00 0.00 0.00 173.10 173.99 2wm2 s ILE 123 N -0.02 2.89 -0.11 0.90 1.01 -0.79 -2.00 121.20 123.07 2wm2 s ILE 123 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2wm2 s ILE 123 Cb -0.04 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2wm2 s ILE 123 CO 0.03 0.51 -0.05 0.27 0.00 0.00 0.00 174.94 175.70 2wm2 s ILE 124 N 0.62 3.79 -0.13 2.92 -4.36 -0.72 -1.37 121.20 121.95 2wm2 s ILE 124 Ca -0.08 -0.42 -0.03 0.00 -0.26 0.00 0.00 60.65 59.87 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 0.03 0.55 -0.04 -0.04 0.24 0.00 0.00 174.94 175.68 2wm2 s MET 125 N -0.21 3.40 -0.44 0.37 -1.94 0.51 -1.73 119.30 119.27 2wm2 s MET 125 Ca 0.03 -0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 53.35 2wm2 s MET 125 Cb -0.13 -2.84 0.02 0.00 2.01 0.00 0.00 34.83 33.90 2wm2 s MET 125 CO 0.03 0.39 0.45 -3.47 -0.01 0.00 0.00 175.02 172.41 2wm2 n ASP 126 N 3.07 -3.65 -3.81 3.03 -0.08 -0.07 -0.47 116.55 114.57 2wm2 n ASP 126 Ca -0.18 -0.37 -0.24 0.00 -1.51 0.00 0.00 54.79 52.49 2wm2 n ASP 126 Cb 0.53 -1.12 -0.17 0.00 2.34 0.00 0.00 41.12 42.69 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 -1.76 0.91 -0.31 -0.67 -0.00 -1.26 -3.22 118.94 112.63 2wm2 s TRP 127 Ca 0.15 -0.34 -0.28 0.00 -0.00 0.00 0.00 56.10 55.63 2wm2 s TRP 127 Cb -0.02 -0.93 -0.06 0.00 -0.00 0.00 0.00 33.47 32.46 2wm2 s TRP 127 CO 0.63 -0.39 2.28 1.28 -0.00 0.00 0.00 176.95 180.75 2wm2 n LEU 128 N 5.09 2.87 0.20 5.86 4.77 -1.26 -4.84 117.00 129.69 2wm2 n LEU 128 Ca -0.09 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2wm2 n LEU 128 Cb 0.50 -1.53 0.32 0.00 -2.33 0.00 0.00 43.42 40.38 2wm2 n LEU 128 CO 0.12 -0.93 0.71 0.24 -1.33 0.00 0.00 177.39 176.20 2wm2 h MET 129 N 15.99 0.00 -6.46 3.23 2.86 -1.98 -3.43 114.93 125.14 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 1.26 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.92 2wm2 h MET 129 CO 1.02 0.30 -0.24 1.67 1.06 0.00 0.00 176.91 180.73 2wm2 s TRP 130 N -3.45 3.46 0.46 -0.22 -2.14 -1.26 -4.04 118.94 111.74 2wm2 s TRP 130 Ca 0.02 0.25 -0.24 0.00 2.66 0.00 0.00 56.10 58.79 2wm2 s TRP 130 Cb 0.09 -1.86 -0.07 0.00 -3.10 0.00 0.00 33.47 28.53 2wm2 s TRP 130 CO 0.67 0.15 1.30 0.00 -2.66 0.00 0.00 176.95 176.42 2wm2 s ALA 131 N -2.26 3.10 0.06 2.67 0.00 -1.26 -4.83 121.76 119.22 2wm2 s ALA 131 Ca 0.39 1.23 -0.36 0.00 0.00 0.00 0.00 51.96 53.22 2wm2 s ALA 131 Cb -0.09 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 2wm2 s ALA 131 CO 0.35 -0.97 1.53 -2.30 0.00 0.00 0.00 175.76 174.37 2wm2 n PRO 132 N -0.31 1.64 -1.67 0.00 -0.02 -1.26 -4.99 135.00 128.39 2wm2 n PRO 132 Ca 0.06 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 2wm2 n PRO 132 Cb 0.45 -2.31 0.06 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 1.36 2.73 0.24 -0.52 -0.14 -1.26 -4.74 119.74 117.41 2wm2 s LYS 133 Ca 0.85 0.73 -0.06 0.00 -1.36 0.00 0.00 55.97 56.13 2wm2 s LYS 133 Cb -0.83 -1.98 0.41 0.00 -1.68 0.00 0.00 37.83 33.75 2wm2 s LYS 133 CO 0.46 -1.18 1.72 -1.35 -0.76 0.00 0.00 175.35 174.23 2wm2 h PRO 134 N -0.77 0.36 -0.03 -1.68 0.11 -1.98 0.31 132.00 128.32 2wm2 h PRO 134 Ca -0.45 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2wm2 h PRO 134 Cb 1.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2wm2 h PRO 134 CO 0.60 0.24 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.05 2wm2 h ASP 135 N 0.38 -0.42 -0.33 -2.05 5.19 -1.99 0.33 116.42 117.53 2wm2 h ASP 135 Ca 0.39 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 2wm2 h ASP 135 Cb 0.59 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2wm2 h ASP 135 CO -0.41 -0.19 -0.13 0.15 -3.12 0.00 0.00 179.24 175.53 2wm2 h PHE 136 N -0.22 0.75 -0.51 4.55 3.57 -1.84 -2.34 116.94 120.91 2wm2 h PHE 136 Ca 0.06 -0.18 0.08 0.00 3.53 0.00 0.00 57.97 61.46 2wm2 h PHE 136 Cb 0.30 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 2wm2 h PHE 136 CO -0.21 0.86 0.13 0.00 -2.23 0.00 0.00 178.31 176.85 2wm2 h ALA 137 N 0.78 0.59 -0.91 2.41 0.00 -0.68 0.41 119.26 121.87 2wm2 h ALA 137 Ca 0.08 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2wm2 h ALA 137 Cb 0.64 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2wm2 h ALA 137 CO 0.04 -0.28 0.59 -0.22 0.00 0.00 0.00 179.25 179.38 2wm2 h LYS 138 N 0.28 0.93 -0.45 0.00 1.63 -0.21 -2.05 116.57 116.70 2wm2 h LYS 138 Ca 0.25 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2wm2 h LYS 138 Cb 0.33 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2wm2 h LYS 138 CO -0.31 0.62 0.21 0.77 -3.45 0.00 0.00 179.45 177.29 2wm2 h SER 139 N 0.96 0.59 -0.72 4.20 0.02 -0.39 -1.33 113.55 116.88 2wm2 h SER 139 Ca 0.41 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2wm2 h SER 139 Cb 0.32 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2wm2 h SER 139 CO -0.17 0.55 0.30 -0.07 -1.14 0.00 0.00 176.83 176.31 2wm2 h LEU 140 N 0.58 0.97 -0.21 5.07 3.38 -0.89 0.24 115.31 124.45 2wm2 h LEU 140 Ca 0.15 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2wm2 h LEU 140 Cb 0.12 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2wm2 h LEU 140 CO -0.02 0.86 -0.23 0.74 0.09 0.00 0.00 178.44 179.89 2wm2 h THR 141 N 1.02 0.43 -0.27 0.22 2.02 -1.04 -1.51 112.91 113.76 2wm2 h THR 141 Ca 0.24 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.44 2wm2 h THR 141 Cb 0.18 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2wm2 h THR 141 CO -0.02 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.93 2wm2 h LEU 142 N -0.24 0.20 -0.86 2.58 4.07 -0.73 -2.83 115.31 117.50 2wm2 h LEU 142 Ca 0.13 0.01 0.14 0.00 0.08 0.00 0.00 57.88 58.24 2wm2 h LEU 142 Cb 0.44 -0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.06 2wm2 h LEU 142 CO -0.35 0.15 0.45 -0.07 -1.08 0.00 0.00 178.44 177.54 2wm2 h LEU 143 N 0.29 0.56 -1.00 1.67 3.38 -0.12 -1.75 115.31 118.34 2wm2 h LEU 143 Ca 0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wm2 h LEU 143 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wm2 h LEU 143 CO -0.08 0.25 0.00 0.11 0.09 0.00 0.00 178.44 178.81 2wm2 h LYS 144 N 0.65 0.00 -5.86 1.13 1.57 -1.04 -3.32 116.57 109.70 2wm2 h LYS 144 Ca 0.46 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.64 2wm2 h LYS 144 Cb 0.63 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 2wm2 h LYS 144 CO -0.35 0.00 0.46 0.34 -0.57 0.00 0.00 179.45 179.33 2wm2 s ASP 145 N -5.28 6.66 0.17 0.86 -1.08 -0.66 -4.92 116.67 112.43 2wm2 s ASP 145 Ca 0.03 0.62 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 2wm2 s ASP 145 Cb 0.09 -2.42 0.73 0.00 -1.46 0.00 0.00 42.92 39.85 2wm2 s ASP 145 CO 0.52 -0.69 1.47 -0.81 0.52 0.00 0.00 175.17 176.17 2wm2 n PRO 146 N 6.38 0.09 0.06 4.34 -0.04 -1.26 -1.36 135.00 143.22 2wm2 n PRO 146 Ca 0.05 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 64.02 2wm2 n PRO 146 Cb 0.48 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 2wm2 n PRO 146 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wm2 h GLU 147 N 0.00 0.00 0.00 0.54 4.39 -1.92 -3.41 114.58 114.19 2wm2 h GLU 147 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wm2 h GLU 147 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2wm2 h GLU 147 CO 0.00 0.25 -0.20 0.54 -1.16 0.00 0.00 179.01 178.44 2wm2 n ARG 148 N -2.89 0.78 0.03 2.33 1.74 -0.61 -4.85 116.66 113.17 2wm2 n ARG 148 Ca -0.06 -1.43 -0.00 0.00 -0.77 0.00 0.00 57.85 55.59 2wm2 n ARG 148 Cb 0.76 -0.86 0.30 0.00 -1.02 0.00 0.00 32.46 31.65 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 0.48 -0.06 -1.55 5.08 -1.26 0.26 115.95 118.91 2wm2 h TRP 149 Ca 0.00 -0.06 -0.22 0.00 1.08 0.00 0.00 58.89 59.69 2wm2 h TRP 149 Cb 1.09 -0.14 0.01 0.00 -3.00 0.00 0.00 29.16 27.13 2wm2 h TRP 149 CO 0.04 0.53 -0.82 -0.09 -1.28 0.00 0.00 178.44 176.82 2wm2 h ARG 150 N 0.44 0.66 -0.96 0.12 2.43 -1.88 -1.16 114.38 114.02 2wm2 h ARG 150 Ca 0.09 -0.63 0.12 0.00 -0.81 0.00 0.00 59.98 58.74 2wm2 h ARG 150 Cb 0.40 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 2wm2 h ARG 150 CO 0.02 1.24 0.61 1.49 -1.51 0.00 0.00 179.97 181.82 2wm2 h GLU 151 N 0.32 0.91 0.13 0.20 4.81 -1.85 -1.84 114.58 117.26 2wm2 h GLU 151 Ca -0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2wm2 h GLU 151 Cb 1.48 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2wm2 h GLU 151 CO 0.16 0.60 -0.06 0.78 -0.73 0.00 0.00 179.01 179.77 2wm2 h GLY 152 N 0.94 -0.18 1.40 1.92 0.00 -0.46 -2.43 103.07 104.27 2wm2 h GLY 152 Ca 0.47 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.85 2wm2 h GLY 152 CO -0.23 -0.06 0.28 -0.91 0.00 0.00 0.00 176.54 175.62 2wm2 h THR 153 N -0.17 1.18 -0.16 4.70 1.35 -0.96 -2.73 112.91 116.12 2wm2 h THR 153 Ca -0.02 -0.49 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 2wm2 h THR 153 Cb 0.13 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 2wm2 h THR 153 CO 0.03 0.21 -0.28 0.45 -0.25 0.00 0.00 175.52 175.68 2wm2 h HIS 154 N 0.79 0.33 -0.30 4.73 -0.00 -1.21 -0.37 115.15 119.11 2wm2 h HIS 154 Ca 0.20 -0.07 -0.10 0.00 -0.00 0.00 0.00 60.37 60.41 2wm2 h HIS 154 Cb 0.06 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2wm2 h HIS 154 CO 0.01 0.55 -0.22 0.78 -0.00 0.00 0.00 177.93 179.05 2wm2 h GLY 155 N 1.02 0.60 0.90 2.45 0.00 -1.15 -2.16 103.07 104.73 2wm2 h GLY 155 Ca 0.04 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2wm2 h GLY 155 CO 0.05 0.44 -0.42 1.41 0.00 0.00 0.00 176.54 178.02 2wm2 h LEU 156 N 0.50 0.65 -1.32 3.11 3.38 -1.16 -2.88 115.31 117.59 2wm2 h LEU 156 Ca 0.08 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.52 2wm2 h LEU 156 Cb 0.65 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2wm2 h LEU 156 CO 0.05 1.11 0.50 -0.26 0.09 0.00 0.00 178.44 179.93 2wm2 h PHE 157 N 0.21 0.84 0.48 1.13 0.04 -0.98 0.26 116.94 118.93 2wm2 h PHE 157 Ca -0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wm2 h PHE 157 Cb 1.03 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2wm2 h PHE 157 CO 0.10 0.46 -0.36 -0.44 -0.60 0.00 0.00 178.31 177.47 2wm2 h ASP 158 N 0.85 -0.95 -0.51 2.17 3.32 -1.36 -1.68 116.42 118.25 2wm2 h ASP 158 Ca 0.32 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.52 2wm2 h ASP 158 Cb 0.19 0.29 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 2wm2 h ASP 158 CO -0.11 -0.52 0.12 0.58 -1.72 0.00 0.00 179.24 177.60 2wm2 h VAL 159 N -0.81 0.74 -0.69 -1.35 2.07 -1.19 -1.33 116.25 113.69 2wm2 h VAL 159 Ca -0.06 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2wm2 h VAL 159 Cb 0.67 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2wm2 h VAL 159 CO 0.02 0.05 0.26 -0.50 0.02 0.00 0.00 177.57 177.41 2wm2 h TRP 160 N 0.27 1.08 0.00 1.57 6.55 -0.47 -2.17 115.95 122.77 2wm2 h TRP 160 Ca 0.25 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 60.00 2wm2 h TRP 160 Cb 0.33 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 2wm2 h TRP 160 CO -0.21 0.84 0.00 -0.07 -1.05 0.00 0.00 178.44 177.95 2wm2 h LEU 161 N 1.00 0.00 -1.60 -4.49 3.38 -1.04 -0.78 115.31 111.78 2wm2 h LEU 161 Ca 0.23 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.68 2wm2 h LEU 161 Cb 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2wm2 h LEU 161 CO -0.01 0.00 -0.86 -0.67 0.09 0.00 0.00 178.44 176.98 2wm2 n ASP 162 N -3.06 -1.51 -0.18 -0.43 2.03 -0.52 -1.68 116.55 111.19 2wm2 n ASP 162 Ca 0.03 -1.00 -0.02 0.00 0.52 0.00 0.00 54.79 54.32 2wm2 n ASP 162 Cb 0.47 -3.00 -0.01 0.00 -0.72 0.00 0.00 41.12 37.86 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 -1.80 0.57 3.66 0.27 0.00 -1.26 -5.01 105.19 101.63 2wm2 n GLY 163 Ca -0.17 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 3.06 -1.13 1.61 3.76 -0.67 -5.01 115.29 114.90 2wm2 s HIS 164 Ca 0.00 0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2wm2 s HIS 164 Cb 0.00 -1.70 0.21 0.00 1.11 0.00 0.00 32.58 32.20 2wm2 s HIS 164 CO 0.00 0.44 2.17 -3.47 -0.85 0.00 0.00 174.74 173.03 2wm2 n ASP 165 N 1.68 7.66 -4.59 1.40 2.03 -1.26 -4.94 116.55 118.53 2wm2 n ASP 165 Ca -0.16 -3.40 -0.42 0.00 0.52 0.00 0.00 54.79 51.33 2wm2 n ASP 165 Cb 0.53 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 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 -2.61 3.53 0.20 -0.67 2.56 -1.26 -4.92 118.70 115.52 2wm2 s GLU 166 Ca 0.48 0.48 -0.11 0.00 0.00 0.00 0.00 54.97 55.82 2wm2 s GLU 166 Cb 0.21 -4.01 0.25 0.00 2.00 0.00 0.00 34.13 32.58 2wm2 s GLU 166 CO -0.13 -1.65 1.70 -0.22 -0.56 0.00 0.00 175.26 174.40 2wm2 h LYS 167 N 9.98 0.22 -0.07 4.30 3.64 -2.00 -1.97 116.57 130.67 2wm2 h LYS 167 Ca -0.25 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.87 2wm2 h LYS 167 Cb 1.07 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2wm2 h LYS 167 CO 1.16 0.15 -0.92 0.00 -2.27 0.00 0.00 179.45 177.56 2wm2 h ARG 168 N 0.23 0.75 -0.02 1.90 3.08 -1.98 -2.78 114.38 115.55 2wm2 h ARG 168 Ca 0.29 -0.71 -0.11 0.00 0.07 0.00 0.00 59.98 59.52 2wm2 h ARG 168 Cb 0.42 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2wm2 h ARG 168 CO -0.39 1.29 -0.52 0.28 -1.07 0.00 0.00 179.97 179.57 2wm2 h VAL 169 N 0.46 1.37 -0.29 2.04 2.07 -1.93 -2.51 116.25 117.47 2wm2 h VAL 169 Ca -0.09 -1.80 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 2wm2 h VAL 169 Cb 1.56 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2wm2 h VAL 169 CO 0.18 0.52 -0.37 0.03 0.02 0.00 0.00 177.57 177.95 2wm2 h ARG 170 N 0.04 0.66 -0.74 1.57 3.08 -1.37 -2.31 114.38 115.31 2wm2 h ARG 170 Ca -0.00 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2wm2 h ARG 170 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2wm2 h ARG 170 CO 0.07 0.93 0.23 1.25 -1.07 0.00 0.00 179.97 181.37 2wm2 h HIS 171 N 0.55 1.19 -0.08 3.04 2.76 -1.23 -0.31 115.15 121.06 2wm2 h HIS 171 Ca 0.05 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2wm2 h HIS 171 Cb 0.89 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 2wm2 h HIS 171 CO 0.04 0.94 0.03 1.25 -1.30 0.00 0.00 177.93 178.89 2wm2 h HIS 172 N 1.10 0.12 -0.38 5.26 -0.00 -1.31 -1.09 115.15 118.86 2wm2 h HIS 172 Ca 0.24 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.43 2wm2 h HIS 172 Cb 0.31 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2wm2 h HIS 172 CO 0.03 0.23 -0.41 -0.07 -0.00 0.00 0.00 177.93 177.71 2wm2 h LEU 173 N -0.03 1.01 0.00 0.26 3.38 -1.27 -0.25 115.31 118.41 2wm2 h LEU 173 Ca 0.03 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wm2 h LEU 173 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wm2 h LEU 173 CO -0.00 1.28 -1.57 0.18 0.09 0.00 0.00 178.44 178.41 2wm2 n LEU 174 N -4.05 0.36 -0.03 1.67 4.77 -0.14 -4.07 117.00 115.50 2wm2 n LEU 174 Ca -0.02 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2wm2 n LEU 174 Cb 0.56 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2wm2 n LEU 174 CO 0.49 -0.06 -0.68 1.21 -1.33 0.00 0.00 177.39 177.02 2wm2 n GLU 175 N -2.36 0.11 0.19 3.23 4.07 -0.45 -4.39 120.64 121.04 2wm2 n GLU 175 Ca -0.02 0.05 0.12 0.00 -0.06 0.00 0.00 57.16 57.25 2wm2 n GLU 175 Cb 0.55 -0.70 0.20 0.00 -0.06 0.00 0.00 31.44 31.42 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 -0.19 0.00 -0.08 5.31 5.08 -1.04 -3.10 114.58 120.57 2wm2 h GLU 176 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2wm2 h GLU 176 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wm2 h GLU 176 CO -0.08 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.60 2wm2 n MET 177 N -2.94 1.89 -0.35 2.33 2.81 -0.14 -4.68 117.12 116.03 2wm2 n MET 177 Ca 0.04 -1.78 -0.03 0.00 -1.81 0.00 0.00 57.70 54.13 2wm2 n MET 177 Cb 0.52 -1.40 0.10 0.00 -0.71 0.00 0.00 33.22 31.73 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 3.92 1.20 0.00 3.04 0.00 -1.71 -2.75 119.26 122.96 2wm2 h ALA 178 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wm2 h ALA 178 Cb 0.85 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wm2 h ALA 178 CO 0.00 0.63 0.00 -0.44 0.00 0.00 0.00 179.25 179.44 2wm2 h ASP 179 N 1.29 0.00 -3.11 0.00 3.32 -1.83 -3.44 116.42 112.65 2wm2 h ASP 179 Ca 0.34 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.82 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 -0.07 0.00 0.90 -0.31 -1.72 0.00 0.00 179.24 178.04 2wm2 s TYR 180 N -3.36 2.93 0.00 4.55 1.51 -1.04 -4.83 117.35 117.11 2wm2 s TYR 180 Ca 0.05 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 2wm2 s TYR 180 Cb 0.09 -3.65 0.00 0.00 -0.11 0.00 0.00 41.96 38.29 2wm2 s TYR 180 CO 0.48 -1.31 0.00 0.41 -1.11 0.00 0.00 175.55 174.02 2wm2 n GLY 181 N 3.87 1.43 0.26 0.71 0.00 -1.26 -4.90 105.19 105.30 2wm2 n GLY 181 Ca 0.13 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.08 0.00 -0.98 1.61 3.20 -1.98 -2.54 116.97 116.21 2wm2 h TYR 182 Ca 0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2wm2 h TYR 182 Cb 0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 2wm2 h TYR 182 CO 0.00 0.13 0.64 0.22 -1.64 0.00 0.00 178.16 177.51 2wm2 h ASP 183 N 0.00 1.08 0.04 -2.11 3.58 -1.99 0.11 116.42 117.14 2wm2 h ASP 183 Ca -0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2wm2 h ASP 183 Cb 0.43 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2wm2 h ASP 183 CO 0.02 0.75 -0.02 0.00 -2.88 0.00 0.00 179.24 177.11 2wm2 h TRP 185 N -0.97 1.18 -0.56 0.00 4.06 -1.40 0.14 115.95 118.39 2wm2 h TRP 185 Ca -0.01 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 2wm2 h TRP 185 Cb 0.52 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 2wm2 h TRP 185 CO 0.13 0.89 0.26 0.78 -3.56 0.00 0.00 178.44 176.94 2wm2 h GLY 186 N 1.15 0.88 0.99 1.49 0.00 -0.89 -2.24 103.07 104.45 2wm2 h GLY 186 Ca 0.26 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wm2 h GLY 186 CO -0.02 0.42 0.30 -0.09 0.00 0.00 0.00 176.54 177.14 2wm2 h ARG 187 N 0.76 0.67 -0.61 4.80 2.43 -1.27 -2.16 114.38 119.02 2wm2 h ARG 187 Ca 0.19 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2wm2 h ARG 187 Cb 0.13 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2wm2 h ARG 187 CO -0.02 0.50 0.27 0.66 -1.51 0.00 0.00 179.97 179.86 2wm2 h SER 188 N 0.66 0.81 -0.51 -3.80 4.64 -0.69 -0.36 113.55 114.31 2wm2 h SER 188 Ca 0.18 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2wm2 h SER 188 Cb -0.00 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2wm2 h SER 188 CO -0.03 0.73 0.28 1.23 -0.87 0.00 0.00 176.83 178.17 2wm2 h GLY 189 N 0.83 0.72 1.02 -0.77 0.00 -1.24 -0.92 103.07 102.72 2wm2 h GLY 189 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2wm2 h GLY 189 CO -0.02 0.15 -0.43 3.21 0.00 0.00 0.00 176.54 179.45 2wm2 h ARG 190 N 0.55 0.74 -0.17 4.80 3.08 -1.10 -2.47 114.38 119.82 2wm2 h ARG 190 Ca 0.21 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2wm2 h ARG 190 Cb 0.08 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wm2 h ARG 190 CO -0.12 1.08 -0.07 0.28 -1.07 0.00 0.00 179.97 180.06 2wm2 h VAL 191 N 0.47 1.31 -0.16 2.04 2.07 -1.01 -1.84 116.25 119.13 2wm2 h VAL 191 Ca 0.02 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2wm2 h VAL 191 Cb 1.03 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2wm2 h VAL 191 CO 0.10 0.33 0.10 0.40 0.02 0.00 0.00 177.57 178.51 2wm2 h ILE 192 N 0.03 1.06 -0.79 4.57 2.04 -1.24 0.26 117.51 123.43 2wm2 h ILE 192 Ca 0.04 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wm2 h ILE 192 Cb 0.54 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2wm2 h ILE 192 CO 0.02 0.05 0.49 -0.08 0.00 0.00 0.00 178.15 178.63 2wm2 h GLU 193 N 0.19 1.07 -0.20 2.37 4.81 -1.47 -1.31 114.58 120.05 2wm2 h GLU 193 Ca 0.06 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2wm2 h GLU 193 Cb 0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2wm2 h GLU 193 CO -0.01 0.75 -0.20 0.22 -0.73 0.00 0.00 179.01 179.04 2wm2 h ASP 194 N 1.08 0.34 -0.36 1.04 3.58 -1.12 -2.26 116.42 118.74 2wm2 h ASP 194 Ca 0.29 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 2wm2 h ASP 194 Cb -0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2wm2 h ASP 194 CO -0.05 0.56 -0.05 0.00 -2.88 0.00 0.00 179.24 176.81 2wm2 h ALA 195 N 1.48 0.49 0.29 -0.78 0.00 0.57 -2.19 119.26 119.11 2wm2 h ALA 195 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2wm2 h ALA 195 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wm2 h ALA 195 CO 0.04 0.30 -0.14 1.88 0.00 0.00 0.00 179.25 181.33 2wm2 h TYR 196 N 0.46 -0.36 -0.83 0.00 -1.99 -1.28 -2.20 116.97 110.77 2wm2 h TYR 196 Ca 0.09 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.95 2wm2 h TYR 196 Cb 0.54 0.12 -0.06 0.00 2.00 0.00 0.00 36.73 39.33 2wm2 h TYR 196 CO 0.05 -0.08 0.54 0.78 -0.00 0.00 0.00 178.16 179.45 2wm2 h GLY 197 N -0.61 1.04 0.35 3.88 0.00 -1.41 1.25 103.07 107.58 2wm2 h GLY 197 Ca -0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2wm2 h GLY 197 CO 0.07 0.10 -1.87 -0.96 0.00 0.00 0.00 176.54 173.87 2wm2 n ARG 198 N -4.53 0.65 -0.02 4.80 1.85 -0.83 -4.17 116.66 114.42 2wm2 n ARG 198 Ca 0.16 -0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.07 2wm2 n ARG 198 Cb 0.45 -1.62 0.06 0.00 -1.05 0.00 0.00 32.46 30.30 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 -2.61 2.18 0.00 2.89 5.03 -0.83 -5.02 115.26 116.90 2wm2 n ASN 199 Ca -0.14 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.73 2wm2 n ASN 199 Cb 0.81 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.55 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 0.74 1.34 3.64 7.41 0.00 0.43 -3.96 105.19 114.78 2wm2 n GLY 200 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.24 1.61 1.04 -1.25 -4.57 113.70 110.50 2wm2 s SER 201 Ca 0.00 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 2wm2 s SER 201 Cb 0.00 0.45 0.41 0.00 0.10 0.00 0.00 66.02 66.98 2wm2 s SER 201 CO 0.00 -0.78 1.78 -0.65 0.98 0.00 0.00 173.24 174.56 2wm2 h PRO 202 N 2.00 0.61 -0.31 4.02 0.11 -1.84 -0.13 132.00 136.46 2wm2 h PRO 202 Ca -0.24 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.85 2wm2 h PRO 202 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2wm2 h PRO 202 CO 0.28 0.40 0.20 0.52 -0.21 0.00 0.00 178.00 179.19 2wm2 h MET 203 N 0.63 0.39 -0.32 1.05 2.86 -1.93 0.89 114.93 118.50 2wm2 h MET 203 Ca 0.39 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.03 2wm2 h MET 203 Cb 0.46 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2wm2 h MET 203 CO -0.30 0.26 0.17 1.96 1.06 0.00 0.00 176.91 180.06 2wm2 h GLN 204 N 0.40 0.35 -0.32 1.72 1.08 -1.73 -1.30 115.11 115.31 2wm2 h GLN 204 Ca 0.12 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2wm2 h GLN 204 Cb -0.03 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2wm2 h GLN 204 CO -0.04 0.23 0.16 1.98 -0.95 0.00 0.00 178.83 180.21 2wm2 h MET 205 N 0.36 0.46 -0.54 1.46 4.05 -0.63 -0.90 114.93 119.18 2wm2 h MET 205 Ca 0.13 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 2wm2 h MET 205 Cb 0.02 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2wm2 h MET 205 CO -0.07 0.41 0.03 0.52 0.23 0.00 0.00 176.91 178.04 2wm2 h MET 206 N 0.39 0.90 0.00 0.39 2.86 -0.73 -2.64 114.93 116.09 2wm2 h MET 206 Ca 0.11 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2wm2 h MET 206 Cb 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2wm2 h MET 206 CO -0.02 0.87 -0.36 0.00 1.06 0.00 0.00 176.91 178.46 2wm2 h ALA 207 N 1.19 1.07 -0.14 6.32 0.00 -0.94 -3.09 119.26 123.67 2wm2 h ALA 207 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wm2 h ALA 207 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wm2 h ALA 207 CO 0.02 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.81 2wm2 n ASN 208 N -3.63 1.14 -4.77 0.00 3.02 -0.37 -4.91 115.26 105.74 2wm2 n ASN 208 Ca -0.01 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 2wm2 n ASN 208 Cb 0.47 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.42 4.33 0.13 3.41 1.43 -1.17 -4.91 118.68 120.48 2wm2 s LEU 209 Ca 0.27 3.01 -0.23 0.00 -1.03 0.00 0.00 54.13 56.15 2wm2 s LEU 209 Cb 0.14 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2wm2 s LEU 209 CO 0.21 -0.89 1.67 0.74 0.23 0.00 0.00 176.35 178.30 2wm2 h THR 210 N 3.17 0.58 -3.47 5.49 2.02 -1.93 -3.35 112.91 115.42 2wm2 h THR 210 Ca -0.49 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 65.99 2wm2 h THR 210 Cb 1.23 0.58 -0.34 0.00 -1.74 0.00 0.00 68.15 67.88 2wm2 h THR 210 CO 0.71 0.00 -0.52 -0.54 0.37 0.00 0.00 175.52 175.54 2wm2 s LYS 211 N -6.14 2.09 0.58 6.66 -0.14 -1.26 -5.10 119.74 116.43 2wm2 s LYS 211 Ca -0.14 -1.88 -0.18 0.00 -1.36 0.00 0.00 55.97 52.41 2wm2 s LYS 211 Cb 0.10 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 2wm2 s LYS 211 CO 0.67 -1.09 1.11 0.95 -0.76 0.00 0.00 175.35 176.23 2wm2 s THR 212 N 1.06 3.33 0.13 2.17 -4.23 -1.26 -4.90 115.64 111.94 2wm2 s THR 212 Ca 0.09 0.73 -0.25 0.00 -1.18 0.00 0.00 61.69 61.08 2wm2 s THR 212 Cb -0.23 -3.25 0.07 0.00 1.34 0.00 0.00 72.50 70.42 2wm2 s THR 212 CO -0.04 -0.27 0.86 0.00 -0.54 0.00 0.00 174.62 174.63 2wm2 s ARG 213 N -3.64 1.20 -0.15 3.99 1.70 -1.26 -5.10 118.95 115.69 2wm2 s ARG 213 Ca 0.69 -0.59 -0.36 0.00 -0.47 0.00 0.00 55.73 55.00 2wm2 s ARG 213 Cb -0.21 0.45 -0.13 0.00 -0.57 0.00 0.00 34.95 34.49 2wm2 s ARG 213 CO 0.32 -0.54 1.84 -2.30 -1.08 0.00 0.00 175.30 173.54 2wm2 n PRO 214 N -0.40 1.84 -4.58 3.89 -0.02 -1.26 -4.78 135.00 129.68 2wm2 n PRO 214 Ca -0.08 0.67 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 2wm2 n PRO 214 Cb 0.61 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.88 1.03 -0.05 4.25 1.01 -0.78 -2.24 121.20 128.32 2wm2 s ILE 215 Ca 0.95 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 61.07 2wm2 s ILE 215 Cb -0.82 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2wm2 s ILE 215 CO 0.56 0.28 -0.21 -0.60 0.00 0.00 0.00 174.94 174.97 2wm2 s ARG 216 N -0.35 2.09 -0.42 2.79 3.52 -0.85 -1.80 118.95 123.93 2wm2 s ARG 216 Ca 0.05 -0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 54.79 2wm2 s ARG 216 Cb -0.05 -1.81 0.06 0.00 -1.56 0.00 0.00 34.95 31.59 2wm2 s ARG 216 CO -0.00 0.31 0.29 -1.58 -0.81 0.00 0.00 175.30 173.51 2wm2 s HIS 217 N -0.08 3.28 -0.22 5.12 5.65 0.19 -1.76 115.29 127.47 2wm2 s HIS 217 Ca -0.03 -1.14 -0.08 0.00 0.25 0.00 0.00 55.06 54.06 2wm2 s HIS 217 Cb -0.12 -2.88 -0.04 0.00 -1.18 0.00 0.00 32.58 28.36 2wm2 s HIS 217 CO 0.03 -0.77 0.09 0.96 -0.65 0.00 0.00 174.74 174.40 2wm2 s ILE 218 N 1.54 4.78 0.09 0.89 -4.36 -0.70 -1.55 121.20 121.89 2wm2 s ILE 218 Ca 0.03 -0.03 -0.10 0.00 -0.26 0.00 0.00 60.65 60.29 2wm2 s ILE 218 Cb -0.22 -3.20 0.01 0.00 1.25 0.00 0.00 42.46 40.29 2wm2 s ILE 218 CO 0.05 0.39 0.24 0.72 0.24 0.00 0.00 174.94 176.58 2wm2 s PHE 219 N 0.96 0.06 -0.08 1.37 -0.71 -0.71 -0.90 117.98 117.98 2wm2 s PHE 219 Ca 0.05 -0.45 0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2wm2 s PHE 219 Cb -0.14 0.02 -0.06 0.00 -1.21 0.00 0.00 43.02 41.63 2wm2 s PHE 219 CO 0.03 -0.57 0.13 0.43 -1.34 0.00 0.00 175.22 173.89 2wm2 n SER 220 N -0.05 2.51 -3.83 1.98 7.64 -1.26 -0.98 113.62 119.63 2wm2 n SER 220 Ca -0.16 -0.24 -0.10 0.00 1.01 0.00 0.00 58.87 59.39 2wm2 n SER 220 Cb 0.62 1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 64.88 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 -1.93 1.10 0.56 1.43 -2.07 -1.26 -4.42 119.66 113.06 2wm2 s GLN 221 Ca -0.00 -0.98 -0.20 0.00 -1.82 0.00 0.00 55.36 52.36 2wm2 s GLN 221 Cb 0.03 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 2wm2 s GLN 221 CO 0.17 -0.41 0.94 -2.30 -1.32 0.00 0.00 175.29 172.37 2wm2 n PRO 222 N -0.20 1.00 -0.02 9.60 -0.02 -1.26 -4.77 135.00 139.33 2wm2 n PRO 222 Ca -0.11 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 2wm2 n PRO 222 Cb 0.63 -2.11 0.47 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.42 0.04 -2.60 3.45 -2.24 -1.26 -4.83 114.28 105.42 2wm2 n THR 223 Ca 0.12 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 2wm2 n THR 223 Cb 0.45 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.96 4.07 0.51 -0.78 8.01 -1.26 -4.97 118.70 122.32 2wm2 s GLU 224 Ca 0.36 1.02 0.15 0.00 0.01 0.00 0.00 54.97 56.52 2wm2 s GLU 224 Cb 0.20 -2.16 1.23 0.00 -4.31 0.00 0.00 34.13 29.09 2wm2 s GLU 224 CO 0.32 -0.16 2.13 -1.35 0.01 0.00 0.00 175.26 176.22 2wm2 h PRO 225 N 1.38 0.07 -0.41 0.39 0.11 -2.01 -2.88 132.00 128.64 2wm2 h PRO 225 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2wm2 h PRO 225 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2wm2 h PRO 225 CO 0.61 0.04 0.13 0.93 -0.21 0.00 0.00 178.00 179.51 2wm2 h GLU 226 N 0.07 0.60 0.18 1.05 3.07 -1.98 -2.81 114.58 114.75 2wm2 h GLU 226 Ca 0.03 -0.09 -0.30 0.00 -0.50 0.00 0.00 59.36 58.50 2wm2 h GLU 226 Cb 0.04 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2wm2 h GLU 226 CO -0.00 0.52 -1.34 -0.92 -1.40 0.00 0.00 179.01 175.86 2wm2 h TYR 227 N 0.59 0.73 -0.90 4.33 3.20 -1.86 -3.00 116.97 120.06 2wm2 h TYR 227 Ca 0.14 -0.53 0.08 0.00 3.14 0.00 0.00 58.73 61.56 2wm2 h TYR 227 Cb 0.17 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 2wm2 h TYR 227 CO 0.01 1.41 0.58 1.49 -1.64 0.00 0.00 178.16 180.01 2wm2 h GLU 228 N 0.12 0.94 -0.35 1.82 4.81 -1.53 -2.95 114.58 117.44 2wm2 h GLU 228 Ca -0.19 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2wm2 h GLU 228 Cb 2.05 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 31.20 2wm2 h GLU 228 CO 0.24 0.62 0.15 -0.22 -0.73 0.00 0.00 179.01 179.07 2wm2 h LYS 229 N 0.97 0.51 -0.60 1.92 3.64 -1.35 0.27 116.57 121.92 2wm2 h LYS 229 Ca 0.40 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2wm2 h LYS 229 Cb 0.29 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2wm2 h LYS 229 CO -0.16 0.49 0.32 -0.84 -2.27 0.00 0.00 179.45 176.99 2wm2 h ILE 230 N 0.42 1.19 -0.23 2.00 3.07 -1.50 0.31 117.51 122.78 2wm2 h ILE 230 Ca 0.12 -0.47 -0.03 0.00 1.55 0.00 0.00 64.86 66.03 2wm2 h ILE 230 Cb 0.16 0.38 -0.01 0.00 -0.27 0.00 0.00 36.82 37.08 2wm2 h ILE 230 CO -0.01 0.21 0.04 0.78 -1.05 0.00 0.00 178.15 178.11 2wm2 h ASN 231 N 0.83 0.36 0.40 2.16 2.35 -1.20 -0.80 115.58 119.68 2wm2 h ASN 231 Ca 0.21 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 2wm2 h ASN 231 Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wm2 h ASN 231 CO -0.03 0.52 -0.55 0.77 -1.65 0.00 0.00 177.43 176.49 2wm2 h SER 232 N 0.18 0.18 -0.41 5.81 4.64 -0.17 -1.27 113.55 122.51 2wm2 h SER 232 Ca 0.07 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 2wm2 h SER 232 Cb 0.31 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2wm2 h SER 232 CO 0.00 0.70 -0.22 0.44 -0.87 0.00 0.00 176.83 176.88 2wm2 h ASP 233 N 0.13 0.90 -0.43 4.97 3.32 -0.32 0.96 116.42 125.94 2wm2 h ASP 233 Ca -0.00 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 2wm2 h ASP 233 Cb 1.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2wm2 h ASP 233 CO 0.08 1.12 -0.00 0.15 -1.72 0.00 0.00 179.24 178.86 2wm2 h PHE 234 N 0.69 0.90 -0.22 4.55 3.04 -1.14 -2.30 116.94 122.46 2wm2 h PHE 234 Ca 0.09 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 2wm2 h PHE 234 Cb 0.79 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 2wm2 h PHE 234 CO 0.06 0.82 0.06 0.00 -2.02 0.00 0.00 178.31 177.24 2wm2 h ALA 235 N 1.21 0.29 -0.37 2.41 0.00 -1.00 -1.12 119.26 120.67 2wm2 h ALA 235 Ca 0.15 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wm2 h ALA 235 Cb 0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wm2 h ALA 235 CO 0.02 -0.08 -0.11 0.93 0.00 0.00 0.00 179.25 180.01 2wm2 h GLU 236 N 0.18 -0.03 0.00 0.00 5.08 -0.69 -2.83 114.58 116.28 2wm2 h GLU 236 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2wm2 h GLU 236 Cb 0.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2wm2 h GLU 236 CO -0.00 -0.02 -0.52 0.37 -1.00 0.00 0.00 179.01 177.84 2wm2 h GLN 237 N -0.03 0.00 -4.64 2.33 4.15 -1.28 -3.42 115.11 112.22 2wm2 h GLN 237 Ca 0.18 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.96 2wm2 h GLN 237 Cb 0.30 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 27.62 2wm2 h GLN 237 CO -0.40 0.52 -0.80 -1.01 -1.93 0.00 0.00 178.83 175.21 2wm2 s HIS 238 N -3.63 2.81 0.37 3.99 3.76 -0.44 -5.01 115.29 117.14 2wm2 s HIS 238 Ca -0.01 -1.99 0.12 0.00 -0.15 0.00 0.00 55.06 53.03 2wm2 s HIS 238 Cb 0.12 -1.76 0.90 0.00 1.11 0.00 0.00 32.58 32.96 2wm2 s HIS 238 CO 0.73 -0.82 1.84 -1.35 -0.85 0.00 0.00 174.74 174.29 2wm2 h PRO 239 N 7.87 0.58 0.00 8.40 0.11 -1.83 -2.01 132.00 145.13 2wm2 h PRO 239 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2wm2 h PRO 239 Cb 1.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wm2 h PRO 239 CO 0.45 0.38 0.00 0.11 -0.21 0.00 0.00 178.00 178.73 2wm2 h TRP 240 N 0.60 0.00 -3.27 0.65 5.08 -1.90 -3.45 115.95 113.66 2wm2 h TRP 240 Ca 0.49 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.89 2wm2 h TRP 240 Cb 0.95 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.05 2wm2 h TRP 240 CO -0.00 0.00 -0.07 0.12 -1.28 0.00 0.00 178.44 177.21 2wm2 s PHE 241 N -3.33 3.65 0.23 0.12 5.36 -0.76 -1.86 117.98 121.40 2wm2 s PHE 241 Ca 0.06 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 2wm2 s PHE 241 Cb 0.07 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 2wm2 s PHE 241 CO 0.61 0.36 0.14 -1.54 -1.46 0.00 0.00 175.22 173.32 2wm2 s SER 242 N -0.15 0.65 0.14 6.13 1.04 -0.74 -4.70 113.70 116.06 2wm2 s SER 242 Ca 0.29 -1.43 -0.15 0.00 0.48 0.00 0.00 55.95 55.13 2wm2 s SER 242 Cb -0.17 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2wm2 s SER 242 CO 0.15 -0.84 0.40 -0.72 0.98 0.00 0.00 173.24 173.22 2wm2 s TYR 243 N -3.96 -0.13 -0.03 5.02 1.13 -1.26 -0.63 117.35 117.49 2wm2 s TYR 243 Ca 0.39 -0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 55.84 2wm2 s TYR 243 Cb 0.07 0.24 0.03 0.00 -1.10 0.00 0.00 41.96 41.20 2wm2 s TYR 243 CO 0.14 -0.73 0.04 0.00 -2.51 0.00 0.00 175.55 172.49 2wm2 s ALA 244 N -3.83 0.14 -0.30 9.51 0.00 -0.59 -4.90 121.76 121.78 2wm2 s ALA 244 Ca 0.05 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 2wm2 s ALA 244 Cb 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2wm2 s ALA 244 CO -0.10 -0.26 0.92 0.21 0.00 0.00 0.00 175.76 176.53 2wm2 s LYS 245 N 1.52 4.03 0.00 0.00 2.20 -1.26 -1.74 119.74 124.48 2wm2 s LYS 245 Ca -0.03 0.84 0.23 0.00 -0.36 0.00 0.00 55.97 56.65 2wm2 s LYS 245 Cb -0.13 -3.72 0.18 0.00 -1.51 0.00 0.00 37.83 32.65 2wm2 s LYS 245 CO -0.03 -0.76 1.19 1.28 -0.36 0.00 0.00 175.35 176.67 2wm2 n LEU 246 N 6.47 0.71 -1.53 5.43 4.77 -0.15 -4.97 117.00 127.72 2wm2 n LEU 246 Ca 0.08 -0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 2wm2 n LEU 246 Cb 0.48 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 2wm2 n LEU 246 CO 0.54 0.17 -0.19 0.61 -1.33 0.00 0.00 177.39 177.19 2wm2 n GLY 247 N 1.49 1.88 3.85 -0.72 0.00 -1.26 -4.97 105.19 105.46 2wm2 n GLY 247 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 1.64 0.16 -0.02 0.00 -1.26 -4.99 107.32 100.14 2wm2 s GLY 248 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 2wm2 s GLY 248 CO 0.00 0.16 1.62 -0.56 0.00 0.00 0.00 173.10 174.33 2wm2 h PRO 249 N -0.71 0.96 0.00 2.90 0.13 -1.92 -3.46 132.00 129.90 2wm2 h PRO 249 Ca -0.45 -0.30 -0.60 0.00 -0.87 0.00 0.00 66.00 63.78 2wm2 h PRO 249 Cb 1.24 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 2wm2 h PRO 249 CO 0.61 0.96 -0.43 0.25 -0.23 0.00 0.00 178.00 179.16 2wm2 n THR 250 N -4.28 0.00 0.62 1.56 -2.24 -1.26 -4.69 114.28 103.99 2wm2 n THR 250 Ca 0.02 -2.20 0.06 0.00 -2.27 0.00 0.00 64.05 59.66 2wm2 n THR 250 Cb 0.32 0.42 0.32 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.19 0.00 -3.61 4.78 -0.00 -0.30 -4.41 115.22 110.49 2wm2 n HIS 251 Ca -0.19 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.26 2wm2 n HIS 251 Cb 0.59 -0.23 -0.10 0.00 -0.00 0.00 0.00 29.99 30.25 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 -1.23 3.14 0.28 1.57 3.01 -1.26 -4.85 117.46 118.11 2wm2 n PHE 252 Ca 0.07 -4.17 0.12 0.00 1.01 0.00 0.00 57.45 54.48 2wm2 n PHE 252 Cb 0.09 -0.55 0.78 0.00 -0.01 0.00 0.00 39.48 39.79 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 4.73 0.00 -0.30 -1.08 0.13 -1.94 -0.80 132.00 132.74 2wm2 h PRO 253 Ca 0.18 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.38 2wm2 h PRO 253 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2wm2 h PRO 253 CO 0.75 0.04 0.21 0.00 -0.23 0.00 0.00 178.00 178.78 2wm2 h ALA 254 N 1.96 2.21 0.00 -0.56 0.00 -1.88 -2.43 119.26 118.55 2wm2 h ALA 254 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2wm2 h ALA 254 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wm2 h ALA 254 CO 0.01 -0.29 -1.58 -0.89 0.00 0.00 0.00 179.25 176.50 2wm2 n ILE 255 N -4.46 1.52 0.35 0.00 5.41 -0.37 -3.79 119.36 118.02 2wm2 n ILE 255 Ca 0.04 -0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.80 2wm2 n ILE 255 Cb 0.34 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.19 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 -4.40 0.57 -2.98 4.38 5.68 -0.84 -4.25 116.55 114.72 2wm2 n ASP 256 Ca -0.35 -0.03 -0.17 0.00 -0.50 0.00 0.00 54.79 53.73 2wm2 n ASP 256 Cb 0.68 0.91 -0.01 0.00 -1.14 0.00 0.00 41.12 41.56 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 -2.20 0.69 -0.17 2.12 0.24 -0.92 -4.95 118.33 113.14 2wm2 n VAL 257 Ca 0.00 -4.33 -0.08 0.00 -2.04 0.00 0.00 64.34 57.89 2wm2 n VAL 257 Cb 0.49 -0.22 0.01 0.00 -1.47 0.00 0.00 33.84 32.65 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 2.97 0.71 -1.00 7.34 0.13 -1.72 -2.17 132.00 138.27 2wm2 h PRO 258 Ca 0.06 -0.11 0.20 0.00 -0.87 0.00 0.00 66.00 65.28 2wm2 h PRO 258 Cb 0.96 -0.12 -0.11 0.00 0.13 0.00 0.00 31.00 31.86 2wm2 h PRO 258 CO 0.56 0.61 0.61 0.38 -0.23 0.00 0.00 178.00 179.94 2wm2 h ASP 259 N 0.64 0.75 -0.19 1.44 2.03 -1.91 0.09 116.42 119.28 2wm2 h ASP 259 Ca 0.17 0.10 -0.17 0.00 -0.73 0.00 0.00 57.03 56.39 2wm2 h ASP 259 Cb 0.15 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 2wm2 h ASP 259 CO -0.02 0.25 -0.54 0.03 -1.03 0.00 0.00 179.24 177.93 2wm2 h ARG 260 N 0.73 0.70 -0.56 4.15 2.47 -1.80 -2.56 114.38 117.51 2wm2 h ARG 260 Ca 0.58 -0.50 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2wm2 h ARG 260 Cb 0.95 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.32 2wm2 h ARG 260 CO -0.38 1.12 0.34 0.00 0.56 0.00 0.00 179.97 181.62 2wm2 h ALA 261 N 0.58 0.72 -0.61 0.04 0.00 -0.68 -2.39 119.26 116.92 2wm2 h ALA 261 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wm2 h ALA 261 Cb 1.16 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2wm2 h ALA 261 CO 0.12 0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.72 2wm2 h ALA 262 N 1.24 0.80 -0.78 0.00 0.00 -1.01 -2.21 119.26 117.30 2wm2 h ALA 262 Ca 0.22 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2wm2 h ALA 262 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2wm2 h ALA 262 CO -0.09 -0.11 0.51 0.28 0.00 0.00 0.00 179.25 179.84 2wm2 h VAL 263 N 0.50 0.97 0.00 0.00 2.07 -0.99 0.30 116.25 119.10 2wm2 h VAL 263 Ca 0.29 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 2wm2 h VAL 263 Cb 0.29 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2wm2 h VAL 263 CO -0.24 0.14 -0.84 0.45 0.02 0.00 0.00 177.57 177.09 2wm2 h HIS 264 N 0.75 0.00 0.09 1.57 3.86 -1.39 -2.70 115.15 117.33 2wm2 h HIS 264 Ca 0.35 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2wm2 h HIS 264 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2wm2 h HIS 264 CO -0.00 0.70 -0.04 0.82 0.86 0.00 0.00 177.93 180.26 2wm2 h ILE 265 N 0.00 1.16 -0.90 2.45 2.04 -0.61 -2.93 117.51 118.72 2wm2 h ILE 265 Ca -0.04 -1.08 0.14 0.00 1.00 0.00 0.00 64.86 64.88 2wm2 h ILE 265 Cb 1.57 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 39.39 2wm2 h ILE 265 CO 0.08 0.26 0.51 0.03 0.00 0.00 0.00 178.15 179.03 2wm2 h ARG 266 N -0.63 0.72 -0.35 2.37 3.08 -0.54 0.16 114.38 119.19 2wm2 h ARG 266 Ca -0.01 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.02 2wm2 h ARG 266 Cb 0.51 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2wm2 h ARG 266 CO 0.02 0.47 0.16 1.49 -1.07 0.00 0.00 179.97 181.04 2wm2 h GLU 267 N 0.74 0.33 -0.29 0.04 4.81 -1.50 0.15 114.58 118.86 2wm2 h GLU 267 Ca 0.48 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.63 2wm2 h GLU 267 Cb 0.64 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2wm2 h GLU 267 CO -0.34 0.22 -0.06 0.74 -0.73 0.00 0.00 179.01 178.84 2wm2 h PHE 268 N 0.34 0.62 -0.70 0.92 -1.00 -1.02 -1.19 116.94 114.90 2wm2 h PHE 268 Ca 0.15 -0.13 0.08 0.00 2.81 0.00 0.00 57.97 60.88 2wm2 h PHE 268 Cb 0.07 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.42 2wm2 h PHE 268 CO -0.11 0.74 0.37 0.00 -1.61 0.00 0.00 178.31 177.70 2wm2 h ALA 269 N 0.79 0.95 -0.06 2.45 0.00 -0.47 -1.17 119.26 121.75 2wm2 h ALA 269 Ca 0.07 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2wm2 h ALA 269 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wm2 h ALA 269 CO 0.03 0.00 -0.47 1.15 0.00 0.00 0.00 179.25 179.96 2wm2 h THR 270 N 0.65 1.34 -0.49 0.00 2.02 -0.87 -1.64 112.91 113.91 2wm2 h THR 270 Ca 0.33 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.74 2wm2 h THR 270 Cb 0.28 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2wm2 h THR 270 CO -0.23 0.48 -0.20 0.00 0.37 0.00 0.00 175.52 175.94 2wm2 h ALA 271 N 1.40 0.69 -0.64 6.16 0.00 -0.49 -2.98 119.26 123.40 2wm2 h ALA 271 Ca 0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2wm2 h ALA 271 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2wm2 h ALA 271 CO 0.07 0.67 0.13 0.82 0.00 0.00 0.00 179.25 180.94 2wm2 h ILE 272 N 0.87 1.26 0.00 0.00 2.04 -1.05 -2.89 117.51 117.73 2wm2 h ILE 272 Ca 0.11 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2wm2 h ILE 272 Cb 0.79 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2wm2 h ILE 272 CO 0.07 0.36 0.00 0.54 0.00 0.00 0.00 178.15 179.12 2wm2 n ARG 273 N -4.29 0.16 -2.23 2.37 1.74 -0.63 -2.24 116.66 111.55 2wm2 n ARG 273 Ca 0.04 0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2wm2 n ARG 273 Cb 0.26 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 2wm2 n ARG 273 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wm2 n GLN 274 N -1.22 3.53 0.00 5.56 6.02 -1.09 -5.08 117.38 125.10 2wm2 n GLN 274 Ca 0.05 -4.32 0.00 0.00 -0.01 0.00 0.00 57.00 52.72 2wm2 n GLN 274 Cb 0.06 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.06 2wm2 n GLN 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46