#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr2 s GLN 6 N 0.00 1.18 0.02 -1.24 -2.07 -0.59 -1.48 119.66 115.47 2wr2 s GLN 6 Ca 0.00 -0.36 0.04 0.00 -1.82 0.00 0.00 55.36 53.22 2wr2 s GLN 6 Cb 0.00 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 2wr2 s GLN 6 CO 0.00 -0.48 -0.13 -1.50 -1.32 0.00 0.00 175.29 171.86 2wr2 s ILE 7 N -3.18 1.03 -0.05 3.63 2.07 -0.81 -1.24 121.20 122.64 2wr2 s ILE 7 Ca -0.01 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.45 2wr2 s ILE 7 Cb -0.00 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2wr2 s ILE 7 CO -0.08 0.10 -0.14 0.00 -1.91 0.00 0.00 174.94 172.91 2wr2 s ILE 9 N 0.40 4.72 0.37 0.00 -1.09 0.33 -0.64 121.20 125.28 2wr2 s ILE 9 Ca -0.10 1.31 -0.13 0.00 -2.23 0.00 0.00 60.65 59.50 2wr2 s ILE 9 Cb -0.14 -3.95 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2wr2 s ILE 9 CO 0.03 0.51 0.71 0.61 -1.23 0.00 0.00 174.94 175.58 2wr2 n GLY 10 N 1.89 1.16 3.11 6.18 0.00 -0.43 -4.73 105.19 112.38 2wr2 n GLY 10 Ca -0.09 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 2wr2 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr2 s TYR 11 N -2.62 0.39 0.33 1.61 -0.85 -1.26 -1.39 117.35 113.56 2wr2 s TYR 11 Ca 0.16 -0.88 -0.29 0.00 -0.52 0.00 0.00 57.07 55.55 2wr2 s TYR 11 Cb -0.04 -0.28 -0.10 0.00 0.38 0.00 0.00 41.96 41.92 2wr2 s TYR 11 CO 0.12 -0.41 1.29 -1.58 -1.52 0.00 0.00 175.55 173.45 2wr2 s HIS 12 N -3.67 3.09 0.08 -3.49 5.65 0.33 0.67 115.29 117.95 2wr2 s HIS 12 Ca 0.04 1.44 0.01 0.00 0.25 0.00 0.00 55.06 56.80 2wr2 s HIS 12 Cb 0.06 -3.64 -0.04 0.00 -1.18 0.00 0.00 32.58 27.78 2wr2 s HIS 12 CO -0.09 -1.73 -0.05 0.00 -0.65 0.00 0.00 174.74 172.22 2wr2 s ALA 13 N -1.15 0.81 0.00 1.58 0.00 -0.92 -4.57 121.76 117.51 2wr2 s ALA 13 Ca 0.49 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2wr2 s ALA 13 Cb -0.39 0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2wr2 s ALA 13 CO 0.52 -0.30 0.00 0.27 0.00 0.00 0.00 175.76 176.25 2wr2 n ASN 14 N 0.00 0.00 -1.43 0.00 0.23 -1.26 -4.09 115.26 108.71 2wr2 n ASN 14 Ca -0.12 -0.02 0.11 0.00 -0.53 0.00 0.00 54.58 54.01 2wr2 n ASN 14 Cb 0.61 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.65 2wr2 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr2 n ASN 15 N -0.03 4.23 -4.77 0.53 0.23 -1.26 -4.73 115.26 109.46 2wr2 n ASN 15 Ca 0.00 -2.15 -0.41 0.00 -0.53 0.00 0.00 54.58 51.49 2wr2 n ASN 15 Cb 0.00 -0.52 -0.01 0.00 -2.08 0.00 0.00 39.78 37.17 2wr2 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr2 s SER 16 N -0.97 6.41 -0.08 0.53 0.15 -1.26 -4.91 113.70 113.57 2wr2 s SER 16 Ca 0.50 2.97 0.12 0.00 0.70 0.00 0.00 55.95 60.23 2wr2 s SER 16 Cb 0.28 -2.65 0.23 0.00 -1.71 0.00 0.00 66.02 62.17 2wr2 s SER 16 CO 0.30 -0.84 1.15 0.35 1.20 0.00 0.00 173.24 175.40 2wr2 n THR 17 N 1.07 1.57 -1.89 6.45 -2.24 -1.26 -4.84 114.28 113.14 2wr2 n THR 17 Ca 0.03 -1.68 -0.41 0.00 -2.27 0.00 0.00 64.05 59.71 2wr2 n THR 17 Cb 0.39 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2wr2 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wr2 s GLU 18 N -2.08 4.19 0.13 -0.78 2.56 -1.26 -4.91 118.70 116.55 2wr2 s GLU 18 Ca 0.22 2.44 0.11 0.00 0.00 0.00 0.00 54.97 57.74 2wr2 s GLU 18 Cb 0.18 -3.07 -0.04 0.00 2.00 0.00 0.00 34.13 33.20 2wr2 s GLU 18 CO 0.04 -0.54 -0.27 0.15 -0.56 0.00 0.00 175.26 174.08 2wr2 s LYS 19 N -0.25 1.43 0.09 4.30 1.02 -1.26 -1.11 119.74 123.96 2wr2 s LYS 19 Ca 0.62 -1.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 2wr2 s LYS 19 Cb -0.45 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2wr2 s LYS 19 CO 0.44 0.45 -0.01 0.14 -0.92 0.00 0.00 175.35 175.46 2wr2 s VAL 20 N -1.05 0.29 0.04 3.17 -7.23 -0.39 -4.91 120.40 110.32 2wr2 s VAL 20 Ca 0.14 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2wr2 s VAL 20 Cb -0.10 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2wr2 s VAL 20 CO 0.06 -0.77 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.26 2wr2 s ASP 21 N -3.00 4.97 0.47 4.85 1.01 -1.26 -0.60 116.67 123.10 2wr2 s ASP 21 Ca 0.15 -0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.32 2wr2 s ASP 21 Cb 0.07 -1.22 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 2wr2 s ASP 21 CO -0.04 0.23 0.02 0.42 0.21 0.00 0.00 175.17 176.01 2wr2 s THR 22 N -1.16 1.34 0.41 -1.27 -4.23 0.10 -4.51 115.64 106.32 2wr2 s THR 22 Ca 0.22 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2wr2 s THR 22 Cb -0.11 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.55 2wr2 s THR 22 CO 0.13 0.00 2.04 0.40 -0.54 0.00 0.00 174.62 176.65 2wr2 h ILE 23 N 1.53 1.11 0.00 2.99 1.08 -1.82 -3.17 117.51 119.23 2wr2 h ILE 23 Ca -0.43 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2wr2 h ILE 23 Cb 1.29 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2wr2 h ILE 23 CO 0.74 0.12 -1.77 0.18 -0.69 0.00 0.00 178.15 176.73 2wr2 n LEU 24 N -4.45 0.20 -3.92 1.44 4.77 -1.26 -5.00 117.00 108.78 2wr2 n LEU 24 Ca 0.03 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2wr2 n LEU 24 Cb 0.09 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2wr2 n LEU 24 CO 0.36 -0.04 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.48 2wr2 s GLU 25 N -3.48 0.33 0.10 3.23 2.02 -1.20 -5.16 118.70 114.54 2wr2 s GLU 25 Ca -0.06 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2wr2 s GLU 25 Cb 0.13 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 2wr2 s GLU 25 CO 0.88 -0.06 -0.10 1.03 0.02 0.00 0.00 175.26 177.03 2wr2 s ARG 26 N -1.19 2.16 -1.27 1.61 1.81 -1.26 0.01 118.95 120.82 2wr2 s ARG 26 Ca -0.13 -1.00 -0.04 0.00 -1.72 0.00 0.00 55.73 52.83 2wr2 s ARG 26 Cb -0.08 -2.32 -0.01 0.00 -0.45 0.00 0.00 34.95 32.10 2wr2 s ARG 26 CO 0.00 0.51 0.68 0.09 -0.68 0.00 0.00 175.30 175.90 2wr2 n ASN 27 N 0.74 -2.15 -4.70 0.23 5.03 -1.06 -4.96 115.26 108.39 2wr2 n ASN 27 Ca -0.13 -0.88 -0.40 0.00 0.87 0.00 0.00 54.58 54.03 2wr2 n ASN 27 Cb 0.52 -3.82 -0.04 0.00 -1.02 0.00 0.00 39.78 35.42 2wr2 n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wr2 s VAL 28 N -3.67 4.99 -0.11 2.41 1.01 0.23 -4.80 120.40 120.46 2wr2 s VAL 28 Ca 0.12 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2wr2 s VAL 28 Cb -0.04 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2wr2 s VAL 28 CO 0.83 0.18 0.98 -0.89 0.00 0.00 0.00 175.10 176.20 2wr2 s THR 29 N 1.19 4.80 0.29 3.92 2.01 -1.26 -1.26 115.64 125.33 2wr2 s THR 29 Ca 0.39 1.99 0.11 0.00 0.31 0.00 0.00 61.69 64.49 2wr2 s THR 29 Cb -0.18 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2wr2 s THR 29 CO 0.18 0.01 -0.10 0.68 -0.69 0.00 0.00 174.62 174.70 2wr2 s VAL 30 N 2.01 2.83 0.19 3.82 -7.23 -0.27 -0.42 120.40 121.34 2wr2 s VAL 30 Ca 0.47 -2.17 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2wr2 s VAL 30 Cb -0.18 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2wr2 s VAL 30 CO 0.17 -0.36 1.52 0.71 -0.31 0.00 0.00 175.10 176.84 2wr2 h THR 31 N 2.06 1.31 -3.33 5.32 1.35 -1.40 -3.39 112.91 114.84 2wr2 h THR 31 Ca -0.42 -1.73 -0.12 0.00 -0.55 0.00 0.00 66.41 63.59 2wr2 h THR 31 Cb 1.25 1.70 -0.19 0.00 -1.73 0.00 0.00 68.15 69.19 2wr2 h THR 31 CO 0.61 0.54 -0.35 -1.00 -0.25 0.00 0.00 175.52 175.08 2wr2 s HIS 32 N -4.07 -0.05 0.08 4.73 3.76 -1.26 -4.70 115.29 113.77 2wr2 s HIS 32 Ca -0.08 -0.03 -0.17 0.00 -0.15 0.00 0.00 55.06 54.63 2wr2 s HIS 32 Cb 0.11 0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.87 2wr2 s HIS 32 CO 0.84 -0.41 0.40 0.00 -0.85 0.00 0.00 174.74 174.73 2wr2 s ALA 33 N -1.95 -0.96 -0.08 -1.40 0.00 -1.26 -1.95 121.76 114.16 2wr2 s ALA 33 Ca -0.10 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2wr2 s ALA 33 Cb -0.04 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2wr2 s ALA 33 CO -0.00 -0.53 -0.15 0.21 0.00 0.00 0.00 175.76 175.29 2wr2 s LYS 34 N -3.01 2.08 -0.16 0.00 2.20 0.53 -4.88 119.74 116.50 2wr2 s LYS 34 Ca -0.02 -0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.80 2wr2 s LYS 34 Cb 0.00 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2wr2 s LYS 34 CO -0.06 0.04 0.83 0.34 -0.36 0.00 0.00 175.35 176.14 2wr2 s ASP 35 N 0.66 6.96 -0.03 1.43 3.68 -1.26 -0.23 116.67 127.88 2wr2 s ASP 35 Ca -0.14 1.18 0.20 0.00 2.13 0.00 0.00 52.55 55.92 2wr2 s ASP 35 Cb -0.16 -2.45 0.61 0.00 -1.45 0.00 0.00 42.92 39.47 2wr2 s ASP 35 CO 0.04 -0.38 1.52 2.30 0.13 0.00 0.00 175.17 178.77 2wr2 n ILE 36 N 4.68 1.24 -3.88 4.11 -5.35 -0.53 -4.89 119.36 114.73 2wr2 n ILE 36 Ca 0.04 -1.07 -0.35 0.00 -0.27 0.00 0.00 62.75 61.10 2wr2 n ILE 36 Cb 0.49 0.39 -0.14 0.00 -1.74 0.00 0.00 39.64 38.64 2wr2 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr2 s LEU 37 N -1.25 3.68 -0.19 7.28 2.96 -1.25 -3.61 118.68 126.30 2wr2 s LEU 37 Ca 0.46 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.06 2wr2 s LEU 37 Cb 0.26 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 2wr2 s LEU 37 CO 0.28 -0.21 1.13 -0.70 -1.32 0.00 0.00 176.35 175.53 2wr2 s GLU 38 N 1.34 4.27 -0.00 1.98 2.56 -0.29 -4.90 118.70 123.66 2wr2 s GLU 38 Ca -0.02 1.50 0.03 0.00 0.00 0.00 0.00 54.97 56.48 2wr2 s GLU 38 Cb -0.18 -3.68 -0.03 0.00 2.00 0.00 0.00 34.13 32.24 2wr2 s GLU 38 CO -0.01 -0.63 0.12 1.63 -0.56 0.00 0.00 175.26 175.81 2wr2 n LYS 39 N 6.26 5.97 -4.25 4.30 5.02 -1.26 -2.58 118.16 131.63 2wr2 n LYS 39 Ca 0.12 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 2wr2 n LYS 39 Cb 0.46 -0.64 -0.09 0.00 -0.02 0.00 0.00 35.03 34.74 2wr2 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr2 s THR 40 N -1.28 4.12 0.16 -0.18 -4.23 -1.26 -4.79 115.64 108.17 2wr2 s THR 40 Ca 0.01 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.89 2wr2 s THR 40 Cb 0.02 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2wr2 s THR 40 CO 0.12 0.32 -0.12 -1.38 -0.54 0.00 0.00 174.62 173.02 2wr2 s HIS 41 N -1.13 1.41 -1.38 3.99 -3.43 -1.26 -4.74 115.29 108.75 2wr2 s HIS 41 Ca 0.21 -0.66 0.30 0.00 -0.80 0.00 0.00 55.06 54.11 2wr2 s HIS 41 Cb -0.12 -0.70 1.47 0.00 -1.43 0.00 0.00 32.58 31.81 2wr2 s HIS 41 CO 0.12 0.17 2.03 0.27 -2.00 0.00 0.00 174.74 175.33 2wr2 n ASN 42 N -0.06 0.02 0.00 7.38 0.23 -0.86 -4.89 115.26 117.08 2wr2 n ASN 42 Ca -0.11 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 2wr2 n ASN 42 Cb 0.60 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2wr2 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 43 N 1.31 0.52 3.75 4.83 0.00 -1.26 -4.90 105.19 109.45 2wr2 n GLY 43 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2wr2 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr2 s LYS 44 N -0.36 2.83 -0.34 1.61 1.02 -1.26 -4.73 119.74 118.51 2wr2 s LYS 44 Ca 0.00 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.11 2wr2 s LYS 44 Cb 0.00 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2wr2 s LYS 44 CO 0.00 0.57 0.56 -1.17 -0.92 0.00 0.00 175.35 174.39 2wr2 s LEU 45 N -2.24 4.27 0.00 3.17 2.96 -1.26 -2.03 118.68 123.56 2wr2 s LEU 45 Ca 0.27 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2wr2 s LEU 45 Cb -0.12 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.92 2wr2 s LEU 45 CO 0.19 -0.49 0.16 0.00 -1.32 0.00 0.00 176.35 174.89 2wr2 s ARG 47 N -3.35 3.62 -0.29 0.00 0.52 -1.25 -4.66 118.95 113.54 2wr2 s ARG 47 Ca 0.12 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.55 2wr2 s ARG 47 Cb -0.01 -2.46 0.07 0.00 0.52 0.00 0.00 34.95 33.07 2wr2 s ARG 47 CO 0.08 -0.04 -0.06 -1.17 0.02 0.00 0.00 175.30 174.12 2wr2 s LEU 48 N -4.23 3.86 -1.36 2.53 2.96 -0.43 -1.99 118.68 120.03 2wr2 s LEU 48 Ca 0.47 -1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 2wr2 s LEU 48 Cb -0.10 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.03 2wr2 s LEU 48 CO 0.37 -0.25 1.11 -1.20 -1.32 0.00 0.00 176.35 175.06 2wr2 n SER 49 N 4.38 -5.22 0.00 3.68 7.64 -1.12 -2.27 113.62 120.71 2wr2 n SER 49 Ca -0.08 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2wr2 n SER 49 Cb 0.42 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 2wr2 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr2 n GLY 50 N -1.81 2.68 3.65 0.23 0.00 -1.26 -4.99 105.19 103.69 2wr2 n GLY 50 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2wr2 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr2 s ILE 51 N -1.02 5.06 0.88 -0.61 1.01 -0.96 -4.99 121.20 120.56 2wr2 s ILE 51 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.59 2wr2 s ILE 51 Cb 0.00 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.70 2wr2 s ILE 51 CO 0.00 0.13 1.10 -2.16 0.00 0.00 0.00 174.94 174.01 2wr2 s PRO 52 N 1.88 1.41 0.26 2.79 0.04 -1.26 -1.31 135.00 138.80 2wr2 s PRO 52 Ca 0.26 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 2wr2 s PRO 52 Cb -0.16 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2wr2 s PRO 52 CO 0.10 -2.10 0.61 -1.25 0.04 0.00 0.00 177.00 174.40 2wr2 s PRO 53 N -5.05 3.87 -0.08 0.56 0.05 -1.26 -1.41 135.00 131.68 2wr2 s PRO 53 Ca 0.63 0.41 -0.30 0.00 0.05 0.00 0.00 61.00 61.79 2wr2 s PRO 53 Cb -0.17 -2.57 -0.03 0.00 0.05 0.00 0.00 34.50 31.79 2wr2 s PRO 53 CO 0.56 0.26 1.23 -1.17 0.05 0.00 0.00 177.00 177.93 2wr2 s LEU 54 N -2.88 4.25 -0.50 -3.56 2.96 -0.63 -4.91 118.68 113.42 2wr2 s LEU 54 Ca 0.50 1.80 -0.16 0.00 -0.22 0.00 0.00 54.13 56.04 2wr2 s LEU 54 Cb -0.11 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.11 2wr2 s LEU 54 CO 0.20 -0.64 0.47 -1.61 -1.32 0.00 0.00 176.35 173.44 2wr2 s GLU 55 N 2.60 3.01 0.15 1.98 2.02 -1.26 -1.11 118.70 126.08 2wr2 s GLU 55 Ca 0.56 -1.34 0.22 0.00 0.02 0.00 0.00 54.97 54.43 2wr2 s GLU 55 Cb -0.24 -4.16 -0.07 0.00 0.10 0.00 0.00 34.13 29.76 2wr2 s GLU 55 CO 0.20 -1.14 0.93 1.28 0.02 0.00 0.00 175.26 176.55 2wr2 n LEU 56 N 5.43 0.74 0.00 1.80 4.77 -0.51 -4.73 117.00 124.50 2wr2 n LEU 56 Ca -0.12 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wr2 n LEU 56 Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wr2 n LEU 56 CO 0.50 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2wr2 n GLY 57 N 1.23 2.23 0.43 -0.72 0.00 -1.25 -1.42 105.19 105.69 2wr2 n GLY 57 Ca -0.02 0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.51 2wr2 n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wr2 n ASP 58 N 8.88 1.41 -4.90 1.61 8.00 -1.26 -2.54 116.55 127.76 2wr2 n ASP 58 Ca 0.00 -1.34 -0.33 0.00 0.71 0.00 0.00 54.79 53.82 2wr2 n ASP 58 Cb 0.00 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 2wr2 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wr2 s SER 60 N -1.98 5.85 0.25 0.00 1.04 -0.43 -4.83 113.70 113.60 2wr2 s SER 60 Ca 0.30 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.13 2wr2 s SER 60 Cb -0.13 -1.66 0.37 0.00 0.10 0.00 0.00 66.02 64.70 2wr2 s SER 60 CO 0.20 -0.74 1.85 0.40 0.98 0.00 0.00 173.24 175.92 2wr2 h ILE 61 N 0.28 1.01 -0.47 -1.02 2.04 -1.99 0.92 117.51 118.28 2wr2 h ILE 61 Ca -0.46 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2wr2 h ILE 61 Cb 1.25 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2wr2 h ILE 61 CO 0.59 0.18 0.20 0.00 0.00 0.00 0.00 178.15 179.11 2wr2 h ALA 62 N 1.43 0.61 -0.43 1.87 0.00 -1.94 -0.44 119.26 120.36 2wr2 h ALA 62 Ca 0.40 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2wr2 h ALA 62 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2wr2 h ALA 62 CO -0.20 0.21 0.21 0.78 0.00 0.00 0.00 179.25 180.25 2wr2 h GLY 63 N 0.62 0.59 0.93 0.00 0.00 -1.34 -0.60 103.07 103.27 2wr2 h GLY 63 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wr2 h GLY 63 CO -0.02 0.09 0.05 -0.25 0.00 0.00 0.00 176.54 176.42 2wr2 h TRP 64 N 0.42 0.13 -0.19 5.60 7.01 -0.70 0.16 115.95 128.38 2wr2 h TRP 64 Ca 0.19 -0.00 -0.17 0.00 2.11 0.00 0.00 58.89 61.01 2wr2 h TRP 64 Cb 0.11 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2wr2 h TRP 64 CO -0.11 0.16 -0.59 -0.07 -2.79 0.00 0.00 178.44 175.04 2wr2 h LEU 65 N 0.06 0.69 -0.51 0.65 3.38 -0.81 -2.60 115.31 116.16 2wr2 h LEU 65 Ca 0.03 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wr2 h LEU 65 Cb 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wr2 h LEU 65 CO -0.01 1.12 0.00 -0.07 0.09 0.00 0.00 178.44 179.58 2wr2 h LEU 66 N 0.46 0.00 -2.02 1.67 3.38 -1.16 -3.44 115.31 114.19 2wr2 h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr2 h LEU 66 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2wr2 h LEU 66 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2wr2 n GLY 67 N 0.72 0.46 3.68 0.83 0.00 -0.67 -1.95 105.19 108.26 2wr2 n GLY 67 Ca 0.03 -0.47 -0.49 0.00 0.00 0.00 0.00 46.02 45.09 2wr2 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr2 n ASN 68 N -1.01 3.28 -0.13 1.61 2.85 0.49 -0.85 115.26 121.50 2wr2 n ASN 68 Ca 0.00 1.00 0.27 0.00 -0.11 0.00 0.00 54.58 55.75 2wr2 n ASN 68 Cb 0.50 -1.36 0.64 0.00 1.24 0.00 0.00 39.78 40.79 2wr2 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr2 h PRO 69 N 8.38 0.00 -0.01 1.20 0.11 -1.89 0.33 132.00 140.12 2wr2 h PRO 69 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wr2 h PRO 69 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wr2 h PRO 69 CO 0.93 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.81 2wr2 n GLU 70 N -3.61 1.06 -0.18 1.05 4.07 -1.26 -2.82 120.64 118.94 2wr2 n GLU 70 Ca 0.18 -0.08 0.05 0.00 -0.06 0.00 0.00 57.16 57.25 2wr2 n GLU 70 Cb 1.13 -1.44 0.14 0.00 -0.06 0.00 0.00 31.44 31.22 2wr2 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wr2 h ASP 72 N 1.31 -0.06 -0.40 0.00 3.32 -1.64 -2.40 116.42 116.54 2wr2 h ASP 72 Ca 0.00 0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.94 2wr2 h ASP 72 Cb 0.86 0.15 -0.12 0.00 0.22 0.00 0.00 39.33 40.44 2wr2 h ASP 72 CO 0.05 -0.00 0.27 0.54 -1.72 0.00 0.00 179.24 178.37 2wr2 n ARG 73 N -5.15 1.51 -2.25 3.56 1.74 -1.26 -4.89 116.66 109.93 2wr2 n ARG 73 Ca 0.06 -1.22 -0.41 0.00 -0.77 0.00 0.00 57.85 55.51 2wr2 n ARG 73 Cb 0.26 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2wr2 n ARG 73 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wr2 s LEU 74 N -1.34 4.42 0.06 0.55 2.96 -0.91 -4.95 118.68 119.47 2wr2 s LEU 74 Ca 0.23 2.36 -0.20 0.00 -0.22 0.00 0.00 54.13 56.29 2wr2 s LEU 74 Cb 0.19 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 43.16 2wr2 s LEU 74 CO 0.04 -0.51 1.45 -0.07 -1.32 0.00 0.00 176.35 175.95 2wr2 h LEU 75 N 5.48 0.33 -2.35 -0.68 4.07 -1.90 -3.48 115.31 116.78 2wr2 h LEU 75 Ca -0.44 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.16 2wr2 h LEU 75 Cb 1.21 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2wr2 h LEU 75 CO 0.77 0.61 -0.26 -0.24 -1.08 0.00 0.00 178.44 178.24 2wr2 n SER 76 N -4.67 -7.64 -4.48 -0.43 2.88 -1.26 -4.99 113.62 93.02 2wr2 n SER 76 Ca -0.05 0.25 -0.30 0.00 -1.33 0.00 0.00 58.87 57.44 2wr2 n SER 76 Cb 0.26 -5.18 0.22 0.00 -0.75 0.00 0.00 64.21 58.75 2wr2 n SER 76 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wr2 n VAL 77 N -0.96 0.00 0.57 2.46 0.24 -1.26 -4.94 118.33 114.44 2wr2 n VAL 77 Ca 0.06 -0.31 0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2wr2 n VAL 77 Cb 0.47 -0.91 0.18 0.00 -1.47 0.00 0.00 33.84 32.10 2wr2 n VAL 77 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2wr2 n PRO 78 N -4.14 0.29 -3.71 7.34 -0.05 -1.26 -4.90 135.00 128.57 2wr2 n PRO 78 Ca 0.05 0.09 -0.12 0.00 -0.05 0.00 0.00 63.50 63.47 2wr2 n PRO 78 Cb 0.55 -1.69 -0.10 0.00 -0.05 0.00 0.00 33.50 32.21 2wr2 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2wr2 s GLU 79 N -3.16 0.45 0.01 0.54 2.12 -1.26 -1.09 118.70 116.31 2wr2 s GLU 79 Ca 0.06 0.70 -0.18 0.00 0.36 0.00 0.00 54.97 55.91 2wr2 s GLU 79 Cb 0.13 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.67 2wr2 s GLU 79 CO 0.72 -0.11 0.40 1.67 -0.54 0.00 0.00 175.26 177.40 2wr2 s TRP 80 N 0.83 -0.28 -0.19 5.30 -2.14 -1.05 -4.54 118.94 116.87 2wr2 s TRP 80 Ca -0.05 0.35 0.16 0.00 2.66 0.00 0.00 56.10 59.23 2wr2 s TRP 80 Cb -0.06 0.19 -0.23 0.00 -3.10 0.00 0.00 33.47 30.27 2wr2 s TRP 80 CO -0.06 -0.50 0.05 -1.13 -2.66 0.00 0.00 176.95 172.65 2wr2 n SER 81 N 0.86 0.35 -3.35 -2.66 3.41 -0.50 -2.24 113.62 109.49 2wr2 n SER 81 Ca -0.20 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 2wr2 n SER 81 Cb 0.58 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 2wr2 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr2 s TYR 82 N -2.47 0.38 -0.04 7.33 -0.85 -1.25 -4.64 117.35 115.81 2wr2 s TYR 82 Ca -0.11 -0.84 0.07 0.00 -0.52 0.00 0.00 57.07 55.67 2wr2 s TYR 82 Cb 0.06 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 2wr2 s TYR 82 CO 0.78 -1.30 -0.25 0.42 -1.52 0.00 0.00 175.55 173.68 2wr2 s ILE 83 N -3.07 2.01 -0.15 -3.49 1.01 -0.97 -1.60 121.20 114.93 2wr2 s ILE 83 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2wr2 s ILE 83 Cb -0.03 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2wr2 s ILE 83 CO 0.13 0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 174.83 2wr2 s VAL 84 N -0.37 3.11 0.14 2.92 1.01 -0.27 0.37 120.40 127.30 2wr2 s VAL 84 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2wr2 s VAL 84 Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2wr2 s VAL 84 CO 0.01 0.50 0.02 -0.70 0.00 0.00 0.00 175.10 174.93 2wr2 s GLU 85 N 0.65 0.97 0.48 2.72 2.12 -0.02 -1.42 118.70 124.19 2wr2 s GLU 85 Ca -0.06 -1.45 -0.01 0.00 0.36 0.00 0.00 54.97 53.80 2wr2 s GLU 85 Cb -0.15 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 2wr2 s GLU 85 CO 0.02 -0.17 0.72 0.15 -0.54 0.00 0.00 175.26 175.44 2wr2 s LYS 86 N -3.96 3.10 0.13 4.30 1.02 -1.05 -1.20 119.74 122.07 2wr2 s LYS 86 Ca 0.21 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 2wr2 s LYS 86 Cb 0.07 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2wr2 s LYS 86 CO 0.01 -0.33 1.58 0.93 -0.92 0.00 0.00 175.35 176.62 2wr2 h GLU 87 N 0.28 -0.48 -3.00 1.68 4.39 -1.91 -3.30 114.58 112.25 2wr2 h GLU 87 Ca -0.46 0.03 -0.62 0.00 0.34 0.00 0.00 59.36 58.65 2wr2 h GLU 87 Cb 1.25 0.11 -0.41 0.00 -0.10 0.00 0.00 28.75 29.60 2wr2 h GLU 87 CO 0.59 -0.32 -0.68 -0.80 -1.16 0.00 0.00 179.01 176.64 2wr2 s ASN 88 N -4.87 3.98 0.15 1.42 0.01 -1.26 -5.08 114.94 109.28 2wr2 s ASN 88 Ca -0.15 -3.37 -0.32 0.00 -0.71 0.00 0.00 52.86 48.30 2wr2 s ASN 88 Cb 0.09 -1.33 -0.12 0.00 0.41 0.00 0.00 41.25 40.30 2wr2 s ASN 88 CO 0.64 -0.15 1.75 -0.81 -1.51 0.00 0.00 177.10 177.01 2wr2 n PRO 89 N 2.58 2.61 0.17 -0.60 -0.04 -1.24 -4.90 135.00 133.57 2wr2 n PRO 89 Ca 0.17 0.94 0.12 0.00 -0.04 0.00 0.00 63.50 64.69 2wr2 n PRO 89 Cb 0.36 -2.79 0.09 0.00 -0.04 0.00 0.00 33.50 31.12 2wr2 n PRO 89 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2wr2 h VAL 90 N 4.20 0.00 -3.37 0.52 3.04 -1.69 -3.43 116.25 115.52 2wr2 h VAL 90 Ca -0.45 -1.00 -0.74 0.00 -1.01 0.00 0.00 66.70 63.50 2wr2 h VAL 90 Cb 1.23 1.76 -0.29 0.00 -2.01 0.00 0.00 31.29 31.98 2wr2 h VAL 90 CO 0.94 0.00 -0.28 0.20 -1.01 0.00 0.00 177.57 177.42 2wr2 s ASN 91 N -5.80 5.90 0.00 3.17 0.02 -0.26 -4.95 114.94 113.02 2wr2 s ASN 91 Ca 0.03 -2.12 0.00 0.00 -1.02 0.00 0.00 52.86 49.75 2wr2 s ASN 91 Cb 0.07 -2.06 0.00 0.00 0.02 0.00 0.00 41.25 39.28 2wr2 s ASN 91 CO 0.73 -0.67 0.00 0.61 0.02 0.00 0.00 177.10 177.79 2wr2 n GLY 92 N 4.66 2.19 3.56 0.66 0.00 -1.26 -1.31 105.19 113.68 2wr2 n GLY 92 Ca -0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2wr2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr2 s LEU 93 N 0.00 3.36 0.10 0.99 1.02 -1.26 -4.28 118.68 118.62 2wr2 s LEU 93 Ca 0.00 -1.02 -0.20 0.00 0.02 0.00 0.00 54.13 52.93 2wr2 s LEU 93 Cb 0.00 -2.56 -0.08 0.00 0.02 0.00 0.00 46.19 43.56 2wr2 s LEU 93 CO 0.00 -1.82 1.65 0.00 0.02 0.00 0.00 176.35 176.20 2wr2 s TYR 95 N -5.65 3.49 0.59 0.00 5.04 -1.26 -4.67 117.35 114.88 2wr2 s TYR 95 Ca -0.13 1.55 -0.19 0.00 -2.44 0.00 0.00 57.07 55.85 2wr2 s TYR 95 Cb 0.07 -3.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 2wr2 s TYR 95 CO 0.71 -0.25 1.19 -1.25 -1.34 0.00 0.00 175.55 174.61 2wr2 s PRO 96 N 2.15 3.03 0.00 4.97 0.04 -1.26 -4.75 135.00 139.18 2wr2 s PRO 96 Ca 0.47 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2wr2 s PRO 96 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2wr2 s PRO 96 CO 0.16 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.46 2wr2 n GLY 97 N 0.44 -0.52 3.30 0.56 0.00 -1.26 -1.22 105.19 106.50 2wr2 n GLY 97 Ca 0.13 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 2wr2 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr2 s SER 98 N -4.00 0.97 -0.23 1.61 1.04 -0.54 -4.92 113.70 107.62 2wr2 s SER 98 Ca 0.00 -1.56 -0.04 0.00 0.48 0.00 0.00 55.95 54.83 2wr2 s SER 98 Cb 0.00 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.72 2wr2 s SER 98 CO 0.00 -1.02 0.17 0.12 0.98 0.00 0.00 173.24 173.49 2wr2 s PHE 99 N -3.66 -0.01 0.28 5.02 5.36 -1.26 -1.09 117.98 122.62 2wr2 s PHE 99 Ca 0.38 -0.31 -0.30 0.00 -0.96 0.00 0.00 56.93 55.74 2wr2 s PHE 99 Cb 0.03 -0.63 -0.10 0.00 -0.34 0.00 0.00 43.02 41.98 2wr2 s PHE 99 CO 0.21 -0.70 1.47 -0.80 -1.46 0.00 0.00 175.22 173.94 2wr2 s ASN 100 N 2.21 6.57 -1.47 6.13 0.01 -0.32 -3.07 114.94 125.00 2wr2 s ASN 100 Ca 0.07 2.78 -0.10 0.00 -0.71 0.00 0.00 52.86 54.89 2wr2 s ASN 100 Cb -0.16 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 38.92 2wr2 s ASN 100 CO -0.22 -0.75 0.88 0.47 -1.51 0.00 0.00 177.10 175.97 2wr2 n ASP 101 N 1.93 -5.26 -0.20 -1.22 8.00 -1.26 -4.67 116.55 113.87 2wr2 n ASP 101 Ca 0.06 -0.57 -0.05 0.00 0.71 0.00 0.00 54.79 54.93 2wr2 n ASP 101 Cb 0.40 -4.21 0.05 0.00 -0.02 0.00 0.00 41.12 37.33 2wr2 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr2 h TYR 102 N -1.91 0.68 -0.37 1.24 3.20 -1.95 -2.39 116.97 115.47 2wr2 h TYR 102 Ca -0.54 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.21 2wr2 h TYR 102 Cb 1.36 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2wr2 h TYR 102 CO 0.56 0.40 -0.29 0.93 -1.64 0.00 0.00 178.16 178.12 2wr2 h GLU 103 N 0.72 0.79 -0.63 1.82 3.07 -1.89 -1.11 114.58 117.35 2wr2 h GLU 103 Ca 0.22 -0.36 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2wr2 h GLU 103 Cb -0.01 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 2wr2 h GLU 103 CO -0.08 0.98 0.29 0.93 -1.40 0.00 0.00 179.01 179.73 2wr2 h GLU 104 N 0.67 0.90 -0.08 2.33 4.39 -1.91 -1.69 114.58 119.19 2wr2 h GLU 104 Ca 0.08 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2wr2 h GLU 104 Cb 0.83 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2wr2 h GLU 104 CO 0.07 0.71 0.03 1.25 -1.16 0.00 0.00 179.01 179.91 2wr2 h LEU 105 N 0.90 0.11 0.17 1.33 5.85 -0.79 -2.58 115.31 120.30 2wr2 h LEU 105 Ca 0.22 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wr2 h LEU 105 Cb 0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2wr2 h LEU 105 CO -0.03 0.25 -0.22 0.11 -0.34 0.00 0.00 178.44 178.22 2wr2 h LYS 106 N -0.04 -0.43 -0.52 1.25 1.57 -1.05 -1.36 116.57 115.98 2wr2 h LYS 106 Ca 0.03 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 2wr2 h LYS 106 Cb 0.18 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2wr2 h LYS 106 CO -0.00 -0.28 0.46 1.25 -0.57 0.00 0.00 179.45 180.30 2wr2 h HIS 107 N -0.44 0.00 0.11 -1.35 2.76 -1.30 -2.28 115.15 112.65 2wr2 h HIS 107 Ca 0.01 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.89 2wr2 h HIS 107 Cb 0.43 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.42 2wr2 h HIS 107 CO -0.18 0.00 -1.19 1.25 -1.30 0.00 0.00 177.93 176.51 2wr2 h LEU 108 N 0.00 0.87 -3.86 0.26 5.85 -0.84 -3.33 115.31 114.27 2wr2 h LEU 108 Ca 0.25 -0.82 -0.54 0.00 0.84 0.00 0.00 57.88 57.61 2wr2 h LEU 108 Cb 1.17 -0.27 -0.27 0.00 0.37 0.00 0.00 40.66 41.65 2wr2 h LEU 108 CO -0.00 1.59 0.69 2.30 -0.34 0.00 0.00 178.44 182.68 2wr2 n ILE 109 N -3.83 3.23 0.04 4.05 -6.64 -0.86 -4.46 119.36 110.90 2wr2 n ILE 109 Ca -0.13 -2.19 -0.01 0.00 -1.77 0.00 0.00 62.75 58.64 2wr2 n ILE 109 Cb 0.96 -0.84 -0.08 0.00 -1.44 0.00 0.00 39.64 38.25 2wr2 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2wr2 h THR 110 N 0.95 0.68 -2.32 7.28 1.03 -1.66 -3.44 112.91 115.43 2wr2 h THR 110 Ca 0.57 -2.22 -0.27 0.00 -0.01 0.00 0.00 66.41 64.48 2wr2 h THR 110 Cb 1.81 2.20 -0.34 0.00 -1.07 0.00 0.00 68.15 70.75 2wr2 h THR 110 CO 1.22 0.39 -0.59 -0.55 -0.01 0.00 0.00 175.52 175.98 2wr2 s SER 111 N -5.99 1.09 0.21 0.00 0.15 -1.26 -3.95 113.70 103.95 2wr2 s SER 111 Ca -0.02 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.57 2wr2 s SER 111 Cb 0.08 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2wr2 s SER 111 CO 0.80 -0.32 -0.14 -0.69 1.20 0.00 0.00 173.24 174.09 2wr2 s VAL 112 N 2.39 1.74 -0.03 4.45 1.01 -0.95 -1.97 120.40 127.04 2wr2 s VAL 112 Ca 0.09 -2.21 -0.00 0.00 0.00 0.00 0.00 61.98 59.86 2wr2 s VAL 112 Cb -0.16 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 2wr2 s VAL 112 CO -0.15 -0.57 -0.00 0.74 0.00 0.00 0.00 175.10 175.12 2wr2 h THR 113 N 2.53 0.00 -1.75 3.92 2.02 -1.28 -2.78 112.91 115.57 2wr2 h THR 113 Ca -0.38 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2wr2 h THR 113 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2wr2 h THR 113 CO 0.62 0.00 0.00 1.57 0.37 0.00 0.00 175.52 178.08 2wr2 n HIS 114 N -2.77 0.00 -3.59 3.16 -0.00 -0.25 -4.24 115.22 107.54 2wr2 n HIS 114 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2wr2 n HIS 114 Cb 0.00 -0.88 -0.11 0.00 -0.00 0.00 0.00 29.99 29.01 2wr2 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr2 s PHE 115 N -0.41 -0.59 -0.04 1.57 5.36 -0.96 -3.08 117.98 119.83 2wr2 s PHE 115 Ca 0.00 1.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.98 2wr2 s PHE 115 Cb 0.00 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 2wr2 s PHE 115 CO 0.00 -0.48 0.06 -2.00 -1.46 0.00 0.00 175.22 171.34 2wr2 s GLU 116 N 2.49 -0.07 0.60 10.12 2.12 -1.11 -4.82 118.70 128.02 2wr2 s GLU 116 Ca 0.03 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 55.54 2wr2 s GLU 116 Cb -0.13 -0.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.74 2wr2 s GLU 116 CO -0.11 -0.32 1.28 0.21 -0.54 0.00 0.00 175.26 175.78 2wr2 s LYS 117 N 2.10 2.84 -0.06 4.30 2.20 -1.26 -1.35 119.74 128.51 2wr2 s LYS 117 Ca 0.04 2.02 -0.03 0.00 -0.36 0.00 0.00 55.97 57.65 2wr2 s LYS 117 Cb -0.12 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.26 2wr2 s LYS 117 CO -0.03 -1.36 0.14 0.08 -0.36 0.00 0.00 175.35 173.81 2wr2 s VAL 118 N -1.43 -0.10 -1.31 4.02 1.01 -0.39 -4.89 120.40 117.32 2wr2 s VAL 118 Ca 0.78 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.81 2wr2 s VAL 118 Cb -0.36 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 35.84 2wr2 s VAL 118 CO 0.39 0.09 1.82 1.17 0.00 0.00 0.00 175.10 178.57 2wr2 n LYS 119 N 4.47 3.02 0.15 2.72 4.81 -1.26 -0.78 118.16 131.29 2wr2 n LYS 119 Ca -0.22 -3.12 0.01 0.00 -0.87 0.00 0.00 58.31 54.11 2wr2 n LYS 119 Cb 0.51 -3.48 0.23 0.00 0.02 0.00 0.00 35.03 32.30 2wr2 n LYS 119 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 2wr2 h ILE 120 N 5.41 1.25 -1.96 3.15 3.07 -1.53 -3.38 117.51 123.52 2wr2 h ILE 120 Ca 0.45 -1.91 -0.53 0.00 1.55 0.00 0.00 64.86 64.42 2wr2 h ILE 120 Cb 0.84 2.06 -0.36 0.00 -0.27 0.00 0.00 36.82 39.10 2wr2 h ILE 120 CO 1.50 0.52 -0.98 0.18 -1.05 0.00 0.00 178.15 178.32 2wr2 n LEU 121 N -3.72 -0.49 -4.72 0.16 4.77 -0.84 -4.87 117.00 107.28 2wr2 n LEU 121 Ca -0.01 -4.38 -0.63 0.00 -0.03 0.00 0.00 56.01 50.97 2wr2 n LEU 121 Cb 0.58 0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 42.20 2wr2 n LEU 121 CO 0.40 1.97 1.22 -2.65 -1.33 0.00 0.00 177.39 177.00 2wr2 n PRO 122 N 2.08 0.57 -0.25 3.23 -0.02 -1.26 -4.48 135.00 134.87 2wr2 n PRO 122 Ca 0.24 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 2wr2 n PRO 122 Cb 0.52 -1.80 0.11 0.00 -0.02 0.00 0.00 33.50 32.31 2wr2 n PRO 122 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2wr2 n ARG 123 N 4.58 -0.06 0.31 -0.52 0.63 -1.26 -1.17 116.66 119.17 2wr2 n ARG 123 Ca 0.28 1.07 0.20 0.00 -0.92 0.00 0.00 57.85 58.48 2wr2 n ARG 123 Cb 0.04 -1.61 1.00 0.00 0.45 0.00 0.00 32.46 32.34 2wr2 n ARG 123 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2wr2 h ASP 124 N 0.00 0.00 -0.02 6.15 3.04 -2.01 -2.96 116.42 120.62 2wr2 h ASP 124 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 2wr2 h ASP 124 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 2wr2 h ASP 124 CO -0.70 0.01 0.00 0.00 -2.04 0.00 0.00 179.24 176.51 2wr2 n GLN 125 N -3.19 1.75 -1.32 4.15 6.02 -0.32 -4.06 117.38 120.41 2wr2 n GLN 125 Ca -0.02 -1.09 -0.38 0.00 -0.01 0.00 0.00 57.00 55.50 2wr2 n GLN 125 Cb 0.16 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 2wr2 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr2 n TRP 126 N 0.32 2.36 0.30 1.08 7.02 -1.12 -4.73 117.44 122.67 2wr2 n TRP 126 Ca 0.18 -3.05 0.16 0.00 -1.02 0.00 0.00 57.50 53.77 2wr2 n TRP 126 Cb 0.38 -2.46 0.93 0.00 -2.42 0.00 0.00 31.31 27.75 2wr2 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr2 h THR 127 N 2.96 0.43 -0.64 -0.99 1.35 -1.87 -2.08 112.91 112.08 2wr2 h THR 127 Ca 0.86 -0.11 -0.26 0.00 -0.55 0.00 0.00 66.41 66.35 2wr2 h THR 127 Cb 0.31 1.07 -0.15 0.00 -1.73 0.00 0.00 68.15 67.65 2wr2 h THR 127 CO 1.74 0.02 0.24 0.00 -0.25 0.00 0.00 175.52 177.27 2wr2 n GLN 128 N -3.66 2.70 -3.88 4.72 1.13 -1.26 -4.93 117.38 112.20 2wr2 n GLN 128 Ca -0.03 -3.07 -0.10 0.00 -1.94 0.00 0.00 57.00 51.86 2wr2 n GLN 128 Cb 0.11 -2.05 -0.09 0.00 0.11 0.00 0.00 30.24 28.32 2wr2 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2wr2 s HIS 129 N -3.13 0.08 0.31 1.08 3.76 -0.78 -4.45 115.29 112.17 2wr2 s HIS 129 Ca 0.51 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.87 2wr2 s HIS 129 Cb 0.43 -0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.96 2wr2 s HIS 129 CO 0.08 -0.36 1.01 0.99 -0.85 0.00 0.00 174.74 175.62 2wr2 s THR 130 N -2.12 3.86 0.00 1.30 2.01 0.15 -4.83 115.64 116.01 2wr2 s THR 130 Ca -0.09 1.66 0.00 0.00 0.31 0.00 0.00 61.69 63.58 2wr2 s THR 130 Cb -0.04 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2wr2 s THR 130 CO -0.02 0.24 0.13 0.41 -0.69 0.00 0.00 174.62 174.69 2wr2 n THR 131 N 0.77 0.00 -0.35 -0.82 -1.04 -1.26 -1.84 114.28 109.73 2wr2 n THR 131 Ca 0.01 -0.28 0.12 0.00 -2.04 0.00 0.00 64.05 61.86 2wr2 n THR 131 Cb 0.48 1.21 0.33 0.00 -1.82 0.00 0.00 70.33 70.52 2wr2 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr2 n THR 132 N -0.30 1.04 -1.63 12.58 -2.24 -1.26 -4.90 114.28 117.58 2wr2 n THR 132 Ca 0.00 -1.00 -0.49 0.00 -2.27 0.00 0.00 64.05 60.30 2wr2 n THR 132 Cb 0.05 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 2wr2 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 133 N 1.63 0.70 2.87 3.38 0.00 -1.26 -4.97 105.19 107.54 2wr2 n GLY 133 Ca 0.25 0.65 -0.17 0.00 0.00 0.00 0.00 46.02 46.74 2wr2 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr2 n GLY 134 N 2.77 2.98 3.06 -0.02 0.00 -1.26 -4.79 105.19 107.94 2wr2 n GLY 134 Ca 0.17 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 2wr2 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr2 s SER 135 N -3.07 0.10 0.09 1.61 0.15 0.26 -4.81 113.70 108.03 2wr2 s SER 135 Ca 0.35 -0.31 0.23 0.00 0.70 0.00 0.00 55.95 56.92 2wr2 s SER 135 Cb 0.02 0.17 0.92 0.00 -1.71 0.00 0.00 66.02 65.42 2wr2 s SER 135 CO 0.25 -0.35 1.72 -1.14 1.20 0.00 0.00 173.24 174.92 2wr2 n ARG 136 N 1.48 0.09 0.19 5.44 0.63 -1.26 -1.58 116.66 121.65 2wr2 n ARG 136 Ca -0.23 0.20 0.08 0.00 -0.92 0.00 0.00 57.85 56.98 2wr2 n ARG 136 Cb 0.55 -1.63 0.24 0.00 0.45 0.00 0.00 32.46 32.07 2wr2 n ARG 136 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wr2 h ALA 137 N 2.62 0.88 -0.60 5.13 0.00 -1.89 -3.01 119.26 122.39 2wr2 h ALA 137 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 2wr2 h ALA 137 Cb 0.45 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.98 2wr2 h ALA 137 CO 0.00 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.62 2wr2 n ALA 139 N -1.04 1.79 -3.78 0.00 0.00 -1.14 -3.62 120.51 112.72 2wr2 n ALA 139 Ca 0.43 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.94 2wr2 n ALA 139 Cb 1.07 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 18.02 2wr2 n ALA 139 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wr2 s VAL 140 N -1.12 0.65 0.00 0.00 1.01 -0.19 -4.82 120.40 115.92 2wr2 s VAL 140 Ca 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wr2 s VAL 140 Cb -0.52 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2wr2 s VAL 140 CO 0.62 -0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.82 2wr2 n LEU 141 N 5.01 0.00 -4.44 3.92 4.32 -1.26 -0.28 117.00 124.27 2wr2 n LEU 141 Ca -0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.57 2wr2 n LEU 141 Cb 0.47 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.14 2wr2 n LEU 141 CO 0.13 0.00 -0.43 1.51 -1.22 0.00 0.00 177.39 177.38 2wr2 s ASP 142 N -0.18 4.19 0.15 -1.43 -4.77 -1.26 -5.21 116.67 108.15 2wr2 s ASP 142 Ca 0.00 -0.23 0.01 0.00 -3.30 0.00 0.00 52.55 49.03 2wr2 s ASP 142 Cb 0.00 -1.36 -0.04 0.00 -1.09 0.00 0.00 42.92 40.43 2wr2 s ASP 142 CO 0.00 0.24 -0.00 0.20 0.70 0.00 0.00 175.17 176.31 2wr2 s ASN 143 N -0.11 1.01 0.05 2.11 -0.87 0.62 -5.11 114.94 112.64 2wr2 s ASN 143 Ca -0.01 -1.14 -0.35 0.00 -1.57 0.00 0.00 52.86 49.79 2wr2 s ASN 143 Cb -0.14 0.15 -0.14 0.00 -0.02 0.00 0.00 41.25 41.10 2wr2 s ASN 143 CO 0.03 -0.58 1.63 -2.65 -2.57 0.00 0.00 177.10 172.96 2wr2 n PRO 144 N -0.16 1.93 -0.25 -0.60 -0.02 -1.26 -1.03 135.00 133.60 2wr2 n PRO 144 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2wr2 n PRO 144 Cb 0.63 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2wr2 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr2 n SER 145 N 4.23 0.71 -3.75 2.55 2.88 -0.61 -4.61 113.62 115.01 2wr2 n SER 145 Ca 0.19 -0.12 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 2wr2 n SER 145 Cb 0.26 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 2wr2 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr2 s PHE 146 N -0.46 -0.17 0.03 0.66 5.36 -1.26 0.92 117.98 123.06 2wr2 s PHE 146 Ca 0.00 -0.15 -0.35 0.00 -0.96 0.00 0.00 56.93 55.46 2wr2 s PHE 146 Cb 0.00 0.64 -0.14 0.00 -0.34 0.00 0.00 43.02 43.18 2wr2 s PHE 146 CO 0.00 -0.88 1.61 1.19 -1.46 0.00 0.00 175.22 175.68 2wr2 n PHE 147 N -0.45 2.07 0.21 10.12 3.72 -1.26 -4.54 117.46 127.33 2wr2 n PHE 147 Ca -0.06 0.33 0.09 0.00 -0.05 0.00 0.00 57.45 57.76 2wr2 n PHE 147 Cb 0.61 -2.51 0.27 0.00 -0.94 0.00 0.00 39.48 36.91 2wr2 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr2 h ARG 148 N 6.51 0.00 -0.25 -1.08 3.08 -0.95 -2.83 114.38 118.86 2wr2 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr2 h ARG 148 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2wr2 h ARG 148 CO 0.88 0.20 0.00 0.09 -1.07 0.00 0.00 179.97 180.07 2wr2 n ASN 149 N -3.21 1.89 -4.21 7.04 3.02 -0.82 -4.93 115.26 114.05 2wr2 n ASN 149 Ca 0.02 -1.82 -0.13 0.00 -0.03 0.00 0.00 54.58 52.62 2wr2 n ASN 149 Cb 0.53 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 2wr2 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr2 s MET 150 N -1.68 0.94 0.00 3.52 -1.94 -1.07 -1.21 119.30 117.86 2wr2 s MET 150 Ca 0.31 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2wr2 s MET 150 Cb 0.16 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.50 2wr2 s MET 150 CO 0.24 0.06 0.00 0.28 -0.01 0.00 0.00 175.02 175.59 2wr2 n VAL 151 N 0.10 0.00 -3.65 -6.03 0.31 0.43 -4.79 118.33 104.70 2wr2 n VAL 151 Ca -0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 2wr2 n VAL 151 Cb 0.60 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.45 2wr2 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr2 s LEU 153 N 0.00 -0.78 0.22 7.52 1.02 -1.22 -0.47 118.68 124.97 2wr2 s LEU 153 Ca 0.00 1.38 0.02 0.00 0.02 0.00 0.00 54.13 55.55 2wr2 s LEU 153 Cb 0.00 2.14 -0.05 0.00 0.02 0.00 0.00 46.19 48.30 2wr2 s LEU 153 CO 0.00 -0.23 0.05 0.42 0.02 0.00 0.00 176.35 176.61 2wr2 s THR 154 N 1.70 0.65 0.38 5.49 -4.23 -0.77 -4.69 115.64 114.17 2wr2 s THR 154 Ca -0.09 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 2wr2 s THR 154 Cb -0.06 -2.40 -0.10 0.00 1.34 0.00 0.00 72.50 71.27 2wr2 s THR 154 CO -0.18 -0.22 1.41 -1.59 -0.54 0.00 0.00 174.62 173.50 2wr2 s LYS 155 N -3.97 4.10 -0.60 3.99 -2.85 -0.10 -0.67 119.74 119.64 2wr2 s LYS 155 Ca 0.31 2.41 -0.21 0.00 -1.00 0.00 0.00 55.97 57.48 2wr2 s LYS 155 Cb 0.07 -2.93 0.07 0.00 -2.06 0.00 0.00 37.83 32.99 2wr2 s LYS 155 CO 0.09 -0.48 0.83 0.21 0.10 0.00 0.00 175.35 176.10 2wr2 s LYS 156 N -2.08 3.12 2.14 1.78 2.20 -0.78 -4.16 119.74 121.96 2wr2 s LYS 156 Ca 0.53 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2wr2 s LYS 156 Cb -0.43 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 2wr2 s LYS 156 CO 0.58 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 2wr2 n GLY 157 N 5.26 1.79 0.22 5.54 0.00 -1.26 -2.85 105.19 113.89 2wr2 n GLY 157 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wr2 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr2 n SER 158 N 5.46 0.00 -3.98 1.61 3.41 -1.26 -5.07 113.62 113.78 2wr2 n SER 158 Ca 0.00 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.94 2wr2 n SER 158 Cb 0.00 -0.09 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 2wr2 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr2 s ASN 159 N -0.43 1.73 -0.78 4.04 0.01 -1.13 -4.95 114.94 113.42 2wr2 s ASN 159 Ca 0.00 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 2wr2 s ASN 159 Cb 0.00 -0.77 0.20 0.00 0.41 0.00 0.00 41.25 41.08 2wr2 s ASN 159 CO 0.00 -0.01 0.64 -0.47 -1.51 0.00 0.00 177.10 175.75 2wr2 s TYR 160 N 0.89 3.69 0.67 2.20 5.04 -1.26 -1.86 117.35 126.72 2wr2 s TYR 160 Ca -0.10 -2.93 -0.17 0.00 -2.44 0.00 0.00 57.07 51.43 2wr2 s TYR 160 Cb -0.15 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.97 2wr2 s TYR 160 CO 0.01 -0.76 1.25 -2.14 -1.34 0.00 0.00 175.55 172.56 2wr2 s PRO 161 N -0.88 2.45 0.15 4.97 0.02 -1.26 -4.89 135.00 135.56 2wr2 s PRO 161 Ca 0.23 1.91 -0.34 0.00 0.02 0.00 0.00 61.00 62.82 2wr2 s PRO 161 Cb -0.12 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.41 2wr2 s PRO 161 CO -0.09 -1.63 1.55 1.51 -0.33 0.00 0.00 177.00 178.01 2wr2 n ILE 162 N -2.17 0.01 -3.29 2.83 3.06 -1.26 -4.90 119.36 113.64 2wr2 n ILE 162 Ca 0.15 -0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.98 2wr2 n ILE 162 Cb 0.49 -1.46 -0.08 0.00 0.54 0.00 0.00 39.64 39.13 2wr2 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr2 s ALA 163 N 0.91 3.47 -0.26 1.51 0.00 0.16 -4.94 121.76 122.62 2wr2 s ALA 163 Ca 0.80 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 2wr2 s ALA 163 Cb -0.71 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 19.51 2wr2 s ALA 163 CO 0.39 -1.23 0.03 0.15 0.00 0.00 0.00 175.76 175.10 2wr2 s LYS 164 N 2.28 1.06 0.06 0.00 1.02 -1.26 -1.64 119.74 121.26 2wr2 s LYS 164 Ca 0.16 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2wr2 s LYS 164 Cb -0.16 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2wr2 s LYS 164 CO 0.13 -0.76 -0.05 1.03 -0.92 0.00 0.00 175.35 174.78 2wr2 s ARG 165 N 1.55 0.61 0.23 1.68 0.52 -1.13 -5.03 118.95 117.38 2wr2 s ARG 165 Ca 0.02 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2wr2 s ARG 165 Cb -0.18 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 2wr2 s ARG 165 CO -0.13 -0.04 0.14 -1.12 0.02 0.00 0.00 175.30 174.17 2wr2 s SER 166 N -2.42 0.57 -0.26 0.23 0.01 -1.26 -1.22 113.70 109.36 2wr2 s SER 166 Ca 0.01 -1.43 -0.12 0.00 1.31 0.00 0.00 55.95 55.72 2wr2 s SER 166 Cb 0.00 0.35 0.09 0.00 0.21 0.00 0.00 66.02 66.67 2wr2 s SER 166 CO -0.05 -0.84 0.61 -0.47 0.41 0.00 0.00 173.24 172.91 2wr2 s TYR 167 N -3.99 -1.06 -0.15 2.43 5.04 -0.85 -4.98 117.35 113.79 2wr2 s TYR 167 Ca 0.39 2.02 -0.15 0.00 -2.44 0.00 0.00 57.07 56.89 2wr2 s TYR 167 Cb 0.07 0.61 -0.04 0.00 0.35 0.00 0.00 41.96 42.94 2wr2 s TYR 167 CO 0.14 -0.54 0.36 1.21 -1.34 0.00 0.00 175.55 175.37 2wr2 s ASN 168 N 2.06 6.52 -0.78 4.32 3.84 -1.26 -1.66 114.94 127.98 2wr2 s ASN 168 Ca -0.08 0.61 -0.26 0.00 0.21 0.00 0.00 52.86 53.34 2wr2 s ASN 168 Cb -0.08 -2.22 0.01 0.00 -0.55 0.00 0.00 41.25 38.41 2wr2 s ASN 168 CO -0.18 0.06 1.60 0.21 -2.79 0.00 0.00 177.10 176.00 2wr2 s ASN 169 N 0.53 5.78 -0.15 -4.21 3.84 -0.15 -4.75 114.94 115.82 2wr2 s ASN 169 Ca 0.20 -0.43 0.16 0.00 0.21 0.00 0.00 52.86 52.99 2wr2 s ASN 169 Cb -0.14 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.53 2wr2 s ASN 169 CO 0.06 -2.10 1.43 0.35 -2.79 0.00 0.00 177.10 174.05 2wr2 n THR 170 N 6.98 2.11 0.89 -5.21 -2.24 -1.26 -0.11 114.28 115.45 2wr2 n THR 170 Ca 0.20 -1.70 0.13 0.00 -2.27 0.00 0.00 64.05 60.42 2wr2 n THR 170 Cb 0.50 -0.13 0.52 0.00 -2.10 0.00 0.00 70.33 69.11 2wr2 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr2 n SER 171 N -0.23 0.27 0.00 3.42 3.41 -1.26 -4.91 113.62 114.31 2wr2 n SER 171 Ca 0.20 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2wr2 n SER 171 Cb 0.84 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2wr2 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr2 n GLY 172 N 1.45 0.50 3.45 5.00 0.00 -1.26 -5.04 105.19 109.29 2wr2 n GLY 172 Ca 0.06 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2wr2 n GLY 172 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wr2 s GLU 173 N -0.99 1.16 0.10 1.61 2.56 -1.26 -5.06 118.70 116.82 2wr2 s GLU 173 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 54.97 54.44 2wr2 s GLU 173 Cb 0.00 0.54 -0.17 0.00 2.00 0.00 0.00 34.13 36.50 2wr2 s GLU 173 CO 0.00 -0.45 1.32 1.04 -0.56 0.00 0.00 175.26 176.61 2wr2 n GLN 174 N 0.20 1.16 -4.49 4.30 6.02 -1.26 -4.57 117.38 118.73 2wr2 n GLN 174 Ca -0.18 0.42 -0.33 0.00 -0.01 0.00 0.00 57.00 56.90 2wr2 n GLN 174 Cb 0.61 -2.05 -0.15 0.00 1.02 0.00 0.00 30.24 29.68 2wr2 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr2 s MET 175 N 0.39 3.26 -0.12 -1.09 1.75 -0.16 -0.56 119.30 122.76 2wr2 s MET 175 Ca 0.83 -0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 54.26 2wr2 s MET 175 Cb -0.94 -2.66 -0.01 0.00 2.84 0.00 0.00 34.83 34.05 2wr2 s MET 175 CO 0.47 0.02 0.96 -1.17 -0.65 0.00 0.00 175.02 174.66 2wr2 s LEU 176 N 0.81 4.24 -0.07 4.11 2.96 0.26 0.20 118.68 131.18 2wr2 s LEU 176 Ca -0.05 1.45 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 2wr2 s LEU 176 Cb -0.15 -3.48 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2wr2 s LEU 176 CO 0.00 -0.43 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.88 2wr2 s ILE 177 N 2.00 0.99 -0.03 6.68 1.01 -0.62 -0.69 121.20 130.53 2wr2 s ILE 177 Ca 0.46 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2wr2 s ILE 177 Cb -0.18 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2wr2 s ILE 177 CO 0.17 0.33 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 2wr2 s ILE 178 N 0.97 3.70 0.15 2.92 1.01 -1.26 -1.72 121.20 126.96 2wr2 s ILE 178 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 2wr2 s ILE 178 Cb -0.15 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 2wr2 s ILE 178 CO 0.00 0.50 0.26 -1.66 0.00 0.00 0.00 174.94 174.03 2wr2 s TRP 179 N -0.91 0.37 0.18 3.97 -2.14 -0.48 -4.04 118.94 115.90 2wr2 s TRP 179 Ca 0.15 -0.75 -0.01 0.00 2.66 0.00 0.00 56.10 58.15 2wr2 s TRP 179 Cb -0.11 -0.08 -0.04 0.00 -3.10 0.00 0.00 33.47 30.14 2wr2 s TRP 179 CO 0.05 -0.68 0.10 0.20 -2.66 0.00 0.00 176.95 173.95 2wr2 s GLY 180 N -2.95 1.32 -0.02 3.67 0.00 -0.05 -0.67 107.32 108.62 2wr2 s GLY 180 Ca 0.15 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2wr2 s GLY 180 CO -0.02 -1.41 -0.09 -1.50 0.00 0.00 0.00 173.10 170.08 2wr2 s ILE 181 N -4.06 0.73 -0.15 0.90 2.07 -0.45 -0.55 121.20 119.69 2wr2 s ILE 181 Ca 0.33 -0.35 -0.20 0.00 -1.41 0.00 0.00 60.65 59.02 2wr2 s ILE 181 Cb 0.07 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 2wr2 s ILE 181 CO 0.09 0.22 0.59 -2.28 -1.91 0.00 0.00 174.94 171.65 2wr2 s HIS 182 N 0.09 3.45 -0.50 3.50 5.65 0.26 -1.57 115.29 126.18 2wr2 s HIS 182 Ca -0.01 0.96 -0.14 0.00 0.25 0.00 0.00 55.06 56.12 2wr2 s HIS 182 Cb -0.07 -2.72 0.11 0.00 -1.18 0.00 0.00 32.58 28.73 2wr2 s HIS 182 CO 0.00 -0.02 0.43 -1.01 -0.65 0.00 0.00 174.74 173.49 2wr2 s HIS 183 N 1.29 3.29 1.06 3.88 0.09 0.18 -4.63 115.29 120.46 2wr2 s HIS 183 Ca 0.29 -1.37 -0.12 0.00 -0.00 0.00 0.00 55.06 53.86 2wr2 s HIS 183 Cb -0.16 -3.56 0.22 0.00 -0.00 0.00 0.00 32.58 29.08 2wr2 s HIS 183 CO 0.12 -0.96 1.07 -2.14 -0.00 0.00 0.00 174.74 172.82 2wr2 s PRO 184 N 1.54 -0.06 0.01 8.40 0.02 -1.26 -1.79 135.00 141.86 2wr2 s PRO 184 Ca 0.04 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 61.63 2wr2 s PRO 184 Cb -0.28 -1.66 -0.33 0.00 0.02 0.00 0.00 34.50 32.25 2wr2 s PRO 184 CO 0.03 -3.12 0.98 -0.91 -0.33 0.00 0.00 177.00 173.65 2wr2 h ASN 185 N -2.19 0.72 -5.39 2.53 2.35 -1.86 -3.14 115.58 108.60 2wr2 h ASN 185 Ca -0.57 -0.91 -0.21 0.00 -0.55 0.00 0.00 56.30 54.06 2wr2 h ASN 185 Cb 1.32 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 2wr2 h ASN 185 CO 0.53 1.57 -0.06 1.51 -1.65 0.00 0.00 177.43 179.33 2wr2 s ASP 186 N -7.33 0.72 0.20 5.81 1.47 -1.26 -3.81 116.67 112.48 2wr2 s ASP 186 Ca -0.11 -1.42 -0.06 0.00 1.18 0.00 0.00 52.55 52.14 2wr2 s ASP 186 Cb 0.03 0.72 0.14 0.00 -0.34 0.00 0.00 42.92 43.48 2wr2 s ASP 186 CO 0.90 -1.42 1.63 0.44 0.68 0.00 0.00 175.17 177.40 2wr2 h ASP 187 N 2.07 0.90 -0.47 2.11 3.45 -1.94 -2.49 116.42 120.03 2wr2 h ASP 187 Ca -0.29 -0.30 -0.06 0.00 0.43 0.00 0.00 57.03 56.81 2wr2 h ASP 187 Cb 1.24 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.74 2wr2 h ASP 187 CO 0.39 1.04 0.10 0.00 -1.57 0.00 0.00 179.24 179.20 2wr2 h ALA 188 N 1.04 1.17 -0.40 3.45 0.00 -1.99 -1.57 119.26 120.97 2wr2 h ALA 188 Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2wr2 h ALA 188 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wr2 h ALA 188 CO 0.05 0.55 -0.20 1.49 0.00 0.00 0.00 179.25 181.15 2wr2 h GLU 189 N 0.79 0.84 0.03 0.00 4.81 -1.94 -0.59 114.58 118.53 2wr2 h GLU 189 Ca 0.17 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2wr2 h GLU 189 Cb 0.34 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2wr2 h GLU 189 CO 0.00 1.01 -0.26 0.37 -0.73 0.00 0.00 179.01 179.40 2wr2 h GLN 190 N 0.66 -0.40 0.00 1.92 5.75 -1.10 -1.58 115.11 120.35 2wr2 h GLN 190 Ca 0.09 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2wr2 h GLN 190 Cb 0.76 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2wr2 h GLN 190 CO 0.06 -0.27 -0.36 0.00 -2.65 0.00 0.00 178.83 175.61 2wr2 h ARG 191 N -0.42 0.00 0.00 1.69 3.08 -1.14 0.11 114.38 117.70 2wr2 h ARG 191 Ca 0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2wr2 h ARG 191 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2wr2 h ARG 191 CO -0.21 0.36 -0.70 0.00 -1.07 0.00 0.00 179.97 178.36 2wr2 h THR 192 N 0.00 1.01 0.12 2.04 1.03 -0.98 -1.19 112.91 114.94 2wr2 h THR 192 Ca -0.00 -2.46 -0.32 0.00 -0.01 0.00 0.00 66.41 63.61 2wr2 h THR 192 Cb 0.74 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 70.29 2wr2 h THR 192 CO 0.05 0.58 -1.70 -0.07 -0.01 0.00 0.00 175.52 174.36 2wr2 h LEU 193 N 0.00 0.41 -0.85 0.00 3.38 -0.98 -3.43 115.31 113.84 2wr2 h LEU 193 Ca -0.02 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2wr2 h LEU 193 Cb 1.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2wr2 h LEU 193 CO 0.08 1.74 0.00 -1.22 0.09 0.00 0.00 178.44 179.13 2wr2 n TYR 194 N -3.73 0.00 0.00 1.13 4.01 0.36 -0.92 117.16 118.01 2wr2 n TYR 194 Ca -0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 2wr2 n TYR 194 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 2wr2 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr2 n GLN 195 N -0.04 0.00 -1.90 -0.72 -0.06 -0.45 -4.46 117.38 109.74 2wr2 n GLN 195 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.65 2wr2 n GLN 195 Cb 0.02 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.25 2wr2 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr2 s ASN 196 N 0.00 5.08 0.38 1.69 0.01 -1.26 -4.61 114.94 116.23 2wr2 s ASN 196 Ca 0.00 2.28 0.07 0.00 -0.71 0.00 0.00 52.86 54.51 2wr2 s ASN 196 Cb 0.00 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 2wr2 s ASN 196 CO 0.00 -1.66 -0.02 0.54 -1.51 0.00 0.00 177.10 174.45 2wr2 s VAL 197 N -1.82 2.00 -1.13 1.60 0.11 -1.26 -4.57 120.40 115.33 2wr2 s VAL 197 Ca 0.74 -2.06 -0.05 0.00 -2.93 0.00 0.00 61.98 57.68 2wr2 s VAL 197 Cb -0.27 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2wr2 s VAL 197 CO 0.36 -0.07 0.91 0.61 -3.33 0.00 0.00 175.10 173.58 2wr2 n GLY 198 N -0.89 -0.80 4.02 6.54 0.00 -1.26 -5.01 105.19 107.79 2wr2 n GLY 198 Ca -0.05 0.37 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 2wr2 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr2 s THR 199 N -3.42 2.06 0.19 2.61 -4.23 -1.26 -5.08 115.64 106.52 2wr2 s THR 199 Ca 0.26 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 2wr2 s THR 199 Cb -0.04 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 2wr2 s THR 199 CO 0.75 0.00 0.37 -0.72 -0.54 0.00 0.00 174.62 174.49 2wr2 s TYR 200 N -2.87 0.32 -0.06 3.99 -0.85 -1.26 -4.28 117.35 112.33 2wr2 s TYR 200 Ca 0.64 -0.67 -0.00 0.00 -0.52 0.00 0.00 57.07 56.52 2wr2 s TYR 200 Cb -0.05 0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.39 2wr2 s TYR 200 CO 0.42 -0.83 -0.02 0.08 -1.52 0.00 0.00 175.55 173.68 2wr2 s VAL 201 N -3.97 0.47 0.04 -3.49 1.01 -0.31 -2.78 120.40 111.38 2wr2 s VAL 201 Ca 0.18 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.23 2wr2 s VAL 201 Cb 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2wr2 s VAL 201 CO 0.02 0.25 -0.22 -0.94 0.00 0.00 0.00 175.10 174.21 2wr2 s SER 202 N 1.47 2.64 -0.02 3.32 1.04 -0.21 -0.08 113.70 121.86 2wr2 s SER 202 Ca -0.02 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2wr2 s SER 202 Cb -0.13 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.79 2wr2 s SER 202 CO -0.03 0.19 0.02 -0.69 0.98 0.00 0.00 173.24 173.71 2wr2 s VAL 203 N -0.79 -0.02 -0.00 5.02 1.01 0.11 -1.98 120.40 123.76 2wr2 s VAL 203 Ca 0.09 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2wr2 s VAL 203 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 2wr2 s VAL 203 CO 0.02 0.10 -0.03 -0.83 0.00 0.00 0.00 175.10 174.35 2wr2 s GLY 204 N 1.06 0.17 0.00 4.51 0.00 -0.91 -1.72 107.32 110.43 2wr2 s GLY 204 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2wr2 s GLY 204 CO -0.03 -0.13 0.00 -1.30 0.00 0.00 0.00 173.10 171.64 2wr2 n THR 205 N 2.97 0.00 0.75 0.90 -2.24 -0.58 -1.19 114.28 114.89 2wr2 n THR 205 Ca -0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2wr2 n THR 205 Cb 0.59 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.30 2wr2 n THR 205 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr2 n SER 206 N -1.09 0.12 0.00 3.42 3.41 -1.26 -4.05 113.62 114.17 2wr2 n SER 206 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2wr2 n SER 206 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2wr2 n SER 206 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wr2 n THR 207 N -1.62 0.00 -3.37 6.66 -2.24 -1.26 -5.05 114.28 107.39 2wr2 n THR 207 Ca 0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 2wr2 n THR 207 Cb 0.28 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2wr2 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr2 s LEU 208 N -1.77 4.29 -0.13 3.22 2.96 -1.26 -5.06 118.68 120.94 2wr2 s LEU 208 Ca 0.00 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2wr2 s LEU 208 Cb 0.00 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 44.11 2wr2 s LEU 208 CO 0.00 0.05 -0.02 0.21 -1.32 0.00 0.00 176.35 175.27 2wr2 s ASN 209 N 0.45 2.24 -0.19 3.68 2.47 -1.26 -1.52 114.94 120.81 2wr2 s ASN 209 Ca 0.24 -0.40 -0.14 0.00 0.42 0.00 0.00 52.86 52.97 2wr2 s ASN 209 Cb -0.15 -0.64 0.05 0.00 -1.45 0.00 0.00 41.25 39.06 2wr2 s ASN 209 CO 0.09 -0.20 0.48 -0.75 -3.72 0.00 0.00 177.10 173.00 2wr2 s LYS 210 N 1.83 0.53 -0.07 0.43 2.20 -0.70 -5.01 119.74 118.95 2wr2 s LYS 210 Ca 0.03 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 56.40 2wr2 s LYS 210 Cb -0.14 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2wr2 s LYS 210 CO -0.07 -0.10 -0.01 0.50 -0.36 0.00 0.00 175.35 175.31 2wr2 s ARG 211 N 0.75 0.69 0.00 4.03 3.52 -1.26 0.08 118.95 126.78 2wr2 s ARG 211 Ca -0.04 0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 2wr2 s ARG 211 Cb -0.05 -0.96 -0.03 0.00 -1.56 0.00 0.00 34.95 32.34 2wr2 s ARG 211 CO -0.06 -0.25 -0.08 -1.12 -0.81 0.00 0.00 175.30 172.98 2wr2 s SER 212 N 1.72 4.52 -0.08 -2.12 0.01 0.88 -4.94 113.70 113.69 2wr2 s SER 212 Ca 0.01 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2wr2 s SER 212 Cb -0.13 -1.02 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2wr2 s SER 212 CO -0.04 0.28 -0.07 -0.63 0.41 0.00 0.00 173.24 173.19 2wr2 s ILE 213 N -0.98 3.64 0.35 1.44 1.09 -1.26 -1.16 121.20 124.32 2wr2 s ILE 213 Ca 0.17 -0.49 -0.28 0.00 -1.10 0.00 0.00 60.65 58.94 2wr2 s ILE 213 Cb -0.11 -2.50 -0.11 0.00 -1.06 0.00 0.00 42.46 38.69 2wr2 s ILE 213 CO 0.07 0.59 1.40 -2.84 -0.10 0.00 0.00 174.94 174.05 2wr2 s PRO 214 N -0.64 4.24 -0.38 2.79 0.02 -1.26 -4.99 135.00 134.77 2wr2 s PRO 214 Ca 0.10 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.45 2wr2 s PRO 214 Cb -0.11 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.46 2wr2 s PRO 214 CO 0.02 -0.36 0.17 -1.21 -0.33 0.00 0.00 177.00 175.29 2wr2 s GLU 215 N -1.89 2.39 -0.55 5.54 2.02 -1.26 -5.00 118.70 119.94 2wr2 s GLU 215 Ca 0.51 -1.50 -0.20 0.00 0.02 0.00 0.00 54.97 53.80 2wr2 s GLU 215 Cb -0.43 -3.56 0.07 0.00 0.10 0.00 0.00 34.13 30.30 2wr2 s GLU 215 CO 0.57 -0.89 0.72 0.42 0.02 0.00 0.00 175.26 176.11 2wr2 s ILE 216 N 1.30 4.74 0.30 -1.63 1.01 -1.26 -4.12 121.20 121.54 2wr2 s ILE 216 Ca 0.02 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2wr2 s ILE 216 Cb -0.22 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 2wr2 s ILE 216 CO -0.00 -1.00 0.28 0.00 0.00 0.00 0.00 174.94 174.21 2wr2 s ALA 217 N 2.98 1.53 -0.24 9.38 0.00 -1.19 -4.89 121.76 129.34 2wr2 s ALA 217 Ca 0.17 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 2wr2 s ALA 217 Cb -0.19 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2wr2 s ALA 217 CO 0.11 -0.67 0.11 0.99 0.00 0.00 0.00 175.76 176.30 2wr2 s THR 218 N -3.55 4.84 0.05 0.00 2.01 -1.26 -4.46 115.64 113.27 2wr2 s THR 218 Ca 0.39 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.37 2wr2 s THR 218 Cb 0.03 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2wr2 s THR 218 CO 0.23 0.35 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.38 2wr2 s ARG 219 N 1.26 0.60 0.78 4.92 0.52 -1.26 -5.15 118.95 120.61 2wr2 s ARG 219 Ca 0.06 -1.11 -0.11 0.00 -0.52 0.00 0.00 55.73 54.05 2wr2 s ARG 219 Cb -0.14 0.21 0.06 0.00 0.52 0.00 0.00 34.95 35.60 2wr2 s ARG 219 CO 0.05 -0.12 1.11 -2.14 0.02 0.00 0.00 175.30 174.22 2wr2 s PRO 220 N -3.60 2.10 0.18 3.54 0.02 -1.26 -4.74 135.00 131.25 2wr2 s PRO 220 Ca 0.04 1.28 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 2wr2 s PRO 220 Cb 0.05 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2wr2 s PRO 220 CO -0.09 -1.77 0.97 0.15 -0.33 0.00 0.00 177.00 175.93 2wr2 s LYS 221 N -4.73 4.75 -0.09 5.54 1.02 -1.26 -4.43 119.74 120.54 2wr2 s LYS 221 Ca 0.63 1.51 0.01 0.00 0.02 0.00 0.00 55.97 58.14 2wr2 s LYS 221 Cb -0.19 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2wr2 s LYS 221 CO 0.54 0.33 -0.11 0.08 -0.92 0.00 0.00 175.35 175.27 2wr2 s VAL 222 N -0.56 1.13 -1.28 3.17 1.01 -0.46 -4.65 120.40 118.76 2wr2 s VAL 222 Ca 0.45 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2wr2 s VAL 222 Cb -0.25 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.12 2wr2 s VAL 222 CO 0.32 0.37 0.48 0.59 0.00 0.00 0.00 175.10 176.85 2wr2 n ASN 223 N 4.27 -3.74 0.00 3.32 3.02 -1.26 -1.43 115.26 119.45 2wr2 n ASN 223 Ca -0.19 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2wr2 n ASN 223 Cb 0.51 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 2wr2 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr2 n GLY 224 N -1.17 0.76 3.10 7.41 0.00 -1.26 -4.30 105.19 109.73 2wr2 n GLY 224 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2wr2 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr2 s GLN 225 N -0.21 1.91 0.13 1.61 -1.52 -0.51 -4.97 119.66 116.10 2wr2 s GLN 225 Ca 0.00 -0.56 0.25 0.00 -1.95 0.00 0.00 55.36 53.10 2wr2 s GLN 225 Cb 0.00 -1.58 0.48 0.00 -0.22 0.00 0.00 33.01 31.69 2wr2 s GLN 225 CO 0.00 0.14 1.44 0.41 -0.25 0.00 0.00 175.29 177.03 2wr2 n GLY 226 N 3.49 -1.47 3.88 3.09 0.00 -1.26 -1.35 105.19 111.56 2wr2 n GLY 226 Ca -0.20 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2wr2 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr2 s GLY 227 N -3.58 1.64 0.09 -0.02 0.00 -1.26 -4.53 107.32 99.66 2wr2 s GLY 227 Ca 0.08 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.61 2wr2 s GLY 227 CO 0.69 0.07 -0.13 0.50 0.00 0.00 0.00 173.10 174.23 2wr2 s ARG 228 N -5.20 0.88 -0.09 2.90 1.81 -0.74 -4.60 118.95 113.91 2wr2 s ARG 228 Ca 0.56 -1.10 0.03 0.00 -1.72 0.00 0.00 55.73 53.50 2wr2 s ARG 228 Cb -0.11 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.66 2wr2 s ARG 228 CO 0.52 0.14 -0.17 -1.64 -0.68 0.00 0.00 175.30 173.47 2wr2 s MET 229 N -2.34 2.36 -0.18 3.54 -1.94 -0.35 0.49 119.30 120.87 2wr2 s MET 229 Ca 0.03 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.35 2wr2 s MET 229 Cb -0.06 -1.89 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 2wr2 s MET 229 CO 0.02 0.05 -0.06 -2.00 -0.01 0.00 0.00 175.02 173.02 2wr2 s GLU 230 N 0.65 3.47 0.04 2.03 2.12 -0.61 -1.47 118.70 124.93 2wr2 s GLU 230 Ca -0.13 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.62 2wr2 s GLU 230 Cb -0.16 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2wr2 s GLU 230 CO 0.04 0.02 0.02 -0.06 -0.54 0.00 0.00 175.26 174.73 2wr2 s PHE 231 N 0.92 3.08 0.27 5.30 0.08 -0.25 -1.34 117.98 126.05 2wr2 s PHE 231 Ca -0.01 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.12 2wr2 s PHE 231 Cb -0.15 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2wr2 s PHE 231 CO 0.01 0.48 0.08 -1.12 -0.10 0.00 0.00 175.22 174.56 2wr2 s SER 232 N -1.90 1.52 0.12 1.36 0.01 0.15 -1.18 113.70 113.78 2wr2 s SER 232 Ca 0.23 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.04 2wr2 s SER 232 Cb -0.12 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2wr2 s SER 232 CO 0.14 -0.68 0.22 -1.66 0.41 0.00 0.00 173.24 171.67 2wr2 s TRP 233 N -3.62 0.26 0.12 2.43 1.48 -1.26 -1.38 118.94 116.97 2wr2 s TRP 233 Ca 0.37 -0.66 -0.15 0.00 -1.06 0.00 0.00 56.10 54.59 2wr2 s TRP 233 Cb 0.08 -0.07 0.03 0.00 -1.16 0.00 0.00 33.47 32.35 2wr2 s TRP 233 CO 0.14 -0.61 0.38 -0.08 -4.06 0.00 0.00 176.95 172.72 2wr2 s THR 234 N -3.90 0.08 -0.34 0.66 -1.32 -0.70 -5.00 115.64 105.11 2wr2 s THR 234 Ca 0.10 -0.64 -0.13 0.00 -1.21 0.00 0.00 61.69 59.82 2wr2 s THR 234 Cb 0.04 -1.18 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 2wr2 s THR 234 CO -0.07 -0.35 0.23 -0.76 -2.21 0.00 0.00 174.62 171.46 2wr2 s LEU 235 N -2.78 4.50 -0.32 9.08 1.43 -1.26 -1.59 118.68 127.74 2wr2 s LEU 235 Ca 0.03 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.45 2wr2 s LEU 235 Cb 0.02 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 2wr2 s LEU 235 CO -0.12 -0.24 0.68 -0.22 0.23 0.00 0.00 176.35 176.68 2wr2 s LEU 236 N 1.70 4.16 0.79 1.79 2.96 0.13 -4.89 118.68 125.32 2wr2 s LEU 236 Ca 0.06 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 54.27 2wr2 s LEU 236 Cb -0.17 -2.88 0.07 0.00 0.50 0.00 0.00 46.19 43.70 2wr2 s LEU 236 CO 0.10 -0.55 1.09 -0.70 -1.32 0.00 0.00 176.35 174.97 2wr2 s GLU 237 N 2.74 2.13 0.38 1.98 2.56 -1.26 -0.99 118.70 126.24 2wr2 s GLU 237 Ca 0.27 1.17 -0.28 0.00 0.00 0.00 0.00 54.97 56.13 2wr2 s GLU 237 Cb -0.14 -1.88 -0.11 0.00 2.00 0.00 0.00 34.13 33.99 2wr2 s GLU 237 CO 0.13 -1.73 1.47 0.25 -0.56 0.00 0.00 175.26 174.82 2wr2 n THR 238 N -3.58 2.01 -0.76 -1.70 -2.24 -1.26 -2.21 114.28 104.53 2wr2 n THR 238 Ca 0.09 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2wr2 n THR 238 Cb 0.53 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2wr2 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr2 n TRP 239 N 0.41 0.00 -2.88 4.78 7.02 0.84 -4.96 117.44 122.66 2wr2 n TRP 239 Ca 0.02 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 2wr2 n TRP 239 Cb 0.39 -1.07 -0.00 0.00 -2.42 0.00 0.00 31.31 28.21 2wr2 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr2 s ASP 240 N -2.26 6.28 0.05 -0.99 2.15 -0.94 -4.73 116.67 116.23 2wr2 s ASP 240 Ca 0.00 0.78 0.05 0.00 0.43 0.00 0.00 52.55 53.81 2wr2 s ASP 240 Cb 0.00 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 2wr2 s ASP 240 CO 0.00 -0.48 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.73 2wr2 s VAL 241 N -2.60 3.41 -0.07 1.11 1.01 -1.26 -0.98 120.40 121.02 2wr2 s VAL 241 Ca 0.45 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2wr2 s VAL 241 Cb -0.10 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2wr2 s VAL 241 CO 0.42 0.27 -0.22 -0.51 0.00 0.00 0.00 175.10 175.06 2wr2 s ILE 242 N -1.07 1.88 -0.14 2.22 2.07 -0.67 -4.29 121.20 121.20 2wr2 s ILE 242 Ca 0.19 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 2wr2 s ILE 242 Cb -0.11 -1.61 0.01 0.00 0.13 0.00 0.00 42.46 40.88 2wr2 s ILE 242 CO 0.10 0.52 -0.21 0.20 -1.91 0.00 0.00 174.94 173.64 2wr2 s ASN 243 N 0.08 3.05 -0.05 4.50 0.01 -0.33 -2.01 114.94 120.19 2wr2 s ASN 243 Ca -0.09 -0.59 -0.04 0.00 -0.71 0.00 0.00 52.86 51.43 2wr2 s ASN 243 Cb -0.15 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 2wr2 s ASN 243 CO 0.05 0.07 0.14 -0.36 -1.51 0.00 0.00 177.10 175.49 2wr2 s PHE 244 N 0.88 3.51 -0.12 2.20 0.08 -0.35 -2.14 117.98 122.02 2wr2 s PHE 244 Ca -0.06 0.38 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 2wr2 s PHE 244 Cb -0.15 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2wr2 s PHE 244 CO -0.03 0.65 0.30 -2.00 -0.10 0.00 0.00 175.22 174.04 2wr2 s GLU 245 N -1.57 0.28 -0.06 0.44 2.12 -0.83 -2.82 118.70 116.25 2wr2 s GLU 245 Ca 0.22 0.58 -0.20 0.00 0.36 0.00 0.00 54.97 55.93 2wr2 s GLU 245 Cb -0.12 -0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.26 2wr2 s GLU 245 CO 0.13 -0.14 0.46 0.45 -0.54 0.00 0.00 175.26 175.62 2wr2 s SER 246 N 1.14 -0.41 0.00 -1.70 0.15 -0.65 -1.05 113.70 111.18 2wr2 s SER 246 Ca -0.08 0.48 0.16 0.00 0.70 0.00 0.00 55.95 57.21 2wr2 s SER 246 Cb -0.09 0.54 0.24 0.00 -1.71 0.00 0.00 66.02 65.00 2wr2 s SER 246 CO -0.08 -0.43 1.13 0.35 1.20 0.00 0.00 173.24 175.41 2wr2 n THR 247 N 1.51 0.36 0.00 6.45 -2.24 -1.12 -0.67 114.28 118.58 2wr2 n THR 247 Ca -0.19 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2wr2 n THR 247 Cb 0.56 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2wr2 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 248 N 0.92 3.91 2.71 3.38 0.00 -1.26 -4.70 105.19 110.14 2wr2 n GLY 248 Ca 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2wr2 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr2 n ASN 249 N 0.00 -0.04 -4.70 1.61 3.02 -1.26 -4.28 115.26 109.60 2wr2 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr2 n ASN 249 Cb 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 2wr2 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr2 s LEU 250 N 0.00 4.35 -0.49 3.41 2.96 -1.26 -0.57 118.68 127.08 2wr2 s LEU 250 Ca 0.00 2.21 -0.09 0.00 -0.22 0.00 0.00 54.13 56.04 2wr2 s LEU 250 Cb 0.00 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.24 2wr2 s LEU 250 CO 0.00 -0.66 0.35 -0.63 -1.32 0.00 0.00 176.35 174.10 2wr2 s ILE 251 N 1.61 4.17 0.27 6.68 -1.09 0.29 -3.43 121.20 129.70 2wr2 s ILE 251 Ca 0.64 -1.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.02 2wr2 s ILE 251 Cb -0.34 -3.75 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 2wr2 s ILE 251 CO 0.29 -0.78 0.68 0.00 -1.23 0.00 0.00 174.94 173.89 2wr2 s ALA 252 N 1.24 3.41 0.45 9.38 0.00 0.37 -0.87 121.76 135.74 2wr2 s ALA 252 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 2wr2 s ALA 252 Cb -0.25 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 2wr2 s ALA 252 CO -0.01 0.38 0.89 -1.25 0.00 0.00 0.00 175.76 175.76 2wr2 s PRO 253 N -2.69 3.93 -0.16 0.00 0.04 -1.26 0.16 135.00 135.02 2wr2 s PRO 253 Ca 0.50 0.79 0.13 0.00 0.04 0.00 0.00 61.00 62.45 2wr2 s PRO 253 Cb -0.12 -2.25 -0.19 0.00 0.04 0.00 0.00 34.50 31.98 2wr2 s PRO 253 CO 0.19 -0.12 0.03 -1.91 0.04 0.00 0.00 177.00 175.22 2wr2 n GLU 254 N -1.25 1.29 -4.73 4.56 2.13 -0.35 -4.56 120.64 117.73 2wr2 n GLU 254 Ca 0.05 0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.57 2wr2 n GLU 254 Cb 0.54 -1.41 -0.14 0.00 0.27 0.00 0.00 31.44 30.70 2wr2 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr2 s TYR 255 N -2.39 2.43 0.45 4.31 2.02 -1.24 -1.31 117.35 121.63 2wr2 s TYR 255 Ca -0.10 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2wr2 s TYR 255 Cb 0.05 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2wr2 s TYR 255 CO 0.63 0.21 0.24 0.20 -1.57 0.00 0.00 175.55 175.26 2wr2 s GLY 256 N -1.44 2.38 -0.12 0.71 0.00 0.04 -4.72 107.32 104.18 2wr2 s GLY 256 Ca 0.13 -1.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.13 2wr2 s GLY 256 CO 0.04 -1.92 -0.10 -1.36 0.00 0.00 0.00 173.10 169.76 2wr2 s PHE 257 N -2.65 1.67 -0.17 1.90 0.08 0.13 -1.26 117.98 117.69 2wr2 s PHE 257 Ca 0.37 -0.86 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 2wr2 s PHE 257 Cb 0.01 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2wr2 s PHE 257 CO 0.21 -0.54 1.22 0.15 -0.10 0.00 0.00 175.22 176.16 2wr2 s LYS 258 N 1.58 4.24 -0.16 0.44 1.02 -0.45 0.89 119.74 127.31 2wr2 s LYS 258 Ca 0.04 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2wr2 s LYS 258 Cb -0.13 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 2wr2 s LYS 258 CO -0.08 -0.68 -0.16 0.42 -0.92 0.00 0.00 175.35 173.92 2wr2 s ILE 259 N 3.40 2.55 -0.30 2.17 -1.09 0.27 -2.77 121.20 125.43 2wr2 s ILE 259 Ca 0.53 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2wr2 s ILE 259 Cb -0.21 -2.08 0.07 0.00 -1.58 0.00 0.00 42.46 38.67 2wr2 s ILE 259 CO 0.13 0.52 -0.01 -0.44 -1.23 0.00 0.00 174.94 173.91 2wr2 s SER 260 N 0.90 4.75 -0.05 3.58 0.01 -1.18 -4.17 113.70 117.55 2wr2 s SER 260 Ca -0.04 -1.55 -0.30 0.00 1.31 0.00 0.00 55.95 55.37 2wr2 s SER 260 Cb -0.15 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 2wr2 s SER 260 CO -0.02 -0.28 1.55 -0.54 0.41 0.00 0.00 173.24 174.36 2wr2 s LYS 261 N 1.12 4.21 0.00 12.44 1.02 -1.26 -0.93 119.74 136.34 2wr2 s LYS 261 Ca -0.02 2.09 0.00 0.00 0.02 0.00 0.00 55.97 58.05 2wr2 s LYS 261 Cb -0.20 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2wr2 s LYS 261 CO -0.04 -0.76 0.37 -2.13 -0.92 0.00 0.00 175.35 171.87 2wr2 n ARG 262 N 6.56 0.00 0.00 1.68 0.63 -0.83 -4.88 116.66 119.81 2wr2 n ARG 262 Ca 0.16 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 2wr2 n ARG 262 Cb 0.43 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.36 2wr2 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wr2 n GLY 263 N 0.74 4.72 2.77 5.14 0.00 -1.26 -5.07 105.19 112.24 2wr2 n GLY 263 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2wr2 n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr2 s SER 264 N 1.00 0.38 0.00 1.61 0.15 -1.26 -4.65 113.70 110.93 2wr2 s SER 264 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2wr2 s SER 264 Cb 0.00 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2wr2 s SER 264 CO 0.00 -0.14 0.00 -0.24 1.20 0.00 0.00 173.24 174.06 2wr2 n SER 265 N 4.35 0.00 -1.74 5.45 2.88 -1.26 -4.82 113.62 118.48 2wr2 n SER 265 Ca -0.24 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.27 2wr2 n SER 265 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2wr2 n SER 265 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wr2 n GLY 266 N 3.61 1.61 3.53 0.46 0.00 -1.26 -4.77 105.19 108.38 2wr2 n GLY 266 Ca 0.00 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 2wr2 n GLY 266 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr2 s ILE 267 N -2.63 4.05 -0.20 -0.61 1.01 -1.26 -2.30 121.20 119.26 2wr2 s ILE 267 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2wr2 s ILE 267 Cb -0.02 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2wr2 s ILE 267 CO 0.05 0.50 0.08 -0.32 0.00 0.00 0.00 174.94 175.25 2wr2 s MET 268 N 0.23 3.94 -0.28 2.79 -2.45 0.16 -4.81 119.30 118.88 2wr2 s MET 268 Ca -0.01 -0.35 -0.12 0.00 -1.25 0.00 0.00 55.69 53.95 2wr2 s MET 268 Cb -0.14 -3.27 -0.05 0.00 1.25 0.00 0.00 34.83 32.62 2wr2 s MET 268 CO 0.02 0.18 0.23 0.15 1.05 0.00 0.00 175.02 176.65 2wr2 s LYS 269 N 0.64 3.95 -0.07 4.11 -0.14 -1.26 -0.84 119.74 126.13 2wr2 s LYS 269 Ca 0.04 -0.25 -0.31 0.00 -1.36 0.00 0.00 55.97 54.09 2wr2 s LYS 269 Cb -0.13 -3.66 0.12 0.00 -1.68 0.00 0.00 37.83 32.47 2wr2 s LYS 269 CO 0.01 -0.21 1.10 -0.08 -0.76 0.00 0.00 175.35 175.42 2wr2 s THR 270 N 1.83 0.00 -2.30 2.17 -1.32 -0.34 -4.81 115.64 110.87 2wr2 s THR 270 Ca 0.09 -0.12 0.20 0.00 -1.21 0.00 0.00 61.69 60.65 2wr2 s THR 270 Cb -0.16 -1.29 0.24 0.00 -1.51 0.00 0.00 72.50 69.78 2wr2 s THR 270 CO 0.11 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 173.10 2wr2 n GLU 271 N -0.25 1.97 -2.17 7.08 -0.58 -1.26 -3.95 120.64 121.47 2wr2 n GLU 271 Ca -0.04 -1.85 -0.29 0.00 -0.42 0.00 0.00 57.16 54.55 2wr2 n GLU 271 Cb 0.60 -1.40 0.02 0.00 -0.57 0.00 0.00 31.44 30.09 2wr2 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr2 s LYS 272 N -1.51 3.34 0.27 3.49 1.02 -1.26 -5.10 119.74 119.99 2wr2 s LYS 272 Ca 0.27 0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.76 2wr2 s LYS 272 Cb 0.18 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 2wr2 s LYS 272 CO 0.25 -0.57 -0.10 0.95 -0.92 0.00 0.00 175.35 174.97 2wr2 s THR 273 N -3.06 1.79 0.76 2.17 -4.23 -1.26 -5.00 115.64 106.81 2wr2 s THR 273 Ca 0.53 -2.18 -0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2wr2 s THR 273 Cb -0.11 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.43 2wr2 s THR 273 CO 0.50 -0.38 1.13 -0.11 -0.54 0.00 0.00 174.62 175.22 2wr2 n LEU 274 N -0.55 4.34 0.00 4.79 7.94 -1.26 -4.20 117.00 128.06 2wr2 n LEU 274 Ca -0.06 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 2wr2 n LEU 274 Cb 0.62 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2wr2 n LEU 274 CO 0.39 -1.71 0.00 -0.62 -1.11 0.00 0.00 177.39 174.33 2wr2 n GLU 275 N -2.59 0.00 -2.32 1.96 1.02 -0.82 -4.96 120.64 112.94 2wr2 n GLU 275 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2wr2 n GLU 275 Cb 0.50 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2wr2 n GLU 275 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wr2 n ASN 276 N -2.48 -9.15 -1.21 1.62 5.15 -1.26 -5.05 115.26 102.89 2wr2 n ASN 276 Ca 0.00 1.80 0.02 0.00 -0.60 0.00 0.00 54.58 55.81 2wr2 n ASN 276 Cb 0.00 -5.08 -0.01 0.00 -0.53 0.00 0.00 39.78 34.16 2wr2 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr2 s GLU 278 N -4.69 0.69 0.17 0.00 2.56 -1.26 -3.80 118.70 112.37 2wr2 s GLU 278 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 54.97 54.42 2wr2 s GLU 278 Cb 0.00 0.30 0.06 0.00 2.00 0.00 0.00 34.13 36.49 2wr2 s GLU 278 CO 0.00 -0.20 0.59 -0.08 -0.56 0.00 0.00 175.26 175.01 2wr2 s THR 279 N -1.75 0.01 -1.46 -1.70 -1.32 -0.84 -4.90 115.64 103.67 2wr2 s THR 279 Ca -0.11 -0.12 0.17 0.00 -1.21 0.00 0.00 61.69 60.42 2wr2 s THR 279 Cb -0.04 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2wr2 s THR 279 CO 0.01 -0.02 0.86 0.29 -2.21 0.00 0.00 174.62 173.55 2wr2 n LYS 280 N -0.37 1.65 -3.49 7.08 5.02 -1.26 -2.81 118.16 123.98 2wr2 n LYS 280 Ca -0.16 -0.76 -0.05 0.00 -2.02 0.00 0.00 58.31 55.32 2wr2 n LYS 280 Cb 0.64 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 2wr2 n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wr2 s GLN 282 N 2.71 2.51 0.22 0.00 2.00 -0.40 -1.43 119.66 125.26 2wr2 s GLN 282 Ca 0.05 -0.75 0.08 0.00 -2.00 0.00 0.00 55.36 52.74 2wr2 s GLN 282 Cb -0.13 -2.47 -0.05 0.00 0.80 0.00 0.00 33.01 31.16 2wr2 s GLN 282 CO -0.16 0.60 -0.14 0.95 -0.50 0.00 0.00 175.29 176.03 2wr2 s THR 283 N -0.99 1.80 0.44 -0.34 -4.23 -0.49 -1.80 115.64 110.03 2wr2 s THR 283 Ca 0.17 -2.23 0.37 0.00 -1.18 0.00 0.00 61.69 58.82 2wr2 s THR 283 Cb -0.11 -2.09 0.37 0.00 1.34 0.00 0.00 72.50 72.01 2wr2 s THR 283 CO 0.07 -0.56 2.14 -0.65 -0.54 0.00 0.00 174.62 175.08 2wr2 h PRO 284 N 2.52 0.00 0.00 3.99 0.11 -1.88 -1.28 132.00 135.46 2wr2 h PRO 284 Ca -0.38 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 2wr2 h PRO 284 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2wr2 h PRO 284 CO 0.62 0.00 -1.30 -0.07 -0.21 0.00 0.00 178.00 177.04 2wr2 h LEU 285 N 0.00 0.00 0.00 2.35 4.07 -1.94 -3.46 115.31 116.33 2wr2 h LEU 285 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wr2 h LEU 285 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2wr2 h LEU 285 CO 0.00 0.67 0.00 0.61 -1.08 0.00 0.00 178.44 178.64 2wr2 n GLY 286 N 1.39 1.42 3.90 0.83 0.00 -0.48 -4.26 105.19 108.00 2wr2 n GLY 286 Ca -0.08 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 2wr2 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s ALA 287 N -1.84 3.22 -0.10 4.61 0.00 -0.86 -1.39 121.76 125.39 2wr2 s ALA 287 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2wr2 s ALA 287 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.39 2wr2 s ALA 287 CO 0.00 -0.75 -0.15 0.42 0.00 0.00 0.00 175.76 175.28 2wr2 s ILE 288 N -3.03 1.44 -0.28 0.00 1.01 -0.51 -2.02 121.20 117.80 2wr2 s ILE 288 Ca 0.53 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2wr2 s ILE 288 Cb -0.11 -1.32 0.06 0.00 0.01 0.00 0.00 42.46 41.10 2wr2 s ILE 288 CO 0.47 0.43 -0.06 0.21 0.00 0.00 0.00 174.94 176.00 2wr2 s ASN 289 N 0.99 4.66 0.11 3.58 2.47 -1.26 -4.22 114.94 121.25 2wr2 s ASN 289 Ca -0.07 -1.36 -0.24 0.00 0.42 0.00 0.00 52.86 51.61 2wr2 s ASN 289 Cb -0.15 -1.62 0.07 0.00 -1.45 0.00 0.00 41.25 38.09 2wr2 s ASN 289 CO -0.01 -0.23 0.60 0.28 -3.72 0.00 0.00 177.10 174.02 2wr2 s THR 290 N 1.16 0.01 -0.05 -5.21 -1.32 -1.26 -5.00 115.64 103.97 2wr2 s THR 290 Ca -0.07 -0.05 0.20 0.00 -1.21 0.00 0.00 61.69 60.56 2wr2 s THR 290 Cb -0.20 -1.01 -0.30 0.00 -1.51 0.00 0.00 72.50 69.48 2wr2 s THR 290 CO -0.03 -0.03 0.40 0.41 -2.21 0.00 0.00 174.62 173.16 2wr2 n THR 291 N -0.07 0.16 -2.06 5.08 -1.04 -1.26 -5.03 114.28 110.06 2wr2 n THR 291 Ca -0.17 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 60.96 2wr2 n THR 291 Cb 0.63 -0.03 0.01 0.00 -1.82 0.00 0.00 70.33 69.13 2wr2 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wr2 s LEU 292 N -4.52 3.92 0.40 -4.42 1.43 -1.26 -4.93 118.68 109.29 2wr2 s LEU 292 Ca -0.08 2.48 0.28 0.00 -1.03 0.00 0.00 54.13 55.79 2wr2 s LEU 292 Cb 0.12 -4.29 1.07 0.00 0.03 0.00 0.00 46.19 43.12 2wr2 s LEU 292 CO 0.83 -1.22 1.83 -0.65 0.23 0.00 0.00 176.35 177.36 2wr2 h PRO 293 N 1.71 0.00 -4.17 1.29 0.11 -1.88 -3.42 132.00 125.65 2wr2 h PRO 293 Ca -0.50 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 2wr2 h PRO 293 Cb 1.27 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.21 2wr2 h PRO 293 CO 0.59 0.00 -0.69 -0.06 -0.21 0.00 0.00 178.00 177.63 2wr2 s PHE 294 N -3.44 0.44 0.14 0.65 0.08 -1.24 -0.71 117.98 113.90 2wr2 s PHE 294 Ca 0.04 -0.84 -0.11 0.00 0.12 0.00 0.00 56.93 56.14 2wr2 s PHE 294 Cb 0.09 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.22 2wr2 s PHE 294 CO 0.51 -0.29 0.29 -3.38 -0.10 0.00 0.00 175.22 172.25 2wr2 s HIS 295 N -2.89 0.17 -0.06 0.36 -3.43 -0.73 -1.14 115.29 107.57 2wr2 s HIS 295 Ca -0.02 -0.55 0.21 0.00 -0.80 0.00 0.00 55.06 53.90 2wr2 s HIS 295 Cb 0.00 0.04 0.42 0.00 -1.43 0.00 0.00 32.58 31.61 2wr2 s HIS 295 CO -0.06 -0.68 1.18 0.27 -2.00 0.00 0.00 174.74 173.45 2wr2 n ASN 296 N -0.18 1.21 -0.06 7.38 6.94 -1.06 -1.60 115.26 127.89 2wr2 n ASN 296 Ca -0.11 -2.59 -0.11 0.00 -0.02 0.00 0.00 54.58 51.75 2wr2 n ASN 296 Cb 0.63 -0.37 -0.10 0.00 -2.36 0.00 0.00 39.78 37.58 2wr2 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr2 h ILE 297 N 5.12 1.39 -1.77 1.53 2.04 -1.87 -3.48 117.51 120.47 2wr2 h ILE 297 Ca -0.15 -1.98 0.03 0.00 1.00 0.00 0.00 64.86 63.76 2wr2 h ILE 297 Cb 1.61 2.59 -0.24 0.00 -0.74 0.00 0.00 36.82 40.04 2wr2 h ILE 297 CO 0.07 0.46 0.28 -2.28 0.00 0.00 0.00 178.15 176.68 2wr2 s HIS 298 N -2.24 -0.68 0.33 1.37 5.04 -1.26 -5.02 115.29 112.83 2wr2 s HIS 298 Ca -0.15 1.54 0.10 0.00 -1.54 0.00 0.00 55.06 55.00 2wr2 s HIS 298 Cb -0.02 0.38 0.57 0.00 0.04 0.00 0.00 32.58 33.55 2wr2 s HIS 298 CO 0.55 -0.33 1.75 -1.00 -2.34 0.00 0.00 174.74 173.37 2wr2 h PRO 299 N 5.18 0.12 -4.93 2.88 0.13 -1.98 -3.39 132.00 130.00 2wr2 h PRO 299 Ca -0.29 -0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 64.07 2wr2 h PRO 299 Cb 1.18 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 2wr2 h PRO 299 CO 0.11 0.50 1.36 -0.51 -0.23 0.00 0.00 178.00 179.23 2wr2 s LEU 300 N -8.19 4.90 0.46 1.56 1.43 -1.26 -4.88 118.68 112.70 2wr2 s LEU 300 Ca -0.04 -2.76 0.07 0.00 -1.03 0.00 0.00 54.13 50.37 2wr2 s LEU 300 Cb 0.14 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2wr2 s LEU 300 CO 0.75 -0.85 0.32 0.42 0.23 0.00 0.00 176.35 177.22 2wr2 s THR 301 N 2.08 2.20 -0.12 5.49 -4.23 -1.26 -4.13 115.64 115.67 2wr2 s THR 301 Ca 0.42 -1.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2wr2 s THR 301 Cb -0.02 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.17 2wr2 s THR 301 CO -0.01 0.00 0.25 -0.63 -0.54 0.00 0.00 174.62 173.70 2wr2 s ILE 302 N -2.62 -0.22 -2.05 2.99 1.01 -0.75 -2.08 121.20 117.48 2wr2 s ILE 302 Ca 0.41 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.27 2wr2 s ILE 302 Cb -0.01 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2wr2 s ILE 302 CO 0.24 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2wr2 n GLY 303 N 4.77 0.72 3.34 6.18 0.00 -0.71 -1.28 105.19 118.21 2wr2 n GLY 303 Ca -0.16 -2.12 -0.46 0.00 0.00 0.00 0.00 46.02 43.28 2wr2 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr2 s GLU 304 N -0.82 3.07 0.25 1.61 2.02 -0.45 -0.76 118.70 123.63 2wr2 s GLU 304 Ca 0.00 -1.62 0.08 0.00 0.02 0.00 0.00 54.97 53.46 2wr2 s GLU 304 Cb 0.00 -4.31 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 2wr2 s GLU 304 CO 0.00 -1.42 0.07 0.00 0.02 0.00 0.00 175.26 173.92 2wr2 s PRO 306 N -3.65 2.08 0.07 0.00 0.02 -1.26 -4.87 135.00 127.40 2wr2 s PRO 306 Ca 0.31 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.65 2wr2 s PRO 306 Cb -0.07 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 2wr2 s PRO 306 CO 0.22 -1.85 1.77 0.15 -0.33 0.00 0.00 177.00 176.96 2wr2 s LYS 307 N -4.14 4.16 0.23 5.54 -0.14 0.12 -4.60 119.74 120.91 2wr2 s LYS 307 Ca 0.71 2.46 -0.30 0.00 -1.36 0.00 0.00 55.97 57.48 2wr2 s LYS 307 Cb -0.26 -3.73 -0.09 0.00 -1.68 0.00 0.00 37.83 32.07 2wr2 s LYS 307 CO 0.47 -0.82 1.24 -0.47 -0.76 0.00 0.00 175.35 175.01 2wr2 s TYR 308 N 3.12 3.33 0.02 3.18 5.04 -1.26 -1.77 117.35 129.00 2wr2 s TYR 308 Ca 0.79 1.40 -0.02 0.00 -2.44 0.00 0.00 57.07 56.80 2wr2 s TYR 308 Cb -0.42 -3.51 -0.02 0.00 0.35 0.00 0.00 41.96 38.36 2wr2 s TYR 308 CO 0.35 -1.45 0.00 0.14 -1.34 0.00 0.00 175.55 173.26 2wr2 s VAL 309 N -0.37 0.11 -1.24 3.14 -7.23 -0.63 -4.75 120.40 109.44 2wr2 s VAL 309 Ca 0.52 -0.93 -0.09 0.00 -1.81 0.00 0.00 61.98 59.67 2wr2 s VAL 309 Cb -0.35 -0.38 0.19 0.00 0.56 0.00 0.00 36.38 36.40 2wr2 s VAL 309 CO 0.41 -0.51 1.76 1.17 -0.31 0.00 0.00 175.10 177.62 2wr2 n LYS 310 N 1.46 3.74 -3.97 4.82 4.81 -1.26 -4.45 118.16 123.31 2wr2 n LYS 310 Ca -0.23 -3.74 -0.09 0.00 -0.87 0.00 0.00 58.31 53.38 2wr2 n LYS 310 Cb 0.56 -2.86 -0.11 0.00 0.02 0.00 0.00 35.03 32.63 2wr2 n LYS 310 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wr2 s SER 311 N 0.60 0.24 -0.01 3.14 0.15 -1.26 -5.04 113.70 111.53 2wr2 s SER 311 Ca 0.38 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.66 2wr2 s SER 311 Cb 0.07 0.09 0.24 0.00 -1.71 0.00 0.00 66.02 64.71 2wr2 s SER 311 CO 0.02 -0.27 1.20 0.47 1.20 0.00 0.00 173.24 175.86 2wr2 n ASP 312 N 1.73 2.73 0.00 5.45 8.00 -1.26 -4.76 116.55 128.43 2wr2 n ASP 312 Ca -0.23 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.22 2wr2 n ASP 312 Cb 0.55 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2wr2 n ASP 312 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2wr2 n ARG 313 N 0.21 0.00 -3.60 -1.24 0.63 -1.26 -5.11 116.66 106.28 2wr2 n ARG 313 Ca 0.09 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.73 2wr2 n ARG 313 Cb 0.40 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.18 2wr2 n ARG 313 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2wr2 s LEU 314 N 0.00 1.84 -0.21 6.15 1.43 -1.26 -5.04 118.68 121.58 2wr2 s LEU 314 Ca 0.00 -2.27 -0.05 0.00 -1.03 0.00 0.00 54.13 50.78 2wr2 s LEU 314 Cb 0.00 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2wr2 s LEU 314 CO 0.00 -0.31 0.00 -0.69 0.23 0.00 0.00 176.35 175.59 2wr2 s VAL 315 N 0.87 3.90 -0.05 -1.59 1.01 -1.26 -1.46 120.40 121.82 2wr2 s VAL 315 Ca 0.16 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 2wr2 s VAL 315 Cb -0.23 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2wr2 s VAL 315 CO -0.04 0.41 0.52 -0.76 0.00 0.00 0.00 175.10 175.23 2wr2 s LEU 316 N 1.22 4.37 0.16 3.92 1.43 0.68 -4.73 118.68 125.73 2wr2 s LEU 316 Ca 0.03 1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 53.83 2wr2 s LEU 316 Cb -0.15 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 2wr2 s LEU 316 CO 0.01 0.09 1.36 0.00 0.23 0.00 0.00 176.35 178.04 2wr2 s ALA 317 N 0.01 3.56 -0.07 4.21 0.00 -1.26 -0.35 121.76 127.86 2wr2 s ALA 317 Ca 0.28 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.36 2wr2 s ALA 317 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2wr2 s ALA 317 CO 0.14 -0.59 -0.07 0.25 0.00 0.00 0.00 175.76 175.49 2wr2 n THR 318 N 3.32 0.41 -1.19 0.00 -2.24 -0.82 -4.87 114.28 108.89 2wr2 n THR 318 Ca 0.09 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2wr2 n THR 318 Cb 0.42 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2wr2 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 319 N 3.04 -0.44 4.03 3.38 0.00 -0.83 -4.96 105.19 109.41 2wr2 n GLY 319 Ca -0.13 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 2wr2 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr2 s LEU 320 N 0.00 3.14 0.14 0.99 2.34 -1.26 -4.72 118.68 119.31 2wr2 s LEU 320 Ca 0.00 -0.78 -0.33 0.00 0.06 0.00 0.00 54.13 53.08 2wr2 s LEU 320 Cb 0.00 -1.74 -0.12 0.00 -0.56 0.00 0.00 46.19 43.76 2wr2 s LEU 320 CO 0.00 -1.33 1.72 -1.14 -1.06 0.00 0.00 176.35 174.54 2wr2 n ARG 321 N -2.25 2.49 -2.77 1.48 0.63 -1.26 -1.10 116.66 113.87 2wr2 n ARG 321 Ca 0.15 0.90 -0.43 0.00 -0.92 0.00 0.00 57.85 57.55 2wr2 n ARG 321 Cb 0.61 -2.73 -0.04 0.00 0.45 0.00 0.00 32.46 30.75 2wr2 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr2 s ASN 322 N 1.79 6.47 -0.60 6.15 2.47 0.44 -4.75 114.94 126.91 2wr2 s ASN 322 Ca 0.80 0.05 0.06 0.00 0.42 0.00 0.00 52.86 54.20 2wr2 s ASN 322 Cb -0.58 -2.47 0.27 0.00 -1.45 0.00 0.00 41.25 37.02 2wr2 s ASN 322 CO 0.38 -1.16 0.77 0.52 -3.72 0.00 0.00 177.10 173.89 2wr2 n VAL 323 N 6.45 2.17 -1.79 -5.21 0.31 -1.26 -4.87 118.33 114.12 2wr2 n VAL 323 Ca 0.06 -5.17 -0.36 0.00 -0.01 0.00 0.00 64.34 58.87 2wr2 n VAL 323 Cb 0.48 -1.91 0.06 0.00 -0.91 0.00 0.00 33.84 31.56 2wr2 n VAL 323 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wr2 s PRO 324 N -2.56 2.65 0.38 5.55 0.02 -1.26 -0.74 135.00 139.05 2wr2 s PRO 324 Ca 0.41 1.85 0.08 0.00 0.02 0.00 0.00 61.00 63.36 2wr2 s PRO 324 Cb 0.18 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.74 2wr2 s PRO 324 CO -0.05 -1.46 -0.02 -0.65 -0.33 0.00 0.00 177.00 174.50 2wr2 s GLN 325 N -3.52 1.94 0.00 5.54 -0.21 -1.26 -4.83 119.66 117.31 2wr2 s GLN 325 Ca 0.77 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 54.15 2wr2 s GLN 325 Cb -0.31 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2wr2 s GLN 325 CO 0.38 0.03 0.55 0.44 -2.12 0.00 0.00 175.29 174.57 2wr2 n ILE 326 N -0.93 0.24 0.00 1.08 -5.35 -1.26 -5.00 119.36 108.14 2wr2 n ILE 326 Ca -0.05 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2wr2 n ILE 326 Cb 0.65 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 2wr2 n ILE 326 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wr2 n GLY 330 N -1.05 4.40 0.47 3.28 0.00 -1.26 -5.18 105.19 105.84 2wr2 n GLY 330 Ca 0.00 -1.04 0.28 0.00 0.00 0.00 0.00 46.02 45.26 2wr2 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr2 h LEU 331 N 0.00 0.17 0.00 0.99 4.07 -1.95 -2.00 115.31 116.59 2wr2 h LEU 331 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2wr2 h LEU 331 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2wr2 h LEU 331 CO 0.00 0.04 -1.18 0.49 -1.08 0.00 0.00 178.44 176.71 2wr2 n PHE 332 N -4.37 0.00 -0.99 1.13 3.72 -1.26 -4.99 117.46 110.70 2wr2 n PHE 332 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2wr2 n PHE 332 Cb 1.01 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2wr2 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr2 n GLY 333 N 1.45 0.52 0.00 1.37 0.00 -0.75 -4.93 105.19 102.85 2wr2 n GLY 333 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wr2 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 n ALA 334 N 1.00 0.00 -1.67 4.61 0.00 -1.26 -0.84 120.51 122.35 2wr2 n ALA 334 Ca 0.00 -0.03 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 2wr2 n ALA 334 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2wr2 n ALA 334 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wr2 n ILE 335 N -1.39 0.45 -2.36 0.00 5.41 -1.26 -1.09 119.36 119.12 2wr2 n ILE 335 Ca 0.00 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.52 2wr2 n ILE 335 Cb 0.00 -1.52 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 2wr2 n ILE 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wr2 n ALA 336 N 2.70 -0.74 -2.27 -1.39 0.00 -1.18 -4.66 120.51 112.96 2wr2 n ALA 336 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wr2 n ALA 336 Cb 0.30 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2wr2 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr2 n GLY 337 N -0.74 3.63 0.15 0.00 0.00 -0.25 -4.94 105.19 103.03 2wr2 n GLY 337 Ca -0.14 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.61 2wr2 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr2 h PHE 338 N 0.00 0.00 -3.45 1.61 -5.15 -0.77 -3.25 116.94 105.93 2wr2 h PHE 338 Ca 0.00 0.00 -0.71 0.00 -0.20 0.00 0.00 57.97 57.06 2wr2 h PHE 338 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 35.95 35.85 2wr2 h PHE 338 CO 0.00 0.00 -0.51 0.42 -2.00 0.00 0.00 178.31 176.22 2wr2 s ILE 339 N -3.33 3.69 0.27 0.88 1.01 -0.94 -3.12 121.20 119.66 2wr2 s ILE 339 Ca 0.05 -1.80 0.24 0.00 0.00 0.00 0.00 60.65 59.13 2wr2 s ILE 339 Cb 0.10 -3.41 0.23 0.00 0.01 0.00 0.00 42.46 39.39 2wr2 s ILE 339 CO 0.44 -0.63 1.91 1.05 0.00 0.00 0.00 174.94 177.72 2wr2 h GLU 340 N 8.22 0.00 -3.68 2.79 4.11 -1.81 -3.12 114.58 121.08 2wr2 h GLU 340 Ca -0.18 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.18 2wr2 h GLU 340 Cb 1.06 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 2wr2 h GLU 340 CO 0.74 0.22 -0.19 0.20 0.07 0.00 0.00 179.01 180.05 2wr2 s GLY 341 N -4.26 0.34 0.68 1.06 0.00 -1.26 -4.29 107.32 99.58 2wr2 s GLY 341 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.95 2wr2 s GLY 341 CO 0.63 -0.64 0.98 -0.32 0.00 0.00 0.00 173.10 173.75 2wr2 s GLY 342 N -2.95 1.71 -0.26 0.20 0.00 0.09 -4.67 107.32 101.43 2wr2 s GLY 342 Ca 0.16 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 2wr2 s GLY 342 CO 0.01 -0.60 0.03 -0.98 0.00 0.00 0.00 173.10 171.56 2wr2 s TRP 343 N -3.17 3.06 0.14 1.90 0.51 0.21 -4.23 118.94 117.37 2wr2 s TRP 343 Ca 0.60 -0.87 0.14 0.00 -2.12 0.00 0.00 56.10 53.85 2wr2 s TRP 343 Cb -0.11 -2.19 0.36 0.00 -0.81 0.00 0.00 33.47 30.73 2wr2 s TRP 343 CO 0.44 -0.52 1.59 1.96 -0.51 0.00 0.00 176.95 179.90 2wr2 h GLN 344 N 8.18 0.00 0.00 4.98 4.20 -1.87 -2.42 115.11 128.18 2wr2 h GLN 344 Ca -0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2wr2 h GLN 344 Cb 1.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 2wr2 h GLN 344 CO 0.59 0.56 -0.06 0.78 -0.67 0.00 0.00 178.83 180.03 2wr2 h GLY 345 N 2.35 0.00 -7.45 3.46 0.00 -1.93 -3.39 103.07 96.10 2wr2 h GLY 345 Ca -0.01 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.62 2wr2 h GLY 345 CO 0.07 0.00 0.54 -0.29 0.00 0.00 0.00 176.54 176.86 2wr2 s MET 346 N -3.85 3.45 -0.00 4.80 -2.45 -1.20 -4.84 119.30 115.21 2wr2 s MET 346 Ca -0.01 -1.72 0.19 0.00 -1.25 0.00 0.00 55.69 52.90 2wr2 s MET 346 Cb 0.11 -4.64 -0.21 0.00 1.25 0.00 0.00 34.83 31.33 2wr2 s MET 346 CO 0.55 -1.65 0.78 1.33 1.05 0.00 0.00 175.02 177.08 2wr2 n VAL 347 N 5.27 0.00 -0.64 10.11 0.24 -1.26 -4.41 118.33 127.64 2wr2 n VAL 347 Ca 0.13 -0.08 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 2wr2 n VAL 347 Cb 0.47 0.93 0.31 0.00 -1.47 0.00 0.00 33.84 34.08 2wr2 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr2 n ASP 348 N -1.50 4.33 -3.73 -1.34 5.75 -1.26 -4.98 116.55 113.82 2wr2 n ASP 348 Ca 0.03 -2.51 -0.03 0.00 -0.01 0.00 0.00 54.79 52.27 2wr2 n ASP 348 Cb 0.31 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 2wr2 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr2 s GLY 349 N -1.13 -0.26 -0.07 6.12 0.00 -1.26 -4.82 107.32 105.89 2wr2 s GLY 349 Ca 0.45 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 2wr2 s GLY 349 CO 0.19 0.03 0.59 1.49 0.00 0.00 0.00 173.10 175.41 2wr2 h TRP 350 N 2.00 0.63 -3.43 1.90 6.55 -1.90 -3.41 115.95 118.29 2wr2 h TRP 350 Ca -0.25 -0.46 -0.43 0.00 0.95 0.00 0.00 58.89 58.70 2wr2 h TRP 350 Cb 1.23 -0.03 -0.17 0.00 -0.86 0.00 0.00 29.16 29.33 2wr2 h TRP 350 CO 0.37 1.68 -0.76 0.71 -1.05 0.00 0.00 178.44 179.39 2wr2 s TYR 351 N -2.55 1.50 0.00 0.49 2.02 -1.26 -0.51 117.35 117.04 2wr2 s TYR 351 Ca -0.18 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 2wr2 s TYR 351 Cb 0.05 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 2wr2 s TYR 351 CO 0.82 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 175.41 2wr2 n GLY 352 N 0.32 0.89 3.23 0.71 0.00 -0.48 -0.79 105.19 109.06 2wr2 n GLY 352 Ca -0.14 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 2wr2 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 353 N -2.07 1.40 -0.03 1.61 2.02 0.78 -1.31 117.35 119.74 2wr2 s TYR 353 Ca 0.00 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 2wr2 s TYR 353 Cb 0.00 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 2wr2 s TYR 353 CO 0.00 0.13 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.34 2wr2 s HIS 354 N -1.73 1.80 0.11 2.71 5.65 0.18 -0.56 115.29 123.45 2wr2 s HIS 354 Ca 0.05 -0.45 0.04 0.00 0.25 0.00 0.00 55.06 54.95 2wr2 s HIS 354 Cb -0.07 -1.19 -0.04 0.00 -1.18 0.00 0.00 32.58 30.10 2wr2 s HIS 354 CO 0.03 -0.12 -0.10 -3.38 -0.65 0.00 0.00 174.74 170.52 2wr2 s HIS 355 N -0.18 1.10 -0.04 3.88 -0.00 0.40 0.41 115.29 120.85 2wr2 s HIS 355 Ca 0.01 -0.68 -0.02 0.00 -0.00 0.00 0.00 55.06 54.37 2wr2 s HIS 355 Cb -0.10 -0.59 0.03 0.00 -0.00 0.00 0.00 32.58 31.92 2wr2 s HIS 355 CO 0.01 0.01 0.07 -1.12 -0.00 0.00 0.00 174.74 173.72 2wr2 s SER 356 N -2.58 0.81 0.00 7.38 0.01 -0.38 -4.18 113.70 114.76 2wr2 s SER 356 Ca 0.08 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2wr2 s SER 356 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2wr2 s SER 356 CO -0.00 -0.22 0.00 -0.46 0.41 0.00 0.00 173.24 172.97 2wr2 n ASN 357 N 5.03 0.00 -0.34 2.44 0.23 -0.49 -1.55 115.26 120.59 2wr2 n ASN 357 Ca -0.09 -0.81 -0.03 0.00 -0.53 0.00 0.00 54.58 53.12 2wr2 n ASN 357 Cb 0.50 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.31 2wr2 n ASN 357 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr2 h ASP 358 N 0.00 1.11 0.56 0.53 3.32 -2.01 -2.31 116.42 117.63 2wr2 h ASP 358 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2wr2 h ASP 358 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 2wr2 h ASP 358 CO 0.00 0.86 0.00 0.00 -1.72 0.00 0.00 179.24 178.38 2wr2 n GLN 359 N -4.35 0.14 0.00 3.56 6.02 -1.26 -5.00 117.38 116.49 2wr2 n GLN 359 Ca 0.10 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2wr2 n GLN 359 Cb 0.06 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.82 2wr2 n GLN 359 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wr2 n GLY 360 N 0.57 0.33 3.59 1.08 0.00 -0.87 -5.11 105.19 104.80 2wr2 n GLY 360 Ca 0.07 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 2wr2 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr2 s SER 361 N -4.00 -0.24 0.00 1.61 1.04 -1.26 -1.39 113.70 109.46 2wr2 s SER 361 Ca 0.00 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2wr2 s SER 361 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2wr2 s SER 361 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2wr2 n GLY 362 N 0.49 0.00 3.81 7.32 0.00 -1.26 -5.05 105.19 110.50 2wr2 n GLY 362 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2wr2 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 363 N 0.00 3.71 -0.24 1.61 2.02 -1.26 -0.46 117.35 122.73 2wr2 s TYR 363 Ca 0.00 1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 57.67 2wr2 s TYR 363 Cb 0.00 -2.38 0.11 0.00 -0.40 0.00 0.00 41.96 39.29 2wr2 s TYR 363 CO 0.00 0.55 0.51 0.00 -1.57 0.00 0.00 175.55 175.04 2wr2 s ALA 364 N -0.80 -1.55 0.43 3.71 0.00 0.28 -4.99 121.76 118.84 2wr2 s ALA 364 Ca 0.25 1.80 -0.26 0.00 0.00 0.00 0.00 51.96 53.75 2wr2 s ALA 364 Cb -0.17 -1.56 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 2wr2 s ALA 364 CO 0.14 -0.89 1.43 0.00 0.00 0.00 0.00 175.76 176.45 2wr2 s ALA 365 N 2.73 3.32 -0.35 0.00 0.00 -1.26 -0.16 121.76 126.05 2wr2 s ALA 365 Ca -0.01 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 2wr2 s ALA 365 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2wr2 s ALA 365 CO -0.16 -1.13 0.69 0.34 0.00 0.00 0.00 175.76 175.50 2wr2 s ASP 366 N -0.44 6.49 0.23 0.00 2.15 0.03 -4.83 116.67 120.30 2wr2 s ASP 366 Ca 0.59 0.28 0.05 0.00 0.43 0.00 0.00 52.55 53.90 2wr2 s ASP 366 Cb -0.44 -2.35 0.23 0.00 -0.30 0.00 0.00 42.92 40.06 2wr2 s ASP 366 CO 0.57 -0.62 1.55 0.11 -0.17 0.00 0.00 175.17 176.61 2wr2 h LYS 367 N 8.40 0.21 0.39 4.34 1.79 -1.93 -2.55 116.57 127.22 2wr2 h LYS 367 Ca -0.26 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.04 2wr2 h LYS 367 Cb 1.11 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2wr2 h LYS 367 CO 0.86 0.77 -0.19 1.49 -1.08 0.00 0.00 179.45 181.30 2wr2 h GLU 368 N 0.15 -0.51 -0.56 3.15 4.81 -1.95 -0.77 114.58 118.91 2wr2 h GLU 368 Ca -0.01 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2wr2 h GLU 368 Cb 1.14 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2wr2 h GLU 368 CO 0.10 -0.31 0.20 0.66 -0.73 0.00 0.00 179.01 178.93 2wr2 h SER 369 N -1.12 0.74 -0.30 1.04 4.64 -1.96 -1.23 113.55 115.36 2wr2 h SER 369 Ca -0.05 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2wr2 h SER 369 Cb 0.43 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2wr2 h SER 369 CO 0.09 0.68 0.13 0.74 -0.87 0.00 0.00 176.83 177.60 2wr2 h THR 370 N 0.80 0.95 -0.13 2.95 2.02 -1.50 -1.43 112.91 116.57 2wr2 h THR 370 Ca 0.19 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.16 2wr2 h THR 370 Cb 0.19 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2wr2 h THR 370 CO -0.01 0.05 -0.43 -0.61 0.37 0.00 0.00 175.52 174.88 2wr2 h GLN 371 N 0.28 0.31 -0.74 6.66 5.75 -0.78 -0.77 115.11 125.82 2wr2 h GLN 371 Ca 0.13 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2wr2 h GLN 371 Cb 0.07 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 2wr2 h GLN 371 CO -0.11 0.69 0.42 -0.22 -2.65 0.00 0.00 178.83 176.96 2wr2 h LYS 372 N 0.26 1.02 -0.30 1.69 3.64 -0.99 -0.37 116.57 121.51 2wr2 h LYS 372 Ca 0.02 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 2wr2 h LYS 372 Cb 0.87 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2wr2 h LYS 372 CO 0.07 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 178.00 2wr2 h ALA 373 N 1.22 0.41 -0.05 5.00 0.00 -0.80 0.66 119.26 125.70 2wr2 h ALA 373 Ca 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wr2 h ALA 373 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wr2 h ALA 373 CO -0.05 0.15 -0.06 0.27 0.00 0.00 0.00 179.25 179.57 2wr2 h PHE 374 N 0.33 -0.15 -0.57 0.00 -0.00 -0.99 -0.96 116.94 114.61 2wr2 h PHE 374 Ca 0.09 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 58.03 2wr2 h PHE 374 Cb 0.43 0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 36.43 2wr2 h PHE 374 CO 0.03 -0.10 0.20 -0.44 -0.00 0.00 0.00 178.31 178.01 2wr2 h ASP 375 N -0.08 0.77 0.18 -0.68 3.32 -0.96 -1.97 116.42 116.99 2wr2 h ASP 375 Ca 0.04 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2wr2 h ASP 375 Cb 0.14 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2wr2 h ASP 375 CO -0.10 0.71 -0.09 1.23 -1.72 0.00 0.00 179.24 179.27 2wr2 h GLY 376 N 0.96 -0.25 0.94 2.75 0.00 -0.51 -2.33 103.07 104.62 2wr2 h GLY 376 Ca 0.19 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 2wr2 h GLY 376 CO -0.01 -0.09 0.10 -2.22 0.00 0.00 0.00 176.54 174.32 2wr2 h ILE 377 N -0.61 1.22 -0.61 2.60 5.03 -1.15 -1.20 117.51 122.79 2wr2 h ILE 377 Ca -0.02 -0.76 0.12 0.00 -0.12 0.00 0.00 64.86 64.07 2wr2 h ILE 377 Cb 0.45 0.97 -0.09 0.00 -3.03 0.00 0.00 36.82 35.12 2wr2 h ILE 377 CO 0.04 0.27 0.11 0.74 -0.68 0.00 0.00 178.15 178.62 2wr2 h THR 378 N 0.50 0.60 -0.73 -0.27 2.02 -1.44 -0.82 112.91 112.78 2wr2 h THR 378 Ca 0.13 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.26 2wr2 h THR 378 Cb 0.30 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2wr2 h THR 378 CO -0.00 0.04 0.46 0.78 0.37 0.00 0.00 175.52 177.18 2wr2 h ASN 379 N 0.23 0.76 -0.29 4.18 2.35 -0.93 -0.73 115.58 121.15 2wr2 h ASN 379 Ca 0.32 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 2wr2 h ASN 379 Cb 0.50 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2wr2 h ASN 379 CO -0.43 0.53 0.01 0.50 -1.65 0.00 0.00 177.43 176.38 2wr2 h LYS 380 N 0.91 0.51 -0.44 0.81 3.64 -0.22 0.16 116.57 121.93 2wr2 h LYS 380 Ca 0.29 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2wr2 h LYS 380 Cb 0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2wr2 h LYS 380 CO -0.11 0.65 0.18 0.28 -2.27 0.00 0.00 179.45 178.18 2wr2 h VAL 381 N 0.31 1.20 -0.62 2.00 2.07 -1.15 -2.39 116.25 117.67 2wr2 h VAL 381 Ca 0.08 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2wr2 h VAL 381 Cb 0.42 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2wr2 h VAL 381 CO 0.01 0.23 0.21 0.78 0.02 0.00 0.00 177.57 178.83 2wr2 h ASN 382 N 0.57 0.86 0.20 0.57 -0.26 -0.93 -1.97 115.58 114.62 2wr2 h ASN 382 Ca 0.15 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2wr2 h ASN 382 Cb 0.19 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2wr2 h ASN 382 CO -0.01 0.80 -0.15 0.28 -1.06 0.00 0.00 177.43 177.29 2wr2 h SER 383 N 0.91 -0.38 -0.47 5.81 0.02 -0.48 0.22 113.55 119.19 2wr2 h SER 383 Ca 0.21 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2wr2 h SER 383 Cb 0.23 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2wr2 h SER 383 CO -0.01 -0.23 0.31 0.58 -1.14 0.00 0.00 176.83 176.33 2wr2 h VAL 384 N -0.35 1.12 0.02 2.27 2.07 -1.24 -2.72 116.25 117.42 2wr2 h VAL 384 Ca -0.01 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.08 2wr2 h VAL 384 Cb 0.31 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2wr2 h VAL 384 CO -0.01 0.12 -1.12 0.40 0.02 0.00 0.00 177.57 176.98 2wr2 h ILE 385 N 0.63 1.04 0.00 4.57 2.04 -1.21 -3.40 117.51 121.18 2wr2 h ILE 385 Ca 0.17 -2.23 -0.10 0.00 1.00 0.00 0.00 64.86 63.70 2wr2 h ILE 385 Cb -0.07 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2wr2 h ILE 385 CO -0.04 0.42 -0.46 -0.33 0.00 0.00 0.00 178.15 177.74 2wr2 h GLU 386 N -0.89 0.00 0.00 2.37 4.39 -0.57 -3.05 114.58 116.84 2wr2 h GLU 386 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2wr2 h GLU 386 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2wr2 h GLU 386 CO -0.14 0.46 0.00 1.63 -1.16 0.00 0.00 179.01 179.80 2wr2 n LYS 387 N -3.74 0.41 -2.70 2.33 4.76 -1.03 -4.77 118.16 113.42 2wr2 n LYS 387 Ca -0.01 0.06 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 2wr2 n LYS 387 Cb 0.53 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 2wr2 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr2 s MET 388 N -2.46 4.36 0.37 1.97 1.75 -1.15 -5.02 119.30 119.11 2wr2 s MET 388 Ca 0.24 1.35 -0.26 0.00 -1.25 0.00 0.00 55.69 55.78 2wr2 s MET 388 Cb 0.16 -3.58 -0.09 0.00 2.84 0.00 0.00 34.83 34.16 2wr2 s MET 388 CO 0.34 -0.42 1.10 1.21 -0.65 0.00 0.00 175.02 176.60 2wr2 s ASN 389 N 1.14 6.80 -0.39 1.11 3.04 -1.26 -5.03 114.94 120.34 2wr2 s ASN 389 Ca 0.46 2.19 0.03 0.00 0.04 0.00 0.00 52.86 55.58 2wr2 s ASN 389 Cb -0.17 -2.60 0.16 0.00 -1.54 0.00 0.00 41.25 37.09 2wr2 s ASN 389 CO 0.14 -0.47 0.34 0.28 -3.04 0.00 0.00 177.10 174.34 2wr2 s THR 390 N -1.46 0.01 0.17 -5.21 -1.32 -1.26 -4.94 115.64 101.63 2wr2 s THR 390 Ca 0.54 -1.85 0.04 0.00 -1.21 0.00 0.00 61.69 59.21 2wr2 s THR 390 Cb -0.27 -0.97 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 2wr2 s THR 390 CO 0.34 -0.92 0.26 0.00 -2.21 0.00 0.00 174.62 172.10 2wr2 s GLN 391 N 0.74 3.32 0.24 7.08 -2.07 -1.26 -4.88 119.66 122.83 2wr2 s GLN 391 Ca 0.25 -0.69 -0.31 0.00 -1.82 0.00 0.00 55.36 52.79 2wr2 s GLN 391 Cb -0.09 -2.88 -0.11 0.00 -1.09 0.00 0.00 33.01 28.85 2wr2 s GLN 391 CO -0.08 0.50 1.55 0.12 -1.32 0.00 0.00 175.29 176.06 2wr2 s PHE 392 N -1.79 2.93 -0.09 9.60 5.36 -1.26 -4.49 117.98 128.23 2wr2 s PHE 392 Ca 0.34 0.77 -0.09 0.00 -0.96 0.00 0.00 56.93 56.99 2wr2 s PHE 392 Cb -0.10 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.64 2wr2 s PHE 392 CO 0.27 -3.34 0.25 -1.21 -1.46 0.00 0.00 175.22 169.74 2wr2 s GLU 393 N 0.14 0.30 -0.37 10.12 0.41 0.06 -4.95 118.70 124.42 2wr2 s GLU 393 Ca 0.65 0.33 -0.00 0.00 -0.41 0.00 0.00 54.97 55.54 2wr2 s GLU 393 Cb -0.45 0.15 0.10 0.00 -1.78 0.00 0.00 34.13 32.14 2wr2 s GLU 393 CO 0.40 -0.04 0.12 0.00 -0.49 0.00 0.00 175.26 175.25 2wr2 s ALA 394 N 0.09 3.01 -0.01 5.21 0.00 -1.26 -1.74 121.76 127.06 2wr2 s ALA 394 Ca -0.00 -2.41 -0.22 0.00 0.00 0.00 0.00 51.96 49.33 2wr2 s ALA 394 Cb -0.02 -2.18 -0.12 0.00 0.00 0.00 0.00 23.12 20.80 2wr2 s ALA 394 CO 0.00 -1.67 0.93 0.28 0.00 0.00 0.00 175.76 175.30 2wr2 h VAL 395 N 6.47 0.00 -2.16 0.00 2.07 -1.76 -3.45 116.25 117.42 2wr2 h VAL 395 Ca -0.11 -0.40 -0.60 0.00 0.82 0.00 0.00 66.70 66.40 2wr2 h VAL 395 Cb 1.04 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 30.87 2wr2 h VAL 395 CO 0.61 0.00 0.71 0.61 0.02 0.00 0.00 177.57 179.52 2wr2 n GLY 396 N -0.27 0.96 3.49 2.17 0.00 -1.26 -5.00 105.19 105.29 2wr2 n GLY 396 Ca -0.10 0.66 -0.24 0.00 0.00 0.00 0.00 46.02 46.34 2wr2 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr2 s LYS 397 N 0.75 1.70 -0.14 1.61 -0.14 -1.26 -4.50 119.74 117.77 2wr2 s LYS 397 Ca 0.79 -1.89 -0.02 0.00 -1.36 0.00 0.00 55.97 53.49 2wr2 s LYS 397 Cb -0.74 -1.34 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 2wr2 s LYS 397 CO 0.40 0.03 -0.08 -1.21 -0.76 0.00 0.00 175.35 173.73 2wr2 s GLU 398 N -3.71 3.46 -0.01 1.68 0.41 -1.26 -5.08 118.70 114.19 2wr2 s GLU 398 Ca 0.32 -0.59 0.01 0.00 -0.41 0.00 0.00 54.97 54.30 2wr2 s GLU 398 Cb 0.05 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 2wr2 s GLU 398 CO 0.15 0.28 -0.03 -0.06 -0.49 0.00 0.00 175.26 175.10 2wr2 s PHE 399 N 0.23 0.37 0.94 1.61 0.08 -1.26 -4.97 117.98 114.99 2wr2 s PHE 399 Ca -0.05 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 2wr2 s PHE 399 Cb -0.15 -0.29 0.15 0.00 -0.57 0.00 0.00 43.02 42.17 2wr2 s PHE 399 CO 0.04 -0.04 1.10 -1.54 -0.10 0.00 0.00 175.22 174.67 2wr2 s SER 400 N 0.20 3.14 0.00 1.36 1.04 -1.26 -4.90 113.70 113.27 2wr2 s SER 400 Ca -0.02 1.27 0.18 0.00 0.48 0.00 0.00 55.95 57.87 2wr2 s SER 400 Cb -0.05 -1.94 1.08 0.00 0.10 0.00 0.00 66.02 65.21 2wr2 s SER 400 CO -0.00 -2.82 1.61 -0.46 0.98 0.00 0.00 173.24 172.55 2wr2 n ASN 401 N -3.98 0.00 -1.14 7.02 0.23 -1.26 -1.50 115.26 114.63 2wr2 n ASN 401 Ca 0.06 -1.19 0.08 0.00 -0.53 0.00 0.00 54.58 53.00 2wr2 n ASN 401 Cb 0.57 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.56 2wr2 n ASN 401 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2wr2 n LEU 402 N -0.82 4.34 -1.52 -4.53 4.77 -1.26 -4.41 117.00 113.56 2wr2 n LEU 402 Ca 0.14 -3.00 -0.03 0.00 -0.03 0.00 0.00 56.01 53.09 2wr2 n LEU 402 Cb 0.06 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.67 2wr2 n LEU 402 CO 0.10 0.66 0.19 -0.62 -1.33 0.00 0.00 177.39 176.40 2wr2 n GLU 403 N -0.23 1.80 -0.01 3.23 1.02 -0.56 -4.84 120.64 121.05 2wr2 n GLU 403 Ca 0.23 -3.28 0.01 0.00 -0.02 0.00 0.00 57.16 54.09 2wr2 n GLU 403 Cb 0.97 -1.44 0.32 0.00 -0.02 0.00 0.00 31.44 31.27 2wr2 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr2 h ARG 404 N 1.57 0.54 -0.36 3.49 2.47 -1.77 -0.30 114.38 120.01 2wr2 h ARG 404 Ca 0.03 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 2wr2 h ARG 404 Cb 1.38 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2wr2 h ARG 404 CO 0.25 0.52 -0.13 0.00 0.56 0.00 0.00 179.97 181.17 2wr2 h ARG 405 N 0.53 0.73 -0.68 0.04 3.08 -1.95 0.27 114.38 116.40 2wr2 h ARG 405 Ca 0.12 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2wr2 h ARG 405 Cb 0.24 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2wr2 h ARG 405 CO -0.00 0.90 0.25 1.25 -1.07 0.00 0.00 179.97 181.29 2wr2 h LEU 406 N 0.52 0.95 -0.40 3.04 5.85 -1.87 -0.60 115.31 122.80 2wr2 h LEU 406 Ca 0.09 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2wr2 h LEU 406 Cb 0.65 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2wr2 h LEU 406 CO 0.04 0.88 0.20 -0.08 -0.34 0.00 0.00 178.44 179.15 2wr2 h GLU 407 N 0.97 0.57 -0.35 1.25 4.81 -0.75 -1.75 114.58 119.33 2wr2 h GLU 407 Ca 0.22 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2wr2 h GLU 407 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2wr2 h GLU 407 CO -0.01 0.49 0.14 -0.97 -0.73 0.00 0.00 179.01 177.93 2wr2 h ASN 408 N 0.51 0.44 -0.31 1.04 -1.24 -0.17 -0.95 115.58 114.90 2wr2 h ASN 408 Ca 0.14 -0.04 -0.17 0.00 0.71 0.00 0.00 56.30 56.94 2wr2 h ASN 408 Cb 0.10 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2wr2 h ASN 408 CO -0.02 0.40 -0.45 0.25 -1.29 0.00 0.00 177.43 176.33 2wr2 h LEU 409 N 0.49 0.94 -0.69 0.34 5.85 -0.73 -0.30 115.31 121.21 2wr2 h LEU 409 Ca 0.12 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2wr2 h LEU 409 Cb 0.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2wr2 h LEU 409 CO -0.01 1.26 0.44 -1.13 -0.34 0.00 0.00 178.44 178.66 2wr2 h ASN 410 N 0.65 0.80 -0.57 1.25 -1.24 -1.02 -1.97 115.58 113.48 2wr2 h ASN 410 Ca 0.03 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2wr2 h ASN 410 Cb 1.05 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 2wr2 h ASN 410 CO 0.10 0.60 0.14 0.50 -1.29 0.00 0.00 177.43 177.48 2wr2 h LYS 411 N 0.93 0.96 0.00 6.67 3.64 -0.99 -2.41 116.57 125.37 2wr2 h LYS 411 Ca 0.25 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2wr2 h LYS 411 Cb -0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2wr2 h LYS 411 CO -0.05 0.86 -0.37 -0.22 -2.27 0.00 0.00 179.45 177.39 2wr2 h LYS 412 N 0.91 0.00 -0.02 1.90 3.64 -0.65 -1.32 116.57 121.03 2wr2 h LYS 412 Ca 0.19 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 2wr2 h LYS 412 Cb 0.34 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2wr2 h LYS 412 CO 0.00 0.37 -0.60 1.98 -2.27 0.00 0.00 179.45 178.94 2wr2 h MET 413 N 0.00 0.44 -0.54 1.90 4.05 -1.11 -2.31 114.93 117.36 2wr2 h MET 413 Ca -0.00 -0.45 -0.10 0.00 -0.28 0.00 0.00 59.70 58.86 2wr2 h MET 413 Cb 0.69 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2wr2 h MET 413 CO 0.05 1.10 -0.08 0.93 0.23 0.00 0.00 176.91 179.14 2wr2 h GLU 414 N -0.04 0.99 -0.55 0.39 4.39 -1.23 -2.04 114.58 116.48 2wr2 h GLU 414 Ca -0.07 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 2wr2 h GLU 414 Cb 1.29 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2wr2 h GLU 414 CO 0.12 1.02 0.18 -0.44 -1.16 0.00 0.00 179.01 178.73 2wr2 h ASP 415 N 0.89 0.75 0.23 1.42 3.32 -1.32 -1.42 116.42 120.28 2wr2 h ASP 415 Ca 0.15 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wr2 h ASP 415 Cb 0.62 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2wr2 h ASP 415 CO 0.04 0.70 -0.11 1.23 -1.72 0.00 0.00 179.24 179.38 2wr2 h GLY 416 N 0.94 -0.32 1.01 2.75 0.00 -0.89 -1.51 103.07 105.05 2wr2 h GLY 416 Ca 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2wr2 h GLY 416 CO -0.01 -0.12 0.43 0.74 0.00 0.00 0.00 176.54 177.58 2wr2 h PHE 417 N -0.53 1.02 -0.07 5.60 0.04 -1.39 -1.23 116.94 120.37 2wr2 h PHE 417 Ca -0.03 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.76 2wr2 h PHE 417 Cb 0.39 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.16 2wr2 h PHE 417 CO -0.00 0.70 -0.31 1.25 -0.60 0.00 0.00 178.31 179.35 2wr2 h LEU 418 N 1.04 -0.94 -0.93 1.54 5.85 -1.19 0.25 115.31 120.93 2wr2 h LEU 418 Ca 0.27 0.13 0.09 0.00 0.84 0.00 0.00 57.88 59.21 2wr2 h LEU 418 Cb 0.00 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2wr2 h LEU 418 CO -0.05 -0.36 0.57 0.44 -0.34 0.00 0.00 178.44 178.71 2wr2 h ASP 419 N -0.42 0.87 -0.07 1.25 3.32 -1.03 0.64 116.42 120.98 2wr2 h ASP 419 Ca 0.08 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2wr2 h ASP 419 Cb 0.54 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2wr2 h ASP 419 CO -0.31 0.52 0.01 0.58 -1.72 0.00 0.00 179.24 178.33 2wr2 h VAL 420 N 0.98 1.20 -0.35 -1.35 2.07 -0.32 -2.58 116.25 115.90 2wr2 h VAL 420 Ca 0.43 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2wr2 h VAL 420 Cb 0.30 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wr2 h VAL 420 CO -0.22 0.17 0.01 -0.50 0.02 0.00 0.00 177.57 177.06 2wr2 h TRP 421 N -0.12 0.66 0.45 1.57 4.06 -0.13 -1.77 115.95 120.66 2wr2 h TRP 421 Ca 0.02 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 2wr2 h TRP 421 Cb 0.26 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2wr2 h TRP 421 CO 0.01 0.71 -0.35 1.15 -3.56 0.00 0.00 178.44 176.39 2wr2 h THR 422 N 0.43 0.28 -0.72 1.49 2.02 -0.92 0.34 112.91 115.82 2wr2 h THR 422 Ca 0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.31 2wr2 h THR 422 Cb 0.43 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2wr2 h THR 422 CO 0.02 0.00 0.45 0.22 0.37 0.00 0.00 175.52 176.58 2wr2 h TYR 423 N -0.79 0.85 -0.52 3.16 3.20 -1.51 -0.49 116.97 120.87 2wr2 h TYR 423 Ca -0.04 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2wr2 h TYR 423 Cb 0.68 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2wr2 h TYR 423 CO -0.16 0.49 0.15 -0.97 -1.64 0.00 0.00 178.16 176.03 2wr2 h ASN 424 N 0.89 0.76 -0.04 -2.11 -1.24 -1.10 -2.09 115.58 110.65 2wr2 h ASN 424 Ca 0.29 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2wr2 h ASN 424 Cb 0.02 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 2wr2 h ASN 424 CO -0.11 0.77 0.00 0.00 -1.29 0.00 0.00 177.43 176.80 2wr2 h ALA 425 N 1.02 0.05 -0.17 1.57 0.00 0.08 -0.82 119.26 120.99 2wr2 h ALA 425 Ca 0.17 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wr2 h ALA 425 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2wr2 h ALA 425 CO -0.00 -0.29 -0.01 0.93 0.00 0.00 0.00 179.25 179.88 2wr2 h GLU 426 N -0.22 0.05 -0.37 0.00 4.39 -1.10 -2.13 114.58 115.21 2wr2 h GLU 426 Ca 0.01 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2wr2 h GLU 426 Cb 0.31 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2wr2 h GLU 426 CO 0.00 0.03 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.40 2wr2 h LEU 427 N 0.05 0.99 -0.76 1.33 4.07 -1.39 -2.02 115.31 117.58 2wr2 h LEU 427 Ca 0.08 -0.47 0.10 0.00 0.08 0.00 0.00 57.88 57.68 2wr2 h LEU 427 Cb 0.10 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 41.49 2wr2 h LEU 427 CO -0.14 1.27 0.40 0.25 -1.08 0.00 0.00 178.44 179.13 2wr2 h LEU 428 N 0.75 0.53 -0.23 1.67 5.85 -1.04 0.70 115.31 123.53 2wr2 h LEU 428 Ca 0.05 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2wr2 h LEU 428 Cb 1.01 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2wr2 h LEU 428 CO 0.10 0.29 0.01 0.58 -0.34 0.00 0.00 178.44 179.08 2wr2 h VAL 429 N 0.66 1.25 -0.91 1.05 2.07 -1.19 -0.17 116.25 119.00 2wr2 h VAL 429 Ca 0.38 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2wr2 h VAL 429 Cb 0.41 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2wr2 h VAL 429 CO -0.28 0.27 0.52 -0.07 0.02 0.00 0.00 177.57 178.03 2wr2 h LEU 430 N 0.18 1.11 -0.05 2.57 3.38 -0.91 -1.83 115.31 119.77 2wr2 h LEU 430 Ca 0.07 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2wr2 h LEU 430 Cb 0.38 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2wr2 h LEU 430 CO 0.01 0.87 -0.78 0.24 0.09 0.00 0.00 178.44 178.87 2wr2 h MET 431 N 1.26 0.61 -0.49 1.13 2.86 -0.70 -2.57 114.93 117.03 2wr2 h MET 431 Ca 0.32 -0.59 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 2wr2 h MET 431 Cb -0.02 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2wr2 h MET 431 CO -0.06 1.21 -0.21 0.93 1.06 0.00 0.00 176.91 179.84 2wr2 h GLU 432 N 0.24 1.00 -0.66 1.72 4.39 -1.02 -2.42 114.58 117.84 2wr2 h GLU 432 Ca -0.08 -0.42 0.09 0.00 0.34 0.00 0.00 59.36 59.28 2wr2 h GLU 432 Cb 1.44 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.99 2wr2 h GLU 432 CO 0.16 1.10 0.30 -0.91 -1.16 0.00 0.00 179.01 178.50 2wr2 h ASN 433 N 0.87 0.36 -0.00 1.42 2.35 -1.38 0.35 115.58 119.55 2wr2 h ASN 433 Ca 0.11 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2wr2 h ASN 433 Cb 0.79 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2wr2 h ASN 433 CO 0.07 0.21 -0.04 -0.08 -1.65 0.00 0.00 177.43 175.94 2wr2 h GLU 434 N 0.52 -0.07 -0.84 0.81 4.81 -1.36 -1.13 114.58 117.32 2wr2 h GLU 434 Ca 0.32 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.65 2wr2 h GLU 434 Cb 0.36 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 2wr2 h GLU 434 CO -0.27 -0.05 0.49 0.00 -0.73 0.00 0.00 179.01 178.44 2wr2 h ARG 435 N -0.07 0.80 -0.43 1.92 2.47 -0.93 -2.19 114.38 115.95 2wr2 h ARG 435 Ca 0.02 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2wr2 h ARG 435 Cb 0.10 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 2wr2 h ARG 435 CO -0.05 0.53 -0.03 1.15 0.56 0.00 0.00 179.97 182.13 2wr2 h THR 436 N 0.82 1.27 -0.80 2.04 2.02 0.27 0.12 112.91 118.65 2wr2 h THR 436 Ca 0.40 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2wr2 h THR 436 Cb 0.34 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2wr2 h THR 436 CO -0.24 0.37 0.39 -0.07 0.37 0.00 0.00 175.52 176.34 2wr2 h LEU 437 N 0.60 1.04 -0.84 2.58 4.07 -1.06 -2.13 115.31 119.58 2wr2 h LEU 437 Ca 0.12 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 2wr2 h LEU 437 Cb 0.53 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2wr2 h LEU 437 CO 0.03 0.88 -0.29 0.44 -1.08 0.00 0.00 178.44 178.42 2wr2 h ASP 438 N 1.13 0.54 -0.07 -0.43 3.32 -1.05 -0.76 116.42 119.09 2wr2 h ASP 438 Ca 0.27 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2wr2 h ASP 438 Cb 0.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wr2 h ASP 438 CO -0.04 0.81 0.02 0.15 -1.72 0.00 0.00 179.24 178.47 2wr2 h PHE 439 N 0.46 0.04 -0.14 4.55 3.57 -0.46 0.10 116.94 125.06 2wr2 h PHE 439 Ca 0.06 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2wr2 h PHE 439 Cb 0.74 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2wr2 h PHE 439 CO 0.03 0.02 0.07 0.45 -2.23 0.00 0.00 178.31 176.65 2wr2 h HIS 440 N 0.06 0.13 -0.46 0.41 3.86 -1.24 -1.25 115.15 116.66 2wr2 h HIS 440 Ca 0.03 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 2wr2 h HIS 440 Cb 0.01 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 28.36 2wr2 h HIS 440 CO -0.09 0.07 -0.15 0.22 0.86 0.00 0.00 177.93 178.84 2wr2 h ASP 441 N 0.15 -0.54 -0.79 2.45 3.58 -0.87 -1.59 116.42 118.82 2wr2 h ASP 441 Ca 0.06 0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 2wr2 h ASP 441 Cb 0.01 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2wr2 h ASP 441 CO -0.04 -0.19 0.30 -1.28 -2.88 0.00 0.00 179.24 175.16 2wr2 h SER 442 N -0.05 1.10 -0.55 2.28 0.87 -0.61 -1.01 113.55 115.58 2wr2 h SER 442 Ca 0.22 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2wr2 h SER 442 Cb 0.38 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2wr2 h SER 442 CO -0.50 0.98 0.31 0.78 -0.53 0.00 0.00 176.83 177.88 2wr2 h ASN 443 N 1.15 0.68 0.31 6.23 2.35 -0.55 0.18 115.58 125.94 2wr2 h ASN 443 Ca 0.26 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2wr2 h ASN 443 Cb 0.23 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2wr2 h ASN 443 CO -0.02 0.56 -0.17 0.58 -1.65 0.00 0.00 177.43 176.73 2wr2 h VAL 444 N 0.74 0.64 -0.54 2.81 2.07 -1.07 -0.90 116.25 119.99 2wr2 h VAL 444 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 2wr2 h VAL 444 Cb 0.02 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2wr2 h VAL 444 CO -0.03 0.00 0.13 0.50 0.02 0.00 0.00 177.57 178.18 2wr2 h LYS 445 N -0.45 0.26 -0.15 1.57 1.63 -0.97 -1.14 116.57 117.32 2wr2 h LYS 445 Ca -0.04 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2wr2 h LYS 445 Cb 0.37 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2wr2 h LYS 445 CO 0.05 0.17 -0.16 -0.91 -3.45 0.00 0.00 179.45 175.16 2wr2 h ASN 446 N 0.27 0.23 -0.13 4.20 2.35 -0.51 -1.75 115.58 120.25 2wr2 h ASN 446 Ca 0.28 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2wr2 h ASN 446 Cb 0.38 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2wr2 h ASN 446 CO -0.35 0.41 0.02 0.25 -1.65 0.00 0.00 177.43 176.12 2wr2 h LEU 447 N 0.23 0.20 -0.49 1.61 5.85 -0.09 0.29 115.31 122.90 2wr2 h LEU 447 Ca 0.05 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2wr2 h LEU 447 Cb 0.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2wr2 h LEU 447 CO 0.03 0.40 0.19 0.22 -0.34 0.00 0.00 178.44 178.94 2wr2 h TYR 448 N -0.01 0.34 -0.56 1.25 3.20 -0.94 -2.03 116.97 118.21 2wr2 h TYR 448 Ca 0.04 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 2wr2 h TYR 448 Cb 0.28 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2wr2 h TYR 448 CO 0.01 0.12 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.14 2wr2 h ASP 449 N 0.38 1.04 -0.68 -2.11 3.32 -1.24 -0.22 116.42 116.90 2wr2 h ASP 449 Ca 0.23 -0.33 0.14 0.00 0.02 0.00 0.00 57.03 57.09 2wr2 h ASP 449 Cb 0.23 -0.28 -0.10 0.00 0.22 0.00 0.00 39.33 39.40 2wr2 h ASP 449 CO -0.23 1.13 0.16 0.50 -1.72 0.00 0.00 179.24 179.08 2wr2 h LYS 450 N 0.94 0.27 -0.15 3.56 3.64 -0.37 0.14 116.57 124.59 2wr2 h LYS 450 Ca 0.15 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2wr2 h LYS 450 Cb 0.64 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2wr2 h LYS 450 CO 0.04 0.18 -0.20 0.28 -2.27 0.00 0.00 179.45 177.49 2wr2 h VAL 451 N 0.28 1.36 -0.98 2.00 2.07 -1.04 -3.05 116.25 116.89 2wr2 h VAL 451 Ca 0.37 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.54 2wr2 h VAL 451 Cb 0.60 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 2wr2 h VAL 451 CO -0.46 0.41 0.63 -0.09 0.02 0.00 0.00 177.57 178.09 2wr2 h ARG 452 N 0.01 1.14 0.00 1.57 2.43 -0.22 -2.22 114.38 117.08 2wr2 h ARG 452 Ca 0.02 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2wr2 h ARG 452 Cb 0.75 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wr2 h ARG 452 CO 0.05 0.75 -0.11 0.52 -1.51 0.00 0.00 179.97 179.66 2wr2 h MET 453 N 1.17 0.00 0.17 0.20 2.86 -0.81 -1.24 114.93 117.28 2wr2 h MET 453 Ca 0.41 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 2wr2 h MET 453 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2wr2 h MET 453 CO -0.16 0.11 -0.08 1.96 1.06 0.00 0.00 176.91 179.80 2wr2 h GLN 454 N 0.00 -0.22 -0.28 1.72 4.20 -1.36 -3.37 115.11 115.80 2wr2 h GLN 454 Ca -0.00 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2wr2 h GLN 454 Cb 0.96 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2wr2 h GLN 454 CO 0.01 0.13 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.01 2wr2 h LEU 455 N -0.96 0.54 0.00 1.46 3.38 -1.42 -3.45 115.31 114.87 2wr2 h LEU 455 Ca -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2wr2 h LEU 455 Cb 0.46 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wr2 h LEU 455 CO 0.04 0.77 0.00 0.54 0.09 0.00 0.00 178.44 179.87 2wr2 n ARG 456 N -4.13 0.00 -0.06 1.13 1.74 -0.47 -0.72 116.66 114.14 2wr2 n ARG 456 Ca -0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 2wr2 n ARG 456 Cb 0.40 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.19 2wr2 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wr2 n ASP 457 N 2.65 0.98 0.00 0.55 3.85 -1.26 -3.31 116.55 120.01 2wr2 n ASP 457 Ca 0.00 -1.70 0.10 0.00 -0.71 0.00 0.00 54.79 52.48 2wr2 n ASP 457 Cb 0.00 -0.08 0.57 0.00 -1.35 0.00 0.00 41.12 40.26 2wr2 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr2 n ASN 458 N -0.09 0.00 -3.74 -1.12 4.13 0.10 -4.77 115.26 109.76 2wr2 n ASN 458 Ca 0.13 -0.51 -0.11 0.00 1.68 0.00 0.00 54.58 55.76 2wr2 n ASN 458 Cb 0.20 -0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.33 2wr2 n ASN 458 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wr2 s VAL 459 N -2.10 0.08 -0.11 2.41 1.01 -1.21 -1.65 120.40 118.85 2wr2 s VAL 459 Ca 0.28 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2wr2 s VAL 459 Cb 0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2wr2 s VAL 459 CO 0.24 -0.38 0.12 -0.75 0.00 0.00 0.00 175.10 174.33 2wr2 s LYS 460 N -2.83 3.35 -0.35 2.72 2.20 0.23 -4.87 119.74 120.19 2wr2 s LYS 460 Ca -0.03 -0.20 -0.25 0.00 -0.36 0.00 0.00 55.97 55.13 2wr2 s LYS 460 Cb 0.00 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2wr2 s LYS 460 CO -0.05 0.76 0.89 -1.21 -0.36 0.00 0.00 175.35 175.38 2wr2 s GLU 461 N -1.06 3.87 0.01 4.03 2.02 -1.26 -1.38 118.70 124.93 2wr2 s GLU 461 Ca 0.15 0.58 0.24 0.00 0.02 0.00 0.00 54.97 55.97 2wr2 s GLU 461 Cb -0.12 -3.78 0.33 0.00 0.10 0.00 0.00 34.13 30.66 2wr2 s GLU 461 CO 0.05 -0.88 1.29 1.28 0.02 0.00 0.00 175.26 177.01 2wr2 n LEU 462 N 6.62 0.60 0.00 1.80 4.32 -0.62 -4.99 117.00 124.73 2wr2 n LEU 462 Ca 0.06 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wr2 n LEU 462 Cb 0.48 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2wr2 n LEU 462 CO 0.56 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 2wr2 n GLY 463 N 1.47 0.04 2.65 -0.72 0.00 -1.25 -4.90 105.19 102.48 2wr2 n GLY 463 Ca 0.05 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 2wr2 n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr2 n ASN 464 N -0.94 -3.78 -0.48 1.61 5.15 -1.18 -1.22 115.26 114.42 2wr2 n ASN 464 Ca 0.00 0.08 -0.06 0.00 -0.60 0.00 0.00 54.58 54.00 2wr2 n ASN 464 Cb 0.00 -3.20 -0.03 0.00 -0.53 0.00 0.00 39.78 36.02 2wr2 n ASN 464 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wr2 n GLY 465 N -0.88 0.84 3.61 8.20 0.00 -1.25 -4.80 105.19 110.91 2wr2 n GLY 465 Ca -0.11 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2wr2 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s PHE 467 N -1.16 2.12 -0.20 0.00 0.08 0.39 -1.59 117.98 117.62 2wr2 s PHE 467 Ca 0.21 -0.73 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 2wr2 s PHE 467 Cb -0.11 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2wr2 s PHE 467 CO 0.13 -0.28 0.04 -2.00 -0.10 0.00 0.00 175.22 173.01 2wr2 s GLU 468 N 0.18 3.78 0.32 0.44 2.12 -0.48 -1.93 118.70 123.14 2wr2 s GLU 468 Ca -0.10 -0.44 -0.28 0.00 0.36 0.00 0.00 54.97 54.51 2wr2 s GLU 468 Cb -0.15 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 30.96 2wr2 s GLU 468 CO 0.05 0.09 1.11 -0.06 -0.54 0.00 0.00 175.26 175.91 2wr2 s PHE 469 N 0.84 3.42 -1.55 5.30 0.08 -0.55 -0.60 117.98 124.91 2wr2 s PHE 469 Ca 0.02 1.65 0.09 0.00 0.12 0.00 0.00 56.93 58.82 2wr2 s PHE 469 Cb -0.14 -3.29 0.33 0.00 -0.57 0.00 0.00 43.02 39.35 2wr2 s PHE 469 CO 0.02 -0.74 1.20 0.66 -0.10 0.00 0.00 175.22 176.26 2wr2 n TYR 470 N 0.77 0.63 -3.70 0.36 4.01 -0.66 -4.69 117.16 113.88 2wr2 n TYR 470 Ca 0.01 -0.27 -0.10 0.00 -0.16 0.00 0.00 57.90 57.38 2wr2 n TYR 470 Cb 0.46 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 2wr2 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr2 s HIS 471 N -1.63 -0.11 0.21 -0.72 -3.43 -1.26 -3.91 115.29 104.43 2wr2 s HIS 471 Ca 0.24 -0.22 -0.31 0.00 -0.80 0.00 0.00 55.06 53.97 2wr2 s HIS 471 Cb 0.14 0.26 -0.10 0.00 -1.43 0.00 0.00 32.58 31.46 2wr2 s HIS 471 CO 0.13 -0.77 1.52 0.15 -2.00 0.00 0.00 174.74 173.77 2wr2 s LYS 472 N -3.84 4.23 -0.27 -0.38 -0.14 -1.26 -4.81 119.74 113.26 2wr2 s LYS 472 Ca 0.06 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 57.03 2wr2 s LYS 472 Cb 0.01 -3.13 0.08 0.00 -1.68 0.00 0.00 37.83 33.12 2wr2 s LYS 472 CO -0.08 -0.54 0.03 0.00 -0.76 0.00 0.00 175.35 174.01 2wr2 s ASP 474 N 1.47 4.10 0.49 0.00 1.47 -1.26 -4.72 116.67 118.23 2wr2 s ASP 474 Ca 0.03 0.48 0.24 0.00 1.18 0.00 0.00 52.55 54.49 2wr2 s ASP 474 Cb -0.18 -0.85 1.31 0.00 -0.34 0.00 0.00 42.92 42.86 2wr2 s ASP 474 CO -0.14 -2.11 1.92 0.44 0.68 0.00 0.00 175.17 175.96 2wr2 h ASP 475 N -1.13 0.14 -0.27 2.11 3.45 -1.99 0.12 116.42 118.85 2wr2 h ASP 475 Ca -0.45 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 56.87 2wr2 h ASP 475 Cb 1.29 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2wr2 h ASP 475 CO 0.54 0.06 -0.45 -0.08 -1.57 0.00 0.00 179.24 177.75 2wr2 h GLU 476 N 0.15 0.78 -0.49 3.56 4.57 -2.00 -2.04 114.58 119.12 2wr2 h GLU 476 Ca 0.37 -0.48 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 2wr2 h GLU 476 Cb 1.25 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 2wr2 h GLU 476 CO -0.06 1.11 0.12 0.00 -1.18 0.00 0.00 179.01 179.00 2wr2 h MET 478 N 0.66 0.36 -0.73 0.00 2.86 -0.97 -1.65 114.93 115.46 2wr2 h MET 478 Ca 0.15 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.91 2wr2 h MET 478 Cb 0.33 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.81 2wr2 h MET 478 CO 0.00 0.24 0.25 -0.91 1.06 0.00 0.00 176.91 177.55 2wr2 h ASN 479 N 0.37 0.19 -0.55 1.22 2.35 -1.28 0.38 115.58 118.27 2wr2 h ASN 479 Ca 0.13 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2wr2 h ASN 479 Cb 0.03 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2wr2 h ASN 479 CO -0.08 0.06 0.17 0.77 -1.65 0.00 0.00 177.43 176.71 2wr2 h SER 480 N 0.38 0.84 0.19 5.81 4.64 -0.97 0.82 113.55 125.26 2wr2 h SER 480 Ca 0.40 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2wr2 h SER 480 Cb 0.62 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2wr2 h SER 480 CO -0.42 0.80 -0.09 0.58 -0.87 0.00 0.00 176.83 176.82 2wr2 h VAL 481 N 0.87 0.82 0.00 0.95 2.07 -0.53 0.18 116.25 120.61 2wr2 h VAL 481 Ca 0.19 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2wr2 h VAL 481 Cb 0.27 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wr2 h VAL 481 CO -0.01 0.01 -0.16 0.11 0.02 0.00 0.00 177.57 177.54 2wr2 h LYS 482 N -0.27 0.00 -0.33 1.57 1.57 -0.22 -2.72 116.57 116.17 2wr2 h LYS 482 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wr2 h LYS 482 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wr2 h LYS 482 CO 0.04 0.16 0.00 0.27 -0.57 0.00 0.00 179.45 179.36 2wr2 n ASN 483 N -3.71 2.91 0.00 0.86 0.23 0.21 -4.96 115.26 110.80 2wr2 n ASN 483 Ca -0.02 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 2wr2 n ASN 483 Cb 0.28 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2wr2 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 484 N 0.79 0.41 1.67 4.83 0.00 -0.32 -4.94 105.19 107.62 2wr2 n GLY 484 Ca 0.13 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 2wr2 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr2 n THR 485 N -3.02 2.43 -2.18 2.61 -2.24 0.47 -5.02 114.28 107.34 2wr2 n THR 485 Ca 0.00 -3.95 -0.40 0.00 -2.27 0.00 0.00 64.05 57.43 2wr2 n THR 485 Cb 0.03 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 2wr2 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr2 s TYR 486 N -3.50 3.05 -0.53 4.78 5.04 -1.09 -4.82 117.35 120.28 2wr2 s TYR 486 Ca 0.47 1.48 -0.15 0.00 -2.44 0.00 0.00 57.07 56.43 2wr2 s TYR 486 Cb 0.40 -3.57 0.13 0.00 0.35 0.00 0.00 41.96 39.27 2wr2 s TYR 486 CO 0.01 -1.66 0.47 0.34 -1.34 0.00 0.00 175.55 173.37 2wr2 s ASP 487 N -0.74 6.09 0.08 4.32 -1.08 -1.26 -4.95 116.67 119.12 2wr2 s ASP 487 Ca 0.52 -1.81 -0.19 0.00 -0.52 0.00 0.00 52.55 50.55 2wr2 s ASP 487 Cb -0.36 -2.17 -0.09 0.00 -1.46 0.00 0.00 42.92 38.83 2wr2 s ASP 487 CO 0.47 -0.82 1.50 0.22 0.52 0.00 0.00 175.17 177.06 2wr2 h TYR 488 N 8.80 0.45 -0.52 -5.34 3.20 -1.94 -3.40 116.97 118.22 2wr2 h TYR 488 Ca -0.28 -0.08 -0.40 0.00 3.14 0.00 0.00 58.73 61.10 2wr2 h TYR 488 Cb 1.09 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 2wr2 h TYR 488 CO 0.71 0.60 1.56 -2.30 -1.64 0.00 0.00 178.16 177.09 2wr2 n PRO 489 N -4.64 0.38 0.00 1.82 -0.02 -1.26 -0.78 135.00 130.49 2wr2 n PRO 489 Ca -0.04 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2wr2 n PRO 489 Cb 0.25 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2wr2 n PRO 489 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wr2 n LYS 490 N 8.18 0.00 0.00 -0.52 4.81 -1.26 -4.95 118.16 124.42 2wr2 n LYS 490 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2wr2 n LYS 490 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 2wr2 n LYS 490 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2wr2 n TYR 491 N 0.00 0.00 -3.69 5.64 0.18 0.04 -3.77 117.16 115.56 2wr2 n TYR 491 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 2wr2 n TYR 491 Cb 0.00 -0.02 -0.12 0.00 -0.38 0.00 0.00 39.34 38.82 2wr2 n TYR 491 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2wr2 s GLU 492 N -1.90 0.24 0.58 -3.48 0.41 -1.26 -3.80 118.70 109.48 2wr2 s GLU 492 Ca 0.00 0.70 -0.18 0.00 -0.41 0.00 0.00 54.97 55.08 2wr2 s GLU 492 Cb 0.00 -0.03 -0.07 0.00 -1.78 0.00 0.00 34.13 32.25 2wr2 s GLU 492 CO 0.00 -0.21 0.69 -0.85 -0.49 0.00 0.00 175.26 174.40 2wr2 n GLU 493 N 4.70 0.65 0.00 1.61 0.28 -1.25 -5.06 120.64 121.58 2wr2 n GLU 493 Ca -0.17 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2wr2 n GLU 493 Cb 0.52 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.52 2wr2 n GLU 493 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2wr2 n GLU 494 N -0.39 0.00 0.03 3.44 4.07 -1.25 -4.75 120.64 121.79 2wr2 n GLU 494 Ca 0.12 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.27 2wr2 n GLU 494 Cb 0.47 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 32.06 2wr2 n GLU 494 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2wr2 n SER 495 N 0.00 0.11 0.20 4.31 3.41 -1.25 0.11 113.62 120.50 2wr2 n SER 495 Ca 0.00 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 2wr2 n SER 495 Cb 0.00 -0.56 0.30 0.00 -0.26 0.00 0.00 64.21 63.69 2wr2 n SER 495 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wr2 h LYS 496 N 0.00 0.00 0.00 4.33 3.64 -1.91 0.84 116.57 123.47 2wr2 h LYS 496 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2wr2 h LYS 496 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2wr2 h LYS 496 CO 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 179.45 176.73 2wr2 h ALA 497 N 0.79 1.24 -0.01 5.00 0.00 0.42 -3.52 119.26 123.19 2wr2 h ALA 497 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wr2 h ALA 497 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wr2 h ALA 497 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.81