#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr0 s GLN 6 N 0.00 0.50 -0.01 -1.24 -2.07 -0.50 -0.54 119.66 115.80 2wr0 s GLN 6 Ca 0.00 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 52.92 2wr0 s GLN 6 Cb 0.00 0.19 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 2wr0 s GLN 6 CO 0.00 -0.11 -0.15 -1.50 -1.32 0.00 0.00 175.29 172.21 2wr0 s ILE 7 N -2.14 1.19 0.00 3.63 2.07 -0.53 -0.20 121.20 125.22 2wr0 s ILE 7 Ca -0.09 -0.69 0.05 0.00 -1.41 0.00 0.00 60.65 58.52 2wr0 s ILE 7 Cb -0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 2wr0 s ILE 7 CO -0.03 0.30 -0.17 0.00 -1.91 0.00 0.00 174.94 173.13 2wr0 s ILE 9 N -0.52 5.15 0.22 0.00 -1.09 0.04 -1.02 121.20 123.97 2wr0 s ILE 9 Ca 0.06 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 2wr0 s ILE 9 Cb -0.07 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2wr0 s ILE 9 CO 0.00 0.44 0.27 0.61 -1.23 0.00 0.00 174.94 175.03 2wr0 n GLY 10 N 2.71 2.72 3.35 6.18 0.00 -0.18 -4.81 105.19 115.16 2wr0 n GLY 10 Ca -0.11 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 2wr0 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr0 s TYR 11 N -3.46 0.05 0.31 1.61 -0.85 -1.26 -2.27 117.35 111.47 2wr0 s TYR 11 Ca 0.20 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 56.06 2wr0 s TYR 11 Cb -0.00 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 42.38 2wr0 s TYR 11 CO 0.14 -0.73 1.33 -1.58 -1.52 0.00 0.00 175.55 173.20 2wr0 s HIS 12 N -3.87 3.05 0.02 -3.49 5.65 0.40 0.14 115.29 117.19 2wr0 s HIS 12 Ca 0.09 1.33 0.01 0.00 0.25 0.00 0.00 55.06 56.74 2wr0 s HIS 12 Cb 0.02 -3.71 -0.02 0.00 -1.18 0.00 0.00 32.58 27.70 2wr0 s HIS 12 CO -0.06 -2.02 -0.05 0.00 -0.65 0.00 0.00 174.74 171.95 2wr0 s ALA 13 N -0.86 0.35 0.00 1.58 0.00 -1.11 -4.60 121.76 117.12 2wr0 s ALA 13 Ca 0.51 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2wr0 s ALA 13 Cb -0.40 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2wr0 s ALA 13 CO 0.51 -0.04 0.00 0.27 0.00 0.00 0.00 175.76 176.50 2wr0 n ASN 14 N 1.95 0.00 -1.41 0.00 0.23 -1.26 -4.00 115.26 110.77 2wr0 n ASN 14 Ca -0.20 -0.99 -0.06 0.00 -0.53 0.00 0.00 54.58 52.80 2wr0 n ASN 14 Cb 0.56 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.39 2wr0 n ASN 14 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wr0 n ASN 15 N -2.70 3.30 -4.77 0.53 3.02 -1.26 -4.77 115.26 108.61 2wr0 n ASN 15 Ca 0.00 -2.63 -0.38 0.00 -0.03 0.00 0.00 54.58 51.54 2wr0 n ASN 15 Cb 0.00 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.50 2wr0 n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wr0 s SER 16 N -0.19 6.95 0.00 6.41 0.15 -1.26 -4.93 113.70 120.84 2wr0 s SER 16 Ca 0.26 2.18 0.02 0.00 0.70 0.00 0.00 55.95 59.12 2wr0 s SER 16 Cb 0.21 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 2wr0 s SER 16 CO 0.06 -0.36 0.28 0.35 1.20 0.00 0.00 173.24 174.77 2wr0 n THR 17 N 0.51 0.00 -1.68 6.45 -2.24 -1.26 -4.84 114.28 111.22 2wr0 n THR 17 Ca 0.02 -0.47 -0.47 0.00 -2.27 0.00 0.00 64.05 60.86 2wr0 n THR 17 Cb 0.47 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 2wr0 n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wr0 n GLU 18 N -0.57 2.24 -4.22 -0.78 4.07 -1.26 -4.87 120.64 115.25 2wr0 n GLU 18 Ca 0.01 0.82 -0.28 0.00 -0.06 0.00 0.00 57.16 57.65 2wr0 n GLU 18 Cb 0.04 -2.64 -0.09 0.00 -0.06 0.00 0.00 31.44 28.69 2wr0 n GLU 18 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2wr0 s LYS 19 N 2.75 2.27 0.19 5.31 1.02 -1.26 -0.95 119.74 129.07 2wr0 s LYS 19 Ca 0.86 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2wr0 s LYS 19 Cb -0.66 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2wr0 s LYS 19 CO 0.45 0.47 0.08 0.14 -0.92 0.00 0.00 175.35 175.56 2wr0 s VAL 20 N -1.58 0.28 0.07 3.17 -7.23 0.54 -4.90 120.40 110.76 2wr0 s VAL 20 Ca 0.25 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 2wr0 s VAL 20 Cb -0.10 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2wr0 s VAL 20 CO 0.17 -0.21 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.86 2wr0 s ASP 21 N -3.17 4.53 0.42 4.85 1.01 -1.26 -0.48 116.67 122.56 2wr0 s ASP 21 Ca 0.32 -0.29 0.04 0.00 0.71 0.00 0.00 52.55 53.34 2wr0 s ASP 21 Cb 0.07 -0.95 -0.05 0.00 1.01 0.00 0.00 42.92 43.00 2wr0 s ASP 21 CO 0.08 0.21 0.03 0.42 0.21 0.00 0.00 175.17 176.13 2wr0 s THR 22 N -1.15 1.43 0.27 -1.27 -4.23 -0.05 -4.42 115.64 106.22 2wr0 s THR 22 Ca 0.20 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2wr0 s THR 22 Cb -0.11 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.34 2wr0 s THR 22 CO 0.12 0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.38 2wr0 h ILE 23 N 1.72 0.76 0.00 2.99 1.08 -1.70 -3.02 117.51 119.34 2wr0 h ILE 23 Ca -0.42 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2wr0 h ILE 23 Cb 1.27 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2wr0 h ILE 23 CO 0.74 0.13 -1.39 0.18 -0.69 0.00 0.00 178.15 177.12 2wr0 n LEU 24 N -4.81 0.60 -4.16 1.44 4.77 -1.26 -4.99 117.00 108.59 2wr0 n LEU 24 Ca 0.18 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2wr0 n LEU 24 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2wr0 n LEU 24 CO 0.22 -0.06 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.23 2wr0 s GLU 25 N -3.29 0.81 0.10 3.23 2.02 -1.14 -5.16 118.70 115.26 2wr0 s GLU 25 Ca -0.03 -1.28 0.09 0.00 0.02 0.00 0.00 54.97 53.77 2wr0 s GLU 25 Cb 0.10 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 2wr0 s GLU 25 CO 0.83 -0.00 -0.23 1.03 0.02 0.00 0.00 175.26 176.90 2wr0 s ARG 26 N -3.59 1.28 -1.24 1.61 1.81 -1.26 -0.87 118.95 116.69 2wr0 s ARG 26 Ca 0.10 -1.17 -0.18 0.00 -1.72 0.00 0.00 55.73 52.76 2wr0 s ARG 26 Cb 0.03 -1.58 0.01 0.00 -0.45 0.00 0.00 34.95 32.97 2wr0 s ARG 26 CO -0.04 0.38 0.63 0.09 -0.68 0.00 0.00 175.30 175.68 2wr0 n ASN 27 N 1.21 -3.48 -4.68 0.23 4.13 -1.15 -4.94 115.26 106.58 2wr0 n ASN 27 Ca -0.19 -1.10 -0.40 0.00 1.68 0.00 0.00 54.58 54.58 2wr0 n ASN 27 Cb 0.53 -2.79 -0.05 0.00 -1.54 0.00 0.00 39.78 35.93 2wr0 n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wr0 s VAL 28 N -3.65 5.04 -0.09 2.41 1.01 0.36 -4.83 120.40 120.65 2wr0 s VAL 28 Ca 0.34 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 2wr0 s VAL 28 Cb -0.14 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2wr0 s VAL 28 CO 0.90 0.16 1.11 -0.89 0.00 0.00 0.00 175.10 176.38 2wr0 s THR 29 N 1.56 4.50 0.13 3.92 2.01 -1.26 -0.34 115.64 126.15 2wr0 s THR 29 Ca 0.31 1.80 0.10 0.00 0.31 0.00 0.00 61.69 64.20 2wr0 s THR 29 Cb -0.16 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2wr0 s THR 29 CO 0.12 -0.01 -0.23 0.68 -0.69 0.00 0.00 174.62 174.49 2wr0 s VAL 30 N 2.21 1.98 0.40 3.82 -7.23 -0.13 -0.48 120.40 120.97 2wr0 s VAL 30 Ca 0.52 -1.70 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 2wr0 s VAL 30 Cb -0.21 -1.80 0.16 0.00 0.56 0.00 0.00 36.38 35.09 2wr0 s VAL 30 CO 0.19 -0.03 1.93 0.71 -0.31 0.00 0.00 175.10 177.59 2wr0 h THR 31 N 3.85 1.17 -2.92 5.32 1.35 -0.97 -3.40 112.91 117.32 2wr0 h THR 31 Ca -0.48 -0.76 -0.14 0.00 -0.55 0.00 0.00 66.41 64.49 2wr0 h THR 31 Cb 1.18 1.23 -0.24 0.00 -1.73 0.00 0.00 68.15 68.59 2wr0 h THR 31 CO 0.41 0.23 -0.31 -1.00 -0.25 0.00 0.00 175.52 174.61 2wr0 s HIS 32 N -4.71 -0.35 0.16 4.73 3.76 -1.26 -4.82 115.29 112.79 2wr0 s HIS 32 Ca -0.05 0.84 -0.10 0.00 -0.15 0.00 0.00 55.06 55.59 2wr0 s HIS 32 Cb 0.15 0.13 -0.00 0.00 1.11 0.00 0.00 32.58 33.97 2wr0 s HIS 32 CO 0.73 -0.21 0.32 0.00 -0.85 0.00 0.00 174.74 174.72 2wr0 s ALA 33 N -0.02 -0.17 -0.07 -1.40 0.00 -1.26 -0.78 121.76 118.05 2wr0 s ALA 33 Ca -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 2wr0 s ALA 33 Cb -0.03 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2wr0 s ALA 33 CO 0.01 -0.66 0.14 0.21 0.00 0.00 0.00 175.76 175.46 2wr0 s LYS 34 N -3.94 0.03 -0.03 0.00 2.20 -0.08 -4.85 119.74 113.07 2wr0 s LYS 34 Ca 0.15 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.95 2wr0 s LYS 34 Cb 0.03 -0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 2wr0 s LYS 34 CO -0.01 -0.28 1.06 0.34 -0.36 0.00 0.00 175.35 176.10 2wr0 s ASP 35 N 2.01 7.23 -0.11 1.43 -1.08 -1.26 -1.00 116.67 123.88 2wr0 s ASP 35 Ca 0.00 1.71 0.15 0.00 -0.52 0.00 0.00 52.55 53.90 2wr0 s ASP 35 Cb -0.12 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.33 2wr0 s ASP 35 CO -0.05 -0.40 1.47 2.30 0.52 0.00 0.00 175.17 179.00 2wr0 n ILE 36 N 4.20 1.82 -3.73 4.11 -5.35 0.14 -4.88 119.36 115.66 2wr0 n ILE 36 Ca 0.08 -1.38 -0.38 0.00 -0.27 0.00 0.00 62.75 60.80 2wr0 n ILE 36 Cb 0.49 0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 38.34 2wr0 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr0 s LEU 37 N -2.00 4.21 -0.09 7.28 2.96 -1.24 -3.52 118.68 126.29 2wr0 s LEU 37 Ca 0.41 -0.95 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 2wr0 s LEU 37 Cb 0.28 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2wr0 s LEU 37 CO 0.17 -0.29 1.23 -0.70 -1.32 0.00 0.00 176.35 175.44 2wr0 s GLU 38 N 1.47 4.30 0.00 1.98 2.56 0.20 -4.88 118.70 124.33 2wr0 s GLU 38 Ca 0.01 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.66 2wr0 s GLU 38 Cb -0.19 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.31 2wr0 s GLU 38 CO 0.03 -0.55 0.36 1.63 -0.56 0.00 0.00 175.26 176.17 2wr0 n LYS 39 N 5.72 0.02 -4.39 4.30 5.02 -1.26 -2.59 118.16 124.97 2wr0 n LYS 39 Ca 0.12 -0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 2wr0 n LYS 39 Cb 0.46 -0.85 -0.13 0.00 -0.02 0.00 0.00 35.03 34.49 2wr0 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr0 s THR 40 N -0.10 2.27 0.27 -0.18 -4.23 -1.26 -4.87 115.64 107.53 2wr0 s THR 40 Ca 0.00 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2wr0 s THR 40 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2wr0 s THR 40 CO 0.00 0.07 0.17 -1.38 -0.54 0.00 0.00 174.62 172.94 2wr0 s HIS 41 N -1.12 1.49 -2.30 3.99 -3.43 -1.26 -4.71 115.29 107.95 2wr0 s HIS 41 Ca 0.15 -1.42 0.21 0.00 -0.80 0.00 0.00 55.06 53.20 2wr0 s HIS 41 Cb -0.10 -0.74 0.53 0.00 -1.43 0.00 0.00 32.58 30.84 2wr0 s HIS 41 CO 0.06 -0.61 1.45 0.27 -2.00 0.00 0.00 174.74 173.91 2wr0 n ASN 42 N -0.81 2.98 -1.02 7.38 6.94 -0.58 -4.90 115.26 125.25 2wr0 n ASN 42 Ca 0.02 -1.93 -0.13 0.00 -0.02 0.00 0.00 54.58 52.52 2wr0 n ASN 42 Cb 0.65 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.75 2wr0 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr0 n GLY 43 N 1.41 1.35 3.27 4.83 0.00 -1.25 -4.84 105.19 109.96 2wr0 n GLY 43 Ca 0.19 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2wr0 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr0 s LYS 44 N -3.05 1.22 -0.31 1.61 1.02 -1.26 -4.70 119.74 114.28 2wr0 s LYS 44 Ca 0.00 -1.08 -0.26 0.00 0.02 0.00 0.00 55.97 54.65 2wr0 s LYS 44 Cb 0.00 -1.44 0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2wr0 s LYS 44 CO 0.00 0.35 0.92 -0.51 -0.92 0.00 0.00 175.35 175.19 2wr0 s LEU 45 N -1.64 4.03 0.46 3.17 1.43 -1.26 -1.98 118.68 122.89 2wr0 s LEU 45 Ca 0.07 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2wr0 s LEU 45 Cb -0.10 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2wr0 s LEU 45 CO 0.03 -0.73 0.13 0.00 0.23 0.00 0.00 176.35 176.02 2wr0 s ARG 47 N -3.92 4.04 -0.30 0.00 0.52 -0.26 -4.58 118.95 114.45 2wr0 s ARG 47 Ca 0.29 1.55 -0.09 0.00 -0.52 0.00 0.00 55.73 56.97 2wr0 s ARG 47 Cb 0.04 -2.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 2wr0 s ARG 47 CO 0.16 -0.26 0.13 -1.17 0.02 0.00 0.00 175.30 174.18 2wr0 s LEU 48 N -2.81 3.99 -1.65 2.53 2.96 0.14 -1.46 118.68 122.38 2wr0 s LEU 48 Ca 0.60 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 2wr0 s LEU 48 Cb -0.23 -1.96 0.13 0.00 0.50 0.00 0.00 46.19 44.63 2wr0 s LEU 48 CO 0.28 -0.19 0.81 -1.20 -1.32 0.00 0.00 176.35 174.74 2wr0 n SER 49 N 4.94 -3.44 0.00 3.68 7.64 -0.95 -1.52 113.62 123.97 2wr0 n SER 49 Ca -0.14 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2wr0 n SER 49 Cb 0.49 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 2wr0 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr0 n GLY 50 N -1.50 0.79 3.41 0.23 0.00 -1.26 -5.05 105.19 101.81 2wr0 n GLY 50 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2wr0 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr0 s ILE 51 N -2.32 3.23 0.64 -0.61 -1.09 -0.57 -5.04 121.20 115.44 2wr0 s ILE 51 Ca 0.00 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 2wr0 s ILE 51 Cb 0.00 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 2wr0 s ILE 51 CO 0.00 0.53 1.11 -2.16 -1.23 0.00 0.00 174.94 173.19 2wr0 s PRO 52 N 0.23 2.89 0.88 2.79 0.04 -1.26 0.23 135.00 140.80 2wr0 s PRO 52 Ca -0.07 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 2wr0 s PRO 52 Cb -0.15 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.55 2wr0 s PRO 52 CO 0.05 -1.19 1.17 -1.25 0.04 0.00 0.00 177.00 175.82 2wr0 s PRO 53 N -3.99 1.42 -0.18 0.56 0.05 -1.26 -1.53 135.00 130.07 2wr0 s PRO 53 Ca 0.68 0.16 -0.20 0.00 0.05 0.00 0.00 61.00 61.69 2wr0 s PRO 53 Cb -0.21 -1.88 -0.03 0.00 0.05 0.00 0.00 34.50 32.43 2wr0 s PRO 53 CO 0.39 -1.98 0.57 -1.17 0.05 0.00 0.00 177.00 174.86 2wr0 s LEU 54 N -5.85 4.17 -0.35 -3.56 2.96 0.28 -4.83 118.68 111.50 2wr0 s LEU 54 Ca 0.64 0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 55.23 2wr0 s LEU 54 Cb -0.12 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2wr0 s LEU 54 CO 0.51 -0.19 0.19 -1.61 -1.32 0.00 0.00 176.35 173.94 2wr0 s GLU 55 N 1.57 3.09 -0.01 1.98 2.02 -1.26 -1.45 118.70 124.64 2wr0 s GLU 55 Ca 0.27 -0.90 0.22 0.00 0.02 0.00 0.00 54.97 54.58 2wr0 s GLU 55 Cb -0.16 -3.68 -0.29 0.00 0.10 0.00 0.00 34.13 30.10 2wr0 s GLU 55 CO 0.10 -0.57 0.61 1.28 0.02 0.00 0.00 175.26 176.71 2wr0 n LEU 56 N 5.01 0.27 0.00 1.80 4.77 -0.61 -4.92 117.00 123.31 2wr0 n LEU 56 Ca -0.13 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wr0 n LEU 56 Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wr0 n LEU 56 CO 0.36 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2wr0 n GLY 57 N 1.32 2.13 0.23 -0.72 0.00 -1.24 -1.36 105.19 105.55 2wr0 n GLY 57 Ca -0.02 0.43 0.15 0.00 0.00 0.00 0.00 46.02 46.58 2wr0 n GLY 57 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wr0 h ASP 58 N 0.00 0.00 -3.05 1.61 3.32 -1.94 -3.13 116.42 113.22 2wr0 h ASP 58 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2wr0 h ASP 58 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2wr0 h ASP 58 CO 0.00 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.25 2wr0 s SER 60 N -2.93 5.99 0.34 0.00 1.04 -0.19 -4.82 113.70 113.13 2wr0 s SER 60 Ca 0.41 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.42 2wr0 s SER 60 Cb -0.11 -1.85 0.61 0.00 0.10 0.00 0.00 66.02 64.78 2wr0 s SER 60 CO 0.28 -0.66 1.98 0.40 0.98 0.00 0.00 173.24 176.23 2wr0 h ILE 61 N 0.32 1.13 -0.22 -1.02 2.04 -1.98 -0.24 117.51 117.55 2wr0 h ILE 61 Ca -0.47 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2wr0 h ILE 61 Cb 1.23 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2wr0 h ILE 61 CO 0.60 0.16 -0.02 0.00 0.00 0.00 0.00 178.15 178.89 2wr0 h ALA 62 N 1.57 0.29 -0.92 1.87 0.00 -1.94 0.34 119.26 120.48 2wr0 h ALA 62 Ca 0.28 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wr0 h ALA 62 Cb -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2wr0 h ALA 62 CO -0.07 0.04 0.61 0.78 0.00 0.00 0.00 179.25 180.61 2wr0 h GLY 63 N 0.15 1.31 0.52 0.00 0.00 -1.53 0.26 103.07 103.78 2wr0 h GLY 63 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wr0 h GLY 63 CO 0.01 0.43 -0.13 -0.25 0.00 0.00 0.00 176.54 176.60 2wr0 h TRP 64 N 1.20 -0.34 -0.93 5.60 7.01 -0.94 0.29 115.95 127.85 2wr0 h TRP 64 Ca 0.35 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.35 2wr0 h TRP 64 Cb -0.05 0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.07 2wr0 h TRP 64 CO -0.00 0.03 0.60 -0.07 -2.79 0.00 0.00 178.44 176.21 2wr0 h LEU 65 N -0.85 1.07 -0.43 0.65 3.38 -0.81 -1.98 115.31 116.35 2wr0 h LEU 65 Ca -0.04 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2wr0 h LEU 65 Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wr0 h LEU 65 CO 0.06 0.79 -0.41 -0.07 0.09 0.00 0.00 178.44 178.90 2wr0 h LEU 66 N 1.26 0.00 -0.37 1.67 3.38 -1.04 -3.45 115.31 116.76 2wr0 h LEU 66 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2wr0 h LEU 66 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wr0 h LEU 66 CO -0.07 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2wr0 n GLY 67 N 0.79 0.95 3.64 0.83 0.00 -0.60 -2.12 105.19 108.68 2wr0 n GLY 67 Ca 0.01 -0.52 -0.56 0.00 0.00 0.00 0.00 46.02 44.95 2wr0 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr0 n ASN 68 N 1.15 1.68 -0.33 1.61 2.85 0.93 -0.09 115.26 123.07 2wr0 n ASN 68 Ca 0.00 1.11 0.33 0.00 -0.11 0.00 0.00 54.58 55.91 2wr0 n ASN 68 Cb 0.33 -1.11 0.70 0.00 1.24 0.00 0.00 39.78 40.95 2wr0 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr0 h PRO 69 N 5.40 0.08 -0.21 1.20 0.11 -1.88 0.88 132.00 137.57 2wr0 h PRO 69 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wr0 h PRO 69 Cb 1.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2wr0 h PRO 69 CO 0.85 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 179.08 2wr0 n GLU 70 N -4.28 1.00 0.00 1.05 -0.58 -1.26 -3.85 120.64 112.71 2wr0 n GLU 70 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2wr0 n GLU 70 Cb 1.18 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 2wr0 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr0 n ASP 72 N -0.26 0.00 -0.23 0.00 5.75 -0.40 -1.32 116.55 120.09 2wr0 n ASP 72 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.88 2wr0 n ASP 72 Cb 0.00 -0.23 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 2wr0 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wr0 n ARG 73 N -1.23 0.78 -1.30 0.11 1.74 -1.26 -5.00 116.66 110.50 2wr0 n ARG 73 Ca 0.07 -0.47 -0.44 0.00 -0.77 0.00 0.00 57.85 56.23 2wr0 n ARG 73 Cb 0.09 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 2wr0 n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wr0 n LEU 74 N -0.78 -1.19 0.00 0.55 -0.00 -0.43 -4.91 117.00 110.24 2wr0 n LEU 74 Ca 0.06 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.11 2wr0 n LEU 74 Cb 0.38 -0.88 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2wr0 n LEU 74 CO 0.34 -2.79 0.41 0.00 -0.00 0.00 0.00 177.39 175.35 2wr0 n LEU 75 N 1.86 0.00 -1.10 -1.96 -0.00 -1.26 -5.03 117.00 109.51 2wr0 n LEU 75 Ca 0.17 0.82 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 2wr0 n LEU 75 Cb 0.23 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2wr0 n LEU 75 CO 0.52 -0.32 0.00 -0.24 -0.00 0.00 0.00 177.39 177.35 2wr0 n SER 76 N -1.60 -1.47 -4.74 1.45 2.88 -1.26 -5.05 113.62 103.83 2wr0 n SER 76 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2wr0 n SER 76 Cb 0.00 -0.73 0.06 0.00 -0.75 0.00 0.00 64.21 62.79 2wr0 n SER 76 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2wr0 s VAL 77 N 0.00 2.52 -1.55 2.46 -7.23 -1.26 -4.92 120.40 110.42 2wr0 s VAL 77 Ca 0.00 0.29 0.29 0.00 -1.81 0.00 0.00 61.98 60.75 2wr0 s VAL 77 Cb 0.00 -2.97 0.57 0.00 0.56 0.00 0.00 36.38 34.53 2wr0 s VAL 77 CO 0.00 -0.11 2.00 -0.81 -0.31 0.00 0.00 175.10 175.88 2wr0 n PRO 78 N -2.14 0.51 -3.64 4.82 -0.04 -1.26 -4.79 135.00 128.47 2wr0 n PRO 78 Ca 0.13 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2wr0 n PRO 78 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 2wr0 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wr0 s GLU 79 N -2.45 0.76 0.05 0.54 2.12 -1.26 -1.24 118.70 117.22 2wr0 s GLU 79 Ca 0.30 1.11 -0.13 0.00 0.36 0.00 0.00 54.97 56.62 2wr0 s GLU 79 Cb 0.19 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.86 2wr0 s GLU 79 CO 0.41 -0.13 0.28 1.67 -0.54 0.00 0.00 175.26 176.96 2wr0 s TRP 80 N 1.05 -0.06 -0.50 5.30 -2.14 -1.24 -4.63 118.94 116.72 2wr0 s TRP 80 Ca -0.05 -0.12 0.18 0.00 2.66 0.00 0.00 56.10 58.76 2wr0 s TRP 80 Cb -0.05 0.07 -0.23 0.00 -3.10 0.00 0.00 33.47 30.16 2wr0 s TRP 80 CO -0.10 -0.50 0.60 -1.13 -2.66 0.00 0.00 176.95 173.16 2wr0 n SER 81 N 0.52 0.84 -3.39 -2.66 3.41 -0.58 -2.32 113.62 109.44 2wr0 n SER 81 Ca -0.18 -0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 57.86 2wr0 n SER 81 Cb 0.60 1.34 0.02 0.00 -0.26 0.00 0.00 64.21 65.90 2wr0 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr0 s TYR 82 N -2.90 0.06 -0.04 7.33 -0.85 -1.23 -4.71 117.35 115.02 2wr0 s TYR 82 Ca 0.01 -0.45 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 2wr0 s TYR 82 Cb 0.13 0.70 -0.01 0.00 0.38 0.00 0.00 41.96 43.15 2wr0 s TYR 82 CO 0.73 -0.91 -0.22 0.42 -1.52 0.00 0.00 175.55 174.06 2wr0 s ILE 83 N -2.23 1.77 -0.28 -3.49 1.01 -0.99 -0.56 121.20 116.43 2wr0 s ILE 83 Ca 0.21 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 2wr0 s ILE 83 Cb -0.02 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 41.00 2wr0 s ILE 83 CO 0.05 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.75 2wr0 s VAL 84 N -0.26 2.72 0.52 2.92 1.01 -0.53 0.53 120.40 127.30 2wr0 s VAL 84 Ca 0.02 -1.37 0.05 0.00 0.00 0.00 0.00 61.98 60.68 2wr0 s VAL 84 Cb -0.11 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2wr0 s VAL 84 CO 0.01 -0.00 0.32 -1.61 0.00 0.00 0.00 175.10 173.82 2wr0 s GLU 85 N 1.23 2.26 0.45 2.72 2.02 -0.90 -1.57 118.70 124.91 2wr0 s GLU 85 Ca -0.05 -2.02 0.03 0.00 0.02 0.00 0.00 54.97 52.94 2wr0 s GLU 85 Cb -0.19 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2wr0 s GLU 85 CO -0.03 -0.50 0.64 0.15 0.02 0.00 0.00 175.26 175.54 2wr0 s LYS 86 N -4.18 2.92 0.18 1.61 1.02 -1.19 -1.47 119.74 118.64 2wr0 s LYS 86 Ca 0.32 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.41 2wr0 s LYS 86 Cb -0.01 -2.62 0.15 0.00 -0.52 0.00 0.00 37.83 34.83 2wr0 s LYS 86 CO 0.19 -0.31 1.72 0.93 -0.92 0.00 0.00 175.35 176.96 2wr0 h GLU 87 N 0.45 0.21 -2.73 1.68 4.39 -1.87 -3.36 114.58 113.34 2wr0 h GLU 87 Ca -0.44 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 58.66 2wr0 h GLU 87 Cb 1.27 -0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 29.48 2wr0 h GLU 87 CO 0.54 0.14 -0.82 -0.80 -1.16 0.00 0.00 179.01 176.91 2wr0 s ASN 88 N -5.31 3.21 0.32 1.42 0.02 -1.26 -5.11 114.94 108.23 2wr0 s ASN 88 Ca -0.13 -2.15 -0.28 0.00 -1.02 0.00 0.00 52.86 49.28 2wr0 s ASN 88 Cb 0.14 -0.54 -0.13 0.00 0.02 0.00 0.00 41.25 40.75 2wr0 s ASN 88 CO 0.72 -0.32 1.18 -2.65 0.02 0.00 0.00 177.10 176.05 2wr0 n PRO 89 N 4.12 1.81 0.03 -0.60 -0.02 -1.26 -4.90 135.00 134.19 2wr0 n PRO 89 Ca 0.09 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 2wr0 n PRO 89 Cb 0.37 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 2wr0 n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wr0 h VAL 90 N 2.33 1.35 -3.70 -1.45 2.07 -1.67 -3.44 116.25 111.74 2wr0 h VAL 90 Ca -0.43 -2.07 -0.69 0.00 0.82 0.00 0.00 66.70 64.33 2wr0 h VAL 90 Cb 1.31 2.05 -0.30 0.00 -1.52 0.00 0.00 31.29 32.82 2wr0 h VAL 90 CO 0.62 0.63 -0.64 0.20 0.02 0.00 0.00 177.57 178.40 2wr0 s ASN 91 N -6.99 5.16 0.00 0.57 -0.87 -1.10 -4.96 114.94 106.75 2wr0 s ASN 91 Ca -0.07 -1.22 0.00 0.00 -1.57 0.00 0.00 52.86 50.01 2wr0 s ASN 91 Cb 0.10 -1.81 0.00 0.00 -0.02 0.00 0.00 41.25 39.52 2wr0 s ASN 91 CO 0.85 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.68 2wr0 n GLY 92 N 4.74 2.98 3.57 0.66 0.00 -1.26 -1.02 105.19 114.85 2wr0 n GLY 92 Ca -0.12 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 2wr0 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr0 s LEU 93 N 0.00 3.39 0.12 0.99 1.02 -1.26 -4.17 118.68 118.77 2wr0 s LEU 93 Ca 0.00 -1.48 -0.26 0.00 0.02 0.00 0.00 54.13 52.41 2wr0 s LEU 93 Cb 0.00 -2.57 -0.06 0.00 0.02 0.00 0.00 46.19 43.57 2wr0 s LEU 93 CO 0.00 -2.08 1.64 0.00 0.02 0.00 0.00 176.35 175.93 2wr0 s TYR 95 N -6.07 3.29 0.67 0.00 5.04 -1.26 -4.71 117.35 114.30 2wr0 s TYR 95 Ca -0.15 1.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.66 2wr0 s TYR 95 Cb 0.09 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 39.06 2wr0 s TYR 95 CO 0.66 -0.92 1.15 -1.25 -1.34 0.00 0.00 175.55 173.85 2wr0 s PRO 96 N 2.26 2.65 0.00 4.97 0.05 -1.24 -4.78 135.00 138.91 2wr0 s PRO 96 Ca 0.53 1.58 0.00 0.00 0.05 0.00 0.00 61.00 63.16 2wr0 s PRO 96 Cb -0.22 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.42 2wr0 s PRO 96 CO 0.19 -1.41 0.00 0.41 0.05 0.00 0.00 177.00 176.25 2wr0 n GLY 97 N -0.04 -0.59 3.36 0.56 0.00 -1.26 -1.29 105.19 105.94 2wr0 n GLY 97 Ca 0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2wr0 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr0 s SER 98 N -4.00 -0.02 -0.11 1.61 1.04 -0.85 -4.92 113.70 106.46 2wr0 s SER 98 Ca 0.00 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2wr0 s SER 98 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2wr0 s SER 98 CO 0.00 -0.91 -0.03 0.12 0.98 0.00 0.00 173.24 173.40 2wr0 s PHE 99 N -3.93 1.11 0.19 5.02 5.36 -1.26 -1.13 117.98 123.34 2wr0 s PHE 99 Ca 0.14 -0.54 -0.30 0.00 -0.96 0.00 0.00 56.93 55.27 2wr0 s PHE 99 Cb 0.03 -1.04 -0.08 0.00 -0.34 0.00 0.00 43.02 41.59 2wr0 s PHE 99 CO -0.02 -0.45 1.24 -0.80 -1.46 0.00 0.00 175.22 173.73 2wr0 s ASN 100 N 1.83 7.01 -1.55 6.13 0.01 0.44 -3.39 114.94 125.42 2wr0 s ASN 100 Ca 0.04 2.31 -0.13 0.00 -0.71 0.00 0.00 52.86 54.37 2wr0 s ASN 100 Cb -0.13 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.01 2wr0 s ASN 100 CO -0.07 -0.43 0.87 0.47 -1.51 0.00 0.00 177.10 176.43 2wr0 n ASP 101 N 2.50 -3.77 -0.25 -1.22 8.00 -1.26 -4.66 116.55 115.89 2wr0 n ASP 101 Ca 0.05 -0.86 -0.07 0.00 0.71 0.00 0.00 54.79 54.62 2wr0 n ASP 101 Cb 0.44 -3.56 0.04 0.00 -0.02 0.00 0.00 41.12 38.02 2wr0 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr0 h TYR 102 N -1.91 1.14 -0.62 1.24 3.20 -1.96 -2.29 116.97 115.78 2wr0 h TYR 102 Ca -0.59 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.09 2wr0 h TYR 102 Cb 1.38 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2wr0 h TYR 102 CO 0.57 0.92 0.13 0.93 -1.64 0.00 0.00 178.16 179.07 2wr0 h GLU 103 N 1.03 1.00 -0.72 1.82 3.07 -1.89 -1.52 114.58 117.36 2wr0 h GLU 103 Ca 0.22 -0.25 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2wr0 h GLU 103 Cb 0.34 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.08 2wr0 h GLU 103 CO -0.00 0.92 0.45 0.93 -1.40 0.00 0.00 179.01 179.91 2wr0 h GLU 104 N 0.92 0.85 0.15 2.33 4.39 -1.88 0.04 114.58 121.38 2wr0 h GLU 104 Ca 0.19 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2wr0 h GLU 104 Cb 0.38 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2wr0 h GLU 104 CO 0.01 0.56 -0.12 1.25 -1.16 0.00 0.00 179.01 179.55 2wr0 h LEU 105 N 0.88 -0.31 -0.80 1.33 5.85 -1.12 -1.35 115.31 119.79 2wr0 h LEU 105 Ca 0.29 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.16 2wr0 h LEU 105 Cb 0.04 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2wr0 h LEU 105 CO -0.12 -0.19 0.40 0.11 -0.34 0.00 0.00 178.44 178.30 2wr0 h LYS 106 N -0.29 0.60 -0.14 1.25 1.57 -0.93 -0.90 116.57 117.74 2wr0 h LYS 106 Ca -0.01 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2wr0 h LYS 106 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2wr0 h LYS 106 CO -0.01 0.40 -0.19 1.25 -0.57 0.00 0.00 179.45 180.32 2wr0 h HIS 107 N 0.62 0.25 -0.46 -1.35 2.76 -0.60 -2.97 115.15 113.40 2wr0 h HIS 107 Ca 0.42 -0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.41 2wr0 h HIS 107 Cb 0.53 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2wr0 h HIS 107 CO -0.10 0.42 -0.26 1.25 -1.30 0.00 0.00 177.93 177.94 2wr0 h LEU 108 N 0.22 1.02 -2.96 0.26 5.85 -0.03 -3.19 115.31 116.48 2wr0 h LEU 108 Ca 0.04 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2wr0 h LEU 108 Cb 0.47 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2wr0 h LEU 108 CO 0.03 1.21 0.00 2.30 -0.34 0.00 0.00 178.44 181.64 2wr0 n ILE 109 N -4.09 1.74 0.22 4.05 -5.35 -1.00 -4.41 119.36 110.52 2wr0 n ILE 109 Ca -0.01 -1.11 0.06 0.00 -0.27 0.00 0.00 62.75 61.42 2wr0 n ILE 109 Cb 0.48 0.09 0.49 0.00 -1.74 0.00 0.00 39.64 38.96 2wr0 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wr0 h THR 110 N 3.88 1.08 -2.77 7.28 1.03 -1.51 -3.41 112.91 118.49 2wr0 h THR 110 Ca 0.00 -0.81 -0.14 0.00 -0.01 0.00 0.00 66.41 65.45 2wr0 h THR 110 Cb 1.40 1.45 -0.27 0.00 -1.07 0.00 0.00 68.15 69.65 2wr0 h THR 110 CO 0.23 0.22 -0.36 -0.55 -0.01 0.00 0.00 175.52 175.06 2wr0 s SER 111 N -6.85 -0.44 0.22 0.00 0.15 -1.26 -3.50 113.70 102.02 2wr0 s SER 111 Ca -0.03 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 2wr0 s SER 111 Cb 0.15 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 2wr0 s SER 111 CO 0.69 -0.18 0.19 0.68 1.20 0.00 0.00 173.24 175.82 2wr0 s VAL 112 N 1.34 0.00 -0.08 4.45 -7.23 -0.98 -4.34 120.40 113.56 2wr0 s VAL 112 Ca -0.09 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 57.89 2wr0 s VAL 112 Cb -0.09 -2.46 -0.23 0.00 0.56 0.00 0.00 36.38 34.16 2wr0 s VAL 112 CO -0.11 0.00 1.03 0.74 -0.31 0.00 0.00 175.10 176.45 2wr0 h THR 113 N 2.53 1.59 -0.61 5.32 2.02 0.45 -3.30 112.91 120.90 2wr0 h THR 113 Ca -0.34 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.11 2wr0 h THR 113 Cb 1.25 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2wr0 h THR 113 CO 0.49 0.45 0.00 1.57 0.37 0.00 0.00 175.52 178.40 2wr0 n HIS 114 N -4.73 0.00 -3.65 3.16 -0.00 -0.43 -4.71 115.22 104.86 2wr0 n HIS 114 Ca -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.57 2wr0 n HIS 114 Cb 0.37 -0.42 -0.06 0.00 -0.00 0.00 0.00 29.99 29.87 2wr0 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr0 s PHE 115 N 0.00 -1.13 -0.17 1.57 5.36 -0.37 -1.52 117.98 121.71 2wr0 s PHE 115 Ca 0.00 2.15 -0.07 0.00 -0.96 0.00 0.00 56.93 58.06 2wr0 s PHE 115 Cb 0.00 0.67 0.08 0.00 -0.34 0.00 0.00 43.02 43.43 2wr0 s PHE 115 CO 0.00 -0.56 0.38 -2.00 -1.46 0.00 0.00 175.22 171.57 2wr0 s GLU 116 N 2.03 0.30 0.19 10.12 2.12 0.10 -4.64 118.70 128.92 2wr0 s GLU 116 Ca -0.09 0.89 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 2wr0 s GLU 116 Cb -0.07 0.15 -0.08 0.00 0.26 0.00 0.00 34.13 34.38 2wr0 s GLU 116 CO -0.19 -0.23 1.22 0.21 -0.54 0.00 0.00 175.26 175.73 2wr0 s LYS 117 N 2.22 4.47 -0.01 4.30 2.20 -1.26 -0.13 119.74 131.53 2wr0 s LYS 117 Ca -0.03 1.92 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 2wr0 s LYS 117 Cb -0.11 -3.23 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2wr0 s LYS 117 CO -0.12 -0.12 -0.04 0.08 -0.36 0.00 0.00 175.35 174.79 2wr0 s VAL 118 N -0.08 0.36 -0.31 4.02 1.01 0.14 -4.92 120.40 120.62 2wr0 s VAL 118 Ca 0.53 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 2wr0 s VAL 118 Cb -0.34 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2wr0 s VAL 118 CO 0.37 0.11 0.94 -0.75 0.00 0.00 0.00 175.10 175.77 2wr0 s LYS 119 N -0.03 4.02 -0.05 2.72 2.20 -1.26 -0.38 119.74 126.96 2wr0 s LYS 119 Ca 0.01 0.85 0.09 0.00 -0.36 0.00 0.00 55.97 56.56 2wr0 s LYS 119 Cb -0.03 -3.73 -0.14 0.00 -1.51 0.00 0.00 37.83 32.43 2wr0 s LYS 119 CO -0.00 -0.79 0.13 0.44 -0.36 0.00 0.00 175.35 174.77 2wr0 n ILE 120 N 5.69 0.32 -3.30 5.43 -5.35 -0.30 -4.82 119.36 117.03 2wr0 n ILE 120 Ca 0.08 -0.31 -0.26 0.00 -0.27 0.00 0.00 62.75 61.99 2wr0 n ILE 120 Cb 0.47 -0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 38.05 2wr0 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr0 n LEU 121 N -2.10 -0.10 -4.59 7.28 4.77 -0.99 -4.91 117.00 116.35 2wr0 n LEU 121 Ca -0.08 -4.54 -0.59 0.00 -0.03 0.00 0.00 56.01 50.77 2wr0 n LEU 121 Cb 0.53 0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 42.12 2wr0 n LEU 121 CO 0.20 1.96 0.85 -2.65 -1.33 0.00 0.00 177.39 176.43 2wr0 n PRO 122 N 2.12 0.43 0.22 3.23 -0.02 -1.26 -4.58 135.00 135.13 2wr0 n PRO 122 Ca 0.26 0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 2wr0 n PRO 122 Cb 0.50 -1.71 0.50 0.00 -0.02 0.00 0.00 33.50 32.77 2wr0 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr0 h ARG 123 N 4.25 0.00 0.00 -0.52 0.11 -1.95 -2.47 114.38 113.80 2wr0 h ARG 123 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2wr0 h ARG 123 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2wr0 h ARG 123 CO 0.78 0.24 0.00 -0.40 0.10 0.00 0.00 179.97 180.69 2wr0 n ASP 124 N -4.02 0.48 -0.58 0.08 5.75 -1.26 -2.49 116.55 114.51 2wr0 n ASP 124 Ca -0.02 0.67 0.12 0.00 -0.01 0.00 0.00 54.79 55.55 2wr0 n ASP 124 Cb 0.32 -0.75 0.42 0.00 -1.03 0.00 0.00 41.12 40.07 2wr0 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr0 n GLN 125 N -2.09 1.79 -2.09 0.11 6.02 -0.93 -4.17 117.38 116.02 2wr0 n GLN 125 Ca 0.01 -1.16 -0.42 0.00 -0.01 0.00 0.00 57.00 55.41 2wr0 n GLN 125 Cb 0.12 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 2wr0 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr0 n TRP 126 N 0.39 4.01 0.27 1.08 7.02 -1.04 -4.77 117.44 124.41 2wr0 n TRP 126 Ca 0.18 -2.92 0.16 0.00 -1.02 0.00 0.00 57.50 53.90 2wr0 n TRP 126 Cb 0.38 -2.59 0.57 0.00 -2.42 0.00 0.00 31.31 27.24 2wr0 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr0 h THR 127 N 4.67 0.00 -0.36 -0.99 1.35 -1.88 -3.14 112.91 112.56 2wr0 h THR 127 Ca 0.52 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2wr0 h THR 127 Cb 0.74 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2wr0 h THR 127 CO 1.71 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.98 2wr0 n GLN 128 N -3.07 2.50 -4.22 4.72 6.02 -1.26 -4.96 117.38 117.10 2wr0 n GLN 128 Ca 0.01 -2.27 -0.13 0.00 -0.01 0.00 0.00 57.00 54.60 2wr0 n GLN 128 Cb 0.36 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 2wr0 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr0 s HIS 129 N -1.52 1.12 0.25 1.08 3.76 -1.19 -4.49 115.29 114.30 2wr0 s HIS 129 Ca 0.38 -0.87 -0.21 0.00 -0.15 0.00 0.00 55.06 54.21 2wr0 s HIS 129 Cb 0.23 -0.61 -0.09 0.00 1.11 0.00 0.00 32.58 33.22 2wr0 s HIS 129 CO 0.32 -0.06 0.77 0.99 -0.85 0.00 0.00 174.74 175.90 2wr0 s THR 130 N -3.50 4.50 0.00 1.30 2.01 -0.14 -4.88 115.64 114.93 2wr0 s THR 130 Ca 0.16 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.54 2wr0 s THR 130 Cb 0.04 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2wr0 s THR 130 CO -0.01 0.17 0.00 1.07 -0.69 0.00 0.00 174.62 175.16 2wr0 n THR 131 N 0.63 0.00 1.39 -0.82 5.66 -1.26 -1.06 114.28 118.81 2wr0 n THR 131 Ca -0.01 -0.09 0.11 0.00 -3.05 0.00 0.00 64.05 61.01 2wr0 n THR 131 Cb 0.51 0.96 0.42 0.00 -1.55 0.00 0.00 70.33 70.67 2wr0 n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wr0 n THR 132 N -0.19 0.16 -1.80 1.09 -2.24 -1.26 -4.38 114.28 105.65 2wr0 n THR 132 Ca 0.00 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2wr0 n THR 132 Cb 0.00 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 2wr0 n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wr0 s GLY 133 N -1.61 2.94 0.37 3.38 0.00 -1.26 -5.01 107.32 106.12 2wr0 s GLY 133 Ca 0.32 1.54 -0.06 0.00 0.00 0.00 0.00 44.72 46.53 2wr0 s GLY 133 CO 0.26 2.21 0.58 -0.32 0.00 0.00 0.00 173.10 175.83 2wr0 s GLY 134 N -0.26 1.20 0.09 0.20 0.00 -1.26 -4.59 107.32 102.70 2wr0 s GLY 134 Ca 0.56 -1.32 0.04 0.00 0.00 0.00 0.00 44.72 44.00 2wr0 s GLY 134 CO 0.61 -0.80 -0.11 -0.45 0.00 0.00 0.00 173.10 172.35 2wr0 s SER 135 N -3.20 1.44 0.52 1.64 0.15 0.22 -4.81 113.70 109.66 2wr0 s SER 135 Ca 0.26 -0.74 0.31 0.00 0.70 0.00 0.00 55.95 56.48 2wr0 s SER 135 Cb -0.02 -0.00 1.14 0.00 -1.71 0.00 0.00 66.02 65.43 2wr0 s SER 135 CO 0.18 -0.21 1.90 -0.09 1.20 0.00 0.00 173.24 176.22 2wr0 h ARG 136 N 3.83 0.00 0.00 5.44 2.43 -1.91 -1.07 114.38 123.09 2wr0 h ARG 136 Ca -0.38 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 2wr0 h ARG 136 Cb 1.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2wr0 h ARG 136 CO 0.49 0.03 -0.10 0.00 -1.51 0.00 0.00 179.97 178.87 2wr0 h ALA 137 N 1.97 1.61 -0.56 2.80 0.00 -1.90 -2.29 119.26 120.89 2wr0 h ALA 137 Ca -0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 2wr0 h ALA 137 Cb 0.62 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.17 2wr0 h ALA 137 CO 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.21 2wr0 s ALA 139 N -3.45 2.76 0.00 0.00 0.00 -0.87 -3.22 121.76 116.98 2wr0 s ALA 139 Ca 0.49 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2wr0 s ALA 139 Cb 0.42 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2wr0 s ALA 139 CO 0.01 -0.61 0.00 0.28 0.00 0.00 0.00 175.76 175.44 2wr0 n VAL 140 N -1.24 0.00 -2.43 0.00 0.31 -1.03 -4.92 118.33 109.02 2wr0 n VAL 140 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 2wr0 n VAL 140 Cb 0.52 -0.50 0.02 0.00 -0.91 0.00 0.00 33.84 32.96 2wr0 n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wr0 n LEU 141 N -0.50 3.85 -2.98 7.52 -0.00 -1.26 -4.69 117.00 118.94 2wr0 n LEU 141 Ca 0.00 -4.59 -0.19 0.00 -0.00 0.00 0.00 56.01 51.23 2wr0 n LEU 141 Cb 0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 43.42 43.23 2wr0 n LEU 141 CO 0.00 1.95 -0.09 -0.90 -0.00 0.00 0.00 177.39 178.35 2wr0 n ASP 142 N -0.48 2.05 -4.80 1.45 5.75 -1.26 -5.15 116.55 114.11 2wr0 n ASP 142 Ca 0.32 -3.16 -0.32 0.00 -0.01 0.00 0.00 54.79 51.62 2wr0 n ASP 142 Cb 0.79 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2wr0 n ASP 142 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wr0 s ASN 143 N -2.88 5.56 0.33 -1.12 -0.87 -1.26 -4.89 114.94 109.81 2wr0 s ASN 143 Ca 0.40 1.76 -0.29 0.00 -1.57 0.00 0.00 52.86 53.16 2wr0 s ASN 143 Cb 0.36 -2.52 -0.11 0.00 -0.02 0.00 0.00 41.25 38.96 2wr0 s ASN 143 CO -0.08 -1.32 1.51 -2.84 -2.57 0.00 0.00 177.10 171.80 2wr0 s PRO 144 N -4.43 4.14 0.00 -0.60 0.02 -1.26 -2.46 135.00 130.41 2wr0 s PRO 144 Ca 0.62 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.17 2wr0 s PRO 144 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2wr0 s PRO 144 CO 0.44 -0.54 0.00 0.45 -0.33 0.00 0.00 177.00 177.02 2wr0 n SER 145 N 1.29 0.11 -3.57 2.53 2.88 -0.44 -4.70 113.62 111.71 2wr0 n SER 145 Ca 0.04 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.51 2wr0 n SER 145 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 2wr0 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr0 s PHE 146 N -0.01 -0.29 -0.20 0.66 5.36 -1.26 0.73 117.98 122.97 2wr0 s PHE 146 Ca 0.00 0.10 -0.40 0.00 -0.96 0.00 0.00 56.93 55.67 2wr0 s PHE 146 Cb 0.00 0.57 -0.17 0.00 -0.34 0.00 0.00 43.02 43.08 2wr0 s PHE 146 CO 0.00 -0.62 1.59 1.19 -1.46 0.00 0.00 175.22 175.91 2wr0 n PHE 147 N -0.31 1.80 0.18 10.12 3.72 -1.26 -4.62 117.46 127.09 2wr0 n PHE 147 Ca -0.08 0.66 0.03 0.00 -0.05 0.00 0.00 57.45 58.01 2wr0 n PHE 147 Cb 0.62 -2.38 0.39 0.00 -0.94 0.00 0.00 39.48 37.16 2wr0 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr0 h ARG 148 N 6.04 0.05 -0.01 -1.08 2.47 -0.44 -2.57 114.38 118.84 2wr0 h ARG 148 Ca -0.47 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2wr0 h ARG 148 Cb 1.34 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2wr0 h ARG 148 CO 0.90 0.34 -0.05 0.09 0.56 0.00 0.00 179.97 181.81 2wr0 n ASN 149 N -4.18 0.75 -4.47 7.04 3.02 -0.90 -4.92 115.26 111.61 2wr0 n ASN 149 Ca -0.02 -1.03 -0.24 0.00 -0.03 0.00 0.00 54.58 53.26 2wr0 n ASN 149 Cb 0.35 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 2wr0 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr0 s MET 150 N -2.18 1.67 -0.12 3.52 -1.94 -0.97 -0.70 119.30 118.58 2wr0 s MET 150 Ca 0.37 -1.77 0.01 0.00 -1.71 0.00 0.00 55.69 52.59 2wr0 s MET 150 Cb 0.21 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 35.33 2wr0 s MET 150 CO 0.40 0.31 -0.13 0.08 -0.01 0.00 0.00 175.02 175.67 2wr0 s VAL 151 N -2.53 1.40 -0.55 -6.03 1.01 0.12 -4.82 120.40 108.99 2wr0 s VAL 151 Ca 0.30 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 2wr0 s VAL 151 Cb -0.04 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.09 2wr0 s VAL 151 CO 0.15 0.42 0.75 0.86 0.00 0.00 0.00 175.10 177.28 2wr0 s TRP 152 N 1.25 2.93 -0.11 5.22 -0.11 -1.26 -1.61 118.94 125.26 2wr0 s TRP 152 Ca -0.02 -0.51 -0.26 0.00 1.22 0.00 0.00 56.10 56.53 2wr0 s TRP 152 Cb -0.14 -3.84 -0.02 0.00 -1.50 0.00 0.00 33.47 27.97 2wr0 s TRP 152 CO -0.05 -1.23 0.85 -0.51 -4.62 0.00 0.00 176.95 171.39 2wr0 s LEU 153 N 3.10 4.24 0.37 5.86 1.43 -1.23 -4.07 118.68 128.39 2wr0 s LEU 153 Ca 0.18 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2wr0 s LEU 153 Cb -0.18 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2wr0 s LEU 153 CO 0.12 -0.33 0.12 0.42 0.23 0.00 0.00 176.35 176.91 2wr0 s THR 154 N 1.68 0.69 0.62 5.49 -4.23 -0.23 -4.67 115.64 114.99 2wr0 s THR 154 Ca 0.42 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.77 2wr0 s THR 154 Cb -0.18 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2wr0 s THR 154 CO 0.17 0.00 1.10 -1.59 -0.54 0.00 0.00 174.62 173.76 2wr0 s LYS 155 N -3.78 3.04 -0.31 3.99 -2.85 -0.15 -0.97 119.74 118.71 2wr0 s LYS 155 Ca 0.29 1.40 -0.08 0.00 -1.00 0.00 0.00 55.97 56.58 2wr0 s LYS 155 Cb 0.04 -1.98 0.01 0.00 -2.06 0.00 0.00 37.83 33.84 2wr0 s LYS 155 CO 0.15 -1.07 0.12 0.21 0.10 0.00 0.00 175.35 174.87 2wr0 s LYS 156 N -3.90 3.11 7.03 1.78 2.20 0.59 -4.11 119.74 126.44 2wr0 s LYS 156 Ca 0.68 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2wr0 s LYS 156 Cb -0.20 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 2wr0 s LYS 156 CO 0.37 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2wr0 n GLY 157 N 4.92 2.69 0.71 5.54 0.00 -1.26 -1.45 105.19 116.34 2wr0 n GLY 157 Ca -0.14 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2wr0 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr0 n SER 158 N 10.23 2.74 -4.30 1.61 3.41 -1.26 -5.00 113.62 121.05 2wr0 n SER 158 Ca 0.00 -1.82 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 2wr0 n SER 158 Cb 0.00 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 2wr0 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr0 s ASN 159 N -1.09 3.64 -0.62 4.04 0.02 -0.53 -4.86 114.94 115.54 2wr0 s ASN 159 Ca 0.24 -0.44 0.01 0.00 -1.02 0.00 0.00 52.86 51.66 2wr0 s ASN 159 Cb 0.14 -1.54 0.16 0.00 0.02 0.00 0.00 41.25 40.03 2wr0 s ASN 159 CO 0.19 0.14 0.41 -0.47 0.02 0.00 0.00 177.10 177.39 2wr0 s TYR 160 N 0.47 3.38 0.96 2.20 5.04 -1.26 -0.30 117.35 127.84 2wr0 s TYR 160 Ca -0.12 -3.05 -0.12 0.00 -2.44 0.00 0.00 57.07 51.34 2wr0 s TYR 160 Cb -0.16 -2.96 0.16 0.00 0.35 0.00 0.00 41.96 39.35 2wr0 s TYR 160 CO 0.05 -0.74 1.10 -1.25 -1.34 0.00 0.00 175.55 173.37 2wr0 s PRO 161 N -0.54 0.76 0.47 4.97 0.05 -1.26 -4.90 135.00 134.56 2wr0 s PRO 161 Ca 0.19 0.55 -0.24 0.00 0.05 0.00 0.00 61.00 61.55 2wr0 s PRO 161 Cb -0.19 -1.77 -0.07 0.00 0.05 0.00 0.00 34.50 32.51 2wr0 s PRO 161 CO -0.05 -2.51 1.41 -1.50 0.05 0.00 0.00 177.00 174.40 2wr0 s ILE 162 N -3.01 2.07 -0.37 0.56 2.07 -1.26 -4.86 121.20 116.40 2wr0 s ILE 162 Ca 0.64 0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.87 2wr0 s ILE 162 Cb -0.18 -3.04 0.05 0.00 0.13 0.00 0.00 42.46 39.43 2wr0 s ILE 162 CO 0.57 0.01 0.16 0.00 -1.91 0.00 0.00 174.94 173.76 2wr0 s ALA 163 N -1.23 3.14 -0.22 1.50 0.00 0.66 -4.96 121.76 120.66 2wr0 s ALA 163 Ca 0.63 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2wr0 s ALA 163 Cb -0.43 -2.42 0.06 0.00 0.00 0.00 0.00 23.12 20.33 2wr0 s ALA 163 CO 0.54 -1.43 -0.04 0.15 0.00 0.00 0.00 175.76 174.98 2wr0 s LYS 164 N 1.42 1.47 0.03 0.00 1.02 -1.26 -1.34 119.74 121.09 2wr0 s LYS 164 Ca 0.00 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 2wr0 s LYS 164 Cb -0.20 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2wr0 s LYS 164 CO 0.03 -0.58 0.02 1.03 -0.92 0.00 0.00 175.35 174.94 2wr0 s ARG 165 N 1.49 0.47 0.12 1.68 0.52 -0.99 -5.03 118.95 117.22 2wr0 s ARG 165 Ca -0.04 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2wr0 s ARG 165 Cb -0.18 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 2wr0 s ARG 165 CO -0.07 -0.10 -0.01 -1.54 0.02 0.00 0.00 175.30 173.61 2wr0 s SER 166 N -1.96 0.79 -0.07 0.23 1.04 -1.26 -1.04 113.70 111.43 2wr0 s SER 166 Ca -0.08 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.20 2wr0 s SER 166 Cb -0.03 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.29 2wr0 s SER 166 CO -0.04 -0.60 0.16 -0.47 0.98 0.00 0.00 173.24 173.27 2wr0 s TYR 167 N -3.81 -0.18 -0.22 5.02 5.04 -0.75 -4.98 117.35 117.47 2wr0 s TYR 167 Ca 0.18 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 55.16 2wr0 s TYR 167 Cb 0.07 -0.01 -0.05 0.00 0.35 0.00 0.00 41.96 42.33 2wr0 s TYR 167 CO -0.02 -0.13 0.25 1.21 -1.34 0.00 0.00 175.55 175.52 2wr0 s ASN 168 N 0.68 6.26 -1.24 4.32 3.84 -1.26 -1.43 114.94 126.12 2wr0 s ASN 168 Ca -0.05 0.30 -0.20 0.00 0.21 0.00 0.00 52.86 53.12 2wr0 s ASN 168 Cb -0.07 -2.15 -0.01 0.00 -0.55 0.00 0.00 41.25 38.47 2wr0 s ASN 168 CO -0.03 0.03 1.85 -3.20 -2.79 0.00 0.00 177.10 172.96 2wr0 n ASN 169 N 4.22 4.00 -0.36 -4.21 5.15 0.44 -4.67 115.26 119.83 2wr0 n ASN 169 Ca -0.13 -2.81 0.09 0.00 -0.60 0.00 0.00 54.58 51.13 2wr0 n ASN 169 Cb 0.52 -1.71 0.37 0.00 -0.53 0.00 0.00 39.78 38.43 2wr0 n ASN 169 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2wr0 n THR 170 N 6.89 0.16 -0.25 -0.44 -2.24 -1.26 -0.69 114.28 116.45 2wr0 n THR 170 Ca 0.48 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 2wr0 n THR 170 Cb 0.46 0.13 0.19 0.00 -2.10 0.00 0.00 70.33 69.01 2wr0 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr0 h SER 171 N 1.37 0.95 0.00 3.42 4.64 -1.98 -3.47 113.55 118.48 2wr0 h SER 171 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2wr0 h SER 171 Cb 0.30 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2wr0 h SER 171 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2wr0 n GLY 172 N -1.30 1.52 3.22 -0.77 0.00 -1.26 -5.09 105.19 101.50 2wr0 n GLY 172 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2wr0 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr0 s GLU 173 N -0.32 0.98 0.53 1.61 2.02 -1.26 -5.00 118.70 117.26 2wr0 s GLU 173 Ca 0.00 -1.42 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 2wr0 s GLU 173 Cb 0.00 -0.40 -0.07 0.00 0.10 0.00 0.00 34.13 33.76 2wr0 s GLU 173 CO 0.00 0.00 0.97 1.04 0.02 0.00 0.00 175.26 177.29 2wr0 n GLN 174 N -0.14 1.10 -3.96 1.61 6.02 -1.25 -4.47 117.38 116.29 2wr0 n GLN 174 Ca -0.10 0.41 -0.29 0.00 -0.01 0.00 0.00 57.00 57.01 2wr0 n GLN 174 Cb 0.61 -2.10 -0.17 0.00 1.02 0.00 0.00 30.24 29.60 2wr0 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr0 s MET 175 N -2.41 1.91 -0.07 -1.09 1.75 -0.06 -0.96 119.30 118.36 2wr0 s MET 175 Ca 0.70 -0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 54.36 2wr0 s MET 175 Cb -0.47 -1.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 2wr0 s MET 175 CO 0.52 -0.29 1.47 -1.17 -0.65 0.00 0.00 175.02 174.89 2wr0 s LEU 176 N 1.57 4.28 -0.05 4.11 2.96 -0.09 -0.15 118.68 131.31 2wr0 s LEU 176 Ca 0.04 2.04 0.04 0.00 -0.22 0.00 0.00 54.13 56.03 2wr0 s LEU 176 Cb -0.13 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2wr0 s LEU 176 CO -0.09 -0.82 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.31 2wr0 s ILE 177 N 3.43 1.49 0.02 6.68 1.01 -0.21 -1.57 121.20 132.05 2wr0 s ILE 177 Ca 0.65 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.63 2wr0 s ILE 177 Cb -0.29 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2wr0 s ILE 177 CO 0.24 0.43 -0.21 -0.63 0.00 0.00 0.00 174.94 174.77 2wr0 s ILE 178 N 0.09 2.54 0.19 2.92 1.01 -1.26 -1.27 121.20 125.41 2wr0 s ILE 178 Ca -0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 2wr0 s ILE 178 Cb -0.12 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2wr0 s ILE 178 CO 0.03 0.41 0.34 -1.66 0.00 0.00 0.00 174.94 174.07 2wr0 s TRP 179 N -0.82 0.38 0.23 3.97 -2.14 -0.08 -3.84 118.94 116.63 2wr0 s TRP 179 Ca 0.13 -0.73 -0.06 0.00 2.66 0.00 0.00 56.10 58.10 2wr0 s TRP 179 Cb -0.10 0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.26 2wr0 s TRP 179 CO 0.03 -0.80 0.30 0.20 -2.66 0.00 0.00 176.95 174.02 2wr0 s GLY 180 N -2.98 1.07 -0.00 3.67 0.00 -0.37 0.80 107.32 109.50 2wr0 s GLY 180 Ca 0.19 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.59 2wr0 s GLY 180 CO 0.02 -1.05 -0.08 -1.50 0.00 0.00 0.00 173.10 170.49 2wr0 s ILE 181 N -4.04 0.61 -0.16 0.90 2.07 -0.19 -0.20 121.20 120.18 2wr0 s ILE 181 Ca 0.32 -0.35 -0.14 0.00 -1.41 0.00 0.00 60.65 59.06 2wr0 s ILE 181 Cb 0.03 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 2wr0 s ILE 181 CO 0.11 0.16 0.31 -2.28 -1.91 0.00 0.00 174.94 171.33 2wr0 s HIS 182 N -0.21 3.46 -0.44 3.50 5.65 -0.17 -1.41 115.29 125.66 2wr0 s HIS 182 Ca 0.03 0.62 -0.09 0.00 0.25 0.00 0.00 55.06 55.86 2wr0 s HIS 182 Cb -0.03 -2.37 0.10 0.00 -1.18 0.00 0.00 32.58 29.10 2wr0 s HIS 182 CO -0.00 0.22 0.30 -1.01 -0.65 0.00 0.00 174.74 173.60 2wr0 s HIS 183 N 0.52 3.38 1.16 3.88 0.09 0.81 -4.82 115.29 120.30 2wr0 s HIS 183 Ca 0.17 -1.68 -0.15 0.00 -0.00 0.00 0.00 55.06 53.40 2wr0 s HIS 183 Cb -0.13 -3.22 0.27 0.00 -0.00 0.00 0.00 32.58 29.50 2wr0 s HIS 183 CO 0.04 -0.92 1.05 -2.14 -0.00 0.00 0.00 174.74 172.78 2wr0 s PRO 184 N 1.40 -0.85 0.17 8.40 0.02 -1.26 -1.78 135.00 141.10 2wr0 s PRO 184 Ca 0.04 0.45 0.08 0.00 0.02 0.00 0.00 61.00 61.59 2wr0 s PRO 184 Cb -0.25 -1.59 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 2wr0 s PRO 184 CO 0.01 -3.58 1.40 -0.91 -0.33 0.00 0.00 177.00 173.59 2wr0 h ASN 185 N -2.50 0.03 -5.11 2.53 2.35 -1.85 -3.35 115.58 107.68 2wr0 h ASN 185 Ca -0.55 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.26 2wr0 h ASN 185 Cb 1.33 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 2wr0 h ASN 185 CO 0.48 0.88 0.33 1.51 -1.65 0.00 0.00 177.43 178.97 2wr0 s ASP 186 N -6.78 -0.14 0.28 5.81 1.47 -1.26 -4.34 116.67 111.71 2wr0 s ASP 186 Ca -0.00 -0.73 -0.03 0.00 1.18 0.00 0.00 52.55 52.97 2wr0 s ASP 186 Cb 0.11 0.69 0.37 0.00 -0.34 0.00 0.00 42.92 43.76 2wr0 s ASP 186 CO 0.80 -1.32 1.90 0.44 0.68 0.00 0.00 175.17 177.66 2wr0 h ASP 187 N 2.00 0.94 -0.30 2.11 3.45 -1.99 -1.52 116.42 121.12 2wr0 h ASP 187 Ca -0.25 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.13 2wr0 h ASP 187 Cb 1.24 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 2wr0 h ASP 187 CO 0.30 0.77 0.20 0.00 -1.57 0.00 0.00 179.24 178.93 2wr0 h ALA 188 N 1.39 0.38 -0.98 3.45 0.00 -1.99 0.97 119.26 122.48 2wr0 h ALA 188 Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2wr0 h ALA 188 Cb 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2wr0 h ALA 188 CO -0.04 -0.15 0.64 1.49 0.00 0.00 0.00 179.25 181.19 2wr0 h GLU 189 N 0.40 1.22 -0.86 0.00 4.81 -1.86 0.15 114.58 118.44 2wr0 h GLU 189 Ca 0.11 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2wr0 h GLU 189 Cb -0.04 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.02 2wr0 h GLU 189 CO -0.02 0.81 0.41 0.37 -0.73 0.00 0.00 179.01 179.85 2wr0 h GLN 190 N 1.26 1.23 -0.15 1.92 5.75 -0.32 -0.77 115.11 124.03 2wr0 h GLN 190 Ca 0.38 -0.18 -0.21 0.00 -0.15 0.00 0.00 58.65 58.49 2wr0 h GLN 190 Cb -0.04 -0.22 0.01 0.00 1.07 0.00 0.00 27.48 28.30 2wr0 h GLN 190 CO -0.11 0.94 -0.76 0.00 -2.65 0.00 0.00 178.83 176.26 2wr0 h ARG 191 N 1.22 0.72 -0.46 1.69 3.08 0.01 -0.30 114.38 120.34 2wr0 h ARG 191 Ca 0.29 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2wr0 h ARG 191 Cb 0.12 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2wr0 h ARG 191 CO -0.04 1.19 0.29 1.15 -1.07 0.00 0.00 179.97 181.50 2wr0 h THR 192 N 0.50 1.10 0.15 2.04 2.02 -0.35 0.37 112.91 118.74 2wr0 h THR 192 Ca -0.04 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 66.61 2wr0 h THR 192 Cb 1.37 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2wr0 h THR 192 CO 0.15 0.11 -1.57 -0.07 0.37 0.00 0.00 175.52 174.51 2wr0 h LEU 193 N 0.60 0.50 -0.98 2.58 3.38 -1.17 -3.41 115.31 116.81 2wr0 h LEU 193 Ca 0.17 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2wr0 h LEU 193 Cb -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2wr0 h LEU 193 CO -0.05 1.56 0.00 -1.22 0.09 0.00 0.00 178.44 178.82 2wr0 n TYR 194 N -3.52 0.00 0.00 1.13 4.01 -0.14 -0.98 117.16 117.67 2wr0 n TYR 194 Ca -0.18 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2wr0 n TYR 194 Cb 1.06 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 2wr0 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr0 n GLN 195 N -0.06 0.00 -3.83 -0.72 -0.06 0.13 -4.53 117.38 108.31 2wr0 n GLN 195 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 2wr0 n GLN 195 Cb 0.12 -0.13 -0.05 0.00 -4.06 0.00 0.00 30.24 26.12 2wr0 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr0 s ASN 196 N 0.00 6.43 0.39 1.69 0.01 -1.26 -4.64 114.94 117.56 2wr0 s ASN 196 Ca 0.00 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.64 2wr0 s ASN 196 Cb 0.00 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.61 2wr0 s ASN 196 CO 0.00 0.25 0.56 0.54 -1.51 0.00 0.00 177.10 176.94 2wr0 s VAL 197 N -1.32 4.00 -0.39 1.60 0.11 -1.26 -4.62 120.40 118.51 2wr0 s VAL 197 Ca 0.28 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2wr0 s VAL 197 Cb -0.13 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.29 2wr0 s VAL 197 CO 0.18 -0.22 0.33 0.61 -3.33 0.00 0.00 175.10 172.66 2wr0 n GLY 198 N -1.84 0.18 3.89 6.54 0.00 -1.26 -5.06 105.19 107.64 2wr0 n GLY 198 Ca 0.01 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2wr0 n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr0 n THR 199 N -2.07 0.00 -3.68 2.61 -2.24 -1.26 -5.05 114.28 102.58 2wr0 n THR 199 Ca -0.07 -2.20 -0.11 0.00 -2.27 0.00 0.00 64.05 59.40 2wr0 n THR 199 Cb 0.55 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 2wr0 n THR 199 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2wr0 s TYR 200 N -2.78 -0.17 -0.11 4.78 -0.85 -1.26 -4.34 117.35 112.63 2wr0 s TYR 200 Ca 0.35 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.86 2wr0 s TYR 200 Cb -0.03 0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 2wr0 s TYR 200 CO 0.22 -0.62 -0.17 0.08 -1.52 0.00 0.00 175.55 173.54 2wr0 s VAL 201 N -3.23 2.67 -0.06 -3.49 1.01 -0.00 -2.24 120.40 115.05 2wr0 s VAL 201 Ca -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2wr0 s VAL 201 Cb 0.01 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2wr0 s VAL 201 CO -0.08 0.54 -0.09 -0.55 0.00 0.00 0.00 175.10 174.92 2wr0 s SER 202 N 0.29 1.50 -0.05 3.32 0.15 -0.27 -1.09 113.70 117.55 2wr0 s SER 202 Ca -0.13 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.31 2wr0 s SER 202 Cb -0.16 -0.69 0.01 0.00 -1.71 0.00 0.00 66.02 63.46 2wr0 s SER 202 CO 0.07 -0.00 -0.10 -0.69 1.20 0.00 0.00 173.24 173.72 2wr0 s VAL 203 N 0.80 0.89 -0.01 4.45 1.01 0.06 -0.86 120.40 126.76 2wr0 s VAL 203 Ca -0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2wr0 s VAL 203 Cb -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2wr0 s VAL 203 CO 0.02 0.29 0.02 -0.83 0.00 0.00 0.00 175.10 174.60 2wr0 s GLY 204 N 0.54 0.01 0.00 4.51 0.00 -0.47 -0.93 107.32 110.98 2wr0 s GLY 204 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2wr0 s GLY 204 CO 0.02 0.20 0.00 -1.30 0.00 0.00 0.00 173.10 172.02 2wr0 n THR 205 N 3.34 0.00 0.24 0.90 -2.24 0.40 -0.04 114.28 116.87 2wr0 n THR 205 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2wr0 n THR 205 Cb 0.58 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.37 2wr0 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr0 h SER 206 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.33 113.55 111.67 2wr0 h SER 206 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wr0 h SER 206 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wr0 h SER 206 CO 0.00 0.19 -0.96 0.35 -1.14 0.00 0.00 176.83 175.27 2wr0 n THR 207 N -3.48 0.00 -4.09 -2.27 -2.24 -1.26 -5.02 114.28 95.92 2wr0 n THR 207 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2wr0 n THR 207 Cb 0.36 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 2wr0 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr0 s LEU 208 N -3.06 3.65 -0.29 3.22 2.96 -1.25 -5.06 118.68 118.84 2wr0 s LEU 208 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2wr0 s LEU 208 Cb 0.00 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 44.86 2wr0 s LEU 208 CO 0.00 0.16 0.06 0.21 -1.32 0.00 0.00 176.35 175.46 2wr0 s ASN 209 N 0.44 4.05 -0.04 3.68 2.47 -1.26 -0.46 114.94 123.82 2wr0 s ASN 209 Ca 0.01 -1.59 0.04 0.00 0.42 0.00 0.00 52.86 51.75 2wr0 s ASN 209 Cb -0.13 -1.05 -0.00 0.00 -1.45 0.00 0.00 41.25 38.61 2wr0 s ASN 209 CO 0.01 -0.37 -0.16 -0.75 -3.72 0.00 0.00 177.10 172.11 2wr0 s LYS 210 N 1.45 1.73 -0.09 0.43 2.20 -0.11 -5.01 119.74 120.33 2wr0 s LYS 210 Ca 0.06 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2wr0 s LYS 210 Cb -0.18 -1.50 0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2wr0 s LYS 210 CO -0.17 0.23 -0.12 0.50 -0.36 0.00 0.00 175.35 175.43 2wr0 s ARG 211 N 0.06 1.85 0.16 4.03 6.06 -1.26 -0.76 118.95 129.11 2wr0 s ARG 211 Ca -0.04 -0.43 0.10 0.00 -2.50 0.00 0.00 55.73 52.86 2wr0 s ARG 211 Cb -0.11 -1.64 -0.04 0.00 0.06 0.00 0.00 34.95 33.22 2wr0 s ARG 211 CO 0.02 -0.09 -0.19 -1.12 -2.50 0.00 0.00 175.30 171.43 2wr0 s SER 212 N 1.06 3.76 0.04 -2.12 0.01 -0.25 -4.98 113.70 111.23 2wr0 s SER 212 Ca -0.06 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 56.56 2wr0 s SER 212 Cb -0.15 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 2wr0 s SER 212 CO -0.02 0.14 -0.18 -0.63 0.41 0.00 0.00 173.24 172.96 2wr0 s ILE 213 N -1.49 1.46 0.25 1.44 1.01 -1.26 -0.82 121.20 121.78 2wr0 s ILE 213 Ca 0.20 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2wr0 s ILE 213 Cb -0.09 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.00 2wr0 s ILE 213 CO 0.11 0.14 1.48 -2.84 0.00 0.00 0.00 174.94 173.83 2wr0 s PRO 214 N -1.13 4.24 -0.39 2.79 0.02 -1.26 -4.97 135.00 134.30 2wr0 s PRO 214 Ca 0.05 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 2wr0 s PRO 214 Cb -0.08 -3.10 0.09 0.00 0.02 0.00 0.00 34.50 31.43 2wr0 s PRO 214 CO 0.01 -0.48 0.17 -1.21 -0.33 0.00 0.00 177.00 175.16 2wr0 s GLU 215 N -0.20 2.18 -0.10 5.54 2.02 -1.26 -5.04 118.70 121.84 2wr0 s GLU 215 Ca 0.61 -1.64 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 2wr0 s GLU 215 Cb -0.43 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2wr0 s GLU 215 CO 0.42 -0.95 0.56 0.42 0.02 0.00 0.00 175.26 175.74 2wr0 s ILE 216 N 1.21 5.13 0.14 -1.63 1.01 -1.26 -4.70 121.20 121.09 2wr0 s ILE 216 Ca 0.05 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 2wr0 s ILE 216 Cb -0.22 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 2wr0 s ILE 216 CO -0.03 0.29 0.27 0.00 0.00 0.00 0.00 174.94 175.48 2wr0 s ALA 217 N 0.75 -0.14 -0.24 9.38 0.00 -1.26 -5.02 121.76 125.24 2wr0 s ALA 217 Ca 0.30 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2wr0 s ALA 217 Cb -0.16 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2wr0 s ALA 217 CO 0.13 -0.61 0.63 0.99 0.00 0.00 0.00 175.76 176.90 2wr0 s THR 218 N -3.93 4.99 0.05 0.00 2.01 -1.26 -4.59 115.64 112.92 2wr0 s THR 218 Ca 0.13 1.15 0.05 0.00 0.31 0.00 0.00 61.69 63.33 2wr0 s THR 218 Cb 0.03 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2wr0 s THR 218 CO -0.04 0.05 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.67 2wr0 s ARG 219 N 2.32 0.91 0.64 4.92 0.52 -1.26 -5.13 118.95 121.87 2wr0 s ARG 219 Ca 0.27 -0.80 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 2wr0 s ARG 219 Cb -0.16 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 2wr0 s ARG 219 CO 0.09 0.22 1.25 -2.14 0.02 0.00 0.00 175.30 174.74 2wr0 s PRO 220 N -1.27 2.66 0.30 3.54 0.02 -1.26 -4.70 135.00 134.29 2wr0 s PRO 220 Ca 0.01 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 2wr0 s PRO 220 Cb -0.08 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 2wr0 s PRO 220 CO 0.01 -1.48 1.33 0.15 -0.33 0.00 0.00 177.00 176.69 2wr0 s LYS 221 N -3.44 4.34 -0.09 5.54 1.02 -1.26 -4.56 119.74 121.30 2wr0 s LYS 221 Ca 0.79 2.22 0.02 0.00 0.02 0.00 0.00 55.97 59.02 2wr0 s LYS 221 Cb -0.33 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2wr0 s LYS 221 CO 0.38 -0.24 -0.13 0.08 -0.92 0.00 0.00 175.35 174.52 2wr0 s VAL 222 N -0.82 1.28 -1.60 3.17 1.01 -0.20 -4.65 120.40 118.59 2wr0 s VAL 222 Ca 0.52 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2wr0 s VAL 222 Cb -0.40 -1.18 0.15 0.00 0.00 0.00 0.00 36.38 34.95 2wr0 s VAL 222 CO 0.50 0.39 0.71 0.59 0.00 0.00 0.00 175.10 177.29 2wr0 n ASN 223 N 4.05 -3.22 -0.20 3.32 3.02 -1.26 -0.75 115.26 120.22 2wr0 n ASN 223 Ca -0.20 -0.88 -0.03 0.00 -0.03 0.00 0.00 54.58 53.44 2wr0 n ASN 223 Cb 0.51 -2.66 -0.01 0.00 -0.61 0.00 0.00 39.78 37.02 2wr0 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr0 n GLY 224 N -1.29 0.57 3.05 7.41 0.00 -1.26 -4.43 105.19 109.24 2wr0 n GLY 224 Ca 0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2wr0 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr0 s GLN 225 N -1.43 1.91 0.19 1.61 -1.52 0.07 -4.98 119.66 115.51 2wr0 s GLN 225 Ca 0.00 -0.48 0.23 0.00 -1.95 0.00 0.00 55.36 53.16 2wr0 s GLN 225 Cb 0.00 -1.56 0.20 0.00 -0.22 0.00 0.00 33.01 31.44 2wr0 s GLN 225 CO 0.00 0.04 1.24 0.78 -0.25 0.00 0.00 175.29 177.10 2wr0 h GLY 226 N 6.96 0.00 -0.89 3.09 0.00 -1.84 -0.51 103.07 109.88 2wr0 h GLY 226 Ca -0.29 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.56 2wr0 h GLY 226 CO 0.47 0.00 0.38 -0.32 0.00 0.00 0.00 176.54 177.07 2wr0 s GLY 227 N -4.01 1.61 0.06 4.60 0.00 -1.26 -4.47 107.32 103.86 2wr0 s GLY 227 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2wr0 s GLY 227 CO 0.74 0.03 -0.08 0.50 0.00 0.00 0.00 173.10 174.29 2wr0 s ARG 228 N -5.35 0.64 -0.12 2.90 1.81 -0.73 -4.65 118.95 113.44 2wr0 s ARG 228 Ca 0.61 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 2wr0 s ARG 228 Cb -0.12 -0.33 0.02 0.00 -0.45 0.00 0.00 34.95 34.07 2wr0 s ARG 228 CO 0.52 0.05 -0.14 -1.64 -0.68 0.00 0.00 175.30 173.41 2wr0 s MET 229 N -2.20 2.16 -0.23 3.54 -1.94 -0.41 -0.13 119.30 120.08 2wr0 s MET 229 Ca -0.03 -0.52 -0.06 0.00 -1.71 0.00 0.00 55.69 53.36 2wr0 s MET 229 Cb -0.06 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 2wr0 s MET 229 CO -0.01 -0.14 0.04 -2.00 -0.01 0.00 0.00 175.02 172.91 2wr0 s GLU 230 N 1.23 3.63 0.11 2.03 2.12 -0.50 -2.00 118.70 125.33 2wr0 s GLU 230 Ca -0.02 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.87 2wr0 s GLU 230 Cb -0.14 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2wr0 s GLU 230 CO -0.05 -0.13 0.03 -0.06 -0.54 0.00 0.00 175.26 174.51 2wr0 s PHE 231 N 1.42 3.01 0.29 5.30 0.08 -0.29 -1.03 117.98 126.77 2wr0 s PHE 231 Ca 0.05 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.09 2wr0 s PHE 231 Cb -0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2wr0 s PHE 231 CO 0.02 0.50 0.13 -1.12 -0.10 0.00 0.00 175.22 174.65 2wr0 s SER 232 N -2.55 1.49 0.11 1.36 0.01 0.24 -0.42 113.70 113.94 2wr0 s SER 232 Ca 0.27 -1.49 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 2wr0 s SER 232 Cb -0.11 0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.43 2wr0 s SER 232 CO 0.20 -0.82 0.29 -1.66 0.41 0.00 0.00 173.24 171.65 2wr0 s TRP 233 N -3.63 -0.02 0.17 2.43 1.48 -1.26 -0.91 118.94 117.20 2wr0 s TRP 233 Ca 0.36 -0.36 -0.13 0.00 -1.06 0.00 0.00 56.10 54.91 2wr0 s TRP 233 Cb 0.06 0.09 0.01 0.00 -1.16 0.00 0.00 33.47 32.48 2wr0 s TRP 233 CO 0.16 -0.62 0.40 -0.08 -4.06 0.00 0.00 176.95 172.75 2wr0 s THR 234 N -3.83 0.05 -0.30 0.66 -1.32 -0.40 -5.00 115.64 105.50 2wr0 s THR 234 Ca 0.04 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.37 2wr0 s THR 234 Cb 0.03 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 2wr0 s THR 234 CO -0.11 -0.23 0.18 -0.76 -2.21 0.00 0.00 174.62 171.48 2wr0 s LEU 235 N -2.91 4.12 -0.37 9.08 1.43 -1.26 -1.04 118.68 127.73 2wr0 s LEU 235 Ca 0.12 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 2wr0 s LEU 235 Cb 0.01 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.17 2wr0 s LEU 235 CO -0.03 -0.14 0.65 -0.22 0.23 0.00 0.00 176.35 176.85 2wr0 s LEU 236 N 1.70 4.27 0.73 1.79 2.96 0.79 -4.88 118.68 126.04 2wr0 s LEU 236 Ca 0.06 0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 2wr0 s LEU 236 Cb -0.17 -2.81 0.03 0.00 0.50 0.00 0.00 46.19 43.75 2wr0 s LEU 236 CO 0.09 -0.64 1.19 -0.62 -1.32 0.00 0.00 176.35 175.05 2wr0 n GLU 237 N 6.12 0.62 -1.72 1.98 -0.58 -1.26 -0.88 120.64 124.93 2wr0 n GLU 237 Ca -0.01 0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.59 2wr0 n GLU 237 Cb 0.48 -2.43 -0.00 0.00 -0.57 0.00 0.00 31.44 28.92 2wr0 n GLU 237 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2wr0 n THR 238 N -2.59 2.01 -0.76 2.62 -2.24 -1.26 -1.89 114.28 110.17 2wr0 n THR 238 Ca 0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2wr0 n THR 238 Cb 0.49 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2wr0 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr0 n TRP 239 N 0.35 0.00 -3.08 4.78 7.02 0.14 -4.98 117.44 121.66 2wr0 n TRP 239 Ca 0.04 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.27 2wr0 n TRP 239 Cb 0.37 -1.09 -0.00 0.00 -2.42 0.00 0.00 31.31 28.17 2wr0 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr0 s ASP 240 N -2.25 6.15 0.07 -0.99 2.15 -0.80 -4.78 116.67 116.23 2wr0 s ASP 240 Ca 0.00 0.52 0.08 0.00 0.43 0.00 0.00 52.55 53.59 2wr0 s ASP 240 Cb 0.00 -1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2wr0 s ASP 240 CO 0.00 -0.48 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.62 2wr0 s VAL 241 N -2.49 2.63 -0.12 1.11 1.01 -1.26 -0.42 120.40 120.85 2wr0 s VAL 241 Ca 0.44 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2wr0 s VAL 241 Cb -0.10 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2wr0 s VAL 241 CO 0.39 0.27 -0.18 -0.51 0.00 0.00 0.00 175.10 175.07 2wr0 s ILE 242 N -0.96 2.61 -0.27 2.22 2.07 -0.51 -4.18 121.20 122.17 2wr0 s ILE 242 Ca 0.15 -0.82 -0.05 0.00 -1.41 0.00 0.00 60.65 58.52 2wr0 s ILE 242 Cb -0.10 -2.06 0.01 0.00 0.13 0.00 0.00 42.46 40.44 2wr0 s ILE 242 CO 0.06 0.54 0.01 0.20 -1.91 0.00 0.00 174.94 173.84 2wr0 s ASN 243 N 0.38 4.73 -0.08 4.50 -0.87 0.94 -1.81 114.94 122.73 2wr0 s ASN 243 Ca -0.14 -0.70 -0.17 0.00 -1.57 0.00 0.00 52.86 50.28 2wr0 s ASN 243 Cb -0.17 -1.79 -0.05 0.00 -0.02 0.00 0.00 41.25 39.23 2wr0 s ASN 243 CO 0.07 -0.14 0.46 -0.36 -2.57 0.00 0.00 177.10 174.55 2wr0 s PHE 244 N 1.44 3.58 -0.17 2.20 0.08 -0.21 -1.36 117.98 123.53 2wr0 s PHE 244 Ca 0.02 0.92 -0.04 0.00 0.12 0.00 0.00 56.93 57.96 2wr0 s PHE 244 Cb -0.17 -2.48 0.08 0.00 -0.57 0.00 0.00 43.02 39.89 2wr0 s PHE 244 CO -0.01 0.31 0.23 -2.00 -0.10 0.00 0.00 175.22 173.65 2wr0 s GLU 245 N 0.11 0.17 -0.03 0.44 2.12 -0.03 -2.34 118.70 119.13 2wr0 s GLU 245 Ca 0.25 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 2wr0 s GLU 245 Cb -0.16 -0.82 0.01 0.00 0.26 0.00 0.00 34.13 33.42 2wr0 s GLU 245 CO 0.11 -0.53 0.09 0.45 -0.54 0.00 0.00 175.26 174.84 2wr0 s SER 246 N 2.35 -0.09 0.00 -1.70 0.15 -0.45 -1.12 113.70 112.84 2wr0 s SER 246 Ca 0.05 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.09 2wr0 s SER 246 Cb -0.14 0.19 0.47 0.00 -1.71 0.00 0.00 66.02 64.83 2wr0 s SER 246 CO -0.11 -0.05 1.43 0.35 1.20 0.00 0.00 173.24 176.06 2wr0 n THR 247 N 2.96 0.50 0.00 6.45 -2.24 -0.95 -0.25 114.28 120.75 2wr0 n THR 247 Ca -0.13 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2wr0 n THR 247 Cb 0.59 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2wr0 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr0 n GLY 248 N 1.48 3.80 1.74 3.38 0.00 -1.26 -4.77 105.19 109.56 2wr0 n GLY 248 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wr0 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr0 n ASN 249 N 0.00 0.00 -4.73 1.61 3.02 -1.26 -4.09 115.26 109.81 2wr0 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr0 n ASN 249 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2wr0 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr0 s LEU 250 N 0.00 4.38 -0.43 3.41 2.96 -1.26 -0.99 118.68 126.75 2wr0 s LEU 250 Ca 0.00 2.52 -0.06 0.00 -0.22 0.00 0.00 54.13 56.37 2wr0 s LEU 250 Cb 0.00 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.19 2wr0 s LEU 250 CO 0.00 -0.68 0.26 -0.63 -1.32 0.00 0.00 176.35 173.98 2wr0 s ILE 251 N 0.54 3.79 0.23 6.68 -1.09 0.71 -3.54 121.20 128.52 2wr0 s ILE 251 Ca 0.62 -1.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 2wr0 s ILE 251 Cb -0.40 -3.50 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 2wr0 s ILE 251 CO 0.36 -0.68 0.68 0.00 -1.23 0.00 0.00 174.94 174.07 2wr0 s ALA 252 N 1.28 3.43 0.41 9.38 0.00 -0.63 -1.24 121.76 134.39 2wr0 s ALA 252 Ca 0.06 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 2wr0 s ALA 252 Cb -0.24 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 2wr0 s ALA 252 CO -0.02 0.37 1.05 -1.25 0.00 0.00 0.00 175.76 175.91 2wr0 s PRO 253 N -2.30 4.12 -0.03 0.00 0.04 -1.25 0.12 135.00 135.70 2wr0 s PRO 253 Ca 0.45 1.49 0.20 0.00 0.04 0.00 0.00 61.00 63.18 2wr0 s PRO 253 Cb -0.14 -2.48 -0.30 0.00 0.04 0.00 0.00 34.50 31.61 2wr0 s PRO 253 CO 0.20 -0.18 0.45 -1.91 0.04 0.00 0.00 177.00 175.59 2wr0 n GLU 254 N -0.19 0.60 -4.31 4.56 2.13 0.12 -4.62 120.64 118.93 2wr0 n GLU 254 Ca 0.06 -0.17 -0.21 0.00 0.66 0.00 0.00 57.16 57.50 2wr0 n GLU 254 Cb 0.50 -1.47 -0.11 0.00 0.27 0.00 0.00 31.44 30.63 2wr0 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr0 s TYR 255 N -3.35 1.69 0.24 4.31 2.02 -1.21 -1.15 117.35 119.90 2wr0 s TYR 255 Ca -0.07 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2wr0 s TYR 255 Cb 0.13 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 2wr0 s TYR 255 CO 0.82 0.27 -0.02 0.20 -1.57 0.00 0.00 175.55 175.25 2wr0 s GLY 256 N -2.61 1.60 -0.23 0.71 0.00 0.49 -4.66 107.32 102.61 2wr0 s GLY 256 Ca 0.14 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.09 2wr0 s GLY 256 CO 0.05 -1.70 -0.13 -1.36 0.00 0.00 0.00 173.10 169.96 2wr0 s PHE 257 N -3.32 3.05 0.23 1.90 0.08 -0.61 0.24 117.98 119.55 2wr0 s PHE 257 Ca 0.28 -2.08 -0.32 0.00 0.12 0.00 0.00 56.93 54.93 2wr0 s PHE 257 Cb 0.05 -1.89 -0.13 0.00 -0.57 0.00 0.00 43.02 40.48 2wr0 s PHE 257 CO 0.09 -0.85 1.59 1.63 -0.10 0.00 0.00 175.22 177.58 2wr0 n LYS 258 N 4.51 2.47 -3.75 0.44 5.02 0.81 -0.91 118.16 126.75 2wr0 n LYS 258 Ca -0.16 0.88 -0.13 0.00 -2.02 0.00 0.00 58.31 56.88 2wr0 n LYS 258 Cb 0.44 -2.66 -0.14 0.00 -0.02 0.00 0.00 35.03 32.66 2wr0 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr0 s ILE 259 N 0.52 -0.04 -0.02 -0.18 2.07 -0.14 -0.72 121.20 122.68 2wr0 s ILE 259 Ca 0.71 0.16 0.07 0.00 -1.41 0.00 0.00 60.65 60.18 2wr0 s ILE 259 Cb -0.57 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 2wr0 s ILE 259 CO 0.42 0.07 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.84 2wr0 s SER 260 N 1.14 2.73 0.19 4.50 0.01 -0.58 -3.86 113.70 117.82 2wr0 s SER 260 Ca -0.09 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 56.84 2wr0 s SER 260 Cb -0.11 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 2wr0 s SER 260 CO -0.06 0.27 -0.12 -0.54 0.41 0.00 0.00 173.24 173.20 2wr0 s LYS 261 N -0.46 1.97 0.00 12.44 1.02 -1.26 0.31 119.74 133.76 2wr0 s LYS 261 Ca 0.06 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.74 2wr0 s LYS 261 Cb -0.10 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.14 2wr0 s LYS 261 CO -0.00 0.42 0.72 -2.13 -0.92 0.00 0.00 175.35 173.44 2wr0 n ARG 262 N 0.01 0.45 0.00 1.68 0.63 -1.26 -4.79 116.66 113.38 2wr0 n ARG 262 Ca -0.11 -0.93 0.00 0.00 -0.92 0.00 0.00 57.85 55.89 2wr0 n ARG 262 Cb 0.56 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 32.42 2wr0 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wr0 n GLY 263 N -0.02 0.82 3.64 5.14 0.00 -1.26 -5.11 105.19 108.40 2wr0 n GLY 263 Ca 0.02 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 2wr0 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr0 s SER 264 N -4.00 3.87 0.00 1.61 0.01 -1.26 -4.58 113.70 109.35 2wr0 s SER 264 Ca 0.00 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2wr0 s SER 264 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2wr0 s SER 264 CO 0.00 -0.52 0.00 -0.24 0.41 0.00 0.00 173.24 172.89 2wr0 n SER 265 N -1.01 2.16 -3.32 2.44 2.88 -1.26 -4.93 113.62 110.58 2wr0 n SER 265 Ca -0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.37 2wr0 n SER 265 Cb 0.67 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.12 2wr0 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr0 s GLY 266 N 0.00 0.54 -0.10 0.46 0.00 -1.26 -4.77 107.32 102.19 2wr0 s GLY 266 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 2wr0 s GLY 266 CO 0.00 -0.45 0.30 -0.42 0.00 0.00 0.00 173.10 172.52 2wr0 s ILE 267 N -3.01 5.26 -0.22 0.90 1.01 -1.26 -2.35 121.20 121.54 2wr0 s ILE 267 Ca 0.19 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 2wr0 s ILE 267 Cb -0.04 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2wr0 s ILE 267 CO 0.12 0.50 -0.04 -0.32 0.00 0.00 0.00 174.94 175.20 2wr0 s MET 268 N -0.36 3.40 -0.48 2.79 -2.45 0.19 -4.80 119.30 117.58 2wr0 s MET 268 Ca 0.18 -0.61 -0.20 0.00 -1.25 0.00 0.00 55.69 53.81 2wr0 s MET 268 Cb -0.14 -3.01 0.04 0.00 1.25 0.00 0.00 34.83 32.97 2wr0 s MET 268 CO 0.07 -0.17 0.63 0.15 1.05 0.00 0.00 175.02 176.75 2wr0 s LYS 269 N 1.42 3.18 0.23 4.11 1.02 -1.26 -2.11 119.74 126.33 2wr0 s LYS 269 Ca 0.05 -0.68 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 2wr0 s LYS 269 Cb -0.14 -4.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.13 2wr0 s LYS 269 CO -0.02 -1.14 0.50 -0.08 -0.92 0.00 0.00 175.35 173.68 2wr0 s THR 270 N 2.73 0.01 -1.54 2.17 -1.32 -0.54 -4.82 115.64 112.33 2wr0 s THR 270 Ca 0.18 -1.20 0.18 0.00 -1.21 0.00 0.00 61.69 59.63 2wr0 s THR 270 Cb -0.17 -1.99 0.50 0.00 -1.51 0.00 0.00 72.50 69.33 2wr0 s THR 270 CO 0.15 -0.06 1.41 -0.62 -2.21 0.00 0.00 174.62 173.29 2wr0 n GLU 271 N -0.36 2.77 -2.62 7.08 -0.58 -1.26 -4.13 120.64 121.53 2wr0 n GLU 271 Ca -0.04 -2.39 -0.24 0.00 -0.42 0.00 0.00 57.16 54.06 2wr0 n GLU 271 Cb 0.62 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 30.08 2wr0 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr0 s LYS 272 N -1.01 2.75 0.16 3.49 1.02 -1.26 -5.12 119.74 119.77 2wr0 s LYS 272 Ca 0.38 -0.43 0.08 0.00 0.02 0.00 0.00 55.97 56.03 2wr0 s LYS 272 Cb 0.20 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2wr0 s LYS 272 CO 0.26 -0.65 -0.19 0.95 -0.92 0.00 0.00 175.35 174.81 2wr0 s THR 273 N -2.82 1.80 0.49 2.17 -4.23 -1.26 -5.02 115.64 106.77 2wr0 s THR 273 Ca 0.54 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 2wr0 s THR 273 Cb -0.10 -1.81 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 2wr0 s THR 273 CO 0.41 -0.28 1.18 -0.11 -0.54 0.00 0.00 174.62 175.27 2wr0 n LEU 274 N 0.39 4.06 -4.34 4.79 7.94 -1.26 -4.12 117.00 124.47 2wr0 n LEU 274 Ca -0.14 1.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.58 2wr0 n LEU 274 Cb 0.57 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.94 2wr0 n LEU 274 CO 0.28 -1.05 -0.26 -1.61 -1.11 0.00 0.00 177.39 173.64 2wr0 s GLU 275 N -2.46 1.44 -0.81 1.96 2.02 -0.67 -4.98 118.70 115.21 2wr0 s GLU 275 Ca 0.67 -1.78 -0.25 0.00 0.02 0.00 0.00 54.97 53.63 2wr0 s GLU 275 Cb -0.47 -0.39 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 2wr0 s GLU 275 CO 0.53 -0.26 1.90 1.21 0.02 0.00 0.00 175.26 178.67 2wr0 s ASN 276 N -3.34 5.22 -0.10 -0.19 2.47 -1.26 -4.58 114.94 113.16 2wr0 s ASN 276 Ca 0.37 -0.37 -0.21 0.00 0.42 0.00 0.00 52.86 53.06 2wr0 s ASN 276 Cb 0.08 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.38 2wr0 s ASN 276 CO 0.13 -2.60 0.52 0.00 -3.72 0.00 0.00 177.10 171.43 2wr0 s GLU 278 N -0.64 0.26 0.22 0.00 2.56 -1.26 -1.10 118.70 118.75 2wr0 s GLU 278 Ca -0.07 0.05 -0.13 0.00 0.00 0.00 0.00 54.97 54.82 2wr0 s GLU 278 Cb -0.03 -0.41 0.00 0.00 2.00 0.00 0.00 34.13 35.69 2wr0 s GLU 278 CO 0.05 -0.10 0.46 -0.08 -0.56 0.00 0.00 175.26 175.02 2wr0 s THR 279 N 0.83 0.02 -0.05 -1.70 -1.32 -0.53 -4.89 115.64 108.00 2wr0 s THR 279 Ca -0.08 -1.27 0.01 0.00 -1.21 0.00 0.00 61.69 59.14 2wr0 s THR 279 Cb -0.11 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 2wr0 s THR 279 CO -0.02 -0.08 0.11 0.29 -2.21 0.00 0.00 174.62 172.72 2wr0 n LYS 280 N -0.34 5.52 -3.59 7.08 5.02 -1.26 -2.25 118.16 128.33 2wr0 n LYS 280 Ca -0.04 -0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 55.93 2wr0 n LYS 280 Cb 0.62 -0.61 -0.16 0.00 -0.02 0.00 0.00 35.03 34.86 2wr0 n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wr0 s GLN 282 N 2.20 3.31 0.23 0.00 2.00 0.24 -0.55 119.66 127.07 2wr0 s GLN 282 Ca 0.04 -0.34 0.08 0.00 -2.00 0.00 0.00 55.36 53.14 2wr0 s GLN 282 Cb -0.15 -2.96 -0.05 0.00 0.80 0.00 0.00 33.01 30.65 2wr0 s GLN 282 CO -0.09 0.61 -0.15 0.95 -0.50 0.00 0.00 175.29 176.12 2wr0 s THR 283 N -0.61 1.87 -0.12 -0.34 -4.23 -0.56 -0.69 115.64 110.95 2wr0 s THR 283 Ca 0.11 -2.24 0.25 0.00 -1.18 0.00 0.00 61.69 58.63 2wr0 s THR 283 Cb -0.12 -2.14 0.25 0.00 1.34 0.00 0.00 72.50 71.84 2wr0 s THR 283 CO 0.02 -0.53 1.76 -0.65 -0.54 0.00 0.00 174.62 174.69 2wr0 h PRO 284 N 2.47 0.00 0.00 3.99 0.11 -1.92 -2.10 132.00 134.55 2wr0 h PRO 284 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 2wr0 h PRO 284 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wr0 h PRO 284 CO 0.62 0.00 -1.61 1.28 -0.21 0.00 0.00 178.00 178.08 2wr0 n LEU 285 N -2.38 0.36 0.00 2.35 4.77 -1.26 -4.83 117.00 116.01 2wr0 n LEU 285 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2wr0 n LEU 285 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wr0 n LEU 285 CO 0.13 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2wr0 n GLY 286 N 1.25 0.87 3.88 -0.72 0.00 -0.79 -3.89 105.19 105.78 2wr0 n GLY 286 Ca -0.04 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 2wr0 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr0 s ALA 287 N -1.84 3.64 -0.16 4.61 0.00 -0.84 -1.50 121.76 125.67 2wr0 s ALA 287 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2wr0 s ALA 287 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2wr0 s ALA 287 CO 0.00 0.55 0.07 0.42 0.00 0.00 0.00 175.76 176.79 2wr0 s ILE 288 N -1.69 4.83 -0.32 0.00 1.01 0.28 -1.53 121.20 123.79 2wr0 s ILE 288 Ca 0.43 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2wr0 s ILE 288 Cb -0.12 -3.15 0.10 0.00 0.01 0.00 0.00 42.46 39.30 2wr0 s ILE 288 CO 0.21 0.50 0.06 0.21 0.00 0.00 0.00 174.94 175.93 2wr0 s ASN 289 N 0.03 4.40 0.03 3.58 2.47 -1.26 -4.01 114.94 120.18 2wr0 s ASN 289 Ca 0.06 -1.88 -0.22 0.00 0.42 0.00 0.00 52.86 51.24 2wr0 s ASN 289 Cb -0.12 -1.27 0.05 0.00 -1.45 0.00 0.00 41.25 38.46 2wr0 s ASN 289 CO 0.01 -0.39 0.51 0.28 -3.72 0.00 0.00 177.10 173.79 2wr0 s THR 290 N 1.24 0.03 -0.51 -5.21 -1.32 -1.26 -5.02 115.64 103.59 2wr0 s THR 290 Ca 0.10 -0.26 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 2wr0 s THR 290 Cb -0.18 -0.95 -0.22 0.00 -1.51 0.00 0.00 72.50 69.63 2wr0 s THR 290 CO -0.15 -0.15 0.60 0.35 -2.21 0.00 0.00 174.62 173.06 2wr0 n THR 291 N 0.52 0.00 -1.60 5.08 -2.24 -1.26 -5.00 114.28 109.78 2wr0 n THR 291 Ca -0.19 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 2wr0 n THR 291 Cb 0.60 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.55 2wr0 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wr0 s LEU 292 N -3.38 3.44 0.16 3.22 1.43 -1.26 -4.90 118.68 117.38 2wr0 s LEU 292 Ca 0.01 2.44 0.25 0.00 -1.03 0.00 0.00 54.13 55.81 2wr0 s LEU 292 Cb 0.13 -4.60 0.62 0.00 0.03 0.00 0.00 46.19 42.36 2wr0 s LEU 292 CO 0.73 -2.11 1.58 -2.65 0.23 0.00 0.00 176.35 174.13 2wr0 n PRO 293 N -2.34 0.26 -4.13 1.29 -0.02 -1.25 -4.66 135.00 124.15 2wr0 n PRO 293 Ca 0.14 0.15 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2wr0 n PRO 293 Cb 0.49 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.12 2wr0 n PRO 293 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wr0 s PHE 294 N -3.12 0.95 0.09 6.00 0.08 -1.23 -1.06 117.98 119.68 2wr0 s PHE 294 Ca 0.09 -0.57 -0.08 0.00 0.12 0.00 0.00 56.93 56.49 2wr0 s PHE 294 Cb 0.13 -0.54 -0.00 0.00 -0.57 0.00 0.00 43.02 42.04 2wr0 s PHE 294 CO 0.65 -0.03 0.18 -3.38 -0.10 0.00 0.00 175.22 172.55 2wr0 s HIS 295 N -1.85 0.17 -0.10 0.36 -3.43 -0.61 0.59 115.29 110.43 2wr0 s HIS 295 Ca -0.02 -0.61 0.16 0.00 -0.80 0.00 0.00 55.06 53.79 2wr0 s HIS 295 Cb -0.07 -0.07 0.35 0.00 -1.43 0.00 0.00 32.58 31.36 2wr0 s HIS 295 CO 0.00 -0.54 1.16 0.27 -2.00 0.00 0.00 174.74 173.64 2wr0 n ASN 296 N -0.06 1.33 0.01 7.38 6.94 -1.07 -1.32 115.26 128.48 2wr0 n ASN 296 Ca -0.15 -2.88 -0.11 0.00 -0.02 0.00 0.00 54.58 51.42 2wr0 n ASN 296 Cb 0.62 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 37.57 2wr0 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr0 h ILE 297 N 3.73 1.05 -1.64 1.53 2.04 -1.90 -3.48 117.51 118.84 2wr0 h ILE 297 Ca -0.08 -1.36 0.06 0.00 1.00 0.00 0.00 64.86 64.48 2wr0 h ILE 297 Cb 1.37 1.81 -0.26 0.00 -0.74 0.00 0.00 36.82 39.00 2wr0 h ILE 297 CO 0.03 0.29 0.40 -2.28 0.00 0.00 0.00 178.15 176.59 2wr0 s HIS 298 N -3.18 -0.54 0.21 1.37 5.04 -1.26 -5.02 115.29 111.91 2wr0 s HIS 298 Ca -0.13 1.26 -0.03 0.00 -1.54 0.00 0.00 55.06 54.62 2wr0 s HIS 298 Cb -0.00 0.36 0.19 0.00 0.04 0.00 0.00 32.58 33.17 2wr0 s HIS 298 CO 0.51 -0.26 1.59 -1.35 -2.34 0.00 0.00 174.74 172.89 2wr0 h PRO 299 N 4.68 0.62 -4.57 2.88 0.11 -1.98 -3.39 132.00 130.34 2wr0 h PRO 299 Ca -0.28 -0.31 -0.72 0.00 0.11 0.00 0.00 66.00 64.80 2wr0 h PRO 299 Cb 1.18 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2wr0 h PRO 299 CO 0.12 0.90 2.11 1.28 -0.21 0.00 0.00 178.00 182.20 2wr0 n LEU 300 N -4.04 5.84 -4.96 2.35 4.77 -1.26 -4.82 117.00 114.88 2wr0 n LEU 300 Ca -0.02 -4.30 -0.19 0.00 -0.03 0.00 0.00 56.01 51.47 2wr0 n LEU 300 Cb 0.51 -1.63 -0.01 0.00 -2.33 0.00 0.00 43.42 39.97 2wr0 n LEU 300 CO 0.45 0.82 0.05 0.42 -1.33 0.00 0.00 177.39 177.80 2wr0 s THR 301 N 2.30 3.64 -0.04 -5.08 -4.23 -1.26 -4.19 115.64 106.78 2wr0 s THR 301 Ca 0.46 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2wr0 s THR 301 Cb 0.06 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.68 2wr0 s THR 301 CO 0.00 -0.11 0.07 -0.63 -0.54 0.00 0.00 174.62 173.41 2wr0 s ILE 302 N -2.26 -0.08 -2.00 2.99 1.01 0.13 -0.88 121.20 120.11 2wr0 s ILE 302 Ca 0.47 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2wr0 s ILE 302 Cb -0.09 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2wr0 s ILE 302 CO 0.31 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2wr0 n GLY 303 N 4.53 0.56 3.47 6.18 0.00 -0.34 -0.60 105.19 118.99 2wr0 n GLY 303 Ca -0.20 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 2wr0 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr0 s GLU 304 N -0.80 3.26 0.25 1.61 2.02 -0.40 -1.75 118.70 122.88 2wr0 s GLU 304 Ca 0.00 -0.96 0.10 0.00 0.02 0.00 0.00 54.97 54.12 2wr0 s GLU 304 Cb 0.00 -4.45 -0.04 0.00 0.10 0.00 0.00 34.13 29.74 2wr0 s GLU 304 CO 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 175.26 173.36 2wr0 s PRO 306 N -3.46 0.81 0.01 0.00 0.02 -1.26 -4.86 135.00 126.26 2wr0 s PRO 306 Ca 0.30 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2wr0 s PRO 306 Cb -0.07 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2wr0 s PRO 306 CO 0.18 -2.55 1.11 0.15 -0.33 0.00 0.00 177.00 175.57 2wr0 s LYS 307 N -4.86 4.46 0.18 5.54 -0.14 -0.23 -4.72 119.74 119.98 2wr0 s LYS 307 Ca 0.65 1.61 -0.30 0.00 -1.36 0.00 0.00 55.97 56.56 2wr0 s LYS 307 Cb -0.19 -3.44 -0.08 0.00 -1.68 0.00 0.00 37.83 32.44 2wr0 s LYS 307 CO 0.58 -0.23 1.17 -0.47 -0.76 0.00 0.00 175.35 175.65 2wr0 s TYR 308 N 1.32 3.47 0.20 3.18 5.04 -1.26 -1.57 117.35 127.73 2wr0 s TYR 308 Ca 0.55 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.68 2wr0 s TYR 308 Cb -0.25 -3.39 -0.05 0.00 0.35 0.00 0.00 41.96 38.62 2wr0 s TYR 308 CO 0.27 -1.04 0.02 0.14 -1.34 0.00 0.00 175.55 173.60 2wr0 s VAL 309 N -0.11 0.72 0.13 3.14 -7.23 -0.44 -4.77 120.40 111.84 2wr0 s VAL 309 Ca 0.52 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2wr0 s VAL 309 Cb -0.32 -2.26 -0.20 0.00 0.56 0.00 0.00 36.38 34.17 2wr0 s VAL 309 CO 0.36 -0.36 1.30 0.11 -0.31 0.00 0.00 175.10 176.20 2wr0 h LYS 310 N 2.60 0.14 -6.82 4.82 1.57 -1.88 -3.41 116.57 113.58 2wr0 h LYS 310 Ca -0.37 -0.19 -0.56 0.00 -1.87 0.00 0.00 60.65 57.66 2wr0 h LYS 310 Cb 1.22 0.06 0.18 0.00 0.08 0.00 0.00 32.23 33.77 2wr0 h LYS 310 CO 0.63 1.02 -0.08 -1.13 -0.57 0.00 0.00 179.45 179.32 2wr0 n SER 311 N -3.53 -0.10 0.00 0.86 3.41 -1.26 -4.93 113.62 108.07 2wr0 n SER 311 Ca -0.03 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2wr0 n SER 311 Cb 0.90 -1.33 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 2wr0 n SER 311 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wr0 n ASP 312 N -1.05 0.70 -3.65 4.04 9.92 -1.26 -4.77 116.55 120.48 2wr0 n ASP 312 Ca 0.12 -0.53 -0.03 0.00 -0.53 0.00 0.00 54.79 53.82 2wr0 n ASP 312 Cb 0.49 0.60 -0.06 0.00 -0.64 0.00 0.00 41.12 41.52 2wr0 n ASP 312 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2wr0 s ARG 313 N -3.02 0.56 -0.40 -1.24 3.52 -1.26 -5.08 118.95 112.01 2wr0 s ARG 313 Ca 0.09 1.34 0.02 0.00 -0.13 0.00 0.00 55.73 57.05 2wr0 s ARG 313 Cb 0.17 0.65 0.15 0.00 -1.56 0.00 0.00 34.95 34.35 2wr0 s ARG 313 CO 0.78 -0.20 0.25 -0.51 -0.81 0.00 0.00 175.30 174.81 2wr0 s LEU 314 N 2.61 1.75 -0.20 -0.88 1.43 -1.26 -5.04 118.68 117.09 2wr0 s LEU 314 Ca -0.06 -2.55 -0.04 0.00 -1.03 0.00 0.00 54.13 50.45 2wr0 s LEU 314 Cb -0.11 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2wr0 s LEU 314 CO -0.18 -0.26 -0.03 -0.69 0.23 0.00 0.00 176.35 175.41 2wr0 s VAL 315 N 0.56 3.63 -0.02 -1.59 1.01 -1.26 -0.69 120.40 122.04 2wr0 s VAL 315 Ca 0.21 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 2wr0 s VAL 315 Cb -0.18 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2wr0 s VAL 315 CO -0.04 0.44 0.50 -0.76 0.00 0.00 0.00 175.10 175.24 2wr0 s LEU 316 N 1.05 4.41 0.28 3.92 1.43 -0.17 -4.72 118.68 124.88 2wr0 s LEU 316 Ca 0.01 1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.83 2wr0 s LEU 316 Cb -0.15 -2.74 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 2wr0 s LEU 316 CO 0.01 0.17 1.24 0.00 0.23 0.00 0.00 176.35 177.99 2wr0 s ALA 317 N -0.38 3.47 -0.03 4.21 0.00 -1.26 -0.90 121.76 126.87 2wr0 s ALA 317 Ca 0.27 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 2wr0 s ALA 317 Cb -0.17 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2wr0 s ALA 317 CO 0.14 -0.45 -0.03 0.25 0.00 0.00 0.00 175.76 175.67 2wr0 n THR 318 N 1.44 0.15 -0.72 0.00 -2.24 -0.30 -4.86 114.28 107.75 2wr0 n THR 318 Ca 0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wr0 n THR 318 Cb 0.43 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2wr0 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr0 n GLY 319 N 2.92 -1.46 4.01 3.38 0.00 0.04 -4.93 105.19 109.16 2wr0 n GLY 319 Ca -0.05 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 2wr0 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr0 s LEU 320 N 0.00 3.43 0.12 0.99 2.34 -1.26 -4.70 118.68 119.59 2wr0 s LEU 320 Ca 0.00 -0.49 -0.32 0.00 0.06 0.00 0.00 54.13 53.38 2wr0 s LEU 320 Cb 0.00 -2.36 -0.11 0.00 -0.56 0.00 0.00 46.19 43.16 2wr0 s LEU 320 CO 0.00 -1.02 1.81 -1.14 -1.06 0.00 0.00 176.35 174.93 2wr0 n ARG 321 N -2.06 2.68 -2.69 1.48 0.63 -1.26 -0.33 116.66 115.09 2wr0 n ARG 321 Ca 0.11 0.97 -0.43 0.00 -0.92 0.00 0.00 57.85 57.58 2wr0 n ARG 321 Cb 0.60 -2.85 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 2wr0 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr0 s ASN 322 N 2.51 6.41 -0.80 6.15 2.47 0.36 -4.73 114.94 127.32 2wr0 s ASN 322 Ca 0.82 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 54.05 2wr0 s ASN 322 Cb -0.52 -2.50 0.20 0.00 -1.45 0.00 0.00 41.25 36.97 2wr0 s ASN 322 CO 0.38 -1.36 0.65 0.52 -3.72 0.00 0.00 177.10 173.57 2wr0 n VAL 323 N 6.48 2.35 -1.66 -5.21 0.31 -1.26 -4.83 118.33 114.50 2wr0 n VAL 323 Ca 0.06 -5.02 -0.36 0.00 -0.01 0.00 0.00 64.34 59.01 2wr0 n VAL 323 Cb 0.48 -2.27 0.07 0.00 -0.91 0.00 0.00 33.84 31.22 2wr0 n VAL 323 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wr0 s PRO 324 N -1.52 2.44 -0.04 5.55 0.02 -1.26 -0.74 135.00 139.45 2wr0 s PRO 324 Ca 0.27 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.31 2wr0 s PRO 324 Cb -0.04 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.63 2wr0 s PRO 324 CO -0.14 -1.66 -0.18 -1.14 -0.33 0.00 0.00 177.00 173.56 2wr0 s GLN 325 N -3.52 1.78 0.00 5.54 0.74 -1.26 -4.76 119.66 118.18 2wr0 s GLN 325 Ca 0.80 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.59 2wr0 s GLN 325 Cb -0.35 -1.56 0.00 0.00 1.10 0.00 0.00 33.01 32.20 2wr0 s GLN 325 CO 0.41 0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 2wr0 n GLY 330 N 3.08 0.97 0.34 2.59 0.00 -1.26 -5.00 105.19 105.90 2wr0 n GLY 330 Ca -0.18 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.03 2wr0 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr0 h LEU 331 N 0.00 0.00 -1.35 0.99 4.07 -1.93 -3.07 115.31 114.02 2wr0 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wr0 h LEU 331 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2wr0 h LEU 331 CO 0.00 0.00 -0.10 0.49 -1.08 0.00 0.00 178.44 177.75 2wr0 n PHE 332 N -3.87 0.00 -0.31 1.13 3.72 -1.26 -4.99 117.46 111.88 2wr0 n PHE 332 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2wr0 n PHE 332 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2wr0 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr0 n GLY 333 N 0.93 2.26 0.00 1.37 0.00 -1.16 -4.88 105.19 103.71 2wr0 n GLY 333 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wr0 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr0 n ALA 334 N 0.24 0.00 -1.75 4.61 0.00 -1.26 -0.92 120.51 121.42 2wr0 n ALA 334 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2wr0 n ALA 334 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wr0 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr0 s ILE 335 N -0.82 2.08 -1.46 0.00 1.01 -1.26 -0.29 121.20 120.45 2wr0 s ILE 335 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 2wr0 s ILE 335 Cb 0.00 -3.04 0.13 0.00 0.01 0.00 0.00 42.46 39.57 2wr0 s ILE 335 CO 0.00 0.01 0.60 0.00 0.00 0.00 0.00 174.94 175.55 2wr0 n ALA 336 N 3.41 -1.16 -2.13 9.38 0.00 -1.19 -4.15 120.51 124.67 2wr0 n ALA 336 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2wr0 n ALA 336 Cb 0.36 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.93 2wr0 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr0 n GLY 337 N -1.19 2.67 0.19 0.00 0.00 0.60 -4.85 105.19 102.62 2wr0 n GLY 337 Ca 0.05 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2wr0 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr0 h PHE 338 N 0.00 0.00 -3.62 1.61 -5.15 -0.96 -3.24 116.94 105.59 2wr0 h PHE 338 Ca 0.00 0.00 -0.76 0.00 -0.20 0.00 0.00 57.97 57.01 2wr0 h PHE 338 Cb 0.00 0.00 -0.30 0.00 0.22 0.00 0.00 35.95 35.87 2wr0 h PHE 338 CO 0.00 0.00 0.07 0.42 -2.00 0.00 0.00 178.31 176.80 2wr0 s ILE 339 N -3.29 5.14 0.39 0.88 1.01 -1.10 -3.29 121.20 120.94 2wr0 s ILE 339 Ca 0.06 -3.06 0.30 0.00 0.00 0.00 0.00 60.65 57.96 2wr0 s ILE 339 Cb 0.08 -4.17 0.32 0.00 0.01 0.00 0.00 42.46 38.70 2wr0 s ILE 339 CO 0.59 -1.05 2.09 1.05 0.00 0.00 0.00 174.94 177.62 2wr0 h GLU 340 N 7.04 0.00 -4.36 2.79 4.11 -1.81 -3.14 114.58 119.21 2wr0 h GLU 340 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.39 2wr0 h GLU 340 Cb 0.94 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.04 2wr0 h GLU 340 CO 0.83 0.09 -0.67 0.20 0.07 0.00 0.00 179.01 179.53 2wr0 s GLY 341 N -4.19 0.69 0.46 1.06 0.00 -1.26 -4.37 107.32 99.70 2wr0 s GLY 341 Ca -0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 2wr0 s GLY 341 CO 0.56 -1.36 0.70 -0.32 0.00 0.00 0.00 173.10 172.68 2wr0 s GLY 342 N -2.98 1.52 -0.48 0.20 0.00 0.08 -4.72 107.32 100.95 2wr0 s GLY 342 Ca 0.13 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.80 2wr0 s GLY 342 CO -0.05 -0.73 0.41 -0.98 0.00 0.00 0.00 173.10 171.74 2wr0 s TRP 343 N -2.60 3.24 0.66 1.90 0.51 0.12 -4.06 118.94 118.71 2wr0 s TRP 343 Ca 0.47 -0.95 0.32 0.00 -2.12 0.00 0.00 56.10 53.83 2wr0 s TRP 343 Cb -0.10 -3.23 1.76 0.00 -0.81 0.00 0.00 33.47 31.09 2wr0 s TRP 343 CO 0.40 -0.82 2.01 0.37 -0.51 0.00 0.00 176.95 178.39 2wr0 h GLN 344 N 8.77 0.00 -0.64 4.98 5.75 -1.85 -2.56 115.11 129.56 2wr0 h GLN 344 Ca -0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2wr0 h GLN 344 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2wr0 h GLN 344 CO 0.89 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.48 2wr0 n GLY 345 N -1.23 2.33 3.13 2.39 0.00 -1.26 -4.73 105.19 105.82 2wr0 n GLY 345 Ca -0.01 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2wr0 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr0 s MET 346 N -1.81 2.11 0.00 1.61 -2.45 -0.98 -4.94 119.30 112.84 2wr0 s MET 346 Ca 0.44 -1.63 0.20 0.00 -1.25 0.00 0.00 55.69 53.44 2wr0 s MET 346 Cb 0.28 -3.43 -0.12 0.00 1.25 0.00 0.00 34.83 32.82 2wr0 s MET 346 CO 0.21 -0.91 0.91 1.33 1.05 0.00 0.00 175.02 177.61 2wr0 n VAL 347 N 4.58 0.00 -0.83 10.11 0.24 -1.26 -4.52 118.33 126.65 2wr0 n VAL 347 Ca -0.05 -0.15 0.08 0.00 -2.04 0.00 0.00 64.34 62.17 2wr0 n VAL 347 Cb 0.42 1.11 0.31 0.00 -1.47 0.00 0.00 33.84 34.21 2wr0 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr0 n ASP 348 N -0.81 4.49 0.00 -1.34 5.75 -1.26 -5.01 116.55 118.36 2wr0 n ASP 348 Ca 0.06 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 2wr0 n ASP 348 Cb 0.36 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 2wr0 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr0 n GLY 349 N 0.18 -0.78 0.09 6.12 0.00 -1.26 -4.78 105.19 104.76 2wr0 n GLY 349 Ca 0.23 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2wr0 n GLY 349 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wr0 h TRP 350 N 0.00 0.08 -3.97 1.61 6.55 -1.91 -3.42 115.95 114.90 2wr0 h TRP 350 Ca 0.00 -0.06 -0.25 0.00 0.95 0.00 0.00 58.89 59.53 2wr0 h TRP 350 Cb 0.00 -0.00 -0.21 0.00 -0.86 0.00 0.00 29.16 28.08 2wr0 h TRP 350 CO 0.00 1.11 -0.73 0.71 -1.05 0.00 0.00 178.44 178.48 2wr0 s TYR 351 N -2.61 0.55 0.00 0.49 2.02 -1.26 -0.45 117.35 116.08 2wr0 s TYR 351 Ca -0.06 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 2wr0 s TYR 351 Cb 0.08 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 2wr0 s TYR 351 CO 0.82 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 2wr0 n GLY 352 N 1.55 1.15 3.25 0.71 0.00 -0.96 -0.12 105.19 110.76 2wr0 n GLY 352 Ca -0.23 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2wr0 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr0 s TYR 353 N -1.63 1.60 -0.11 1.61 2.02 0.19 -1.01 117.35 120.02 2wr0 s TYR 353 Ca 0.00 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2wr0 s TYR 353 Cb 0.00 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.68 2wr0 s TYR 353 CO 0.00 0.15 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.33 2wr0 s HIS 354 N -1.18 2.54 0.06 2.71 5.65 -0.19 -0.46 115.29 124.42 2wr0 s HIS 354 Ca 0.04 -1.13 0.09 0.00 0.25 0.00 0.00 55.06 54.31 2wr0 s HIS 354 Cb -0.10 -1.71 -0.03 0.00 -1.18 0.00 0.00 32.58 29.56 2wr0 s HIS 354 CO 0.03 -0.48 -0.26 -3.38 -0.65 0.00 0.00 174.74 170.00 2wr0 s HIS 355 N 0.54 2.27 -0.13 3.88 -3.43 -0.54 0.12 115.29 118.00 2wr0 s HIS 355 Ca -0.14 -0.41 -0.00 0.00 -0.80 0.00 0.00 55.06 53.71 2wr0 s HIS 355 Cb -0.17 -1.34 0.02 0.00 -1.43 0.00 0.00 32.58 29.66 2wr0 s HIS 355 CO 0.05 0.15 -0.11 -1.12 -2.00 0.00 0.00 174.74 171.71 2wr0 s SER 356 N -1.35 2.39 0.24 7.38 0.01 0.71 -3.99 113.70 119.10 2wr0 s SER 356 Ca 0.12 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2wr0 s SER 356 Cb -0.10 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 65.15 2wr0 s SER 356 CO 0.03 -0.09 0.34 -0.46 0.41 0.00 0.00 173.24 173.47 2wr0 n ASN 357 N 4.85 -0.96 0.27 2.44 6.94 -0.70 -1.40 115.26 126.70 2wr0 n ASN 357 Ca -0.15 -2.30 0.18 0.00 -0.02 0.00 0.00 54.58 52.30 2wr0 n ASN 357 Cb 0.50 1.78 0.93 0.00 -2.36 0.00 0.00 39.78 40.62 2wr0 n ASN 357 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2wr0 h ASP 358 N 1.36 0.00 1.04 0.53 3.32 -2.00 -1.39 116.42 119.28 2wr0 h ASP 358 Ca -0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2wr0 h ASP 358 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2wr0 h ASP 358 CO 0.26 0.00 -1.00 1.56 -1.72 0.00 0.00 179.24 178.33 2wr0 h GLN 359 N 0.00 0.00 0.00 3.56 4.20 -1.95 -3.50 115.11 117.42 2wr0 h GLN 359 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wr0 h GLN 359 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2wr0 h GLN 359 CO -0.00 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 2wr0 n GLY 360 N 1.26 0.28 0.00 3.46 0.00 -0.52 -5.13 105.19 104.54 2wr0 n GLY 360 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2wr0 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr0 n SER 361 N 0.00 0.00 0.00 1.61 3.41 -1.26 -1.72 113.62 115.67 2wr0 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr0 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr0 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr0 n GLY 362 N -0.05 0.03 3.70 5.00 0.00 -1.26 -5.03 105.19 107.58 2wr0 n GLY 362 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wr0 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr0 s TYR 363 N 0.00 3.21 -0.21 1.61 2.02 -1.26 -1.47 117.35 121.26 2wr0 s TYR 363 Ca 0.00 1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 57.80 2wr0 s TYR 363 Cb 0.00 -3.47 0.10 0.00 -0.40 0.00 0.00 41.96 38.19 2wr0 s TYR 363 CO 0.00 -1.53 0.42 0.00 -1.57 0.00 0.00 175.55 172.87 2wr0 s ALA 364 N 1.83 -1.18 0.29 3.71 0.00 0.39 -5.00 121.76 121.81 2wr0 s ALA 364 Ca 0.58 1.44 -0.28 0.00 0.00 0.00 0.00 51.96 53.70 2wr0 s ALA 364 Cb -0.28 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 2wr0 s ALA 364 CO 0.25 -0.84 0.99 0.00 0.00 0.00 0.00 175.76 176.17 2wr0 s ALA 365 N 2.61 3.29 -0.57 0.00 0.00 -1.26 0.56 121.76 126.39 2wr0 s ALA 365 Ca 0.01 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 2wr0 s ALA 365 Cb -0.13 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2wr0 s ALA 365 CO -0.13 0.07 1.18 0.34 0.00 0.00 0.00 175.76 177.22 2wr0 s ASP 366 N -1.27 6.45 0.16 0.00 2.15 0.82 -4.88 116.67 120.10 2wr0 s ASP 366 Ca 0.46 0.11 -0.13 0.00 0.43 0.00 0.00 52.55 53.42 2wr0 s ASP 366 Cb -0.25 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.87 2wr0 s ASP 366 CO 0.31 -1.46 1.71 0.11 -0.17 0.00 0.00 175.17 175.67 2wr0 h LYS 367 N 9.52 0.80 0.55 4.34 6.56 -1.92 -2.63 116.57 133.80 2wr0 h LYS 367 Ca -0.25 -0.15 -0.03 0.00 -1.06 0.00 0.00 60.65 59.16 2wr0 h LYS 367 Cb 1.06 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.59 2wr0 h LYS 367 CO 1.18 0.71 -0.26 1.49 -2.06 0.00 0.00 179.45 180.50 2wr0 h GLU 368 N 0.72 -0.71 -0.93 3.15 4.81 -1.97 0.23 114.58 119.88 2wr0 h GLU 368 Ca 0.18 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2wr0 h GLU 368 Cb 0.21 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2wr0 h GLU 368 CO -0.01 -0.42 0.61 0.66 -0.73 0.00 0.00 179.01 179.12 2wr0 h SER 369 N -0.89 1.03 -0.40 1.04 4.64 -1.96 0.12 113.55 117.14 2wr0 h SER 369 Ca -0.08 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2wr0 h SER 369 Cb 0.62 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2wr0 h SER 369 CO 0.12 0.73 0.18 0.74 -0.87 0.00 0.00 176.83 177.73 2wr0 h THR 370 N 1.21 1.18 -0.75 2.95 2.02 -1.38 -1.84 112.91 116.30 2wr0 h THR 370 Ca 0.36 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2wr0 h THR 370 Cb -0.06 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2wr0 h THR 370 CO -0.10 0.20 0.36 -0.61 0.37 0.00 0.00 175.52 175.74 2wr0 h GLN 371 N 0.51 1.07 -0.73 6.66 5.75 0.66 -1.11 115.11 127.92 2wr0 h GLN 371 Ca 0.14 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 2wr0 h GLN 371 Cb 0.14 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2wr0 h GLN 371 CO -0.02 0.84 0.32 -0.22 -2.65 0.00 0.00 178.83 177.10 2wr0 h LYS 372 N 1.05 1.07 -0.19 1.69 3.64 -0.72 -1.38 116.57 121.72 2wr0 h LYS 372 Ca 0.26 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2wr0 h LYS 372 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2wr0 h LYS 372 CO -0.03 0.85 -0.04 0.00 -2.27 0.00 0.00 179.45 177.96 2wr0 h ALA 373 N 1.29 0.25 -0.54 5.00 0.00 -0.82 -0.72 119.26 123.73 2wr0 h ALA 373 Ca 0.25 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wr0 h ALA 373 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2wr0 h ALA 373 CO -0.03 0.02 0.25 0.27 0.00 0.00 0.00 179.25 179.77 2wr0 h PHE 374 N 0.07 0.46 -0.08 0.00 -0.00 -1.11 0.16 116.94 116.44 2wr0 h PHE 374 Ca 0.05 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.05 2wr0 h PHE 374 Cb 0.48 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 36.29 2wr0 h PHE 374 CO 0.05 0.20 0.02 -0.44 -0.00 0.00 0.00 178.31 178.15 2wr0 h ASP 375 N 0.49 0.03 0.20 -0.68 3.32 -1.15 -0.26 116.42 118.35 2wr0 h ASP 375 Ca 0.25 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2wr0 h ASP 375 Cb 0.19 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2wr0 h ASP 375 CO -0.19 0.03 -0.42 1.23 -1.72 0.00 0.00 179.24 178.16 2wr0 h GLY 376 N 0.07 -0.90 1.52 2.75 0.00 -0.51 -1.14 103.07 104.85 2wr0 h GLY 376 Ca 0.03 0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.81 2wr0 h GLY 376 CO -0.04 -0.28 -0.03 -2.22 0.00 0.00 0.00 176.54 173.97 2wr0 h ILE 377 N -0.71 1.22 -0.70 2.60 1.08 -0.96 -1.28 117.51 118.76 2wr0 h ILE 377 Ca 0.00 -0.90 0.04 0.00 -0.39 0.00 0.00 64.86 63.62 2wr0 h ILE 377 Cb 0.70 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.37 2wr0 h ILE 377 CO -0.20 0.31 0.43 0.74 -0.69 0.00 0.00 178.15 178.74 2wr0 h THR 378 N 0.56 1.06 -0.52 -0.27 2.02 -0.70 -0.55 112.91 114.50 2wr0 h THR 378 Ca 0.11 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 2wr0 h THR 378 Cb 0.40 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2wr0 h THR 378 CO 0.02 0.15 -0.06 0.78 0.37 0.00 0.00 175.52 176.78 2wr0 h ASN 379 N 0.82 0.90 0.82 4.18 2.35 -0.49 -1.57 115.58 122.60 2wr0 h ASN 379 Ca 0.29 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2wr0 h ASN 379 Cb 0.08 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2wr0 h ASN 379 CO -0.13 1.00 -0.48 0.50 -1.65 0.00 0.00 177.43 176.67 2wr0 h LYS 380 N 0.84 -1.17 -0.44 0.81 3.64 -0.50 0.28 116.57 120.02 2wr0 h LYS 380 Ca 0.14 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2wr0 h LYS 380 Cb 0.58 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 2wr0 h LYS 380 CO 0.03 -0.78 0.06 0.28 -2.27 0.00 0.00 179.45 176.78 2wr0 h VAL 381 N -1.21 0.73 -0.80 2.00 2.07 -1.15 -1.29 116.25 116.61 2wr0 h VAL 381 Ca -0.11 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2wr0 h VAL 381 Cb 0.96 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2wr0 h VAL 381 CO 0.13 0.03 0.51 0.78 0.02 0.00 0.00 177.57 179.05 2wr0 h ASN 382 N 0.19 0.93 -0.06 0.57 2.35 -1.12 -2.31 115.58 116.13 2wr0 h ASN 382 Ca 0.22 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2wr0 h ASN 382 Cb 0.29 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2wr0 h ASN 382 CO -0.31 0.68 -0.12 0.28 -1.65 0.00 0.00 177.43 176.32 2wr0 h SER 383 N 1.09 -0.35 0.15 5.81 0.02 0.70 0.22 113.55 121.18 2wr0 h SER 383 Ca 0.29 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2wr0 h SER 383 Cb -0.10 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2wr0 h SER 383 CO -0.06 -0.16 -0.24 0.58 -1.14 0.00 0.00 176.83 175.81 2wr0 h VAL 384 N -0.17 1.22 0.00 2.27 2.07 -1.13 -2.69 116.25 117.81 2wr0 h VAL 384 Ca 0.06 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 2wr0 h VAL 384 Cb 0.26 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2wr0 h VAL 384 CO -0.16 0.31 -0.81 0.40 0.02 0.00 0.00 177.57 177.33 2wr0 h ILE 385 N 0.16 0.70 -0.01 4.57 2.04 -1.20 -3.40 117.51 120.37 2wr0 h ILE 385 Ca 0.03 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 2wr0 h ILE 385 Cb 0.52 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2wr0 h ILE 385 CO 0.04 0.24 -0.41 -0.33 0.00 0.00 0.00 178.15 177.68 2wr0 h GLU 386 N -1.00 0.02 0.00 2.37 5.08 -0.62 -2.67 114.58 117.76 2wr0 h GLU 386 Ca -0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2wr0 h GLU 386 Cb 0.95 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2wr0 h GLU 386 CO -0.11 0.43 0.00 1.63 -1.00 0.00 0.00 179.01 179.96 2wr0 n LYS 387 N -4.04 0.18 -2.18 2.33 4.76 -1.01 -4.73 118.16 113.46 2wr0 n LYS 387 Ca -0.02 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2wr0 n LYS 387 Cb 0.45 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 2wr0 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr0 s MET 388 N -2.75 4.22 -0.00 1.97 1.75 -1.01 -4.98 119.30 118.50 2wr0 s MET 388 Ca 0.16 1.98 -0.29 0.00 -1.25 0.00 0.00 55.69 56.29 2wr0 s MET 388 Cb 0.14 -3.83 -0.03 0.00 2.84 0.00 0.00 34.83 33.94 2wr0 s MET 388 CO 0.34 -0.75 0.93 1.21 -0.65 0.00 0.00 175.02 176.10 2wr0 s ASN 389 N 2.62 7.31 -0.05 1.11 2.47 -1.26 -5.05 114.94 122.09 2wr0 s ASN 389 Ca 0.66 1.59 0.01 0.00 0.42 0.00 0.00 52.86 55.54 2wr0 s ASN 389 Cb -0.29 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 36.98 2wr0 s ASN 389 CO 0.24 -0.22 -0.07 0.28 -3.72 0.00 0.00 177.10 173.62 2wr0 s THR 390 N 0.89 0.71 0.08 -5.21 -1.32 -1.26 -5.03 115.64 104.49 2wr0 s THR 390 Ca 0.49 -0.22 0.03 0.00 -1.21 0.00 0.00 61.69 60.77 2wr0 s THR 390 Cb -0.21 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2wr0 s THR 390 CO 0.26 0.26 -0.08 0.00 -2.21 0.00 0.00 174.62 172.85 2wr0 s GLN 391 N 0.85 0.76 0.19 7.08 -2.07 -1.26 -5.01 119.66 120.20 2wr0 s GLN 391 Ca -0.12 -1.12 -0.32 0.00 -1.82 0.00 0.00 55.36 51.98 2wr0 s GLN 391 Cb -0.15 -0.35 -0.12 0.00 -1.09 0.00 0.00 33.01 31.30 2wr0 s GLN 391 CO 0.01 0.04 1.72 0.34 -1.32 0.00 0.00 175.29 176.07 2wr0 n PHE 392 N 0.58 2.67 -3.91 9.60 7.35 -1.26 -4.53 117.46 127.96 2wr0 n PHE 392 Ca -0.16 0.05 -0.11 0.00 -0.76 0.00 0.00 57.45 56.47 2wr0 n PHE 392 Cb 0.58 -2.66 -0.11 0.00 0.35 0.00 0.00 39.48 37.64 2wr0 n PHE 392 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2wr0 s GLU 393 N 1.31 0.33 -0.35 -4.13 2.02 -0.72 -4.95 118.70 112.23 2wr0 s GLU 393 Ca 0.76 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 55.37 2wr0 s GLU 393 Cb -0.53 0.13 0.08 0.00 0.10 0.00 0.00 34.13 33.91 2wr0 s GLU 393 CO 0.34 -0.07 0.08 0.00 0.02 0.00 0.00 175.26 175.63 2wr0 s ALA 394 N -1.10 2.96 0.20 5.21 0.00 -1.26 -1.20 121.76 126.56 2wr0 s ALA 394 Ca -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 51.96 49.69 2wr0 s ALA 394 Cb -0.07 -2.13 0.15 0.00 0.00 0.00 0.00 23.12 21.08 2wr0 s ALA 394 CO 0.00 -1.51 1.56 0.28 0.00 0.00 0.00 175.76 176.10 2wr0 h VAL 395 N 6.43 1.29 -3.80 0.00 2.07 -1.32 -3.45 116.25 117.47 2wr0 h VAL 395 Ca -0.17 -1.57 -0.48 0.00 0.82 0.00 0.00 66.70 65.30 2wr0 h VAL 395 Cb 1.05 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2wr0 h VAL 395 CO 0.60 0.50 0.34 -0.83 0.02 0.00 0.00 177.57 178.20 2wr0 s GLY 396 N -4.00 2.97 0.17 2.17 0.00 -1.26 -4.96 107.32 102.40 2wr0 s GLY 396 Ca -0.08 0.56 0.06 0.00 0.00 0.00 0.00 44.72 45.26 2wr0 s GLY 396 CO 0.84 1.07 -0.12 0.54 0.00 0.00 0.00 173.10 175.43 2wr0 s LYS 397 N -1.57 1.16 -0.20 2.90 -0.14 -1.26 -4.60 119.74 116.02 2wr0 s LYS 397 Ca 0.45 -1.47 -0.06 0.00 -1.36 0.00 0.00 55.97 53.53 2wr0 s LYS 397 Cb -0.23 -0.86 -0.03 0.00 -1.68 0.00 0.00 37.83 35.03 2wr0 s LYS 397 CO 0.28 0.13 0.03 -1.21 -0.76 0.00 0.00 175.35 173.83 2wr0 s GLU 398 N -3.53 3.73 0.01 1.68 0.41 -1.26 -5.09 118.70 114.66 2wr0 s GLU 398 Ca 0.18 -0.46 0.04 0.00 -0.41 0.00 0.00 54.97 54.32 2wr0 s GLU 398 Cb 0.00 -3.16 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 2wr0 s GLU 398 CO 0.03 0.06 -0.13 -0.06 -0.49 0.00 0.00 175.26 174.67 2wr0 s PHE 399 N 0.91 1.19 0.89 1.61 0.08 -1.26 -4.94 117.98 116.46 2wr0 s PHE 399 Ca 0.02 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.64 2wr0 s PHE 399 Cb -0.14 -0.74 0.20 0.00 -0.57 0.00 0.00 43.02 41.78 2wr0 s PHE 399 CO 0.02 0.01 1.21 -1.13 -0.10 0.00 0.00 175.22 175.23 2wr0 n SER 400 N 2.33 0.12 -0.17 1.36 3.41 -1.26 -4.94 113.62 114.47 2wr0 n SER 400 Ca -0.16 -1.46 0.15 0.00 -0.26 0.00 0.00 58.87 57.14 2wr0 n SER 400 Cb 0.55 -0.92 0.66 0.00 -0.26 0.00 0.00 64.21 64.24 2wr0 n SER 400 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wr0 n ASN 401 N -3.76 0.61 -1.77 4.04 2.04 -1.26 -2.06 115.26 113.09 2wr0 n ASN 401 Ca 0.15 -0.89 -0.13 0.00 -0.44 0.00 0.00 54.58 53.27 2wr0 n ASN 401 Cb 0.53 -0.03 0.21 0.00 -2.53 0.00 0.00 39.78 37.96 2wr0 n ASN 401 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2wr0 n LEU 402 N -0.70 5.62 -1.70 -4.53 4.77 -1.26 -4.43 117.00 114.78 2wr0 n LEU 402 Ca 0.18 -3.57 -0.00 0.00 -0.03 0.00 0.00 56.01 52.59 2wr0 n LEU 402 Cb 0.26 -0.74 0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2wr0 n LEU 402 CO 0.21 1.06 0.12 -0.62 -1.33 0.00 0.00 177.39 176.83 2wr0 n GLU 403 N -0.94 1.21 -0.03 3.23 1.02 -0.88 -4.86 120.64 119.39 2wr0 n GLU 403 Ca 0.46 -2.92 -0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2wr0 n GLU 403 Cb 1.38 -1.02 0.29 0.00 -0.02 0.00 0.00 31.44 32.07 2wr0 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr0 h ARG 404 N 1.54 0.60 -0.18 3.49 2.47 -1.77 0.82 114.38 121.34 2wr0 h ARG 404 Ca -0.08 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 2wr0 h ARG 404 Cb 1.51 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 2wr0 h ARG 404 CO 0.18 0.57 0.06 0.00 0.56 0.00 0.00 179.97 181.34 2wr0 h ARG 405 N 0.58 0.28 -0.35 0.04 3.08 -1.95 0.20 114.38 116.26 2wr0 h ARG 405 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2wr0 h ARG 405 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2wr0 h ARG 405 CO 0.00 0.39 0.18 1.25 -1.07 0.00 0.00 179.97 180.72 2wr0 h LEU 406 N 0.12 0.45 -0.59 3.04 5.85 -1.85 0.71 115.31 123.03 2wr0 h LEU 406 Ca 0.06 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2wr0 h LEU 406 Cb 0.22 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2wr0 h LEU 406 CO -0.00 0.43 0.27 -0.08 -0.34 0.00 0.00 178.44 178.71 2wr0 h GLU 407 N 0.44 0.47 -0.42 1.25 4.81 -0.71 -1.22 114.58 119.20 2wr0 h GLU 407 Ca 0.12 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2wr0 h GLU 407 Cb 0.09 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wr0 h GLU 407 CO -0.02 0.31 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.57 2wr0 h ASN 408 N 0.49 0.68 -0.51 1.04 -1.24 -0.14 -0.67 115.58 115.24 2wr0 h ASN 408 Ca 0.28 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.09 2wr0 h ASN 408 Cb 0.27 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 2wr0 h ASN 408 CO -0.24 0.77 0.17 0.25 -1.29 0.00 0.00 177.43 177.10 2wr0 h LEU 409 N 0.66 0.73 -1.20 0.34 5.85 -0.30 -0.01 115.31 121.37 2wr0 h LEU 409 Ca 0.13 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2wr0 h LEU 409 Cb 0.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wr0 h LEU 409 CO 0.02 0.73 0.07 -1.13 -0.34 0.00 0.00 178.44 177.79 2wr0 h ASN 410 N 0.68 0.58 -0.19 1.25 -1.24 -0.91 -1.79 115.58 113.96 2wr0 h ASN 410 Ca 0.16 -0.10 -0.17 0.00 0.71 0.00 0.00 56.30 56.91 2wr0 h ASN 410 Cb 0.26 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2wr0 h ASN 410 CO -0.01 0.60 -0.55 0.50 -1.29 0.00 0.00 177.43 176.69 2wr0 h LYS 411 N 0.61 0.71 -0.81 6.67 3.64 -0.73 -2.39 116.57 124.26 2wr0 h LYS 411 Ca 0.14 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2wr0 h LYS 411 Cb 0.28 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2wr0 h LYS 411 CO 0.00 1.13 0.43 -0.22 -2.27 0.00 0.00 179.45 178.52 2wr0 h LYS 412 N 0.42 1.14 -0.13 1.90 3.64 -0.78 -0.65 116.57 122.09 2wr0 h LYS 412 Ca -0.01 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2wr0 h LYS 412 Cb 1.17 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2wr0 h LYS 412 CO 0.12 0.85 0.06 1.98 -2.27 0.00 0.00 179.45 180.18 2wr0 h MET 413 N 1.14 0.20 -0.38 1.90 4.05 -1.25 0.18 114.93 120.77 2wr0 h MET 413 Ca 0.28 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.61 2wr0 h MET 413 Cb 0.05 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2wr0 h MET 413 CO -0.04 0.27 -0.03 0.93 0.23 0.00 0.00 176.91 178.27 2wr0 h GLU 414 N 0.08 0.62 -0.44 0.39 4.39 -1.23 -1.88 114.58 116.52 2wr0 h GLU 414 Ca 0.05 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 2wr0 h GLU 414 Cb 0.14 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2wr0 h GLU 414 CO -0.00 0.66 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.83 2wr0 h ASP 415 N 0.58 0.94 -0.26 1.42 3.32 -0.85 -1.49 116.42 120.07 2wr0 h ASP 415 Ca 0.12 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2wr0 h ASP 415 Cb 0.41 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2wr0 h ASP 415 CO 0.02 1.12 0.12 1.23 -1.72 0.00 0.00 179.24 180.01 2wr0 h GLY 416 N 0.90 0.41 1.16 2.75 0.00 -0.34 -1.10 103.07 106.86 2wr0 h GLY 416 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 2wr0 h GLY 416 CO 0.07 0.20 0.26 0.74 0.00 0.00 0.00 176.54 177.80 2wr0 h PHE 417 N 0.29 1.09 -0.35 5.60 0.04 -1.35 -1.39 116.94 120.87 2wr0 h PHE 417 Ca 0.09 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2wr0 h PHE 417 Cb 0.13 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2wr0 h PHE 417 CO -0.02 0.84 0.17 1.25 -0.60 0.00 0.00 178.31 179.95 2wr0 h LEU 418 N 1.04 0.24 -0.44 1.54 5.85 -0.98 -0.77 115.31 121.78 2wr0 h LEU 418 Ca 0.24 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2wr0 h LEU 418 Cb 0.24 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2wr0 h LEU 418 CO -0.02 0.18 0.27 0.44 -0.34 0.00 0.00 178.44 178.97 2wr0 h ASP 419 N 0.35 0.53 -0.03 1.25 3.32 -0.91 -0.38 116.42 120.55 2wr0 h ASP 419 Ca 0.15 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wr0 h ASP 419 Cb 0.07 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2wr0 h ASP 419 CO -0.11 0.42 0.01 0.58 -1.72 0.00 0.00 179.24 178.43 2wr0 h VAL 420 N 0.58 1.09 -0.19 -1.35 2.07 -0.94 -1.22 116.25 116.30 2wr0 h VAL 420 Ca 0.16 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2wr0 h VAL 420 Cb -0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2wr0 h VAL 420 CO -0.03 0.07 -0.01 -0.50 0.02 0.00 0.00 177.57 177.12 2wr0 h TRP 421 N -0.06 0.37 -0.20 1.57 4.06 -1.10 -1.68 115.95 118.91 2wr0 h TRP 421 Ca 0.01 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 60.91 2wr0 h TRP 421 Cb 0.10 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 2wr0 h TRP 421 CO -0.04 0.55 0.06 1.15 -3.56 0.00 0.00 178.44 176.60 2wr0 h THR 422 N 0.08 0.95 0.04 1.49 2.02 -1.07 0.11 112.91 116.52 2wr0 h THR 422 Ca 0.05 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wr0 h THR 422 Cb 0.41 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2wr0 h THR 422 CO 0.01 0.03 -0.02 0.22 0.37 0.00 0.00 175.52 176.13 2wr0 h TYR 423 N 0.15 -0.05 -0.47 3.16 3.20 -1.18 -1.76 116.97 120.03 2wr0 h TYR 423 Ca 0.08 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2wr0 h TYR 423 Cb 0.06 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2wr0 h TYR 423 CO -0.12 -0.03 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.37 2wr0 h ASN 424 N -0.05 0.83 -0.31 -2.11 2.35 -1.17 -2.10 115.58 113.02 2wr0 h ASN 424 Ca -0.01 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 2wr0 h ASN 424 Cb 0.04 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2wr0 h ASN 424 CO 0.01 0.95 -0.21 0.00 -1.65 0.00 0.00 177.43 176.52 2wr0 h ALA 425 N 1.13 0.44 0.28 -0.83 0.00 -0.65 -0.22 119.26 119.41 2wr0 h ALA 425 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wr0 h ALA 425 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wr0 h ALA 425 CO 0.04 0.40 -0.22 0.93 0.00 0.00 0.00 179.25 180.39 2wr0 h GLU 426 N 0.45 -0.49 -0.51 0.00 4.39 -1.26 -2.20 114.58 114.95 2wr0 h GLU 426 Ca 0.06 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2wr0 h GLU 426 Cb 0.76 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2wr0 h GLU 426 CO 0.06 -0.33 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.48 2wr0 h LEU 427 N -0.51 0.86 -0.14 1.33 3.38 -1.36 -1.32 115.31 117.55 2wr0 h LEU 427 Ca -0.02 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wr0 h LEU 427 Cb 0.45 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2wr0 h LEU 427 CO -0.02 0.94 -0.14 0.25 0.09 0.00 0.00 178.44 179.57 2wr0 h LEU 428 N 0.81 -0.43 -0.54 1.67 5.85 -0.98 0.12 115.31 121.82 2wr0 h LEU 428 Ca 0.15 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2wr0 h LEU 428 Cb 0.53 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2wr0 h LEU 428 CO 0.03 -0.18 0.34 0.58 -0.34 0.00 0.00 178.44 178.87 2wr0 h VAL 429 N -0.16 1.15 -0.43 1.05 2.07 -1.10 -0.55 116.25 118.28 2wr0 h VAL 429 Ca 0.10 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2wr0 h VAL 429 Cb 0.30 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2wr0 h VAL 429 CO -0.24 0.15 0.24 -0.07 0.02 0.00 0.00 177.57 177.67 2wr0 h LEU 430 N 0.72 0.38 0.04 2.57 3.38 -0.82 -0.32 115.31 121.27 2wr0 h LEU 430 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wr0 h LEU 430 Cb -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wr0 h LEU 430 CO -0.04 0.27 -0.02 0.24 0.09 0.00 0.00 178.44 178.98 2wr0 h MET 431 N 0.49 -0.06 -0.74 1.13 2.86 -0.52 -1.91 114.93 116.18 2wr0 h MET 431 Ca 0.17 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2wr0 h MET 431 Cb 0.03 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2wr0 h MET 431 CO -0.09 0.34 0.40 0.93 1.06 0.00 0.00 176.91 179.55 2wr0 h GLU 432 N -0.47 1.03 -0.54 1.72 4.39 -1.10 -1.75 114.58 117.87 2wr0 h GLU 432 Ca -0.01 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2wr0 h GLU 432 Cb 0.43 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2wr0 h GLU 432 CO 0.01 0.76 0.32 -0.91 -1.16 0.00 0.00 179.01 178.03 2wr0 h ASN 433 N 1.04 0.65 0.37 1.42 2.35 -1.04 0.15 115.58 120.51 2wr0 h ASN 433 Ca 0.26 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2wr0 h ASN 433 Cb 0.04 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2wr0 h ASN 433 CO -0.04 0.52 -0.37 -0.08 -1.65 0.00 0.00 177.43 175.81 2wr0 h GLU 434 N 0.72 -0.74 -0.50 0.81 4.81 -1.00 -2.03 114.58 116.64 2wr0 h GLU 434 Ca 0.19 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2wr0 h GLU 434 Cb -0.00 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2wr0 h GLU 434 CO -0.03 -0.49 0.30 0.00 -0.73 0.00 0.00 179.01 178.06 2wr0 h ARG 435 N -0.76 0.68 -0.32 1.92 3.08 -1.13 -2.26 114.38 115.59 2wr0 h ARG 435 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2wr0 h ARG 435 Cb 0.69 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2wr0 h ARG 435 CO -0.07 0.48 0.17 1.15 -1.07 0.00 0.00 179.97 180.63 2wr0 h THR 436 N 0.69 1.14 -0.68 2.04 2.02 -0.48 0.19 112.91 117.83 2wr0 h THR 436 Ca 0.18 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.03 2wr0 h THR 436 Cb -0.03 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2wr0 h THR 436 CO -0.03 0.14 0.41 -0.07 0.37 0.00 0.00 175.52 176.34 2wr0 h LEU 437 N 0.40 0.65 -1.02 2.58 4.07 -0.82 -2.07 115.31 119.10 2wr0 h LEU 437 Ca 0.11 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.00 2wr0 h LEU 437 Cb 0.08 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2wr0 h LEU 437 CO -0.02 0.44 -0.25 0.44 -1.08 0.00 0.00 178.44 177.97 2wr0 h ASP 438 N 0.78 0.40 -0.29 -0.43 3.32 -1.16 -1.37 116.42 117.67 2wr0 h ASP 438 Ca 0.29 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2wr0 h ASP 438 Cb 0.09 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2wr0 h ASP 438 CO -0.14 0.65 0.12 0.15 -1.72 0.00 0.00 179.24 178.31 2wr0 h PHE 439 N 0.36 0.22 -0.36 4.55 3.57 0.03 0.32 116.94 125.64 2wr0 h PHE 439 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2wr0 h PHE 439 Cb 0.63 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2wr0 h PHE 439 CO 0.02 0.11 0.11 0.45 -2.23 0.00 0.00 178.31 176.77 2wr0 h HIS 440 N 0.27 0.58 -0.12 0.41 3.86 -1.12 -0.62 115.15 118.41 2wr0 h HIS 440 Ca 0.12 -0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2wr0 h HIS 440 Cb 0.07 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.31 2wr0 h HIS 440 CO -0.11 0.56 -0.31 0.22 0.86 0.00 0.00 177.93 179.15 2wr0 h ASP 441 N 0.42 -0.96 -0.49 2.45 3.58 -0.85 -1.19 116.42 119.39 2wr0 h ASP 441 Ca 0.11 0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.77 2wr0 h ASP 441 Cb 0.26 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 2wr0 h ASP 441 CO -0.00 -0.35 0.19 -1.28 -2.88 0.00 0.00 179.24 174.92 2wr0 h SER 442 N -0.39 0.22 -1.00 2.28 0.87 -0.10 -1.02 113.55 114.41 2wr0 h SER 442 Ca 0.09 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2wr0 h SER 442 Cb 0.54 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 2wr0 h SER 442 CO -0.34 0.15 0.64 0.78 -0.53 0.00 0.00 176.83 177.54 2wr0 h ASN 443 N 0.38 1.01 -0.23 6.23 2.35 -0.55 -0.07 115.58 124.69 2wr0 h ASN 443 Ca 0.23 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2wr0 h ASN 443 Cb 0.22 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2wr0 h ASN 443 CO -0.22 0.62 -0.25 0.58 -1.65 0.00 0.00 177.43 176.51 2wr0 h VAL 444 N 1.13 1.32 -0.77 2.81 2.07 -0.24 -2.19 116.25 120.38 2wr0 h VAL 444 Ca 0.44 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2wr0 h VAL 444 Cb 0.23 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2wr0 h VAL 444 CO -0.19 0.44 0.50 0.50 0.02 0.00 0.00 177.57 178.85 2wr0 h LYS 445 N 0.28 0.98 -0.44 1.57 1.63 -0.67 -0.06 116.57 119.87 2wr0 h LYS 445 Ca 0.03 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 2wr0 h LYS 445 Cb 0.81 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2wr0 h LYS 445 CO 0.06 0.65 -0.02 -0.91 -3.45 0.00 0.00 179.45 175.77 2wr0 h ASN 446 N 1.01 0.71 -0.27 4.20 2.35 -0.98 -0.46 115.58 122.13 2wr0 h ASN 446 Ca 0.29 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2wr0 h ASN 446 Cb -0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2wr0 h ASN 446 CO -0.08 0.79 0.05 0.25 -1.65 0.00 0.00 177.43 176.79 2wr0 h LEU 447 N 0.68 0.43 -1.24 1.61 5.85 -0.78 -0.39 115.31 121.47 2wr0 h LEU 447 Ca 0.13 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2wr0 h LEU 447 Cb 0.46 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2wr0 h LEU 447 CO 0.02 0.57 0.54 0.22 -0.34 0.00 0.00 178.44 179.45 2wr0 h TYR 448 N 0.26 0.93 -0.01 1.25 3.20 -0.73 -2.49 116.97 119.38 2wr0 h TYR 448 Ca 0.08 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.80 2wr0 h TYR 448 Cb 0.33 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2wr0 h TYR 448 CO 0.02 0.50 -0.80 -0.44 -1.64 0.00 0.00 178.16 175.79 2wr0 h ASP 449 N 0.92 0.20 -0.54 -2.11 3.32 -0.70 -2.17 116.42 115.35 2wr0 h ASP 449 Ca 0.35 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2wr0 h ASP 449 Cb 0.19 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 2wr0 h ASP 449 CO -0.12 0.92 0.27 0.50 -1.72 0.00 0.00 179.24 179.09 2wr0 h LYS 450 N 0.10 0.49 -0.17 3.56 3.64 -0.63 -1.74 116.57 121.82 2wr0 h LYS 450 Ca -0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2wr0 h LYS 450 Cb 1.40 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2wr0 h LYS 450 CO 0.12 0.33 -0.06 0.28 -2.27 0.00 0.00 179.45 177.85 2wr0 h VAL 451 N 0.51 1.30 0.34 2.00 2.07 -1.44 -2.90 116.25 118.12 2wr0 h VAL 451 Ca 0.25 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2wr0 h VAL 451 Cb 0.18 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2wr0 h VAL 451 CO -0.18 0.32 -0.47 -0.09 0.02 0.00 0.00 177.57 177.17 2wr0 h ARG 452 N 0.04 -0.82 0.00 1.57 2.43 -1.27 -1.77 114.38 114.56 2wr0 h ARG 452 Ca 0.04 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2wr0 h ARG 452 Cb 0.51 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2wr0 h ARG 452 CO 0.02 -0.55 -0.02 0.52 -1.51 0.00 0.00 179.97 178.44 2wr0 h MET 453 N -0.85 0.00 0.03 0.20 2.86 -1.37 0.18 114.93 115.97 2wr0 h MET 453 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2wr0 h MET 453 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2wr0 h MET 453 CO -0.14 0.02 -0.01 1.96 1.06 0.00 0.00 176.91 179.80 2wr0 h GLN 454 N 0.00 -0.03 -0.10 1.72 4.20 -1.29 -3.38 115.11 116.22 2wr0 h GLN 454 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2wr0 h GLN 454 Cb 0.09 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2wr0 h GLN 454 CO 0.00 0.65 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.61 2wr0 h LEU 455 N -0.79 0.29 0.00 1.46 3.38 -0.39 -3.45 115.31 115.82 2wr0 h LEU 455 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2wr0 h LEU 455 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wr0 h LEU 455 CO 0.01 0.74 0.00 0.54 0.09 0.00 0.00 178.44 179.82 2wr0 n ARG 456 N -4.61 0.00 0.00 1.13 1.74 0.52 -1.97 116.66 113.47 2wr0 n ARG 456 Ca -0.07 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2wr0 n ARG 456 Cb 0.35 0.00 0.68 0.00 -1.02 0.00 0.00 32.46 32.48 2wr0 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wr0 n ASP 457 N 3.39 0.00 0.00 0.55 3.85 -1.26 -3.13 116.55 119.95 2wr0 n ASP 457 Ca 0.00 0.01 0.11 0.00 -0.71 0.00 0.00 54.79 54.19 2wr0 n ASP 457 Cb 0.00 -0.33 0.62 0.00 -1.35 0.00 0.00 41.12 40.07 2wr0 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr0 n ASN 458 N -1.33 0.00 -3.71 -1.12 4.13 -0.83 -4.78 115.26 107.62 2wr0 n ASN 458 Ca 0.12 -0.73 -0.10 0.00 1.68 0.00 0.00 54.58 55.55 2wr0 n ASN 458 Cb 0.24 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.43 2wr0 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr0 s VAL 459 N -2.00 0.09 -0.11 2.41 -7.23 -1.18 -1.54 120.40 110.83 2wr0 s VAL 459 Ca 0.32 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 2wr0 s VAL 459 Cb 0.14 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2wr0 s VAL 459 CO 0.24 -0.41 0.16 -0.75 -0.31 0.00 0.00 175.10 174.04 2wr0 s LYS 460 N -3.61 3.50 -0.79 4.82 2.20 0.22 -4.86 119.74 121.22 2wr0 s LYS 460 Ca 0.02 -0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 2wr0 s LYS 460 Cb 0.02 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2wr0 s LYS 460 CO -0.10 0.76 1.51 -1.21 -0.36 0.00 0.00 175.35 175.95 2wr0 s GLU 461 N -0.98 3.09 0.00 4.03 2.02 -1.26 -1.68 118.70 123.91 2wr0 s GLU 461 Ca 0.15 -0.24 0.17 0.00 0.02 0.00 0.00 54.97 55.08 2wr0 s GLU 461 Cb -0.12 -4.56 0.86 0.00 0.10 0.00 0.00 34.13 30.40 2wr0 s GLU 461 CO 0.04 -2.42 1.52 -0.11 0.02 0.00 0.00 175.26 174.32 2wr0 n LEU 462 N 10.49 0.00 0.00 1.80 7.94 -0.82 -4.99 117.00 131.42 2wr0 n LEU 462 Ca 0.17 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2wr0 n LEU 462 Cb 0.50 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2wr0 n LEU 462 CO 0.69 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 2wr0 n GLY 463 N 0.20 -2.31 2.41 -3.96 0.00 -1.26 -4.88 105.19 95.39 2wr0 n GLY 463 Ca 0.08 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 2wr0 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr0 n ASN 464 N -0.35 -0.94 -0.09 1.61 2.04 -1.21 -0.99 115.26 115.34 2wr0 n ASN 464 Ca 0.00 0.33 -0.01 0.00 -0.44 0.00 0.00 54.58 54.46 2wr0 n ASN 464 Cb 0.00 -0.92 -0.00 0.00 -2.53 0.00 0.00 39.78 36.32 2wr0 n ASN 464 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wr0 n GLY 465 N -0.48 0.50 3.77 4.83 0.00 -1.26 -4.67 105.19 107.87 2wr0 n GLY 465 Ca 0.01 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2wr0 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr0 s PHE 467 N -1.28 2.70 -0.30 0.00 0.08 0.14 -1.95 117.98 117.37 2wr0 s PHE 467 Ca 0.26 -1.14 -0.15 0.00 0.12 0.00 0.00 56.93 56.02 2wr0 s PHE 467 Cb -0.12 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2wr0 s PHE 467 CO 0.18 -0.50 0.35 -2.00 -0.10 0.00 0.00 175.22 173.15 2wr0 s GLU 468 N 0.71 3.85 0.21 0.44 2.12 -0.67 -1.45 118.70 123.90 2wr0 s GLU 468 Ca -0.09 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 2wr0 s GLU 468 Cb -0.16 -3.71 -0.08 0.00 0.26 0.00 0.00 34.13 30.44 2wr0 s GLU 468 CO 0.01 -0.36 1.10 -0.06 -0.54 0.00 0.00 175.26 175.41 2wr0 s PHE 469 N 2.03 3.59 -2.21 5.30 0.08 0.29 -0.61 117.98 126.45 2wr0 s PHE 469 Ca 0.13 1.63 0.18 0.00 0.12 0.00 0.00 56.93 58.99 2wr0 s PHE 469 Cb -0.16 -3.28 0.63 0.00 -0.57 0.00 0.00 43.02 39.64 2wr0 s PHE 469 CO 0.11 -0.59 1.47 0.66 -0.10 0.00 0.00 175.22 176.77 2wr0 n TYR 470 N 2.01 0.29 -4.15 0.36 4.01 -0.59 -4.80 117.16 114.29 2wr0 n TYR 470 Ca 0.02 -0.15 -0.14 0.00 -0.16 0.00 0.00 57.90 57.47 2wr0 n TYR 470 Cb 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.42 2wr0 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr0 s HIS 471 N -1.71 1.13 -0.46 -0.72 -3.43 -1.26 -4.07 115.29 104.78 2wr0 s HIS 471 Ca 0.31 -1.30 -0.28 0.00 -0.80 0.00 0.00 55.06 52.98 2wr0 s HIS 471 Cb 0.16 -0.31 0.03 0.00 -1.43 0.00 0.00 32.58 31.03 2wr0 s HIS 471 CO 0.24 -0.92 1.10 0.15 -2.00 0.00 0.00 174.74 173.31 2wr0 s LYS 472 N -3.60 3.73 -0.53 -0.38 -0.14 -1.26 -4.91 119.74 112.65 2wr0 s LYS 472 Ca 0.34 0.56 -0.12 0.00 -1.36 0.00 0.00 55.97 55.39 2wr0 s LYS 472 Cb 0.02 -3.89 0.13 0.00 -1.68 0.00 0.00 37.83 32.41 2wr0 s LYS 472 CO 0.18 -1.30 0.44 0.00 -0.76 0.00 0.00 175.35 173.90 2wr0 s ASP 474 N 2.88 1.80 0.20 0.00 1.47 -1.26 -4.68 116.67 117.07 2wr0 s ASP 474 Ca 0.06 0.38 -0.11 0.00 1.18 0.00 0.00 52.55 54.06 2wr0 s ASP 474 Cb -0.26 -0.47 0.22 0.00 -0.34 0.00 0.00 42.92 42.08 2wr0 s ASP 474 CO -0.00 -3.56 1.75 0.44 0.68 0.00 0.00 175.17 174.48 2wr0 h ASP 475 N -2.20 0.21 -0.75 2.11 5.19 -1.99 0.09 116.42 119.08 2wr0 h ASP 475 Ca -0.44 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.02 2wr0 h ASP 475 Cb 1.26 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.78 2wr0 h ASP 475 CO 0.33 0.14 0.40 -0.08 -3.12 0.00 0.00 179.24 176.90 2wr0 h GLU 476 N 0.39 1.06 -0.24 3.56 4.57 -1.99 -0.93 114.58 120.99 2wr0 h GLU 476 Ca 0.27 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2wr0 h GLU 476 Cb 0.31 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2wr0 h GLU 476 CO -0.27 0.79 0.12 0.00 -1.18 0.00 0.00 179.01 178.47 2wr0 h MET 478 N 0.27 1.20 -0.39 0.00 2.86 -0.48 -1.81 114.93 116.58 2wr0 h MET 478 Ca 0.08 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2wr0 h MET 478 Cb 0.10 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2wr0 h MET 478 CO -0.01 0.80 -0.08 -0.91 1.06 0.00 0.00 176.91 177.77 2wr0 h ASN 479 N 1.24 0.64 0.23 1.22 2.35 -0.92 -1.00 115.58 119.34 2wr0 h ASN 479 Ca 0.35 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2wr0 h ASN 479 Cb -0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2wr0 h ASN 479 CO -0.08 0.76 -0.27 0.77 -1.65 0.00 0.00 177.43 176.96 2wr0 h SER 480 N 0.61 0.07 -0.01 5.81 4.64 -0.49 -0.61 113.55 123.57 2wr0 h SER 480 Ca 0.11 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2wr0 h SER 480 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2wr0 h SER 480 CO 0.03 0.34 -0.04 0.58 -0.87 0.00 0.00 176.83 176.87 2wr0 h VAL 481 N 0.07 1.47 0.00 0.95 2.07 -1.02 0.63 116.25 120.42 2wr0 h VAL 481 Ca 0.01 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 2wr0 h VAL 481 Cb 0.51 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2wr0 h VAL 481 CO 0.04 0.39 -0.01 0.11 0.02 0.00 0.00 177.57 178.12 2wr0 h LYS 482 N -0.53 0.00 -0.25 1.57 1.57 -0.77 -2.18 116.57 115.98 2wr0 h LYS 482 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wr0 h LYS 482 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wr0 h LYS 482 CO 0.01 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.17 2wr0 n ASN 483 N -3.41 3.25 -1.53 0.86 0.23 -0.27 -4.99 115.26 109.39 2wr0 n ASN 483 Ca -0.03 -2.57 -0.14 0.00 -0.53 0.00 0.00 54.58 51.30 2wr0 n ASN 483 Cb 0.09 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 2wr0 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr0 n GLY 484 N -0.22 0.15 0.63 4.83 0.00 -0.82 -4.88 105.19 104.88 2wr0 n GLY 484 Ca 0.16 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2wr0 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr0 n THR 485 N -3.70 1.27 -1.77 2.61 -2.24 0.09 -5.04 114.28 105.51 2wr0 n THR 485 Ca -0.17 -1.95 -0.41 0.00 -2.27 0.00 0.00 64.05 59.26 2wr0 n THR 485 Cb 0.60 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2wr0 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr0 n TYR 486 N -0.67 2.98 -3.23 4.78 9.36 -0.48 -4.87 117.16 125.04 2wr0 n TYR 486 Ca 0.12 0.36 -0.46 0.00 3.32 0.00 0.00 57.90 61.25 2wr0 n TYR 486 Cb 0.78 -2.57 -0.03 0.00 -0.63 0.00 0.00 39.34 36.90 2wr0 n TYR 486 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2wr0 s ASP 487 N 0.12 6.63 0.05 2.98 -1.08 -1.26 -4.92 116.67 119.19 2wr0 s ASP 487 Ca 0.57 -2.36 -0.22 0.00 -0.52 0.00 0.00 52.55 50.02 2wr0 s ASP 487 Cb -0.48 -2.26 -0.13 0.00 -1.46 0.00 0.00 42.92 38.59 2wr0 s ASP 487 CO 0.58 -0.75 1.48 0.22 0.52 0.00 0.00 175.17 177.22 2wr0 h TYR 488 N 8.23 0.24 -0.77 -5.34 3.20 -1.92 -3.09 116.97 117.51 2wr0 h TYR 488 Ca 0.04 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2wr0 h TYR 488 Cb 1.05 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 2wr0 h TYR 488 CO 1.02 0.46 0.50 -1.35 -1.64 0.00 0.00 178.16 177.15 2wr0 h PRO 489 N -0.05 0.68 -0.61 1.82 0.11 -1.96 -1.96 132.00 130.04 2wr0 h PRO 489 Ca 0.03 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2wr0 h PRO 489 Cb 0.37 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 2wr0 h PRO 489 CO 0.01 0.45 0.40 -0.22 -0.21 0.00 0.00 178.00 178.43 2wr0 h LYS 490 N 0.70 0.73 -0.24 1.05 3.64 -1.96 -2.85 116.57 117.63 2wr0 h LYS 490 Ca 0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2wr0 h LYS 490 Cb 0.44 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wr0 h LYS 490 CO -0.13 0.48 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 2wr0 n TYR 491 N -4.46 0.30 -1.78 1.91 4.02 -0.78 -4.87 117.16 111.50 2wr0 n TYR 491 Ca 0.07 -0.16 -0.36 0.00 -0.01 0.00 0.00 57.90 57.45 2wr0 n TYR 491 Cb 0.10 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.48 2wr0 n TYR 491 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2wr0 s GLU 492 N -1.64 2.64 -0.01 -0.72 2.02 -0.93 -4.32 118.70 115.73 2wr0 s GLU 492 Ca 0.34 1.86 -0.02 0.00 0.02 0.00 0.00 54.97 57.17 2wr0 s GLU 492 Cb 0.21 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.56 2wr0 s GLU 492 CO 0.30 -1.48 0.03 0.39 0.02 0.00 0.00 175.26 174.52 2wr0 n GLU 493 N -2.00 -3.51 -0.88 1.61 4.71 -1.18 -4.90 120.64 114.49 2wr0 n GLU 493 Ca 0.14 2.72 0.00 0.00 -0.01 0.00 0.00 57.16 60.01 2wr0 n GLU 493 Cb 0.49 -3.48 0.00 0.00 -1.01 0.00 0.00 31.44 27.45 2wr0 n GLU 493 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2wr0 n GLU 494 N 1.24 0.00 -3.53 3.49 2.13 0.15 -5.09 120.64 119.03 2wr0 n GLU 494 Ca -0.05 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.55 2wr0 n GLU 494 Cb 0.08 -0.98 -0.14 0.00 0.27 0.00 0.00 31.44 30.67 2wr0 n GLU 494 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wr0 s SER 495 N -2.34 1.99 0.00 4.31 0.01 0.15 -4.12 113.70 113.70 2wr0 s SER 495 Ca 0.00 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2wr0 s SER 495 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2wr0 s SER 495 CO 0.00 -0.35 0.00 0.29 0.41 0.00 0.00 173.24 173.59 2wr0 n LYS 496 N 5.30 0.00 0.00 12.44 5.02 -1.26 0.63 118.16 140.29 2wr0 n LYS 496 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2wr0 n LYS 496 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2wr0 n LYS 496 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wr0 n ALA 497 N 3.39 2.73 0.49 7.82 0.00 -1.26 -5.09 120.51 128.59 2wr0 n ALA 497 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2wr0 n ALA 497 Cb 0.00 0.47 0.23 0.00 0.00 0.00 0.00 19.45 20.15 2wr0 n ALA 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50