#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr1 s GLN 6 N 0.00 1.55 -0.01 -1.24 1.03 -0.16 -1.53 119.66 119.30 2wr1 s GLN 6 Ca 0.00 -0.83 0.01 0.00 0.04 0.00 0.00 55.36 54.59 2wr1 s GLN 6 Cb 0.00 0.58 -0.00 0.00 0.03 0.00 0.00 33.01 33.62 2wr1 s GLN 6 CO 0.00 -0.69 -0.04 -1.50 -2.54 0.00 0.00 175.29 170.51 2wr1 s ILE 7 N -3.87 0.37 0.06 3.63 2.07 -0.71 -0.99 121.20 121.75 2wr1 s ILE 7 Ca 0.08 -0.18 0.07 0.00 -1.41 0.00 0.00 60.65 59.22 2wr1 s ILE 7 Cb -0.03 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2wr1 s ILE 7 CO -0.01 0.11 -0.20 0.00 -1.91 0.00 0.00 174.94 172.94 2wr1 s ILE 9 N -0.91 5.22 0.23 0.00 -1.09 0.00 -0.87 121.20 123.79 2wr1 s ILE 9 Ca 0.06 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.09 2wr1 s ILE 9 Cb -0.09 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2wr1 s ILE 9 CO 0.02 0.49 0.36 0.61 -1.23 0.00 0.00 174.94 175.19 2wr1 n GLY 10 N 2.60 2.14 3.10 6.18 0.00 -0.24 -4.78 105.19 114.20 2wr1 n GLY 10 Ca -0.13 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 2wr1 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr1 s TYR 11 N -4.04 0.65 0.34 1.61 -0.85 -1.26 -1.50 117.35 112.29 2wr1 s TYR 11 Ca 0.16 -0.89 -0.29 0.00 -0.52 0.00 0.00 57.07 55.53 2wr1 s TYR 11 Cb -0.01 -0.42 -0.11 0.00 0.38 0.00 0.00 41.96 41.80 2wr1 s TYR 11 CO 0.11 -0.24 1.40 -1.58 -1.52 0.00 0.00 175.55 173.72 2wr1 s HIS 12 N -3.26 2.87 0.13 -3.49 5.65 0.88 -0.27 115.29 117.80 2wr1 s HIS 12 Ca 0.04 1.26 0.01 0.00 0.25 0.00 0.00 55.06 56.62 2wr1 s HIS 12 Cb 0.03 -3.83 -0.04 0.00 -1.18 0.00 0.00 32.58 27.55 2wr1 s HIS 12 CO -0.06 -2.43 -0.02 0.00 -0.65 0.00 0.00 174.74 171.58 2wr1 s ALA 13 N -0.95 1.11 0.00 1.58 0.00 -0.54 -4.55 121.76 118.40 2wr1 s ALA 13 Ca 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2wr1 s ALA 13 Cb -0.43 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2wr1 s ALA 13 CO 0.55 -0.30 0.00 0.27 0.00 0.00 0.00 175.76 176.28 2wr1 n ASN 14 N -0.13 0.00 -1.02 0.00 0.23 -1.26 -3.98 115.26 109.10 2wr1 n ASN 14 Ca -0.09 -0.57 0.08 0.00 -0.53 0.00 0.00 54.58 53.47 2wr1 n ASN 14 Cb 0.62 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.58 2wr1 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr1 n ASN 15 N -0.84 3.94 -4.58 0.53 0.23 -1.26 -4.80 115.26 108.47 2wr1 n ASN 15 Ca 0.00 -2.67 -0.51 0.00 -0.53 0.00 0.00 54.58 50.87 2wr1 n ASN 15 Cb 0.00 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.16 2wr1 n ASN 15 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2wr1 n SER 16 N 0.10 1.52 -1.12 0.53 2.88 -1.26 -4.89 113.62 111.38 2wr1 n SER 16 Ca 0.20 1.13 0.06 0.00 -1.33 0.00 0.00 58.87 58.92 2wr1 n SER 16 Cb 0.80 -1.19 0.27 0.00 -0.75 0.00 0.00 64.21 63.34 2wr1 n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wr1 n THR 17 N 2.18 2.43 -2.08 2.46 -2.24 -1.26 -4.81 114.28 110.96 2wr1 n THR 17 Ca 0.17 -1.92 -0.42 0.00 -2.27 0.00 0.00 64.05 59.62 2wr1 n THR 17 Cb 0.21 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 2wr1 n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wr1 s GLU 18 N -2.89 4.25 -0.04 -0.78 0.41 -1.26 -4.93 118.70 113.45 2wr1 s GLU 18 Ca 0.45 2.15 -0.02 0.00 -0.41 0.00 0.00 54.97 57.14 2wr1 s GLU 18 Cb 0.37 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.19 2wr1 s GLU 18 CO 0.09 -0.61 0.07 0.15 -0.49 0.00 0.00 175.26 174.47 2wr1 s LYS 19 N 2.14 3.11 0.25 1.61 -0.14 -1.26 -0.78 119.74 124.67 2wr1 s LYS 19 Ca 0.68 -0.41 0.03 0.00 -1.36 0.00 0.00 55.97 54.91 2wr1 s LYS 19 Cb -0.37 -2.90 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 2wr1 s LYS 19 CO 0.30 0.68 0.04 0.14 -0.76 0.00 0.00 175.35 175.75 2wr1 s VAL 20 N -1.09 0.91 0.14 3.17 -7.23 -0.08 -4.89 120.40 111.33 2wr1 s VAL 20 Ca 0.19 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2wr1 s VAL 20 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2wr1 s VAL 20 CO 0.09 -0.18 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.85 2wr1 s ASP 21 N -3.34 4.63 0.32 4.85 1.01 -1.26 0.14 116.67 123.02 2wr1 s ASP 21 Ca 0.32 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 53.23 2wr1 s ASP 21 Cb 0.07 -0.95 -0.05 0.00 1.01 0.00 0.00 42.92 42.99 2wr1 s ASP 21 CO 0.11 0.13 0.08 0.42 0.21 0.00 0.00 175.17 176.12 2wr1 s THR 22 N -1.49 0.96 0.38 -1.27 -4.23 0.11 -4.48 115.64 105.61 2wr1 s THR 22 Ca 0.25 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.86 2wr1 s THR 22 Cb -0.10 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.37 2wr1 s THR 22 CO 0.17 0.00 1.91 0.40 -0.54 0.00 0.00 174.62 176.56 2wr1 h ILE 23 N 2.13 0.88 0.00 2.99 1.08 -1.80 -3.09 117.51 119.69 2wr1 h ILE 23 Ca -0.39 -0.21 -0.15 0.00 -0.39 0.00 0.00 64.86 63.71 2wr1 h ILE 23 Cb 1.25 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2wr1 h ILE 23 CO 0.66 0.11 -1.62 0.18 -0.69 0.00 0.00 178.15 176.79 2wr1 n LEU 24 N -4.51 0.58 -3.85 1.44 4.77 -1.26 -4.98 117.00 109.20 2wr1 n LEU 24 Ca 0.14 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2wr1 n LEU 24 Cb 0.41 0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2wr1 n LEU 24 CO 0.32 0.14 -0.27 -0.70 -1.33 0.00 0.00 177.39 175.55 2wr1 s GLU 25 N -3.00 0.11 0.08 3.23 2.12 -1.17 -5.16 118.70 114.92 2wr1 s GLU 25 Ca -0.05 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.40 2wr1 s GLU 25 Cb 0.09 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 2wr1 s GLU 25 CO 0.83 -0.01 0.11 1.03 -0.54 0.00 0.00 175.26 176.67 2wr1 s ARG 26 N -0.01 2.98 -1.07 4.30 1.81 -1.26 0.08 118.95 125.78 2wr1 s ARG 26 Ca -0.01 -0.66 -0.14 0.00 -1.72 0.00 0.00 55.73 53.20 2wr1 s ARG 26 Cb -0.01 -2.77 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 2wr1 s ARG 26 CO 0.00 0.57 0.82 0.09 -0.68 0.00 0.00 175.30 176.10 2wr1 n ASN 27 N 0.36 -5.93 -4.74 0.23 3.02 -0.96 -4.95 115.26 102.29 2wr1 n ASN 27 Ca -0.08 -0.85 -0.36 0.00 -0.03 0.00 0.00 54.58 53.26 2wr1 n ASN 27 Cb 0.52 -4.03 -0.07 0.00 -0.61 0.00 0.00 39.78 35.58 2wr1 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr1 s VAL 28 N -3.39 5.34 0.05 2.41 1.01 0.12 -4.84 120.40 121.10 2wr1 s VAL 28 Ca 0.42 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 2wr1 s VAL 28 Cb -0.12 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2wr1 s VAL 28 CO 0.82 0.43 0.96 -0.89 0.00 0.00 0.00 175.10 176.42 2wr1 s THR 29 N 0.26 4.71 0.24 3.92 2.01 -1.26 -0.90 115.64 124.61 2wr1 s THR 29 Ca 0.14 2.05 0.10 0.00 0.31 0.00 0.00 61.69 64.28 2wr1 s THR 29 Cb -0.12 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 2wr1 s THR 29 CO 0.02 0.24 -0.17 0.68 -0.69 0.00 0.00 174.62 174.70 2wr1 s VAL 30 N 0.54 2.06 0.24 3.82 -7.23 0.04 -0.52 120.40 119.35 2wr1 s VAL 30 Ca 0.49 -2.29 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 2wr1 s VAL 30 Cb -0.22 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2wr1 s VAL 30 CO 0.29 -0.50 1.56 0.71 -0.31 0.00 0.00 175.10 176.84 2wr1 h THR 31 N 2.45 1.43 -3.06 5.32 1.35 -1.45 -3.38 112.91 115.56 2wr1 h THR 31 Ca -0.39 -2.13 -0.13 0.00 -0.55 0.00 0.00 66.41 63.22 2wr1 h THR 31 Cb 1.24 2.12 -0.21 0.00 -1.73 0.00 0.00 68.15 69.57 2wr1 h THR 31 CO 0.61 0.62 -0.31 -1.00 -0.25 0.00 0.00 175.52 175.19 2wr1 s HIS 32 N -3.63 -0.20 0.21 4.73 3.76 -1.26 -4.77 115.29 114.14 2wr1 s HIS 32 Ca -0.03 0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 55.11 2wr1 s HIS 32 Cb 0.12 0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.90 2wr1 s HIS 32 CO 0.79 -0.33 0.45 0.00 -0.85 0.00 0.00 174.74 174.80 2wr1 s ALA 33 N -1.00 -0.40 -0.07 -1.40 0.00 -1.26 -1.10 121.76 116.53 2wr1 s ALA 33 Ca -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 2wr1 s ALA 33 Cb -0.05 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2wr1 s ALA 33 CO 0.03 -0.80 0.16 0.21 0.00 0.00 0.00 175.76 175.36 2wr1 s LYS 34 N -3.96 0.09 0.07 0.00 2.20 -0.42 -4.85 119.74 112.87 2wr1 s LYS 34 Ca 0.17 0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 55.91 2wr1 s LYS 34 Cb 0.00 -0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.08 2wr1 s LYS 34 CO 0.04 -0.18 0.86 0.34 -0.36 0.00 0.00 175.35 176.04 2wr1 s ASP 35 N 1.30 7.35 -0.04 1.43 -1.08 -1.26 -0.94 116.67 123.42 2wr1 s ASP 35 Ca -0.08 1.61 0.15 0.00 -0.52 0.00 0.00 52.55 53.71 2wr1 s ASP 35 Cb -0.12 -2.52 0.48 0.00 -1.46 0.00 0.00 42.92 39.30 2wr1 s ASP 35 CO -0.06 -0.02 1.41 2.30 0.52 0.00 0.00 175.17 179.31 2wr1 n ILE 36 N 2.81 1.30 -3.61 4.11 -5.35 -0.20 -4.89 119.36 113.52 2wr1 n ILE 36 Ca -0.00 -1.14 -0.38 0.00 -0.27 0.00 0.00 62.75 60.96 2wr1 n ILE 36 Cb 0.50 0.35 -0.11 0.00 -1.74 0.00 0.00 39.64 38.63 2wr1 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr1 s LEU 37 N -1.36 4.04 -0.12 7.28 2.96 -1.26 -3.56 118.68 126.68 2wr1 s LEU 37 Ca 0.36 -0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 2wr1 s LEU 37 Cb 0.21 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2wr1 s LEU 37 CO 0.21 -0.10 1.00 -0.70 -1.32 0.00 0.00 176.35 175.44 2wr1 s GLU 38 N 1.71 4.41 0.00 1.98 2.56 0.64 -4.86 118.70 125.13 2wr1 s GLU 38 Ca 0.06 1.38 0.00 0.00 0.00 0.00 0.00 54.97 56.41 2wr1 s GLU 38 Cb -0.16 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.42 2wr1 s GLU 38 CO 0.09 -0.34 0.23 1.63 -0.56 0.00 0.00 175.26 176.31 2wr1 n LYS 39 N 5.12 1.95 -4.16 4.30 5.02 -1.26 -2.86 118.16 126.27 2wr1 n LYS 39 Ca 0.09 -0.23 -0.26 0.00 -2.02 0.00 0.00 58.31 55.89 2wr1 n LYS 39 Cb 0.48 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 34.74 2wr1 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr1 s THR 40 N -0.34 4.04 0.24 -0.18 -4.23 -1.26 -4.88 115.64 109.02 2wr1 s THR 40 Ca 0.00 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.12 2wr1 s THR 40 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 2wr1 s THR 40 CO 0.00 -0.14 0.31 -1.38 -0.54 0.00 0.00 174.62 172.87 2wr1 s HIS 41 N -1.81 0.84 -1.50 3.99 -3.43 -1.26 -4.70 115.29 107.41 2wr1 s HIS 41 Ca 0.29 -1.11 0.14 0.00 -0.80 0.00 0.00 55.06 53.58 2wr1 s HIS 41 Cb -0.09 -0.21 0.49 0.00 -1.43 0.00 0.00 32.58 31.34 2wr1 s HIS 41 CO 0.21 -0.84 1.37 0.27 -2.00 0.00 0.00 174.74 173.75 2wr1 n ASN 42 N -0.46 3.23 -1.69 7.38 6.94 -0.18 -4.91 115.26 125.57 2wr1 n ASN 42 Ca 0.01 -2.21 -0.20 0.00 -0.02 0.00 0.00 54.58 52.16 2wr1 n ASN 42 Cb 0.64 -0.44 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 2wr1 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr1 n GLY 43 N 1.02 1.37 3.06 4.83 0.00 -1.26 -4.81 105.19 109.40 2wr1 n GLY 43 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2wr1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr1 s LYS 44 N -3.99 0.54 -0.20 1.61 1.02 -1.26 -4.73 119.74 112.73 2wr1 s LYS 44 Ca 0.00 -1.05 -0.17 0.00 0.02 0.00 0.00 55.97 54.78 2wr1 s LYS 44 Cb 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2wr1 s LYS 44 CO 0.00 -0.09 0.44 -1.17 -0.92 0.00 0.00 175.35 173.61 2wr1 s LEU 45 N -2.49 4.16 0.32 3.17 2.96 -1.26 -1.58 118.68 123.95 2wr1 s LEU 45 Ca 0.00 0.58 0.06 0.00 -0.22 0.00 0.00 54.13 54.55 2wr1 s LEU 45 Cb 0.02 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.07 2wr1 s LEU 45 CO -0.07 -0.10 -0.02 0.00 -1.32 0.00 0.00 176.35 174.84 2wr1 s ARG 47 N -3.76 4.40 -0.30 0.00 0.52 0.22 -4.62 118.95 115.41 2wr1 s ARG 47 Ca 0.32 2.12 -0.11 0.00 -0.52 0.00 0.00 55.73 57.54 2wr1 s ARG 47 Cb 0.06 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2wr1 s ARG 47 CO 0.14 -0.11 0.18 -1.17 0.02 0.00 0.00 175.30 174.36 2wr1 s LEU 48 N -1.75 4.14 -1.55 2.53 2.96 0.02 -1.19 118.68 123.83 2wr1 s LEU 48 Ca 0.48 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2wr1 s LEU 48 Cb -0.38 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2wr1 s LEU 48 CO 0.50 -0.15 0.05 -1.20 -1.32 0.00 0.00 176.35 174.23 2wr1 n SER 49 N 5.04 0.79 0.00 3.68 7.64 -0.34 -1.51 113.62 128.92 2wr1 n SER 49 Ca -0.14 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2wr1 n SER 49 Cb 0.50 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2wr1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr1 n GLY 50 N -2.51 1.33 3.28 0.23 0.00 -1.26 -5.02 105.19 101.24 2wr1 n GLY 50 Ca -0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2wr1 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr1 s ILE 51 N -2.67 2.27 0.66 -0.61 1.01 -0.57 -5.01 121.20 116.28 2wr1 s ILE 51 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2wr1 s ILE 51 Cb 0.00 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2wr1 s ILE 51 CO 0.00 0.56 1.05 -2.16 0.00 0.00 0.00 174.94 174.39 2wr1 s PRO 52 N 0.05 3.24 0.53 2.79 0.04 -1.26 -0.80 135.00 139.59 2wr1 s PRO 52 Ca -0.09 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 61.65 2wr1 s PRO 52 Cb -0.15 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2wr1 s PRO 52 CO 0.06 -0.86 1.02 -1.25 0.04 0.00 0.00 177.00 176.01 2wr1 s PRO 53 N -5.06 3.69 -0.16 0.56 0.04 -1.26 -1.42 135.00 131.39 2wr1 s PRO 53 Ca 0.57 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 2wr1 s PRO 53 Cb -0.13 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2wr1 s PRO 53 CO 0.54 -0.50 1.39 -1.17 0.04 0.00 0.00 177.00 177.29 2wr1 s LEU 54 N -4.05 4.15 -0.51 -3.56 2.96 -0.15 -4.89 118.68 112.63 2wr1 s LEU 54 Ca 0.63 1.75 -0.18 0.00 -0.22 0.00 0.00 54.13 56.11 2wr1 s LEU 54 Cb -0.14 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.09 2wr1 s LEU 54 CO 0.30 -0.88 0.57 -1.61 -1.32 0.00 0.00 176.35 173.40 2wr1 s GLU 55 N 3.80 3.06 0.02 1.98 2.02 -1.26 -0.62 118.70 127.70 2wr1 s GLU 55 Ca 0.61 -1.14 0.23 0.00 0.02 0.00 0.00 54.97 54.68 2wr1 s GLU 55 Cb -0.24 -4.15 0.10 0.00 0.10 0.00 0.00 34.13 29.95 2wr1 s GLU 55 CO 0.20 -1.23 1.10 1.28 0.02 0.00 0.00 175.26 176.63 2wr1 n LEU 56 N 5.87 0.67 0.00 1.80 4.77 -0.16 -4.99 117.00 124.96 2wr1 n LEU 56 Ca -0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wr1 n LEU 56 Cb 0.44 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2wr1 n LEU 56 CO 0.53 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2wr1 n GLY 57 N 1.44 3.86 1.53 -0.72 0.00 -1.24 -1.23 105.19 108.83 2wr1 n GLY 57 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2wr1 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr1 n ASP 58 N 6.68 3.96 -4.82 1.61 5.68 -1.26 -1.58 116.55 126.82 2wr1 n ASP 58 Ca 0.00 -2.73 -0.32 0.00 -0.50 0.00 0.00 54.79 51.24 2wr1 n ASP 58 Cb 0.00 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.27 2wr1 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr1 s SER 60 N -2.17 5.75 0.22 0.00 1.04 -0.24 -4.84 113.70 113.46 2wr1 s SER 60 Ca 0.28 0.52 -0.08 0.00 0.48 0.00 0.00 55.95 57.15 2wr1 s SER 60 Cb -0.12 -1.66 0.28 0.00 0.10 0.00 0.00 66.02 64.62 2wr1 s SER 60 CO 0.21 -0.85 1.82 0.40 0.98 0.00 0.00 173.24 175.79 2wr1 h ILE 61 N 0.13 0.98 0.02 -1.02 2.04 -1.98 0.10 117.51 117.78 2wr1 h ILE 61 Ca -0.46 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2wr1 h ILE 61 Cb 1.25 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2wr1 h ILE 61 CO 0.59 0.14 -0.01 0.00 0.00 0.00 0.00 178.15 178.87 2wr1 h ALA 62 N 1.37 -0.03 -0.82 1.87 0.00 -1.93 -0.26 119.26 119.46 2wr1 h ALA 62 Ca 0.33 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.37 2wr1 h ALA 62 Cb 0.20 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2wr1 h ALA 62 CO -0.19 -0.46 0.22 0.78 0.00 0.00 0.00 179.25 179.60 2wr1 h GLY 63 N -0.15 1.21 0.60 0.00 0.00 -1.56 -1.58 103.07 101.59 2wr1 h GLY 63 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2wr1 h GLY 63 CO 0.01 -0.27 -0.06 -0.25 0.00 0.00 0.00 176.54 175.96 2wr1 h TRP 64 N 0.26 -0.16 -0.00 5.60 7.01 -0.51 -1.26 115.95 126.89 2wr1 h TRP 64 Ca 0.49 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.39 2wr1 h TRP 64 Cb 0.91 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 2wr1 h TRP 64 CO -0.26 0.21 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.08 2wr1 h LEU 65 N -0.58 0.00 0.00 0.65 3.38 -0.74 -2.31 115.31 115.72 2wr1 h LEU 65 Ca -0.02 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2wr1 h LEU 65 Cb 0.45 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2wr1 h LEU 65 CO 0.03 0.46 -0.77 -0.07 0.09 0.00 0.00 178.44 178.17 2wr1 h LEU 66 N 0.00 0.00 -0.42 1.67 3.38 -1.38 -3.45 115.31 115.12 2wr1 h LEU 66 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr1 h LEU 66 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2wr1 h LEU 66 CO 0.06 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2wr1 n GLY 67 N 1.29 1.01 3.58 0.83 0.00 -0.71 -1.48 105.19 109.71 2wr1 n GLY 67 Ca 0.00 -0.40 -0.53 0.00 0.00 0.00 0.00 46.02 45.09 2wr1 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr1 n ASN 68 N 0.89 1.45 0.04 1.61 2.85 -0.56 -0.05 115.26 121.50 2wr1 n ASN 68 Ca 0.00 1.12 0.21 0.00 -0.11 0.00 0.00 54.58 55.80 2wr1 n ASN 68 Cb 0.28 -1.16 0.73 0.00 1.24 0.00 0.00 39.78 40.87 2wr1 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr1 h PRO 69 N 4.37 0.00 0.00 1.20 0.11 -1.90 0.26 132.00 136.04 2wr1 h PRO 69 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wr1 h PRO 69 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2wr1 h PRO 69 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 2wr1 n GLU 70 N -4.02 0.31 -0.09 1.05 -0.58 -1.26 -2.88 120.64 113.17 2wr1 n GLU 70 Ca 0.09 0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.89 2wr1 n GLU 70 Cb 0.63 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 30.08 2wr1 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr1 n ASP 72 N -0.21 0.00 -1.70 0.00 -0.08 -1.12 -2.81 116.55 110.64 2wr1 n ASP 72 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2wr1 n ASP 72 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2wr1 n ASP 72 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2wr1 n ARG 73 N 0.00 0.59 0.32 -0.67 1.85 -1.26 -4.58 116.66 112.91 2wr1 n ARG 73 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 2wr1 n ARG 73 Cb 0.00 -1.20 0.08 0.00 -1.05 0.00 0.00 32.46 30.28 2wr1 n ARG 73 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2wr1 h LEU 74 N 3.39 0.00 -2.76 2.89 5.85 -1.89 -3.44 115.31 119.34 2wr1 h LEU 74 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wr1 h LEU 74 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2wr1 h LEU 74 CO 0.00 0.00 -0.38 0.00 -0.34 0.00 0.00 178.44 177.72 2wr1 n LEU 75 N -2.48 -3.02 -4.83 2.25 -0.00 -1.26 -5.03 117.00 102.62 2wr1 n LEU 75 Ca -0.00 0.54 -0.29 0.00 -0.00 0.00 0.00 56.01 56.26 2wr1 n LEU 75 Cb 0.92 -1.55 -0.04 0.00 -0.00 0.00 0.00 43.42 42.75 2wr1 n LEU 75 CO 0.01 -0.96 -0.09 -0.94 -0.00 0.00 0.00 177.39 175.41 2wr1 s SER 76 N -0.18 4.41 0.13 1.45 1.04 -1.26 -4.83 113.70 114.45 2wr1 s SER 76 Ca -0.07 -1.40 0.10 0.00 0.48 0.00 0.00 55.95 55.06 2wr1 s SER 76 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2wr1 s SER 76 CO 0.19 -0.95 -0.24 0.68 0.98 0.00 0.00 173.24 173.89 2wr1 s VAL 77 N -2.80 2.06 -0.86 5.02 -7.23 -1.26 -5.02 120.40 110.31 2wr1 s VAL 77 Ca 0.23 -1.72 0.22 0.00 -1.81 0.00 0.00 61.98 58.90 2wr1 s VAL 77 Cb -0.00 -1.85 0.21 0.00 0.56 0.00 0.00 36.38 35.29 2wr1 s VAL 77 CO 0.14 0.00 1.70 -0.81 -0.31 0.00 0.00 175.10 175.82 2wr1 n PRO 78 N 0.89 0.08 -3.81 4.82 -0.05 -1.26 -4.74 135.00 130.92 2wr1 n PRO 78 Ca -0.18 0.21 -0.12 0.00 -0.05 0.00 0.00 63.50 63.36 2wr1 n PRO 78 Cb 0.54 -1.62 -0.12 0.00 -0.05 0.00 0.00 33.50 32.25 2wr1 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2wr1 s GLU 79 N -3.08 0.27 0.11 0.54 2.12 -1.26 -1.22 118.70 116.19 2wr1 s GLU 79 Ca 0.09 0.16 -0.14 0.00 0.36 0.00 0.00 54.97 55.44 2wr1 s GLU 79 Cb 0.13 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.67 2wr1 s GLU 79 CO 0.42 -0.04 0.35 1.67 -0.54 0.00 0.00 175.26 177.11 2wr1 s TRP 80 N -0.15 -0.12 -0.26 5.30 -2.14 -0.97 -4.60 118.94 116.00 2wr1 s TRP 80 Ca -0.02 -0.21 0.15 0.00 2.66 0.00 0.00 56.10 58.67 2wr1 s TRP 80 Cb -0.02 0.18 -0.21 0.00 -3.10 0.00 0.00 33.47 30.32 2wr1 s TRP 80 CO 0.01 -0.66 0.44 -1.13 -2.66 0.00 0.00 176.95 172.95 2wr1 n SER 81 N -0.15 1.22 -3.66 -2.66 3.41 -0.50 -1.86 113.62 109.42 2wr1 n SER 81 Ca -0.16 -0.31 -0.02 0.00 -0.26 0.00 0.00 58.87 58.13 2wr1 n SER 81 Cb 0.63 1.45 -0.00 0.00 -0.26 0.00 0.00 64.21 66.02 2wr1 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr1 s TYR 82 N -2.82 -0.07 -0.05 7.33 -0.85 -1.19 -4.68 117.35 115.03 2wr1 s TYR 82 Ca -0.02 -0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 2wr1 s TYR 82 Cb 0.10 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 43.06 2wr1 s TYR 82 CO 0.62 -0.68 -0.22 0.42 -1.52 0.00 0.00 175.55 174.17 2wr1 s ILE 83 N -2.83 1.83 -0.14 -3.49 1.01 -0.82 -0.98 121.20 115.78 2wr1 s ILE 83 Ca 0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 2wr1 s ILE 83 Cb 0.00 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2wr1 s ILE 83 CO 0.01 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.71 2wr1 s VAL 84 N -0.16 3.62 0.18 2.92 1.01 0.20 0.80 120.40 128.98 2wr1 s VAL 84 Ca -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2wr1 s VAL 84 Cb -0.12 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2wr1 s VAL 84 CO 0.03 0.51 -0.03 -1.61 0.00 0.00 0.00 175.10 174.00 2wr1 s GLU 85 N 0.31 1.15 0.71 2.72 2.02 0.17 -0.99 118.70 124.80 2wr1 s GLU 85 Ca -0.06 -1.55 -0.13 0.00 0.02 0.00 0.00 54.97 53.25 2wr1 s GLU 85 Cb -0.15 -0.44 0.03 0.00 0.10 0.00 0.00 34.13 33.67 2wr1 s GLU 85 CO 0.04 -0.07 1.12 0.15 0.02 0.00 0.00 175.26 176.52 2wr1 s LYS 86 N -3.86 2.47 0.19 1.61 1.02 -0.61 -1.16 119.74 119.40 2wr1 s LYS 86 Ca 0.23 1.38 -0.12 0.00 0.02 0.00 0.00 55.97 57.48 2wr1 s LYS 86 Cb 0.05 -1.91 0.20 0.00 -0.52 0.00 0.00 37.83 35.65 2wr1 s LYS 86 CO 0.04 -1.50 1.75 1.49 -0.92 0.00 0.00 175.35 176.20 2wr1 h GLU 87 N -0.43 0.35 -3.11 1.68 4.57 -1.88 -3.34 114.58 112.43 2wr1 h GLU 87 Ca -0.46 -0.02 -0.62 0.00 -1.18 0.00 0.00 59.36 57.08 2wr1 h GLU 87 Cb 1.25 -0.08 -0.40 0.00 -0.16 0.00 0.00 28.75 29.36 2wr1 h GLU 87 CO 0.52 0.23 -0.71 -0.80 -1.18 0.00 0.00 179.01 177.08 2wr1 s ASN 88 N -5.39 3.83 0.39 1.04 0.01 -1.26 -5.10 114.94 108.47 2wr1 s ASN 88 Ca -0.13 -2.71 -0.27 0.00 -0.71 0.00 0.00 52.86 49.05 2wr1 s ASN 88 Cb 0.15 -1.19 -0.09 0.00 0.41 0.00 0.00 41.25 40.53 2wr1 s ASN 88 CO 0.73 -0.26 1.33 -2.84 -1.51 0.00 0.00 177.10 174.56 2wr1 s PRO 89 N 0.21 4.05 0.10 -0.60 0.02 -1.26 -4.94 135.00 132.58 2wr1 s PRO 89 Ca 0.17 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.42 2wr1 s PRO 89 Cb -0.25 -2.84 -0.22 0.00 0.02 0.00 0.00 34.50 31.21 2wr1 s PRO 89 CO 0.00 -0.46 1.21 0.28 -0.33 0.00 0.00 177.00 177.71 2wr1 h VAL 90 N 2.64 1.54 -3.60 3.83 2.07 -1.55 -3.45 116.25 117.73 2wr1 h VAL 90 Ca -0.50 -3.06 -0.68 0.00 0.82 0.00 0.00 66.70 63.29 2wr1 h VAL 90 Cb 1.24 2.84 -0.27 0.00 -1.52 0.00 0.00 31.29 33.58 2wr1 h VAL 90 CO 0.63 0.89 -0.64 0.20 0.02 0.00 0.00 177.57 178.67 2wr1 s ASN 91 N -7.02 5.01 0.00 0.57 0.02 -0.29 -4.98 114.94 108.24 2wr1 s ASN 91 Ca -0.03 -0.78 0.00 0.00 -1.02 0.00 0.00 52.86 51.04 2wr1 s ASN 91 Cb 0.08 -1.84 0.00 0.00 0.02 0.00 0.00 41.25 39.51 2wr1 s ASN 91 CO 0.86 -0.19 0.00 0.61 0.02 0.00 0.00 177.10 178.40 2wr1 n GLY 92 N 4.83 3.52 3.53 0.66 0.00 -1.26 -1.08 105.19 115.40 2wr1 n GLY 92 Ca -0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2wr1 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr1 s LEU 93 N 0.00 3.73 0.11 0.99 1.43 -1.26 -4.19 118.68 119.49 2wr1 s LEU 93 Ca 0.00 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 51.67 2wr1 s LEU 93 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2wr1 s LEU 93 CO 0.00 -1.51 1.53 0.00 0.23 0.00 0.00 176.35 176.60 2wr1 s TYR 95 N -4.86 3.45 0.65 0.00 5.04 -1.26 -4.61 117.35 115.76 2wr1 s TYR 95 Ca -0.13 1.52 -0.14 0.00 -2.44 0.00 0.00 57.07 55.88 2wr1 s TYR 95 Cb 0.09 -3.24 -0.00 0.00 0.35 0.00 0.00 41.96 39.16 2wr1 s TYR 95 CO 0.79 -0.44 1.09 -1.25 -1.34 0.00 0.00 175.55 174.40 2wr1 s PRO 96 N 2.05 2.91 0.00 4.97 0.04 -1.25 -4.76 135.00 138.96 2wr1 s PRO 96 Ca 0.50 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2wr1 s PRO 96 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2wr1 s PRO 96 CO 0.19 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2wr1 n GLY 97 N -0.84 -0.57 3.71 0.56 0.00 -1.26 -0.67 105.19 106.11 2wr1 n GLY 97 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 2wr1 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 98 N -4.00 -0.19 -0.14 1.61 1.04 -0.66 -4.93 113.70 106.44 2wr1 s SER 98 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2wr1 s SER 98 Cb 0.00 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.80 2wr1 s SER 98 CO 0.00 -1.23 -0.13 0.12 0.98 0.00 0.00 173.24 172.98 2wr1 s PHE 99 N -3.96 2.01 0.39 5.02 2.19 -1.26 -0.93 117.98 121.44 2wr1 s PHE 99 Ca 0.16 -1.08 -0.26 0.00 0.33 0.00 0.00 56.93 56.07 2wr1 s PHE 99 Cb -0.03 -1.50 -0.09 0.00 -1.31 0.00 0.00 43.02 40.09 2wr1 s PHE 99 CO 0.07 -0.61 1.22 -0.80 1.83 0.00 0.00 175.22 176.93 2wr1 s ASN 100 N 1.45 6.49 -1.71 6.13 0.01 0.43 -3.15 114.94 124.58 2wr1 s ASN 100 Ca 0.03 2.48 -0.12 0.00 -0.71 0.00 0.00 52.86 54.53 2wr1 s ASN 100 Cb -0.13 -2.63 0.12 0.00 0.41 0.00 0.00 41.25 39.02 2wr1 s ASN 100 CO -0.09 -0.71 0.35 0.47 -1.51 0.00 0.00 177.10 175.62 2wr1 n ASP 101 N 0.19 -0.69 -0.31 -1.22 8.00 -1.26 -4.63 116.55 116.64 2wr1 n ASP 101 Ca 0.04 -1.23 -0.05 0.00 0.71 0.00 0.00 54.79 54.25 2wr1 n ASP 101 Cb 0.45 -1.76 0.07 0.00 -0.02 0.00 0.00 41.12 39.86 2wr1 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr1 h TYR 102 N -1.36 1.21 -0.55 1.24 3.20 -1.95 -2.58 116.97 116.19 2wr1 h TYR 102 Ca -0.63 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.07 2wr1 h TYR 102 Cb 1.39 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2wr1 h TYR 102 CO 0.61 0.88 -0.08 0.93 -1.64 0.00 0.00 178.16 178.87 2wr1 h GLU 103 N 1.19 1.02 -0.62 1.82 3.07 -1.89 0.76 114.58 119.93 2wr1 h GLU 103 Ca 0.28 -0.36 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2wr1 h GLU 103 Cb 0.14 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2wr1 h GLU 103 CO -0.03 1.04 0.39 0.93 -1.40 0.00 0.00 179.01 179.94 2wr1 h GLU 104 N 0.91 0.75 -0.64 2.33 4.39 -1.89 -1.17 114.58 119.26 2wr1 h GLU 104 Ca 0.15 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2wr1 h GLU 104 Cb 0.64 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2wr1 h GLU 104 CO 0.04 0.50 0.23 1.25 -1.16 0.00 0.00 179.01 179.87 2wr1 h LEU 105 N 0.77 0.90 -0.99 1.33 5.85 -0.97 -0.65 115.31 121.55 2wr1 h LEU 105 Ca 0.24 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2wr1 h LEU 105 Cb -0.01 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 2wr1 h LEU 105 CO -0.09 0.84 0.65 0.11 -0.34 0.00 0.00 178.44 179.61 2wr1 h LYS 106 N 0.91 1.22 -0.18 1.25 1.57 -0.66 -2.29 116.57 118.38 2wr1 h LYS 106 Ca 0.21 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 2wr1 h LYS 106 Cb 0.24 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wr1 h LYS 106 CO -0.01 0.81 -0.65 1.25 -0.57 0.00 0.00 179.45 180.27 2wr1 h HIS 107 N 1.26 0.90 -0.93 -1.35 2.76 -0.76 -2.97 115.15 114.05 2wr1 h HIS 107 Ca 0.40 -0.36 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 2wr1 h HIS 107 Cb 0.00 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 28.74 2wr1 h HIS 107 CO -0.00 1.15 0.58 1.25 -1.30 0.00 0.00 177.93 179.61 2wr1 h LEU 108 N 0.50 0.91 -3.38 0.26 5.85 -0.55 -2.92 115.31 115.97 2wr1 h LEU 108 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wr1 h LEU 108 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2wr1 h LEU 108 CO 0.13 0.56 0.00 2.30 -0.34 0.00 0.00 178.44 181.09 2wr1 n ILE 109 N -4.59 2.38 0.04 4.05 -5.35 -1.09 -4.48 119.36 110.32 2wr1 n ILE 109 Ca 0.15 -1.39 -0.02 0.00 -0.27 0.00 0.00 62.75 61.22 2wr1 n ILE 109 Cb 0.22 -0.13 0.25 0.00 -1.74 0.00 0.00 39.64 38.24 2wr1 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wr1 h THR 110 N 3.76 1.25 -3.30 7.28 1.03 -1.37 -3.42 112.91 118.15 2wr1 h THR 110 Ca 0.00 -1.14 -0.28 0.00 -0.01 0.00 0.00 66.41 64.98 2wr1 h THR 110 Cb 1.73 1.30 -0.34 0.00 -1.07 0.00 0.00 68.15 69.78 2wr1 h THR 110 CO 0.37 0.36 -0.65 -0.55 -0.01 0.00 0.00 175.52 175.04 2wr1 s SER 111 N -6.82 0.23 0.02 0.00 0.15 -1.26 -3.14 113.70 102.88 2wr1 s SER 111 Ca -0.06 0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2wr1 s SER 111 Cb 0.14 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 2wr1 s SER 111 CO 0.77 -0.17 -0.03 0.68 1.20 0.00 0.00 173.24 175.69 2wr1 s VAL 112 N 1.46 0.19 -0.55 4.45 -7.23 -0.78 -4.44 120.40 113.50 2wr1 s VAL 112 Ca -0.05 -0.71 0.23 0.00 -1.81 0.00 0.00 61.98 59.63 2wr1 s VAL 112 Cb -0.12 -0.28 -0.11 0.00 0.56 0.00 0.00 36.38 36.43 2wr1 s VAL 112 CO -0.05 -0.34 1.01 0.35 -0.31 0.00 0.00 175.10 175.76 2wr1 n THR 113 N 1.97 0.20 -3.60 5.32 -2.24 0.24 -2.29 114.28 113.89 2wr1 n THR 113 Ca -0.21 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2wr1 n THR 113 Cb 0.56 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 2wr1 n THR 113 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2wr1 s HIS 114 N -3.23 -0.70 -0.23 4.78 5.65 -0.98 -4.68 115.29 115.91 2wr1 s HIS 114 Ca 0.03 1.54 -0.10 0.00 0.25 0.00 0.00 55.06 56.78 2wr1 s HIS 114 Cb 0.14 0.33 0.09 0.00 -1.18 0.00 0.00 32.58 31.96 2wr1 s HIS 114 CO 0.80 -0.43 0.53 0.12 -0.65 0.00 0.00 174.74 175.12 2wr1 s PHE 115 N -0.17 -0.94 -0.20 3.88 5.36 -0.35 -0.93 117.98 124.63 2wr1 s PHE 115 Ca -0.03 1.80 -0.06 0.00 -0.96 0.00 0.00 56.93 57.67 2wr1 s PHE 115 Cb -0.03 0.49 0.09 0.00 -0.34 0.00 0.00 43.02 43.23 2wr1 s PHE 115 CO 0.03 -0.50 0.41 -2.00 -1.46 0.00 0.00 175.22 171.69 2wr1 s GLU 116 N 2.16 0.31 0.11 10.12 2.12 -0.40 -4.63 118.70 128.49 2wr1 s GLU 116 Ca -0.07 0.98 -0.30 0.00 0.36 0.00 0.00 54.97 55.95 2wr1 s GLU 116 Cb -0.10 0.26 -0.07 0.00 0.26 0.00 0.00 34.13 34.49 2wr1 s GLU 116 CO -0.16 -0.28 1.21 0.21 -0.54 0.00 0.00 175.26 175.70 2wr1 s LYS 117 N 2.60 4.45 -0.02 4.30 2.20 -1.26 -0.83 119.74 131.17 2wr1 s LYS 117 Ca -0.01 1.83 0.04 0.00 -0.36 0.00 0.00 55.97 57.47 2wr1 s LYS 117 Cb -0.12 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2wr1 s LYS 117 CO -0.13 -0.20 -0.15 0.08 -0.36 0.00 0.00 175.35 174.60 2wr1 s VAL 118 N 0.64 1.18 -0.44 4.02 1.01 0.11 -4.95 120.40 121.97 2wr1 s VAL 118 Ca 0.57 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2wr1 s VAL 118 Cb -0.31 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2wr1 s VAL 118 CO 0.32 0.34 1.32 -0.75 0.00 0.00 0.00 175.10 176.33 2wr1 s LYS 119 N -0.18 3.61 -0.07 2.72 2.20 -1.26 -0.72 119.74 126.04 2wr1 s LYS 119 Ca 0.02 0.79 0.15 0.00 -0.36 0.00 0.00 55.97 56.57 2wr1 s LYS 119 Cb -0.08 -3.99 -0.22 0.00 -1.51 0.00 0.00 37.83 32.03 2wr1 s LYS 119 CO 0.00 -1.53 0.24 0.44 -0.36 0.00 0.00 175.35 174.14 2wr1 n ILE 120 N 7.01 0.38 -3.25 5.43 -5.35 -0.38 -4.80 119.36 118.39 2wr1 n ILE 120 Ca 0.15 -0.46 -0.25 0.00 -0.27 0.00 0.00 62.75 61.92 2wr1 n ILE 120 Cb 0.48 -0.14 -0.08 0.00 -1.74 0.00 0.00 39.64 38.16 2wr1 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr1 n LEU 121 N -2.24 -0.11 -4.61 7.28 4.77 -0.64 -4.93 117.00 116.52 2wr1 n LEU 121 Ca -0.11 -4.56 -0.50 0.00 -0.03 0.00 0.00 56.01 50.81 2wr1 n LEU 121 Cb 0.63 0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 42.28 2wr1 n LEU 121 CO 0.33 2.00 0.95 -2.65 -1.33 0.00 0.00 177.39 176.68 2wr1 n PRO 122 N 1.92 1.37 0.23 3.23 -0.02 -1.26 -4.57 135.00 135.88 2wr1 n PRO 122 Ca 0.24 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.30 2wr1 n PRO 122 Cb 0.51 -2.15 0.54 0.00 -0.02 0.00 0.00 33.50 32.39 2wr1 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr1 h ARG 123 N 4.72 0.00 0.00 -0.52 0.11 -1.96 -2.30 114.38 114.43 2wr1 h ARG 123 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2wr1 h ARG 123 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2wr1 h ARG 123 CO 0.79 0.23 0.00 0.38 0.10 0.00 0.00 179.97 181.47 2wr1 h ASP 124 N 0.00 0.00 0.01 0.08 3.04 -2.00 -2.43 116.42 115.12 2wr1 h ASP 124 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2wr1 h ASP 124 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2wr1 h ASP 124 CO 0.03 0.00 -0.01 0.00 -2.04 0.00 0.00 179.24 177.22 2wr1 n GLN 125 N -3.03 1.35 -1.60 4.15 6.02 -0.87 -4.22 117.38 119.19 2wr1 n GLN 125 Ca -0.02 -0.55 -0.41 0.00 -0.01 0.00 0.00 57.00 56.00 2wr1 n GLN 125 Cb 0.10 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 2wr1 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr1 n TRP 126 N -0.35 3.18 0.33 1.08 7.02 -0.92 -4.79 117.44 122.99 2wr1 n TRP 126 Ca 0.21 -2.85 0.15 0.00 -1.02 0.00 0.00 57.50 53.99 2wr1 n TRP 126 Cb 0.26 -2.44 0.61 0.00 -2.42 0.00 0.00 31.31 27.31 2wr1 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr1 h THR 127 N 3.92 0.00 -0.58 -0.99 1.35 -1.87 -2.62 112.91 112.12 2wr1 h THR 127 Ca 0.59 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 2wr1 h THR 127 Cb 0.59 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2wr1 h THR 127 CO 1.88 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 177.15 2wr1 n GLN 128 N -2.78 3.92 -3.89 4.72 6.02 -1.26 -4.97 117.38 119.14 2wr1 n GLN 128 Ca 0.01 -2.92 -0.09 0.00 -0.01 0.00 0.00 57.00 53.99 2wr1 n GLN 128 Cb 0.29 -1.95 -0.08 0.00 1.02 0.00 0.00 30.24 29.51 2wr1 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr1 s HIS 129 N -2.13 0.19 0.24 1.08 3.76 -0.99 -4.52 115.29 112.93 2wr1 s HIS 129 Ca 0.50 -0.62 -0.18 0.00 -0.15 0.00 0.00 55.06 54.61 2wr1 s HIS 129 Cb 0.34 -0.10 -0.08 0.00 1.11 0.00 0.00 32.58 33.85 2wr1 s HIS 129 CO 0.21 -0.50 0.72 0.99 -0.85 0.00 0.00 174.74 175.30 2wr1 s THR 130 N -3.69 4.61 0.00 1.30 2.01 -0.52 -4.89 115.64 114.45 2wr1 s THR 130 Ca 0.04 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2wr1 s THR 130 Cb 0.04 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.77 2wr1 s THR 130 CO -0.10 0.11 0.11 0.41 -0.69 0.00 0.00 174.62 174.45 2wr1 n THR 131 N 0.45 0.00 0.97 -0.82 -1.04 -1.26 -0.72 114.28 111.85 2wr1 n THR 131 Ca -0.01 -0.15 0.11 0.00 -2.04 0.00 0.00 64.05 61.96 2wr1 n THR 131 Cb 0.52 1.49 0.07 0.00 -1.82 0.00 0.00 70.33 70.58 2wr1 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr1 n THR 132 N -0.09 0.00 -1.87 12.58 -2.24 -1.26 -4.46 114.28 116.94 2wr1 n THR 132 Ca 0.00 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 2wr1 n THR 132 Cb 0.12 1.43 0.03 0.00 -2.10 0.00 0.00 70.33 69.81 2wr1 n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wr1 s GLY 133 N -2.06 2.86 0.17 3.38 0.00 -1.26 -5.02 107.32 105.39 2wr1 s GLY 133 Ca 0.25 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.20 2wr1 s GLY 133 CO 0.36 1.74 0.25 0.61 0.00 0.00 0.00 173.10 176.05 2wr1 n GLY 134 N 0.68 2.52 2.98 0.20 0.00 -1.26 -4.57 105.19 105.74 2wr1 n GLY 134 Ca 0.10 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 2wr1 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr1 s SER 135 N -2.01 0.47 0.62 1.61 0.15 0.71 -4.80 113.70 110.45 2wr1 s SER 135 Ca 0.13 -0.35 0.41 0.00 0.70 0.00 0.00 55.95 56.83 2wr1 s SER 135 Cb -0.01 0.03 2.04 0.00 -1.71 0.00 0.00 66.02 66.37 2wr1 s SER 135 CO 0.09 -0.15 2.23 -0.09 1.20 0.00 0.00 173.24 176.52 2wr1 h ARG 136 N 5.11 0.00 0.00 5.44 2.43 -1.92 -1.71 114.38 123.74 2wr1 h ARG 136 Ca -0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2wr1 h ARG 136 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2wr1 h ARG 136 CO 0.44 0.00 -0.12 0.00 -1.51 0.00 0.00 179.97 178.78 2wr1 h ALA 137 N 2.00 1.58 -0.57 2.80 0.00 -1.88 -2.14 119.26 121.06 2wr1 h ALA 137 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2wr1 h ALA 137 Cb 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 2wr1 h ALA 137 CO 0.00 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.57 2wr1 n ALA 139 N -1.04 2.38 -4.05 0.00 0.00 -0.81 -3.62 120.51 113.38 2wr1 n ALA 139 Ca 0.41 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.90 2wr1 n ALA 139 Cb 1.25 -2.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 2wr1 n ALA 139 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wr1 s VAL 140 N -0.48 2.03 -1.33 0.00 1.01 0.60 -4.87 120.40 117.36 2wr1 s VAL 140 Ca 0.60 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2wr1 s VAL 140 Cb -0.50 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2wr1 s VAL 140 CO 0.55 0.04 0.58 -0.11 0.00 0.00 0.00 175.10 176.15 2wr1 n LEU 141 N 4.50 -2.67 -2.87 3.92 0.00 -1.26 0.49 117.00 119.11 2wr1 n LEU 141 Ca -0.15 -0.94 -0.26 0.00 0.00 0.00 0.00 56.01 54.67 2wr1 n LEU 141 Cb 0.43 -2.42 -0.03 0.00 0.00 0.00 0.00 43.42 41.41 2wr1 n LEU 141 CO 0.21 0.43 0.11 -0.90 0.00 0.00 0.00 177.39 177.24 2wr1 n ASP 142 N -2.97 4.08 -4.87 1.96 3.85 -1.26 -5.09 116.55 112.25 2wr1 n ASP 142 Ca -0.27 -3.60 -0.33 0.00 -0.71 0.00 0.00 54.79 49.87 2wr1 n ASP 142 Cb 0.67 -0.55 -0.05 0.00 -1.35 0.00 0.00 41.12 39.84 2wr1 n ASP 142 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 2wr1 s ASN 143 N -3.38 6.66 0.19 -1.12 0.01 0.18 -4.99 114.94 112.49 2wr1 s ASN 143 Ca 0.47 0.87 -0.32 0.00 -0.71 0.00 0.00 52.86 53.18 2wr1 s ASN 143 Cb 0.32 -2.21 -0.16 0.00 0.41 0.00 0.00 41.25 39.61 2wr1 s ASN 143 CO -0.14 0.05 1.08 -2.65 -1.51 0.00 0.00 177.10 173.93 2wr1 n PRO 144 N 0.40 1.05 -0.93 -0.60 -0.02 -1.26 -0.29 135.00 133.34 2wr1 n PRO 144 Ca -0.04 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2wr1 n PRO 144 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2wr1 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr1 n SER 145 N 1.85 0.35 -3.58 2.55 2.88 -0.95 -4.66 113.62 112.07 2wr1 n SER 145 Ca 0.15 -0.47 -0.11 0.00 -1.33 0.00 0.00 58.87 57.11 2wr1 n SER 145 Cb 0.25 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 2wr1 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr1 s PHE 146 N -1.19 -0.31 -0.41 0.66 5.36 -1.26 -0.21 117.98 120.62 2wr1 s PHE 146 Ca 0.00 0.02 -0.42 0.00 -0.96 0.00 0.00 56.93 55.57 2wr1 s PHE 146 Cb 0.00 0.41 -0.17 0.00 -0.34 0.00 0.00 43.02 42.92 2wr1 s PHE 146 CO 0.00 -0.81 1.89 1.19 -1.46 0.00 0.00 175.22 176.02 2wr1 n PHE 147 N -0.31 1.67 0.29 10.12 3.72 -1.26 -4.56 117.46 127.12 2wr1 n PHE 147 Ca -0.15 0.71 0.18 0.00 -0.05 0.00 0.00 57.45 58.14 2wr1 n PHE 147 Cb 0.64 -2.37 0.84 0.00 -0.94 0.00 0.00 39.48 37.65 2wr1 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr1 h ARG 148 N 7.97 0.00 -0.01 -1.08 3.08 -0.44 -2.55 114.38 121.36 2wr1 h ARG 148 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2wr1 h ARG 148 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2wr1 h ARG 148 CO 1.01 0.04 -0.28 0.09 -1.07 0.00 0.00 179.97 179.76 2wr1 n ASN 149 N -3.22 0.84 -4.69 7.04 3.02 -0.55 -4.93 115.26 112.77 2wr1 n ASN 149 Ca -0.01 -0.70 -0.25 0.00 -0.03 0.00 0.00 54.58 53.59 2wr1 n ASN 149 Cb 0.23 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 2wr1 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr1 s MET 150 N -2.60 2.15 -0.16 3.52 -1.94 -0.96 -0.76 119.30 118.55 2wr1 s MET 150 Ca 0.22 -1.82 -0.00 0.00 -1.71 0.00 0.00 55.69 52.38 2wr1 s MET 150 Cb 0.19 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 35.13 2wr1 s MET 150 CO 0.55 -0.01 -0.06 0.08 -0.01 0.00 0.00 175.02 175.57 2wr1 s VAL 151 N -2.57 1.16 -0.72 -6.03 1.01 0.49 -4.78 120.40 108.96 2wr1 s VAL 151 Ca 0.38 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 2wr1 s VAL 151 Cb 0.03 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.14 2wr1 s VAL 151 CO 0.21 0.16 1.23 0.86 0.00 0.00 0.00 175.10 177.56 2wr1 s TRP 152 N 1.62 2.36 -0.05 5.22 -0.11 -1.26 -1.95 118.94 124.76 2wr1 s TRP 152 Ca 0.01 -0.09 -0.30 0.00 1.22 0.00 0.00 56.10 56.94 2wr1 s TRP 152 Cb -0.15 -4.57 -0.03 0.00 -1.50 0.00 0.00 33.47 27.21 2wr1 s TRP 152 CO -0.08 -1.99 1.23 -0.51 -4.62 0.00 0.00 176.95 170.98 2wr1 s LEU 153 N 5.45 4.28 0.43 5.86 1.43 -1.22 -4.31 118.68 130.59 2wr1 s LEU 153 Ca 0.34 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.32 2wr1 s LEU 153 Cb -0.09 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 2wr1 s LEU 153 CO 0.15 -0.61 0.09 0.42 0.23 0.00 0.00 176.35 176.63 2wr1 s THR 154 N 2.28 0.83 0.65 5.49 -4.23 0.10 -4.68 115.64 116.09 2wr1 s THR 154 Ca 0.57 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.92 2wr1 s THR 154 Cb -0.25 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 2wr1 s THR 154 CO 0.22 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.84 2wr1 s LYS 155 N -3.77 2.78 -0.24 3.99 -2.85 0.05 -1.44 119.74 118.26 2wr1 s LYS 155 Ca 0.21 1.47 -0.06 0.00 -1.00 0.00 0.00 55.97 56.59 2wr1 s LYS 155 Cb 0.03 -1.94 -0.02 0.00 -2.06 0.00 0.00 37.83 33.84 2wr1 s LYS 155 CO 0.12 -1.28 0.03 0.21 0.10 0.00 0.00 175.35 174.53 2wr1 s LYS 156 N -3.97 3.54 5.69 1.78 2.20 0.60 -4.07 119.74 125.51 2wr1 s LYS 156 Ca 0.69 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2wr1 s LYS 156 Cb -0.22 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2wr1 s LYS 156 CO 0.40 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 2wr1 n GLY 157 N 4.88 3.66 1.02 5.54 0.00 -1.26 -1.57 105.19 117.45 2wr1 n GLY 157 Ca -0.17 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2wr1 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr1 n SER 158 N 7.17 3.27 -4.42 1.61 3.41 -1.26 -4.96 113.62 118.43 2wr1 n SER 158 Ca 0.00 -1.93 -0.33 0.00 -0.26 0.00 0.00 58.87 56.35 2wr1 n SER 158 Cb 0.00 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 2wr1 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr1 s ASN 159 N -1.28 3.98 -0.48 4.04 -0.87 -0.61 -4.86 114.94 114.86 2wr1 s ASN 159 Ca 0.34 -0.27 0.04 0.00 -1.57 0.00 0.00 52.86 51.40 2wr1 s ASN 159 Cb 0.20 -1.19 0.13 0.00 -0.02 0.00 0.00 41.25 40.37 2wr1 s ASN 159 CO 0.27 0.26 0.23 -0.47 -2.57 0.00 0.00 177.10 174.82 2wr1 s TYR 160 N -0.23 3.03 1.04 2.20 5.04 -1.26 -0.29 117.35 126.87 2wr1 s TYR 160 Ca 0.01 -3.01 -0.14 0.00 -2.44 0.00 0.00 57.07 51.49 2wr1 s TYR 160 Cb -0.13 -2.66 0.21 0.00 0.35 0.00 0.00 41.96 39.72 2wr1 s TYR 160 CO 0.03 -0.77 1.11 -2.14 -1.34 0.00 0.00 175.55 172.43 2wr1 s PRO 161 N -0.02 0.09 0.11 4.97 0.02 -1.26 -4.92 135.00 134.00 2wr1 s PRO 161 Ca 0.16 0.31 -0.34 0.00 0.02 0.00 0.00 61.00 61.15 2wr1 s PRO 161 Cb -0.25 -1.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 2wr1 s PRO 161 CO -0.01 -2.91 1.67 1.51 -0.33 0.00 0.00 177.00 176.93 2wr1 n ILE 162 N -4.26 0.15 -3.44 2.83 3.06 -1.26 -4.80 119.36 111.64 2wr1 n ILE 162 Ca 0.07 -0.03 -0.39 0.00 -2.50 0.00 0.00 62.75 59.91 2wr1 n ILE 162 Cb 0.58 -1.69 -0.10 0.00 0.54 0.00 0.00 39.64 38.98 2wr1 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr1 s ALA 163 N 1.73 3.56 -0.12 1.51 0.00 0.68 -4.95 121.76 124.17 2wr1 s ALA 163 Ca 0.82 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2wr1 s ALA 163 Cb -0.65 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2wr1 s ALA 163 CO 0.40 -0.63 0.22 0.21 0.00 0.00 0.00 175.76 175.96 2wr1 s LYS 164 N 2.00 0.11 0.03 0.00 2.20 -1.26 -0.64 119.74 122.18 2wr1 s LYS 164 Ca 0.13 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.25 2wr1 s LYS 164 Cb -0.16 -0.23 0.01 0.00 -1.51 0.00 0.00 37.83 35.95 2wr1 s LYS 164 CO 0.10 -0.33 0.25 1.03 -0.36 0.00 0.00 175.35 176.05 2wr1 s ARG 165 N 2.36 0.71 0.17 4.03 0.52 -0.93 -5.03 118.95 120.79 2wr1 s ARG 165 Ca 0.02 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2wr1 s ARG 165 Cb -0.12 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 2wr1 s ARG 165 CO -0.08 -0.21 0.04 -1.54 0.02 0.00 0.00 175.30 173.54 2wr1 s SER 166 N -1.88 0.74 -0.10 0.23 1.04 -1.26 -0.66 113.70 111.82 2wr1 s SER 166 Ca -0.07 -1.23 -0.06 0.00 0.48 0.00 0.00 55.95 55.07 2wr1 s SER 166 Cb -0.02 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.36 2wr1 s SER 166 CO -0.02 -0.68 0.24 -0.47 0.98 0.00 0.00 173.24 173.29 2wr1 s TYR 167 N -3.87 -0.30 -0.28 5.02 5.04 -0.41 -4.97 117.35 117.58 2wr1 s TYR 167 Ca 0.27 0.73 -0.12 0.00 -2.44 0.00 0.00 57.07 55.51 2wr1 s TYR 167 Cb 0.07 0.05 -0.05 0.00 0.35 0.00 0.00 41.96 42.39 2wr1 s TYR 167 CO 0.05 -0.20 0.22 1.21 -1.34 0.00 0.00 175.55 175.49 2wr1 s ASN 168 N 0.93 6.06 -1.08 4.32 3.84 -1.26 -1.34 114.94 126.42 2wr1 s ASN 168 Ca -0.07 0.04 -0.24 0.00 0.21 0.00 0.00 52.86 52.80 2wr1 s ASN 168 Cb -0.08 -2.14 -0.09 0.00 -0.55 0.00 0.00 41.25 38.40 2wr1 s ASN 168 CO -0.06 -0.07 1.97 0.21 -2.79 0.00 0.00 177.10 176.36 2wr1 s ASN 169 N 1.74 4.87 -0.33 -4.21 2.47 0.13 -4.73 114.94 114.87 2wr1 s ASN 169 Ca 0.08 -1.25 0.06 0.00 0.42 0.00 0.00 52.86 52.18 2wr1 s ASN 169 Cb -0.16 -2.58 0.64 0.00 -1.45 0.00 0.00 41.25 37.70 2wr1 s ASN 169 CO 0.11 -3.17 1.74 0.35 -3.72 0.00 0.00 177.10 172.41 2wr1 n THR 170 N 7.98 2.78 0.19 -5.21 -2.24 -1.26 0.19 114.28 116.71 2wr1 n THR 170 Ca 0.43 -1.54 0.10 0.00 -2.27 0.00 0.00 64.05 60.77 2wr1 n THR 170 Cb 0.47 -0.46 0.13 0.00 -2.10 0.00 0.00 70.33 68.37 2wr1 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr1 h SER 171 N 1.77 0.00 0.00 3.42 4.64 -1.98 -3.47 113.55 117.93 2wr1 h SER 171 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wr1 h SER 171 Cb 2.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.47 2wr1 h SER 171 CO 0.80 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2wr1 n GLY 172 N 1.13 0.43 3.13 -0.77 0.00 -1.26 -5.04 105.19 102.81 2wr1 n GLY 172 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2wr1 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 173 N -0.86 0.74 0.57 1.61 2.02 -1.26 -5.02 118.70 116.50 2wr1 s GLU 173 Ca 0.00 -1.29 -0.21 0.00 0.02 0.00 0.00 54.97 53.49 2wr1 s GLU 173 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 2wr1 s GLU 173 CO 0.00 -0.09 1.25 1.04 0.02 0.00 0.00 175.26 177.48 2wr1 n GLN 174 N 0.02 1.41 -4.19 1.61 6.02 -1.26 -4.46 117.38 116.53 2wr1 n GLN 174 Ca -0.12 0.53 -0.25 0.00 -0.01 0.00 0.00 57.00 57.14 2wr1 n GLN 174 Cb 0.61 -2.46 -0.17 0.00 1.02 0.00 0.00 30.24 29.24 2wr1 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr1 s MET 175 N -2.91 1.54 0.02 -1.09 1.75 -0.28 -1.33 119.30 117.00 2wr1 s MET 175 Ca 0.74 -0.31 -0.30 0.00 -1.25 0.00 0.00 55.69 54.57 2wr1 s MET 175 Cb -0.42 -1.46 -0.05 0.00 2.84 0.00 0.00 34.83 35.74 2wr1 s MET 175 CO 0.47 -0.14 1.29 -1.17 -0.65 0.00 0.00 175.02 174.82 2wr1 s LEU 176 N 1.24 4.33 -0.03 4.11 2.96 -0.31 0.45 118.68 131.42 2wr1 s LEU 176 Ca -0.04 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 2wr1 s LEU 176 Cb -0.14 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.99 2wr1 s LEU 176 CO -0.03 -0.60 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.68 2wr1 s ILE 177 N 1.77 0.82 0.04 6.68 1.01 -0.42 -0.86 121.20 130.24 2wr1 s ILE 177 Ca 0.60 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.97 2wr1 s ILE 177 Cb -0.30 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2wr1 s ILE 177 CO 0.27 0.26 -0.24 -0.63 0.00 0.00 0.00 174.94 174.59 2wr1 s ILE 178 N 0.28 2.32 0.19 2.92 1.01 -1.26 -1.05 121.20 125.60 2wr1 s ILE 178 Ca -0.05 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.20 2wr1 s ILE 178 Cb -0.10 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 2wr1 s ILE 178 CO 0.01 0.36 0.26 -1.66 0.00 0.00 0.00 174.94 173.91 2wr1 s TRP 179 N -0.84 0.63 0.20 3.97 -2.14 -0.53 -3.55 118.94 116.69 2wr1 s TRP 179 Ca 0.12 -0.96 -0.05 0.00 2.66 0.00 0.00 56.10 57.87 2wr1 s TRP 179 Cb -0.10 -0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.07 2wr1 s TRP 179 CO 0.03 -0.74 0.23 0.20 -2.66 0.00 0.00 176.95 174.01 2wr1 s GLY 180 N -3.04 1.04 0.01 3.67 0.00 -0.30 0.38 107.32 109.09 2wr1 s GLY 180 Ca 0.24 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.65 2wr1 s GLY 180 CO 0.05 -1.13 -0.14 -1.50 0.00 0.00 0.00 173.10 170.38 2wr1 s ILE 181 N -4.09 1.15 -0.23 0.90 2.07 0.21 -0.48 121.20 120.73 2wr1 s ILE 181 Ca 0.30 -0.80 -0.14 0.00 -1.41 0.00 0.00 60.65 58.60 2wr1 s ILE 181 Cb 0.05 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 2wr1 s ILE 181 CO 0.09 0.18 0.34 -2.28 -1.91 0.00 0.00 174.94 171.35 2wr1 s HIS 182 N -0.57 3.32 -0.60 3.50 5.65 -0.60 -1.27 115.29 124.72 2wr1 s HIS 182 Ca 0.04 0.47 -0.11 0.00 0.25 0.00 0.00 55.06 55.70 2wr1 s HIS 182 Cb -0.07 -2.48 0.15 0.00 -1.18 0.00 0.00 32.58 29.01 2wr1 s HIS 182 CO 0.00 -0.06 0.51 -1.01 -0.65 0.00 0.00 174.74 173.53 2wr1 s HIS 183 N 1.48 3.47 0.86 3.88 0.09 0.22 -4.65 115.29 120.63 2wr1 s HIS 183 Ca 0.15 -1.87 -0.11 0.00 -0.00 0.00 0.00 55.06 53.23 2wr1 s HIS 183 Cb -0.15 -3.62 0.11 0.00 -0.00 0.00 0.00 32.58 28.92 2wr1 s HIS 183 CO 0.08 -0.98 1.10 -2.14 -0.00 0.00 0.00 174.74 172.80 2wr1 s PRO 184 N 0.92 1.54 0.18 8.40 0.02 -1.25 -0.96 135.00 143.84 2wr1 s PRO 184 Ca 0.10 1.14 0.04 0.00 0.02 0.00 0.00 61.00 62.30 2wr1 s PRO 184 Cb -0.22 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.51 2wr1 s PRO 184 CO -0.02 -2.14 1.40 -0.97 -0.33 0.00 0.00 177.00 174.94 2wr1 h ASN 185 N -1.49 0.20 -5.05 2.53 -1.24 -1.78 -2.19 115.58 106.57 2wr1 h ASN 185 Ca -0.46 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 56.43 2wr1 h ASN 185 Cb 1.26 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 40.19 2wr1 h ASN 185 CO 0.50 0.95 0.17 1.51 -1.29 0.00 0.00 177.43 179.27 2wr1 s ASP 186 N -6.90 -0.21 0.19 1.15 1.47 -1.26 -2.27 116.67 108.84 2wr1 s ASP 186 Ca -0.02 -0.70 -0.10 0.00 1.18 0.00 0.00 52.55 52.90 2wr1 s ASP 186 Cb 0.10 0.71 0.10 0.00 -0.34 0.00 0.00 42.92 43.49 2wr1 s ASP 186 CO 0.82 -1.33 1.72 0.44 0.68 0.00 0.00 175.17 177.49 2wr1 h ASP 187 N 2.04 0.98 -0.70 2.11 3.32 -1.95 -2.19 116.42 120.04 2wr1 h ASP 187 Ca -0.21 -0.21 0.10 0.00 0.02 0.00 0.00 57.03 56.73 2wr1 h ASP 187 Cb 1.25 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 2wr1 h ASP 187 CO 0.26 0.93 0.32 0.00 -1.72 0.00 0.00 179.24 179.04 2wr1 h ALA 188 N 1.08 0.96 -0.15 3.45 0.00 -1.99 -0.67 119.26 121.94 2wr1 h ALA 188 Ca 0.21 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wr1 h ALA 188 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wr1 h ALA 188 CO -0.00 -0.10 0.08 1.49 0.00 0.00 0.00 179.25 180.71 2wr1 h GLU 189 N 0.54 0.21 -0.65 0.00 4.81 -1.88 0.02 114.58 117.63 2wr1 h GLU 189 Ca 0.35 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 2wr1 h GLU 189 Cb 0.42 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 2wr1 h GLU 189 CO -0.30 0.22 0.31 0.37 -0.73 0.00 0.00 179.01 178.89 2wr1 h GLN 190 N 0.14 0.54 -0.04 1.92 5.75 -0.76 -1.70 115.11 120.97 2wr1 h GLN 190 Ca 0.05 -0.03 -0.23 0.00 -0.15 0.00 0.00 58.65 58.29 2wr1 h GLN 190 Cb 0.08 -0.12 0.02 0.00 1.07 0.00 0.00 27.48 28.52 2wr1 h GLN 190 CO -0.01 0.36 -0.88 0.00 -2.65 0.00 0.00 178.83 175.66 2wr1 h ARG 191 N 0.56 0.66 -0.41 1.69 3.08 -0.89 -0.33 114.38 118.74 2wr1 h ARG 191 Ca 0.31 -0.66 0.05 0.00 0.07 0.00 0.00 59.98 59.76 2wr1 h ARG 191 Cb 0.30 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2wr1 h ARG 191 CO -0.24 1.26 0.12 1.15 -1.07 0.00 0.00 179.97 181.19 2wr1 h THR 192 N 0.31 0.85 0.14 2.04 2.02 -0.72 -0.57 112.91 116.98 2wr1 h THR 192 Ca -0.10 -0.09 -0.27 0.00 0.77 0.00 0.00 66.41 66.72 2wr1 h THR 192 Cb 1.54 0.55 0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2wr1 h THR 192 CO 0.17 0.05 -1.15 -0.07 0.37 0.00 0.00 175.52 174.90 2wr1 h LEU 193 N 0.27 0.76 -0.24 2.58 3.38 -1.33 -3.42 115.31 117.32 2wr1 h LEU 193 Ca 0.19 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2wr1 h LEU 193 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wr1 h LEU 193 CO -0.21 1.55 0.00 -1.22 0.09 0.00 0.00 178.44 178.65 2wr1 n TYR 194 N -3.89 0.00 0.00 1.13 4.01 -0.14 -0.77 117.16 117.50 2wr1 n TYR 194 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2wr1 n TYR 194 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 2wr1 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr1 n GLN 195 N -0.55 0.00 -2.39 -0.72 -0.06 -0.23 -4.40 117.38 109.03 2wr1 n GLN 195 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.68 2wr1 n GLN 195 Cb 0.02 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.16 2wr1 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr1 s ASN 196 N 0.00 6.60 0.32 1.69 0.01 -1.26 -4.68 114.94 117.62 2wr1 s ASN 196 Ca 0.00 1.54 0.08 0.00 -0.71 0.00 0.00 52.86 53.78 2wr1 s ASN 196 Cb 0.00 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2wr1 s ASN 196 CO 0.00 -0.59 0.16 -0.69 -1.51 0.00 0.00 177.10 174.46 2wr1 s VAL 197 N -2.64 3.27 -0.94 1.60 1.01 -1.26 -4.74 120.40 116.70 2wr1 s VAL 197 Ca 0.58 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 2wr1 s VAL 197 Cb -0.10 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2wr1 s VAL 197 CO 0.32 -0.22 0.80 0.61 0.00 0.00 0.00 175.10 176.61 2wr1 n GLY 198 N -1.16 -0.17 3.20 4.51 0.00 -1.26 -5.01 105.19 105.30 2wr1 n GLY 198 Ca -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 2wr1 n GLY 198 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr1 n THR 199 N -3.65 0.00 -3.64 2.61 -2.24 -1.26 -5.07 114.28 101.03 2wr1 n THR 199 Ca -0.16 -1.31 -0.10 0.00 -2.27 0.00 0.00 64.05 60.20 2wr1 n THR 199 Cb 0.61 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 2wr1 n THR 199 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2wr1 s TYR 200 N -2.47 -0.21 -0.09 4.78 -0.85 -1.26 -4.36 117.35 112.88 2wr1 s TYR 200 Ca 0.54 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 57.02 2wr1 s TYR 200 Cb -0.03 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.66 2wr1 s TYR 200 CO 0.36 -0.79 -0.15 0.08 -1.52 0.00 0.00 175.55 173.52 2wr1 s VAL 201 N -3.82 1.44 -0.04 -3.49 1.01 0.06 -2.24 120.40 113.31 2wr1 s VAL 201 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2wr1 s VAL 201 Cb 0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2wr1 s VAL 201 CO -0.09 0.43 -0.19 -0.55 0.00 0.00 0.00 175.10 174.69 2wr1 s SER 202 N 0.83 2.40 -0.02 3.32 0.15 0.34 -0.75 113.70 119.97 2wr1 s SER 202 Ca -0.10 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.16 2wr1 s SER 202 Cb -0.15 -0.59 0.02 0.00 -1.71 0.00 0.00 66.02 63.58 2wr1 s SER 202 CO 0.01 0.19 -0.02 -0.69 1.20 0.00 0.00 173.24 173.94 2wr1 s VAL 203 N -0.11 0.26 -0.11 4.45 1.01 -0.23 -1.12 120.40 124.54 2wr1 s VAL 203 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2wr1 s VAL 203 Cb -0.11 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.01 2wr1 s VAL 203 CO 0.02 0.13 0.28 -0.83 0.00 0.00 0.00 175.10 174.70 2wr1 s GLY 204 N 0.61 -0.20 0.00 4.51 0.00 -0.76 -0.89 107.32 110.59 2wr1 s GLY 204 Ca -0.06 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2wr1 s GLY 204 CO -0.01 0.99 0.00 -1.30 0.00 0.00 0.00 173.10 172.78 2wr1 n THR 205 N 3.54 0.00 0.23 0.90 -2.24 0.15 -0.60 114.28 116.26 2wr1 n THR 205 Ca -0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 2wr1 n THR 205 Cb 0.56 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.33 2wr1 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr1 h SER 206 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.31 113.55 111.69 2wr1 h SER 206 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wr1 h SER 206 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wr1 h SER 206 CO 0.00 0.18 -0.27 0.35 -1.14 0.00 0.00 176.83 175.96 2wr1 n THR 207 N -4.17 0.00 -4.45 -2.27 -2.24 -1.26 -5.02 114.28 94.87 2wr1 n THR 207 Ca -0.02 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 2wr1 n THR 207 Cb 0.25 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 2wr1 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr1 s LEU 208 N -2.03 3.26 -0.23 3.22 2.96 -1.25 -5.08 118.68 119.54 2wr1 s LEU 208 Ca 0.00 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2wr1 s LEU 208 Cb 0.00 -1.83 0.12 0.00 0.50 0.00 0.00 46.19 44.98 2wr1 s LEU 208 CO 0.00 0.30 0.33 0.21 -1.32 0.00 0.00 176.35 175.87 2wr1 s ASN 209 N -1.30 0.58 -0.02 3.68 2.47 -1.26 -0.68 114.94 118.41 2wr1 s ASN 209 Ca 0.16 0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.56 2wr1 s ASN 209 Cb -0.11 0.89 0.01 0.00 -1.45 0.00 0.00 41.25 40.59 2wr1 s ASN 209 CO 0.07 -0.31 -0.02 -0.75 -3.72 0.00 0.00 177.10 172.37 2wr1 s LYS 210 N 2.48 0.34 -0.08 0.43 2.20 -0.07 -5.03 119.74 120.02 2wr1 s LYS 210 Ca 0.11 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2wr1 s LYS 210 Cb -0.15 -0.41 0.01 0.00 -1.51 0.00 0.00 37.83 35.77 2wr1 s LYS 210 CO -0.15 -0.02 -0.14 0.50 -0.36 0.00 0.00 175.35 175.18 2wr1 s ARG 211 N 0.46 1.90 0.02 4.03 3.52 -1.26 -1.07 118.95 126.55 2wr1 s ARG 211 Ca -0.05 -0.47 0.05 0.00 -0.13 0.00 0.00 55.73 55.13 2wr1 s ARG 211 Cb -0.08 -1.57 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 2wr1 s ARG 211 CO -0.01 0.02 -0.16 -1.12 -0.81 0.00 0.00 175.30 173.23 2wr1 s SER 212 N 0.71 1.84 0.09 -2.12 0.01 0.07 -5.00 113.70 109.31 2wr1 s SER 212 Ca -0.13 -0.40 0.10 0.00 1.31 0.00 0.00 55.95 56.82 2wr1 s SER 212 Cb -0.16 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2wr1 s SER 212 CO 0.03 0.11 -0.24 0.27 0.41 0.00 0.00 173.24 173.83 2wr1 s ILE 213 N -0.66 2.41 0.42 1.44 -4.36 -1.26 -0.76 121.20 118.43 2wr1 s ILE 213 Ca 0.04 -1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 2wr1 s ILE 213 Cb -0.07 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.52 2wr1 s ILE 213 CO 0.01 0.21 1.07 -2.16 0.24 0.00 0.00 174.94 174.31 2wr1 s PRO 214 N -1.74 4.04 -0.50 0.37 0.05 -1.26 -4.99 135.00 130.96 2wr1 s PRO 214 Ca 0.14 1.54 -0.13 0.00 0.05 0.00 0.00 61.00 62.60 2wr1 s PRO 214 Cb -0.10 -2.46 0.12 0.00 0.05 0.00 0.00 34.50 32.11 2wr1 s PRO 214 CO 0.05 -0.26 0.42 -1.21 0.05 0.00 0.00 177.00 176.06 2wr1 s GLU 215 N -2.63 2.75 -0.26 4.56 2.02 -1.26 -5.01 118.70 118.86 2wr1 s GLU 215 Ca 0.60 -1.71 -0.27 0.00 0.02 0.00 0.00 54.97 53.61 2wr1 s GLU 215 Cb -0.22 -4.11 0.01 0.00 0.10 0.00 0.00 34.13 29.90 2wr1 s GLU 215 CO 0.28 -1.24 0.96 0.42 0.02 0.00 0.00 175.26 175.70 2wr1 s ILE 216 N 1.49 4.70 -0.24 -1.63 1.01 -1.26 -3.95 121.20 121.31 2wr1 s ILE 216 Ca 0.04 1.76 -0.26 0.00 0.00 0.00 0.00 60.65 62.19 2wr1 s ILE 216 Cb -0.28 -4.26 0.12 0.00 0.01 0.00 0.00 42.46 38.05 2wr1 s ILE 216 CO 0.01 -0.22 1.00 0.00 0.00 0.00 0.00 174.94 175.74 2wr1 s ALA 217 N 3.17 -1.95 0.25 9.38 0.00 -0.82 -4.93 121.76 126.85 2wr1 s ALA 217 Ca 0.41 1.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.86 2wr1 s ALA 217 Cb -0.14 -1.20 -0.10 0.00 0.00 0.00 0.00 23.12 21.67 2wr1 s ALA 217 CO 0.09 -0.26 1.41 0.99 0.00 0.00 0.00 175.76 177.99 2wr1 s THR 218 N -0.15 2.74 0.07 0.00 2.01 -0.96 -4.26 115.64 115.09 2wr1 s THR 218 Ca 0.01 0.63 -0.05 0.00 0.31 0.00 0.00 61.69 62.59 2wr1 s THR 218 Cb -0.04 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2wr1 s THR 218 CO -0.04 0.10 0.09 -0.13 -0.69 0.00 0.00 174.62 173.96 2wr1 s ARG 219 N -0.42 0.72 0.40 4.92 0.52 -1.26 -5.10 118.95 118.73 2wr1 s ARG 219 Ca 0.58 -1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 2wr1 s ARG 219 Cb -0.41 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.23 2wr1 s ARG 219 CO 0.43 -0.19 1.44 -2.30 0.02 0.00 0.00 175.30 174.71 2wr1 n PRO 220 N 0.11 2.45 -2.11 3.54 -0.02 -1.26 -4.53 135.00 133.19 2wr1 n PRO 220 Ca -0.15 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2wr1 n PRO 220 Cb 0.61 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2wr1 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr1 s LYS 221 N -2.22 4.28 -0.15 -0.52 1.02 -1.26 -4.49 119.74 116.40 2wr1 s LYS 221 Ca 0.57 2.15 0.01 0.00 0.02 0.00 0.00 55.97 58.72 2wr1 s LYS 221 Cb -0.47 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2wr1 s LYS 221 CO 0.61 -0.51 -0.19 0.08 -0.92 0.00 0.00 175.35 174.42 2wr1 s VAL 222 N 1.38 1.89 -1.47 3.17 1.01 -0.08 -4.63 120.40 121.68 2wr1 s VAL 222 Ca 0.66 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2wr1 s VAL 222 Cb -0.38 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.35 2wr1 s VAL 222 CO 0.30 0.51 0.93 0.59 0.00 0.00 0.00 175.10 177.44 2wr1 n ASN 223 N 4.40 -5.34 0.00 3.32 3.02 -1.26 -1.32 115.26 118.07 2wr1 n ASN 223 Ca -0.20 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2wr1 n ASN 223 Cb 0.51 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 2wr1 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr1 n GLY 224 N -1.70 1.39 3.24 7.41 0.00 -1.26 -4.25 105.19 110.02 2wr1 n GLY 224 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wr1 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr1 s GLN 225 N -0.07 2.75 0.15 1.61 -1.52 -0.44 -4.95 119.66 117.20 2wr1 s GLN 225 Ca 0.00 -0.88 0.23 0.00 -1.95 0.00 0.00 55.36 52.76 2wr1 s GLN 225 Cb 0.00 -2.20 0.12 0.00 -0.22 0.00 0.00 33.01 30.71 2wr1 s GLN 225 CO 0.00 0.28 1.12 0.41 -0.25 0.00 0.00 175.29 176.85 2wr1 n GLY 226 N 3.23 -1.40 3.75 3.09 0.00 -1.26 -0.90 105.19 111.70 2wr1 n GLY 226 Ca -0.18 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 2wr1 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr1 s GLY 227 N -4.02 1.59 0.03 -0.02 0.00 -1.26 -4.25 107.32 99.39 2wr1 s GLY 227 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 2wr1 s GLY 227 CO 0.77 0.17 0.01 0.50 0.00 0.00 0.00 173.10 174.55 2wr1 s ARG 228 N -5.13 0.46 -0.15 2.90 1.81 -0.13 -4.69 118.95 114.02 2wr1 s ARG 228 Ca 0.64 -0.76 0.02 0.00 -1.72 0.00 0.00 55.73 53.90 2wr1 s ARG 228 Cb -0.16 0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.52 2wr1 s ARG 228 CO 0.55 -0.09 -0.22 -1.64 -0.68 0.00 0.00 175.30 173.22 2wr1 s MET 229 N -2.28 3.00 -0.25 3.54 -1.94 0.15 0.69 119.30 122.21 2wr1 s MET 229 Ca -0.08 -0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 52.98 2wr1 s MET 229 Cb -0.04 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2wr1 s MET 229 CO -0.04 -0.05 0.08 -2.00 -0.01 0.00 0.00 175.02 173.00 2wr1 s GLU 230 N 0.90 3.67 0.00 2.03 2.12 -0.40 -1.65 118.70 125.38 2wr1 s GLU 230 Ca -0.05 -0.47 -0.00 0.00 0.36 0.00 0.00 54.97 54.81 2wr1 s GLU 230 Cb -0.15 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2wr1 s GLU 230 CO -0.04 -0.19 0.10 -0.06 -0.54 0.00 0.00 175.26 174.53 2wr1 s PHE 231 N 1.62 3.33 0.21 5.30 0.08 -0.11 -0.62 117.98 127.79 2wr1 s PHE 231 Ca 0.06 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.38 2wr1 s PHE 231 Cb -0.15 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2wr1 s PHE 231 CO 0.04 0.57 -0.04 -1.12 -0.10 0.00 0.00 175.22 174.56 2wr1 s SER 232 N -1.85 1.91 0.17 1.36 0.01 0.16 -0.43 113.70 115.03 2wr1 s SER 232 Ca 0.24 -1.14 -0.00 0.00 1.31 0.00 0.00 55.95 56.36 2wr1 s SER 232 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2wr1 s SER 232 CO 0.16 -0.43 0.07 -1.66 0.41 0.00 0.00 173.24 171.79 2wr1 s TRP 233 N -3.34 1.09 0.10 2.43 1.48 -1.26 -1.45 118.94 117.99 2wr1 s TRP 233 Ca 0.25 -1.22 -0.15 0.00 -1.06 0.00 0.00 56.10 53.92 2wr1 s TRP 233 Cb 0.04 -0.60 0.03 0.00 -1.16 0.00 0.00 33.47 31.78 2wr1 s TRP 233 CO 0.06 -0.46 0.35 -0.08 -4.06 0.00 0.00 176.95 172.76 2wr1 s THR 234 N -3.96 0.08 -0.29 0.66 -1.32 -0.22 -5.02 115.64 105.59 2wr1 s THR 234 Ca 0.29 -0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 59.94 2wr1 s THR 234 Cb 0.07 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2wr1 s THR 234 CO 0.06 -0.38 0.33 -0.76 -2.21 0.00 0.00 174.62 171.66 2wr1 s LEU 235 N -2.67 4.11 -0.23 9.08 1.43 -1.26 -1.30 118.68 127.84 2wr1 s LEU 235 Ca 0.02 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 2wr1 s LEU 235 Cb 0.02 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2wr1 s LEU 235 CO -0.10 -0.18 0.55 -0.22 0.23 0.00 0.00 176.35 176.63 2wr1 s LEU 236 N 1.99 4.09 0.66 1.79 2.96 0.17 -4.87 118.68 125.48 2wr1 s LEU 236 Ca 0.13 0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 54.54 2wr1 s LEU 236 Cb -0.16 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.78 2wr1 s LEU 236 CO 0.11 -0.27 1.10 -1.61 -1.32 0.00 0.00 176.35 174.35 2wr1 s GLU 237 N 2.09 2.82 0.13 1.98 0.41 -1.26 -1.13 118.70 123.74 2wr1 s GLU 237 Ca 0.24 1.33 -0.35 0.00 -0.41 0.00 0.00 54.97 55.78 2wr1 s GLU 237 Cb -0.16 -1.96 -0.16 0.00 -1.78 0.00 0.00 34.13 30.08 2wr1 s GLU 237 CO 0.09 -1.23 1.36 0.25 -0.49 0.00 0.00 175.26 175.24 2wr1 n THR 238 N -2.50 0.27 -0.88 3.63 -2.24 -1.26 -1.01 114.28 110.28 2wr1 n THR 238 Ca 0.10 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2wr1 n THR 238 Cb 0.52 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2wr1 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr1 n TRP 239 N 2.44 0.00 -2.15 4.78 7.02 0.13 -4.99 117.44 124.67 2wr1 n TRP 239 Ca 0.17 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.37 2wr1 n TRP 239 Cb 0.23 -0.86 0.04 0.00 -2.42 0.00 0.00 31.31 28.31 2wr1 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr1 s ASP 240 N -2.25 5.41 -0.02 -0.99 2.15 -0.18 -4.74 116.67 116.05 2wr1 s ASP 240 Ca 0.00 0.87 0.08 0.00 0.43 0.00 0.00 52.55 53.92 2wr1 s ASP 240 Cb 0.00 -1.72 -0.02 0.00 -0.30 0.00 0.00 42.92 40.88 2wr1 s ASP 240 CO 0.00 -1.27 -0.25 -0.69 -0.17 0.00 0.00 175.17 172.79 2wr1 s VAL 241 N -3.19 2.00 -0.18 1.11 1.01 -1.26 -0.70 120.40 119.19 2wr1 s VAL 241 Ca 0.57 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2wr1 s VAL 241 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2wr1 s VAL 241 CO 0.48 0.57 -0.00 -0.51 0.00 0.00 0.00 175.10 175.63 2wr1 s ILE 242 N -0.59 4.10 -0.27 2.22 2.07 -0.45 -4.20 121.20 124.09 2wr1 s ILE 242 Ca 0.10 -0.28 -0.09 0.00 -1.41 0.00 0.00 60.65 58.97 2wr1 s ILE 242 Cb -0.10 -2.83 -0.03 0.00 0.13 0.00 0.00 42.46 39.63 2wr1 s ILE 242 CO -0.01 0.46 0.11 0.20 -1.91 0.00 0.00 174.94 173.79 2wr1 s ASN 243 N 0.61 5.41 -0.15 4.50 0.01 0.23 -1.28 114.94 124.27 2wr1 s ASN 243 Ca -0.01 -0.20 -0.08 0.00 -0.71 0.00 0.00 52.86 51.86 2wr1 s ASN 243 Cb -0.14 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2wr1 s ASN 243 CO 0.02 -0.06 0.13 -0.36 -1.51 0.00 0.00 177.10 175.32 2wr1 s PHE 244 N 1.65 3.51 -0.05 2.20 0.08 0.17 -1.83 117.98 123.71 2wr1 s PHE 244 Ca 0.06 0.43 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 2wr1 s PHE 244 Cb -0.16 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2wr1 s PHE 244 CO 0.06 0.55 0.12 -2.00 -0.10 0.00 0.00 175.22 173.85 2wr1 s GLU 245 N -0.48 0.11 -0.07 0.44 2.12 -0.28 -2.18 118.70 118.36 2wr1 s GLU 245 Ca 0.12 0.23 -0.28 0.00 0.36 0.00 0.00 54.97 55.40 2wr1 s GLU 245 Cb -0.12 -0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.30 2wr1 s GLU 245 CO 0.02 -0.07 0.62 0.45 -0.54 0.00 0.00 175.26 175.74 2wr1 s SER 246 N 0.49 -0.59 -0.00 -1.70 0.15 0.19 -0.50 113.70 111.73 2wr1 s SER 246 Ca -0.04 0.70 0.11 0.00 0.70 0.00 0.00 55.95 57.42 2wr1 s SER 246 Cb -0.05 0.60 0.32 0.00 -1.71 0.00 0.00 66.02 65.18 2wr1 s SER 246 CO -0.02 -0.54 1.27 0.35 1.20 0.00 0.00 173.24 175.50 2wr1 n THR 247 N 1.18 1.02 0.00 6.45 -2.24 -0.95 -0.23 114.28 119.51 2wr1 n THR 247 Ca -0.19 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2wr1 n THR 247 Cb 0.57 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2wr1 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 248 N 0.54 4.06 1.61 3.38 0.00 -1.25 -4.78 105.19 108.76 2wr1 n GLY 248 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2wr1 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr1 n ASN 249 N 0.00 -0.45 -4.70 1.61 3.02 -1.26 -4.20 115.26 109.28 2wr1 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr1 n ASN 249 Cb 0.00 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2wr1 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr1 s LEU 250 N 0.00 4.34 -0.50 3.41 2.96 -1.26 -1.55 118.68 126.08 2wr1 s LEU 250 Ca 0.00 1.99 -0.14 0.00 -0.22 0.00 0.00 54.13 55.76 2wr1 s LEU 250 Cb 0.00 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 43.22 2wr1 s LEU 250 CO 0.00 -0.53 0.42 -0.63 -1.32 0.00 0.00 176.35 174.29 2wr1 s ILE 251 N 1.48 4.96 0.19 6.68 -1.09 0.36 -3.39 121.20 130.39 2wr1 s ILE 251 Ca 0.59 -1.40 -0.18 0.00 -2.23 0.00 0.00 60.65 57.42 2wr1 s ILE 251 Cb -0.29 -4.11 -0.08 0.00 -1.58 0.00 0.00 42.46 36.41 2wr1 s ILE 251 CO 0.27 -0.73 0.66 0.00 -1.23 0.00 0.00 174.94 173.91 2wr1 s ALA 252 N 1.56 3.48 0.38 9.38 0.00 -0.82 -1.15 121.76 134.59 2wr1 s ALA 252 Ca 0.04 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 2wr1 s ALA 252 Cb -0.27 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2wr1 s ALA 252 CO 0.03 0.37 1.21 -1.25 0.00 0.00 0.00 175.76 176.12 2wr1 s PRO 253 N -1.87 4.13 -0.01 0.00 0.04 -1.23 -0.38 135.00 135.67 2wr1 s PRO 253 Ca 0.40 1.94 0.18 0.00 0.04 0.00 0.00 61.00 63.56 2wr1 s PRO 253 Cb -0.17 -2.79 -0.19 0.00 0.04 0.00 0.00 34.50 31.39 2wr1 s PRO 253 CO 0.20 -0.28 0.60 -1.91 0.04 0.00 0.00 177.00 175.65 2wr1 n GLU 254 N 0.29 0.64 -4.36 4.56 2.13 0.06 -4.67 120.64 119.29 2wr1 n GLU 254 Ca 0.03 0.11 -0.22 0.00 0.66 0.00 0.00 57.16 57.74 2wr1 n GLU 254 Cb 0.45 -1.70 -0.11 0.00 0.27 0.00 0.00 31.44 30.36 2wr1 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr1 s TYR 255 N -2.92 1.90 0.34 4.31 2.02 -1.23 -1.25 117.35 120.52 2wr1 s TYR 255 Ca -0.05 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 2wr1 s TYR 255 Cb 0.09 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 2wr1 s TYR 255 CO 0.83 0.41 0.10 0.20 -1.57 0.00 0.00 175.55 175.52 2wr1 s GLY 256 N -2.96 2.18 -0.27 0.71 0.00 0.10 -4.72 107.32 102.37 2wr1 s GLY 256 Ca 0.20 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.22 2wr1 s GLY 256 CO 0.08 -1.75 -0.03 -1.36 0.00 0.00 0.00 173.10 170.04 2wr1 s PHE 257 N -3.40 2.73 0.20 1.90 0.08 -0.04 0.07 117.98 119.52 2wr1 s PHE 257 Ca 0.33 -2.08 -0.33 0.00 0.12 0.00 0.00 56.93 54.97 2wr1 s PHE 257 Cb 0.06 -1.90 -0.13 0.00 -0.57 0.00 0.00 43.02 40.48 2wr1 s PHE 257 CO 0.15 -0.84 1.67 1.63 -0.10 0.00 0.00 175.22 177.73 2wr1 n LYS 258 N 4.57 2.56 -4.00 0.44 5.02 -0.01 -1.17 118.16 125.57 2wr1 n LYS 258 Ca -0.08 0.92 -0.17 0.00 -2.02 0.00 0.00 58.31 56.96 2wr1 n LYS 258 Cb 0.43 -2.74 -0.16 0.00 -0.02 0.00 0.00 35.03 32.54 2wr1 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr1 s ILE 259 N 1.01 0.26 -0.06 -0.18 2.07 -0.44 -1.27 121.20 122.58 2wr1 s ILE 259 Ca 0.76 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 60.04 2wr1 s ILE 259 Cb -0.56 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 2wr1 s ILE 259 CO 0.35 0.14 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.85 2wr1 s SER 260 N 0.71 2.87 0.09 4.50 0.01 -0.10 -4.06 113.70 117.71 2wr1 s SER 260 Ca -0.07 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 56.79 2wr1 s SER 260 Cb -0.11 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 2wr1 s SER 260 CO -0.01 0.21 -0.22 -0.54 0.41 0.00 0.00 173.24 173.09 2wr1 s LYS 261 N -0.05 1.76 -0.43 12.44 1.02 -1.26 0.80 119.74 134.02 2wr1 s LYS 261 Ca -0.06 -1.16 0.09 0.00 0.02 0.00 0.00 55.97 54.86 2wr1 s LYS 261 Cb -0.14 -2.05 0.29 0.00 -0.52 0.00 0.00 37.83 35.42 2wr1 s LYS 261 CO 0.04 0.49 0.67 -2.13 -0.92 0.00 0.00 175.35 173.50 2wr1 n ARG 262 N 1.23 1.27 0.00 1.68 0.63 -1.26 -4.83 116.66 115.38 2wr1 n ARG 262 Ca -0.17 -3.62 0.00 0.00 -0.92 0.00 0.00 57.85 53.15 2wr1 n ARG 262 Cb 0.52 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.82 2wr1 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wr1 n GLY 263 N 0.77 1.03 3.56 5.14 0.00 -1.26 -4.99 105.19 109.45 2wr1 n GLY 263 Ca 0.24 -2.09 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 2wr1 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 264 N 0.00 3.29 0.00 1.61 1.04 -1.26 -4.54 113.70 113.84 2wr1 s SER 264 Ca 0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2wr1 s SER 264 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2wr1 s SER 264 CO 0.00 -0.57 0.00 -0.24 0.98 0.00 0.00 173.24 173.41 2wr1 n SER 265 N -0.91 0.61 -3.34 7.02 2.88 -1.26 -4.88 113.62 113.73 2wr1 n SER 265 Ca -0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.46 2wr1 n SER 265 Cb 0.67 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.15 2wr1 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr1 s GLY 266 N 0.00 0.15 -0.13 0.46 0.00 -1.26 -4.76 107.32 101.77 2wr1 s GLY 266 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.20 2wr1 s GLY 266 CO 0.00 2.87 0.31 -0.42 0.00 0.00 0.00 173.10 175.86 2wr1 s ILE 267 N -2.06 5.28 -0.14 0.90 1.01 -1.26 -1.95 121.20 122.98 2wr1 s ILE 267 Ca 0.23 0.59 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 2wr1 s ILE 267 Cb -0.03 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2wr1 s ILE 267 CO 0.06 0.42 -0.02 -0.32 0.00 0.00 0.00 174.94 175.08 2wr1 s MET 268 N 0.18 3.51 -0.32 2.79 -2.45 0.24 -4.80 119.30 118.44 2wr1 s MET 268 Ca 0.18 -0.48 -0.10 0.00 -1.25 0.00 0.00 55.69 54.04 2wr1 s MET 268 Cb -0.14 -2.90 -0.00 0.00 1.25 0.00 0.00 34.83 33.04 2wr1 s MET 268 CO 0.06 0.36 0.17 0.15 1.05 0.00 0.00 175.02 176.81 2wr1 s LYS 269 N 0.04 3.25 -0.00 4.11 1.02 -1.26 -0.65 119.74 126.25 2wr1 s LYS 269 Ca 0.01 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 2wr1 s LYS 269 Cb -0.13 -3.61 0.10 0.00 -0.52 0.00 0.00 37.83 33.67 2wr1 s LYS 269 CO 0.02 -0.47 0.88 -0.08 -0.92 0.00 0.00 175.35 174.78 2wr1 s THR 270 N 1.61 0.00 -0.78 2.17 -1.32 -0.31 -4.82 115.64 112.18 2wr1 s THR 270 Ca 0.04 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.77 2wr1 s THR 270 Cb -0.17 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.87 2wr1 s THR 270 CO 0.06 0.00 1.41 -0.62 -2.21 0.00 0.00 174.62 173.26 2wr1 n GLU 271 N -0.22 0.18 -1.77 7.08 -0.58 -1.26 -3.85 120.64 120.22 2wr1 n GLU 271 Ca -0.09 0.06 -0.34 0.00 -0.42 0.00 0.00 57.16 56.36 2wr1 n GLU 271 Cb 0.62 -1.62 0.05 0.00 -0.57 0.00 0.00 31.44 29.92 2wr1 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr1 s LYS 272 N -3.10 2.70 0.28 3.49 1.02 -1.26 -5.06 119.74 117.82 2wr1 s LYS 272 Ca 0.08 1.61 0.09 0.00 0.02 0.00 0.00 55.97 57.78 2wr1 s LYS 272 Cb 0.15 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 2wr1 s LYS 272 CO 0.70 -1.37 -0.13 0.95 -0.92 0.00 0.00 175.35 174.58 2wr1 s THR 273 N -2.02 2.10 0.31 2.17 -4.23 -1.26 -5.01 115.64 107.70 2wr1 s THR 273 Ca 0.72 -2.26 -0.29 0.00 -1.18 0.00 0.00 61.69 58.67 2wr1 s THR 273 Cb -0.25 -2.36 -0.11 0.00 1.34 0.00 0.00 72.50 71.11 2wr1 s THR 273 CO 0.39 -0.37 1.49 -0.22 -0.54 0.00 0.00 174.62 175.38 2wr1 s LEU 274 N -3.48 4.36 -0.13 4.79 2.96 -1.26 -4.35 118.68 121.56 2wr1 s LEU 274 Ca 0.29 2.89 0.15 0.00 -0.22 0.00 0.00 54.13 57.24 2wr1 s LEU 274 Cb -0.01 -3.64 0.29 0.00 0.50 0.00 0.00 46.19 43.33 2wr1 s LEU 274 CO 0.13 -0.81 1.15 1.21 -1.32 0.00 0.00 176.35 176.71 2wr1 n GLU 275 N 1.52 1.14 -3.20 1.98 0.00 -0.10 -4.99 120.64 116.98 2wr1 n GLU 275 Ca 0.05 -2.52 -0.15 0.00 0.00 0.00 0.00 57.16 54.54 2wr1 n GLU 275 Cb 0.39 -1.34 0.07 0.00 0.00 0.00 0.00 31.44 30.56 2wr1 n GLU 275 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2wr1 n ASN 276 N -1.12 -3.82 -4.12 4.31 5.15 -1.26 -5.02 115.26 109.39 2wr1 n ASN 276 Ca 0.14 -0.59 -0.11 0.00 -0.60 0.00 0.00 54.58 53.42 2wr1 n ASN 276 Cb 0.68 -4.72 -0.09 0.00 -0.53 0.00 0.00 39.78 35.13 2wr1 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr1 s GLU 278 N -4.09 1.31 0.11 0.00 2.56 -1.26 -0.61 118.70 116.71 2wr1 s GLU 278 Ca 0.34 -1.17 -0.25 0.00 0.00 0.00 0.00 54.97 53.90 2wr1 s GLU 278 Cb 0.05 -1.60 0.08 0.00 2.00 0.00 0.00 34.13 34.66 2wr1 s GLU 278 CO 0.11 0.38 0.69 -0.08 -0.56 0.00 0.00 175.26 175.81 2wr1 s THR 279 N -1.03 0.00 -1.09 -1.70 -1.32 -0.34 -4.88 115.64 105.29 2wr1 s THR 279 Ca 0.09 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.77 2wr1 s THR 279 Cb -0.10 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.70 2wr1 s THR 279 CO 0.04 0.00 0.89 0.29 -2.21 0.00 0.00 174.62 173.63 2wr1 n LYS 280 N -0.32 0.40 -3.42 7.08 4.01 -1.26 -1.19 118.16 123.46 2wr1 n LYS 280 Ca -0.15 -0.12 -0.17 0.00 -0.51 0.00 0.00 58.31 57.36 2wr1 n LYS 280 Cb 0.64 -1.46 -0.10 0.00 -0.51 0.00 0.00 35.03 33.60 2wr1 n LYS 280 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wr1 s GLN 282 N 2.36 4.03 0.28 0.00 2.00 0.51 -0.46 119.66 128.38 2wr1 s GLN 282 Ca 0.09 0.37 0.10 0.00 -2.00 0.00 0.00 55.36 53.92 2wr1 s GLN 282 Cb -0.14 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.33 2wr1 s GLN 282 CO -0.28 0.54 -0.15 0.95 -0.50 0.00 0.00 175.29 175.85 2wr1 s THR 283 N -0.57 2.20 -1.06 -0.34 -4.23 -0.75 -1.09 115.64 109.81 2wr1 s THR 283 Ca 0.23 -2.29 0.16 0.00 -1.18 0.00 0.00 61.69 58.61 2wr1 s THR 283 Cb -0.16 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.46 2wr1 s THR 283 CO 0.11 -0.37 1.50 -2.65 -0.54 0.00 0.00 174.62 172.68 2wr1 n PRO 284 N -0.62 0.03 0.00 3.99 -0.02 -1.26 -1.69 135.00 135.43 2wr1 n PRO 284 Ca -0.06 0.22 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 2wr1 n PRO 284 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 2wr1 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr1 n LEU 285 N -1.47 0.83 0.00 2.45 4.77 -1.26 -4.82 117.00 117.50 2wr1 n LEU 285 Ca 0.04 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2wr1 n LEU 285 Cb 0.18 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2wr1 n LEU 285 CO 0.14 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wr1 n GLY 286 N 1.49 3.89 3.88 -0.72 0.00 -0.68 -4.10 105.19 108.94 2wr1 n GLY 286 Ca 0.04 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 2wr1 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s ALA 287 N -2.04 3.50 -0.05 4.61 0.00 -0.62 -1.82 121.76 125.35 2wr1 s ALA 287 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2wr1 s ALA 287 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2wr1 s ALA 287 CO 0.00 0.32 -0.04 0.42 0.00 0.00 0.00 175.76 176.46 2wr1 s ILE 288 N -2.01 3.90 -0.33 0.00 1.01 0.39 -1.01 121.20 123.16 2wr1 s ILE 288 Ca 0.48 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 2wr1 s ILE 288 Cb -0.11 -2.65 0.12 0.00 0.01 0.00 0.00 42.46 39.83 2wr1 s ILE 288 CO 0.24 0.53 0.16 0.21 0.00 0.00 0.00 174.94 176.08 2wr1 s ASN 289 N -1.04 3.47 0.01 3.58 2.47 -1.26 -4.01 114.94 118.15 2wr1 s ASN 289 Ca 0.14 -1.75 -0.15 0.00 0.42 0.00 0.00 52.86 51.53 2wr1 s ASN 289 Cb -0.11 -0.53 0.02 0.00 -1.45 0.00 0.00 41.25 39.18 2wr1 s ASN 289 CO 0.04 -0.38 0.31 0.28 -3.72 0.00 0.00 177.10 173.63 2wr1 s THR 290 N 1.53 0.07 -1.01 -5.21 -1.32 -1.26 -5.00 115.64 103.44 2wr1 s THR 290 Ca 0.13 -0.55 0.24 0.00 -1.21 0.00 0.00 61.69 60.30 2wr1 s THR 290 Cb -0.19 -0.74 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 2wr1 s THR 290 CO -0.20 -0.30 1.34 0.35 -2.21 0.00 0.00 174.62 173.60 2wr1 n THR 291 N 1.01 0.00 -1.78 5.08 -2.24 -1.26 -4.99 114.28 110.10 2wr1 n THR 291 Ca -0.20 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 2wr1 n THR 291 Cb 0.57 0.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.23 2wr1 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wr1 s LEU 292 N -2.99 3.55 0.29 3.22 1.43 -1.26 -4.90 118.68 118.01 2wr1 s LEU 292 Ca 0.11 2.46 0.24 0.00 -1.03 0.00 0.00 54.13 55.91 2wr1 s LEU 292 Cb 0.17 -4.60 0.40 0.00 0.03 0.00 0.00 46.19 42.19 2wr1 s LEU 292 CO 0.72 -1.90 1.51 1.55 0.23 0.00 0.00 176.35 178.46 2wr1 h PRO 293 N 0.47 0.00 -5.02 1.29 0.13 -1.85 -3.42 132.00 123.60 2wr1 h PRO 293 Ca -0.50 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.29 2wr1 h PRO 293 Cb 1.31 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 2wr1 h PRO 293 CO 0.53 0.00 -0.75 -0.06 -0.23 0.00 0.00 178.00 177.49 2wr1 s PHE 294 N -3.20 1.05 0.14 1.56 0.08 -1.23 -1.33 117.98 115.04 2wr1 s PHE 294 Ca 0.06 -0.57 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 2wr1 s PHE 294 Cb 0.09 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.95 2wr1 s PHE 294 CO 0.68 0.01 0.25 -3.38 -0.10 0.00 0.00 175.22 172.68 2wr1 s HIS 295 N -1.91 0.31 -0.04 0.36 -3.43 -0.14 -0.26 115.29 110.17 2wr1 s HIS 295 Ca 0.01 -0.70 0.08 0.00 -0.80 0.00 0.00 55.06 53.65 2wr1 s HIS 295 Cb -0.06 -0.06 0.14 0.00 -1.43 0.00 0.00 32.58 31.17 2wr1 s HIS 295 CO 0.01 -0.66 1.07 0.27 -2.00 0.00 0.00 174.74 173.43 2wr1 n ASN 296 N -0.16 0.81 0.05 7.38 6.94 -1.14 -0.78 115.26 128.36 2wr1 n ASN 296 Ca -0.10 -2.38 -0.13 0.00 -0.02 0.00 0.00 54.58 51.95 2wr1 n ASN 296 Cb 0.63 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.67 2wr1 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr1 h ILE 297 N 4.87 1.11 -1.51 1.53 2.04 -1.90 -3.48 117.51 120.16 2wr1 h ILE 297 Ca -0.03 -0.88 0.09 0.00 1.00 0.00 0.00 64.86 65.05 2wr1 h ILE 297 Cb 1.33 1.65 -0.27 0.00 -0.74 0.00 0.00 36.82 38.79 2wr1 h ILE 297 CO 0.01 0.21 0.49 -2.28 0.00 0.00 0.00 178.15 176.58 2wr1 s HIS 298 N -4.49 -0.44 -0.05 1.37 5.04 -1.26 -5.04 115.29 110.42 2wr1 s HIS 298 Ca -0.15 1.02 0.21 0.00 -1.54 0.00 0.00 55.06 54.60 2wr1 s HIS 298 Cb 0.02 0.37 0.58 0.00 0.04 0.00 0.00 32.58 33.59 2wr1 s HIS 298 CO 0.62 -0.21 1.68 -1.00 -2.34 0.00 0.00 174.74 173.48 2wr1 h PRO 299 N 4.50 0.00 -4.70 2.88 0.13 -1.99 -3.39 132.00 129.43 2wr1 h PRO 299 Ca -0.28 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.12 2wr1 h PRO 299 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2wr1 h PRO 299 CO 0.14 0.27 1.77 1.28 -0.23 0.00 0.00 178.00 181.22 2wr1 n LEU 300 N -3.28 5.53 -4.97 1.56 4.77 -1.26 -4.82 117.00 114.53 2wr1 n LEU 300 Ca 0.01 -4.36 -0.21 0.00 -0.03 0.00 0.00 56.01 51.42 2wr1 n LEU 300 Cb 0.54 -1.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 2wr1 n LEU 300 CO 0.35 0.75 -0.03 0.42 -1.33 0.00 0.00 177.39 177.55 2wr1 s THR 301 N 1.99 5.13 -0.06 -5.08 -4.23 -1.26 -4.34 115.64 107.79 2wr1 s THR 301 Ca 0.45 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2wr1 s THR 301 Cb 0.02 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.07 2wr1 s THR 301 CO 0.01 -0.31 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.10 2wr1 s ILE 302 N -2.00 0.64 -3.45 2.99 1.01 -0.25 -1.05 121.20 119.09 2wr1 s ILE 302 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2wr1 s ILE 302 Cb -0.09 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2wr1 s ILE 302 CO 0.29 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2wr1 n GLY 303 N 4.27 0.64 3.21 6.18 0.00 -0.42 -0.36 105.19 118.70 2wr1 n GLY 303 Ca -0.21 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 2wr1 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 304 N -1.38 2.57 0.24 1.61 2.02 -0.03 -0.70 118.70 123.03 2wr1 s GLU 304 Ca 0.00 -1.88 0.11 0.00 0.02 0.00 0.00 54.97 53.22 2wr1 s GLU 304 Cb 0.00 -3.95 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 2wr1 s GLU 304 CO 0.00 -1.20 -0.15 0.00 0.02 0.00 0.00 175.26 173.93 2wr1 s PRO 306 N -3.27 -1.13 0.00 0.00 0.02 -1.26 -4.81 135.00 124.55 2wr1 s PRO 306 Ca 0.28 0.64 -0.30 0.00 0.02 0.00 0.00 61.00 61.63 2wr1 s PRO 306 Cb -0.07 -1.54 -0.04 0.00 0.02 0.00 0.00 34.50 32.87 2wr1 s PRO 306 CO 0.15 -3.81 1.08 0.15 -0.33 0.00 0.00 177.00 174.24 2wr1 s LYS 307 N -4.63 4.48 0.11 5.54 -0.14 -0.44 -4.69 119.74 119.97 2wr1 s LYS 307 Ca 0.68 1.56 -0.30 0.00 -1.36 0.00 0.00 55.97 56.55 2wr1 s LYS 307 Cb -0.22 -3.44 -0.06 0.00 -1.68 0.00 0.00 37.83 32.42 2wr1 s LYS 307 CO 0.63 -0.20 1.17 -0.47 -0.76 0.00 0.00 175.35 175.72 2wr1 s TYR 308 N 1.29 3.48 0.10 3.18 5.04 -1.26 -0.97 117.35 128.22 2wr1 s TYR 308 Ca 0.54 1.41 0.03 0.00 -2.44 0.00 0.00 57.07 56.61 2wr1 s TYR 308 Cb -0.24 -3.38 -0.04 0.00 0.35 0.00 0.00 41.96 38.66 2wr1 s TYR 308 CO 0.26 -1.06 -0.09 0.14 -1.34 0.00 0.00 175.55 173.47 2wr1 s VAL 309 N 0.54 0.86 -1.17 3.14 -7.23 0.04 -4.73 120.40 111.85 2wr1 s VAL 309 Ca 0.55 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2wr1 s VAL 309 Cb -0.30 -1.47 0.23 0.00 0.56 0.00 0.00 36.38 35.40 2wr1 s VAL 309 CO 0.32 -0.67 1.96 0.29 -0.31 0.00 0.00 175.10 176.69 2wr1 n LYS 310 N 0.33 4.78 -4.40 4.82 5.02 -1.26 -4.43 118.16 123.01 2wr1 n LYS 310 Ca -0.14 -4.11 -0.26 0.00 -2.02 0.00 0.00 58.31 51.78 2wr1 n LYS 310 Cb 0.59 -2.59 -0.13 0.00 -0.02 0.00 0.00 35.03 32.88 2wr1 n LYS 310 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wr1 s SER 311 N -0.58 2.81 0.11 4.39 0.01 -1.26 -5.03 113.70 114.15 2wr1 s SER 311 Ca 0.43 -0.68 0.23 0.00 1.31 0.00 0.00 55.95 57.23 2wr1 s SER 311 Cb 0.15 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 2wr1 s SER 311 CO -0.06 0.12 0.92 0.47 0.41 0.00 0.00 173.24 175.11 2wr1 n ASP 312 N 1.17 0.60 -3.64 2.44 8.00 -1.26 -4.80 116.55 119.06 2wr1 n ASP 312 Ca -0.19 0.13 -0.06 0.00 0.71 0.00 0.00 54.79 55.39 2wr1 n ASP 312 Cb 0.53 0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 42.42 2wr1 n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wr1 s ARG 313 N -3.36 0.58 -0.43 -1.24 3.52 -1.26 -5.08 118.95 111.68 2wr1 s ARG 313 Ca -0.01 0.99 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2wr1 s ARG 313 Cb 0.12 0.13 0.16 0.00 -1.56 0.00 0.00 34.95 33.79 2wr1 s ARG 313 CO 0.82 -0.12 0.31 -0.51 -0.81 0.00 0.00 175.30 174.99 2wr1 s LEU 314 N 1.44 1.85 -0.30 -0.88 1.43 -1.26 -5.02 118.68 115.94 2wr1 s LEU 314 Ca -0.09 -2.88 -0.09 0.00 -1.03 0.00 0.00 54.13 50.05 2wr1 s LEU 314 Cb -0.04 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.53 2wr1 s LEU 314 CO -0.17 -0.21 0.13 -0.69 0.23 0.00 0.00 176.35 175.64 2wr1 s VAL 315 N 0.18 4.41 -0.12 -1.59 1.01 -1.26 -1.03 120.40 122.01 2wr1 s VAL 315 Ca 0.26 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 2wr1 s VAL 315 Cb -0.08 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2wr1 s VAL 315 CO -0.12 0.08 0.76 -0.76 0.00 0.00 0.00 175.10 175.07 2wr1 s LEU 316 N 1.58 4.24 0.34 3.92 1.43 -0.12 -4.68 118.68 125.40 2wr1 s LEU 316 Ca 0.04 1.17 -0.29 0.00 -1.03 0.00 0.00 54.13 54.03 2wr1 s LEU 316 Cb -0.17 -3.15 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 2wr1 s LEU 316 CO 0.05 -0.25 1.44 0.00 0.23 0.00 0.00 176.35 177.81 2wr1 s ALA 317 N 1.47 3.57 -0.04 4.21 0.00 -1.26 -1.30 121.76 128.42 2wr1 s ALA 317 Ca 0.38 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.79 2wr1 s ALA 317 Cb -0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2wr1 s ALA 317 CO 0.16 -0.89 -0.04 0.25 0.00 0.00 0.00 175.76 175.24 2wr1 n THR 318 N 0.94 0.21 -0.72 0.00 -2.24 -0.65 -4.87 114.28 106.95 2wr1 n THR 318 Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2wr1 n THR 318 Cb 0.40 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2wr1 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 319 N 3.15 -1.14 3.98 3.38 0.00 -0.26 -4.93 105.19 109.36 2wr1 n GLY 319 Ca -0.07 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 2wr1 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr1 s LEU 320 N 0.00 3.25 0.24 0.99 2.34 -1.26 -4.72 118.68 119.52 2wr1 s LEU 320 Ca 0.00 -0.77 -0.31 0.00 0.06 0.00 0.00 54.13 53.10 2wr1 s LEU 320 Cb 0.00 -1.93 -0.13 0.00 -0.56 0.00 0.00 46.19 43.57 2wr1 s LEU 320 CO 0.00 -1.02 1.43 -1.14 -1.06 0.00 0.00 176.35 174.56 2wr1 n ARG 321 N -1.93 2.10 -3.06 1.48 0.63 -1.26 -1.26 116.66 113.36 2wr1 n ARG 321 Ca 0.09 0.75 -0.43 0.00 -0.92 0.00 0.00 57.85 57.33 2wr1 n ARG 321 Cb 0.61 -2.42 -0.06 0.00 0.45 0.00 0.00 32.46 31.04 2wr1 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr1 s ASN 322 N 0.33 6.28 -0.80 6.15 2.47 0.32 -4.68 114.94 125.02 2wr1 s ASN 322 Ca 0.68 -0.60 0.02 0.00 0.42 0.00 0.00 52.86 53.38 2wr1 s ASN 322 Cb -0.64 -2.34 0.24 0.00 -1.45 0.00 0.00 41.25 37.07 2wr1 s ASN 322 CO 0.49 -0.95 0.85 0.52 -3.72 0.00 0.00 177.10 174.29 2wr1 n VAL 323 N 5.84 2.97 -2.05 -5.21 0.31 -1.26 -4.83 118.33 114.09 2wr1 n VAL 323 Ca -0.03 -5.27 -0.41 0.00 -0.01 0.00 0.00 64.34 58.62 2wr1 n VAL 323 Cb 0.47 -2.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 2wr1 n VAL 323 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2wr1 s PRO 324 N -2.08 4.30 -0.46 5.55 0.02 -1.26 -0.71 135.00 140.36 2wr1 s PRO 324 Ca 0.33 2.29 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 2wr1 s PRO 324 Cb 0.04 -3.07 0.10 0.00 0.02 0.00 0.00 34.50 31.59 2wr1 s PRO 324 CO -0.05 -0.30 0.33 -1.14 -0.33 0.00 0.00 177.00 175.51 2wr1 s GLN 325 N -1.42 2.61 0.00 5.54 0.74 -1.26 -4.84 119.66 121.03 2wr1 s GLN 325 Ca 0.52 -1.60 0.00 0.00 0.05 0.00 0.00 55.36 54.33 2wr1 s GLN 325 Cb -0.41 -3.92 0.00 0.00 1.10 0.00 0.00 33.01 29.78 2wr1 s GLN 325 CO 0.51 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.57 2wr1 n GLY 330 N 4.97 4.23 0.28 2.59 0.00 -1.26 -5.09 105.19 110.91 2wr1 n GLY 330 Ca -0.10 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 44.67 2wr1 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr1 h LEU 331 N 0.00 0.00 -1.27 0.99 3.38 -1.93 -2.95 115.31 113.54 2wr1 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr1 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wr1 h LEU 331 CO 0.00 0.05 -0.15 0.49 0.09 0.00 0.00 178.44 178.92 2wr1 n PHE 332 N -3.77 0.00 -0.98 1.13 3.72 -1.26 -5.00 117.46 111.30 2wr1 n PHE 332 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2wr1 n PHE 332 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2wr1 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr1 n GLY 333 N 1.01 0.92 0.09 1.37 0.00 -1.12 -4.89 105.19 102.57 2wr1 n GLY 333 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2wr1 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 n ALA 334 N 0.95 0.79 -1.98 4.61 0.00 -1.26 -1.32 120.51 122.30 2wr1 n ALA 334 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 2wr1 n ALA 334 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 2wr1 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr1 s ILE 335 N -2.74 2.82 -1.08 0.00 1.01 -1.26 -1.37 121.20 118.58 2wr1 s ILE 335 Ca -0.26 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2wr1 s ILE 335 Cb 0.04 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2wr1 s ILE 335 CO 0.38 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.39 2wr1 n ALA 336 N 3.47 -0.66 -2.42 9.38 0.00 -1.16 -4.59 120.51 124.53 2wr1 n ALA 336 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wr1 n ALA 336 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2wr1 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr1 n GLY 337 N -0.68 2.72 0.24 0.00 0.00 -0.47 -4.92 105.19 102.08 2wr1 n GLY 337 Ca -0.14 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.78 2wr1 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr1 h PHE 338 N 0.00 0.00 -3.17 1.61 -5.15 -1.18 -3.28 116.94 105.77 2wr1 h PHE 338 Ca 0.00 0.00 -0.75 0.00 -0.20 0.00 0.00 57.97 57.02 2wr1 h PHE 338 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 35.94 2wr1 h PHE 338 CO 0.00 0.14 -0.03 0.42 -2.00 0.00 0.00 178.31 176.83 2wr1 s ILE 339 N -3.64 5.19 -0.17 0.88 1.01 -0.84 -4.20 121.20 119.42 2wr1 s ILE 339 Ca 0.01 -1.59 0.29 0.00 0.00 0.00 0.00 60.65 59.36 2wr1 s ILE 339 Cb 0.10 -4.42 0.35 0.00 0.01 0.00 0.00 42.46 38.50 2wr1 s ILE 339 CO 0.61 -0.99 1.84 -0.33 0.00 0.00 0.00 174.94 176.06 2wr1 h GLU 340 N 8.72 0.00 -3.68 2.79 5.08 -1.81 -3.06 114.58 122.63 2wr1 h GLU 340 Ca -0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2wr1 h GLU 340 Cb 1.08 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 2wr1 h GLU 340 CO 1.00 0.00 -0.20 0.20 -1.00 0.00 0.00 179.01 179.00 2wr1 s GLY 341 N -4.07 0.25 0.51 -3.84 0.00 -1.26 -4.58 107.32 94.33 2wr1 s GLY 341 Ca 0.04 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2wr1 s GLY 341 CO 0.56 -0.64 0.72 -0.32 0.00 0.00 0.00 173.10 173.43 2wr1 s GLY 342 N -2.93 1.75 -0.25 0.20 0.00 0.11 -4.66 107.32 101.54 2wr1 s GLY 342 Ca 0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 2wr1 s GLY 342 CO -0.02 -1.03 -0.04 -0.98 0.00 0.00 0.00 173.10 171.02 2wr1 s TRP 343 N -2.66 3.05 -0.16 1.90 0.51 0.63 -4.12 118.94 118.10 2wr1 s TRP 343 Ca 0.54 -1.40 0.29 0.00 -2.12 0.00 0.00 56.10 53.42 2wr1 s TRP 343 Cb -0.10 -2.09 1.07 0.00 -0.81 0.00 0.00 33.47 31.55 2wr1 s TRP 343 CO 0.38 -0.69 1.85 1.96 -0.51 0.00 0.00 176.95 179.94 2wr1 h GLN 344 N 8.05 0.00 0.00 4.98 4.20 -1.87 -1.42 115.11 129.05 2wr1 h GLN 344 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2wr1 h GLN 344 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2wr1 h GLN 344 CO 0.58 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.15 2wr1 n GLY 345 N 0.31 -1.35 3.27 3.46 0.00 -1.26 -4.46 105.19 105.16 2wr1 n GLY 345 Ca 0.02 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2wr1 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr1 s MET 346 N -2.87 2.94 0.01 1.61 -2.45 -1.20 -4.90 119.30 112.44 2wr1 s MET 346 Ca 0.17 -1.95 0.22 0.00 -1.25 0.00 0.00 55.69 52.88 2wr1 s MET 346 Cb 0.18 -4.18 -0.21 0.00 1.25 0.00 0.00 34.83 31.87 2wr1 s MET 346 CO 0.47 -1.27 0.73 1.33 1.05 0.00 0.00 175.02 177.33 2wr1 n VAL 347 N 4.75 0.07 -0.91 10.11 0.24 -1.26 -4.39 118.33 126.94 2wr1 n VAL 347 Ca -0.05 -0.32 0.05 0.00 -2.04 0.00 0.00 64.34 61.98 2wr1 n VAL 347 Cb 0.42 0.29 0.39 0.00 -1.47 0.00 0.00 33.84 33.46 2wr1 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr1 n ASP 348 N -2.02 5.58 0.00 -1.34 5.75 -1.26 -4.98 116.55 118.28 2wr1 n ASP 348 Ca -0.00 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 2wr1 n ASP 348 Cb 0.48 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2wr1 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr1 n GLY 349 N 0.49 0.13 0.08 6.12 0.00 -1.26 -4.78 105.19 105.97 2wr1 n GLY 349 Ca 0.30 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2wr1 n GLY 349 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wr1 h TRP 350 N 0.00 0.17 -3.97 1.61 6.55 -1.90 -3.39 115.95 115.03 2wr1 h TRP 350 Ca 0.00 -0.12 -0.25 0.00 0.95 0.00 0.00 58.89 59.47 2wr1 h TRP 350 Cb 0.00 -0.01 -0.21 0.00 -0.86 0.00 0.00 29.16 28.09 2wr1 h TRP 350 CO 0.00 1.12 -0.72 0.71 -1.05 0.00 0.00 178.44 178.50 2wr1 s TYR 351 N -2.66 0.60 -0.10 0.49 2.02 -1.26 -0.08 117.35 116.35 2wr1 s TYR 351 Ca -0.03 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2wr1 s TYR 351 Cb 0.09 -0.37 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 2wr1 s TYR 351 CO 0.84 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 175.12 2wr1 n GLY 352 N 1.40 -0.60 3.17 0.71 0.00 -0.56 -0.33 105.19 108.98 2wr1 n GLY 352 Ca -0.22 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2wr1 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 353 N -3.18 1.33 -0.14 1.61 2.02 0.09 -1.07 117.35 118.02 2wr1 s TYR 353 Ca 0.00 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2wr1 s TYR 353 Cb 0.00 -0.78 -0.00 0.00 -0.40 0.00 0.00 41.96 40.78 2wr1 s TYR 353 CO 0.00 0.06 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.28 2wr1 s HIS 354 N -0.92 2.72 0.22 2.71 5.65 -0.05 -0.78 115.29 124.85 2wr1 s HIS 354 Ca 0.02 -1.02 0.11 0.00 0.25 0.00 0.00 55.06 54.42 2wr1 s HIS 354 Cb -0.08 -1.83 -0.05 0.00 -1.18 0.00 0.00 32.58 29.44 2wr1 s HIS 354 CO 0.02 -0.44 -0.19 -3.38 -0.65 0.00 0.00 174.74 170.10 2wr1 s HIS 355 N 0.63 2.37 -0.12 3.88 -3.43 0.14 0.12 115.29 118.88 2wr1 s HIS 355 Ca -0.10 -0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 53.79 2wr1 s HIS 355 Cb -0.16 -1.12 0.06 0.00 -1.43 0.00 0.00 32.58 29.92 2wr1 s HIS 355 CO 0.03 0.57 0.26 0.45 -2.00 0.00 0.00 174.74 174.05 2wr1 s SER 356 N -2.99 0.01 0.00 7.38 0.15 -0.16 -4.07 113.70 114.02 2wr1 s SER 356 Ca 0.25 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2wr1 s SER 356 Cb -0.07 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2wr1 s SER 356 CO 0.13 -0.20 0.00 -0.46 1.20 0.00 0.00 173.24 173.90 2wr1 n ASN 357 N 4.77 0.00 0.01 5.45 0.23 -0.60 -0.99 115.26 124.13 2wr1 n ASN 357 Ca -0.16 -0.52 0.06 0.00 -0.53 0.00 0.00 54.58 53.43 2wr1 n ASN 357 Cb 0.51 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 2wr1 n ASN 357 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr1 h ASP 358 N 0.00 0.40 0.01 0.53 3.32 -2.00 -2.11 116.42 116.58 2wr1 h ASP 358 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wr1 h ASP 358 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wr1 h ASP 358 CO 0.00 0.28 -0.01 0.00 -1.72 0.00 0.00 179.24 177.79 2wr1 n GLN 359 N -4.48 1.36 0.00 3.56 6.02 -1.26 -5.04 117.38 117.55 2wr1 n GLN 359 Ca 0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 2wr1 n GLN 359 Cb 0.14 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2wr1 n GLN 359 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wr1 n GLY 360 N 1.12 0.22 3.59 1.08 0.00 -0.79 -5.11 105.19 105.29 2wr1 n GLY 360 Ca 0.21 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 2wr1 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 361 N -4.00 -0.18 0.00 1.61 1.04 -1.26 -1.55 113.70 109.36 2wr1 s SER 361 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2wr1 s SER 361 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2wr1 s SER 361 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2wr1 n GLY 362 N 0.05 0.00 3.55 7.32 0.00 -1.26 -5.05 105.19 109.81 2wr1 n GLY 362 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2wr1 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 363 N 0.00 2.96 -0.26 1.61 2.02 -1.26 0.29 117.35 122.71 2wr1 s TYR 363 Ca 0.00 -0.10 -0.10 0.00 -0.37 0.00 0.00 57.07 56.49 2wr1 s TYR 363 Cb 0.00 -1.79 0.10 0.00 -0.40 0.00 0.00 41.96 39.88 2wr1 s TYR 363 CO 0.00 0.20 0.57 0.00 -1.57 0.00 0.00 175.55 174.75 2wr1 s ALA 364 N -0.42 -1.69 0.38 3.71 0.00 0.04 -5.01 121.76 118.78 2wr1 s ALA 364 Ca 0.06 2.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.83 2wr1 s ALA 364 Cb -0.12 -1.53 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 2wr1 s ALA 364 CO 0.02 -0.74 1.15 0.00 0.00 0.00 0.00 175.76 176.19 2wr1 s ALA 365 N 2.49 3.18 -0.70 0.00 0.00 -1.26 -0.73 121.76 124.73 2wr1 s ALA 365 Ca -0.06 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 2wr1 s ALA 365 Cb -0.11 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.70 2wr1 s ALA 365 CO -0.17 -0.44 1.13 0.34 0.00 0.00 0.00 175.76 176.62 2wr1 s ASP 366 N -1.16 6.17 0.22 0.00 2.15 0.56 -4.88 116.67 119.72 2wr1 s ASP 366 Ca 0.56 -0.70 -0.08 0.00 0.43 0.00 0.00 52.55 52.76 2wr1 s ASP 366 Cb -0.30 -2.49 0.28 0.00 -0.30 0.00 0.00 42.92 40.11 2wr1 s ASP 366 CO 0.37 -1.65 1.82 0.11 -0.17 0.00 0.00 175.17 175.65 2wr1 h LYS 367 N 9.80 0.73 0.20 4.34 6.56 -1.92 -2.07 116.57 134.22 2wr1 h LYS 367 Ca -0.28 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 2wr1 h LYS 367 Cb 1.06 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2wr1 h LYS 367 CO 1.23 0.49 -0.10 1.49 -2.06 0.00 0.00 179.45 180.50 2wr1 h GLU 368 N 0.76 -0.26 -0.43 3.15 4.81 -1.97 -0.08 114.58 120.55 2wr1 h GLU 368 Ca 0.33 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2wr1 h GLU 368 Cb 0.20 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2wr1 h GLU 368 CO -0.19 0.04 -0.07 0.66 -0.73 0.00 0.00 179.01 178.73 2wr1 h SER 369 N -0.57 0.73 -0.39 1.04 4.64 -1.95 -0.71 113.55 116.33 2wr1 h SER 369 Ca -0.03 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2wr1 h SER 369 Cb 0.42 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2wr1 h SER 369 CO 0.05 0.84 0.20 0.74 -0.87 0.00 0.00 176.83 177.78 2wr1 h THR 370 N 0.69 0.99 -0.37 2.95 2.02 -1.29 -1.54 112.91 116.36 2wr1 h THR 370 Ca 0.12 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 2wr1 h THR 370 Cb 0.52 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2wr1 h THR 370 CO 0.03 0.07 -0.33 -0.61 0.37 0.00 0.00 175.52 175.06 2wr1 h GLN 371 N 0.41 0.82 -0.57 6.66 5.75 -0.62 -0.90 115.11 126.65 2wr1 h GLN 371 Ca 0.16 -0.39 0.05 0.00 -0.15 0.00 0.00 58.65 58.32 2wr1 h GLN 371 Cb 0.06 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 2wr1 h GLN 371 CO -0.11 1.02 0.31 -0.22 -2.65 0.00 0.00 178.83 177.19 2wr1 h LYS 372 N 0.69 0.58 -0.64 1.69 3.64 -0.96 0.04 116.57 121.60 2wr1 h LYS 372 Ca 0.07 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2wr1 h LYS 372 Cb 0.88 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2wr1 h LYS 372 CO 0.08 0.38 0.15 0.00 -2.27 0.00 0.00 179.45 177.79 2wr1 h ALA 373 N 1.29 0.84 -0.82 5.00 0.00 -1.00 -1.40 119.26 123.18 2wr1 h ALA 373 Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wr1 h ALA 373 Cb 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wr1 h ALA 373 CO -0.15 0.57 0.41 0.27 0.00 0.00 0.00 179.25 180.34 2wr1 h PHE 374 N 0.95 1.17 -0.18 0.00 -0.00 -0.70 -1.19 116.94 116.98 2wr1 h PHE 374 Ca 0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.97 58.11 2wr1 h PHE 374 Cb 0.37 -0.37 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 2wr1 h PHE 374 CO 0.03 0.84 0.09 -0.44 -0.00 0.00 0.00 178.31 178.82 2wr1 h ASP 375 N 1.16 0.24 -0.25 -0.68 3.32 -0.78 -0.66 116.42 118.77 2wr1 h ASP 375 Ca 0.28 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.25 2wr1 h ASP 375 Cb 0.09 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2wr1 h ASP 375 CO -0.04 0.30 0.00 1.23 -1.72 0.00 0.00 179.24 179.01 2wr1 h GLY 376 N 0.17 0.24 1.70 2.75 0.00 -1.06 -0.80 103.07 106.06 2wr1 h GLY 376 Ca 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 2wr1 h GLY 376 CO -0.01 -0.05 -0.75 -2.22 0.00 0.00 0.00 176.54 173.51 2wr1 h ILE 377 N 0.08 1.42 -0.51 2.60 1.08 -1.17 -1.20 117.51 119.80 2wr1 h ILE 377 Ca 0.12 -2.27 -0.02 0.00 -0.39 0.00 0.00 64.86 62.31 2wr1 h ILE 377 Cb 0.15 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 2wr1 h ILE 377 CO -0.20 0.67 0.26 0.74 -0.69 0.00 0.00 178.15 178.93 2wr1 h THR 378 N 0.19 1.19 -0.53 -0.27 2.02 -1.02 -1.63 112.91 112.86 2wr1 h THR 378 Ca -0.03 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 2wr1 h THR 378 Cb 1.33 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2wr1 h THR 378 CO 0.12 0.21 0.16 0.78 0.37 0.00 0.00 175.52 177.16 2wr1 h ASN 379 N 0.68 0.73 0.11 4.18 2.35 -0.66 -0.88 115.58 122.09 2wr1 h ASN 379 Ca 0.18 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2wr1 h ASN 379 Cb 0.10 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2wr1 h ASN 379 CO -0.02 0.70 -0.05 0.50 -1.65 0.00 0.00 177.43 176.90 2wr1 h LYS 380 N 0.77 -0.14 -0.23 0.81 3.64 -0.93 0.27 116.57 120.76 2wr1 h LYS 380 Ca 0.18 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2wr1 h LYS 380 Cb 0.23 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2wr1 h LYS 380 CO -0.01 0.10 0.06 0.28 -2.27 0.00 0.00 179.45 177.61 2wr1 h VAL 381 N -0.38 0.91 -0.97 2.00 2.07 -1.17 -2.23 116.25 116.49 2wr1 h VAL 381 Ca -0.02 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2wr1 h VAL 381 Cb 0.31 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2wr1 h VAL 381 CO 0.02 0.03 0.64 0.78 0.02 0.00 0.00 177.57 179.06 2wr1 h ASN 382 N 0.15 1.07 0.13 0.57 -0.26 -1.06 -2.51 115.58 113.67 2wr1 h ASN 382 Ca 0.10 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.83 2wr1 h ASN 382 Cb 0.09 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2wr1 h ASN 382 CO -0.12 0.75 -0.14 0.28 -1.06 0.00 0.00 177.43 177.13 2wr1 h SER 383 N 1.25 -0.38 -0.69 5.81 0.02 0.04 0.38 113.55 119.99 2wr1 h SER 383 Ca 0.37 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.43 2wr1 h SER 383 Cb -0.05 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2wr1 h SER 383 CO -0.10 -0.22 0.46 0.58 -1.14 0.00 0.00 176.83 176.41 2wr1 h VAL 384 N -0.31 1.01 0.00 2.27 2.07 -1.16 -2.44 116.25 117.70 2wr1 h VAL 384 Ca 0.01 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2wr1 h VAL 384 Cb 0.30 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wr1 h VAL 384 CO -0.05 0.13 -0.23 0.40 0.02 0.00 0.00 177.57 177.84 2wr1 h ILE 385 N 0.71 1.48 0.00 4.57 2.04 -1.05 -3.40 117.51 121.86 2wr1 h ILE 385 Ca 0.30 -2.20 -0.13 0.00 1.00 0.00 0.00 64.86 63.84 2wr1 h ILE 385 Cb 0.26 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2wr1 h ILE 385 CO -0.10 0.50 -0.60 -0.33 0.00 0.00 0.00 178.15 177.63 2wr1 h GLU 386 N -1.00 0.00 0.00 2.37 5.08 -0.22 -2.96 114.58 117.85 2wr1 h GLU 386 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wr1 h GLU 386 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2wr1 h GLU 386 CO -0.04 0.60 0.00 1.63 -1.00 0.00 0.00 179.01 180.20 2wr1 n LYS 387 N -3.76 0.05 -2.50 2.33 4.76 -0.92 -4.73 118.16 113.40 2wr1 n LYS 387 Ca -0.01 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.14 2wr1 n LYS 387 Cb 0.61 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 2wr1 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr1 s MET 388 N -2.93 4.00 0.08 1.97 1.75 -1.12 -4.99 119.30 118.06 2wr1 s MET 388 Ca 0.12 1.23 -0.30 0.00 -1.25 0.00 0.00 55.69 55.48 2wr1 s MET 388 Cb 0.14 -3.82 -0.05 0.00 2.84 0.00 0.00 34.83 33.93 2wr1 s MET 388 CO 0.37 -1.00 1.11 1.21 -0.65 0.00 0.00 175.02 176.05 2wr1 s ASN 389 N 2.32 7.22 -0.02 1.11 3.84 -1.26 -5.06 114.94 123.09 2wr1 s ASN 389 Ca 0.52 1.93 0.05 0.00 0.21 0.00 0.00 52.86 55.57 2wr1 s ASN 389 Cb -0.16 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 37.95 2wr1 s ASN 389 CO 0.20 -0.33 -0.17 0.28 -2.79 0.00 0.00 177.10 174.28 2wr1 s THR 390 N 0.68 1.38 0.10 -5.21 -1.32 -1.26 -5.03 115.64 104.97 2wr1 s THR 390 Ca 0.54 -0.73 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 2wr1 s THR 390 Cb -0.27 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 2wr1 s THR 390 CO 0.30 0.39 -0.08 0.00 -2.21 0.00 0.00 174.62 173.03 2wr1 s GLN 391 N -0.26 0.82 0.15 7.08 -2.07 -1.26 -5.01 119.66 119.11 2wr1 s GLN 391 Ca 0.03 -1.25 -0.33 0.00 -1.82 0.00 0.00 55.36 51.99 2wr1 s GLN 391 Cb -0.08 -0.30 -0.13 0.00 -1.09 0.00 0.00 33.01 31.40 2wr1 s GLN 391 CO 0.00 0.01 1.65 0.34 -1.32 0.00 0.00 175.29 175.97 2wr1 n PHE 392 N 0.22 2.40 -3.72 9.60 7.35 -1.26 -4.38 117.46 127.68 2wr1 n PHE 392 Ca -0.14 0.17 -0.14 0.00 -0.76 0.00 0.00 57.45 56.59 2wr1 n PHE 392 Cb 0.60 -2.59 -0.09 0.00 0.35 0.00 0.00 39.48 37.75 2wr1 n PHE 392 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2wr1 s GLU 393 N 1.29 0.65 -0.29 -4.13 2.02 0.13 -4.97 118.70 113.40 2wr1 s GLU 393 Ca 0.79 0.15 -0.02 0.00 0.02 0.00 0.00 54.97 55.91 2wr1 s GLU 393 Cb -0.63 0.30 0.04 0.00 0.10 0.00 0.00 34.13 33.94 2wr1 s GLU 393 CO 0.37 -0.16 -0.01 0.00 0.02 0.00 0.00 175.26 175.49 2wr1 s ALA 394 N -0.74 2.80 0.01 5.21 0.00 -1.26 -1.31 121.76 126.47 2wr1 s ALA 394 Ca -0.08 -1.68 -0.20 0.00 0.00 0.00 0.00 51.96 49.99 2wr1 s ALA 394 Cb -0.04 -1.90 -0.21 0.00 0.00 0.00 0.00 23.12 20.97 2wr1 s ALA 394 CO 0.04 -1.16 1.14 0.28 0.00 0.00 0.00 175.76 176.06 2wr1 h VAL 395 N 6.37 1.43 -2.93 0.00 2.07 -1.41 -3.45 116.25 118.33 2wr1 h VAL 395 Ca -0.24 -1.93 -0.53 0.00 0.82 0.00 0.00 66.70 64.83 2wr1 h VAL 395 Cb 1.07 2.47 0.04 0.00 -1.52 0.00 0.00 31.29 33.35 2wr1 h VAL 395 CO 0.55 0.56 0.82 -0.83 0.02 0.00 0.00 177.57 178.68 2wr1 s GLY 396 N -3.96 1.76 0.19 2.17 0.00 -1.26 -5.00 107.32 101.22 2wr1 s GLY 396 Ca -0.14 1.29 0.09 0.00 0.00 0.00 0.00 44.72 45.96 2wr1 s GLY 396 CO 0.80 2.51 -0.18 0.54 0.00 0.00 0.00 173.10 176.77 2wr1 s LYS 397 N 0.98 1.35 -0.17 2.90 -0.14 -1.26 -4.52 119.74 118.88 2wr1 s LYS 397 Ca 0.67 -1.50 -0.04 0.00 -1.36 0.00 0.00 55.97 53.74 2wr1 s LYS 397 Cb -0.41 -1.36 -0.03 0.00 -1.68 0.00 0.00 37.83 34.34 2wr1 s LYS 397 CO 0.32 0.27 -0.02 -1.21 -0.76 0.00 0.00 175.35 173.95 2wr1 s GLU 398 N -3.07 3.69 0.00 1.68 0.41 -1.26 -5.09 118.70 115.06 2wr1 s GLU 398 Ca 0.19 -0.50 0.04 0.00 -0.41 0.00 0.00 54.97 54.29 2wr1 s GLU 398 Cb -0.05 -2.99 -0.01 0.00 -1.78 0.00 0.00 34.13 29.30 2wr1 s GLU 398 CO 0.08 0.18 -0.11 -0.06 -0.49 0.00 0.00 175.26 174.86 2wr1 s PHE 399 N 0.54 0.99 1.01 1.61 0.08 -1.26 -4.94 117.98 116.00 2wr1 s PHE 399 Ca -0.02 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 2wr1 s PHE 399 Cb -0.14 -0.62 0.21 0.00 -0.57 0.00 0.00 43.02 41.90 2wr1 s PHE 399 CO 0.02 -0.01 1.26 -1.54 -0.10 0.00 0.00 175.22 174.86 2wr1 s SER 400 N -0.51 2.68 0.08 1.36 1.04 -1.26 -4.92 113.70 112.16 2wr1 s SER 400 Ca 0.03 0.40 0.26 0.00 0.48 0.00 0.00 55.95 57.12 2wr1 s SER 400 Cb -0.05 -0.53 1.02 0.00 0.10 0.00 0.00 66.02 66.56 2wr1 s SER 400 CO -0.00 -3.02 1.81 -0.46 0.98 0.00 0.00 173.24 172.56 2wr1 n ASN 401 N -3.98 0.28 -1.86 7.02 6.94 -1.26 -1.92 115.26 120.48 2wr1 n ASN 401 Ca 0.14 0.53 0.07 0.00 -0.02 0.00 0.00 54.58 55.31 2wr1 n ASN 401 Cb 0.59 -0.61 0.40 0.00 -2.36 0.00 0.00 39.78 37.81 2wr1 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr1 n LEU 402 N -1.77 5.62 -1.82 -4.53 4.77 -1.26 -4.33 117.00 113.67 2wr1 n LEU 402 Ca 0.06 -2.85 -0.12 0.00 -0.03 0.00 0.00 56.01 53.07 2wr1 n LEU 402 Cb 0.34 -0.68 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2wr1 n LEU 402 CO 0.26 0.64 0.18 -0.62 -1.33 0.00 0.00 177.39 176.52 2wr1 n GLU 403 N 0.67 2.62 -0.18 3.23 1.02 -0.81 -4.84 120.64 122.35 2wr1 n GLU 403 Ca 0.27 -3.73 -0.08 0.00 -0.02 0.00 0.00 57.16 53.61 2wr1 n GLU 403 Cb 1.16 -1.87 0.06 0.00 -0.02 0.00 0.00 31.44 30.77 2wr1 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr1 h ARG 404 N 1.92 1.00 -0.39 3.49 2.47 -1.75 -0.53 114.38 120.58 2wr1 h ARG 404 Ca 0.16 -0.31 -0.05 0.00 -1.26 0.00 0.00 59.98 58.52 2wr1 h ARG 404 Cb 1.40 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2wr1 h ARG 404 CO 0.45 0.99 0.05 0.00 0.56 0.00 0.00 179.97 182.03 2wr1 h ARG 405 N 0.91 0.65 -0.63 0.04 3.08 -1.96 0.15 114.38 116.62 2wr1 h ARG 405 Ca 0.16 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wr1 h ARG 405 Cb 0.55 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2wr1 h ARG 405 CO 0.03 0.71 0.36 1.25 -1.07 0.00 0.00 179.97 181.25 2wr1 h LEU 406 N 0.49 0.76 -1.36 3.04 5.85 -1.89 0.16 115.31 122.37 2wr1 h LEU 406 Ca 0.12 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2wr1 h LEU 406 Cb 0.38 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2wr1 h LEU 406 CO 0.01 0.61 0.29 -0.08 -0.34 0.00 0.00 178.44 178.94 2wr1 h GLU 407 N 0.85 0.73 -0.10 1.25 4.81 -0.77 -0.94 114.58 120.41 2wr1 h GLU 407 Ca 0.22 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 2wr1 h GLU 407 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2wr1 h GLU 407 CO -0.04 0.54 -0.58 -0.97 -0.73 0.00 0.00 179.01 177.23 2wr1 h ASN 408 N 0.74 0.37 -0.15 1.04 -1.24 -0.07 -1.33 115.58 114.95 2wr1 h ASN 408 Ca 0.19 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 2wr1 h ASN 408 Cb 0.02 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 2wr1 h ASN 408 CO -0.03 0.87 -0.04 0.25 -1.29 0.00 0.00 177.43 177.18 2wr1 h LEU 409 N 0.25 0.29 -0.59 0.34 5.85 -0.28 -0.46 115.31 120.71 2wr1 h LEU 409 Ca -0.00 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.44 2wr1 h LEU 409 Cb 1.09 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2wr1 h LEU 409 CO 0.09 0.60 0.16 -1.13 -0.34 0.00 0.00 178.44 177.83 2wr1 h ASN 410 N -0.03 0.10 -0.70 1.25 -1.24 -1.10 -0.90 115.58 112.96 2wr1 h ASN 410 Ca 0.04 0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 2wr1 h ASN 410 Cb 0.48 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 2wr1 h ASN 410 CO 0.02 0.06 0.21 0.50 -1.29 0.00 0.00 177.43 176.93 2wr1 h LYS 411 N 0.32 1.11 -0.52 6.67 3.64 -0.84 -1.46 116.57 125.49 2wr1 h LYS 411 Ca 0.30 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2wr1 h LYS 411 Cb 0.41 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2wr1 h LYS 411 CO -0.35 0.95 0.03 -0.22 -2.27 0.00 0.00 179.45 177.58 2wr1 h LYS 412 N 1.06 0.86 -0.27 1.90 3.64 -0.70 0.84 116.57 123.89 2wr1 h LYS 412 Ca 0.23 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2wr1 h LYS 412 Cb 0.31 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2wr1 h LYS 412 CO -0.01 0.84 0.02 1.98 -2.27 0.00 0.00 179.45 180.02 2wr1 h MET 413 N 0.81 0.46 -0.32 1.90 4.05 -0.75 0.14 114.93 121.21 2wr1 h MET 413 Ca 0.16 -0.14 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 2wr1 h MET 413 Cb 0.45 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2wr1 h MET 413 CO 0.02 0.60 -0.03 0.93 0.23 0.00 0.00 176.91 178.66 2wr1 h GLU 414 N 0.26 0.59 -0.55 0.39 4.39 -0.94 -1.81 114.58 116.91 2wr1 h GLU 414 Ca 0.08 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2wr1 h GLU 414 Cb 0.38 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2wr1 h GLU 414 CO 0.01 0.75 0.30 -0.44 -1.16 0.00 0.00 179.01 178.46 2wr1 h ASP 415 N 0.38 0.67 -0.28 1.42 3.32 -0.84 0.10 116.42 121.20 2wr1 h ASP 415 Ca 0.09 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2wr1 h ASP 415 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2wr1 h ASP 415 CO 0.02 0.55 0.03 1.23 -1.72 0.00 0.00 179.24 179.35 2wr1 h GLY 416 N 0.84 0.52 1.09 2.75 0.00 -0.76 -0.21 103.07 107.31 2wr1 h GLY 416 Ca 0.20 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2wr1 h GLY 416 CO -0.03 0.33 -0.16 0.74 0.00 0.00 0.00 176.54 177.42 2wr1 h PHE 417 N 0.29 1.13 -0.81 5.60 0.04 -1.13 -1.89 116.94 120.17 2wr1 h PHE 417 Ca 0.08 -0.26 0.11 0.00 2.80 0.00 0.00 57.97 60.70 2wr1 h PHE 417 Cb 0.37 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 38.17 2wr1 h PHE 417 CO 0.03 1.08 0.45 1.25 -0.60 0.00 0.00 178.31 180.51 2wr1 h LEU 418 N 0.86 0.61 -0.19 1.54 5.85 -0.84 0.61 115.31 123.76 2wr1 h LEU 418 Ca 0.12 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2wr1 h LEU 418 Cb 0.73 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2wr1 h LEU 418 CO 0.06 0.33 -0.04 0.44 -0.34 0.00 0.00 178.44 178.89 2wr1 h ASP 419 N 0.73 0.35 0.11 1.25 3.32 -0.74 -1.62 116.42 119.82 2wr1 h ASP 419 Ca 0.40 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wr1 h ASP 419 Cb 0.43 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2wr1 h ASP 419 CO -0.27 0.63 -0.05 0.58 -1.72 0.00 0.00 179.24 178.40 2wr1 h VAL 420 N 0.08 0.89 -0.29 -1.35 2.07 -1.01 -1.85 116.25 114.79 2wr1 h VAL 420 Ca 0.05 -0.02 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 2wr1 h VAL 420 Cb 0.47 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2wr1 h VAL 420 CO 0.02 0.00 -0.43 -0.50 0.02 0.00 0.00 177.57 176.68 2wr1 h TRP 421 N -0.16 0.87 0.31 1.57 4.06 -0.89 -1.50 115.95 120.21 2wr1 h TRP 421 Ca -0.02 -0.27 -0.02 0.00 2.06 0.00 0.00 58.89 60.65 2wr1 h TRP 421 Cb 0.12 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.11 2wr1 h TRP 421 CO -0.07 1.02 -0.15 1.15 -3.56 0.00 0.00 178.44 176.83 2wr1 h THR 422 N 0.58 0.70 -0.17 1.49 2.02 -1.26 0.16 112.91 116.42 2wr1 h THR 422 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2wr1 h THR 422 Cb 0.98 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2wr1 h THR 422 CO 0.09 0.00 0.09 0.22 0.37 0.00 0.00 175.52 176.29 2wr1 h TYR 423 N -0.43 0.16 -0.09 3.16 3.20 -1.30 -1.65 116.97 120.02 2wr1 h TYR 423 Ca -0.04 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 2wr1 h TYR 423 Cb 0.33 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2wr1 h TYR 423 CO -0.05 0.09 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.16 2wr1 h ASN 424 N 0.19 0.27 -0.24 -2.11 2.35 -1.24 -1.76 115.58 113.03 2wr1 h ASN 424 Ca 0.07 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2wr1 h ASN 424 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wr1 h ASN 424 CO -0.05 0.72 -0.18 0.00 -1.65 0.00 0.00 177.43 176.28 2wr1 h ALA 425 N 1.29 0.35 -0.43 -0.83 0.00 -0.43 -0.95 119.26 118.26 2wr1 h ALA 425 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2wr1 h ALA 425 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2wr1 h ALA 425 CO 0.08 0.27 0.09 0.93 0.00 0.00 0.00 179.25 180.62 2wr1 h GLU 426 N 0.26 0.69 -0.04 0.00 4.39 -1.22 -1.89 114.58 116.78 2wr1 h GLU 426 Ca 0.05 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 2wr1 h GLU 426 Cb 0.71 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2wr1 h GLU 426 CO 0.05 0.71 -0.77 -0.07 -1.16 0.00 0.00 179.01 177.77 2wr1 h LEU 427 N 0.56 0.34 -0.37 1.33 4.07 -1.29 -1.83 115.31 118.11 2wr1 h LEU 427 Ca 0.13 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 2wr1 h LEU 427 Cb 0.34 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2wr1 h LEU 427 CO 0.00 0.98 0.23 0.25 -1.08 0.00 0.00 178.44 178.82 2wr1 h LEU 428 N 0.18 0.45 -0.12 1.67 5.85 -0.92 0.16 115.31 122.58 2wr1 h LEU 428 Ca -0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2wr1 h LEU 428 Cb 1.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2wr1 h LEU 428 CO 0.12 0.36 0.08 0.58 -0.34 0.00 0.00 178.44 179.24 2wr1 h VAL 429 N 0.49 1.04 0.17 1.05 2.07 -1.19 0.21 116.25 120.09 2wr1 h VAL 429 Ca 0.13 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2wr1 h VAL 429 Cb -0.01 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2wr1 h VAL 429 CO -0.03 0.04 -0.12 -0.07 0.02 0.00 0.00 177.57 177.41 2wr1 h LEU 430 N 0.16 -0.31 -0.16 2.57 3.38 -0.96 -1.06 115.31 118.92 2wr1 h LEU 430 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wr1 h LEU 430 Cb -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wr1 h LEU 430 CO -0.01 -0.20 0.09 0.24 0.09 0.00 0.00 178.44 178.66 2wr1 h MET 431 N -0.30 0.21 0.00 1.13 2.86 -0.56 -2.28 114.93 116.00 2wr1 h MET 431 Ca -0.01 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2wr1 h MET 431 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2wr1 h MET 431 CO -0.00 0.19 -0.36 0.93 1.06 0.00 0.00 176.91 178.73 2wr1 h GLU 432 N 0.18 0.00 -0.25 1.72 4.39 -0.48 -2.66 114.58 117.48 2wr1 h GLU 432 Ca 0.06 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2wr1 h GLU 432 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2wr1 h GLU 432 CO -0.01 0.36 -0.43 -0.91 -1.16 0.00 0.00 179.01 176.86 2wr1 h ASN 433 N 0.00 0.65 -0.57 1.42 2.35 -0.89 0.10 115.58 118.63 2wr1 h ASN 433 Ca -0.00 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2wr1 h ASN 433 Cb 0.66 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2wr1 h ASN 433 CO 0.05 0.99 0.28 -0.08 -1.65 0.00 0.00 177.43 177.02 2wr1 h GLU 434 N 0.49 0.82 -0.23 0.81 4.57 -1.12 -2.46 114.58 117.46 2wr1 h GLU 434 Ca 0.04 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 2wr1 h GLU 434 Cb 0.94 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2wr1 h GLU 434 CO 0.08 0.66 -0.34 0.00 -1.18 0.00 0.00 179.01 178.24 2wr1 h ARG 435 N 0.78 0.49 -0.39 1.92 3.08 -1.15 -2.76 114.38 116.34 2wr1 h ARG 435 Ca 0.20 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2wr1 h ARG 435 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2wr1 h ARG 435 CO -0.03 0.77 0.06 1.15 -1.07 0.00 0.00 179.97 180.85 2wr1 h THR 436 N 0.42 1.24 -0.64 2.04 2.02 -0.73 0.58 112.91 117.84 2wr1 h THR 436 Ca 0.05 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2wr1 h THR 436 Cb 0.79 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2wr1 h THR 436 CO 0.06 0.30 0.23 -0.07 0.37 0.00 0.00 175.52 176.42 2wr1 h LEU 437 N 0.50 0.90 -1.14 2.58 4.07 -1.43 -1.89 115.31 118.91 2wr1 h LEU 437 Ca 0.12 -0.19 -0.09 0.00 0.08 0.00 0.00 57.88 57.81 2wr1 h LEU 437 Cb 0.38 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2wr1 h LEU 437 CO 0.01 0.85 -0.36 0.44 -1.08 0.00 0.00 178.44 178.30 2wr1 h ASP 438 N 0.91 0.14 0.11 -0.43 3.32 -1.35 -2.24 116.42 116.88 2wr1 h ASP 438 Ca 0.21 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2wr1 h ASP 438 Cb 0.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2wr1 h ASP 438 CO -0.01 0.49 -0.05 0.15 -1.72 0.00 0.00 179.24 178.09 2wr1 h PHE 439 N 0.12 -0.13 -0.89 4.55 3.57 -0.57 -0.30 116.94 123.29 2wr1 h PHE 439 Ca 0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.63 2wr1 h PHE 439 Cb 0.69 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 2wr1 h PHE 439 CO 0.01 0.11 0.58 0.45 -2.23 0.00 0.00 178.31 177.22 2wr1 h HIS 440 N -0.37 0.91 -0.20 0.41 3.86 -1.27 -0.40 115.15 118.09 2wr1 h HIS 440 Ca -0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2wr1 h HIS 440 Cb 0.30 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2wr1 h HIS 440 CO 0.00 0.38 -0.09 0.22 0.86 0.00 0.00 177.93 179.30 2wr1 h ASP 441 N 0.81 0.43 -0.42 2.45 3.58 -1.02 -2.14 116.42 120.10 2wr1 h ASP 441 Ca 0.43 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2wr1 h ASP 441 Cb 0.54 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2wr1 h ASP 441 CO -0.19 0.74 0.26 -1.28 -2.88 0.00 0.00 179.24 175.89 2wr1 h SER 442 N 0.12 0.49 -0.93 2.28 0.87 -0.75 -0.65 113.55 114.98 2wr1 h SER 442 Ca 0.05 -0.04 0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2wr1 h SER 442 Cb 0.57 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.33 2wr1 h SER 442 CO 0.03 0.38 0.59 0.78 -0.53 0.00 0.00 176.83 178.08 2wr1 h ASN 443 N 0.56 0.71 -0.03 6.23 2.35 -0.79 0.19 115.58 124.79 2wr1 h ASN 443 Ca 0.15 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 55.73 2wr1 h ASN 443 Cb -0.03 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.27 2wr1 h ASN 443 CO -0.03 0.34 -0.86 0.58 -1.65 0.00 0.00 177.43 175.81 2wr1 h VAL 444 N 0.74 1.32 -0.62 2.81 2.07 -0.99 -1.34 116.25 120.24 2wr1 h VAL 444 Ca 0.48 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2wr1 h VAL 444 Cb 0.74 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 2wr1 h VAL 444 CO -0.24 0.65 0.35 0.50 0.02 0.00 0.00 177.57 178.86 2wr1 h LYS 445 N 0.28 0.86 -0.35 1.57 1.63 -0.56 0.44 116.57 120.44 2wr1 h LYS 445 Ca -0.10 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.54 2wr1 h LYS 445 Cb 1.53 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2wr1 h LYS 445 CO 0.17 0.64 -0.06 -0.91 -3.45 0.00 0.00 179.45 175.84 2wr1 h ASN 446 N 0.84 0.66 -0.61 4.20 2.35 -0.55 -0.08 115.58 122.39 2wr1 h ASN 446 Ca 0.22 -0.35 0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2wr1 h ASN 446 Cb 0.02 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 2wr1 h ASN 446 CO -0.04 0.86 0.32 0.25 -1.65 0.00 0.00 177.43 177.17 2wr1 h LEU 447 N 0.45 0.45 -0.35 1.61 5.85 -0.94 -1.30 115.31 121.09 2wr1 h LEU 447 Ca 0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2wr1 h LEU 447 Cb 0.56 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2wr1 h LEU 447 CO 0.03 0.29 0.18 0.22 -0.34 0.00 0.00 178.44 178.82 2wr1 h TYR 448 N 0.59 0.34 -0.28 1.25 3.20 -0.41 -2.58 116.97 119.07 2wr1 h TYR 448 Ca 0.28 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 2wr1 h TYR 448 Cb 0.20 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2wr1 h TYR 448 CO -0.10 0.19 -0.21 -0.44 -1.64 0.00 0.00 178.16 175.96 2wr1 h ASP 449 N 0.38 0.52 -0.97 -2.11 3.32 -0.70 -1.75 116.42 115.10 2wr1 h ASP 449 Ca 0.14 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.11 2wr1 h ASP 449 Cb 0.04 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 2wr1 h ASP 449 CO -0.09 0.73 0.63 0.11 -1.72 0.00 0.00 179.24 178.90 2wr1 h LYS 450 N 0.46 1.05 -0.19 3.56 1.57 -0.88 0.92 116.57 123.06 2wr1 h LYS 450 Ca 0.07 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2wr1 h LYS 450 Cb 0.62 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2wr1 h LYS 450 CO 0.04 0.70 -0.30 0.28 -0.57 0.00 0.00 179.45 179.60 2wr1 h VAL 451 N 1.08 1.34 -0.12 0.50 2.07 -1.07 -2.93 116.25 117.13 2wr1 h VAL 451 Ca 0.43 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.47 2wr1 h VAL 451 Cb 0.26 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2wr1 h VAL 451 CO -0.18 0.46 -0.21 -0.09 0.02 0.00 0.00 177.57 177.57 2wr1 h ARG 452 N 0.19 -0.27 0.00 1.57 2.43 -0.67 -0.83 114.38 116.81 2wr1 h ARG 452 Ca 0.02 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2wr1 h ARG 452 Cb 0.88 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2wr1 h ARG 452 CO 0.07 -0.18 -0.20 0.52 -1.51 0.00 0.00 179.97 178.67 2wr1 h MET 453 N -0.28 0.00 0.15 0.20 2.86 -0.87 -1.45 114.93 115.54 2wr1 h MET 453 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wr1 h MET 453 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2wr1 h MET 453 CO -0.28 0.20 -0.07 1.96 1.06 0.00 0.00 176.91 179.78 2wr1 h GLN 454 N 0.00 -0.19 -0.22 1.72 4.20 -1.21 -3.37 115.11 116.04 2wr1 h GLN 454 Ca -0.00 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 2wr1 h GLN 454 Cb 0.41 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2wr1 h GLN 454 CO 0.03 0.25 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.88 2wr1 h LEU 455 N -0.77 0.65 0.00 1.46 4.07 -1.01 -3.44 115.31 116.27 2wr1 h LEU 455 Ca -0.02 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2wr1 h LEU 455 Cb 0.53 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2wr1 h LEU 455 CO 0.03 1.03 0.00 0.54 -1.08 0.00 0.00 178.44 178.96 2wr1 n ARG 456 N -3.99 0.00 -0.20 1.13 1.74 -0.56 -1.33 116.66 113.45 2wr1 n ARG 456 Ca -0.03 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.12 2wr1 n ARG 456 Cb 0.57 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.20 2wr1 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wr1 n ASP 457 N 3.44 2.16 0.00 0.55 3.85 -1.26 -3.57 116.55 121.71 2wr1 n ASP 457 Ca 0.00 -1.98 0.08 0.00 -0.71 0.00 0.00 54.79 52.19 2wr1 n ASP 457 Cb 0.00 -0.26 0.48 0.00 -1.35 0.00 0.00 41.12 39.99 2wr1 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr1 n ASN 458 N 0.67 0.00 -3.72 -1.12 4.13 -0.44 -4.83 115.26 109.95 2wr1 n ASN 458 Ca 0.14 -1.29 -0.12 0.00 1.68 0.00 0.00 54.58 54.99 2wr1 n ASN 458 Cb 0.35 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.52 2wr1 n ASN 458 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wr1 s VAL 459 N -2.00 0.07 -0.14 2.41 1.01 -1.23 -1.25 120.40 119.26 2wr1 s VAL 459 Ca 0.24 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 2wr1 s VAL 459 Cb 0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2wr1 s VAL 459 CO 0.19 -0.32 0.67 -0.54 0.00 0.00 0.00 175.10 175.10 2wr1 s LYS 460 N -2.38 4.31 -0.58 2.72 1.02 0.12 -4.88 119.74 120.07 2wr1 s LYS 460 Ca -0.06 0.75 -0.25 0.00 0.02 0.00 0.00 55.97 56.43 2wr1 s LYS 460 Cb -0.01 -3.52 0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2wr1 s LYS 460 CO -0.02 -0.11 1.02 -2.00 -0.92 0.00 0.00 175.35 173.31 2wr1 s GLU 461 N 1.45 3.34 0.18 1.68 2.12 -1.26 -1.17 118.70 125.05 2wr1 s GLU 461 Ca 0.33 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 2wr1 s GLU 461 Cb -0.16 -4.07 0.07 0.00 0.26 0.00 0.00 34.13 30.23 2wr1 s GLU 461 CO 0.13 -1.59 1.58 -0.07 -0.54 0.00 0.00 175.26 174.77 2wr1 h LEU 462 N 11.32 0.95 0.00 2.70 -0.00 -1.82 -3.48 115.31 124.98 2wr1 h LEU 462 Ca -0.26 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 2wr1 h LEU 462 Cb 1.07 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 2wr1 h LEU 462 CO 1.13 1.12 0.00 0.61 -0.00 0.00 0.00 178.44 181.29 2wr1 n GLY 463 N -0.17 1.22 0.50 0.83 0.00 -1.26 -4.97 105.19 101.34 2wr1 n GLY 463 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2wr1 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr1 n ASN 464 N 0.00 1.53 0.00 1.61 0.23 -1.26 -4.81 115.26 112.55 2wr1 n ASN 464 Ca 0.00 -2.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 2wr1 n ASN 464 Cb 0.00 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 2wr1 n ASN 464 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 465 N -0.80 1.19 3.91 4.83 0.00 -1.26 -4.50 105.19 108.56 2wr1 n GLY 465 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2wr1 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s PHE 467 N -1.37 2.38 -0.27 0.00 0.08 0.20 -2.09 117.98 116.91 2wr1 s PHE 467 Ca 0.29 -1.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.05 2wr1 s PHE 467 Cb -0.13 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2wr1 s PHE 467 CO 0.21 -0.58 0.12 -2.00 -0.10 0.00 0.00 175.22 172.87 2wr1 s GLU 468 N 0.97 3.71 0.23 0.44 2.12 -0.32 -1.74 118.70 124.11 2wr1 s GLU 468 Ca -0.05 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 2wr1 s GLU 468 Cb -0.15 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 2wr1 s GLU 468 CO -0.03 -0.22 1.21 -0.06 -0.54 0.00 0.00 175.26 175.62 2wr1 s PHE 469 N 1.67 3.38 -1.76 5.30 0.08 -0.58 0.13 117.98 126.19 2wr1 s PHE 469 Ca 0.06 1.46 0.05 0.00 0.12 0.00 0.00 56.93 58.62 2wr1 s PHE 469 Cb -0.16 -3.46 0.15 0.00 -0.57 0.00 0.00 43.02 38.98 2wr1 s PHE 469 CO 0.07 -1.26 1.05 0.66 -0.10 0.00 0.00 175.22 175.63 2wr1 n TYR 470 N 1.93 0.27 -4.08 0.36 4.01 -0.38 -4.80 117.16 114.47 2wr1 n TYR 470 Ca 0.03 -0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 2wr1 n TYR 470 Cb 0.44 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 2wr1 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr1 s HIS 471 N -1.70 0.69 -0.01 -0.72 -3.43 -1.26 -2.10 115.29 106.76 2wr1 s HIS 471 Ca 0.11 -1.00 -0.30 0.00 -0.80 0.00 0.00 55.06 53.08 2wr1 s HIS 471 Cb 0.06 -0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 31.04 2wr1 s HIS 471 CO 0.06 -0.82 0.96 0.15 -2.00 0.00 0.00 174.74 173.10 2wr1 s LYS 472 N -4.07 4.55 -0.32 -0.38 -0.14 -1.26 -4.84 119.74 113.28 2wr1 s LYS 472 Ca 0.29 1.39 0.03 0.00 -1.36 0.00 0.00 55.97 56.31 2wr1 s LYS 472 Cb 0.03 -3.46 0.09 0.00 -1.68 0.00 0.00 37.83 32.81 2wr1 s LYS 472 CO 0.09 -0.05 0.04 0.00 -0.76 0.00 0.00 175.35 174.67 2wr1 n ASP 474 N 4.41 -0.01 -0.21 0.00 5.68 -1.26 -4.62 116.55 120.54 2wr1 n ASP 474 Ca 0.00 -1.34 0.04 0.00 -0.50 0.00 0.00 54.79 52.99 2wr1 n ASP 474 Cb 0.42 -0.76 0.30 0.00 -1.14 0.00 0.00 41.12 39.94 2wr1 n ASP 474 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wr1 h ASP 475 N -1.36 0.76 -0.45 -1.12 3.32 -1.99 0.13 116.42 115.72 2wr1 h ASP 475 Ca -0.32 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2wr1 h ASP 475 Cb 0.89 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2wr1 h ASP 475 CO 0.23 0.51 0.13 -0.08 -1.72 0.00 0.00 179.24 178.30 2wr1 h GLU 476 N 0.87 0.70 0.05 3.56 4.57 -1.99 -0.15 114.58 122.19 2wr1 h GLU 476 Ca 0.32 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2wr1 h GLU 476 Cb 0.15 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2wr1 h GLU 476 CO -0.10 0.69 -0.02 0.00 -1.18 0.00 0.00 179.01 178.39 2wr1 h MET 478 N -0.41 0.41 -0.56 0.00 2.86 -0.68 0.70 114.93 117.26 2wr1 h MET 478 Ca -0.01 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2wr1 h MET 478 Cb 0.37 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2wr1 h MET 478 CO 0.01 0.27 0.12 -0.97 1.06 0.00 0.00 176.91 177.40 2wr1 h ASN 479 N 0.42 0.82 -0.06 1.22 -0.73 -0.72 -1.77 115.58 114.76 2wr1 h ASN 479 Ca 0.55 -0.16 -0.10 0.00 1.87 0.00 0.00 56.30 58.46 2wr1 h ASN 479 Cb 1.01 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 2wr1 h ASN 479 CO -0.51 0.81 -0.27 0.77 -0.37 0.00 0.00 177.43 177.86 2wr1 h SER 480 N 0.84 0.51 0.28 1.15 4.64 -0.25 -1.52 113.55 119.19 2wr1 h SER 480 Ca 0.18 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wr1 h SER 480 Cb 0.33 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2wr1 h SER 480 CO 0.00 0.76 -0.13 0.58 -0.87 0.00 0.00 176.83 177.17 2wr1 h VAL 481 N 0.44 0.75 -0.96 0.95 2.07 -1.09 0.46 116.25 118.88 2wr1 h VAL 481 Ca 0.06 -0.19 0.18 0.00 0.82 0.00 0.00 66.70 67.57 2wr1 h VAL 481 Cb 0.70 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2wr1 h VAL 481 CO 0.05 0.04 0.61 0.11 0.02 0.00 0.00 177.57 178.40 2wr1 h LYS 482 N -0.47 0.64 -0.27 1.57 1.57 -1.03 -2.45 116.57 116.13 2wr1 h LYS 482 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wr1 h LYS 482 Cb 0.35 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wr1 h LYS 482 CO 0.06 0.42 0.00 0.27 -0.57 0.00 0.00 179.45 179.63 2wr1 n ASN 483 N -4.64 3.52 0.00 0.86 0.23 -0.60 -4.99 115.26 109.65 2wr1 n ASN 483 Ca 0.21 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 2wr1 n ASN 483 Cb 0.58 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 2wr1 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 484 N -0.23 0.47 0.30 4.83 0.00 -0.02 -4.93 105.19 105.61 2wr1 n GLY 484 Ca 0.18 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.38 2wr1 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr1 n THR 485 N -2.86 2.02 -1.66 2.61 -2.24 0.14 -5.01 114.28 107.28 2wr1 n THR 485 Ca 0.00 -2.45 -0.42 0.00 -2.27 0.00 0.00 64.05 58.91 2wr1 n THR 485 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2wr1 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr1 n TYR 486 N -1.27 1.78 -3.58 4.78 9.36 -0.95 -4.84 117.16 122.44 2wr1 n TYR 486 Ca 0.18 0.57 -0.38 0.00 3.32 0.00 0.00 57.90 61.59 2wr1 n TYR 486 Cb 0.69 -2.33 -0.06 0.00 -0.63 0.00 0.00 39.34 37.01 2wr1 n TYR 486 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2wr1 s ASP 487 N -0.51 6.09 0.17 2.98 -1.08 -1.26 -4.95 116.67 118.10 2wr1 s ASP 487 Ca 0.59 -3.42 -0.19 0.00 -0.52 0.00 0.00 52.55 49.02 2wr1 s ASP 487 Cb -0.58 -1.97 0.09 0.00 -1.46 0.00 0.00 42.92 39.01 2wr1 s ASP 487 CO 0.60 -0.28 1.64 0.22 0.52 0.00 0.00 175.17 177.87 2wr1 h TYR 488 N 6.50 -0.45 -1.00 -5.34 3.20 -1.91 -1.59 116.97 116.37 2wr1 h TYR 488 Ca 0.12 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.13 2wr1 h TYR 488 Cb 0.87 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 2wr1 h TYR 488 CO 0.76 -0.26 0.64 -1.35 -1.64 0.00 0.00 178.16 176.31 2wr1 h PRO 489 N -0.11 1.04 -0.94 1.82 0.11 -1.98 0.14 132.00 132.07 2wr1 h PRO 489 Ca 0.19 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.35 2wr1 h PRO 489 Cb 0.40 -0.23 -0.08 0.00 0.11 0.00 0.00 31.00 31.20 2wr1 h PRO 489 CO -0.46 0.69 0.58 -0.22 -0.21 0.00 0.00 178.00 178.37 2wr1 h LYS 490 N 1.07 0.90 -0.02 1.05 3.64 -1.71 -1.86 116.57 119.63 2wr1 h LYS 490 Ca 0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2wr1 h LYS 490 Cb 0.36 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wr1 h LYS 490 CO -0.23 0.60 -0.19 0.66 -2.27 0.00 0.00 179.45 178.02 2wr1 n TYR 491 N -4.66 0.00 -0.31 1.91 4.01 -0.97 -4.28 117.16 112.86 2wr1 n TYR 491 Ca 0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.89 2wr1 n TYR 491 Cb 0.33 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.46 2wr1 n TYR 491 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2wr1 h GLU 492 N 3.15 1.02 -5.30 -0.72 4.81 0.14 -2.01 114.58 115.67 2wr1 h GLU 492 Ca 0.00 -0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.54 2wr1 h GLU 492 Cb 0.76 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2wr1 h GLU 492 CO 0.00 0.67 2.22 0.39 -0.73 0.00 0.00 179.01 181.56 2wr1 n GLU 493 N -4.56 2.73 0.00 1.92 -0.58 -1.25 -2.86 120.64 116.04 2wr1 n GLU 493 Ca 0.10 -2.89 0.00 0.00 -0.42 0.00 0.00 57.16 53.95 2wr1 n GLU 493 Cb 0.09 -3.45 0.00 0.00 -0.57 0.00 0.00 31.44 27.51 2wr1 n GLU 493 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2wr1 n GLU 494 N 7.79 0.00 -1.85 3.49 2.13 -1.19 -5.10 120.64 125.91 2wr1 n GLU 494 Ca 0.49 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.89 2wr1 n GLU 494 Cb 0.44 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.12 2wr1 n GLU 494 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wr1 s SER 495 N 0.00 6.50 0.00 4.31 0.01 -0.76 -2.59 113.70 121.17 2wr1 s SER 495 Ca 0.00 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.00 2wr1 s SER 495 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2wr1 s SER 495 CO 0.00 -0.88 0.00 1.17 0.41 0.00 0.00 173.24 173.94 2wr1 n LYS 496 N 3.71 0.00 0.00 12.44 4.81 -0.89 -3.40 118.16 134.83 2wr1 n LYS 496 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2wr1 n LYS 496 Cb 0.37 -0.64 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2wr1 n LYS 496 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wr1 n ALA 497 N -1.17 0.00 1.61 3.14 0.00 -1.07 -5.11 120.51 117.91 2wr1 n ALA 497 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2wr1 n ALA 497 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 2wr1 n ALA 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50