#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr2 s GLN 6 N 0.00 0.73 -0.03 -1.24 -2.07 -0.94 -1.61 119.66 114.50 2wr2 s GLN 6 Ca 0.00 -1.01 0.03 0.00 -1.82 0.00 0.00 55.36 52.56 2wr2 s GLN 6 Cb 0.00 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2wr2 s GLN 6 CO 0.00 -0.20 -0.11 -1.50 -1.32 0.00 0.00 175.29 172.16 2wr2 s ILE 7 N -3.68 0.95 0.06 3.63 2.07 -0.46 -0.90 121.20 122.88 2wr2 s ILE 7 Ca 0.04 -0.45 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 2wr2 s ILE 7 Cb 0.05 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 2wr2 s ILE 7 CO -0.10 0.29 -0.22 0.00 -1.91 0.00 0.00 174.94 173.00 2wr2 s ILE 9 N -0.90 5.42 0.35 0.00 -1.09 -0.63 -1.76 121.20 122.59 2wr2 s ILE 9 Ca 0.09 0.32 -0.09 0.00 -2.23 0.00 0.00 60.65 58.74 2wr2 s ILE 9 Cb -0.09 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2wr2 s ILE 9 CO 0.03 0.59 0.60 -0.83 -1.23 0.00 0.00 174.94 174.10 2wr2 s GLY 10 N -0.89 0.96 0.10 6.18 0.00 -0.32 -4.82 107.32 108.53 2wr2 s GLY 10 Ca 0.16 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.75 2wr2 s GLY 10 CO 0.05 -0.69 -0.08 -2.52 0.00 0.00 0.00 173.10 169.86 2wr2 s TYR 11 N -2.84 0.97 0.27 1.90 -0.85 -1.26 -1.69 117.35 113.86 2wr2 s TYR 11 Ca 0.24 -0.76 -0.29 0.00 -0.52 0.00 0.00 57.07 55.73 2wr2 s TYR 11 Cb -0.02 -0.54 -0.10 0.00 0.38 0.00 0.00 41.96 41.68 2wr2 s TYR 11 CO 0.16 -0.06 1.28 -1.58 -1.52 0.00 0.00 175.55 173.83 2wr2 s HIS 12 N -2.96 3.21 0.17 -3.49 5.65 0.11 -0.42 115.29 117.55 2wr2 s HIS 12 Ca 0.08 1.38 0.06 0.00 0.25 0.00 0.00 55.06 56.83 2wr2 s HIS 12 Cb 0.01 -3.59 -0.04 0.00 -1.18 0.00 0.00 32.58 27.77 2wr2 s HIS 12 CO -0.02 -1.67 -0.13 0.00 -0.65 0.00 0.00 174.74 172.27 2wr2 s ALA 13 N -0.67 1.72 0.00 1.58 0.00 -0.84 -4.60 121.76 118.96 2wr2 s ALA 13 Ca 0.51 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2wr2 s ALA 13 Cb -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2wr2 s ALA 13 CO 0.45 -0.00 0.00 0.27 0.00 0.00 0.00 175.76 176.48 2wr2 n ASN 14 N -0.22 0.00 -0.97 0.00 6.94 -1.26 -4.05 115.26 115.70 2wr2 n ASN 14 Ca -0.10 -0.13 0.11 0.00 -0.02 0.00 0.00 54.58 54.44 2wr2 n ASN 14 Cb 0.60 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.29 2wr2 n ASN 14 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2wr2 n ASN 15 N -0.26 2.89 -4.65 0.53 3.02 -1.26 -4.80 115.26 110.72 2wr2 n ASN 15 Ca 0.00 -1.92 -0.43 0.00 -0.03 0.00 0.00 54.58 52.20 2wr2 n ASN 15 Cb 0.00 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 2wr2 n ASN 15 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2wr2 n SER 16 N 1.11 2.16 -0.19 6.41 2.88 -1.26 -4.89 113.62 119.83 2wr2 n SER 16 Ca 0.18 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.93 2wr2 n SER 16 Cb 0.51 -1.41 0.03 0.00 -0.75 0.00 0.00 64.21 62.59 2wr2 n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wr2 n THR 17 N 0.24 0.24 -1.99 2.46 -2.24 -1.26 -4.88 114.28 106.85 2wr2 n THR 17 Ca 0.07 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 2wr2 n THR 17 Cb 0.35 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2wr2 n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wr2 s GLU 18 N -0.51 4.26 -0.02 -0.78 2.02 -1.26 -4.91 118.70 117.50 2wr2 s GLU 18 Ca 0.06 2.34 0.05 0.00 0.02 0.00 0.00 54.97 57.44 2wr2 s GLU 18 Cb 0.04 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 2wr2 s GLU 18 CO 0.06 -0.38 -0.15 0.15 0.02 0.00 0.00 175.26 174.96 2wr2 s LYS 19 N -1.15 2.38 0.18 1.61 3.01 -1.26 -1.53 119.74 122.97 2wr2 s LYS 19 Ca 0.55 -0.78 0.03 0.00 -1.01 0.00 0.00 55.97 54.76 2wr2 s LYS 19 Cb -0.42 -2.33 -0.05 0.00 -1.01 0.00 0.00 37.83 34.02 2wr2 s LYS 19 CO 0.50 0.60 -0.04 0.14 0.51 0.00 0.00 175.35 177.06 2wr2 s VAL 20 N -0.81 0.94 0.06 3.17 -7.23 -0.04 -4.92 120.40 111.56 2wr2 s VAL 20 Ca 0.13 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 2wr2 s VAL 20 Cb -0.11 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2wr2 s VAL 20 CO 0.03 -0.54 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.46 2wr2 s ASP 21 N -3.21 5.02 0.36 4.85 1.01 -1.26 -1.10 116.67 122.34 2wr2 s ASP 21 Ca 0.22 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.40 2wr2 s ASP 21 Cb 0.05 -1.23 -0.06 0.00 1.01 0.00 0.00 42.92 42.69 2wr2 s ASP 21 CO 0.04 0.21 0.06 0.42 0.21 0.00 0.00 175.17 176.11 2wr2 s THR 22 N -1.22 1.20 0.33 -1.27 -4.23 0.71 -4.44 115.64 106.73 2wr2 s THR 22 Ca 0.23 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2wr2 s THR 22 Cb -0.12 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.24 2wr2 s THR 22 CO 0.15 0.00 1.96 -0.29 -0.54 0.00 0.00 174.62 175.90 2wr2 h ILE 23 N 1.97 1.18 0.00 2.99 6.09 -1.87 -2.80 117.51 125.07 2wr2 h ILE 23 Ca -0.41 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 2wr2 h ILE 23 Cb 1.25 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.90 2wr2 h ILE 23 CO 0.69 0.20 -1.19 0.18 -3.07 0.00 0.00 178.15 174.96 2wr2 n LEU 24 N -4.39 0.57 -3.90 2.19 4.77 -1.26 -4.98 117.00 109.99 2wr2 n LEU 24 Ca 0.06 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 2wr2 n LEU 24 Cb 0.09 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 2wr2 n LEU 24 CO 0.37 -0.04 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.42 2wr2 s GLU 25 N -3.31 0.09 0.04 3.23 2.02 -1.06 -5.15 118.70 114.56 2wr2 s GLU 25 Ca 0.00 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.84 2wr2 s GLU 25 Cb 0.13 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 2wr2 s GLU 25 CO 0.82 -0.01 0.10 1.03 0.02 0.00 0.00 175.26 177.22 2wr2 s ARG 26 N -0.37 3.07 -1.08 1.61 1.81 -1.26 -0.21 118.95 122.52 2wr2 s ARG 26 Ca -0.04 -0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 53.23 2wr2 s ARG 26 Cb -0.03 -2.84 0.00 0.00 -0.45 0.00 0.00 34.95 31.63 2wr2 s ARG 26 CO -0.00 0.61 0.75 0.09 -0.68 0.00 0.00 175.30 176.06 2wr2 n ASN 27 N 0.74 -5.29 -4.75 0.23 3.02 -1.17 -4.97 115.26 103.07 2wr2 n ASN 27 Ca -0.10 -0.98 -0.37 0.00 -0.03 0.00 0.00 54.58 53.10 2wr2 n ASN 27 Cb 0.52 -3.03 -0.07 0.00 -0.61 0.00 0.00 39.78 36.59 2wr2 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr2 s VAL 28 N -3.37 5.29 -0.06 2.41 1.01 -0.26 -4.87 120.40 120.55 2wr2 s VAL 28 Ca 0.38 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 2wr2 s VAL 28 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wr2 s VAL 28 CO 0.88 0.42 0.85 -0.89 0.00 0.00 0.00 175.10 176.35 2wr2 s THR 29 N 0.22 4.94 0.17 3.92 2.01 -1.26 -0.86 115.64 124.78 2wr2 s THR 29 Ca 0.17 1.74 0.11 0.00 0.31 0.00 0.00 61.69 64.02 2wr2 s THR 29 Cb -0.13 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2wr2 s THR 29 CO 0.05 0.16 -0.23 0.68 -0.69 0.00 0.00 174.62 174.59 2wr2 s VAL 30 N 1.18 2.21 0.27 3.82 -7.23 -0.58 0.22 120.40 120.29 2wr2 s VAL 30 Ca 0.44 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2wr2 s VAL 30 Cb -0.19 -2.02 0.15 0.00 0.56 0.00 0.00 36.38 34.89 2wr2 s VAL 30 CO 0.21 -0.11 1.82 0.71 -0.31 0.00 0.00 175.10 177.42 2wr2 h THR 31 N 3.38 1.23 -3.89 5.32 1.35 -1.39 -3.39 112.91 115.52 2wr2 h THR 31 Ca -0.46 -0.82 -0.13 0.00 -0.55 0.00 0.00 66.41 64.44 2wr2 h THR 31 Cb 1.20 0.64 -0.18 0.00 -1.73 0.00 0.00 68.15 68.08 2wr2 h THR 31 CO 0.46 0.31 -0.58 -1.00 -0.25 0.00 0.00 175.52 174.46 2wr2 s HIS 32 N -5.24 0.25 0.10 4.73 3.76 -1.26 -4.72 115.29 112.91 2wr2 s HIS 32 Ca -0.10 -0.58 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 2wr2 s HIS 32 Cb 0.15 -0.18 0.05 0.00 1.11 0.00 0.00 32.58 33.71 2wr2 s HIS 32 CO 0.80 -0.33 0.50 0.00 -0.85 0.00 0.00 174.74 174.86 2wr2 s ALA 33 N -2.54 -1.25 -0.06 -1.40 0.00 -1.26 -2.19 121.76 113.06 2wr2 s ALA 33 Ca -0.06 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2wr2 s ALA 33 Cb -0.02 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.74 2wr2 s ALA 33 CO -0.04 -0.61 0.12 0.21 0.00 0.00 0.00 175.76 175.44 2wr2 s LYS 34 N -3.19 0.06 -0.14 0.00 2.20 -0.10 -4.87 119.74 113.69 2wr2 s LYS 34 Ca -0.01 0.34 -0.22 0.00 -0.36 0.00 0.00 55.97 55.72 2wr2 s LYS 34 Cb 0.00 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 2wr2 s LYS 34 CO -0.08 -0.18 0.68 0.34 -0.36 0.00 0.00 175.35 175.76 2wr2 s ASP 35 N 1.23 6.84 -0.21 1.43 -1.08 -1.26 -0.88 116.67 122.75 2wr2 s ASP 35 Ca -0.08 1.02 0.15 0.00 -0.52 0.00 0.00 52.55 53.12 2wr2 s ASP 35 Cb -0.12 -2.39 0.69 0.00 -1.46 0.00 0.00 42.92 39.65 2wr2 s ASP 35 CO -0.05 -0.22 1.61 2.30 0.52 0.00 0.00 175.17 179.32 2wr2 n ILE 36 N 4.30 2.52 -3.80 4.11 -5.35 -0.69 -4.87 119.36 115.57 2wr2 n ILE 36 Ca -0.01 -1.60 -0.37 0.00 -0.27 0.00 0.00 62.75 60.51 2wr2 n ILE 36 Cb 0.50 -0.24 -0.13 0.00 -1.74 0.00 0.00 39.64 38.03 2wr2 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr2 s LEU 37 N -2.74 3.65 -0.23 7.28 2.96 -1.26 -3.55 118.68 124.79 2wr2 s LEU 37 Ca 0.49 -0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 2wr2 s LEU 37 Cb 0.38 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 2wr2 s LEU 37 CO 0.13 -0.16 1.38 -0.70 -1.32 0.00 0.00 176.35 175.68 2wr2 s GLU 38 N 1.47 3.99 -0.00 1.98 2.56 0.93 -4.85 118.70 124.78 2wr2 s GLU 38 Ca 0.03 1.51 0.06 0.00 0.00 0.00 0.00 54.97 56.56 2wr2 s GLU 38 Cb -0.17 -3.89 -0.06 0.00 2.00 0.00 0.00 34.13 32.01 2wr2 s GLU 38 CO 0.01 -1.03 0.25 1.63 -0.56 0.00 0.00 175.26 175.56 2wr2 n LYS 39 N 7.19 5.02 -4.18 4.30 5.02 -1.26 -2.97 118.16 131.29 2wr2 n LYS 39 Ca 0.16 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 2wr2 n LYS 39 Cb 0.46 -0.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.61 2wr2 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr2 s THR 40 N -1.56 3.83 0.13 -0.18 -4.23 -1.26 -4.85 115.64 107.51 2wr2 s THR 40 Ca 0.02 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 2wr2 s THR 40 Cb 0.04 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2wr2 s THR 40 CO 0.24 -0.03 0.12 -1.38 -0.54 0.00 0.00 174.62 173.04 2wr2 s HIS 41 N -1.57 0.61 -2.16 3.99 -3.43 -1.26 -4.71 115.29 106.76 2wr2 s HIS 41 Ca 0.27 -1.01 0.30 0.00 -0.80 0.00 0.00 55.06 53.81 2wr2 s HIS 41 Cb -0.10 -0.30 1.56 0.00 -1.43 0.00 0.00 32.58 32.31 2wr2 s HIS 41 CO 0.18 -0.56 2.03 0.27 -2.00 0.00 0.00 174.74 174.66 2wr2 n ASN 42 N -0.10 0.50 -0.99 7.38 0.23 -0.45 -4.89 115.26 116.94 2wr2 n ASN 42 Ca -0.08 -1.20 -0.13 0.00 -0.53 0.00 0.00 54.58 52.64 2wr2 n ASN 42 Cb 0.63 -0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.27 2wr2 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 43 N 1.04 1.35 3.30 4.83 0.00 -1.26 -4.84 105.19 109.61 2wr2 n GLY 43 Ca 0.22 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 2wr2 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr2 s LYS 44 N -3.11 1.21 -0.23 1.61 1.02 -1.26 -4.72 119.74 114.25 2wr2 s LYS 44 Ca 0.00 -1.54 -0.19 0.00 0.02 0.00 0.00 55.97 54.26 2wr2 s LYS 44 Cb 0.00 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 2wr2 s LYS 44 CO 0.00 0.10 0.55 -1.17 -0.92 0.00 0.00 175.35 173.91 2wr2 s LEU 45 N -3.25 4.09 0.34 3.17 2.96 -1.26 -1.90 118.68 122.83 2wr2 s LEU 45 Ca 0.21 0.64 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 2wr2 s LEU 45 Cb 0.02 -2.74 -0.07 0.00 0.50 0.00 0.00 46.19 43.90 2wr2 s LEU 45 CO 0.04 -0.27 -0.03 0.00 -1.32 0.00 0.00 176.35 174.77 2wr2 s ARG 47 N -3.72 4.40 -0.37 0.00 0.52 -0.64 -4.63 118.95 114.51 2wr2 s ARG 47 Ca 0.33 2.09 -0.14 0.00 -0.52 0.00 0.00 55.73 57.50 2wr2 s ARG 47 Cb 0.06 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2wr2 s ARG 47 CO 0.15 -0.19 0.26 -1.17 0.02 0.00 0.00 175.30 174.38 2wr2 s LEU 48 N -0.84 4.78 -1.44 2.53 2.96 0.52 -1.47 118.68 125.73 2wr2 s LEU 48 Ca 0.53 -0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2wr2 s LEU 48 Cb -0.37 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.22 2wr2 s LEU 48 CO 0.44 -0.34 0.66 -1.20 -1.32 0.00 0.00 176.35 174.58 2wr2 n SER 49 N 5.12 -1.80 0.00 3.68 7.64 -0.79 -1.95 113.62 125.53 2wr2 n SER 49 Ca -0.12 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2wr2 n SER 49 Cb 0.48 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 2wr2 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr2 n GLY 50 N -1.73 3.07 3.77 0.23 0.00 -1.26 -5.01 105.19 104.25 2wr2 n GLY 50 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2wr2 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr2 s ILE 51 N -1.71 5.41 0.58 -0.61 -1.09 -0.82 -4.97 121.20 117.98 2wr2 s ILE 51 Ca 0.00 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.45 2wr2 s ILE 51 Cb 0.00 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 2wr2 s ILE 51 CO 0.00 0.49 1.03 -2.84 -1.23 0.00 0.00 174.94 172.39 2wr2 s PRO 52 N -0.01 3.51 0.64 2.79 0.02 -1.26 -0.35 135.00 140.33 2wr2 s PRO 52 Ca 0.10 1.07 -0.11 0.00 0.02 0.00 0.00 61.00 62.08 2wr2 s PRO 52 Cb -0.11 -2.07 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 2wr2 s PRO 52 CO -0.00 -0.64 1.04 -1.25 -0.33 0.00 0.00 177.00 175.81 2wr2 s PRO 53 N -4.23 3.33 -0.15 5.54 0.04 -1.26 -1.67 135.00 136.59 2wr2 s PRO 53 Ca 0.61 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 2wr2 s PRO 53 Cb -0.13 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2wr2 s PRO 53 CO 0.38 -0.71 0.74 -1.17 0.04 0.00 0.00 177.00 176.28 2wr2 s LEU 54 N -5.21 4.20 -0.34 -3.56 2.96 0.24 -4.90 118.68 112.07 2wr2 s LEU 54 Ca 0.56 1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 55.44 2wr2 s LEU 54 Cb -0.11 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 2wr2 s LEU 54 CO 0.53 -0.29 0.21 -1.61 -1.32 0.00 0.00 176.35 173.86 2wr2 s GLU 55 N 1.73 3.30 -0.02 1.98 2.02 -1.26 -0.40 118.70 126.05 2wr2 s GLU 55 Ca 0.36 -0.76 0.18 0.00 0.02 0.00 0.00 54.97 54.76 2wr2 s GLU 55 Cb -0.17 -3.71 -0.26 0.00 0.10 0.00 0.00 34.13 30.09 2wr2 s GLU 55 CO 0.13 -0.49 0.43 1.28 0.02 0.00 0.00 175.26 176.63 2wr2 n LEU 56 N 5.05 0.10 0.00 1.80 4.77 -0.37 -4.99 117.00 123.35 2wr2 n LEU 56 Ca -0.13 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2wr2 n LEU 56 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wr2 n LEU 56 CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2wr2 n GLY 57 N 1.49 2.51 1.44 -0.72 0.00 -1.24 -1.80 105.19 106.87 2wr2 n GLY 57 Ca -0.02 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2wr2 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr2 n ASP 58 N 10.38 4.24 -4.83 1.61 5.68 -1.26 -0.72 116.55 131.65 2wr2 n ASP 58 Ca 0.00 -2.24 -0.35 0.00 -0.50 0.00 0.00 54.79 51.71 2wr2 n ASP 58 Cb 0.00 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.39 2wr2 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr2 s SER 60 N -1.42 6.35 0.32 0.00 1.04 0.28 -4.82 113.70 115.45 2wr2 s SER 60 Ca 0.20 1.07 0.05 0.00 0.48 0.00 0.00 55.95 57.74 2wr2 s SER 60 Cb -0.12 -2.31 0.67 0.00 0.10 0.00 0.00 66.02 64.36 2wr2 s SER 60 CO 0.10 -0.56 1.86 0.40 0.98 0.00 0.00 173.24 176.02 2wr2 h ILE 61 N 0.44 0.89 -0.07 -1.02 2.04 -1.99 0.05 117.51 117.86 2wr2 h ILE 61 Ca -0.47 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2wr2 h ILE 61 Cb 1.20 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2wr2 h ILE 61 CO 0.62 0.16 -0.01 0.00 0.00 0.00 0.00 178.15 178.92 2wr2 h ALA 62 N 1.57 0.10 -0.73 1.87 0.00 -1.93 -1.04 119.26 119.09 2wr2 h ALA 62 Ca 0.47 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.34 2wr2 h ALA 62 Cb 0.56 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 2wr2 h ALA 62 CO -0.23 -0.20 0.16 0.78 0.00 0.00 0.00 179.25 179.76 2wr2 h GLY 63 N -0.18 0.98 0.67 0.00 0.00 -1.53 -1.16 103.07 101.85 2wr2 h GLY 63 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wr2 h GLY 63 CO 0.01 -0.20 -0.03 -0.25 0.00 0.00 0.00 176.54 176.06 2wr2 h TRP 64 N 0.25 -0.08 -0.26 5.60 7.01 -0.72 -0.54 115.95 127.20 2wr2 h TRP 64 Ca 0.41 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.34 2wr2 h TRP 64 Cb 0.69 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2wr2 h TRP 64 CO -0.28 0.25 -0.14 -0.07 -2.79 0.00 0.00 178.44 175.42 2wr2 h LEU 65 N -0.43 0.43 0.00 0.65 3.38 -0.90 -2.27 115.31 116.18 2wr2 h LEU 65 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wr2 h LEU 65 Cb 0.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wr2 h LEU 65 CO 0.02 0.60 -0.24 -0.07 0.09 0.00 0.00 178.44 178.83 2wr2 h LEU 66 N 0.41 0.00 -1.00 1.67 3.38 -1.27 -3.45 115.31 115.05 2wr2 h LEU 66 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wr2 h LEU 66 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wr2 h LEU 66 CO 0.03 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2wr2 n GLY 67 N 1.23 0.91 3.56 0.83 0.00 -0.69 -1.67 105.19 109.37 2wr2 n GLY 67 Ca 0.04 -0.60 -0.54 0.00 0.00 0.00 0.00 46.02 44.92 2wr2 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr2 n ASN 68 N 1.13 1.14 -0.34 1.61 2.85 -0.30 -0.43 115.26 120.93 2wr2 n ASN 68 Ca 0.00 1.13 0.19 0.00 -0.11 0.00 0.00 54.58 55.79 2wr2 n ASN 68 Cb 0.45 -1.11 0.41 0.00 1.24 0.00 0.00 39.78 40.78 2wr2 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr2 h PRO 69 N 4.10 0.45 0.00 1.20 0.11 -1.90 0.99 132.00 136.96 2wr2 h PRO 69 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wr2 h PRO 69 Cb 1.36 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wr2 h PRO 69 CO 0.74 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2wr2 n GLU 70 N -4.97 0.26 -0.01 1.05 -0.58 -1.26 -3.62 120.64 111.52 2wr2 n GLU 70 Ca 0.28 0.06 0.04 0.00 -0.42 0.00 0.00 57.16 57.12 2wr2 n GLU 70 Cb 0.82 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.13 2wr2 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr2 h ASP 72 N 0.00 -0.24 0.00 0.00 2.03 -0.97 -2.32 116.42 114.93 2wr2 h ASP 72 Ca -0.01 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2wr2 h ASP 72 Cb 0.42 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2wr2 h ASP 72 CO 0.00 -0.12 0.00 0.54 -1.03 0.00 0.00 179.24 178.63 2wr2 n ARG 73 N -5.21 0.92 -0.60 4.15 5.12 -1.26 -4.43 116.66 115.35 2wr2 n ARG 73 Ca -0.06 0.00 0.46 0.00 -1.93 0.00 0.00 57.85 56.32 2wr2 n ARG 73 Cb 0.13 -1.37 0.72 0.00 -1.16 0.00 0.00 32.46 30.78 2wr2 n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wr2 n LEU 74 N -0.06 0.04 -2.73 0.55 7.94 -0.87 -4.86 117.00 117.01 2wr2 n LEU 74 Ca 0.00 0.98 -0.00 0.00 -1.11 0.00 0.00 56.01 55.88 2wr2 n LEU 74 Cb 0.19 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2wr2 n LEU 74 CO 0.00 -1.01 -0.49 0.00 -1.11 0.00 0.00 177.39 174.79 2wr2 n LEU 75 N -3.92 -7.99 -5.01 -1.96 -0.00 -1.26 -5.03 117.00 91.83 2wr2 n LEU 75 Ca 0.40 1.41 -0.20 0.00 -0.00 0.00 0.00 56.01 57.62 2wr2 n LEU 75 Cb 1.74 -3.34 0.05 0.00 -0.00 0.00 0.00 43.42 41.87 2wr2 n LEU 75 CO 0.35 -3.19 0.33 -0.94 -0.00 0.00 0.00 177.39 173.93 2wr2 s SER 76 N -1.65 5.16 0.32 1.45 1.04 -1.26 -4.98 113.70 113.78 2wr2 s SER 76 Ca 0.01 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.97 2wr2 s SER 76 Cb -0.00 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2wr2 s SER 76 CO 0.78 -1.23 0.46 0.68 0.98 0.00 0.00 173.24 174.91 2wr2 s VAL 77 N -2.67 4.52 -0.93 5.02 -7.23 -1.26 -5.02 120.40 112.84 2wr2 s VAL 77 Ca 0.60 -0.90 0.27 0.00 -1.81 0.00 0.00 61.98 60.14 2wr2 s VAL 77 Cb -0.08 -3.60 0.18 0.00 0.56 0.00 0.00 36.38 33.44 2wr2 s VAL 77 CO 0.38 -0.26 1.73 -0.81 -0.31 0.00 0.00 175.10 175.83 2wr2 n PRO 78 N -1.63 0.06 -3.69 4.82 -0.05 -1.26 -4.82 135.00 128.43 2wr2 n PRO 78 Ca -0.03 0.04 -0.11 0.00 -0.05 0.00 0.00 63.50 63.35 2wr2 n PRO 78 Cb 0.58 -1.56 -0.10 0.00 -0.05 0.00 0.00 33.50 32.36 2wr2 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2wr2 s GLU 79 N -3.03 0.47 0.10 0.54 2.12 -1.26 -1.44 118.70 116.21 2wr2 s GLU 79 Ca 0.12 0.81 -0.05 0.00 0.36 0.00 0.00 54.97 56.22 2wr2 s GLU 79 Cb 0.17 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 2wr2 s GLU 79 CO 0.60 -0.13 0.12 1.67 -0.54 0.00 0.00 175.26 176.97 2wr2 s TRP 80 N 1.15 0.46 -0.03 5.30 -2.14 -1.20 -4.54 118.94 117.94 2wr2 s TRP 80 Ca -0.07 -0.90 0.08 0.00 2.66 0.00 0.00 56.10 57.87 2wr2 s TRP 80 Cb -0.07 -0.25 -0.13 0.00 -3.10 0.00 0.00 33.47 29.93 2wr2 s TRP 80 CO -0.10 -0.53 0.19 -1.13 -2.66 0.00 0.00 176.95 172.71 2wr2 n SER 81 N -0.05 3.00 -3.32 -2.66 3.41 -0.67 -1.65 113.62 111.68 2wr2 n SER 81 Ca -0.11 -0.03 -0.07 0.00 -0.26 0.00 0.00 58.87 58.40 2wr2 n SER 81 Cb 0.62 1.36 0.01 0.00 -0.26 0.00 0.00 64.21 65.94 2wr2 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr2 s TYR 82 N -2.53 0.01 0.04 7.33 -0.85 -1.23 -4.63 117.35 115.49 2wr2 s TYR 82 Ca -0.03 -0.54 0.09 0.00 -0.52 0.00 0.00 57.07 56.06 2wr2 s TYR 82 Cb 0.05 0.76 -0.03 0.00 0.38 0.00 0.00 41.96 43.13 2wr2 s TYR 82 CO 0.34 -1.29 -0.25 0.42 -1.52 0.00 0.00 175.55 173.25 2wr2 s ILE 83 N -2.77 1.99 -0.10 -3.49 1.01 -1.02 -0.60 121.20 116.22 2wr2 s ILE 83 Ca 0.15 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 59.54 2wr2 s ILE 83 Cb -0.04 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2wr2 s ILE 83 CO 0.08 0.34 -0.23 -0.69 0.00 0.00 0.00 174.94 174.45 2wr2 s VAL 84 N -0.78 1.97 0.21 2.92 1.01 0.47 -0.02 120.40 126.18 2wr2 s VAL 84 Ca 0.10 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2wr2 s VAL 84 Cb -0.10 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2wr2 s VAL 84 CO 0.02 0.54 -0.04 -1.61 0.00 0.00 0.00 175.10 174.01 2wr2 s GLU 85 N 0.42 1.27 0.62 2.72 2.02 -0.24 -1.23 118.70 124.28 2wr2 s GLU 85 Ca -0.17 -1.62 -0.14 0.00 0.02 0.00 0.00 54.97 53.06 2wr2 s GLU 85 Cb -0.18 -0.65 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 2wr2 s GLU 85 CO 0.07 -0.04 1.05 0.15 0.02 0.00 0.00 175.26 176.52 2wr2 s LYS 86 N -3.82 3.24 0.14 1.61 1.02 0.10 -1.62 119.74 120.41 2wr2 s LYS 86 Ca 0.25 1.10 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 2wr2 s LYS 86 Cb 0.05 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 2wr2 s LYS 86 CO 0.07 -0.87 1.57 1.49 -0.92 0.00 0.00 175.35 176.69 2wr2 h GLU 87 N 0.09 -0.41 -3.34 1.68 4.57 -1.88 -3.32 114.58 111.97 2wr2 h GLU 87 Ca -0.46 0.03 -0.63 0.00 -1.18 0.00 0.00 59.36 57.12 2wr2 h GLU 87 Cb 1.21 0.09 -0.41 0.00 -0.16 0.00 0.00 28.75 29.49 2wr2 h GLU 87 CO 0.57 -0.27 -0.66 -0.80 -1.18 0.00 0.00 179.01 176.67 2wr2 s ASN 88 N -4.97 4.17 0.25 1.04 0.02 -1.26 -5.09 114.94 109.10 2wr2 s ASN 88 Ca -0.15 -2.87 -0.30 0.00 -1.02 0.00 0.00 52.86 48.51 2wr2 s ASN 88 Cb 0.10 -1.49 -0.11 0.00 0.02 0.00 0.00 41.25 39.78 2wr2 s ASN 88 CO 0.64 -0.25 1.52 -2.16 0.02 0.00 0.00 177.10 176.88 2wr2 s PRO 89 N -0.07 4.20 0.35 -0.60 0.04 -1.25 -4.94 135.00 132.74 2wr2 s PRO 89 Ca 0.17 2.42 0.20 0.00 0.04 0.00 0.00 61.00 63.83 2wr2 s PRO 89 Cb -0.25 -3.08 0.20 0.00 0.04 0.00 0.00 34.50 31.40 2wr2 s PRO 89 CO -0.00 -0.53 1.48 0.28 0.04 0.00 0.00 177.00 178.26 2wr2 h VAL 90 N 3.57 0.33 -3.31 -0.36 2.07 -1.41 -3.46 116.25 113.68 2wr2 h VAL 90 Ca -0.46 -1.47 -0.66 0.00 0.82 0.00 0.00 66.70 64.93 2wr2 h VAL 90 Cb 1.22 2.12 -0.29 0.00 -1.52 0.00 0.00 31.29 32.82 2wr2 h VAL 90 CO 0.81 0.19 -0.77 0.20 0.02 0.00 0.00 177.57 178.02 2wr2 s ASN 91 N -6.23 3.96 0.00 0.57 -0.87 -0.56 -5.00 114.94 106.81 2wr2 s ASN 91 Ca 0.05 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 2wr2 s ASN 91 Cb 0.06 -1.64 0.00 0.00 -0.02 0.00 0.00 41.25 39.65 2wr2 s ASN 91 CO 0.71 0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.90 2wr2 n GLY 92 N 4.31 1.96 3.46 0.66 0.00 -1.26 -0.55 105.19 113.77 2wr2 n GLY 92 Ca -0.19 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 2wr2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr2 s LEU 93 N 0.00 4.87 0.18 0.99 1.43 -1.26 -4.07 118.68 120.82 2wr2 s LEU 93 Ca 0.00 -1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 51.01 2wr2 s LEU 93 Cb 0.00 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 43.88 2wr2 s LEU 93 CO 0.00 -1.12 1.77 0.00 0.23 0.00 0.00 176.35 177.23 2wr2 s TYR 95 N -5.75 3.49 0.74 0.00 5.04 -1.26 -4.68 117.35 114.93 2wr2 s TYR 95 Ca -0.13 1.39 -0.13 0.00 -2.44 0.00 0.00 57.07 55.76 2wr2 s TYR 95 Cb 0.13 -3.03 0.04 0.00 0.35 0.00 0.00 41.96 39.45 2wr2 s TYR 95 CO 0.78 -0.16 1.12 -1.25 -1.34 0.00 0.00 175.55 174.70 2wr2 s PRO 96 N 1.77 2.28 0.00 4.97 0.05 -1.25 -4.76 135.00 138.06 2wr2 s PRO 96 Ca 0.42 1.39 0.00 0.00 0.05 0.00 0.00 61.00 62.86 2wr2 s PRO 96 Cb -0.18 -1.88 0.00 0.00 0.05 0.00 0.00 34.50 32.49 2wr2 s PRO 96 CO 0.16 -1.66 0.00 0.41 0.05 0.00 0.00 177.00 175.97 2wr2 n GLY 97 N -0.53 -0.57 3.44 0.56 0.00 -1.26 -1.27 105.19 105.56 2wr2 n GLY 97 Ca 0.11 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2wr2 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr2 s SER 98 N -4.00 -0.13 -0.13 1.61 1.04 -0.83 -4.91 113.70 106.34 2wr2 s SER 98 Ca 0.00 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 2wr2 s SER 98 Cb 0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2wr2 s SER 98 CO 0.00 -0.98 -0.07 0.12 0.98 0.00 0.00 173.24 173.29 2wr2 s PHE 99 N -3.91 1.53 0.23 5.02 2.19 -1.26 -1.23 117.98 120.56 2wr2 s PHE 99 Ca 0.12 -0.84 -0.30 0.00 0.33 0.00 0.00 56.93 56.25 2wr2 s PHE 99 Cb 0.01 -1.25 -0.09 0.00 -1.31 0.00 0.00 43.02 40.38 2wr2 s PHE 99 CO -0.02 -0.54 1.18 -0.80 1.83 0.00 0.00 175.22 176.87 2wr2 s ASN 100 N 1.69 7.11 -1.53 6.13 0.01 0.27 -3.40 114.94 125.23 2wr2 s ASN 100 Ca 0.04 2.30 -0.11 0.00 -0.71 0.00 0.00 52.86 54.38 2wr2 s ASN 100 Cb -0.13 -2.62 0.08 0.00 0.41 0.00 0.00 41.25 38.99 2wr2 s ASN 100 CO -0.08 -0.32 0.77 0.47 -1.51 0.00 0.00 177.10 176.43 2wr2 n ASP 101 N 1.90 -2.95 -0.06 -1.22 8.00 -1.26 -4.65 116.55 116.31 2wr2 n ASP 101 Ca 0.02 -0.90 -0.12 0.00 0.71 0.00 0.00 54.79 54.50 2wr2 n ASP 101 Cb 0.44 -3.40 -0.06 0.00 -0.02 0.00 0.00 41.12 38.08 2wr2 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr2 h TYR 102 N -1.84 0.34 -0.97 1.24 3.20 -1.96 -2.63 116.97 114.35 2wr2 h TYR 102 Ca -0.60 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.28 2wr2 h TYR 102 Cb 1.38 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.49 2wr2 h TYR 102 CO 0.56 0.52 0.63 0.93 -1.64 0.00 0.00 178.16 179.15 2wr2 h GLU 103 N 0.06 1.10 -0.69 1.82 3.07 -1.90 -0.41 114.58 117.63 2wr2 h GLU 103 Ca 0.05 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2wr2 h GLU 103 Cb 0.38 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 2wr2 h GLU 103 CO 0.01 0.73 0.18 0.93 -1.40 0.00 0.00 179.01 179.45 2wr2 h GLU 104 N 1.13 1.10 -0.47 2.33 4.39 -1.90 -1.11 114.58 120.05 2wr2 h GLU 104 Ca 0.42 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.88 2wr2 h GLU 104 Cb 0.17 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2wr2 h GLU 104 CO -0.16 0.97 0.27 1.25 -1.16 0.00 0.00 179.01 180.18 2wr2 h LEU 105 N 1.04 0.44 -1.25 1.33 5.85 -0.90 -1.51 115.31 120.30 2wr2 h LEU 105 Ca 0.22 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 2wr2 h LEU 105 Cb 0.36 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wr2 h LEU 105 CO 0.00 0.31 -0.21 0.11 -0.34 0.00 0.00 178.44 178.31 2wr2 h LYS 106 N 0.55 0.25 -0.11 1.25 1.57 -0.75 -2.00 116.57 117.31 2wr2 h LYS 106 Ca 0.19 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2wr2 h LYS 106 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wr2 h LYS 106 CO -0.09 0.46 -0.62 1.25 -0.57 0.00 0.00 179.45 179.88 2wr2 h HIS 107 N 0.23 0.52 -0.72 -1.35 2.76 -0.73 -3.14 115.15 112.71 2wr2 h HIS 107 Ca 0.04 -0.20 -0.06 0.00 -2.20 0.00 0.00 60.37 57.94 2wr2 h HIS 107 Cb 0.51 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2wr2 h HIS 107 CO 0.01 0.91 0.20 1.25 -1.30 0.00 0.00 177.93 179.00 2wr2 h LEU 108 N 0.30 1.08 -3.03 0.26 5.85 -0.54 -3.07 115.31 116.16 2wr2 h LEU 108 Ca -0.01 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wr2 h LEU 108 Cb 1.16 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2wr2 h LEU 108 CO 0.11 1.01 0.00 2.30 -0.34 0.00 0.00 178.44 181.52 2wr2 n ILE 109 N -4.25 1.90 0.18 4.05 -5.35 -1.06 -4.39 119.36 110.43 2wr2 n ILE 109 Ca 0.06 -1.14 0.02 0.00 -0.27 0.00 0.00 62.75 61.42 2wr2 n ILE 109 Cb 0.24 0.01 0.36 0.00 -1.74 0.00 0.00 39.64 38.51 2wr2 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wr2 h THR 110 N 3.83 1.25 -2.54 7.28 1.03 -1.48 -3.42 112.91 118.86 2wr2 h THR 110 Ca 0.00 -1.21 -0.17 0.00 -0.01 0.00 0.00 66.41 65.02 2wr2 h THR 110 Cb 1.49 1.63 -0.30 0.00 -1.07 0.00 0.00 68.15 69.90 2wr2 h THR 110 CO 0.27 0.35 -0.47 -0.55 -0.01 0.00 0.00 175.52 175.11 2wr2 s SER 111 N -6.93 0.19 0.28 0.00 0.15 -1.26 -3.52 113.70 102.61 2wr2 s SER 111 Ca -0.03 0.62 0.03 0.00 0.70 0.00 0.00 55.95 57.26 2wr2 s SER 111 Cb 0.14 0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 65.40 2wr2 s SER 111 CO 0.73 -0.25 0.15 0.68 1.20 0.00 0.00 173.24 175.75 2wr2 s VAL 112 N 2.51 0.30 0.00 4.45 -7.23 -0.66 -4.26 120.40 115.51 2wr2 s VAL 112 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2wr2 s VAL 112 Cb -0.13 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2wr2 s VAL 112 CO -0.12 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.74 2wr2 n THR 113 N -0.52 0.00 -4.58 5.32 5.66 0.15 -3.23 114.28 117.08 2wr2 n THR 113 Ca 0.01 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.75 2wr2 n THR 113 Cb 0.65 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.32 2wr2 n THR 113 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2wr2 s HIS 114 N 0.00 2.31 -0.02 1.09 5.65 -0.94 -4.01 115.29 119.37 2wr2 s HIS 114 Ca 0.00 -0.78 -0.00 0.00 0.25 0.00 0.00 55.06 54.53 2wr2 s HIS 114 Cb 0.00 -1.62 0.03 0.00 -1.18 0.00 0.00 32.58 29.81 2wr2 s HIS 114 CO 0.00 0.30 0.04 0.12 -0.65 0.00 0.00 174.74 174.55 2wr2 s PHE 115 N -2.89 0.03 -0.30 3.88 5.36 -0.52 -0.54 117.98 123.00 2wr2 s PHE 115 Ca 0.33 0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 56.38 2wr2 s PHE 115 Cb 0.09 -0.27 0.15 0.00 -0.34 0.00 0.00 43.02 42.65 2wr2 s PHE 115 CO 0.16 -0.10 0.66 -2.00 -1.46 0.00 0.00 175.22 172.48 2wr2 s GLU 116 N 1.22 0.56 0.14 10.12 2.12 -0.44 -4.67 118.70 127.74 2wr2 s GLU 116 Ca -0.07 1.31 -0.31 0.00 0.36 0.00 0.00 54.97 56.26 2wr2 s GLU 116 Cb -0.13 0.78 -0.08 0.00 0.26 0.00 0.00 34.13 34.96 2wr2 s GLU 116 CO -0.03 -0.29 1.39 0.21 -0.54 0.00 0.00 175.26 176.00 2wr2 s LYS 117 N 2.87 4.32 0.01 4.30 2.20 -1.26 -1.14 119.74 131.04 2wr2 s LYS 117 Ca 0.01 2.11 0.03 0.00 -0.36 0.00 0.00 55.97 57.76 2wr2 s LYS 117 Cb -0.12 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2wr2 s LYS 117 CO -0.19 -0.42 -0.11 0.14 -0.36 0.00 0.00 175.35 174.41 2wr2 s VAL 118 N 0.86 0.85 -0.56 4.02 -7.23 0.07 -4.95 120.40 113.45 2wr2 s VAL 118 Ca 0.63 -0.62 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 2wr2 s VAL 118 Cb -0.38 -0.74 0.01 0.00 0.56 0.00 0.00 36.38 35.84 2wr2 s VAL 118 CO 0.32 0.12 1.41 -0.75 -0.31 0.00 0.00 175.10 175.89 2wr2 s LYS 119 N -0.57 3.31 -0.11 4.82 2.20 -1.26 -0.76 119.74 127.38 2wr2 s LYS 119 Ca 0.02 0.46 0.19 0.00 -0.36 0.00 0.00 55.97 56.28 2wr2 s LYS 119 Cb -0.05 -4.12 -0.26 0.00 -1.51 0.00 0.00 37.83 31.89 2wr2 s LYS 119 CO 0.00 -1.92 0.32 0.44 -0.36 0.00 0.00 175.35 173.83 2wr2 n ILE 120 N 6.86 0.97 -3.38 5.43 -5.35 -0.36 -4.74 119.36 118.79 2wr2 n ILE 120 Ca 0.12 -0.73 -0.26 0.00 -0.27 0.00 0.00 62.75 61.61 2wr2 n ILE 120 Cb 0.49 -0.39 -0.10 0.00 -1.74 0.00 0.00 39.64 37.91 2wr2 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr2 n LEU 121 N -2.64 -0.10 -4.66 7.28 4.77 -0.51 -4.92 117.00 116.21 2wr2 n LEU 121 Ca -0.21 -4.50 -0.63 0.00 -0.03 0.00 0.00 56.01 50.64 2wr2 n LEU 121 Cb 0.94 0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 42.41 2wr2 n LEU 121 CO 0.44 1.90 1.30 -2.65 -1.33 0.00 0.00 177.39 177.05 2wr2 n PRO 122 N 2.48 0.38 -0.53 3.23 -0.02 -1.26 -4.56 135.00 134.73 2wr2 n PRO 122 Ca 0.28 0.13 0.43 0.00 -2.02 0.00 0.00 63.50 62.32 2wr2 n PRO 122 Cb 0.48 -1.72 0.69 0.00 -0.02 0.00 0.00 33.50 32.94 2wr2 n PRO 122 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2wr2 n ARG 123 N 5.03 -0.02 0.07 -0.52 0.63 -1.26 -1.48 116.66 119.11 2wr2 n ARG 123 Ca 0.33 1.15 0.13 0.00 -0.92 0.00 0.00 57.85 58.54 2wr2 n ARG 123 Cb 0.01 -2.37 0.46 0.00 0.45 0.00 0.00 32.46 31.01 2wr2 n ARG 123 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2wr2 n ASP 124 N -4.37 0.57 -0.43 6.15 5.68 -1.26 -3.33 116.55 119.56 2wr2 n ASP 124 Ca 0.40 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 55.36 2wr2 n ASP 124 Cb 1.64 -0.69 0.51 0.00 -1.14 0.00 0.00 41.12 41.44 2wr2 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr2 n GLN 125 N -2.03 1.59 -1.69 0.11 6.02 -0.55 -4.15 117.38 116.67 2wr2 n GLN 125 Ca 0.06 -0.87 -0.41 0.00 -0.01 0.00 0.00 57.00 55.77 2wr2 n GLN 125 Cb 0.40 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 2wr2 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr2 n TRP 126 N 0.06 3.22 0.13 1.08 7.02 -1.21 -4.80 117.44 122.95 2wr2 n TRP 126 Ca 0.18 -2.99 0.02 0.00 -1.02 0.00 0.00 57.50 53.70 2wr2 n TRP 126 Cb 0.31 -2.48 0.38 0.00 -2.42 0.00 0.00 31.31 27.09 2wr2 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr2 h THR 127 N 3.73 1.20 -0.39 -0.99 1.35 -1.90 -2.86 112.91 113.05 2wr2 h THR 127 Ca 0.63 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2wr2 h THR 127 Cb 0.55 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2wr2 h THR 127 CO 1.84 0.27 0.00 0.00 -0.25 0.00 0.00 175.52 177.38 2wr2 n GLN 128 N -4.23 2.43 -3.99 4.72 6.02 -1.26 -4.90 117.38 116.17 2wr2 n GLN 128 Ca -0.01 -1.62 -0.09 0.00 -0.01 0.00 0.00 57.00 55.27 2wr2 n GLN 128 Cb 0.30 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 2wr2 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr2 s HIS 129 N -1.64 0.31 0.33 1.08 3.76 -1.08 -4.51 115.29 113.54 2wr2 s HIS 129 Ca 0.29 -0.67 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 2wr2 s HIS 129 Cb 0.18 -0.23 -0.10 0.00 1.11 0.00 0.00 32.58 33.55 2wr2 s HIS 129 CO 0.16 -0.31 0.90 0.99 -0.85 0.00 0.00 174.74 175.62 2wr2 s THR 130 N -2.61 4.34 0.00 1.30 2.01 0.14 -4.89 115.64 115.93 2wr2 s THR 130 Ca -0.05 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2wr2 s THR 130 Cb -0.01 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2wr2 s THR 130 CO -0.05 0.04 0.00 0.41 -0.69 0.00 0.00 174.62 174.33 2wr2 n THR 131 N 0.28 0.00 0.58 -0.82 -1.04 -1.26 -0.96 114.28 111.06 2wr2 n THR 131 Ca 0.02 -0.11 0.10 0.00 -2.04 0.00 0.00 64.05 62.02 2wr2 n THR 131 Cb 0.51 0.83 0.26 0.00 -1.82 0.00 0.00 70.33 70.11 2wr2 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr2 n THR 132 N -0.32 0.52 -1.84 12.58 -2.24 -1.26 -4.43 114.28 117.30 2wr2 n THR 132 Ca 0.00 -0.61 -0.39 0.00 -2.27 0.00 0.00 64.05 60.78 2wr2 n THR 132 Cb 0.00 0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2wr2 n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wr2 s GLY 133 N -1.25 2.89 0.15 3.38 0.00 -1.26 -5.02 107.32 106.22 2wr2 s GLY 133 Ca 0.35 1.33 -0.02 0.00 0.00 0.00 0.00 44.72 46.38 2wr2 s GLY 133 CO 0.26 1.87 0.23 0.61 0.00 0.00 0.00 173.10 176.07 2wr2 n GLY 134 N 0.66 2.52 3.05 0.20 0.00 -1.26 -4.61 105.19 105.75 2wr2 n GLY 134 Ca 0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 2wr2 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr2 s SER 135 N -1.93 0.65 0.57 1.61 0.15 0.74 -4.83 113.70 110.67 2wr2 s SER 135 Ca 0.12 -0.60 0.35 0.00 0.70 0.00 0.00 55.95 56.52 2wr2 s SER 135 Cb -0.01 0.07 1.66 0.00 -1.71 0.00 0.00 66.02 66.04 2wr2 s SER 135 CO 0.08 -0.28 2.10 -0.09 1.20 0.00 0.00 173.24 176.25 2wr2 h ARG 136 N 4.34 0.00 0.00 5.44 9.65 -1.92 -1.89 114.38 130.00 2wr2 h ARG 136 Ca -0.34 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.53 2wr2 h ARG 136 Cb 1.20 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2wr2 h ARG 136 CO 0.44 0.03 -0.03 0.00 2.80 0.00 0.00 179.97 183.22 2wr2 h ALA 137 N 1.97 1.01 -0.18 2.80 0.00 -1.89 -2.58 119.26 120.39 2wr2 h ALA 137 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wr2 h ALA 137 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wr2 h ALA 137 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2wr2 n ALA 139 N -0.78 -0.56 -1.00 0.00 0.00 -0.97 -3.72 120.51 113.48 2wr2 n ALA 139 Ca 0.20 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2wr2 n ALA 139 Cb 0.82 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2wr2 n ALA 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr2 n VAL 140 N 2.96 0.00 -3.05 0.00 0.31 -0.18 -4.86 118.33 113.52 2wr2 n VAL 140 Ca 0.19 0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.56 2wr2 n VAL 140 Cb 0.20 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 2wr2 n VAL 140 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2wr2 s LEU 141 N -0.49 -1.19 -0.55 7.52 -0.00 -1.26 -4.69 118.68 118.02 2wr2 s LEU 141 Ca 0.00 -1.40 0.04 0.00 -0.00 0.00 0.00 54.13 52.77 2wr2 s LEU 141 Cb 0.00 1.66 0.39 0.00 -0.00 0.00 0.00 46.19 48.24 2wr2 s LEU 141 CO 0.00 -0.13 1.23 -0.90 -0.00 0.00 0.00 176.35 176.56 2wr2 n ASP 142 N 3.69 5.17 -4.84 1.48 5.75 -1.26 -5.09 116.55 121.44 2wr2 n ASP 142 Ca 0.15 -3.73 -0.35 0.00 -0.01 0.00 0.00 54.79 50.86 2wr2 n ASP 142 Cb 0.55 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 2wr2 n ASP 142 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wr2 s ASN 143 N -3.10 6.88 0.15 -1.12 0.01 -1.26 -4.94 114.94 111.55 2wr2 s ASN 143 Ca 0.48 1.23 -0.34 0.00 -0.71 0.00 0.00 52.86 53.53 2wr2 s ASN 143 Cb 0.37 -2.35 -0.14 0.00 0.41 0.00 0.00 41.25 39.55 2wr2 s ASN 143 CO -0.21 -0.01 1.58 -2.65 -1.51 0.00 0.00 177.10 174.30 2wr2 n PRO 144 N 0.40 2.14 -1.09 -0.60 -0.02 -1.26 -1.01 135.00 133.55 2wr2 n PRO 144 Ca -0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2wr2 n PRO 144 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2wr2 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr2 n SER 145 N 3.51 0.76 -3.77 2.55 2.88 -1.01 -4.63 113.62 113.91 2wr2 n SER 145 Ca 0.17 -0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 57.08 2wr2 n SER 145 Cb 0.29 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 2wr2 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr2 s PHE 146 N -0.99 -0.21 -0.25 0.66 5.36 -1.26 -0.19 117.98 121.09 2wr2 s PHE 146 Ca 0.00 -0.18 -0.38 0.00 -0.96 0.00 0.00 56.93 55.41 2wr2 s PHE 146 Cb 0.00 0.62 -0.14 0.00 -0.34 0.00 0.00 43.02 43.15 2wr2 s PHE 146 CO 0.00 -1.12 1.85 1.19 -1.46 0.00 0.00 175.22 175.68 2wr2 n PHE 147 N -0.43 2.05 0.39 10.12 3.72 -1.26 -4.60 117.46 127.45 2wr2 n PHE 147 Ca -0.07 0.38 0.13 0.00 -0.05 0.00 0.00 57.45 57.85 2wr2 n PHE 147 Cb 0.61 -2.51 0.52 0.00 -0.94 0.00 0.00 39.48 37.15 2wr2 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr2 h ARG 148 N 8.41 0.00 -0.01 -1.08 3.08 -0.65 -2.46 114.38 121.67 2wr2 h ARG 148 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2wr2 h ARG 148 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wr2 h ARG 148 CO 0.97 0.00 -0.31 0.09 -1.07 0.00 0.00 179.97 179.65 2wr2 n ASN 149 N -2.48 1.59 -4.57 7.04 3.02 -0.67 -4.96 115.26 114.23 2wr2 n ASN 149 Ca 0.02 -1.26 -0.26 0.00 -0.03 0.00 0.00 54.58 53.04 2wr2 n ASN 149 Cb 0.28 0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 39.60 2wr2 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr2 s MET 150 N -2.42 1.87 -0.13 3.52 -1.94 -0.93 -1.70 119.30 117.58 2wr2 s MET 150 Ca 0.23 -1.98 -0.00 0.00 -1.71 0.00 0.00 55.69 52.23 2wr2 s MET 150 Cb 0.19 -1.70 0.02 0.00 2.01 0.00 0.00 34.83 35.36 2wr2 s MET 150 CO 0.51 0.09 -0.11 0.08 -0.01 0.00 0.00 175.02 175.58 2wr2 s VAL 151 N -2.63 1.29 -0.73 -6.03 1.01 0.51 -4.82 120.40 109.00 2wr2 s VAL 151 Ca 0.33 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2wr2 s VAL 151 Cb 0.04 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 35.23 2wr2 s VAL 151 CO 0.17 0.40 1.11 0.86 0.00 0.00 0.00 175.10 177.64 2wr2 s TRP 152 N 1.60 2.57 -0.02 5.22 -0.11 -1.26 -1.57 118.94 125.36 2wr2 s TRP 152 Ca 0.05 -0.46 -0.30 0.00 1.22 0.00 0.00 56.10 56.60 2wr2 s TRP 152 Cb -0.13 -4.43 -0.04 0.00 -1.50 0.00 0.00 33.47 27.38 2wr2 s TRP 152 CO -0.09 -1.80 1.16 -0.51 -4.62 0.00 0.00 176.95 171.09 2wr2 s LEU 153 N 4.57 4.31 0.32 5.86 1.43 -1.24 -4.15 118.68 129.78 2wr2 s LEU 153 Ca 0.28 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 2wr2 s LEU 153 Cb -0.12 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2wr2 s LEU 153 CO 0.09 -0.51 0.14 0.42 0.23 0.00 0.00 176.35 176.72 2wr2 s THR 154 N 1.77 0.47 0.65 5.49 -4.23 -0.13 -4.69 115.64 114.96 2wr2 s THR 154 Ca 0.56 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.89 2wr2 s THR 154 Cb -0.25 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2wr2 s THR 154 CO 0.24 0.00 1.25 -1.59 -0.54 0.00 0.00 174.62 173.98 2wr2 s LYS 155 N -3.83 2.61 -0.39 3.99 -2.85 -0.11 -0.69 119.74 118.47 2wr2 s LYS 155 Ca 0.34 1.92 -0.12 0.00 -1.00 0.00 0.00 55.97 57.11 2wr2 s LYS 155 Cb 0.05 -1.87 0.03 0.00 -2.06 0.00 0.00 37.83 33.99 2wr2 s LYS 155 CO 0.17 -1.52 0.23 0.21 0.10 0.00 0.00 175.35 174.54 2wr2 s LYS 156 N -3.48 2.82 6.76 1.78 2.47 0.07 -3.96 119.74 126.20 2wr2 s LYS 156 Ca 0.79 -1.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 2wr2 s LYS 156 Cb -0.33 -3.79 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 2wr2 s LYS 156 CO 0.39 -0.75 0.00 0.41 0.16 0.00 0.00 175.35 175.55 2wr2 n GLY 157 N 5.02 2.35 0.67 5.54 0.00 -1.26 -1.76 105.19 115.75 2wr2 n GLY 157 Ca -0.12 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2wr2 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr2 n SER 158 N 10.59 3.37 -4.12 1.61 3.41 -1.26 -5.00 113.62 122.22 2wr2 n SER 158 Ca 0.00 -2.81 -0.28 0.00 -0.26 0.00 0.00 58.87 55.52 2wr2 n SER 158 Cb 0.00 -0.44 -0.17 0.00 -0.26 0.00 0.00 64.21 63.34 2wr2 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr2 s ASN 159 N -1.89 2.41 -0.58 4.04 0.02 -0.72 -4.93 114.94 113.29 2wr2 s ASN 159 Ca 0.35 -0.43 -0.01 0.00 -1.02 0.00 0.00 52.86 51.75 2wr2 s ASN 159 Cb 0.28 -1.11 0.15 0.00 0.02 0.00 0.00 41.25 40.59 2wr2 s ASN 159 CO 0.09 0.10 0.38 -0.47 0.02 0.00 0.00 177.10 177.21 2wr2 s TYR 160 N 0.50 3.38 0.85 2.20 5.04 -1.26 -0.75 117.35 127.31 2wr2 s TYR 160 Ca -0.17 -2.82 -0.11 0.00 -2.44 0.00 0.00 57.07 51.53 2wr2 s TYR 160 Cb -0.17 -3.11 0.10 0.00 0.35 0.00 0.00 41.96 39.14 2wr2 s TYR 160 CO 0.06 -0.83 1.09 -2.14 -1.34 0.00 0.00 175.55 172.40 2wr2 s PRO 161 N -0.03 1.61 0.15 4.97 0.02 -1.26 -4.90 135.00 135.55 2wr2 s PRO 161 Ca 0.16 0.75 -0.32 0.00 0.02 0.00 0.00 61.00 61.61 2wr2 s PRO 161 Cb -0.22 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 2wr2 s PRO 161 CO -0.03 -1.98 1.74 1.51 -0.33 0.00 0.00 177.00 177.91 2wr2 n ILE 162 N -3.69 0.15 -3.38 2.83 3.06 -1.26 -4.86 119.36 112.21 2wr2 n ILE 162 Ca 0.07 -0.03 -0.39 0.00 -2.50 0.00 0.00 62.75 59.91 2wr2 n ILE 162 Cb 0.56 -1.92 -0.08 0.00 0.54 0.00 0.00 39.64 38.73 2wr2 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr2 s ALA 163 N 1.79 3.57 -0.12 1.51 0.00 -0.05 -4.96 121.76 123.51 2wr2 s ALA 163 Ca 0.79 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 2wr2 s ALA 163 Cb -0.55 -2.68 0.05 0.00 0.00 0.00 0.00 23.12 19.95 2wr2 s ALA 163 CO 0.36 -0.48 0.13 0.15 0.00 0.00 0.00 175.76 175.92 2wr2 s LYS 164 N 1.70 0.04 -0.01 0.00 1.02 -1.26 -0.96 119.74 120.27 2wr2 s LYS 164 Ca 0.17 0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.36 2wr2 s LYS 164 Cb -0.15 -0.91 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2wr2 s LYS 164 CO 0.09 -0.47 0.18 1.03 -0.92 0.00 0.00 175.35 175.26 2wr2 s ARG 165 N 2.23 0.51 0.23 1.68 0.52 -1.05 -5.02 118.95 118.06 2wr2 s ARG 165 Ca 0.04 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 2wr2 s ARG 165 Cb -0.14 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 2wr2 s ARG 165 CO -0.07 -0.13 0.02 -1.54 0.02 0.00 0.00 175.30 173.61 2wr2 s SER 166 N -1.28 1.64 -0.06 0.23 1.04 -1.26 -1.28 113.70 112.72 2wr2 s SER 166 Ca -0.14 -1.26 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 2wr2 s SER 166 Cb -0.07 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.14 2wr2 s SER 166 CO 0.02 -0.58 0.14 -0.47 0.98 0.00 0.00 173.24 173.33 2wr2 s TYR 167 N -3.52 -0.15 -0.21 5.02 5.04 -0.87 -4.99 117.35 117.67 2wr2 s TYR 167 Ca 0.30 0.47 -0.15 0.00 -2.44 0.00 0.00 57.07 55.25 2wr2 s TYR 167 Cb 0.06 -0.13 -0.04 0.00 0.35 0.00 0.00 41.96 42.21 2wr2 s TYR 167 CO 0.10 -0.17 0.36 1.21 -1.34 0.00 0.00 175.55 175.70 2wr2 s ASN 168 N 1.32 6.37 -1.10 4.32 3.84 -1.26 -1.90 114.94 126.52 2wr2 s ASN 168 Ca -0.07 0.43 -0.22 0.00 0.21 0.00 0.00 52.86 53.20 2wr2 s ASN 168 Cb -0.12 -2.21 -0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2wr2 s ASN 168 CO -0.06 -0.06 1.78 0.21 -2.79 0.00 0.00 177.10 176.18 2wr2 s ASN 169 N 1.10 5.82 -0.28 -4.21 2.47 -0.45 -4.71 114.94 114.68 2wr2 s ASN 169 Ca 0.17 -1.54 0.10 0.00 0.42 0.00 0.00 52.86 52.01 2wr2 s ASN 169 Cb -0.15 -2.57 0.72 0.00 -1.45 0.00 0.00 41.25 37.80 2wr2 s ASN 169 CO 0.07 -2.19 1.72 0.35 -3.72 0.00 0.00 177.10 173.33 2wr2 n THR 170 N 7.29 2.71 0.11 -5.21 -2.24 -1.26 -0.25 114.28 115.42 2wr2 n THR 170 Ca 0.42 -1.44 -0.02 0.00 -2.27 0.00 0.00 64.05 60.74 2wr2 n THR 170 Cb 0.48 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 2wr2 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr2 h SER 171 N 2.88 0.00 0.00 3.42 4.64 -1.98 -3.47 113.55 119.04 2wr2 h SER 171 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2wr2 h SER 171 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 2wr2 h SER 171 CO 0.63 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 2wr2 n GLY 172 N 1.16 2.22 3.27 -0.77 0.00 -1.26 -5.07 105.19 104.73 2wr2 n GLY 172 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2wr2 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr2 s GLU 173 N -0.56 1.19 0.54 1.61 2.02 -1.26 -4.98 118.70 117.25 2wr2 s GLU 173 Ca 0.00 -1.59 -0.21 0.00 0.02 0.00 0.00 54.97 53.19 2wr2 s GLU 173 Cb 0.00 -0.33 -0.05 0.00 0.10 0.00 0.00 34.13 33.85 2wr2 s GLU 173 CO 0.00 -0.14 1.27 1.04 0.02 0.00 0.00 175.26 177.44 2wr2 n GLN 174 N -0.30 1.54 -4.27 1.61 6.02 -1.26 -4.36 117.38 116.36 2wr2 n GLN 174 Ca -0.05 0.57 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 2wr2 n GLN 174 Cb 0.64 -2.46 -0.17 0.00 1.02 0.00 0.00 30.24 29.27 2wr2 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr2 s MET 175 N -2.78 1.80 -0.09 -1.09 1.75 0.20 -1.42 119.30 117.67 2wr2 s MET 175 Ca 0.71 -0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 54.46 2wr2 s MET 175 Cb -0.43 -1.63 -0.01 0.00 2.84 0.00 0.00 34.83 35.59 2wr2 s MET 175 CO 0.50 -0.12 1.00 -1.17 -0.65 0.00 0.00 175.02 174.58 2wr2 s LEU 176 N 1.17 4.26 -0.03 4.11 2.96 -0.03 -0.12 118.68 131.00 2wr2 s LEU 176 Ca -0.04 1.54 0.03 0.00 -0.22 0.00 0.00 54.13 55.44 2wr2 s LEU 176 Cb -0.14 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 2wr2 s LEU 176 CO -0.03 -0.42 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.83 2wr2 s ILE 177 N 1.87 1.00 0.05 6.68 1.01 -0.73 -0.88 121.20 130.19 2wr2 s ILE 177 Ca 0.49 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.72 2wr2 s ILE 177 Cb -0.19 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2wr2 s ILE 177 CO 0.19 0.30 -0.23 -0.63 0.00 0.00 0.00 174.94 174.57 2wr2 s ILE 178 N 0.05 1.84 0.23 2.92 1.01 -1.26 -1.48 121.20 124.52 2wr2 s ILE 178 Ca -0.02 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 2wr2 s ILE 178 Cb -0.09 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2wr2 s ILE 178 CO 0.01 0.22 0.39 -1.66 0.00 0.00 0.00 174.94 173.90 2wr2 s TRP 179 N -0.85 0.54 0.21 3.97 -2.14 -0.10 -3.80 118.94 116.78 2wr2 s TRP 179 Ca 0.09 -0.87 -0.07 0.00 2.66 0.00 0.00 56.10 57.91 2wr2 s TRP 179 Cb -0.09 0.01 -0.02 0.00 -3.10 0.00 0.00 33.47 30.26 2wr2 s TRP 179 CO 0.02 -0.90 0.29 0.20 -2.66 0.00 0.00 176.95 173.90 2wr2 s GLY 180 N -3.05 0.90 -0.02 3.67 0.00 -0.43 0.17 107.32 108.56 2wr2 s GLY 180 Ca 0.26 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.79 2wr2 s GLY 180 CO 0.09 -1.00 -0.12 -1.50 0.00 0.00 0.00 173.10 170.57 2wr2 s ILE 181 N -4.07 0.96 -0.19 0.90 2.07 -0.08 -0.83 121.20 119.97 2wr2 s ILE 181 Ca 0.28 -0.50 -0.21 0.00 -1.41 0.00 0.00 60.65 58.80 2wr2 s ILE 181 Cb 0.03 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 2wr2 s ILE 181 CO 0.08 0.28 0.64 -2.28 -1.91 0.00 0.00 174.94 171.75 2wr2 s HIS 182 N -0.16 3.39 -0.64 3.50 5.65 -0.33 -1.57 115.29 125.13 2wr2 s HIS 182 Ca 0.02 0.97 -0.10 0.00 0.25 0.00 0.00 55.06 56.20 2wr2 s HIS 182 Cb -0.06 -2.81 0.17 0.00 -1.18 0.00 0.00 32.58 28.70 2wr2 s HIS 182 CO -0.00 -0.15 0.54 -1.01 -0.65 0.00 0.00 174.74 173.46 2wr2 s HIS 183 N 1.83 3.52 0.92 3.88 0.09 0.19 -4.59 115.29 121.13 2wr2 s HIS 183 Ca 0.30 -2.03 -0.11 0.00 -0.00 0.00 0.00 55.06 53.22 2wr2 s HIS 183 Cb -0.16 -3.59 0.15 0.00 -0.00 0.00 0.00 32.58 28.98 2wr2 s HIS 183 CO 0.11 -0.96 1.09 -2.14 -0.00 0.00 0.00 174.74 172.84 2wr2 s PRO 184 N 0.64 1.01 0.20 8.40 0.02 -1.25 -0.97 135.00 143.05 2wr2 s PRO 184 Ca 0.12 1.03 0.09 0.00 0.02 0.00 0.00 61.00 62.26 2wr2 s PRO 184 Cb -0.20 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.62 2wr2 s PRO 184 CO -0.04 -2.47 1.44 -0.97 -0.33 0.00 0.00 177.00 174.63 2wr2 h ASN 185 N -1.73 0.00 -5.07 2.53 -1.24 -1.78 -2.47 115.58 105.81 2wr2 h ASN 185 Ca -0.49 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.61 2wr2 h ASN 185 Cb 1.28 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.28 2wr2 h ASN 185 CO 0.51 0.80 0.29 1.51 -1.29 0.00 0.00 177.43 179.24 2wr2 s ASP 186 N -6.74 -0.23 0.30 1.15 1.47 -1.26 -2.86 116.67 108.50 2wr2 s ASP 186 Ca 0.00 -0.58 -0.02 0.00 1.18 0.00 0.00 52.55 53.13 2wr2 s ASP 186 Cb 0.11 0.68 0.44 0.00 -0.34 0.00 0.00 42.92 43.81 2wr2 s ASP 186 CO 0.79 -1.26 1.93 0.44 0.68 0.00 0.00 175.17 177.75 2wr2 h ASP 187 N 2.00 0.88 -0.76 2.11 3.32 -1.94 -2.30 116.42 119.73 2wr2 h ASP 187 Ca -0.21 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2wr2 h ASP 187 Cb 1.25 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2wr2 h ASP 187 CO 0.24 0.70 0.44 0.00 -1.72 0.00 0.00 179.24 178.90 2wr2 h ALA 188 N 1.45 0.98 -0.65 3.45 0.00 -1.99 -0.12 119.26 122.37 2wr2 h ALA 188 Ca 0.26 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wr2 h ALA 188 Cb -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2wr2 h ALA 188 CO -0.04 0.47 0.10 1.49 0.00 0.00 0.00 179.25 181.27 2wr2 h GLU 189 N 1.05 1.07 -0.48 0.00 4.81 -1.86 -0.04 114.58 119.12 2wr2 h GLU 189 Ca 0.27 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2wr2 h GLU 189 Cb 0.00 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2wr2 h GLU 189 CO -0.05 0.98 0.31 0.37 -0.73 0.00 0.00 179.01 179.89 2wr2 h GLN 190 N 1.00 0.61 -0.12 1.92 5.75 -0.85 -1.64 115.11 121.78 2wr2 h GLN 190 Ca 0.20 -0.04 -0.22 0.00 -0.15 0.00 0.00 58.65 58.44 2wr2 h GLN 190 Cb 0.43 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 28.85 2wr2 h GLN 190 CO 0.01 0.40 -0.79 0.00 -2.65 0.00 0.00 178.83 175.80 2wr2 h ARG 191 N 0.63 0.69 -0.47 1.69 3.08 -0.79 0.47 114.38 119.68 2wr2 h ARG 191 Ca 0.18 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.66 2wr2 h ARG 191 Cb -0.05 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2wr2 h ARG 191 CO -0.05 1.19 0.31 1.15 -1.07 0.00 0.00 179.97 181.50 2wr2 h THR 192 N 0.46 1.11 0.09 2.04 2.02 -0.86 -1.56 112.91 116.21 2wr2 h THR 192 Ca -0.05 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 2wr2 h THR 192 Cb 1.41 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2wr2 h THR 192 CO 0.16 0.11 -0.59 -0.07 0.37 0.00 0.00 175.52 175.50 2wr2 h LEU 193 N 0.63 0.37 -0.46 2.58 3.38 -1.27 -3.42 115.31 117.12 2wr2 h LEU 193 Ca 0.18 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2wr2 h LEU 193 Cb -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2wr2 h LEU 193 CO -0.05 1.26 -0.01 -1.22 0.09 0.00 0.00 178.44 178.52 2wr2 n TYR 194 N -4.26 0.00 0.00 1.13 4.01 0.15 -0.93 117.16 117.26 2wr2 n TYR 194 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2wr2 n TYR 194 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 2wr2 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr2 n GLN 195 N -0.54 0.00 -1.77 -0.72 -0.06 -0.59 -4.40 117.38 109.30 2wr2 n GLN 195 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.65 2wr2 n GLN 195 Cb 0.00 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.24 2wr2 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr2 s ASN 196 N 0.00 4.84 0.31 1.69 0.01 -1.26 -4.65 114.94 115.88 2wr2 s ASN 196 Ca 0.00 2.31 0.09 0.00 -0.71 0.00 0.00 52.86 54.55 2wr2 s ASN 196 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 2wr2 s ASN 196 CO 0.00 -1.82 0.06 -0.69 -1.51 0.00 0.00 177.10 173.14 2wr2 s VAL 197 N -1.86 3.09 -1.23 1.60 1.01 -1.26 -4.73 120.40 117.01 2wr2 s VAL 197 Ca 0.74 -1.83 -0.00 0.00 0.00 0.00 0.00 61.98 60.89 2wr2 s VAL 197 Cb -0.28 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2wr2 s VAL 197 CO 0.39 -0.25 0.88 0.61 0.00 0.00 0.00 175.10 176.72 2wr2 n GLY 198 N -1.02 -0.37 3.97 4.51 0.00 -1.26 -4.99 105.19 106.04 2wr2 n GLY 198 Ca -0.04 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2wr2 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr2 s THR 199 N -3.48 2.24 0.12 2.61 -4.23 -1.26 -5.07 115.64 106.57 2wr2 s THR 199 Ca 0.02 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 2wr2 s THR 199 Cb -0.00 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2wr2 s THR 199 CO 0.76 0.00 0.31 -0.72 -0.54 0.00 0.00 174.62 174.43 2wr2 s TYR 200 N -3.18 0.05 -0.09 3.99 -0.85 -1.26 -4.41 117.35 111.61 2wr2 s TYR 200 Ca 0.65 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.80 2wr2 s TYR 200 Cb -0.07 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.37 2wr2 s TYR 200 CO 0.44 -0.66 -0.19 0.08 -1.52 0.00 0.00 175.55 173.70 2wr2 s VAL 201 N -3.86 1.64 -0.04 -3.49 1.01 -0.02 -2.30 120.40 113.33 2wr2 s VAL 201 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2wr2 s VAL 201 Cb 0.03 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2wr2 s VAL 201 CO -0.09 0.47 -0.16 -0.55 0.00 0.00 0.00 175.10 174.77 2wr2 s SER 202 N 0.51 2.06 -0.02 3.32 0.15 0.17 -1.12 113.70 118.78 2wr2 s SER 202 Ca -0.16 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2wr2 s SER 202 Cb -0.17 -0.57 0.02 0.00 -1.71 0.00 0.00 66.02 63.59 2wr2 s SER 202 CO 0.06 0.14 0.01 -0.69 1.20 0.00 0.00 173.24 173.97 2wr2 s VAL 203 N 0.06 0.04 -0.08 4.45 1.01 -0.83 -0.65 120.40 124.40 2wr2 s VAL 203 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2wr2 s VAL 203 Cb -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.17 2wr2 s VAL 203 CO 0.02 0.08 0.21 -0.83 0.00 0.00 0.00 175.10 174.58 2wr2 s GLY 204 N 0.74 -0.14 0.00 4.51 0.00 -0.71 -1.81 107.32 109.91 2wr2 s GLY 204 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2wr2 s GLY 204 CO -0.02 0.65 0.00 -1.30 0.00 0.00 0.00 173.10 172.43 2wr2 n THR 205 N 3.26 0.00 0.13 0.90 -2.24 -0.23 -0.58 114.28 115.52 2wr2 n THR 205 Ca -0.16 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 2wr2 n THR 205 Cb 0.57 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.21 2wr2 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr2 h SER 206 N 0.00 0.19 0.00 3.42 0.02 -1.99 -3.30 113.55 111.89 2wr2 h SER 206 Ca 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2wr2 h SER 206 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2wr2 h SER 206 CO 0.00 0.35 -1.22 0.35 -1.14 0.00 0.00 176.83 175.16 2wr2 n THR 207 N -4.29 0.12 -3.81 -2.27 -2.24 -1.26 -5.02 114.28 95.51 2wr2 n THR 207 Ca -0.01 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 2wr2 n THR 207 Cb 0.26 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 2wr2 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr2 s LEU 208 N -3.75 4.36 -0.18 3.22 2.96 -1.25 -5.08 118.68 118.98 2wr2 s LEU 208 Ca -0.02 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.32 2wr2 s LEU 208 Cb 0.02 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.67 2wr2 s LEU 208 CO 0.16 0.35 0.30 0.21 -1.32 0.00 0.00 176.35 176.06 2wr2 s ASN 209 N -0.75 0.41 -0.13 3.68 2.47 -1.26 -1.07 114.94 118.30 2wr2 s ASN 209 Ca 0.15 0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.76 2wr2 s ASN 209 Cb -0.12 0.84 0.03 0.00 -1.45 0.00 0.00 41.25 40.55 2wr2 s ASN 209 CO 0.04 -0.27 0.33 -0.75 -3.72 0.00 0.00 177.10 172.73 2wr2 s LYS 210 N 2.46 0.38 -0.04 0.43 2.20 -0.75 -5.04 119.74 119.38 2wr2 s LYS 210 Ca 0.04 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2wr2 s LYS 210 Cb -0.13 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2wr2 s LYS 210 CO -0.11 -0.06 0.01 0.50 -0.36 0.00 0.00 175.35 175.33 2wr2 s ARG 211 N 0.29 0.28 0.04 4.03 3.52 -1.26 -1.96 118.95 123.89 2wr2 s ARG 211 Ca -0.01 0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.81 2wr2 s ARG 211 Cb -0.03 -0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 32.75 2wr2 s ARG 211 CO -0.01 -0.21 -0.22 -1.12 -0.81 0.00 0.00 175.30 172.94 2wr2 s SER 212 N 1.46 2.58 -0.09 -2.12 0.01 -0.27 -4.97 113.70 110.29 2wr2 s SER 212 Ca -0.04 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2wr2 s SER 212 Cb -0.13 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 2wr2 s SER 212 CO -0.03 0.18 -0.14 0.27 0.41 0.00 0.00 173.24 173.93 2wr2 s ILE 213 N -0.79 3.01 0.47 1.44 -5.25 -1.26 -0.84 121.20 117.98 2wr2 s ILE 213 Ca 0.08 -0.71 -0.24 0.00 -0.99 0.00 0.00 60.65 58.80 2wr2 s ILE 213 Cb -0.09 -2.22 -0.08 0.00 2.95 0.00 0.00 42.46 43.02 2wr2 s ILE 213 CO 0.02 0.55 1.18 -2.65 -1.79 0.00 0.00 174.94 172.25 2wr2 n PRO 214 N 2.99 1.61 -3.69 0.37 -0.02 -1.26 -4.99 135.00 130.01 2wr2 n PRO 214 Ca -0.18 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 2wr2 n PRO 214 Cb 0.52 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 2wr2 n PRO 214 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wr2 s GLU 215 N -2.35 2.33 -0.29 -0.52 2.02 -1.26 -5.02 118.70 113.60 2wr2 s GLU 215 Ca 0.65 -1.65 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 2wr2 s GLU 215 Cb -0.49 -3.68 -0.00 0.00 0.10 0.00 0.00 34.13 30.06 2wr2 s GLU 215 CO 0.55 -1.02 0.80 0.42 0.02 0.00 0.00 175.26 176.03 2wr2 s ILE 216 N 1.29 4.80 -0.10 -1.63 1.01 -1.26 -3.83 121.20 121.47 2wr2 s ILE 216 Ca 0.05 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 2wr2 s ILE 216 Cb -0.23 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.20 2wr2 s ILE 216 CO -0.01 -0.21 0.87 0.00 0.00 0.00 0.00 174.94 175.58 2wr2 s ALA 217 N 2.95 -1.86 0.04 9.38 0.00 -0.93 -4.91 121.76 126.42 2wr2 s ALA 217 Ca 0.33 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 2wr2 s ALA 217 Cb -0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 2wr2 s ALA 217 CO 0.11 -0.37 1.28 0.99 0.00 0.00 0.00 175.76 177.78 2wr2 s THR 218 N -1.33 3.87 0.03 0.00 2.01 -1.13 -4.23 115.64 114.86 2wr2 s THR 218 Ca -0.05 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 2wr2 s THR 218 Cb -0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2wr2 s THR 218 CO 0.04 0.06 -0.03 -0.13 -0.69 0.00 0.00 174.62 173.87 2wr2 s ARG 219 N 1.56 0.46 0.26 4.92 0.52 -1.26 -5.12 118.95 120.28 2wr2 s ARG 219 Ca 0.60 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2wr2 s ARG 219 Cb -0.30 0.16 -0.14 0.00 0.52 0.00 0.00 34.95 35.19 2wr2 s ARG 219 CO 0.28 -0.08 1.29 -2.30 0.02 0.00 0.00 175.30 174.51 2wr2 n PRO 220 N 0.88 1.84 -2.05 3.54 -0.02 -1.26 -4.57 135.00 133.36 2wr2 n PRO 220 Ca -0.19 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2wr2 n PRO 220 Cb 0.58 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 2wr2 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr2 s LYS 221 N -0.91 4.30 -0.08 -0.52 1.02 -1.26 -4.59 119.74 117.70 2wr2 s LYS 221 Ca 0.64 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.91 2wr2 s LYS 221 Cb -0.66 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2wr2 s LYS 221 CO 0.54 -0.32 -0.06 0.08 -0.92 0.00 0.00 175.35 174.67 2wr2 s VAL 222 N -0.60 0.82 -1.58 3.17 1.01 0.19 -4.65 120.40 118.77 2wr2 s VAL 222 Ca 0.54 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 2wr2 s VAL 222 Cb -0.41 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.23 2wr2 s VAL 222 CO 0.49 0.32 0.87 0.59 0.00 0.00 0.00 175.10 177.37 2wr2 n ASN 223 N 4.64 -4.26 0.00 3.32 3.02 -1.26 -1.36 115.26 119.36 2wr2 n ASN 223 Ca -0.15 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2wr2 n ASN 223 Cb 0.50 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 2wr2 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr2 n GLY 224 N -1.54 2.49 3.64 7.41 0.00 -1.26 -4.39 105.19 111.54 2wr2 n GLY 224 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2wr2 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr2 s GLN 225 N -0.15 3.05 0.09 1.61 -1.52 -0.47 -4.90 119.66 117.37 2wr2 s GLN 225 Ca 0.00 -0.44 0.19 0.00 -1.95 0.00 0.00 55.36 53.16 2wr2 s GLN 225 Cb 0.00 -2.78 -0.12 0.00 -0.22 0.00 0.00 33.01 29.89 2wr2 s GLN 225 CO 0.00 0.63 0.83 0.41 -0.25 0.00 0.00 175.29 176.90 2wr2 n GLY 226 N 2.37 -1.26 3.82 3.09 0.00 -1.26 -0.64 105.19 111.30 2wr2 n GLY 226 Ca -0.18 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2wr2 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr2 s GLY 227 N -4.65 1.69 0.00 -0.02 0.00 -1.26 -4.25 107.32 98.83 2wr2 s GLY 227 Ca -0.03 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 2wr2 s GLY 227 CO 0.82 -0.26 0.25 0.50 0.00 0.00 0.00 173.10 174.41 2wr2 s ARG 228 N -5.66 0.64 -0.18 2.90 1.81 -0.14 -4.71 118.95 113.60 2wr2 s ARG 228 Ca 0.71 -0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.41 2wr2 s ARG 228 Cb -0.07 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.73 2wr2 s ARG 228 CO 0.54 -0.18 -0.19 -1.64 -0.68 0.00 0.00 175.30 173.15 2wr2 s MET 229 N -1.59 2.98 -0.27 3.54 -1.94 -0.40 0.53 119.30 122.15 2wr2 s MET 229 Ca -0.12 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 52.89 2wr2 s MET 229 Cb -0.05 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 2wr2 s MET 229 CO 0.02 -0.22 0.27 -2.00 -0.01 0.00 0.00 175.02 173.08 2wr2 s GLU 230 N 1.29 4.00 -0.01 2.03 2.12 -0.61 -1.97 118.70 125.56 2wr2 s GLU 230 Ca 0.05 -0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.23 2wr2 s GLU 230 Cb -0.13 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2wr2 s GLU 230 CO -0.12 -0.18 0.07 -0.06 -0.54 0.00 0.00 175.26 174.42 2wr2 s PHE 231 N 1.78 3.25 0.20 5.30 0.08 -0.36 -0.91 117.98 127.32 2wr2 s PHE 231 Ca 0.11 0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.40 2wr2 s PHE 231 Cb -0.16 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2wr2 s PHE 231 CO 0.10 0.54 -0.07 -1.12 -0.10 0.00 0.00 175.22 174.57 2wr2 s SER 232 N -1.68 2.04 0.11 1.36 0.01 0.13 -0.56 113.70 115.10 2wr2 s SER 232 Ca 0.22 -1.11 0.01 0.00 1.31 0.00 0.00 55.95 56.38 2wr2 s SER 232 Cb -0.12 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2wr2 s SER 232 CO 0.13 -0.38 -0.03 -1.66 0.41 0.00 0.00 173.24 171.71 2wr2 s TRP 233 N -3.27 0.91 0.12 2.43 1.48 -1.26 -0.92 118.94 118.42 2wr2 s TRP 233 Ca 0.24 -1.00 -0.11 0.00 -1.06 0.00 0.00 56.10 54.16 2wr2 s TRP 233 Cb 0.03 -0.53 0.01 0.00 -1.16 0.00 0.00 33.47 31.82 2wr2 s TRP 233 CO 0.06 -0.24 0.29 -0.08 -4.06 0.00 0.00 176.95 172.91 2wr2 s THR 234 N -3.73 0.10 -0.28 0.66 -1.32 -0.55 -5.01 115.64 105.52 2wr2 s THR 234 Ca 0.15 -1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.53 2wr2 s THR 234 Cb 0.06 -1.37 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 2wr2 s THR 234 CO -0.03 -0.47 0.17 -0.76 -2.21 0.00 0.00 174.62 171.33 2wr2 s LEU 235 N -2.86 3.95 -0.23 9.08 1.43 -1.26 -1.78 118.68 127.01 2wr2 s LEU 235 Ca 0.06 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 2wr2 s LEU 235 Cb 0.03 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2wr2 s LEU 235 CO -0.09 -0.05 0.42 -0.22 0.23 0.00 0.00 176.35 176.63 2wr2 s LEU 236 N 1.74 4.11 0.73 1.79 2.96 0.83 -4.89 118.68 125.95 2wr2 s LEU 236 Ca 0.07 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 2wr2 s LEU 236 Cb -0.16 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.04 2wr2 s LEU 236 CO 0.10 -0.14 1.08 -1.61 -1.32 0.00 0.00 176.35 174.46 2wr2 s GLU 237 N 1.65 2.58 0.18 1.98 0.41 -1.26 -0.63 118.70 123.60 2wr2 s GLU 237 Ca 0.19 1.11 -0.33 0.00 -0.41 0.00 0.00 54.97 55.53 2wr2 s GLU 237 Cb -0.15 -1.94 -0.14 0.00 -1.78 0.00 0.00 34.13 30.12 2wr2 s GLU 237 CO 0.09 -1.39 1.53 0.25 -0.49 0.00 0.00 175.26 175.24 2wr2 n THR 238 N -3.24 0.22 -0.95 3.63 -2.24 -1.26 -2.06 114.28 108.37 2wr2 n THR 238 Ca 0.09 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2wr2 n THR 238 Cb 0.53 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2wr2 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr2 n TRP 239 N 3.02 0.00 -2.95 4.78 7.02 0.65 -4.99 117.44 124.96 2wr2 n TRP 239 Ca 0.16 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.38 2wr2 n TRP 239 Cb 0.29 -0.58 -0.00 0.00 -2.42 0.00 0.00 31.31 28.60 2wr2 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr2 s ASP 240 N -2.21 6.21 -0.05 -0.99 2.15 -0.88 -4.78 116.67 116.12 2wr2 s ASP 240 Ca 0.00 0.68 0.04 0.00 0.43 0.00 0.00 52.55 53.70 2wr2 s ASP 240 Cb 0.00 -2.08 -0.03 0.00 -0.30 0.00 0.00 42.92 40.51 2wr2 s ASP 240 CO 0.00 -0.50 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.67 2wr2 s VAL 241 N -2.57 3.05 -0.13 1.11 1.01 -1.26 -1.34 120.40 120.28 2wr2 s VAL 241 Ca 0.45 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2wr2 s VAL 241 Cb -0.10 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2wr2 s VAL 241 CO 0.41 0.59 -0.04 -0.51 0.00 0.00 0.00 175.10 175.54 2wr2 s ILE 242 N -0.73 3.88 -0.15 2.22 2.07 -0.80 -4.21 121.20 123.48 2wr2 s ILE 242 Ca 0.11 -0.38 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2wr2 s ILE 242 Cb -0.11 -2.66 0.00 0.00 0.13 0.00 0.00 42.46 39.83 2wr2 s ILE 242 CO 0.01 0.53 -0.18 0.20 -1.91 0.00 0.00 174.94 173.59 2wr2 s ASN 243 N -0.07 3.47 -0.10 4.50 -0.87 0.25 -2.06 114.94 120.05 2wr2 s ASN 243 Ca 0.02 -0.51 -0.03 0.00 -1.57 0.00 0.00 52.86 50.76 2wr2 s ASN 243 Cb -0.13 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.25 39.54 2wr2 s ASN 243 CO 0.03 0.09 0.02 -0.36 -2.57 0.00 0.00 177.10 174.30 2wr2 s PHE 244 N 0.80 3.20 -0.12 2.20 0.08 -0.40 -1.74 117.98 122.00 2wr2 s PHE 244 Ca -0.06 0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 2wr2 s PHE 244 Cb -0.15 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2wr2 s PHE 244 CO -0.00 0.42 0.28 -2.00 -0.10 0.00 0.00 175.22 173.81 2wr2 s GLU 245 N -0.66 0.24 -0.15 0.44 2.12 0.18 -2.51 118.70 118.35 2wr2 s GLU 245 Ca 0.11 0.58 -0.15 0.00 0.36 0.00 0.00 54.97 55.87 2wr2 s GLU 245 Cb -0.12 -0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.21 2wr2 s GLU 245 CO 0.02 -0.16 0.41 0.45 -0.54 0.00 0.00 175.26 175.44 2wr2 s SER 246 N 1.30 -0.43 -0.04 -1.70 0.15 -0.13 0.46 113.70 113.31 2wr2 s SER 246 Ca -0.09 0.80 0.18 0.00 0.70 0.00 0.00 55.95 57.54 2wr2 s SER 246 Cb -0.10 0.82 0.57 0.00 -1.71 0.00 0.00 66.02 65.60 2wr2 s SER 246 CO -0.09 -0.16 1.48 0.35 1.20 0.00 0.00 173.24 176.01 2wr2 n THR 247 N 2.76 1.30 0.00 6.45 -2.24 -0.97 -0.87 114.28 120.72 2wr2 n THR 247 Ca -0.14 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 2wr2 n THR 247 Cb 0.57 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2wr2 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 248 N 1.07 3.88 2.08 3.38 0.00 -1.25 -4.76 105.19 109.58 2wr2 n GLY 248 Ca 0.21 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wr2 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr2 n ASN 249 N 0.00 -0.99 -4.72 1.61 3.02 -1.26 -4.28 115.26 108.64 2wr2 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr2 n ASN 249 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2wr2 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr2 s LEU 250 N 0.00 4.41 -0.43 3.41 2.96 -1.26 -1.19 118.68 126.59 2wr2 s LEU 250 Ca 0.00 2.05 -0.07 0.00 -0.22 0.00 0.00 54.13 55.89 2wr2 s LEU 250 Cb 0.00 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.20 2wr2 s LEU 250 CO 0.00 -0.39 0.26 -0.63 -1.32 0.00 0.00 176.35 174.27 2wr2 s ILE 251 N 0.59 3.86 0.35 6.68 -1.09 -0.01 -3.60 121.20 127.98 2wr2 s ILE 251 Ca 0.55 -1.72 -0.14 0.00 -2.23 0.00 0.00 60.65 57.12 2wr2 s ILE 251 Cb -0.29 -3.50 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 2wr2 s ILE 251 CO 0.32 -0.63 0.75 0.00 -1.23 0.00 0.00 174.94 174.15 2wr2 s ALA 252 N 1.31 3.33 0.42 9.38 0.00 -0.61 -1.32 121.76 134.27 2wr2 s ALA 252 Ca 0.05 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 2wr2 s ALA 252 Cb -0.24 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2wr2 s ALA 252 CO -0.01 0.23 1.02 -1.25 0.00 0.00 0.00 175.76 175.75 2wr2 s PRO 253 N -3.25 4.10 -0.19 0.00 0.05 -1.25 -0.36 135.00 134.09 2wr2 s PRO 253 Ca 0.53 1.40 0.18 0.00 0.05 0.00 0.00 61.00 63.17 2wr2 s PRO 253 Cb -0.10 -2.38 -0.25 0.00 0.05 0.00 0.00 34.50 31.81 2wr2 s PRO 253 CO 0.22 -0.18 0.09 -1.91 0.05 0.00 0.00 177.00 175.27 2wr2 n GLU 254 N -0.36 0.69 -4.42 4.56 2.13 -0.69 -4.68 120.64 117.88 2wr2 n GLU 254 Ca 0.06 -0.02 -0.24 0.00 0.66 0.00 0.00 57.16 57.62 2wr2 n GLU 254 Cb 0.51 -1.52 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 2wr2 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr2 s TYR 255 N -2.54 2.42 0.34 4.31 2.02 -1.23 -1.22 117.35 121.45 2wr2 s TYR 255 Ca -0.10 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2wr2 s TYR 255 Cb 0.06 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 2wr2 s TYR 255 CO 0.83 0.66 0.09 0.20 -1.57 0.00 0.00 175.55 175.77 2wr2 s GLY 256 N -3.58 2.18 -0.23 0.71 0.00 0.06 -4.72 107.32 101.76 2wr2 s GLY 256 Ca 0.31 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2wr2 s GLY 256 CO 0.17 -1.77 -0.05 -1.36 0.00 0.00 0.00 173.10 170.09 2wr2 s PHE 257 N -3.37 2.26 0.13 1.90 0.08 -0.06 -0.75 117.98 118.18 2wr2 s PHE 257 Ca 0.33 -1.66 -0.31 0.00 0.12 0.00 0.00 56.93 55.41 2wr2 s PHE 257 Cb 0.06 -1.53 -0.10 0.00 -0.57 0.00 0.00 43.02 40.89 2wr2 s PHE 257 CO 0.15 -0.76 1.68 0.15 -0.10 0.00 0.00 175.22 176.34 2wr2 s LYS 258 N 1.44 4.18 -0.03 0.44 1.02 -0.29 -0.85 119.74 125.65 2wr2 s LYS 258 Ca -0.05 2.45 -0.00 0.00 0.02 0.00 0.00 55.97 58.38 2wr2 s LYS 258 Cb -0.19 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.77 2wr2 s LYS 258 CO -0.06 -0.73 0.03 -1.50 -0.92 0.00 0.00 175.35 172.17 2wr2 s ILE 259 N 1.99 -0.05 -0.07 2.17 2.07 -0.51 -1.33 121.20 125.48 2wr2 s ILE 259 Ca 0.75 0.25 0.06 0.00 -1.41 0.00 0.00 60.65 60.29 2wr2 s ILE 259 Cb -0.44 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 2wr2 s ILE 259 CO 0.33 0.11 -0.25 -0.44 -1.91 0.00 0.00 174.94 172.79 2wr2 s SER 260 N 1.30 3.08 0.14 4.50 0.01 0.30 -3.98 113.70 119.06 2wr2 s SER 260 Ca -0.06 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 56.74 2wr2 s SER 260 Cb -0.13 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 2wr2 s SER 260 CO -0.03 0.23 0.01 -0.54 0.41 0.00 0.00 173.24 173.32 2wr2 s LYS 261 N -0.05 2.49 -0.16 12.44 1.02 -1.26 0.35 119.74 134.58 2wr2 s LYS 261 Ca -0.07 -0.99 0.24 0.00 0.02 0.00 0.00 55.97 55.17 2wr2 s LYS 261 Cb -0.15 -2.45 0.48 0.00 -0.52 0.00 0.00 37.83 35.19 2wr2 s LYS 261 CO 0.05 0.49 1.14 -2.13 -0.92 0.00 0.00 175.35 173.97 2wr2 n ARG 262 N 0.12 1.06 0.00 1.68 3.00 -1.26 -4.89 116.66 116.36 2wr2 n ARG 262 Ca -0.10 -2.91 0.00 0.00 -0.00 0.00 0.00 57.85 54.84 2wr2 n ARG 262 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 32.03 2wr2 n ARG 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wr2 n GLY 263 N -0.16 1.34 3.54 5.14 0.00 -1.26 -5.08 105.19 108.70 2wr2 n GLY 263 Ca 0.07 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 2wr2 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr2 s SER 264 N 0.00 4.06 0.00 1.61 0.01 -1.26 -4.59 113.70 113.53 2wr2 s SER 264 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2wr2 s SER 264 Cb 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2wr2 s SER 264 CO 0.00 0.11 0.00 -0.24 0.41 0.00 0.00 173.24 173.52 2wr2 n SER 265 N 0.09 0.00 -3.26 2.44 2.88 -1.26 -4.90 113.62 109.60 2wr2 n SER 265 Ca -0.11 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.36 2wr2 n SER 265 Cb 0.56 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2wr2 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr2 s GLY 266 N 0.00 0.19 -0.16 0.46 0.00 -1.26 -4.73 107.32 101.82 2wr2 s GLY 266 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.09 2wr2 s GLY 266 CO 0.00 0.09 0.17 -0.42 0.00 0.00 0.00 173.10 172.94 2wr2 s ILE 267 N -2.75 5.42 -0.12 0.90 1.01 -1.26 -2.42 121.20 121.97 2wr2 s ILE 267 Ca 0.15 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 2wr2 s ILE 267 Cb -0.05 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2wr2 s ILE 267 CO 0.09 0.51 -0.09 -0.32 0.00 0.00 0.00 174.94 175.13 2wr2 s MET 268 N -0.22 3.32 -0.40 2.79 -2.45 0.97 -4.79 119.30 118.52 2wr2 s MET 268 Ca 0.12 -0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 53.85 2wr2 s MET 268 Cb -0.12 -2.70 0.05 0.00 1.25 0.00 0.00 34.83 33.31 2wr2 s MET 268 CO 0.02 0.33 0.24 0.15 1.05 0.00 0.00 175.02 176.80 2wr2 s LYS 269 N 0.09 2.75 0.07 4.11 1.02 -1.26 -1.08 119.74 125.44 2wr2 s LYS 269 Ca -0.03 -1.25 -0.19 0.00 0.02 0.00 0.00 55.97 54.52 2wr2 s LYS 269 Cb -0.14 -3.78 0.04 0.00 -0.52 0.00 0.00 37.83 33.43 2wr2 s LYS 269 CO 0.04 -0.82 0.44 -0.08 -0.92 0.00 0.00 175.35 174.00 2wr2 s THR 270 N 1.51 0.05 -0.27 2.17 -1.32 -0.64 -4.82 115.64 112.33 2wr2 s THR 270 Ca 0.02 -0.42 0.19 0.00 -1.21 0.00 0.00 61.69 60.26 2wr2 s THR 270 Cb -0.21 -1.01 0.16 0.00 -1.51 0.00 0.00 72.50 69.92 2wr2 s THR 270 CO 0.05 -0.23 1.46 -0.33 -2.21 0.00 0.00 174.62 173.35 2wr2 h GLU 271 N 2.76 0.00 -6.98 7.08 4.39 -1.89 -3.36 114.58 116.58 2wr2 h GLU 271 Ca -0.32 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.83 2wr2 h GLU 271 Cb 1.22 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 30.06 2wr2 h GLU 271 CO 0.44 0.27 0.06 1.63 -1.16 0.00 0.00 179.01 180.25 2wr2 n LYS 272 N -3.13 0.32 -4.44 2.33 5.02 -1.26 -5.05 118.16 111.95 2wr2 n LYS 272 Ca 0.02 0.17 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2wr2 n LYS 272 Cb 0.65 -2.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.35 2wr2 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr2 s THR 273 N -1.96 2.04 0.11 -0.18 -4.23 -1.26 -5.02 115.64 105.14 2wr2 s THR 273 Ca 0.71 -2.25 -0.31 0.00 -1.18 0.00 0.00 61.69 58.66 2wr2 s THR 273 Cb -0.32 -2.34 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 2wr2 s THR 273 CO 0.53 -0.39 1.75 -0.22 -0.54 0.00 0.00 174.62 175.74 2wr2 s LEU 274 N -3.46 4.38 0.00 4.79 2.96 -1.26 -4.17 118.68 121.92 2wr2 s LEU 274 Ca 0.28 2.66 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 2wr2 s LEU 274 Cb -0.00 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.16 2wr2 s LEU 274 CO 0.12 -0.95 0.31 -0.62 -1.32 0.00 0.00 176.35 173.89 2wr2 n GLU 275 N 5.43 0.87 -3.35 1.98 -0.58 0.58 -4.98 120.64 120.59 2wr2 n GLU 275 Ca 0.17 -1.29 -0.41 0.00 -0.42 0.00 0.00 57.16 55.20 2wr2 n GLU 275 Cb 0.39 -0.07 -0.02 0.00 -0.57 0.00 0.00 31.44 31.17 2wr2 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2wr2 n ASN 276 N -2.64 5.27 -4.02 1.62 5.15 -1.26 -4.66 115.26 114.72 2wr2 n ASN 276 Ca 0.06 -3.17 -0.10 0.00 -0.60 0.00 0.00 54.58 50.78 2wr2 n ASN 276 Cb 0.25 -1.23 -0.06 0.00 -0.53 0.00 0.00 39.78 38.21 2wr2 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr2 s GLU 278 N -4.03 1.31 0.09 0.00 2.56 -1.26 -1.62 118.70 115.74 2wr2 s GLU 278 Ca 0.24 -1.02 -0.16 0.00 0.00 0.00 0.00 54.97 54.03 2wr2 s GLU 278 Cb 0.01 -1.48 0.03 0.00 2.00 0.00 0.00 34.13 34.69 2wr2 s GLU 278 CO 0.09 0.37 0.39 -0.08 -0.56 0.00 0.00 175.26 175.46 2wr2 s THR 279 N -0.92 0.07 -0.71 -1.70 -1.32 -0.54 -4.93 115.64 105.59 2wr2 s THR 279 Ca 0.07 -0.57 0.21 0.00 -1.21 0.00 0.00 61.69 60.20 2wr2 s THR 279 Cb -0.09 -1.09 -0.25 0.00 -1.51 0.00 0.00 72.50 69.57 2wr2 s THR 279 CO 0.03 -0.32 0.81 0.29 -2.21 0.00 0.00 174.62 173.22 2wr2 n LYS 280 N 0.10 0.20 -3.62 7.08 4.01 -1.26 -1.88 118.16 122.78 2wr2 n LYS 280 Ca -0.17 -0.05 -0.16 0.00 -0.51 0.00 0.00 58.31 57.41 2wr2 n LYS 280 Cb 0.62 -1.51 -0.14 0.00 -0.51 0.00 0.00 35.03 33.49 2wr2 n LYS 280 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wr2 s GLN 282 N 2.34 2.60 0.11 0.00 2.00 0.17 -1.56 119.66 125.32 2wr2 s GLN 282 Ca 0.03 -0.67 0.07 0.00 -2.00 0.00 0.00 55.36 52.79 2wr2 s GLN 282 Cb -0.13 -2.51 -0.04 0.00 0.80 0.00 0.00 33.01 31.14 2wr2 s GLN 282 CO -0.08 0.62 -0.17 0.99 -0.50 0.00 0.00 175.29 176.15 2wr2 s THR 283 N -0.91 1.48 -0.07 -0.34 2.01 -0.94 -1.10 115.64 115.77 2wr2 s THR 283 Ca 0.15 -1.59 0.26 0.00 0.31 0.00 0.00 61.69 60.82 2wr2 s THR 283 Cb -0.11 -1.48 0.27 0.00 0.01 0.00 0.00 72.50 71.19 2wr2 s THR 283 CO 0.05 -0.24 1.80 -0.65 -0.69 0.00 0.00 174.62 174.89 2wr2 h PRO 284 N 3.85 0.00 0.00 4.92 0.11 -1.90 -2.22 132.00 136.76 2wr2 h PRO 284 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wr2 h PRO 284 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wr2 h PRO 284 CO 0.44 0.00 -1.60 1.28 -0.21 0.00 0.00 178.00 177.92 2wr2 n LEU 285 N -2.42 0.33 0.00 2.35 4.77 -1.26 -4.81 117.00 115.95 2wr2 n LEU 285 Ca -0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wr2 n LEU 285 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wr2 n LEU 285 CO 0.13 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2wr2 n GLY 286 N 1.27 2.91 3.76 -0.72 0.00 -0.83 -4.07 105.19 107.51 2wr2 n GLY 286 Ca -0.02 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2wr2 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s ALA 287 N -2.00 3.37 -0.13 4.61 0.00 -0.80 -2.22 121.76 124.59 2wr2 s ALA 287 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.41 2wr2 s ALA 287 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2wr2 s ALA 287 CO 0.00 0.24 0.14 0.42 0.00 0.00 0.00 175.76 176.56 2wr2 s ILE 288 N -1.19 5.48 -0.34 0.00 1.01 -0.60 -1.34 121.20 124.21 2wr2 s ILE 288 Ca 0.40 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 2wr2 s ILE 288 Cb -0.25 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 38.93 2wr2 s ILE 288 CO 0.30 0.58 0.20 0.21 0.00 0.00 0.00 174.94 176.23 2wr2 s ASN 289 N -0.74 3.10 0.09 3.58 2.47 -1.26 -4.12 114.94 118.06 2wr2 s ASN 289 Ca 0.14 -2.06 -0.11 0.00 0.42 0.00 0.00 52.86 51.25 2wr2 s ASN 289 Cb -0.12 -0.43 0.01 0.00 -1.45 0.00 0.00 41.25 39.26 2wr2 s ASN 289 CO 0.03 -0.33 0.25 0.28 -3.72 0.00 0.00 177.10 173.61 2wr2 s THR 290 N 1.21 0.12 -0.56 -5.21 -1.32 -1.26 -5.03 115.64 103.59 2wr2 s THR 290 Ca 0.16 -0.97 0.20 0.00 -1.21 0.00 0.00 61.69 59.87 2wr2 s THR 290 Cb -0.22 -1.24 -0.25 0.00 -1.51 0.00 0.00 72.50 69.28 2wr2 s THR 290 CO -0.05 -0.54 0.67 0.35 -2.21 0.00 0.00 174.62 172.84 2wr2 n THR 291 N 0.00 0.00 -1.34 5.08 -2.24 -1.26 -5.00 114.28 109.51 2wr2 n THR 291 Ca -0.16 -0.21 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 2wr2 n THR 291 Cb 0.62 0.61 0.07 0.00 -2.10 0.00 0.00 70.33 69.53 2wr2 n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wr2 n LEU 292 N -1.76 1.96 0.10 3.22 4.77 -1.26 -4.93 117.00 119.10 2wr2 n LEU 292 Ca 0.01 0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2wr2 n LEU 292 Cb 0.39 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 2wr2 n LEU 292 CO 0.41 -2.65 0.27 -0.65 -1.33 0.00 0.00 177.39 173.44 2wr2 h PRO 293 N -0.20 0.00 -5.54 3.23 0.11 -1.86 -3.43 132.00 124.31 2wr2 h PRO 293 Ca -0.46 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.21 2wr2 h PRO 293 Cb 1.35 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.27 2wr2 h PRO 293 CO 0.45 0.66 -0.77 -0.06 -0.21 0.00 0.00 178.00 178.07 2wr2 s PHE 294 N -2.86 1.48 0.09 0.65 0.08 -1.23 -0.67 117.98 115.52 2wr2 s PHE 294 Ca 0.02 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 2wr2 s PHE 294 Cb 0.08 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 2wr2 s PHE 294 CO 0.78 0.17 0.29 -3.38 -0.10 0.00 0.00 175.22 172.97 2wr2 s HIS 295 N -1.99 -0.02 -0.06 0.36 -3.43 -0.68 -0.05 115.29 109.42 2wr2 s HIS 295 Ca 0.09 -0.30 0.08 0.00 -0.80 0.00 0.00 55.06 54.13 2wr2 s HIS 295 Cb -0.06 0.08 0.13 0.00 -1.43 0.00 0.00 32.58 31.30 2wr2 s HIS 295 CO 0.04 -0.59 1.04 0.27 -2.00 0.00 0.00 174.74 173.50 2wr2 n ASN 296 N 0.03 1.16 -0.03 7.38 6.94 -1.16 -1.66 115.26 127.93 2wr2 n ASN 296 Ca -0.16 -2.42 -0.13 0.00 -0.02 0.00 0.00 54.58 51.85 2wr2 n ASN 296 Cb 0.62 -0.28 -0.08 0.00 -2.36 0.00 0.00 39.78 37.68 2wr2 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr2 h ILE 297 N 3.24 1.32 -1.42 1.53 2.04 -1.89 -3.48 117.51 118.85 2wr2 h ILE 297 Ca 0.00 -1.02 0.10 0.00 1.00 0.00 0.00 64.86 64.94 2wr2 h ILE 297 Cb 1.14 1.88 -0.28 0.00 -0.74 0.00 0.00 36.82 38.82 2wr2 h ILE 297 CO 0.00 0.28 0.60 -2.28 0.00 0.00 0.00 178.15 176.75 2wr2 s HIS 298 N -4.57 -0.33 0.21 1.37 5.04 -1.26 -5.02 115.29 110.72 2wr2 s HIS 298 Ca -0.15 0.82 -0.00 0.00 -1.54 0.00 0.00 55.06 54.18 2wr2 s HIS 298 Cb 0.04 0.40 0.16 0.00 0.04 0.00 0.00 32.58 33.22 2wr2 s HIS 298 CO 0.70 -0.16 1.52 -1.00 -2.34 0.00 0.00 174.74 173.46 2wr2 h PRO 299 N 3.83 0.43 -4.72 2.88 0.14 -1.98 -3.39 132.00 129.19 2wr2 h PRO 299 Ca -0.28 -0.28 -0.73 0.00 0.14 0.00 0.00 66.00 64.85 2wr2 h PRO 299 Cb 1.18 0.04 -0.16 0.00 0.14 0.00 0.00 31.00 32.20 2wr2 h PRO 299 CO 0.13 0.89 1.62 1.28 0.14 0.00 0.00 178.00 182.07 2wr2 n LEU 300 N -3.92 5.42 -5.01 1.56 4.77 -1.26 -4.84 117.00 113.73 2wr2 n LEU 300 Ca -0.03 -4.40 -0.17 0.00 -0.03 0.00 0.00 56.01 51.38 2wr2 n LEU 300 Cb 0.61 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 2wr2 n LEU 300 CO 0.46 0.75 0.15 0.42 -1.33 0.00 0.00 177.39 177.84 2wr2 s THR 301 N 1.82 3.02 -0.07 -5.08 -4.23 -1.26 -4.30 115.64 105.54 2wr2 s THR 301 Ca 0.44 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 2wr2 s THR 301 Cb 0.00 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 70.87 2wr2 s THR 301 CO 0.01 -0.00 0.13 -0.63 -0.54 0.00 0.00 174.62 173.58 2wr2 s ILE 302 N -2.35 -0.19 -4.14 2.99 1.01 -0.26 -1.48 121.20 116.78 2wr2 s ILE 302 Ca 0.55 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.56 2wr2 s ILE 302 Cb -0.10 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2wr2 s ILE 302 CO 0.33 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2wr2 n GLY 303 N 5.18 0.77 3.32 6.18 0.00 -0.76 -0.65 105.19 119.22 2wr2 n GLY 303 Ca -0.07 -1.80 -0.46 0.00 0.00 0.00 0.00 46.02 43.69 2wr2 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr2 s GLU 304 N -1.66 3.29 0.15 1.61 2.02 0.29 -1.23 118.70 123.18 2wr2 s GLU 304 Ca 0.00 -2.10 0.07 0.00 0.02 0.00 0.00 54.97 52.96 2wr2 s GLU 304 Cb 0.00 -4.35 -0.04 0.00 0.10 0.00 0.00 34.13 29.84 2wr2 s GLU 304 CO 0.00 -1.31 -0.03 0.00 0.02 0.00 0.00 175.26 173.95 2wr2 s PRO 306 N -2.68 -0.23 -0.02 0.00 0.02 -1.26 -4.70 135.00 126.12 2wr2 s PRO 306 Ca 0.26 1.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 2wr2 s PRO 306 Cb -0.10 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.78 2wr2 s PRO 306 CO 0.17 -3.33 0.96 0.15 -0.33 0.00 0.00 177.00 174.62 2wr2 s LYS 307 N -4.54 4.53 0.08 5.54 -0.14 0.16 -4.72 119.74 120.65 2wr2 s LYS 307 Ca 0.68 1.37 -0.30 0.00 -1.36 0.00 0.00 55.97 56.35 2wr2 s LYS 307 Cb -0.24 -3.47 -0.05 0.00 -1.68 0.00 0.00 37.83 32.39 2wr2 s LYS 307 CO 0.62 -0.07 1.06 -0.47 -0.76 0.00 0.00 175.35 175.73 2wr2 s TYR 308 N 1.11 3.62 0.15 3.18 5.04 -1.26 -1.69 117.35 127.50 2wr2 s TYR 308 Ca 0.50 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.75 2wr2 s TYR 308 Cb -0.20 -3.22 -0.04 0.00 0.35 0.00 0.00 41.96 38.84 2wr2 s TYR 308 CO 0.26 -0.43 -0.03 0.14 -1.34 0.00 0.00 175.55 174.15 2wr2 s VAL 309 N 0.52 0.72 -1.73 3.14 -7.23 -0.67 -4.71 120.40 110.43 2wr2 s VAL 309 Ca 0.52 -1.97 0.30 0.00 -1.81 0.00 0.00 61.98 59.02 2wr2 s VAL 309 Cb -0.26 -1.96 0.61 0.00 0.56 0.00 0.00 36.38 35.33 2wr2 s VAL 309 CO 0.30 -0.62 2.02 0.29 -0.31 0.00 0.00 175.10 176.77 2wr2 n LYS 310 N -0.17 0.76 -2.19 4.82 5.02 -1.26 -4.48 118.16 120.66 2wr2 n LYS 310 Ca -0.09 -0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 2wr2 n LYS 310 Cb 0.62 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 2wr2 n LYS 310 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wr2 s SER 311 N -2.34 5.94 0.00 4.39 1.04 -1.26 -4.99 113.70 116.48 2wr2 s SER 311 Ca 0.35 1.08 0.12 0.00 0.48 0.00 0.00 55.95 57.97 2wr2 s SER 311 Cb 0.21 -2.13 0.13 0.00 0.10 0.00 0.00 66.02 64.32 2wr2 s SER 311 CO 0.43 -0.93 0.93 -0.90 0.98 0.00 0.00 173.24 173.75 2wr2 n ASP 312 N -2.64 2.13 -3.48 7.02 5.68 -1.26 -4.74 116.55 119.26 2wr2 n ASP 312 Ca 0.04 -1.57 0.01 0.00 -0.50 0.00 0.00 54.79 52.77 2wr2 n ASP 312 Cb 0.56 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 2wr2 n ASP 312 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2wr2 s ARG 313 N -0.98 0.48 -0.50 0.11 3.52 -1.26 -5.08 118.95 115.24 2wr2 s ARG 313 Ca 0.15 1.13 0.04 0.00 -0.13 0.00 0.00 55.73 56.92 2wr2 s ARG 313 Cb 0.10 0.68 0.16 0.00 -1.56 0.00 0.00 34.95 34.33 2wr2 s ARG 313 CO 0.15 -0.24 0.35 -0.51 -0.81 0.00 0.00 175.30 174.24 2wr2 s LEU 314 N 2.77 2.70 -0.28 -0.88 1.43 -1.26 -5.04 118.68 118.11 2wr2 s LEU 314 Ca -0.01 -3.13 -0.09 0.00 -1.03 0.00 0.00 54.13 49.87 2wr2 s LEU 314 Cb -0.11 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 2wr2 s LEU 314 CO -0.18 -0.18 0.13 -0.69 0.23 0.00 0.00 176.35 175.66 2wr2 s VAL 315 N -0.24 4.62 0.02 -1.59 1.01 -1.26 -1.71 120.40 121.25 2wr2 s VAL 315 Ca 0.26 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2wr2 s VAL 315 Cb -0.07 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2wr2 s VAL 315 CO -0.12 0.20 0.70 -0.76 0.00 0.00 0.00 175.10 175.12 2wr2 s LEU 316 N 1.64 4.43 0.28 3.92 1.43 -0.06 -4.65 118.68 125.67 2wr2 s LEU 316 Ca 0.06 1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 2wr2 s LEU 316 Cb -0.16 -3.11 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 2wr2 s LEU 316 CO 0.06 0.04 1.24 0.00 0.23 0.00 0.00 176.35 177.92 2wr2 s ALA 317 N -0.08 3.47 0.00 4.21 0.00 -1.26 -0.93 121.76 127.18 2wr2 s ALA 317 Ca 0.36 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2wr2 s ALA 317 Cb -0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2wr2 s ALA 317 CO 0.21 -0.45 0.00 0.25 0.00 0.00 0.00 175.76 175.77 2wr2 n THR 318 N 1.43 0.00 -1.86 0.00 -2.24 -0.96 -4.87 114.28 105.79 2wr2 n THR 318 Ca 0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 2wr2 n THR 318 Cb 0.43 -0.73 0.11 0.00 -2.10 0.00 0.00 70.33 68.04 2wr2 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 319 N 3.36 -0.72 3.49 3.38 0.00 -0.93 -4.93 105.19 108.84 2wr2 n GLY 319 Ca 0.00 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 2wr2 n GLY 319 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wr2 n LEU 320 N 0.00 0.00 -4.73 0.99 -0.00 -1.26 -4.66 117.00 107.34 2wr2 n LEU 320 Ca 0.10 -1.91 -0.42 0.00 -0.00 0.00 0.00 56.01 53.79 2wr2 n LEU 320 Cb 0.36 -0.57 -0.03 0.00 -0.00 0.00 0.00 43.42 43.18 2wr2 n LEU 320 CO 0.26 -0.93 1.15 -0.60 -0.00 0.00 0.00 177.39 177.27 2wr2 s ARG 321 N -4.81 4.25 -0.51 1.47 3.52 -1.26 -1.13 118.95 120.48 2wr2 s ARG 321 Ca 0.59 2.30 -0.23 0.00 -0.13 0.00 0.00 55.73 58.26 2wr2 s ARG 321 Cb -0.03 -3.14 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2wr2 s ARG 321 CO 0.39 -0.49 0.85 1.21 -0.81 0.00 0.00 175.30 176.45 2wr2 s ASN 322 N 0.73 6.35 -0.75 -2.12 2.47 0.13 -4.73 114.94 117.03 2wr2 s ASN 322 Ca 0.64 -0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.62 2wr2 s ASN 322 Cb -0.42 -2.40 0.21 0.00 -1.45 0.00 0.00 41.25 37.18 2wr2 s ASN 322 CO 0.37 -1.08 0.66 0.52 -3.72 0.00 0.00 177.10 173.85 2wr2 n VAL 323 N 6.12 2.28 -1.36 -5.21 0.31 -1.26 -4.82 118.33 114.38 2wr2 n VAL 323 Ca 0.01 -5.06 -0.35 0.00 -0.01 0.00 0.00 64.34 58.93 2wr2 n VAL 323 Cb 0.47 -2.20 0.10 0.00 -0.91 0.00 0.00 33.84 31.29 2wr2 n VAL 323 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wr2 n PRO 324 N 1.73 0.54 0.00 5.55 -0.02 -1.26 -0.93 135.00 140.61 2wr2 n PRO 324 Ca 0.23 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2wr2 n PRO 324 Cb 0.37 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2wr2 n PRO 324 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wr2 n GLN 325 N -2.28 0.00 0.00 -0.52 7.27 -1.26 -4.73 117.38 115.86 2wr2 n GLN 325 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.21 2wr2 n GLN 325 Cb 0.49 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.14 2wr2 n GLN 325 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wr2 n GLY 330 N 0.00 4.25 0.29 1.69 0.00 -1.26 -5.00 105.19 105.16 2wr2 n GLY 330 Ca 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.60 2wr2 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr2 h LEU 331 N 0.00 0.00 -0.57 0.99 3.38 -1.94 -3.09 115.31 114.08 2wr2 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr2 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wr2 h LEU 331 CO 0.00 0.00 -0.57 0.49 0.09 0.00 0.00 178.44 178.45 2wr2 n PHE 332 N -4.21 0.00 -0.97 1.13 3.72 -1.26 -5.00 117.46 110.88 2wr2 n PHE 332 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wr2 n PHE 332 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2wr2 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr2 n GLY 333 N 1.33 0.57 0.02 1.37 0.00 -1.17 -4.91 105.19 102.40 2wr2 n GLY 333 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2wr2 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 n ALA 334 N 1.00 0.16 -1.71 4.61 0.00 -1.26 -1.28 120.51 122.03 2wr2 n ALA 334 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 2wr2 n ALA 334 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2wr2 n ALA 334 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wr2 n ILE 335 N -3.00 0.16 -1.94 0.00 5.41 -1.26 -0.21 119.36 118.53 2wr2 n ILE 335 Ca -0.03 -0.04 -0.06 0.00 1.00 0.00 0.00 62.75 63.63 2wr2 n ILE 335 Cb 0.09 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.18 2wr2 n ILE 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wr2 n ALA 336 N 3.51 -0.57 -2.31 -1.39 0.00 -1.19 -4.55 120.51 114.02 2wr2 n ALA 336 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wr2 n ALA 336 Cb 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2wr2 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr2 n GLY 337 N -0.42 1.37 0.24 0.00 0.00 0.71 -4.91 105.19 102.18 2wr2 n GLY 337 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2wr2 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr2 h PHE 338 N 0.00 0.00 -3.42 1.61 -5.15 -1.11 -3.33 116.94 105.54 2wr2 h PHE 338 Ca 0.00 0.00 -0.77 0.00 -0.20 0.00 0.00 57.97 57.00 2wr2 h PHE 338 Cb 0.00 0.00 -0.26 0.00 0.22 0.00 0.00 35.95 35.91 2wr2 h PHE 338 CO 0.00 0.03 -0.11 0.42 -2.00 0.00 0.00 178.31 176.64 2wr2 s ILE 339 N -3.36 5.24 0.35 0.88 1.01 -0.97 -4.20 121.20 120.14 2wr2 s ILE 339 Ca 0.05 -1.97 0.10 0.00 0.00 0.00 0.00 60.65 58.83 2wr2 s ILE 339 Cb 0.06 -4.31 0.09 0.00 0.01 0.00 0.00 42.46 38.31 2wr2 s ILE 339 CO 0.63 -0.93 1.80 -0.33 0.00 0.00 0.00 174.94 176.12 2wr2 h GLU 340 N 8.33 0.10 -4.25 2.79 5.08 -1.81 -3.14 114.58 121.69 2wr2 h GLU 340 Ca -0.12 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2wr2 h GLU 340 Cb 1.07 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 2wr2 h GLU 340 CO 0.90 0.44 -0.60 0.20 -1.00 0.00 0.00 179.01 178.95 2wr2 s GLY 341 N -4.25 0.66 0.76 -3.84 0.00 -1.26 -4.36 107.32 95.03 2wr2 s GLY 341 Ca -0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.39 2wr2 s GLY 341 CO 0.74 -1.25 1.06 -0.32 0.00 0.00 0.00 173.10 173.33 2wr2 s GLY 342 N -2.98 1.76 -0.28 0.20 0.00 -0.10 -4.67 107.32 101.24 2wr2 s GLY 342 Ca 0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 2wr2 s GLY 342 CO -0.04 -0.85 -0.02 -0.98 0.00 0.00 0.00 173.10 171.21 2wr2 s TRP 343 N -3.30 3.18 0.61 1.90 0.51 0.44 -4.20 118.94 118.08 2wr2 s TRP 343 Ca 0.66 -1.70 0.38 0.00 -2.12 0.00 0.00 56.10 53.32 2wr2 s TRP 343 Cb -0.06 -2.10 2.13 0.00 -0.81 0.00 0.00 33.47 32.62 2wr2 s TRP 343 CO 0.46 -0.76 2.31 0.37 -0.51 0.00 0.00 176.95 178.81 2wr2 h GLN 344 N 8.02 0.00 -0.00 4.98 5.75 -1.88 -2.18 115.11 129.79 2wr2 h GLN 344 Ca -0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 2wr2 h GLN 344 Cb 1.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.63 2wr2 h GLN 344 CO 0.55 0.01 -0.29 0.41 -2.65 0.00 0.00 178.83 176.86 2wr2 n GLY 345 N -1.14 -1.18 3.32 2.39 0.00 -1.26 -4.59 105.19 102.73 2wr2 n GLY 345 Ca -0.03 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.25 2wr2 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr2 s MET 346 N -2.86 3.17 0.00 1.61 -2.45 -1.10 -4.87 119.30 112.80 2wr2 s MET 346 Ca 0.16 -1.88 0.20 0.00 -1.25 0.00 0.00 55.69 52.91 2wr2 s MET 346 Cb 0.18 -4.34 -0.15 0.00 1.25 0.00 0.00 34.83 31.77 2wr2 s MET 346 CO 0.60 -1.34 0.88 1.33 1.05 0.00 0.00 175.02 177.54 2wr2 n VAL 347 N 4.94 0.00 -1.34 10.11 0.24 -1.26 -4.46 118.33 126.55 2wr2 n VAL 347 Ca -0.06 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 2wr2 n VAL 347 Cb 0.42 1.07 0.19 0.00 -1.47 0.00 0.00 33.84 34.06 2wr2 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr2 n ASP 348 N -1.04 3.15 0.00 -1.34 5.75 -1.26 -5.00 116.55 116.80 2wr2 n ASP 348 Ca 0.05 -3.68 0.00 0.00 -0.01 0.00 0.00 54.79 51.15 2wr2 n ASP 348 Cb 0.34 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2wr2 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr2 n GLY 349 N -1.10 1.71 0.11 6.12 0.00 -1.26 -4.67 105.19 106.09 2wr2 n GLY 349 Ca 0.46 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 2wr2 n GLY 349 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wr2 h TRP 350 N 0.00 0.42 -3.73 1.61 6.55 -1.90 -3.40 115.95 115.50 2wr2 h TRP 350 Ca 0.00 -0.31 -0.29 0.00 0.95 0.00 0.00 58.89 59.24 2wr2 h TRP 350 Cb 0.00 -0.02 -0.17 0.00 -0.86 0.00 0.00 29.16 28.12 2wr2 h TRP 350 CO 0.00 1.32 -0.72 0.71 -1.05 0.00 0.00 178.44 178.70 2wr2 s TYR 351 N -2.63 1.00 -1.36 0.49 2.02 -1.26 0.04 117.35 115.66 2wr2 s TYR 351 Ca -0.07 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2wr2 s TYR 351 Cb 0.07 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 2wr2 s TYR 351 CO 0.86 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.21 2wr2 n GLY 352 N 0.36 -0.61 3.22 0.71 0.00 -0.68 -1.00 105.19 107.18 2wr2 n GLY 352 Ca -0.15 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2wr2 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 353 N -3.36 1.53 0.00 1.61 2.02 0.51 -1.18 117.35 118.48 2wr2 s TYR 353 Ca 0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2wr2 s TYR 353 Cb 0.00 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 2wr2 s TYR 353 CO 0.00 0.12 0.00 1.58 -1.57 0.00 0.00 175.55 175.68 2wr2 n HIS 354 N 1.40 0.00 -0.49 2.71 -0.00 -0.72 -1.46 115.22 116.66 2wr2 n HIS 354 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2wr2 n HIS 354 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2wr2 n HIS 354 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2wr2 n HIS 355 N -1.22 -0.18 -4.93 1.57 -0.00 -1.26 -3.89 115.22 105.31 2wr2 n HIS 355 Ca 0.00 0.11 -0.33 0.00 -0.00 0.00 0.00 57.72 57.50 2wr2 n HIS 355 Cb 0.00 -1.99 -0.15 0.00 -0.00 0.00 0.00 29.99 27.84 2wr2 n HIS 355 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2wr2 s SER 356 N -0.16 3.70 0.33 4.39 0.15 -0.07 -2.19 113.70 119.84 2wr2 s SER 356 Ca 0.00 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.28 2wr2 s SER 356 Cb 0.00 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2wr2 s SER 356 CO 0.00 0.17 0.16 0.21 1.20 0.00 0.00 173.24 174.97 2wr2 s ASN 357 N 0.32 1.81 0.50 5.45 3.84 -1.07 -2.21 114.94 123.59 2wr2 s ASN 357 Ca -0.13 -1.58 0.29 0.00 0.21 0.00 0.00 52.86 51.65 2wr2 s ASN 357 Cb -0.17 0.39 1.02 0.00 -0.55 0.00 0.00 41.25 41.94 2wr2 s ASN 357 CO 0.07 -0.89 1.86 0.44 -2.79 0.00 0.00 177.10 175.78 2wr2 h ASP 358 N 2.13 0.00 -0.56 -4.21 3.32 -1.99 -3.01 116.42 112.10 2wr2 h ASP 358 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2wr2 h ASP 358 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2wr2 h ASP 358 CO 0.53 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 2wr2 n GLN 359 N -3.15 2.62 0.00 3.56 6.02 -1.26 -5.07 117.38 120.10 2wr2 n GLN 359 Ca 0.01 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 2wr2 n GLN 359 Cb 0.39 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2wr2 n GLN 359 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wr2 n GLY 360 N 1.60 0.55 1.26 1.08 0.00 -1.14 -5.10 105.19 103.45 2wr2 n GLY 360 Ca 0.22 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.78 2wr2 n GLY 360 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wr2 n SER 361 N 0.32 -7.55 0.00 1.61 7.64 -1.26 -2.59 113.62 111.79 2wr2 n SER 361 Ca 0.00 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.57 2wr2 n SER 361 Cb 0.00 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 2wr2 n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr2 n GLY 362 N -3.95 -0.49 3.18 0.23 0.00 -0.93 -4.42 105.19 98.80 2wr2 n GLY 362 Ca -0.01 -1.20 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2wr2 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 363 N -2.00 1.17 -0.29 1.61 2.02 -1.25 -4.06 117.35 114.55 2wr2 s TYR 363 Ca 0.00 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 2wr2 s TYR 363 Cb 0.00 -0.64 0.11 0.00 -0.40 0.00 0.00 41.96 41.03 2wr2 s TYR 363 CO 0.00 0.05 0.79 0.00 -1.57 0.00 0.00 175.55 174.82 2wr2 s ALA 364 N -1.81 -2.07 0.23 3.71 0.00 -0.54 -5.01 121.76 116.28 2wr2 s ALA 364 Ca 0.02 2.33 -0.15 0.00 0.00 0.00 0.00 51.96 54.16 2wr2 s ALA 364 Cb -0.07 -1.59 -0.08 0.00 0.00 0.00 0.00 23.12 21.38 2wr2 s ALA 364 CO 0.02 -0.46 0.65 0.00 0.00 0.00 0.00 175.76 175.97 2wr2 s ALA 365 N 1.72 3.46 -0.91 0.00 0.00 -1.26 -0.36 121.76 124.40 2wr2 s ALA 365 Ca -0.09 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 2wr2 s ALA 365 Cb -0.05 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.46 2wr2 s ALA 365 CO -0.18 0.40 1.35 0.34 0.00 0.00 0.00 175.76 177.67 2wr2 s ASP 366 N -1.96 6.38 0.22 0.00 2.15 -0.17 -4.89 116.67 118.40 2wr2 s ASP 366 Ca 0.45 -1.14 -0.07 0.00 0.43 0.00 0.00 52.55 52.22 2wr2 s ASP 366 Cb -0.13 -2.55 0.35 0.00 -0.30 0.00 0.00 42.92 40.29 2wr2 s ASP 366 CO 0.20 -1.59 1.75 0.11 -0.17 0.00 0.00 175.17 175.47 2wr2 h LYS 367 N 9.80 0.45 0.33 4.34 6.56 -1.91 -2.13 116.57 134.01 2wr2 h LYS 367 Ca 0.02 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2wr2 h LYS 367 Cb 1.03 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 2wr2 h LYS 367 CO 1.35 0.30 -0.16 1.49 -2.06 0.00 0.00 179.45 180.37 2wr2 h GLU 368 N 0.47 -0.43 -0.09 3.15 4.81 -1.98 0.37 114.58 120.88 2wr2 h GLU 368 Ca 0.35 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 2wr2 h GLU 368 Cb 0.46 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2wr2 h GLU 368 CO -0.33 -0.26 -0.14 0.77 -0.73 0.00 0.00 179.01 178.32 2wr2 h SER 369 N -0.47 -0.43 -0.47 1.04 0.02 -1.94 0.11 113.55 111.42 2wr2 h SER 369 Ca -0.05 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 2wr2 h SER 369 Cb 0.36 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2wr2 h SER 369 CO 0.07 -0.19 0.10 0.74 -1.14 0.00 0.00 176.83 176.42 2wr2 h THR 370 N -0.19 0.75 -0.65 -2.27 2.02 -1.21 -0.00 112.91 111.35 2wr2 h THR 370 Ca 0.08 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2wr2 h THR 370 Cb 0.30 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2wr2 h THR 370 CO -0.20 0.04 0.24 -0.61 0.37 0.00 0.00 175.52 175.36 2wr2 h GLN 371 N 0.24 0.99 -0.59 6.66 5.75 0.13 -0.14 115.11 128.14 2wr2 h GLN 371 Ca 0.23 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 2wr2 h GLN 371 Cb 0.30 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2wr2 h GLN 371 CO -0.30 0.84 0.05 -0.22 -2.65 0.00 0.00 178.83 176.56 2wr2 h LYS 372 N 0.93 0.99 -0.30 1.69 3.64 -0.58 -1.77 116.57 121.17 2wr2 h LYS 372 Ca 0.21 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2wr2 h LYS 372 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2wr2 h LYS 372 CO -0.01 0.94 0.10 0.00 -2.27 0.00 0.00 179.45 178.21 2wr2 h ALA 373 N 1.13 0.39 -0.89 5.00 0.00 -0.63 -1.37 119.26 122.89 2wr2 h ALA 373 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2wr2 h ALA 373 Cb 0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2wr2 h ALA 373 CO 0.02 0.01 0.58 0.27 0.00 0.00 0.00 179.25 180.12 2wr2 h PHE 374 N 0.33 1.08 -0.34 0.00 -0.00 -0.85 -1.25 116.94 115.91 2wr2 h PHE 374 Ca 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.08 2wr2 h PHE 374 Cb 0.22 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.95 35.79 2wr2 h PHE 374 CO 0.00 0.64 0.17 -0.44 -0.00 0.00 0.00 178.31 178.68 2wr2 h ASP 375 N 1.13 0.44 0.28 -0.68 3.32 -1.14 -1.60 116.42 118.18 2wr2 h ASP 375 Ca 0.35 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 2wr2 h ASP 375 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2wr2 h ASP 375 CO -0.11 0.43 -0.23 1.23 -1.72 0.00 0.00 179.24 178.85 2wr2 h GLY 376 N 0.42 -0.54 1.06 2.75 0.00 -0.86 -1.65 103.07 104.24 2wr2 h GLY 376 Ca 0.12 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.73 2wr2 h GLY 376 CO -0.02 -0.22 0.60 -2.22 0.00 0.00 0.00 176.54 174.69 2wr2 h ILE 377 N -0.53 1.21 -0.33 2.60 1.08 -1.22 -0.38 117.51 119.93 2wr2 h ILE 377 Ca -0.02 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2wr2 h ILE 377 Cb 0.47 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 2wr2 h ILE 377 CO -0.02 0.22 0.10 0.74 -0.69 0.00 0.00 178.15 178.50 2wr2 h THR 378 N 1.21 1.21 -0.80 -0.27 2.02 -1.19 -1.06 112.91 114.03 2wr2 h THR 378 Ca 0.35 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.86 2wr2 h THR 378 Cb -0.09 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2wr2 h THR 378 CO -0.09 0.23 0.52 0.78 0.37 0.00 0.00 175.52 177.33 2wr2 h ASN 379 N 0.39 0.87 0.49 4.18 2.35 -0.67 -0.31 115.58 122.86 2wr2 h ASN 379 Ca 0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2wr2 h ASN 379 Cb 0.26 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2wr2 h ASN 379 CO -0.00 0.61 -0.51 0.50 -1.65 0.00 0.00 177.43 176.38 2wr2 h LYS 380 N 1.02 -0.96 -0.33 0.81 3.64 -0.78 0.24 116.57 120.21 2wr2 h LYS 380 Ca 0.31 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 2wr2 h LYS 380 Cb -0.03 0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2wr2 h LYS 380 CO -0.10 -0.64 -0.02 0.28 -2.27 0.00 0.00 179.45 176.70 2wr2 h VAL 381 N -1.00 0.74 -0.34 2.00 2.07 -1.01 -1.69 116.25 117.02 2wr2 h VAL 381 Ca -0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2wr2 h VAL 381 Cb 0.87 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2wr2 h VAL 381 CO -0.07 0.01 0.04 0.78 0.02 0.00 0.00 177.57 178.35 2wr2 h ASN 382 N 0.07 0.47 0.11 0.57 2.35 -0.87 -2.59 115.58 115.69 2wr2 h ASN 382 Ca 0.16 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2wr2 h ASN 382 Cb 0.22 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2wr2 h ASN 382 CO -0.28 0.51 -0.07 0.28 -1.65 0.00 0.00 177.43 176.22 2wr2 h SER 383 N 0.49 -0.17 -0.44 5.81 0.02 0.38 0.31 113.55 119.96 2wr2 h SER 383 Ca 0.11 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2wr2 h SER 383 Cb 0.26 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2wr2 h SER 383 CO 0.00 -0.11 0.29 0.58 -1.14 0.00 0.00 176.83 176.45 2wr2 h VAL 384 N -0.18 1.05 0.03 2.27 2.07 -1.27 -2.58 116.25 117.65 2wr2 h VAL 384 Ca -0.01 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2wr2 h VAL 384 Cb 0.15 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2wr2 h VAL 384 CO 0.01 0.09 -0.43 0.40 0.02 0.00 0.00 177.57 177.66 2wr2 h ILE 385 N 0.49 1.55 0.00 4.57 2.04 -1.15 -3.40 117.51 121.62 2wr2 h ILE 385 Ca 0.17 -2.35 -0.11 0.00 1.00 0.00 0.00 64.86 63.57 2wr2 h ILE 385 Cb 0.09 3.12 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 2wr2 h ILE 385 CO -0.04 0.58 -0.53 -0.33 0.00 0.00 0.00 178.15 177.83 2wr2 h GLU 386 N -0.86 0.00 0.00 2.37 5.08 -0.34 -3.13 114.58 117.69 2wr2 h GLU 386 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wr2 h GLU 386 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wr2 h GLU 386 CO -0.01 0.53 0.00 1.63 -1.00 0.00 0.00 179.01 180.16 2wr2 n LYS 387 N -3.47 0.08 -2.52 2.33 4.76 -0.98 -4.74 118.16 113.62 2wr2 n LYS 387 Ca 0.00 0.18 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 2wr2 n LYS 387 Cb 0.64 -1.62 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 2wr2 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr2 s MET 388 N -3.07 4.23 -0.11 1.97 1.75 -1.19 -5.01 119.30 117.88 2wr2 s MET 388 Ca 0.10 1.52 -0.23 0.00 -1.25 0.00 0.00 55.69 55.83 2wr2 s MET 388 Cb 0.14 -3.72 -0.03 0.00 2.84 0.00 0.00 34.83 34.06 2wr2 s MET 388 CO 0.45 -0.69 0.69 1.21 -0.65 0.00 0.00 175.02 176.03 2wr2 s ASN 389 N 1.68 6.90 -0.07 1.11 2.47 -1.26 -5.07 114.94 120.70 2wr2 s ASN 389 Ca 0.50 1.09 0.02 0.00 0.42 0.00 0.00 52.86 54.89 2wr2 s ASN 389 Cb -0.19 -2.40 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 2wr2 s ASN 389 CO 0.11 -0.19 -0.11 0.28 -3.72 0.00 0.00 177.10 173.48 2wr2 s THR 390 N 1.25 3.37 0.06 -5.21 -1.32 -1.26 -5.04 115.64 107.49 2wr2 s THR 390 Ca 0.35 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 60.29 2wr2 s THR 390 Cb -0.17 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.43 2wr2 s THR 390 CO 0.15 0.58 -0.14 -1.10 -2.21 0.00 0.00 174.62 171.90 2wr2 s GLN 391 N -0.58 0.84 0.13 7.08 -0.21 -1.26 -5.00 119.66 120.67 2wr2 s GLN 391 Ca 0.08 -0.91 -0.31 0.00 0.02 0.00 0.00 55.36 54.24 2wr2 s GLN 391 Cb -0.12 -0.85 -0.10 0.00 1.00 0.00 0.00 33.01 32.95 2wr2 s GLN 391 CO 0.02 0.19 1.70 0.12 -2.12 0.00 0.00 175.29 175.20 2wr2 s PHE 392 N -1.18 2.58 -0.10 0.91 5.36 -1.26 -4.17 117.98 120.12 2wr2 s PHE 392 Ca -0.01 0.30 -0.19 0.00 -0.96 0.00 0.00 56.93 56.06 2wr2 s PHE 392 Cb -0.10 -4.05 0.04 0.00 -0.34 0.00 0.00 43.02 38.58 2wr2 s PHE 392 CO 0.02 -4.14 0.47 -1.83 -1.46 0.00 0.00 175.22 168.28 2wr2 s GLU 393 N 2.05 0.71 -0.33 10.12 -1.05 -0.36 -4.98 118.70 124.86 2wr2 s GLU 393 Ca 0.75 0.30 -0.03 0.00 -0.15 0.00 0.00 54.97 55.84 2wr2 s GLU 393 Cb -0.44 0.33 0.06 0.00 -0.44 0.00 0.00 34.13 33.63 2wr2 s GLU 393 CO 0.33 -0.16 0.06 0.00 0.95 0.00 0.00 175.26 176.44 2wr2 s ALA 394 N -0.58 2.93 0.01 -0.84 0.00 -1.26 -1.83 121.76 120.18 2wr2 s ALA 394 Ca -0.07 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 49.82 2wr2 s ALA 394 Cb -0.03 -2.11 -0.20 0.00 0.00 0.00 0.00 23.12 20.78 2wr2 s ALA 394 CO 0.04 -1.37 1.17 0.28 0.00 0.00 0.00 175.76 175.88 2wr2 h VAL 395 N 6.36 1.42 -3.21 0.00 2.07 -1.58 -3.44 116.25 117.86 2wr2 h VAL 395 Ca -0.21 -1.83 -0.53 0.00 0.82 0.00 0.00 66.70 64.95 2wr2 h VAL 395 Cb 1.07 2.39 0.03 0.00 -1.52 0.00 0.00 31.29 33.26 2wr2 h VAL 395 CO 0.58 0.53 0.71 -0.83 0.02 0.00 0.00 177.57 178.58 2wr2 s GLY 396 N -3.88 2.21 0.23 2.17 0.00 -1.26 -5.00 107.32 101.79 2wr2 s GLY 396 Ca -0.14 1.17 0.09 0.00 0.00 0.00 0.00 44.72 45.84 2wr2 s GLY 396 CO 0.79 2.24 -0.15 0.54 0.00 0.00 0.00 173.10 176.52 2wr2 s LYS 397 N 0.34 1.44 -0.21 2.90 -0.14 -1.26 -4.54 119.74 118.27 2wr2 s LYS 397 Ca 0.61 -1.65 -0.05 0.00 -1.36 0.00 0.00 55.97 53.52 2wr2 s LYS 397 Cb -0.38 -1.29 -0.02 0.00 -1.68 0.00 0.00 37.83 34.46 2wr2 s LYS 397 CO 0.36 0.21 -0.00 -1.21 -0.76 0.00 0.00 175.35 173.94 2wr2 s GLU 398 N -3.62 3.57 0.01 1.68 0.41 -1.26 -5.09 118.70 114.39 2wr2 s GLU 398 Ca 0.25 -0.54 0.05 0.00 -0.41 0.00 0.00 54.97 54.31 2wr2 s GLU 398 Cb -0.01 -3.08 -0.01 0.00 -1.78 0.00 0.00 34.13 29.24 2wr2 s GLU 398 CO 0.09 -0.04 -0.14 -0.06 -0.49 0.00 0.00 175.26 174.62 2wr2 s PHE 399 N 1.14 1.24 0.99 1.61 0.08 -1.26 -4.92 117.98 116.86 2wr2 s PHE 399 Ca 0.03 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.63 2wr2 s PHE 399 Cb -0.14 -0.77 0.23 0.00 -0.57 0.00 0.00 43.02 41.76 2wr2 s PHE 399 CO 0.01 0.00 1.35 -1.54 -0.10 0.00 0.00 175.22 174.95 2wr2 s SER 400 N -0.64 2.82 0.54 1.36 1.04 -1.26 -4.92 113.70 112.64 2wr2 s SER 400 Ca 0.04 0.16 0.29 0.00 0.48 0.00 0.00 55.95 56.92 2wr2 s SER 400 Cb -0.06 -0.11 1.55 0.00 0.10 0.00 0.00 66.02 67.49 2wr2 s SER 400 CO 0.00 -2.91 2.11 -1.13 0.98 0.00 0.00 173.24 172.29 2wr2 h ASN 401 N -1.77 0.00 -0.55 7.02 -1.24 -2.04 -2.23 115.58 114.77 2wr2 h ASN 401 Ca -0.44 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.45 2wr2 h ASN 401 Cb 1.21 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.19 2wr2 h ASN 401 CO 0.32 0.09 0.12 0.18 -1.29 0.00 0.00 177.43 176.85 2wr2 n LEU 402 N -3.62 5.32 -1.55 0.34 4.77 -1.26 -4.34 117.00 116.65 2wr2 n LEU 402 Ca -0.02 -3.17 -0.09 0.00 -0.03 0.00 0.00 56.01 52.70 2wr2 n LEU 402 Cb 0.21 -0.68 0.09 0.00 -2.33 0.00 0.00 43.42 40.71 2wr2 n LEU 402 CO 0.29 0.78 0.22 -0.62 -1.33 0.00 0.00 177.39 176.73 2wr2 n GLU 403 N -0.18 2.46 -0.32 3.23 1.02 -0.84 -4.83 120.64 121.18 2wr2 n GLU 403 Ca 0.33 -3.65 -0.04 0.00 -0.02 0.00 0.00 57.16 53.78 2wr2 n GLU 403 Cb 1.20 -1.82 0.08 0.00 -0.02 0.00 0.00 31.44 30.88 2wr2 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr2 h ARG 404 N 1.71 1.19 -0.61 3.49 -0.00 -1.76 -0.58 114.38 117.83 2wr2 h ARG 404 Ca 0.15 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.98 59.41 2wr2 h ARG 404 Cb 1.35 -0.25 -0.02 0.00 0.00 0.00 0.00 29.97 31.05 2wr2 h ARG 404 CO 0.39 0.85 -0.00 0.00 0.00 0.00 0.00 179.97 181.20 2wr2 h ARG 405 N 1.20 1.08 -0.34 0.04 3.08 -1.96 1.00 114.38 118.48 2wr2 h ARG 405 Ca 0.31 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2wr2 h ARG 405 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2wr2 h ARG 405 CO -0.06 1.05 -0.00 1.25 -1.07 0.00 0.00 179.97 181.14 2wr2 h LEU 406 N 0.98 0.59 -0.64 3.04 5.85 -1.85 -0.86 115.31 122.43 2wr2 h LEU 406 Ca 0.17 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2wr2 h LEU 406 Cb 0.57 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2wr2 h LEU 406 CO 0.03 0.75 0.40 -0.08 -0.34 0.00 0.00 178.44 179.21 2wr2 h GLU 407 N 0.40 0.78 -0.02 1.25 4.81 -0.89 -1.40 114.58 119.50 2wr2 h GLU 407 Ca 0.10 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2wr2 h GLU 407 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2wr2 h GLU 407 CO 0.02 0.52 -0.25 -0.97 -0.73 0.00 0.00 179.01 177.60 2wr2 h ASN 408 N 0.80 0.04 -0.35 1.04 -1.24 -0.59 -1.78 115.58 113.49 2wr2 h ASN 408 Ca 0.25 -0.01 -0.17 0.00 0.71 0.00 0.00 56.30 57.08 2wr2 h ASN 408 Cb -0.01 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 2wr2 h ASN 408 CO -0.09 0.29 -0.44 0.25 -1.29 0.00 0.00 177.43 176.14 2wr2 h LEU 409 N 0.04 1.00 -0.80 0.34 5.85 -0.14 -1.13 115.31 120.46 2wr2 h LEU 409 Ca 0.00 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2wr2 h LEU 409 Cb 0.46 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2wr2 h LEU 409 CO 0.03 1.29 0.39 -1.13 -0.34 0.00 0.00 178.44 178.69 2wr2 h ASN 410 N 0.74 1.04 -0.48 1.25 -1.24 -0.98 -2.02 115.58 113.89 2wr2 h ASN 410 Ca 0.05 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 56.82 2wr2 h ASN 410 Cb 1.05 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 2wr2 h ASN 410 CO 0.11 0.88 -0.12 0.50 -1.29 0.00 0.00 177.43 177.51 2wr2 h LYS 411 N 1.13 0.93 -0.53 6.67 3.64 -1.20 -1.77 116.57 125.44 2wr2 h LYS 411 Ca 0.28 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2wr2 h LYS 411 Cb 0.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2wr2 h LYS 411 CO -0.04 1.01 0.17 -0.22 -2.27 0.00 0.00 179.45 178.11 2wr2 h LYS 412 N 0.78 0.78 -0.14 1.90 3.64 -0.99 0.13 116.57 122.66 2wr2 h LYS 412 Ca 0.12 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wr2 h LYS 412 Cb 0.67 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2wr2 h LYS 412 CO 0.05 0.67 -0.10 1.98 -2.27 0.00 0.00 179.45 179.78 2wr2 h MET 413 N 0.77 0.32 -0.42 1.90 4.05 -1.13 0.06 114.93 120.48 2wr2 h MET 413 Ca 0.18 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2wr2 h MET 413 Cb 0.21 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2wr2 h MET 413 CO -0.01 0.67 0.23 0.93 0.23 0.00 0.00 176.91 178.96 2wr2 h GLU 414 N -0.03 0.59 -0.75 0.39 4.39 -0.99 -1.08 114.58 117.10 2wr2 h GLU 414 Ca 0.03 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2wr2 h GLU 414 Cb 0.59 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2wr2 h GLU 414 CO 0.03 0.48 0.36 -0.44 -1.16 0.00 0.00 179.01 178.27 2wr2 h ASP 415 N 0.55 0.96 0.04 1.42 3.32 -0.75 0.22 116.42 122.18 2wr2 h ASP 415 Ca 0.15 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wr2 h ASP 415 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2wr2 h ASP 415 CO -0.02 0.81 -0.05 1.23 -1.72 0.00 0.00 179.24 179.49 2wr2 h GLY 416 N 1.11 -0.09 1.02 2.75 0.00 -0.49 -1.17 103.07 106.20 2wr2 h GLY 416 Ca 0.26 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 2wr2 h GLY 416 CO -0.03 -0.06 0.29 0.74 0.00 0.00 0.00 176.54 177.48 2wr2 h PHE 417 N -0.11 1.04 -0.58 5.60 0.04 -0.97 -2.14 116.94 119.81 2wr2 h PHE 417 Ca 0.01 -0.07 0.06 0.00 2.80 0.00 0.00 57.97 60.76 2wr2 h PHE 417 Cb 0.12 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 2wr2 h PHE 417 CO -0.11 0.80 0.30 1.25 -0.60 0.00 0.00 178.31 179.95 2wr2 h LEU 418 N 0.98 0.42 -0.63 1.54 5.85 -0.74 0.55 115.31 123.28 2wr2 h LEU 418 Ca 0.23 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 2wr2 h LEU 418 Cb 0.19 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2wr2 h LEU 418 CO -0.02 0.28 0.04 0.44 -0.34 0.00 0.00 178.44 178.84 2wr2 h ASP 419 N 0.56 1.06 0.05 1.25 3.32 -1.04 -1.37 116.42 120.24 2wr2 h ASP 419 Ca 0.26 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2wr2 h ASP 419 Cb 0.18 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2wr2 h ASP 419 CO -0.19 1.08 -0.02 0.58 -1.72 0.00 0.00 179.24 178.97 2wr2 h VAL 420 N 0.99 1.11 -0.46 -1.35 2.07 -0.71 -2.23 116.25 115.67 2wr2 h VAL 420 Ca 0.18 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2wr2 h VAL 420 Cb 0.52 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2wr2 h VAL 420 CO 0.02 0.13 -0.21 -0.50 0.02 0.00 0.00 177.57 177.04 2wr2 h TRP 421 N -0.29 1.07 -0.12 1.57 4.06 -0.90 -2.18 115.95 119.16 2wr2 h TRP 421 Ca -0.01 -0.25 -0.02 0.00 2.06 0.00 0.00 58.89 60.67 2wr2 h TRP 421 Cb 0.26 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2wr2 h TRP 421 CO 0.00 1.05 -0.01 1.15 -3.56 0.00 0.00 178.44 177.08 2wr2 h THR 422 N 0.81 1.26 -0.68 1.49 2.02 -1.27 0.61 112.91 117.16 2wr2 h THR 422 Ca 0.11 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2wr2 h THR 422 Cb 0.77 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 2wr2 h THR 422 CO 0.06 0.24 0.36 0.22 0.37 0.00 0.00 175.52 176.77 2wr2 h TYR 423 N -0.06 0.94 0.03 3.16 3.20 -1.41 -2.42 116.97 120.42 2wr2 h TYR 423 Ca 0.03 -0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 2wr2 h TYR 423 Cb 0.38 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wr2 h TYR 423 CO 0.04 0.68 -1.03 -0.91 -1.64 0.00 0.00 178.16 175.31 2wr2 h ASN 424 N 0.93 0.60 -0.35 -2.11 2.35 -1.34 -2.22 115.58 113.45 2wr2 h ASN 424 Ca 0.24 -0.51 0.01 0.00 -0.55 0.00 0.00 56.30 55.49 2wr2 h ASN 424 Cb 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2wr2 h ASN 424 CO -0.04 1.32 0.21 0.00 -1.65 0.00 0.00 177.43 177.28 2wr2 h ALA 425 N 0.63 0.44 -0.21 -0.83 0.00 -0.83 0.68 119.26 119.14 2wr2 h ALA 425 Ca -0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2wr2 h ALA 425 Cb 1.68 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2wr2 h ALA 425 CO 0.18 -0.13 -0.31 0.93 0.00 0.00 0.00 179.25 179.92 2wr2 h GLU 426 N 0.44 0.59 -0.56 0.00 5.08 -1.49 -1.67 114.58 116.96 2wr2 h GLU 426 Ca 0.13 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2wr2 h GLU 426 Cb -0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2wr2 h GLU 426 CO -0.05 0.95 0.06 -0.07 -1.00 0.00 0.00 179.01 178.91 2wr2 h LEU 427 N 0.27 0.88 -0.27 1.33 3.38 -1.38 -1.98 115.31 117.54 2wr2 h LEU 427 Ca 0.02 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2wr2 h LEU 427 Cb 0.89 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2wr2 h LEU 427 CO 0.07 0.90 0.08 0.25 0.09 0.00 0.00 178.44 179.84 2wr2 h LEU 428 N 0.86 0.08 -0.25 1.67 5.85 -0.75 0.04 115.31 122.81 2wr2 h LEU 428 Ca 0.17 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2wr2 h LEU 428 Cb 0.42 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2wr2 h LEU 428 CO 0.01 0.08 0.16 0.58 -0.34 0.00 0.00 178.44 178.93 2wr2 h VAL 429 N 0.20 1.05 -0.15 1.05 2.07 -1.06 0.34 116.25 119.74 2wr2 h VAL 429 Ca 0.12 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2wr2 h VAL 429 Cb 0.10 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2wr2 h VAL 429 CO -0.14 0.06 0.08 -0.07 0.02 0.00 0.00 177.57 177.53 2wr2 h LEU 430 N 0.32 0.19 0.07 2.57 3.38 -1.16 -1.05 115.31 119.63 2wr2 h LEU 430 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wr2 h LEU 430 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wr2 h LEU 430 CO -0.03 0.21 -0.06 0.24 0.09 0.00 0.00 178.44 178.89 2wr2 h MET 431 N 0.15 -0.14 0.00 1.13 2.86 -0.72 -2.22 114.93 115.98 2wr2 h MET 431 Ca 0.05 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2wr2 h MET 431 Cb 0.07 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2wr2 h MET 431 CO -0.01 -0.09 -0.28 0.93 1.06 0.00 0.00 176.91 178.52 2wr2 h GLU 432 N -0.14 0.00 -0.15 1.72 4.39 -0.84 -2.24 114.58 117.32 2wr2 h GLU 432 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2wr2 h GLU 432 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2wr2 h GLU 432 CO -0.01 0.28 -0.47 -0.91 -1.16 0.00 0.00 179.01 176.74 2wr2 h ASN 433 N 0.00 0.42 -0.10 1.42 2.35 -0.91 0.31 115.58 119.07 2wr2 h ASN 433 Ca -0.00 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2wr2 h ASN 433 Cb 0.54 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2wr2 h ASN 433 CO 0.04 0.83 0.05 -0.08 -1.65 0.00 0.00 177.43 176.62 2wr2 h GLU 434 N 0.31 0.13 -0.20 0.81 4.57 -0.83 -2.19 114.58 117.19 2wr2 h GLU 434 Ca 0.02 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2wr2 h GLU 434 Cb 0.95 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2wr2 h GLU 434 CO 0.08 0.16 -0.35 0.00 -1.18 0.00 0.00 179.01 177.73 2wr2 h ARG 435 N 0.07 0.41 -0.17 1.92 3.08 -1.19 -2.41 114.38 116.10 2wr2 h ARG 435 Ca 0.03 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2wr2 h ARG 435 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2wr2 h ARG 435 CO -0.01 0.71 0.01 1.15 -1.07 0.00 0.00 179.97 180.76 2wr2 h THR 436 N 0.35 1.24 -0.93 2.04 2.02 -0.89 0.13 112.91 116.89 2wr2 h THR 436 Ca 0.04 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.45 2wr2 h THR 436 Cb 0.78 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 2wr2 h THR 436 CO 0.06 0.24 0.60 -0.07 0.37 0.00 0.00 175.52 176.72 2wr2 h LEU 437 N 0.06 0.98 -0.49 2.58 4.07 -1.31 -2.39 115.31 118.80 2wr2 h LEU 437 Ca 0.05 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.84 2wr2 h LEU 437 Cb 0.36 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2wr2 h LEU 437 CO 0.01 0.65 -0.66 0.44 -1.08 0.00 0.00 178.44 177.80 2wr2 h ASP 438 N 1.13 0.45 -0.19 -0.43 3.32 -1.26 -2.05 116.42 117.38 2wr2 h ASP 438 Ca 0.38 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.21 2wr2 h ASP 438 Cb 0.07 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 2wr2 h ASP 438 CO -0.14 0.98 -0.24 0.15 -1.72 0.00 0.00 179.24 178.27 2wr2 h PHE 439 N 0.27 -0.64 -0.75 4.55 3.57 -0.39 0.20 116.94 123.76 2wr2 h PHE 439 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2wr2 h PHE 439 Cb 1.21 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 2wr2 h PHE 439 CO 0.04 -0.32 0.49 0.45 -2.23 0.00 0.00 178.31 176.74 2wr2 h HIS 440 N -0.27 0.93 -0.54 0.41 3.86 -1.31 -0.86 115.15 117.37 2wr2 h HIS 440 Ca 0.12 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2wr2 h HIS 440 Cb 0.45 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 2wr2 h HIS 440 CO -0.37 0.58 0.34 0.22 0.86 0.00 0.00 177.93 179.56 2wr2 h ASP 441 N 1.00 0.57 -0.60 2.45 3.58 -0.80 -1.61 116.42 121.01 2wr2 h ASP 441 Ca 0.28 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 2wr2 h ASP 441 Cb -0.09 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 2wr2 h ASP 441 CO -0.07 0.41 0.18 -1.28 -2.88 0.00 0.00 179.24 175.60 2wr2 h SER 442 N 0.69 0.88 -0.75 2.28 0.87 -0.48 -0.63 113.55 116.41 2wr2 h SER 442 Ca 0.21 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2wr2 h SER 442 Cb -0.03 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 2wr2 h SER 442 CO -0.07 0.86 0.49 0.78 -0.53 0.00 0.00 176.83 178.36 2wr2 h ASN 443 N 0.85 0.80 -0.10 6.23 2.35 -0.54 -0.28 115.58 124.90 2wr2 h ASN 443 Ca 0.19 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2wr2 h ASN 443 Cb 0.30 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2wr2 h ASN 443 CO -0.00 0.56 -0.18 0.58 -1.65 0.00 0.00 177.43 176.74 2wr2 h VAL 444 N 0.94 1.39 -0.47 2.81 2.07 -0.81 -2.17 116.25 120.00 2wr2 h VAL 444 Ca 0.29 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2wr2 h VAL 444 Cb 0.01 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2wr2 h VAL 444 CO -0.08 0.41 0.30 0.50 0.02 0.00 0.00 177.57 178.72 2wr2 h LYS 445 N -0.15 0.63 0.00 1.57 1.63 -0.84 -1.84 116.57 117.57 2wr2 h LYS 445 Ca 0.01 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.55 2wr2 h LYS 445 Cb 0.75 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2wr2 h LYS 445 CO 0.04 0.43 -0.92 -0.91 -3.45 0.00 0.00 179.45 174.64 2wr2 h ASN 446 N 0.64 0.42 -0.42 4.20 2.35 -0.97 -2.19 115.58 119.61 2wr2 h ASN 446 Ca 0.17 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 2wr2 h ASN 446 Cb -0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2wr2 h ASN 446 CO -0.03 1.14 0.02 0.25 -1.65 0.00 0.00 177.43 177.15 2wr2 h LEU 447 N 0.18 0.72 -0.49 1.61 5.85 -1.09 -1.80 115.31 120.29 2wr2 h LEU 447 Ca -0.07 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2wr2 h LEU 447 Cb 1.55 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2wr2 h LEU 447 CO 0.15 0.84 0.14 0.22 -0.34 0.00 0.00 178.44 179.45 2wr2 h TYR 448 N 0.58 0.80 -0.65 1.25 3.20 -1.30 -2.46 116.97 118.39 2wr2 h TYR 448 Ca 0.12 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2wr2 h TYR 448 Cb 0.46 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2wr2 h TYR 448 CO 0.04 0.71 0.19 -0.44 -1.64 0.00 0.00 178.16 177.01 2wr2 h ASP 449 N 0.66 0.96 -1.01 -2.11 3.32 -1.39 -0.64 116.42 116.21 2wr2 h ASP 449 Ca 0.16 -0.22 0.11 0.00 0.02 0.00 0.00 57.03 57.09 2wr2 h ASP 449 Cb 0.29 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 2wr2 h ASP 449 CO -0.00 0.92 0.64 0.50 -1.72 0.00 0.00 179.24 179.58 2wr2 h LYS 450 N 0.94 1.02 -0.32 3.56 3.64 -1.11 0.21 116.57 124.51 2wr2 h LYS 450 Ca 0.21 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 2wr2 h LYS 450 Cb 0.32 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2wr2 h LYS 450 CO -0.00 0.67 -0.37 0.28 -2.27 0.00 0.00 179.45 177.76 2wr2 h VAL 451 N 1.05 1.29 -0.54 2.00 2.07 -1.08 -3.08 116.25 117.96 2wr2 h VAL 451 Ca 0.48 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2wr2 h VAL 451 Cb 0.40 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2wr2 h VAL 451 CO -0.24 0.51 0.25 -0.09 0.02 0.00 0.00 177.57 178.01 2wr2 h ARG 452 N 0.60 0.76 0.00 1.57 2.43 0.12 -2.06 114.38 117.79 2wr2 h ARG 452 Ca 0.04 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 2wr2 h ARG 452 Cb 0.96 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2wr2 h ARG 452 CO 0.09 0.60 -0.82 0.52 -1.51 0.00 0.00 179.97 178.85 2wr2 h MET 453 N 0.76 0.01 0.26 0.20 2.86 -1.01 -1.50 114.93 116.50 2wr2 h MET 453 Ca 0.19 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2wr2 h MET 453 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2wr2 h MET 453 CO -0.02 0.83 -0.12 1.96 1.06 0.00 0.00 176.91 180.61 2wr2 h GLN 454 N 0.00 -0.33 -0.39 1.72 4.20 -1.42 -3.35 115.11 115.53 2wr2 h GLN 454 Ca -0.01 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2wr2 h GLN 454 Cb 1.46 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.29 2wr2 h GLN 454 CO 0.11 0.02 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.16 2wr2 h LEU 455 N -0.88 0.64 0.00 1.46 4.07 -1.43 -3.43 115.31 115.72 2wr2 h LEU 455 Ca -0.04 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2wr2 h LEU 455 Cb 0.51 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2wr2 h LEU 455 CO 0.06 0.74 0.00 0.54 -1.08 0.00 0.00 178.44 178.70 2wr2 n ARG 456 N -4.21 0.00 -0.21 1.13 5.12 -0.57 -1.25 116.66 116.67 2wr2 n ARG 456 Ca 0.02 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.05 2wr2 n ARG 456 Cb 0.31 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 31.87 2wr2 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wr2 n ASP 457 N 4.75 3.19 0.00 0.55 3.85 -1.26 -3.83 116.55 123.79 2wr2 n ASP 457 Ca 0.00 -1.95 0.09 0.00 -0.71 0.00 0.00 54.79 52.21 2wr2 n ASP 457 Cb 0.00 -0.28 0.44 0.00 -1.35 0.00 0.00 41.12 39.93 2wr2 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr2 n ASN 458 N 1.29 0.00 -3.92 -1.12 4.13 -0.38 -4.81 115.26 110.45 2wr2 n ASN 458 Ca 0.19 0.11 -0.09 0.00 1.68 0.00 0.00 54.58 56.47 2wr2 n ASN 458 Cb 0.55 -0.32 -0.09 0.00 -1.54 0.00 0.00 39.78 38.38 2wr2 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr2 s VAL 459 N -2.64 0.14 -0.11 2.41 -7.23 -1.25 -0.11 120.40 111.61 2wr2 s VAL 459 Ca 0.16 -1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 2wr2 s VAL 459 Cb 0.12 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 2wr2 s VAL 459 CO 0.28 -0.65 0.79 -0.54 -0.31 0.00 0.00 175.10 174.67 2wr2 s LYS 460 N -3.12 4.38 -0.58 4.82 1.02 0.28 -4.88 119.74 121.67 2wr2 s LYS 460 Ca -0.01 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 2wr2 s LYS 460 Cb 0.02 -3.51 0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2wr2 s LYS 460 CO -0.07 -0.14 0.96 -2.00 -0.92 0.00 0.00 175.35 173.18 2wr2 s GLU 461 N 1.49 3.28 0.03 1.68 2.12 -1.26 -1.34 118.70 124.69 2wr2 s GLU 461 Ca 0.39 -0.38 -0.23 0.00 0.36 0.00 0.00 54.97 55.12 2wr2 s GLU 461 Cb -0.17 -4.09 -0.16 0.00 0.26 0.00 0.00 34.13 29.96 2wr2 s GLU 461 CO 0.16 -1.58 1.38 -0.07 -0.54 0.00 0.00 175.26 174.62 2wr2 h LEU 462 N 11.12 0.18 0.00 2.70 4.07 -1.93 -3.48 115.31 127.98 2wr2 h LEU 462 Ca -0.27 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.29 2wr2 h LEU 462 Cb 1.07 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2wr2 h LEU 462 CO 1.11 0.55 0.00 0.61 -1.08 0.00 0.00 178.44 179.63 2wr2 n GLY 463 N -0.02 1.06 0.15 0.83 0.00 -1.26 -4.98 105.19 100.97 2wr2 n GLY 463 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2wr2 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr2 n ASN 464 N 0.00 2.06 0.00 1.61 0.23 -1.26 -4.76 115.26 113.14 2wr2 n ASN 464 Ca 0.00 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.04 2wr2 n ASN 464 Cb 0.00 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 2wr2 n ASN 464 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 465 N -1.26 0.93 3.91 4.83 0.00 -1.26 -4.57 105.19 107.77 2wr2 n GLY 465 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2wr2 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s PHE 467 N -1.78 2.37 -0.26 0.00 0.08 0.11 -2.85 117.98 115.66 2wr2 s PHE 467 Ca 0.40 -1.12 -0.17 0.00 0.12 0.00 0.00 56.93 56.16 2wr2 s PHE 467 Cb -0.12 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2wr2 s PHE 467 CO 0.27 -0.52 0.47 -1.21 -0.10 0.00 0.00 175.22 174.13 2wr2 s GLU 468 N 0.78 4.07 0.33 0.44 2.02 -0.45 -1.35 118.70 124.54 2wr2 s GLU 468 Ca -0.09 0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.86 2wr2 s GLU 468 Cb -0.16 -3.64 -0.09 0.00 0.10 0.00 0.00 34.13 30.34 2wr2 s GLU 468 CO 0.00 -0.30 1.12 -0.06 0.02 0.00 0.00 175.26 176.04 2wr2 s PHE 469 N 2.15 3.39 -0.75 1.61 0.08 -0.63 0.10 117.98 123.93 2wr2 s PHE 469 Ca 0.19 1.64 0.07 0.00 0.12 0.00 0.00 56.93 58.96 2wr2 s PHE 469 Cb -0.16 -3.31 0.41 0.00 -0.57 0.00 0.00 43.02 39.40 2wr2 s PHE 469 CO 0.09 -0.81 1.14 0.66 -0.10 0.00 0.00 175.22 176.21 2wr2 n TYR 470 N 0.72 1.01 -3.56 0.36 4.01 0.84 -4.83 117.16 115.71 2wr2 n TYR 470 Ca 0.01 -0.35 -0.15 0.00 -0.16 0.00 0.00 57.90 57.24 2wr2 n TYR 470 Cb 0.46 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 2wr2 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr2 s HIS 471 N -1.86 -0.62 0.24 -0.72 -3.43 -1.26 -3.97 115.29 103.69 2wr2 s HIS 471 Ca 0.27 1.19 -0.31 0.00 -0.80 0.00 0.00 55.06 55.41 2wr2 s HIS 471 Cb 0.20 0.39 -0.13 0.00 -1.43 0.00 0.00 32.58 31.61 2wr2 s HIS 471 CO 0.09 -0.49 1.48 1.63 -2.00 0.00 0.00 174.74 175.45 2wr2 n LYS 472 N 1.32 2.24 -3.74 -0.38 4.76 -1.26 -4.92 118.16 116.17 2wr2 n LYS 472 Ca -0.16 0.80 -0.29 0.00 -2.87 0.00 0.00 58.31 55.79 2wr2 n LYS 472 Cb 0.57 -2.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.10 2wr2 n LYS 472 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wr2 n ASP 474 N 4.90 -0.56 0.06 0.00 5.68 -1.26 -4.63 116.55 120.74 2wr2 n ASP 474 Ca -0.05 -1.09 0.03 0.00 -0.50 0.00 0.00 54.79 53.18 2wr2 n ASP 474 Cb 0.43 -0.52 0.40 0.00 -1.14 0.00 0.00 41.12 40.30 2wr2 n ASP 474 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wr2 h ASP 475 N -1.27 0.36 -0.39 -1.12 5.19 -2.00 0.32 116.42 117.50 2wr2 h ASP 475 Ca -0.22 -0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.02 2wr2 h ASP 475 Cb 0.62 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2wr2 h ASP 475 CO 0.15 0.37 -0.29 -0.08 -3.12 0.00 0.00 179.24 176.28 2wr2 h GLU 476 N 0.39 0.88 -0.14 3.56 4.57 -1.99 -1.91 114.58 119.94 2wr2 h GLU 476 Ca 0.09 -0.43 -0.16 0.00 -1.18 0.00 0.00 59.36 57.68 2wr2 h GLU 476 Cb 0.17 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2wr2 h GLU 476 CO -0.00 1.08 -0.55 0.00 -1.18 0.00 0.00 179.01 178.35 2wr2 h MET 478 N 0.27 0.19 -0.13 0.00 2.86 -0.94 -1.58 114.93 115.60 2wr2 h MET 478 Ca -0.03 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.37 2wr2 h MET 478 Cb 1.18 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.81 2wr2 h MET 478 CO 0.12 0.13 -0.83 -0.97 1.06 0.00 0.00 176.91 176.41 2wr2 h ASN 479 N 0.20 0.95 -0.54 1.22 -0.73 -1.09 -2.74 115.58 112.85 2wr2 h ASN 479 Ca 0.29 -0.65 0.01 0.00 1.87 0.00 0.00 56.30 57.82 2wr2 h ASN 479 Cb 0.89 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 2wr2 h ASN 479 CO -0.05 1.45 0.36 0.77 -0.37 0.00 0.00 177.43 179.59 2wr2 h SER 480 N 0.52 0.61 0.45 1.15 4.64 -0.86 1.02 113.55 121.08 2wr2 h SER 480 Ca -0.07 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2wr2 h SER 480 Cb 1.47 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2wr2 h SER 480 CO 0.17 0.44 -0.22 0.58 -0.87 0.00 0.00 176.83 176.93 2wr2 h VAL 481 N 0.72 0.52 -0.93 0.95 2.07 -1.43 0.41 116.25 118.56 2wr2 h VAL 481 Ca 0.20 -0.31 0.25 0.00 0.82 0.00 0.00 66.70 67.67 2wr2 h VAL 481 Cb -0.05 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2wr2 h VAL 481 CO -0.05 0.05 0.65 0.11 0.02 0.00 0.00 177.57 178.36 2wr2 h LYS 482 N -0.80 0.14 0.12 1.57 1.57 -1.09 -2.92 116.57 115.17 2wr2 h LYS 482 Ca -0.06 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.42 2wr2 h LYS 482 Cb 0.55 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wr2 h LYS 482 CO 0.10 0.09 -1.38 -0.97 -0.57 0.00 0.00 179.45 176.73 2wr2 h ASN 483 N 0.15 0.41 0.00 0.86 -1.24 0.20 -3.48 115.58 112.47 2wr2 h ASN 483 Ca 0.47 -0.49 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2wr2 h ASN 483 Cb 1.59 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.51 2wr2 h ASN 483 CO -0.08 1.40 0.00 0.61 -1.29 0.00 0.00 177.43 178.06 2wr2 n GLY 484 N 1.60 1.14 2.59 1.57 0.00 0.13 -5.01 105.19 107.20 2wr2 n GLY 484 Ca -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2wr2 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr2 n THR 485 N -2.01 1.22 -0.34 2.61 -2.24 -0.12 -5.00 114.28 108.40 2wr2 n THR 485 Ca 0.00 -2.78 0.08 0.00 -2.27 0.00 0.00 64.05 59.07 2wr2 n THR 485 Cb 0.04 1.07 0.24 0.00 -2.10 0.00 0.00 70.33 69.58 2wr2 n THR 485 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wr2 h TYR 486 N 2.36 1.03 -3.78 4.78 3.20 -1.89 -3.46 116.97 119.21 2wr2 h TYR 486 Ca -0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2wr2 h TYR 486 Cb 1.36 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2wr2 h TYR 486 CO 0.49 0.36 -0.08 -3.47 -1.64 0.00 0.00 178.16 173.82 2wr2 n ASP 487 N -4.70 -3.98 -0.15 -2.11 -0.08 -1.26 -4.88 116.55 99.39 2wr2 n ASP 487 Ca 0.19 0.07 -0.08 0.00 -1.51 0.00 0.00 54.79 53.46 2wr2 n ASP 487 Cb 0.39 -2.47 0.00 0.00 2.34 0.00 0.00 41.12 41.39 2wr2 n ASP 487 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2wr2 h TYR 488 N 0.40 0.60 0.00 -0.67 3.20 -1.92 -3.02 116.97 115.57 2wr2 h TYR 488 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2wr2 h TYR 488 Cb 0.68 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2wr2 h TYR 488 CO 0.05 0.46 -0.06 -1.35 -1.64 0.00 0.00 178.16 175.61 2wr2 h PRO 489 N 0.58 0.00 -0.36 1.82 0.11 -1.97 -0.69 132.00 131.49 2wr2 h PRO 489 Ca 0.16 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 2wr2 h PRO 489 Cb 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2wr2 h PRO 489 CO -0.03 0.06 -0.08 -0.22 -0.21 0.00 0.00 178.00 177.52 2wr2 h LYS 490 N 0.00 0.61 -0.03 1.05 3.64 -1.90 -2.97 116.57 116.97 2wr2 h LYS 490 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2wr2 h LYS 490 Cb 0.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2wr2 h LYS 490 CO 0.01 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 2wr2 n TYR 491 N -4.20 0.02 -0.32 1.91 4.01 -1.02 -4.58 117.16 112.98 2wr2 n TYR 491 Ca 0.01 -0.02 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 2wr2 n TYR 491 Cb 0.32 -0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.56 2wr2 n TYR 491 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2wr2 h GLU 492 N 2.84 0.78 -6.26 -0.72 4.81 -0.96 -3.30 114.58 111.76 2wr2 h GLU 492 Ca 0.00 -0.05 -0.53 0.00 -0.13 0.00 0.00 59.36 58.65 2wr2 h GLU 492 Cb 0.61 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2wr2 h GLU 492 CO 0.00 0.51 1.19 -1.21 -0.73 0.00 0.00 179.01 178.77 2wr2 s GLU 493 N -5.98 3.10 0.00 1.92 0.41 -1.26 -4.18 118.70 112.70 2wr2 s GLU 493 Ca -0.12 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 2wr2 s GLU 493 Cb 0.21 -4.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.35 2wr2 s GLU 493 CO 0.79 -2.18 0.00 -1.91 -0.49 0.00 0.00 175.26 171.47 2wr2 n GLU 494 N 8.86 0.00 -3.63 1.61 2.13 -1.24 -5.09 120.64 123.27 2wr2 n GLU 494 Ca 0.15 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.84 2wr2 n GLU 494 Cb 0.50 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.14 2wr2 n GLU 494 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wr2 s SER 495 N 0.00 -0.68 0.00 4.31 0.01 -1.25 -4.48 113.70 111.61 2wr2 s SER 495 Ca 0.00 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2wr2 s SER 495 Cb 0.00 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2wr2 s SER 495 CO 0.00 -0.25 0.00 0.29 0.41 0.00 0.00 173.24 173.69 2wr2 n LYS 496 N 2.51 0.00 -0.01 12.44 5.02 -1.26 0.82 118.16 137.67 2wr2 n LYS 496 Ca -0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.13 2wr2 n LYS 496 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2wr2 n LYS 496 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wr2 n ALA 497 N 5.71 2.35 0.33 7.82 0.00 -1.26 -5.10 120.51 130.36 2wr2 n ALA 497 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2wr2 n ALA 497 Cb 0.00 0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.94 2wr2 n ALA 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50