#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr3 s ILE 7 N 0.00 3.31 -0.03 1.69 1.10 -0.89 0.14 121.20 126.52 2wr3 s ILE 7 Ca 0.00 -0.94 0.01 0.00 -0.51 0.00 0.00 60.65 59.21 2wr3 s ILE 7 Cb 0.00 -2.43 0.01 0.00 0.15 0.00 0.00 42.46 40.20 2wr3 s ILE 7 CO 0.00 0.37 -0.04 0.00 -2.11 0.00 0.00 174.94 173.16 2wr3 s ILE 9 N 0.56 5.19 0.27 0.00 -1.09 -0.74 -0.78 121.20 124.61 2wr3 s ILE 9 Ca -0.07 0.77 0.03 0.00 -2.23 0.00 0.00 60.65 59.16 2wr3 s ILE 9 Cb -0.10 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2wr3 s ILE 9 CO -0.00 0.26 0.11 0.61 -1.23 0.00 0.00 174.94 174.69 2wr3 n GLY 10 N 3.80 3.48 3.37 6.18 0.00 0.14 -4.90 105.19 117.26 2wr3 n GLY 10 Ca -0.08 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 2wr3 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr3 s TYR 11 N -2.64 -0.39 0.55 1.61 1.13 -1.26 -1.97 117.35 114.38 2wr3 s TYR 11 Ca 0.16 0.53 -0.21 0.00 -1.41 0.00 0.00 57.07 56.15 2wr3 s TYR 11 Cb 0.01 0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 41.09 2wr3 s TYR 11 CO 0.11 -0.56 1.29 -1.58 -2.51 0.00 0.00 175.55 172.31 2wr3 s HIS 12 N -1.85 2.39 0.08 -3.49 5.65 0.18 -1.07 115.29 117.17 2wr3 s HIS 12 Ca -0.09 1.44 -0.14 0.00 0.25 0.00 0.00 55.06 56.52 2wr3 s HIS 12 Cb -0.02 -3.65 0.02 0.00 -1.18 0.00 0.00 32.58 27.75 2wr3 s HIS 12 CO 0.03 -2.52 0.32 0.00 -0.65 0.00 0.00 174.74 171.91 2wr3 s ALA 13 N -1.41 -0.70 0.00 1.58 0.00 -1.24 -4.66 121.76 115.33 2wr3 s ALA 13 Ca 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2wr3 s ALA 13 Cb -0.36 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2wr3 s ALA 13 CO 0.42 -0.51 0.00 0.27 0.00 0.00 0.00 175.76 175.93 2wr3 n ASN 14 N 0.17 0.00 -1.48 0.00 0.23 -1.26 -4.31 115.26 108.60 2wr3 n ASN 14 Ca -0.17 -0.44 0.06 0.00 -0.53 0.00 0.00 54.58 53.50 2wr3 n ASN 14 Cb 0.62 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.62 2wr3 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr3 n ASN 15 N -0.40 4.38 -4.71 0.53 0.23 -1.26 -4.95 115.26 109.09 2wr3 n ASN 15 Ca 0.00 -2.56 -0.42 0.00 -0.53 0.00 0.00 54.58 51.07 2wr3 n ASN 15 Cb 0.00 -0.59 -0.03 0.00 -2.08 0.00 0.00 39.78 37.08 2wr3 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr3 s SER 16 N -0.71 6.83 -0.09 0.53 0.15 -1.26 -4.89 113.70 114.26 2wr3 s SER 16 Ca 0.42 2.27 0.17 0.00 0.70 0.00 0.00 55.95 59.52 2wr3 s SER 16 Cb 0.30 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.66 2wr3 s SER 16 CO 0.16 -0.67 1.54 0.35 1.20 0.00 0.00 173.24 175.83 2wr3 n THR 17 N 4.13 1.70 -2.13 6.45 -2.24 -1.26 -4.74 114.28 116.19 2wr3 n THR 17 Ca 0.12 -1.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 2wr3 n THR 17 Cb 0.43 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2wr3 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wr3 s GLU 18 N -1.77 4.31 -0.02 -0.78 2.56 -1.26 -4.91 118.70 116.83 2wr3 s GLU 18 Ca 0.46 2.13 0.07 0.00 0.00 0.00 0.00 54.97 57.63 2wr3 s GLU 18 Cb 0.29 -3.22 -0.02 0.00 2.00 0.00 0.00 34.13 33.18 2wr3 s GLU 18 CO 0.22 -0.44 -0.23 0.15 -0.56 0.00 0.00 175.26 174.41 2wr3 s LYS 19 N 0.86 2.17 0.22 4.30 -0.14 -1.26 -0.57 119.74 125.31 2wr3 s LYS 19 Ca 0.64 -0.89 0.04 0.00 -1.36 0.00 0.00 55.97 54.40 2wr3 s LYS 19 Cb -0.38 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 2wr3 s LYS 19 CO 0.32 0.57 -0.04 0.14 -0.76 0.00 0.00 175.35 175.58 2wr3 s VAL 20 N -0.68 1.21 0.20 3.17 -7.23 -0.56 -4.94 120.40 111.57 2wr3 s VAL 20 Ca 0.11 -2.07 0.10 0.00 -1.81 0.00 0.00 61.98 58.31 2wr3 s VAL 20 Cb -0.10 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2wr3 s VAL 20 CO 0.00 -0.42 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.45 2wr3 s ASP 21 N -3.30 4.16 0.29 4.85 1.01 -1.26 -1.24 116.67 121.18 2wr3 s ASP 21 Ca 0.26 -0.66 0.03 0.00 0.71 0.00 0.00 52.55 52.89 2wr3 s ASP 21 Cb 0.04 -0.65 -0.04 0.00 1.01 0.00 0.00 42.92 43.28 2wr3 s ASP 21 CO 0.07 0.08 0.15 0.42 0.21 0.00 0.00 175.17 176.11 2wr3 s THR 22 N -1.87 0.33 0.36 -1.27 -4.23 -0.22 -4.57 115.64 104.17 2wr3 s THR 22 Ca 0.26 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 2wr3 s THR 22 Cb -0.08 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.54 2wr3 s THR 22 CO 0.15 0.00 1.95 0.40 -0.54 0.00 0.00 174.62 176.58 2wr3 h ILE 23 N 2.25 0.99 0.05 2.99 1.08 -1.86 -3.29 117.51 119.72 2wr3 h ILE 23 Ca -0.34 -0.25 -0.35 0.00 -0.39 0.00 0.00 64.86 63.53 2wr3 h ILE 23 Cb 1.25 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 2wr3 h ILE 23 CO 0.53 0.13 -2.08 0.18 -0.69 0.00 0.00 178.15 176.22 2wr3 n LEU 24 N -4.49 1.84 -4.28 1.44 4.77 -1.26 -5.01 117.00 110.02 2wr3 n LEU 24 Ca 0.11 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 2wr3 n LEU 24 Cb 0.27 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 2wr3 n LEU 24 CO 0.33 0.69 -0.31 -1.61 -1.33 0.00 0.00 177.39 175.17 2wr3 s GLU 25 N -2.55 1.24 0.24 3.23 2.02 -1.24 -5.16 118.70 116.47 2wr3 s GLU 25 Ca -0.18 -1.63 0.11 0.00 0.02 0.00 0.00 54.97 53.29 2wr3 s GLU 25 Cb 0.07 -0.31 -0.05 0.00 0.10 0.00 0.00 34.13 33.95 2wr3 s GLU 25 CO 0.76 -0.18 -0.16 1.03 0.02 0.00 0.00 175.26 176.73 2wr3 s ARG 26 N -3.95 1.80 -1.56 1.61 1.81 -1.26 -1.06 118.95 116.34 2wr3 s ARG 26 Ca 0.29 -1.57 -0.12 0.00 -1.72 0.00 0.00 55.73 52.61 2wr3 s ARG 26 Cb 0.07 -1.92 0.09 0.00 -0.45 0.00 0.00 34.95 32.74 2wr3 s ARG 26 CO 0.08 0.37 0.78 0.09 -0.68 0.00 0.00 175.30 175.94 2wr3 n ASN 27 N -0.33 -3.09 -4.67 0.23 4.13 -1.15 -4.89 115.26 105.51 2wr3 n ASN 27 Ca -0.08 -0.92 -0.43 0.00 1.68 0.00 0.00 54.58 54.83 2wr3 n ASN 27 Cb 0.58 -3.30 -0.02 0.00 -1.54 0.00 0.00 39.78 35.50 2wr3 n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wr3 s VAL 28 N -3.45 4.53 0.20 2.41 1.01 -0.37 -4.85 120.40 119.88 2wr3 s VAL 28 Ca 0.52 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 2wr3 s VAL 28 Cb -0.27 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2wr3 s VAL 28 CO 0.88 -0.12 1.30 -0.89 0.00 0.00 0.00 175.10 176.26 2wr3 s THR 29 N 3.00 3.24 0.14 3.92 2.01 -1.26 -1.50 115.64 125.19 2wr3 s THR 29 Ca 0.49 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.58 2wr3 s THR 29 Cb -0.18 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2wr3 s THR 29 CO 0.12 0.16 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.37 2wr3 s VAL 30 N 0.06 1.44 -0.02 3.82 1.01 0.26 -2.18 120.40 124.79 2wr3 s VAL 30 Ca 0.56 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 2wr3 s VAL 30 Cb -0.36 -1.66 -0.18 0.00 0.00 0.00 0.00 36.38 34.18 2wr3 s VAL 30 CO 0.38 -0.45 1.15 0.74 0.00 0.00 0.00 175.10 176.92 2wr3 h THR 31 N 3.31 1.01 -3.98 3.92 2.02 -0.76 -3.38 112.91 115.05 2wr3 h THR 31 Ca -0.40 -0.95 -0.22 0.00 0.77 0.00 0.00 66.41 65.61 2wr3 h THR 31 Cb 1.20 1.57 -0.21 0.00 -1.74 0.00 0.00 68.15 68.97 2wr3 h THR 31 CO 0.53 0.21 -0.71 -1.00 0.37 0.00 0.00 175.52 174.92 2wr3 s HIS 32 N -4.17 0.48 0.03 3.16 3.76 -1.26 -4.75 115.29 112.53 2wr3 s HIS 32 Ca -0.14 -0.55 -0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2wr3 s HIS 32 Cb 0.02 -0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.37 2wr3 s HIS 32 CO 0.58 -0.15 -0.03 0.00 -0.85 0.00 0.00 174.74 174.29 2wr3 s ALA 33 N -1.61 0.25 -0.08 -1.40 0.00 -1.26 -0.76 121.76 116.90 2wr3 s ALA 33 Ca -0.11 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2wr3 s ALA 33 Cb -0.09 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2wr3 s ALA 33 CO -0.01 -0.23 -0.18 0.21 0.00 0.00 0.00 175.76 175.55 2wr3 s LYS 34 N -2.30 2.33 -0.01 0.00 2.20 -0.12 -4.90 119.74 116.94 2wr3 s LYS 34 Ca -0.08 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.63 2wr3 s LYS 34 Cb -0.04 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 2wr3 s LYS 34 CO -0.04 0.09 0.82 0.34 -0.36 0.00 0.00 175.35 176.21 2wr3 s ASP 35 N 0.53 7.20 -0.12 1.43 2.15 -1.26 -1.06 116.67 125.54 2wr3 s ASP 35 Ca -0.16 1.44 0.15 0.00 0.43 0.00 0.00 52.55 54.41 2wr3 s ASP 35 Cb -0.17 -2.49 0.48 0.00 -0.30 0.00 0.00 42.92 40.44 2wr3 s ASP 35 CO 0.06 -0.13 1.39 2.30 -0.17 0.00 0.00 175.17 178.62 2wr3 n ILE 36 N 3.53 1.87 -4.11 4.11 -5.35 -0.67 -4.93 119.36 113.80 2wr3 n ILE 36 Ca 0.01 -1.54 -0.35 0.00 -0.27 0.00 0.00 62.75 60.60 2wr3 n ILE 36 Cb 0.51 0.01 -0.13 0.00 -1.74 0.00 0.00 39.64 38.28 2wr3 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr3 s LEU 37 N -2.19 3.06 -0.13 7.28 2.96 -1.26 -3.58 118.68 124.83 2wr3 s LEU 37 Ca 0.37 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 2wr3 s LEU 37 Cb 0.27 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 2wr3 s LEU 37 CO 0.12 0.05 0.58 -0.70 -1.32 0.00 0.00 176.35 175.08 2wr3 s GLU 38 N 1.06 4.31 0.00 1.98 2.56 0.25 -4.91 118.70 123.96 2wr3 s GLU 38 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.58 2wr3 s GLU 38 Cb -0.15 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.49 2wr3 s GLU 38 CO 0.01 -0.01 0.23 0.36 -0.56 0.00 0.00 175.26 175.29 2wr3 n LYS 39 N 4.19 -0.03 -3.60 4.30 2.85 -1.26 -2.34 118.16 122.27 2wr3 n LYS 39 Ca -0.04 -0.26 -0.37 0.00 -1.05 0.00 0.00 58.31 56.59 2wr3 n LYS 39 Cb 0.51 -0.62 -0.06 0.00 -0.65 0.00 0.00 35.03 34.21 2wr3 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr3 s THR 40 N -0.05 5.15 0.08 0.58 -4.23 -1.26 -4.87 115.64 111.04 2wr3 s THR 40 Ca 0.00 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.18 2wr3 s THR 40 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 2wr3 s THR 40 CO 0.00 0.56 -0.07 -1.38 -0.54 0.00 0.00 174.62 173.19 2wr3 s HIS 41 N -1.10 0.81 -2.07 3.99 -3.43 -1.26 -4.75 115.29 107.48 2wr3 s HIS 41 Ca 0.23 -0.79 0.13 0.00 -0.80 0.00 0.00 55.06 53.82 2wr3 s HIS 41 Cb -0.15 -0.48 0.44 0.00 -1.43 0.00 0.00 32.58 30.96 2wr3 s HIS 41 CO 0.12 -0.14 1.33 0.27 -2.00 0.00 0.00 174.74 174.33 2wr3 n ASN 42 N 0.43 1.43 0.00 7.38 0.23 -0.83 -4.90 115.26 119.01 2wr3 n ASN 42 Ca -0.16 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 2wr3 n ASN 42 Cb 0.59 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2wr3 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr3 n GLY 43 N 0.98 0.35 3.91 4.83 0.00 -1.25 -4.81 105.19 109.19 2wr3 n GLY 43 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2wr3 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr3 s LYS 44 N -0.54 3.59 -0.20 1.61 1.02 -1.26 -4.63 119.74 119.34 2wr3 s LYS 44 Ca 0.00 -0.15 -0.15 0.00 0.02 0.00 0.00 55.97 55.69 2wr3 s LYS 44 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2wr3 s LYS 44 CO 0.00 0.41 0.37 -1.17 -0.92 0.00 0.00 175.35 174.05 2wr3 s LEU 45 N -2.98 4.17 0.43 3.17 1.98 -1.26 -2.37 118.68 121.82 2wr3 s LEU 45 Ca 0.41 0.50 0.03 0.00 -2.89 0.00 0.00 54.13 52.18 2wr3 s LEU 45 Cb -0.12 -2.48 -0.04 0.00 0.66 0.00 0.00 46.19 44.22 2wr3 s LEU 45 CO 0.27 -0.04 0.04 0.00 -1.89 0.00 0.00 176.35 174.72 2wr3 s ARG 47 N -3.80 3.77 -0.48 0.00 1.70 -1.26 -4.60 118.95 114.28 2wr3 s ARG 47 Ca 0.21 0.22 -0.09 0.00 -0.47 0.00 0.00 55.73 55.61 2wr3 s ARG 47 Cb 0.05 -2.65 0.12 0.00 -0.57 0.00 0.00 34.95 31.90 2wr3 s ARG 47 CO 0.11 0.29 0.35 -1.17 -1.08 0.00 0.00 175.30 173.81 2wr3 s LEU 48 N -2.96 5.71 -1.25 -1.89 2.96 0.27 -2.30 118.68 119.21 2wr3 s LEU 48 Ca 0.47 -1.95 -0.02 0.00 -0.22 0.00 0.00 54.13 52.40 2wr3 s LEU 48 Cb -0.11 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2wr3 s LEU 48 CO 0.23 -0.68 1.00 -1.20 -1.32 0.00 0.00 176.35 174.38 2wr3 n SER 49 N 4.85 -2.83 0.00 3.68 7.64 -0.88 -2.65 113.62 123.45 2wr3 n SER 49 Ca -0.07 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2wr3 n SER 49 Cb 0.41 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 2wr3 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr3 n GLY 50 N -1.36 3.07 3.49 0.23 0.00 -1.26 -5.05 105.19 104.30 2wr3 n GLY 50 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2wr3 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr3 s ILE 51 N -2.89 3.53 0.88 -0.61 1.01 -1.08 -5.05 121.20 116.99 2wr3 s ILE 51 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2wr3 s ILE 51 Cb 0.00 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 40.10 2wr3 s ILE 51 CO 0.00 0.54 1.12 -2.84 0.00 0.00 0.00 174.94 173.76 2wr3 s PRO 52 N -0.09 1.43 0.25 2.79 0.02 -1.26 0.94 135.00 139.07 2wr3 s PRO 52 Ca 0.00 0.45 -0.17 0.00 0.02 0.00 0.00 61.00 61.31 2wr3 s PRO 52 Cb -0.13 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 2wr3 s PRO 52 CO 0.03 -2.04 0.70 -1.25 -0.33 0.00 0.00 177.00 174.11 2wr3 s PRO 53 N -5.20 4.12 -0.02 5.54 0.05 -1.26 0.62 135.00 138.85 2wr3 s PRO 53 Ca 0.63 0.73 -0.30 0.00 0.05 0.00 0.00 61.00 62.11 2wr3 s PRO 53 Cb -0.15 -2.73 -0.06 0.00 0.05 0.00 0.00 34.50 31.61 2wr3 s PRO 53 CO 0.54 0.32 1.61 -1.17 0.05 0.00 0.00 177.00 178.35 2wr3 s LEU 54 N -2.34 4.33 -0.39 -3.56 2.96 0.16 -4.89 118.68 114.95 2wr3 s LEU 54 Ca 0.46 2.26 -0.08 0.00 -0.22 0.00 0.00 54.13 56.56 2wr3 s LEU 54 Cb -0.14 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.07 2wr3 s LEU 54 CO 0.20 -0.89 0.19 -1.61 -1.32 0.00 0.00 176.35 172.92 2wr3 s GLU 55 N 3.50 2.56 0.00 1.98 2.02 -1.26 -1.16 118.70 126.34 2wr3 s GLU 55 Ca 0.72 -1.38 0.21 0.00 0.02 0.00 0.00 54.97 54.54 2wr3 s GLU 55 Cb -0.34 -3.64 1.22 0.00 0.10 0.00 0.00 34.13 31.47 2wr3 s GLU 55 CO 0.29 -0.85 1.79 1.28 0.02 0.00 0.00 175.26 177.80 2wr3 n LEU 56 N 4.85 0.05 0.00 1.80 4.77 -0.51 -4.97 117.00 122.99 2wr3 n LEU 56 Ca -0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2wr3 n LEU 56 Cb 0.43 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2wr3 n LEU 56 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2wr3 n GLY 57 N 0.83 3.37 2.30 -0.72 0.00 -1.26 -0.06 105.19 109.65 2wr3 n GLY 57 Ca 0.16 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2wr3 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr3 n ASP 58 N 5.04 5.25 -4.98 1.61 5.75 -1.26 -4.25 116.55 123.71 2wr3 n ASP 58 Ca 0.00 -3.75 -0.20 0.00 -0.01 0.00 0.00 54.79 50.83 2wr3 n ASP 58 Cb 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 39.61 2wr3 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr3 s SER 60 N -4.29 5.36 0.19 0.00 1.04 -0.95 -4.72 113.70 110.32 2wr3 s SER 60 Ca 0.51 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.39 2wr3 s SER 60 Cb -0.10 -1.10 0.16 0.00 0.10 0.00 0.00 66.02 65.08 2wr3 s SER 60 CO 0.36 -0.26 1.79 0.40 0.98 0.00 0.00 173.24 176.50 2wr3 h ILE 61 N 1.32 0.95 -0.27 -1.02 2.04 -1.97 -0.63 117.51 117.93 2wr3 h ILE 61 Ca -0.46 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.29 2wr3 h ILE 61 Cb 1.25 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2wr3 h ILE 61 CO 0.59 0.10 -0.15 0.00 0.00 0.00 0.00 178.15 178.68 2wr3 h ALA 62 N 1.29 0.05 -0.58 1.87 0.00 -1.96 0.63 119.26 120.56 2wr3 h ALA 62 Ca 0.24 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2wr3 h ALA 62 Cb 0.15 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2wr3 h ALA 62 CO -0.17 -0.56 0.19 0.78 0.00 0.00 0.00 179.25 179.50 2wr3 h GLY 63 N -0.13 0.79 0.86 0.00 0.00 -1.58 -1.86 103.07 101.15 2wr3 h GLY 63 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2wr3 h GLY 63 CO -0.35 -0.03 0.01 -0.25 0.00 0.00 0.00 176.54 175.91 2wr3 h TRP 64 N 0.36 0.51 -0.15 5.60 7.01 -0.19 -1.00 115.95 128.10 2wr3 h TRP 64 Ca 0.29 -0.09 -0.12 0.00 2.11 0.00 0.00 58.89 61.08 2wr3 h TRP 64 Cb 0.37 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2wr3 h TRP 64 CO -0.18 0.62 -0.44 -0.07 -2.79 0.00 0.00 178.44 175.58 2wr3 h LEU 65 N 0.26 0.38 -0.12 0.65 3.38 -0.71 -3.00 115.31 116.14 2wr3 h LEU 65 Ca 0.08 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2wr3 h LEU 65 Cb 0.41 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wr3 h LEU 65 CO 0.01 0.77 -0.77 -0.07 0.09 0.00 0.00 178.44 178.47 2wr3 h LEU 66 N 0.29 0.00 -0.91 1.67 3.38 -1.34 -3.46 115.31 114.95 2wr3 h LEU 66 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wr3 h LEU 66 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2wr3 h LEU 66 CO 0.07 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.98 2wr3 n GLY 67 N 1.15 0.60 3.67 0.83 0.00 -0.86 -1.67 105.19 108.91 2wr3 n GLY 67 Ca 0.01 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.29 2wr3 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr3 n ASN 68 N -0.19 3.11 0.30 1.61 2.85 -0.43 0.10 115.26 122.61 2wr3 n ASN 68 Ca 0.00 1.09 0.14 0.00 -0.11 0.00 0.00 54.58 55.70 2wr3 n ASN 68 Cb 0.26 -1.44 0.69 0.00 1.24 0.00 0.00 39.78 40.54 2wr3 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr3 h PRO 69 N 5.76 0.00 -0.82 1.20 0.11 -1.91 -0.80 132.00 135.54 2wr3 h PRO 69 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2wr3 h PRO 69 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wr3 h PRO 69 CO 0.88 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 179.06 2wr3 n GLU 70 N -2.92 2.68 0.00 1.05 -0.58 -1.26 -3.60 120.64 116.01 2wr3 n GLU 70 Ca -0.00 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 2wr3 n GLU 70 Cb 0.51 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2wr3 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr3 h ASP 72 N 0.00 0.09 -1.25 0.00 3.45 -1.69 -2.90 116.42 114.12 2wr3 h ASP 72 Ca 0.00 0.08 -0.61 0.00 0.43 0.00 0.00 57.03 56.93 2wr3 h ASP 72 Cb 0.66 0.09 -0.18 0.00 -0.56 0.00 0.00 39.33 39.34 2wr3 h ASP 72 CO 0.00 0.07 1.00 0.54 -1.57 0.00 0.00 179.24 179.28 2wr3 n ARG 73 N -5.06 3.15 -0.00 3.56 1.74 -1.26 -4.62 116.66 114.16 2wr3 n ARG 73 Ca 0.06 -2.88 0.09 0.00 -0.77 0.00 0.00 57.85 54.35 2wr3 n ARG 73 Cb 0.23 -2.30 -0.12 0.00 -1.02 0.00 0.00 32.46 29.25 2wr3 n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wr3 n LEU 74 N 0.88 0.33 -2.69 0.55 -0.00 -1.10 -5.07 117.00 109.91 2wr3 n LEU 74 Ca 0.53 -0.20 -0.02 0.00 -0.00 0.00 0.00 56.01 56.32 2wr3 n LEU 74 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 2wr3 n LEU 74 CO 0.45 0.08 -0.55 -0.11 -0.00 0.00 0.00 177.39 177.26 2wr3 n LEU 75 N -1.85 -7.50 -4.49 -1.96 7.94 -1.26 -4.93 117.00 102.95 2wr3 n LEU 75 Ca -0.01 1.71 -0.36 0.00 -1.11 0.00 0.00 56.01 56.24 2wr3 n LEU 75 Cb 0.39 -3.35 -0.12 0.00 0.53 0.00 0.00 43.42 40.88 2wr3 n LEU 75 CO 0.37 -3.49 -0.27 -0.55 -1.11 0.00 0.00 177.39 172.34 2wr3 s SER 76 N -1.36 5.28 0.65 1.96 0.15 -1.26 -4.81 113.70 114.31 2wr3 s SER 76 Ca -0.09 -0.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 2wr3 s SER 76 Cb 0.01 -1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2wr3 s SER 76 CO 0.79 0.01 1.04 0.68 1.20 0.00 0.00 173.24 176.96 2wr3 s VAL 77 N 1.35 4.04 -0.96 4.45 -7.23 -1.26 -4.99 120.40 115.80 2wr3 s VAL 77 Ca 0.05 0.57 0.25 0.00 -1.81 0.00 0.00 61.98 61.04 2wr3 s VAL 77 Cb -0.15 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.16 2wr3 s VAL 77 CO 0.04 -0.82 1.41 -2.65 -0.31 0.00 0.00 175.10 172.76 2wr3 n PRO 78 N -2.83 0.03 0.02 4.82 -0.02 -1.26 -4.76 135.00 131.00 2wr3 n PRO 78 Ca 0.06 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2wr3 n PRO 78 Cb 0.56 -1.52 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2wr3 n PRO 78 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wr3 n GLU 79 N -1.56 0.04 -0.93 -0.52 2.13 -1.26 -1.66 120.64 116.88 2wr3 n GLU 79 Ca 0.05 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2wr3 n GLU 79 Cb 0.35 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.61 2wr3 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr3 n TRP 80 N -3.29 0.00 0.04 4.31 2.14 -1.26 -3.73 117.44 115.65 2wr3 n TRP 80 Ca -0.01 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.60 2wr3 n TRP 80 Cb 0.04 -0.46 -0.07 0.00 -0.81 0.00 0.00 31.31 30.01 2wr3 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr3 n SER 81 N -0.92 2.69 -3.75 -0.67 3.41 0.20 -2.90 113.62 111.69 2wr3 n SER 81 Ca 0.00 -0.08 -0.07 0.00 -0.26 0.00 0.00 58.87 58.46 2wr3 n SER 81 Cb 0.00 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.29 2wr3 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr3 s TYR 82 N -2.53 -0.12 -0.04 7.33 -0.85 -1.25 -4.62 117.35 115.28 2wr3 s TYR 82 Ca -0.03 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.19 2wr3 s TYR 82 Cb 0.06 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 43.06 2wr3 s TYR 82 CO 0.37 -1.27 -0.10 0.42 -1.52 0.00 0.00 175.55 173.45 2wr3 s ILE 83 N -3.73 3.42 -0.23 -3.49 1.01 -1.06 -0.67 121.20 116.45 2wr3 s ILE 83 Ca 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2wr3 s ILE 83 Cb -0.06 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.01 2wr3 s ILE 83 CO 0.08 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.80 2wr3 s VAL 84 N -0.84 3.16 0.05 2.92 1.01 -0.31 0.59 120.40 126.98 2wr3 s VAL 84 Ca 0.13 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wr3 s VAL 84 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2wr3 s VAL 84 CO 0.03 0.34 -0.11 -0.70 0.00 0.00 0.00 175.10 174.66 2wr3 s GLU 85 N 1.42 0.66 0.48 2.72 2.12 -1.06 -1.42 118.70 123.62 2wr3 s GLU 85 Ca 0.04 -0.83 -0.20 0.00 0.36 0.00 0.00 54.97 54.34 2wr3 s GLU 85 Cb -0.15 -0.54 -0.09 0.00 0.26 0.00 0.00 34.13 33.61 2wr3 s GLU 85 CO -0.04 0.11 1.02 0.15 -0.54 0.00 0.00 175.26 175.97 2wr3 s LYS 86 N -1.61 3.86 0.24 4.30 1.02 -1.26 -2.21 119.74 124.09 2wr3 s LYS 86 Ca -0.06 1.31 0.09 0.00 0.02 0.00 0.00 55.97 57.34 2wr3 s LYS 86 Cb -0.10 -2.11 0.51 0.00 -0.52 0.00 0.00 37.83 35.62 2wr3 s LYS 86 CO 0.01 -0.37 1.16 -1.91 -0.92 0.00 0.00 175.35 173.31 2wr3 n GLU 87 N -0.95 0.07 -2.82 1.68 4.07 -1.26 -3.94 120.64 117.49 2wr3 n GLU 87 Ca 0.09 0.50 -0.03 0.00 -0.06 0.00 0.00 57.16 57.66 2wr3 n GLU 87 Cb 0.53 -2.00 0.01 0.00 -0.06 0.00 0.00 31.44 29.92 2wr3 n GLU 87 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2wr3 s ASN 88 N -3.18 -1.12 0.45 4.31 3.84 -1.26 -5.12 114.94 112.87 2wr3 s ASN 88 Ca -0.01 -1.14 -0.20 0.00 0.21 0.00 0.00 52.86 51.72 2wr3 s ASN 88 Cb 0.03 1.46 -0.10 0.00 -0.55 0.00 0.00 41.25 42.08 2wr3 s ASN 88 CO 0.09 -0.06 0.98 -2.84 -2.79 0.00 0.00 177.10 172.47 2wr3 s PRO 89 N 1.15 4.09 0.13 0.43 0.02 -1.25 -4.97 135.00 134.59 2wr3 s PRO 89 Ca 0.25 1.17 0.24 0.00 0.02 0.00 0.00 61.00 62.68 2wr3 s PRO 89 Cb 0.02 -2.15 0.34 0.00 0.02 0.00 0.00 34.50 32.73 2wr3 s PRO 89 CO -0.07 -0.16 1.32 1.79 -0.33 0.00 0.00 177.00 179.54 2wr3 h THR 90 N 1.72 0.00 -3.14 0.99 1.35 -1.86 -3.43 112.91 108.52 2wr3 h THR 90 Ca -0.49 -0.52 -0.62 0.00 -0.55 0.00 0.00 66.41 64.23 2wr3 h THR 90 Cb 1.19 1.11 -0.41 0.00 -1.73 0.00 0.00 68.15 68.32 2wr3 h THR 90 CO 0.60 0.00 -0.67 0.20 -0.25 0.00 0.00 175.52 175.40 2wr3 s ASN 91 N -4.31 4.04 0.00 5.36 0.01 -1.06 -5.01 114.94 113.96 2wr3 s ASN 91 Ca 0.06 -3.03 0.00 0.00 -0.71 0.00 0.00 52.86 49.18 2wr3 s ASN 91 Cb 0.13 -1.37 0.00 0.00 0.41 0.00 0.00 41.25 40.42 2wr3 s ASN 91 CO 0.72 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.71 2wr3 n GLY 92 N 3.05 2.13 3.58 0.66 0.00 -1.26 -2.23 105.19 111.11 2wr3 n GLY 92 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2wr3 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr3 s LEU 93 N 0.00 2.80 0.34 0.99 1.43 -1.26 -4.41 118.68 118.57 2wr3 s LEU 93 Ca 0.00 -1.22 0.07 0.00 -1.03 0.00 0.00 54.13 51.95 2wr3 s LEU 93 Cb 0.00 -2.59 0.77 0.00 0.03 0.00 0.00 46.19 44.40 2wr3 s LEU 93 CO 0.00 -3.71 1.87 0.00 0.23 0.00 0.00 176.35 174.74 2wr3 s TYR 95 N -5.73 3.50 0.49 0.00 5.04 -1.26 -4.65 117.35 114.75 2wr3 s TYR 95 Ca -0.10 0.69 -0.22 0.00 -2.44 0.00 0.00 57.07 55.00 2wr3 s TYR 95 Cb 0.22 -2.36 -0.07 0.00 0.35 0.00 0.00 41.96 40.10 2wr3 s TYR 95 CO 0.79 0.29 1.21 -1.25 -1.34 0.00 0.00 175.55 175.25 2wr3 s PRO 96 N 0.27 3.56 0.00 4.97 0.04 -1.25 -4.77 135.00 137.82 2wr3 s PRO 96 Ca 0.19 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2wr3 s PRO 96 Cb -0.14 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2wr3 s PRO 96 CO 0.06 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2wr3 n GLY 97 N 0.49 -0.71 3.52 0.56 0.00 -1.26 -0.30 105.19 107.50 2wr3 n GLY 97 Ca 0.09 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2wr3 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr3 s SER 98 N -4.00 2.81 -0.23 1.61 1.04 -0.93 -4.94 113.70 109.05 2wr3 s SER 98 Ca 0.00 -1.51 -0.02 0.00 0.48 0.00 0.00 55.95 54.90 2wr3 s SER 98 Cb 0.00 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.36 2wr3 s SER 98 CO 0.00 -0.74 0.04 0.12 0.98 0.00 0.00 173.24 173.64 2wr3 s PHE 99 N -3.18 1.41 0.24 5.02 5.36 -1.26 -1.95 117.98 123.61 2wr3 s PHE 99 Ca 0.29 -1.23 -0.31 0.00 -0.96 0.00 0.00 56.93 54.71 2wr3 s PHE 99 Cb 0.06 -1.29 -0.13 0.00 -0.34 0.00 0.00 43.02 41.31 2wr3 s PHE 99 CO 0.14 -0.71 1.46 0.09 -1.46 0.00 0.00 175.22 174.74 2wr3 n ASN 100 N 4.94 2.97 -3.69 6.13 3.02 -0.22 -2.80 115.26 125.60 2wr3 n ASN 100 Ca -0.08 1.13 -0.21 0.00 -0.03 0.00 0.00 54.58 55.40 2wr3 n ASN 100 Cb 0.45 -1.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.20 2wr3 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr3 n ASP 101 N 2.33 -1.20 -0.04 6.41 8.00 -1.26 -4.72 116.55 126.07 2wr3 n ASP 101 Ca 0.12 -0.82 -0.13 0.00 0.71 0.00 0.00 54.79 54.67 2wr3 n ASP 101 Cb 0.32 -4.08 -0.08 0.00 -0.02 0.00 0.00 41.12 37.26 2wr3 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr3 h TYR 102 N -1.86 0.25 -0.95 1.24 3.20 -1.93 -2.65 116.97 114.26 2wr3 h TYR 102 Ca -0.61 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.20 2wr3 h TYR 102 Cb 1.36 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2wr3 h TYR 102 CO 0.46 0.60 0.63 0.93 -1.64 0.00 0.00 178.16 179.14 2wr3 h GLU 103 N -0.17 1.24 -0.93 1.82 3.07 -1.90 -1.18 114.58 116.52 2wr3 h GLU 103 Ca 0.02 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2wr3 h GLU 103 Cb 0.54 -0.28 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 2wr3 h GLU 103 CO 0.02 0.82 0.59 0.93 -1.40 0.00 0.00 179.01 179.97 2wr3 h GLU 104 N 1.28 1.07 -0.10 2.33 4.39 -1.93 -1.06 114.58 120.55 2wr3 h GLU 104 Ca 0.35 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 2wr3 h GLU 104 Cb -0.14 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.27 2wr3 h GLU 104 CO -0.08 0.71 0.02 1.25 -1.16 0.00 0.00 179.01 179.74 2wr3 h LEU 105 N 1.10 0.16 -1.24 1.33 5.85 -0.88 -2.08 115.31 119.56 2wr3 h LEU 105 Ca 0.40 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2wr3 h LEU 105 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2wr3 h LEU 105 CO -0.16 0.38 0.07 0.11 -0.34 0.00 0.00 178.44 178.50 2wr3 h LYS 106 N -0.06 0.59 -0.13 1.25 1.57 -1.10 -1.95 116.57 116.74 2wr3 h LYS 106 Ca 0.03 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2wr3 h LYS 106 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wr3 h LYS 106 CO 0.00 0.57 -0.38 1.25 -0.57 0.00 0.00 179.45 180.32 2wr3 h HIS 107 N 0.58 0.31 -0.21 -1.35 2.76 -1.05 -1.95 115.15 114.24 2wr3 h HIS 107 Ca 0.13 -0.08 -0.13 0.00 -2.20 0.00 0.00 60.37 58.09 2wr3 h HIS 107 Cb 0.26 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2wr3 h HIS 107 CO 0.01 0.62 -0.41 1.25 -1.30 0.00 0.00 177.93 178.10 2wr3 h LEU 108 N 0.23 0.53 -1.20 0.26 7.12 -0.64 -3.09 115.31 118.51 2wr3 h LEU 108 Ca 0.02 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2wr3 h LEU 108 Cb 0.78 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2wr3 h LEU 108 CO 0.06 0.88 0.00 0.18 -0.13 0.00 0.00 178.44 179.43 2wr3 n LEU 109 N -4.03 1.81 -0.19 2.25 4.77 -0.94 -4.40 117.00 116.28 2wr3 n LEU 109 Ca -0.02 -0.74 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 2wr3 n LEU 109 Cb 0.51 -0.10 0.41 0.00 -2.33 0.00 0.00 43.42 41.91 2wr3 n LEU 109 CO 0.44 0.37 1.21 0.00 -1.33 0.00 0.00 177.39 178.09 2wr3 h THR 110 N 2.46 0.91 -2.58 -5.08 1.03 -1.28 -3.43 112.91 104.95 2wr3 h THR 110 Ca 0.00 -0.22 -0.10 0.00 -0.01 0.00 0.00 66.41 66.08 2wr3 h THR 110 Cb 0.54 0.23 -0.24 0.00 -1.07 0.00 0.00 68.15 67.61 2wr3 h THR 110 CO 0.00 0.11 -0.17 -0.55 -0.01 0.00 0.00 175.52 174.91 2wr3 s SER 111 N -6.05 -0.51 0.02 0.00 0.15 -1.26 -3.75 113.70 102.31 2wr3 s SER 111 Ca -0.09 0.96 -0.08 0.00 0.70 0.00 0.00 55.95 57.45 2wr3 s SER 111 Cb 0.20 0.96 -0.00 0.00 -1.71 0.00 0.00 66.02 65.47 2wr3 s SER 111 CO 0.77 -0.17 0.15 -0.69 1.20 0.00 0.00 173.24 174.50 2wr3 s VAL 112 N 0.39 0.11 0.02 4.45 1.01 -1.14 -4.84 120.40 120.39 2wr3 s VAL 112 Ca -0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2wr3 s VAL 112 Cb -0.04 -0.73 -0.16 0.00 0.00 0.00 0.00 36.38 35.46 2wr3 s VAL 112 CO -0.01 -0.48 1.18 0.71 0.00 0.00 0.00 175.10 176.50 2wr3 h THR 113 N 3.82 0.16 -1.56 3.92 1.35 0.17 -3.41 112.91 117.36 2wr3 h THR 113 Ca -0.32 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2wr3 h THR 113 Cb 1.19 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2wr3 h THR 113 CO 0.46 0.02 0.00 1.57 -0.25 0.00 0.00 175.52 177.32 2wr3 n HIS 114 N -5.37 0.00 -3.15 4.73 -0.00 -0.91 -4.62 115.22 105.90 2wr3 n HIS 114 Ca -0.12 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.65 2wr3 n HIS 114 Cb 0.36 -1.16 -0.01 0.00 -0.00 0.00 0.00 29.99 29.17 2wr3 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr3 s PHE 115 N 0.00 -0.78 0.11 1.57 2.19 -0.66 -1.83 117.98 118.58 2wr3 s PHE 115 Ca 0.00 0.73 0.05 0.00 0.33 0.00 0.00 56.93 58.04 2wr3 s PHE 115 Cb 0.00 0.24 -0.04 0.00 -1.31 0.00 0.00 43.02 41.91 2wr3 s PHE 115 CO 0.00 -0.44 -0.12 -1.83 1.83 0.00 0.00 175.22 174.67 2wr3 s GLU 116 N 2.93 0.94 -0.26 10.12 -1.05 -0.54 -4.64 118.70 126.20 2wr3 s GLU 116 Ca 0.08 -1.22 -0.13 0.00 -0.15 0.00 0.00 54.97 53.55 2wr3 s GLU 116 Cb -0.09 -0.69 -0.04 0.00 -0.44 0.00 0.00 34.13 32.86 2wr3 s GLU 116 CO -0.16 0.12 0.27 0.21 0.95 0.00 0.00 175.26 176.65 2wr3 s LYS 117 N -2.85 4.02 0.15 -4.83 2.20 -1.26 -0.47 119.74 116.70 2wr3 s LYS 117 Ca 0.08 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.62 2wr3 s LYS 117 Cb -0.03 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2wr3 s LYS 117 CO 0.01 -0.14 0.04 0.42 -0.36 0.00 0.00 175.35 175.33 2wr3 s ILE 118 N 1.65 4.05 -0.54 5.43 -1.09 0.40 -4.96 121.20 126.15 2wr3 s ILE 118 Ca 0.11 -1.20 -0.19 0.00 -2.23 0.00 0.00 60.65 57.14 2wr3 s ILE 118 Cb -0.15 -3.02 0.08 0.00 -1.58 0.00 0.00 42.46 37.78 2wr3 s ILE 118 CO 0.09 -0.05 0.66 -0.75 -1.23 0.00 0.00 174.94 173.66 2wr3 s LYS 119 N -2.83 3.09 -0.09 2.79 2.20 -1.26 -0.81 119.74 122.82 2wr3 s LYS 119 Ca 0.28 -1.06 0.16 0.00 -0.36 0.00 0.00 55.97 54.99 2wr3 s LYS 119 Cb -0.10 -4.17 -0.23 0.00 -1.51 0.00 0.00 37.83 31.82 2wr3 s LYS 119 CO 0.20 -1.36 0.42 0.44 -0.36 0.00 0.00 175.35 174.69 2wr3 n ILE 120 N 5.60 1.35 -3.34 5.43 -5.35 -0.47 -4.77 119.36 117.81 2wr3 n ILE 120 Ca -0.08 -0.79 -0.25 0.00 -0.27 0.00 0.00 62.75 61.36 2wr3 n ILE 120 Cb 0.44 -0.68 -0.09 0.00 -1.74 0.00 0.00 39.64 37.57 2wr3 n ILE 120 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2wr3 s LEU 121 N -5.69 1.11 0.25 7.28 1.43 -0.48 -4.96 118.68 117.62 2wr3 s LEU 121 Ca -0.07 -2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 49.84 2wr3 s LEU 121 Cb 0.08 -0.22 -0.14 0.00 0.03 0.00 0.00 46.19 45.93 2wr3 s LEU 121 CO 0.83 -0.17 1.15 -2.65 0.23 0.00 0.00 176.35 175.74 2wr3 n PRO 122 N 2.94 1.48 -0.04 1.29 -0.02 -1.26 -4.38 135.00 135.00 2wr3 n PRO 122 Ca 0.28 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2wr3 n PRO 122 Cb 0.48 -2.00 0.28 0.00 -0.02 0.00 0.00 33.50 32.24 2wr3 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr3 h ARG 123 N 2.87 0.61 0.00 -0.52 3.08 -1.94 -2.79 114.38 115.69 2wr3 h ARG 123 Ca -0.42 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2wr3 h ARG 123 Cb 1.32 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2wr3 h ARG 123 CO 0.66 0.58 0.00 -0.40 -1.07 0.00 0.00 179.97 179.74 2wr3 n ASP 124 N -4.30 0.00 0.00 7.04 3.85 -1.26 -1.56 116.55 120.31 2wr3 n ASP 124 Ca 0.02 0.38 0.15 0.00 -0.71 0.00 0.00 54.79 54.63 2wr3 n ASP 124 Cb 0.21 -0.45 0.77 0.00 -1.35 0.00 0.00 41.12 40.31 2wr3 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wr3 n GLN 125 N -1.45 0.51 -2.45 0.11 6.02 -1.05 -4.15 117.38 114.93 2wr3 n GLN 125 Ca 0.06 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 2wr3 n GLN 125 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 2wr3 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr3 n TRP 126 N -1.24 3.88 0.06 1.08 7.02 -0.60 -4.84 117.44 122.80 2wr3 n TRP 126 Ca 0.16 -3.00 -0.14 0.00 -1.02 0.00 0.00 57.50 53.50 2wr3 n TRP 126 Cb 0.22 -2.22 -0.05 0.00 -2.42 0.00 0.00 31.31 26.84 2wr3 n TRP 126 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wr3 h THR 127 N 4.30 1.38 0.00 -0.99 1.03 -1.85 -3.17 112.91 113.61 2wr3 h THR 127 Ca 0.41 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.42 2wr3 h THR 127 Cb 0.74 2.38 0.00 0.00 -1.07 0.00 0.00 68.15 70.20 2wr3 h THR 127 CO 1.54 0.72 0.00 0.00 -0.01 0.00 0.00 175.52 177.77 2wr3 n GLN 128 N -3.77 0.97 -4.16 0.00 6.02 -1.26 -4.90 117.38 110.28 2wr3 n GLN 128 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 2wr3 n GLN 128 Cb 0.83 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.96 2wr3 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr3 s HIS 129 N -1.93 0.88 -0.04 1.08 3.76 -1.20 -4.56 115.29 113.28 2wr3 s HIS 129 Ca 0.00 -1.09 -0.17 0.00 -0.15 0.00 0.00 55.06 53.65 2wr3 s HIS 129 Cb 0.00 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 33.12 2wr3 s HIS 129 CO 0.00 -0.34 0.46 0.99 -0.85 0.00 0.00 174.74 175.00 2wr3 s THR 130 N -3.84 5.05 -0.21 1.30 2.01 0.11 -4.88 115.64 115.17 2wr3 s THR 130 Ca 0.18 0.95 0.07 0.00 0.31 0.00 0.00 61.69 63.20 2wr3 s THR 130 Cb 0.07 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 2wr3 s THR 130 CO -0.01 0.46 0.24 0.41 -0.69 0.00 0.00 174.62 175.03 2wr3 n THR 131 N 2.62 0.00 1.02 -0.82 -1.04 -1.26 -0.90 114.28 113.89 2wr3 n THR 131 Ca -0.10 -0.28 0.11 0.00 -2.04 0.00 0.00 64.05 61.73 2wr3 n THR 131 Cb 0.52 0.78 0.33 0.00 -1.82 0.00 0.00 70.33 70.14 2wr3 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr3 n THR 132 N -1.35 0.27 -1.67 12.58 -2.24 -1.26 -4.34 114.28 116.27 2wr3 n THR 132 Ca 0.00 -0.44 -0.52 0.00 -2.27 0.00 0.00 64.05 60.83 2wr3 n THR 132 Cb 0.13 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 2wr3 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 133 N 1.22 0.98 0.00 3.38 0.00 -1.26 -4.95 105.19 104.55 2wr3 n GLY 133 Ca 0.17 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2wr3 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr3 n GLY 134 N 3.72 6.90 3.48 -0.02 0.00 -1.26 -4.64 105.19 113.37 2wr3 n GLY 134 Ca 0.22 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2wr3 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr3 s SER 135 N 0.60 -0.59 0.42 1.61 0.15 -0.17 -4.89 113.70 110.83 2wr3 s SER 135 Ca 0.00 0.38 0.23 0.00 0.70 0.00 0.00 55.95 57.26 2wr3 s SER 135 Cb 0.00 0.54 0.75 0.00 -1.71 0.00 0.00 66.02 65.60 2wr3 s SER 135 CO 0.00 -0.74 1.75 -0.09 1.20 0.00 0.00 173.24 175.36 2wr3 h ARG 136 N 2.52 0.00 -0.39 5.44 9.65 -1.93 -2.93 114.38 126.74 2wr3 h ARG 136 Ca -0.29 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.53 2wr3 h ARG 136 Cb 1.21 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 2wr3 h ARG 136 CO 0.38 0.22 0.00 0.00 2.80 0.00 0.00 179.97 183.37 2wr3 h ALA 137 N 1.78 1.28 -1.14 2.80 0.00 -1.88 -3.18 119.26 118.91 2wr3 h ALA 137 Ca -0.00 -0.22 -0.71 0.00 0.00 0.00 0.00 54.91 53.97 2wr3 h ALA 137 Cb 0.87 -0.17 -0.32 0.00 0.00 0.00 0.00 17.79 18.17 2wr3 h ALA 137 CO 0.03 0.49 0.53 0.00 0.00 0.00 0.00 179.25 180.30 2wr3 s ALA 139 N -3.91 3.30 -0.59 0.00 0.00 -1.21 -2.61 121.76 116.74 2wr3 s ALA 139 Ca 0.51 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2wr3 s ALA 139 Cb 0.43 -2.85 0.15 0.00 0.00 0.00 0.00 23.12 20.85 2wr3 s ALA 139 CO -0.34 0.30 0.36 0.14 0.00 0.00 0.00 175.76 176.22 2wr3 s VAL 140 N -1.90 2.62 0.00 0.00 -7.23 -0.23 -4.88 120.40 108.77 2wr3 s VAL 140 Ca 0.53 -3.68 0.00 0.00 -1.81 0.00 0.00 61.98 57.01 2wr3 s VAL 140 Cb -0.12 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2wr3 s VAL 140 CO 0.18 -0.90 0.00 -1.54 -0.31 0.00 0.00 175.10 172.53 2wr3 n SER 141 N 2.64 0.00 -2.71 4.85 3.41 -1.26 -2.58 113.62 117.97 2wr3 n SER 141 Ca 0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2wr3 n SER 141 Cb 0.34 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 2wr3 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 142 N -0.13 1.59 3.97 5.00 0.00 -1.26 -5.14 105.19 109.22 2wr3 n GLY 142 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2wr3 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr3 s ASN 143 N -2.62 6.22 0.00 1.61 0.01 -1.07 -5.06 114.94 114.04 2wr3 s ASN 143 Ca 0.24 0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.21 2wr3 s ASN 143 Cb 0.41 -1.77 -0.06 0.00 0.41 0.00 0.00 41.25 40.25 2wr3 s ASN 143 CO -0.03 -0.23 1.45 -2.84 -1.51 0.00 0.00 177.10 173.95 2wr3 s PRO 144 N -4.13 4.26 0.00 -0.60 0.02 -1.26 -1.07 135.00 132.22 2wr3 s PRO 144 Ca 0.38 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2wr3 s PRO 144 Cb -0.09 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.82 2wr3 s PRO 144 CO 0.32 -0.62 0.00 0.45 -0.33 0.00 0.00 177.00 176.81 2wr3 n SER 145 N 5.56 0.29 -3.62 2.53 2.88 -1.07 -4.48 113.62 115.71 2wr3 n SER 145 Ca 0.14 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.65 2wr3 n SER 145 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 2wr3 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr3 s PHE 146 N 1.78 -0.08 -0.50 0.66 5.36 -1.23 -1.00 117.98 122.98 2wr3 s PHE 146 Ca 0.00 0.04 -0.46 0.00 -0.96 0.00 0.00 56.93 55.56 2wr3 s PHE 146 Cb 0.00 0.51 -0.20 0.00 -0.34 0.00 0.00 43.02 42.99 2wr3 s PHE 146 CO 0.00 -0.13 1.74 1.19 -1.46 0.00 0.00 175.22 176.57 2wr3 n PHE 147 N -0.07 1.57 0.29 10.12 3.01 -1.26 -4.73 117.46 126.39 2wr3 n PHE 147 Ca 0.02 1.03 0.14 0.00 1.01 0.00 0.00 57.45 59.66 2wr3 n PHE 147 Cb 0.58 -2.23 0.88 0.00 -0.01 0.00 0.00 39.48 38.69 2wr3 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr3 h ARG 148 N 6.11 0.00 -0.01 -1.08 3.08 0.67 -1.96 114.38 121.19 2wr3 h ARG 148 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2wr3 h ARG 148 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2wr3 h ARG 148 CO 1.00 0.02 -0.35 0.09 -1.07 0.00 0.00 179.97 179.67 2wr3 n ASN 149 N -3.83 1.16 -4.56 7.04 3.02 -0.67 -4.94 115.26 112.47 2wr3 n ASN 149 Ca -0.03 -0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 53.33 2wr3 n ASN 149 Cb 0.11 0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 2wr3 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr3 s MET 150 N -2.56 1.95 -0.12 3.52 -1.94 -0.74 -1.47 119.30 117.93 2wr3 s MET 150 Ca 0.21 -1.70 0.02 0.00 -1.71 0.00 0.00 55.69 52.51 2wr3 s MET 150 Cb 0.19 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 35.15 2wr3 s MET 150 CO 0.56 0.26 -0.17 0.08 -0.01 0.00 0.00 175.02 175.74 2wr3 s VAL 151 N -2.48 1.66 -0.78 -6.03 1.01 0.12 -4.82 120.40 109.09 2wr3 s VAL 151 Ca 0.32 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2wr3 s VAL 151 Cb -0.03 -1.51 0.13 0.00 0.00 0.00 0.00 36.38 34.97 2wr3 s VAL 151 CO 0.17 0.47 0.93 0.86 0.00 0.00 0.00 175.10 177.54 2wr3 s TRP 152 N 1.02 3.12 -0.03 5.22 -0.11 -1.26 -0.75 118.94 126.15 2wr3 s TRP 152 Ca -0.05 -1.25 -0.30 0.00 1.22 0.00 0.00 56.10 55.72 2wr3 s TRP 152 Cb -0.15 -4.14 -0.05 0.00 -1.50 0.00 0.00 33.47 27.64 2wr3 s TRP 152 CO -0.03 -1.38 1.36 -0.51 -4.62 0.00 0.00 176.95 171.77 2wr3 s LEU 153 N 2.48 4.29 0.32 5.86 1.43 -1.23 -4.12 118.68 127.71 2wr3 s LEU 153 Ca 0.23 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2wr3 s LEU 153 Cb -0.13 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2wr3 s LEU 153 CO -0.02 -0.71 0.11 0.42 0.23 0.00 0.00 176.35 176.38 2wr3 s THR 154 N 2.60 0.64 0.67 5.49 -4.23 -0.08 -4.67 115.64 116.06 2wr3 s THR 154 Ca 0.62 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 2wr3 s THR 154 Cb -0.29 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2wr3 s THR 154 CO 0.24 0.00 1.12 -1.59 -0.54 0.00 0.00 174.62 173.85 2wr3 s LYS 155 N -3.87 2.72 -0.21 3.99 -2.85 -0.56 0.05 119.74 119.01 2wr3 s LYS 155 Ca 0.34 1.40 -0.03 0.00 -1.00 0.00 0.00 55.97 56.68 2wr3 s LYS 155 Cb 0.06 -1.94 -0.01 0.00 -2.06 0.00 0.00 37.83 33.89 2wr3 s LYS 155 CO 0.15 -1.32 -0.07 0.21 0.10 0.00 0.00 175.35 174.43 2wr3 s LYS 156 N -4.13 3.34 7.95 1.78 2.20 0.01 -4.17 119.74 126.72 2wr3 s LYS 156 Ca 0.67 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 2wr3 s LYS 156 Cb -0.21 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2wr3 s LYS 156 CO 0.43 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 2wr3 n GLY 157 N 4.62 3.95 1.38 5.54 0.00 -1.26 -1.49 105.19 117.92 2wr3 n GLY 157 Ca -0.18 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2wr3 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr3 n SER 158 N 7.68 3.04 -4.01 1.61 3.41 -1.26 -5.01 113.62 119.08 2wr3 n SER 158 Ca 0.00 -3.61 -0.19 0.00 -0.26 0.00 0.00 58.87 54.81 2wr3 n SER 158 Cb 0.00 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.13 2wr3 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr3 s ASN 159 N -2.14 1.04 -0.43 4.04 0.02 -0.56 -4.94 114.94 111.99 2wr3 s ASN 159 Ca 0.47 -0.16 0.02 0.00 -1.02 0.00 0.00 52.86 52.17 2wr3 s ASN 159 Cb 0.41 -0.16 0.14 0.00 0.02 0.00 0.00 41.25 41.66 2wr3 s ASN 159 CO 0.04 0.09 0.23 -0.47 0.02 0.00 0.00 177.10 177.01 2wr3 s TYR 160 N -0.09 1.79 0.96 2.20 5.04 -1.26 -0.81 117.35 125.19 2wr3 s TYR 160 Ca 0.02 -2.30 -0.11 0.00 -2.44 0.00 0.00 57.07 52.23 2wr3 s TYR 160 Cb -0.05 -1.74 0.17 0.00 0.35 0.00 0.00 41.96 40.69 2wr3 s TYR 160 CO -0.00 -0.79 1.09 -2.14 -1.34 0.00 0.00 175.55 172.37 2wr3 s PRO 161 N 0.47 0.69 -0.05 4.97 0.02 -1.26 -4.87 135.00 134.96 2wr3 s PRO 161 Ca 0.18 1.09 -0.31 0.00 0.02 0.00 0.00 61.00 61.98 2wr3 s PRO 161 Cb -0.24 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 2wr3 s PRO 161 CO 0.00 -2.71 2.00 0.28 -0.33 0.00 0.00 177.00 176.24 2wr3 n VAL 162 N -4.24 0.64 -2.78 3.83 0.31 -1.26 -4.82 118.33 110.00 2wr3 n VAL 162 Ca 0.08 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 2wr3 n VAL 162 Cb 0.54 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 2wr3 n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wr3 s ALA 163 N 5.05 3.57 -0.26 3.52 0.00 0.11 -4.92 121.76 128.83 2wr3 s ALA 163 Ca 0.93 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2wr3 s ALA 163 Cb -0.50 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.39 2wr3 s ALA 163 CO 0.44 -0.80 0.41 0.21 0.00 0.00 0.00 175.76 176.02 2wr3 s LYS 164 N 2.54 0.39 0.14 0.00 2.20 -1.26 0.22 119.74 123.97 2wr3 s LYS 164 Ca 0.41 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 56.52 2wr3 s LYS 164 Cb -0.16 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2wr3 s LYS 164 CO 0.11 -0.75 -0.05 1.03 -0.36 0.00 0.00 175.35 175.32 2wr3 s ARG 165 N 2.58 0.98 0.19 4.03 0.52 -0.94 -5.00 118.95 121.30 2wr3 s ARG 165 Ca 0.13 -1.43 -0.00 0.00 -0.52 0.00 0.00 55.73 53.90 2wr3 s ARG 165 Cb -0.14 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 2wr3 s ARG 165 CO -0.20 -0.04 0.08 -1.54 0.02 0.00 0.00 175.30 173.62 2wr3 s SER 166 N -3.12 0.61 -0.17 0.23 1.04 -1.26 -0.24 113.70 110.80 2wr3 s SER 166 Ca 0.17 -1.30 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 2wr3 s SER 166 Cb 0.05 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.50 2wr3 s SER 166 CO -0.01 -0.74 0.36 -0.47 0.98 0.00 0.00 173.24 173.37 2wr3 s TYR 167 N -3.95 -0.62 -0.25 5.02 5.04 -0.97 -4.99 117.35 116.62 2wr3 s TYR 167 Ca 0.32 1.28 -0.20 0.00 -2.44 0.00 0.00 57.07 56.02 2wr3 s TYR 167 Cb 0.07 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 2wr3 s TYR 167 CO 0.08 -0.40 0.61 1.21 -1.34 0.00 0.00 175.55 175.71 2wr3 s ASN 168 N 2.20 6.56 -0.99 4.32 3.84 -1.26 -1.83 114.94 127.78 2wr3 s ASN 168 Ca -0.03 0.68 -0.24 0.00 0.21 0.00 0.00 52.86 53.48 2wr3 s ASN 168 Cb -0.11 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2wr3 s ASN 168 CO -0.11 -0.36 1.86 0.21 -2.79 0.00 0.00 177.10 175.91 2wr3 s ASN 169 N 1.48 5.40 -0.03 -4.21 2.47 -0.11 -4.69 114.94 115.23 2wr3 s ASN 169 Ca 0.25 -1.06 0.18 0.00 0.42 0.00 0.00 52.86 52.66 2wr3 s ASN 169 Cb -0.16 -2.57 0.58 0.00 -1.45 0.00 0.00 41.25 37.66 2wr3 s ASN 169 CO 0.09 -2.56 1.48 0.35 -3.72 0.00 0.00 177.10 172.74 2wr3 n THR 170 N 7.65 1.10 0.63 -5.21 -2.24 -1.26 -0.44 114.28 114.51 2wr3 n THR 170 Ca 0.40 -0.90 0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2wr3 n THR 170 Cb 0.47 0.29 0.46 0.00 -2.10 0.00 0.00 70.33 69.46 2wr3 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr3 n SER 171 N 1.20 0.47 0.00 3.42 3.41 -1.26 -4.90 113.62 115.95 2wr3 n SER 171 Ca 0.21 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2wr3 n SER 171 Cb 0.62 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2wr3 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 172 N 0.79 3.05 3.76 5.00 0.00 -1.26 -4.99 105.19 111.53 2wr3 n GLY 172 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2wr3 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr3 s GLU 173 N -0.19 2.69 0.44 1.61 2.02 -1.26 -4.95 118.70 119.06 2wr3 s GLU 173 Ca 0.00 -1.18 -0.24 0.00 0.02 0.00 0.00 54.97 53.57 2wr3 s GLU 173 Cb 0.00 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 2wr3 s GLU 173 CO 0.00 0.39 1.20 0.94 0.02 0.00 0.00 175.26 177.81 2wr3 n GLN 174 N -1.02 1.70 -4.30 1.61 7.27 -1.25 -4.49 117.38 116.91 2wr3 n GLN 174 Ca -0.07 0.61 -0.25 0.00 0.07 0.00 0.00 57.00 57.35 2wr3 n GLN 174 Cb 0.58 -2.31 -0.17 0.00 2.41 0.00 0.00 30.24 30.76 2wr3 n GLN 174 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2wr3 s MET 175 N -2.26 1.63 0.00 3.69 -2.45 -0.61 -1.62 119.30 117.69 2wr3 s MET 175 Ca 0.63 -0.35 -0.29 0.00 -1.25 0.00 0.00 55.69 54.43 2wr3 s MET 175 Cb -0.51 -1.48 -0.03 0.00 1.25 0.00 0.00 34.83 34.06 2wr3 s MET 175 CO 0.56 -0.10 0.95 -1.17 1.05 0.00 0.00 175.02 176.32 2wr3 s LEU 176 N 1.09 4.38 -0.04 4.11 2.96 0.00 0.44 118.68 131.63 2wr3 s LEU 176 Ca -0.06 1.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2wr3 s LEU 176 Cb -0.14 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.04 2wr3 s LEU 176 CO -0.01 -0.23 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.12 2wr3 s ILE 177 N 0.90 0.45 -0.06 6.68 1.01 -0.54 -0.63 121.20 129.02 2wr3 s ILE 177 Ca 0.50 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.13 2wr3 s ILE 177 Cb -0.21 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 2wr3 s ILE 177 CO 0.27 0.20 -0.22 -0.63 0.00 0.00 0.00 174.94 174.57 2wr3 s ILE 178 N 0.89 2.36 0.24 2.92 1.01 -1.26 -1.66 121.20 125.69 2wr3 s ILE 178 Ca -0.11 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2wr3 s ILE 178 Cb -0.14 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2wr3 s ILE 178 CO -0.00 0.57 0.08 -1.66 0.00 0.00 0.00 174.94 173.93 2wr3 s TRP 179 N -0.32 1.46 0.14 3.97 -2.14 -0.67 -3.98 118.94 117.41 2wr3 s TRP 179 Ca 0.01 -1.15 -0.01 0.00 2.66 0.00 0.00 56.10 57.61 2wr3 s TRP 179 Cb -0.13 -0.85 -0.04 0.00 -3.10 0.00 0.00 33.47 29.36 2wr3 s TRP 179 CO 0.02 -0.32 0.07 0.20 -2.66 0.00 0.00 176.95 174.26 2wr3 s GLY 180 N -3.28 1.06 -0.02 3.67 0.00 -0.29 -0.94 107.32 107.52 2wr3 s GLY 180 Ca 0.35 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.59 2wr3 s GLY 180 CO 0.12 -1.37 -0.11 -1.50 0.00 0.00 0.00 173.10 170.24 2wr3 s ILE 181 N -4.06 0.87 -0.17 0.90 2.07 -0.64 -0.53 121.20 119.64 2wr3 s ILE 181 Ca 0.26 -0.45 -0.16 0.00 -1.41 0.00 0.00 60.65 58.89 2wr3 s ILE 181 Cb 0.07 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 2wr3 s ILE 181 CO 0.03 0.26 0.41 -2.28 -1.91 0.00 0.00 174.94 171.45 2wr3 s HIS 182 N -0.09 3.42 -0.50 3.50 5.65 0.05 -1.36 115.29 125.97 2wr3 s HIS 182 Ca 0.01 0.69 -0.09 0.00 0.25 0.00 0.00 55.06 55.92 2wr3 s HIS 182 Cb -0.06 -2.51 0.13 0.00 -1.18 0.00 0.00 32.58 28.96 2wr3 s HIS 182 CO 0.00 0.07 0.37 0.71 -0.65 0.00 0.00 174.74 175.24 2wr3 s TYR 183 N 1.02 3.44 0.87 3.88 2.02 0.22 -4.74 117.35 124.06 2wr3 s TYR 183 Ca 0.21 -1.94 -0.12 0.00 -0.37 0.00 0.00 57.07 54.85 2wr3 s TYR 183 Cb -0.15 -3.50 0.11 0.00 -0.40 0.00 0.00 41.96 38.03 2wr3 s TYR 183 CO 0.08 -0.99 1.11 -2.14 -1.57 0.00 0.00 175.55 172.05 2wr3 s PRO 184 N 1.22 1.52 0.16 -1.71 0.02 -1.26 -0.39 135.00 134.55 2wr3 s PRO 184 Ca 0.07 0.48 0.08 0.00 0.02 0.00 0.00 61.00 61.65 2wr3 s PRO 184 Cb -0.25 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 2wr3 s PRO 184 CO -0.01 -1.98 1.37 -0.97 -0.33 0.00 0.00 177.00 175.08 2wr3 h ASN 185 N -1.35 0.01 -5.48 2.53 -1.24 -1.86 -3.19 115.58 105.00 2wr3 h ASN 185 Ca -0.49 -0.01 0.22 0.00 0.71 0.00 0.00 56.30 56.73 2wr3 h ASN 185 Cb 1.30 -0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.27 2wr3 h ASN 185 CO 0.60 0.90 0.61 1.51 -1.29 0.00 0.00 177.43 179.77 2wr3 s ASP 186 N -6.76 -0.10 0.32 1.15 -4.77 -1.26 -3.35 116.67 101.90 2wr3 s ASP 186 Ca 0.00 -0.38 0.06 0.00 -3.30 0.00 0.00 52.55 48.93 2wr3 s ASP 186 Cb 0.11 0.39 0.71 0.00 -1.09 0.00 0.00 42.92 43.04 2wr3 s ASP 186 CO 0.81 -0.74 1.83 0.44 0.70 0.00 0.00 175.17 178.21 2wr3 h ASP 187 N 2.00 0.79 0.17 2.11 3.32 -1.94 -1.56 116.42 121.31 2wr3 h ASP 187 Ca -0.26 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.64 2wr3 h ASP 187 Cb 1.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2wr3 h ASP 187 CO 0.28 0.37 -0.78 0.71 -1.72 0.00 0.00 179.24 178.10 2wr3 h THR 188 N 0.81 1.36 -0.53 0.35 1.35 -1.99 -1.68 112.91 112.57 2wr3 h THR 188 Ca 0.51 -2.15 -0.07 0.00 -0.55 0.00 0.00 66.41 64.15 2wr3 h THR 188 Cb 0.71 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2wr3 h THR 188 CO -0.28 0.65 0.06 -0.08 -0.25 0.00 0.00 175.52 175.62 2wr3 h GLU 189 N 0.33 0.87 -0.62 4.72 4.81 -1.83 -1.26 114.58 121.60 2wr3 h GLU 189 Ca -0.05 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2wr3 h GLU 189 Cb 1.38 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2wr3 h GLU 189 CO 0.14 0.83 0.37 0.37 -0.73 0.00 0.00 179.01 179.99 2wr3 h GLN 190 N 0.82 0.71 -0.10 1.92 5.75 -1.12 -2.76 115.11 120.33 2wr3 h GLN 190 Ca 0.17 -0.04 -0.24 0.00 -0.15 0.00 0.00 58.65 58.38 2wr3 h GLN 190 Cb 0.41 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.81 2wr3 h GLN 190 CO 0.01 0.47 -0.87 0.00 -2.65 0.00 0.00 178.83 175.79 2wr3 h ARG 191 N 0.73 0.76 0.00 1.69 3.08 -0.96 -0.80 114.38 118.88 2wr3 h ARG 191 Ca 0.25 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2wr3 h ARG 191 Cb 0.05 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wr3 h ARG 191 CO -0.12 1.28 0.00 1.79 -1.07 0.00 0.00 179.97 181.86 2wr3 h THR 192 N 0.49 0.00 0.02 2.04 1.35 -1.21 -0.81 112.91 114.79 2wr3 h THR 192 Ca -0.08 -0.25 -0.40 0.00 -0.55 0.00 0.00 66.41 65.13 2wr3 h THR 192 Cb 1.51 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.88 2wr3 h THR 192 CO 0.18 0.00 -2.32 0.18 -0.25 0.00 0.00 175.52 173.30 2wr3 n LEU 193 N -2.30 2.52 0.00 3.87 4.32 -1.05 -4.80 117.00 119.57 2wr3 n LEU 193 Ca 0.02 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2wr3 n LEU 193 Cb 0.24 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 2wr3 n LEU 193 CO 0.20 0.76 0.19 -1.22 -1.22 0.00 0.00 177.39 176.10 2wr3 n TYR 194 N -3.69 0.00 0.00 -1.77 4.02 -0.32 -1.49 117.16 113.91 2wr3 n TYR 194 Ca -0.45 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 2wr3 n TYR 194 Cb 0.94 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 2wr3 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2wr3 n GLN 195 N -0.03 0.00 -1.39 -0.72 1.13 -0.31 -4.54 117.38 111.53 2wr3 n GLN 195 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 2wr3 n GLN 195 Cb 0.10 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.53 2wr3 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr3 s ASN 196 N 0.00 4.85 -0.09 1.08 0.02 -1.26 -4.68 114.94 114.86 2wr3 s ASN 196 Ca 0.00 1.73 -0.02 0.00 -1.02 0.00 0.00 52.86 53.55 2wr3 s ASN 196 Cb 0.00 -2.50 -0.05 0.00 0.02 0.00 0.00 41.25 38.72 2wr3 s ASN 196 CO 0.00 -1.80 -0.10 0.52 0.02 0.00 0.00 177.10 175.74 2wr3 n VAL 197 N -3.37 0.50 -1.26 1.60 0.31 -1.26 -4.73 118.33 110.12 2wr3 n VAL 197 Ca 0.08 -0.15 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 2wr3 n VAL 197 Cb 0.53 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 2wr3 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr3 n GLY 198 N 2.70 4.12 3.92 2.92 0.00 -1.26 -4.95 105.19 112.65 2wr3 n GLY 198 Ca -0.17 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 2wr3 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr3 s THR 199 N 2.38 4.14 0.01 2.61 -4.23 -1.26 -5.04 115.64 114.25 2wr3 s THR 199 Ca 0.65 -0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.94 2wr3 s THR 199 Cb 0.17 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.44 2wr3 s THR 199 CO -0.06 -0.54 0.28 -0.72 -0.54 0.00 0.00 174.62 173.04 2wr3 s TYR 200 N -2.78 -0.11 -0.15 3.99 -0.85 -1.26 -4.24 117.35 111.95 2wr3 s TYR 200 Ca 0.50 0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 57.12 2wr3 s TYR 200 Cb -0.10 0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.29 2wr3 s TYR 200 CO 0.43 -0.41 -0.11 0.08 -1.52 0.00 0.00 175.55 174.02 2wr3 s VAL 201 N -1.80 3.14 -0.13 -3.49 1.01 0.33 -2.49 120.40 116.97 2wr3 s VAL 201 Ca -0.10 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2wr3 s VAL 201 Cb -0.04 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2wr3 s VAL 201 CO 0.01 0.50 -0.15 -0.55 0.00 0.00 0.00 175.10 174.91 2wr3 s SER 202 N 0.63 2.59 -0.07 3.32 0.15 0.59 0.01 113.70 120.93 2wr3 s SER 202 Ca -0.06 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.15 2wr3 s SER 202 Cb -0.15 -1.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.02 2wr3 s SER 202 CO 0.03 -0.01 -0.13 -0.69 1.20 0.00 0.00 173.24 173.63 2wr3 s VAL 203 N 1.19 1.21 -0.02 4.45 1.01 -0.05 -1.27 120.40 126.93 2wr3 s VAL 203 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2wr3 s VAL 203 Cb -0.14 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2wr3 s VAL 203 CO -0.06 0.37 0.01 -0.83 0.00 0.00 0.00 175.10 174.59 2wr3 s GLY 204 N 0.62 0.14 0.00 4.51 0.00 -0.94 -0.33 107.32 111.32 2wr3 s GLY 204 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2wr3 s GLY 204 CO 0.04 0.43 0.00 -1.30 0.00 0.00 0.00 173.10 172.27 2wr3 n THR 205 N 3.82 0.00 -0.01 0.90 -2.24 0.35 -0.76 114.28 116.33 2wr3 n THR 205 Ca -0.23 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 2wr3 n THR 205 Cb 0.53 -0.06 0.22 0.00 -2.10 0.00 0.00 70.33 68.92 2wr3 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr3 h SER 206 N 0.00 0.54 0.00 3.42 0.02 -1.99 -3.35 113.55 112.19 2wr3 h SER 206 Ca 0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2wr3 h SER 206 Cb 0.00 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2wr3 h SER 206 CO 0.00 0.71 -1.07 0.35 -1.14 0.00 0.00 176.83 175.68 2wr3 n THR 207 N -4.18 0.00 -3.77 -2.27 -2.24 -1.26 -5.00 114.28 95.56 2wr3 n THR 207 Ca 0.01 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 2wr3 n THR 207 Cb 0.34 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 2wr3 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr3 s LEU 208 N -3.14 4.36 -0.37 3.22 2.96 -1.26 -5.06 118.68 119.40 2wr3 s LEU 208 Ca -0.01 0.52 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 2wr3 s LEU 208 Cb 0.01 -2.78 0.19 0.00 0.50 0.00 0.00 46.19 44.11 2wr3 s LEU 208 CO 0.06 0.22 0.63 0.21 -1.32 0.00 0.00 176.35 176.15 2wr3 s ASN 209 N -1.88 -1.54 -0.01 3.68 2.47 -1.26 -0.50 114.94 115.91 2wr3 s ASN 209 Ca 0.30 -0.43 0.03 0.00 0.42 0.00 0.00 52.86 53.18 2wr3 s ASN 209 Cb -0.13 1.96 -0.01 0.00 -1.45 0.00 0.00 41.25 41.62 2wr3 s ASN 209 CO 0.18 -0.21 -0.11 -0.75 -3.72 0.00 0.00 177.10 172.50 2wr3 s LYS 210 N 2.19 0.88 -0.08 0.43 2.20 0.56 -5.02 119.74 120.91 2wr3 s LYS 210 Ca 0.14 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2wr3 s LYS 210 Cb -0.06 -0.85 0.03 0.00 -1.51 0.00 0.00 37.83 35.44 2wr3 s LYS 210 CO -0.14 0.22 -0.01 0.50 -0.36 0.00 0.00 175.35 175.57 2wr3 s ARG 211 N -0.21 0.72 0.02 4.03 3.52 -1.26 -0.87 118.95 124.90 2wr3 s ARG 211 Ca 0.03 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 2wr3 s ARG 211 Cb -0.05 -1.05 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 2wr3 s ARG 211 CO -0.00 -0.30 -0.08 -1.12 -0.81 0.00 0.00 175.30 172.98 2wr3 s SER 212 N 1.94 4.50 -0.06 -2.12 0.01 0.10 -4.96 113.70 113.10 2wr3 s SER 212 Ca 0.05 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.17 2wr3 s SER 212 Cb -0.12 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.10 2wr3 s SER 212 CO -0.06 0.27 -0.24 0.27 0.41 0.00 0.00 173.24 173.90 2wr3 s ILE 213 N -1.00 1.95 0.33 1.44 -0.00 -1.26 -0.51 121.20 122.14 2wr3 s ILE 213 Ca 0.17 -1.00 -0.29 0.00 -0.00 0.00 0.00 60.65 59.53 2wr3 s ILE 213 Cb -0.11 -1.66 -0.11 0.00 -0.00 0.00 0.00 42.46 40.58 2wr3 s ILE 213 CO 0.08 0.54 1.55 -2.84 -0.00 0.00 0.00 174.94 174.27 2wr3 s PRO 214 N -0.04 4.12 -0.92 0.37 0.02 -1.26 -4.98 135.00 132.31 2wr3 s PRO 214 Ca -0.06 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.45 2wr3 s PRO 214 Cb -0.14 -3.00 0.23 0.00 0.02 0.00 0.00 34.50 31.61 2wr3 s PRO 214 CO 0.04 -0.59 0.85 -1.21 -0.33 0.00 0.00 177.00 175.77 2wr3 s GLU 215 N -1.15 3.60 -0.21 5.54 2.02 -1.26 -5.04 118.70 122.19 2wr3 s GLU 215 Ca 0.59 -2.95 -0.29 0.00 0.02 0.00 0.00 54.97 52.33 2wr3 s GLU 215 Cb -0.47 -4.26 -0.01 0.00 0.10 0.00 0.00 34.13 29.49 2wr3 s GLU 215 CO 0.54 -1.25 1.31 0.96 0.02 0.00 0.00 175.26 176.84 2wr3 s ILE 216 N -0.77 4.17 -0.22 -1.63 -5.25 -1.26 -4.58 121.20 111.66 2wr3 s ILE 216 Ca 0.25 1.38 -0.29 0.00 -0.99 0.00 0.00 60.65 61.00 2wr3 s ILE 216 Cb -0.11 -4.01 0.15 0.00 2.95 0.00 0.00 42.46 41.44 2wr3 s ILE 216 CO -0.09 -0.25 1.12 0.00 -1.79 0.00 0.00 174.94 173.93 2wr3 s ALA 217 N 3.91 -2.01 -0.09 2.27 0.00 -1.21 -4.93 121.76 119.71 2wr3 s ALA 217 Ca 0.57 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 2wr3 s ALA 217 Cb -0.21 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2wr3 s ALA 217 CO 0.19 -0.26 1.38 0.99 0.00 0.00 0.00 175.76 178.06 2wr3 s THR 218 N -0.75 3.98 0.17 0.00 2.01 -1.21 -4.56 115.64 115.28 2wr3 s THR 218 Ca 0.02 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.33 2wr3 s THR 218 Cb -0.02 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2wr3 s THR 218 CO -0.03 -0.07 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.56 2wr3 s ARG 219 N 3.25 1.17 0.97 4.92 0.52 -1.26 -5.13 118.95 123.39 2wr3 s ARG 219 Ca 0.61 -1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 2wr3 s ARG 219 Cb -0.27 -0.90 0.13 0.00 0.52 0.00 0.00 34.95 34.44 2wr3 s ARG 219 CO 0.22 0.14 0.86 -2.30 0.02 0.00 0.00 175.30 174.24 2wr3 n PRO 220 N -0.13 -0.75 -3.21 3.54 -0.02 -1.26 -4.77 135.00 128.39 2wr3 n PRO 220 Ca -0.10 -0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 60.82 2wr3 n PRO 220 Cb 0.60 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2wr3 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr3 s LYS 221 N -4.26 4.35 -0.11 -0.52 1.02 -1.26 -4.54 119.74 114.43 2wr3 s LYS 221 Ca 0.64 0.65 0.03 0.00 0.02 0.00 0.00 55.97 57.31 2wr3 s LYS 221 Cb -0.22 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2wr3 s LYS 221 CO 0.62 0.20 -0.22 0.08 -0.92 0.00 0.00 175.35 175.11 2wr3 s VAL 222 N 0.41 1.97 -1.52 3.17 1.01 0.23 -4.58 120.40 121.08 2wr3 s VAL 222 Ca 0.31 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2wr3 s VAL 222 Cb -0.17 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.56 2wr3 s VAL 222 CO 0.14 0.54 0.56 0.59 0.00 0.00 0.00 175.10 176.93 2wr3 n ASN 223 N 3.72 -1.55 0.00 3.32 3.02 -1.26 -0.62 115.26 121.88 2wr3 n ASN 223 Ca -0.20 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2wr3 n ASN 223 Cb 0.52 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2wr3 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr3 n GLY 224 N -1.79 0.32 3.38 7.41 0.00 -1.26 -4.55 105.19 108.70 2wr3 n GLY 224 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2wr3 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr3 s GLN 225 N -0.85 2.49 -0.11 1.61 -1.52 0.20 -4.99 119.66 116.50 2wr3 s GLN 225 Ca 0.00 -0.80 0.04 0.00 -1.95 0.00 0.00 55.36 52.66 2wr3 s GLN 225 Cb 0.00 -2.27 -0.24 0.00 -0.22 0.00 0.00 33.01 30.28 2wr3 s GLN 225 CO 0.00 0.52 0.40 0.41 -0.25 0.00 0.00 175.29 176.38 2wr3 n GLY 226 N 2.58 -0.76 3.62 3.09 0.00 -1.26 -0.60 105.19 111.86 2wr3 n GLY 226 Ca -0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2wr3 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr3 s GLY 227 N -5.47 1.60 0.06 -0.02 0.00 -1.26 -4.54 107.32 97.68 2wr3 s GLY 227 Ca -0.15 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.60 2wr3 s GLY 227 CO 0.78 0.59 -0.08 0.50 0.00 0.00 0.00 173.10 174.89 2wr3 s ARG 228 N -4.70 0.62 -0.10 2.90 1.81 0.48 -4.59 118.95 115.36 2wr3 s ARG 228 Ca 0.66 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.78 2wr3 s ARG 228 Cb -0.22 -0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 33.99 2wr3 s ARG 228 CO 0.60 0.04 -0.20 -1.64 -0.68 0.00 0.00 175.30 173.42 2wr3 s MET 229 N -2.17 3.11 -0.33 3.54 -1.94 0.59 0.72 119.30 122.81 2wr3 s MET 229 Ca -0.04 -0.80 -0.08 0.00 -1.71 0.00 0.00 55.69 53.06 2wr3 s MET 229 Cb -0.06 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 34.39 2wr3 s MET 229 CO -0.01 0.23 0.12 -2.00 -0.01 0.00 0.00 175.02 173.35 2wr3 s GLU 230 N 0.25 2.92 -0.00 2.03 2.12 -0.47 -2.19 118.70 123.36 2wr3 s GLU 230 Ca -0.13 -0.99 -0.12 0.00 0.36 0.00 0.00 54.97 54.09 2wr3 s GLU 230 Cb -0.17 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2wr3 s GLU 230 CO 0.07 -0.56 0.35 -0.06 -0.54 0.00 0.00 175.26 174.52 2wr3 s PHE 231 N 1.49 3.67 0.30 5.30 0.40 -0.82 -1.62 117.98 126.70 2wr3 s PHE 231 Ca 0.01 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.27 2wr3 s PHE 231 Cb -0.18 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.11 2wr3 s PHE 231 CO 0.04 0.64 -0.09 -1.12 0.70 0.00 0.00 175.22 175.39 2wr3 s SER 232 N -1.24 3.19 0.03 1.36 0.01 -0.12 -1.06 113.70 115.86 2wr3 s SER 232 Ca 0.24 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 2wr3 s SER 232 Cb -0.15 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 2wr3 s SER 232 CO 0.13 -0.25 0.12 -1.66 0.41 0.00 0.00 173.24 171.98 2wr3 s TRP 233 N -2.82 0.13 0.12 2.43 1.48 -1.26 -1.67 118.94 117.36 2wr3 s TRP 233 Ca 0.30 -0.36 -0.03 0.00 -1.06 0.00 0.00 56.10 54.96 2wr3 s TRP 233 Cb 0.02 -0.10 -0.03 0.00 -1.16 0.00 0.00 33.47 32.20 2wr3 s TRP 233 CO 0.14 -0.34 0.10 -0.08 -4.06 0.00 0.00 176.95 172.70 2wr3 s THR 234 N -2.16 0.12 -0.32 0.66 -1.32 -0.66 -5.00 115.64 106.95 2wr3 s THR 234 Ca -0.09 -1.75 -0.09 0.00 -1.21 0.00 0.00 61.69 58.55 2wr3 s THR 234 Cb -0.04 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.08 2wr3 s THR 234 CO -0.02 -0.53 0.15 -0.76 -2.21 0.00 0.00 174.62 171.25 2wr3 s LEU 235 N -3.00 4.21 -0.36 9.08 1.43 -1.26 -1.47 118.68 127.31 2wr3 s LEU 235 Ca 0.19 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 2wr3 s LEU 235 Cb 0.07 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2wr3 s LEU 235 CO -0.01 -0.24 0.89 -0.22 0.23 0.00 0.00 176.35 176.99 2wr3 s LEU 236 N 1.57 4.03 0.70 1.79 2.96 0.17 -4.87 118.68 125.03 2wr3 s LEU 236 Ca 0.03 0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 54.34 2wr3 s LEU 236 Cb -0.18 -3.20 0.02 0.00 0.50 0.00 0.00 46.19 43.33 2wr3 s LEU 236 CO 0.05 -0.81 1.16 -1.61 -1.32 0.00 0.00 176.35 173.82 2wr3 s GLU 237 N 3.36 2.44 0.23 1.98 8.01 -1.26 -1.57 118.70 131.89 2wr3 s GLU 237 Ca 0.36 1.58 -0.31 0.00 0.01 0.00 0.00 54.97 56.61 2wr3 s GLU 237 Cb -0.12 -1.89 -0.14 0.00 -4.31 0.00 0.00 34.13 27.67 2wr3 s GLU 237 CO 0.18 -1.56 1.33 0.25 0.01 0.00 0.00 175.26 175.46 2wr3 n THR 238 N -2.58 0.99 -1.41 3.63 -2.24 -1.26 -1.44 114.28 109.97 2wr3 n THR 238 Ca 0.12 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2wr3 n THR 238 Cb 0.51 -1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 2wr3 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr3 n TRP 239 N 1.71 0.00 -3.87 4.78 7.02 0.42 -4.99 117.44 122.51 2wr3 n TRP 239 Ca 0.12 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.37 2wr3 n TRP 239 Cb 0.30 -2.87 -0.02 0.00 -2.42 0.00 0.00 31.31 26.29 2wr3 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr3 s ASP 240 N -2.58 6.33 0.05 -0.99 3.68 -0.52 -4.79 116.67 117.85 2wr3 s ASP 240 Ca 0.00 0.18 0.06 0.00 2.13 0.00 0.00 52.55 54.92 2wr3 s ASP 240 Cb 0.00 -1.91 -0.03 0.00 -1.45 0.00 0.00 42.92 39.53 2wr3 s ASP 240 CO 0.00 -0.06 -0.14 0.54 0.13 0.00 0.00 175.17 175.64 2wr3 s VAL 241 N -1.94 3.09 -0.24 1.11 0.11 -1.26 -0.94 120.40 120.33 2wr3 s VAL 241 Ca 0.35 -1.13 -0.06 0.00 -2.93 0.00 0.00 61.98 58.21 2wr3 s VAL 241 Cb -0.10 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2wr3 s VAL 241 CO 0.30 0.29 0.02 -0.51 -3.33 0.00 0.00 175.10 171.87 2wr3 s ILE 242 N -1.01 3.85 -0.11 7.04 2.07 -0.76 -4.32 121.20 127.95 2wr3 s ILE 242 Ca 0.17 -0.37 -0.18 0.00 -1.41 0.00 0.00 60.65 58.85 2wr3 s ILE 242 Cb -0.11 -2.80 -0.04 0.00 0.13 0.00 0.00 42.46 39.64 2wr3 s ILE 242 CO 0.08 0.35 0.48 0.20 -1.91 0.00 0.00 174.94 174.13 2wr3 s ASN 243 N 1.54 6.69 -0.12 4.50 0.01 0.06 -2.29 114.94 125.33 2wr3 s ASN 243 Ca 0.06 0.82 -0.02 0.00 -0.71 0.00 0.00 52.86 53.01 2wr3 s ASN 243 Cb -0.15 -2.29 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 2wr3 s ASN 243 CO 0.00 0.01 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.20 2wr3 s PHE 244 N 0.56 3.01 -0.04 2.20 0.40 0.67 -2.22 117.98 122.56 2wr3 s PHE 244 Ca 0.26 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 2wr3 s PHE 244 Cb -0.15 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.55 2wr3 s PHE 244 CO 0.10 0.11 0.08 -2.00 0.70 0.00 0.00 175.22 174.22 2wr3 s GLU 245 N -0.10 0.00 -0.07 0.44 2.12 -0.40 -2.22 118.70 118.47 2wr3 s GLU 245 Ca 0.02 0.30 -0.10 0.00 0.36 0.00 0.00 54.97 55.54 2wr3 s GLU 245 Cb -0.13 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.02 2wr3 s GLU 245 CO 0.03 -0.20 0.27 0.45 -0.54 0.00 0.00 175.26 175.26 2wr3 s SER 246 N 1.34 -0.23 0.00 -1.70 0.15 0.13 -0.30 113.70 113.10 2wr3 s SER 246 Ca -0.06 0.38 0.17 0.00 0.70 0.00 0.00 55.95 57.13 2wr3 s SER 246 Cb -0.12 0.47 0.28 0.00 -1.71 0.00 0.00 66.02 64.94 2wr3 s SER 246 CO -0.04 -0.20 1.20 0.35 1.20 0.00 0.00 173.24 175.75 2wr3 n THR 247 N 2.44 0.42 0.00 6.45 -2.24 -1.04 0.06 114.28 120.37 2wr3 n THR 247 Ca -0.16 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2wr3 n THR 247 Cb 0.57 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2wr3 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 248 N 1.02 3.63 2.15 3.38 0.00 -1.26 -4.78 105.19 109.34 2wr3 n GLY 248 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2wr3 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr3 n ASN 249 N 0.00 -1.79 -4.72 1.61 3.02 -1.26 -4.35 115.26 107.77 2wr3 n ASN 249 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2wr3 n ASN 249 Cb 0.00 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 2wr3 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr3 s LEU 250 N 0.00 4.44 -0.56 3.41 2.96 -1.26 -0.77 118.68 126.90 2wr3 s LEU 250 Ca 0.00 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.53 2wr3 s LEU 250 Cb 0.00 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.25 2wr3 s LEU 250 CO 0.00 -0.15 0.48 -0.63 -1.32 0.00 0.00 176.35 174.73 2wr3 s ILE 251 N 0.43 4.78 0.43 6.68 -1.09 0.31 -3.55 121.20 129.18 2wr3 s ILE 251 Ca 0.49 -1.86 -0.22 0.00 -2.23 0.00 0.00 60.65 56.82 2wr3 s ILE 251 Cb -0.22 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.48 2wr3 s ILE 251 CO 0.29 -0.86 1.02 0.00 -1.23 0.00 0.00 174.94 174.16 2wr3 s ALA 252 N 1.17 3.02 0.38 9.38 0.00 0.07 -1.14 121.76 134.64 2wr3 s ALA 252 Ca 0.07 0.59 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 2wr3 s ALA 252 Cb -0.25 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 2wr3 s ALA 252 CO -0.01 -0.14 0.93 -1.25 0.00 0.00 0.00 175.76 175.29 2wr3 s PRO 253 N -2.83 4.33 -0.24 0.00 0.04 -1.26 0.16 135.00 135.20 2wr3 s PRO 253 Ca 0.61 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2wr3 s PRO 253 Cb -0.17 -2.41 -0.19 0.00 0.04 0.00 0.00 34.50 31.77 2wr3 s PRO 253 CO 0.22 0.09 -0.14 -1.91 0.04 0.00 0.00 177.00 175.30 2wr3 n GLU 254 N -0.20 0.66 -4.24 4.56 2.13 -0.54 -4.56 120.64 118.44 2wr3 n GLU 254 Ca 0.05 0.13 -0.23 0.00 0.66 0.00 0.00 57.16 57.77 2wr3 n GLU 254 Cb 0.53 -1.53 -0.06 0.00 0.27 0.00 0.00 31.44 30.64 2wr3 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr3 s TYR 255 N -2.52 2.82 0.18 4.31 1.51 -1.24 -1.36 117.35 121.05 2wr3 s TYR 255 Ca -0.29 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 2wr3 s TYR 255 Cb 0.08 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2wr3 s TYR 255 CO 0.65 0.59 -0.08 0.20 -1.11 0.00 0.00 175.55 175.80 2wr3 s GLY 256 N -3.73 1.24 -0.29 0.71 0.00 0.01 -4.70 107.32 100.56 2wr3 s GLY 256 Ca 0.32 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.47 2wr3 s GLY 256 CO 0.21 -1.63 -0.05 -1.36 0.00 0.00 0.00 173.10 170.28 2wr3 s PHE 257 N -3.31 3.34 0.07 1.90 0.40 0.20 -0.45 117.98 120.13 2wr3 s PHE 257 Ca 0.20 -2.27 -0.34 0.00 -0.60 0.00 0.00 56.93 53.92 2wr3 s PHE 257 Cb 0.03 -2.14 -0.13 0.00 0.51 0.00 0.00 43.02 41.29 2wr3 s PHE 257 CO 0.03 -0.87 1.71 1.63 0.70 0.00 0.00 175.22 178.42 2wr3 n LYS 258 N 4.47 2.22 -3.89 0.44 5.02 0.38 -0.82 118.16 125.98 2wr3 n LYS 258 Ca -0.11 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 56.87 2wr3 n LYS 258 Cb 0.42 -2.61 -0.13 0.00 -0.02 0.00 0.00 35.03 32.69 2wr3 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr3 s ILE 259 N 2.18 0.02 -0.01 -0.18 2.07 -0.64 -1.47 121.20 123.17 2wr3 s ILE 259 Ca 0.84 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.83 2wr3 s ILE 259 Cb -0.67 -0.08 0.00 0.00 0.13 0.00 0.00 42.46 41.85 2wr3 s ILE 259 CO 0.43 -0.11 0.09 -0.44 -1.91 0.00 0.00 174.94 172.99 2wr3 s SER 260 N -0.33 0.01 -0.02 4.50 0.01 -0.76 -3.86 113.70 113.25 2wr3 s SER 260 Ca -0.04 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2wr3 s SER 260 Cb -0.02 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.42 2wr3 s SER 260 CO -0.00 -0.20 0.01 -0.54 0.41 0.00 0.00 173.24 172.92 2wr3 s LYS 261 N -0.74 0.11 0.00 12.44 1.02 -1.26 0.18 119.74 131.48 2wr3 s LYS 261 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2wr3 s LYS 261 Cb -0.05 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 2wr3 s LYS 261 CO 0.00 -0.13 0.30 2.89 -0.92 0.00 0.00 175.35 177.50 2wr3 n ARG 262 N 4.00 0.00 0.00 1.68 -4.01 -1.26 -4.95 116.66 112.12 2wr3 n ARG 262 Ca -0.25 0.07 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 2wr3 n ARG 262 Cb 0.52 -0.83 0.00 0.00 -3.04 0.00 0.00 32.46 29.10 2wr3 n ARG 262 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2wr3 n GLY 263 N 0.83 5.35 3.53 2.89 0.00 -1.26 -5.14 105.19 111.39 2wr3 n GLY 263 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 2wr3 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr3 s SER 264 N 1.00 3.63 0.00 1.61 0.01 -1.26 -4.66 113.70 114.03 2wr3 s SER 264 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2wr3 s SER 264 Cb 0.00 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2wr3 s SER 264 CO 0.00 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.22 2wr3 n SER 265 N -0.76 0.23 -3.85 2.44 2.88 -1.26 -4.93 113.62 108.37 2wr3 n SER 265 Ca -0.05 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.38 2wr3 n SER 265 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 2wr3 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr3 s GLY 266 N 0.00 0.94 -0.17 0.46 0.00 -1.26 -4.78 107.32 102.51 2wr3 s GLY 266 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.44 2wr3 s GLY 266 CO 0.00 -0.86 0.11 -0.42 0.00 0.00 0.00 173.10 171.93 2wr3 s ILE 267 N -3.79 5.25 -0.33 0.90 1.01 -1.26 -2.58 121.20 120.40 2wr3 s ILE 267 Ca 0.28 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 2wr3 s ILE 267 Cb 0.01 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2wr3 s ILE 267 CO 0.12 0.50 0.15 -0.32 0.00 0.00 0.00 174.94 175.39 2wr3 s MET 268 N -0.06 3.04 -0.36 2.79 -2.45 0.20 -4.89 119.30 117.56 2wr3 s MET 268 Ca 0.09 -0.92 -0.28 0.00 -1.25 0.00 0.00 55.69 53.33 2wr3 s MET 268 Cb -0.12 -3.56 0.02 0.00 1.25 0.00 0.00 34.83 32.42 2wr3 s MET 268 CO 0.00 -0.54 1.03 0.15 1.05 0.00 0.00 175.02 176.71 2wr3 s LYS 269 N 1.54 3.93 0.13 4.11 3.01 -1.25 -2.57 119.74 128.64 2wr3 s LYS 269 Ca 0.03 0.81 -0.25 0.00 -1.01 0.00 0.00 55.97 55.55 2wr3 s LYS 269 Cb -0.18 -3.79 0.07 0.00 -1.01 0.00 0.00 37.83 32.92 2wr3 s LYS 269 CO 0.05 -1.00 0.86 -0.08 0.51 0.00 0.00 175.35 175.69 2wr3 s THR 270 N 3.72 0.00 -0.16 2.17 -1.32 -0.94 -4.81 115.64 114.30 2wr3 s THR 270 Ca 0.43 -0.44 0.11 0.00 -1.21 0.00 0.00 61.69 60.58 2wr3 s THR 270 Cb -0.11 -1.59 -0.18 0.00 -1.51 0.00 0.00 72.50 69.11 2wr3 s THR 270 CO 0.19 0.00 0.01 -0.62 -2.21 0.00 0.00 174.62 171.99 2wr3 n GLU 271 N -0.39 1.27 -0.98 7.08 -0.58 -1.26 -4.12 120.64 121.65 2wr3 n GLU 271 Ca -0.08 0.02 -0.35 0.00 -0.42 0.00 0.00 57.16 56.33 2wr3 n GLU 271 Cb 0.61 -1.40 0.08 0.00 -0.57 0.00 0.00 31.44 30.16 2wr3 n GLU 271 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wr3 n LYS 272 N -2.68 -0.06 -4.31 3.49 5.02 -1.26 -5.03 118.16 113.33 2wr3 n LYS 272 Ca -0.27 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.78 2wr3 n LYS 272 Cb 0.98 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.36 2wr3 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr3 s THR 273 N -2.14 1.83 0.23 -0.18 -4.23 -1.26 -5.04 115.64 104.85 2wr3 s THR 273 Ca 0.53 -1.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 2wr3 s THR 273 Cb -0.25 -1.66 -0.15 0.00 1.34 0.00 0.00 72.50 71.78 2wr3 s THR 273 CO 0.71 -0.04 0.99 -0.11 -0.54 0.00 0.00 174.62 175.63 2wr3 n LEU 274 N 1.02 1.23 -0.16 4.79 0.00 -1.26 -4.47 117.00 118.15 2wr3 n LEU 274 Ca -0.19 1.16 0.02 0.00 0.00 0.00 0.00 56.01 57.00 2wr3 n LEU 274 Cb 0.54 -1.21 0.03 0.00 0.00 0.00 0.00 43.42 42.78 2wr3 n LEU 274 CO 0.23 -1.61 0.38 1.21 0.00 0.00 0.00 177.39 177.59 2wr3 n GLU 275 N 1.11 0.92 -2.43 1.96 2.13 0.12 -4.97 120.64 119.48 2wr3 n GLU 275 Ca 0.13 -1.33 -0.08 0.00 0.66 0.00 0.00 57.16 56.53 2wr3 n GLU 275 Cb 0.28 -0.83 0.04 0.00 0.27 0.00 0.00 31.44 31.19 2wr3 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr3 n ASN 276 N -0.44 -4.42 0.00 4.31 5.15 -1.26 -4.97 115.26 113.63 2wr3 n ASN 276 Ca 0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 2wr3 n ASN 276 Cb 0.54 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.80 2wr3 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr3 s GLU 278 N 4.53 0.82 0.13 0.00 2.56 -1.26 -3.99 118.70 121.49 2wr3 s GLU 278 Ca 0.00 0.78 -0.15 0.00 0.00 0.00 0.00 54.97 55.59 2wr3 s GLU 278 Cb 0.00 0.39 0.03 0.00 2.00 0.00 0.00 34.13 36.55 2wr3 s GLU 278 CO 0.00 -0.14 0.39 0.95 -0.56 0.00 0.00 175.26 175.90 2wr3 s THR 279 N 0.03 0.07 -1.52 -1.70 -4.23 -0.97 -4.91 115.64 102.40 2wr3 s THR 279 Ca -0.01 -0.71 0.24 0.00 -1.18 0.00 0.00 61.69 60.03 2wr3 s THR 279 Cb -0.04 -1.27 0.06 0.00 1.34 0.00 0.00 72.50 72.59 2wr3 s THR 279 CO 0.01 -0.32 1.31 2.29 -0.54 0.00 0.00 174.62 177.37 2wr3 n LYS 280 N -0.22 0.59 -3.60 3.99 0.00 -1.26 -2.06 118.16 115.59 2wr3 n LYS 280 Ca -0.15 -0.41 -0.10 0.00 -0.00 0.00 0.00 58.31 57.66 2wr3 n LYS 280 Cb 0.63 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 34.07 2wr3 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr3 s GLN 282 N 2.56 2.34 0.25 0.00 2.00 -0.03 -1.05 119.66 125.73 2wr3 s GLN 282 Ca 0.01 -0.80 0.06 0.00 -2.00 0.00 0.00 55.36 52.64 2wr3 s GLN 282 Cb -0.13 -2.23 -0.05 0.00 0.80 0.00 0.00 33.01 31.40 2wr3 s GLN 282 CO -0.12 0.58 -0.07 0.95 -0.50 0.00 0.00 175.29 176.13 2wr3 s THR 283 N -0.65 1.58 -0.72 -0.34 -4.23 0.06 -0.33 115.64 111.01 2wr3 s THR 283 Ca 0.10 -2.13 0.13 0.00 -1.18 0.00 0.00 61.69 58.62 2wr3 s THR 283 Cb -0.10 -2.34 0.13 0.00 1.34 0.00 0.00 72.50 71.53 2wr3 s THR 283 CO -0.00 -0.38 1.42 -2.65 -0.54 0.00 0.00 174.62 172.47 2wr3 n PRO 284 N -0.51 0.07 0.00 3.99 -0.02 -1.26 -2.05 135.00 135.22 2wr3 n PRO 284 Ca -0.06 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2wr3 n PRO 284 Cb 0.63 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 2wr3 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr3 n LEU 285 N -1.82 0.18 0.00 2.45 4.77 -1.26 -4.89 117.00 116.43 2wr3 n LEU 285 Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2wr3 n LEU 285 Cb 0.10 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2wr3 n LEU 285 CO 0.10 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2wr3 n GLY 286 N 1.31 -2.61 3.91 -0.72 0.00 -0.87 -3.96 105.19 102.24 2wr3 n GLY 286 Ca -0.07 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 2wr3 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 s ALA 287 N -1.82 3.38 -0.13 4.61 0.00 -1.00 -0.76 121.76 126.05 2wr3 s ALA 287 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2wr3 s ALA 287 Cb 0.00 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.55 2wr3 s ALA 287 CO 0.00 -0.49 -0.18 0.42 0.00 0.00 0.00 175.76 175.51 2wr3 s ILE 288 N -2.82 1.74 -0.23 0.00 1.09 -0.22 -1.96 121.20 118.81 2wr3 s ILE 288 Ca 0.49 -0.78 -0.04 0.00 -1.10 0.00 0.00 60.65 59.22 2wr3 s ILE 288 Cb -0.10 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.72 2wr3 s ILE 288 CO 0.45 0.49 -0.02 0.21 -0.10 0.00 0.00 174.94 175.97 2wr3 s ASN 289 N 1.00 4.48 0.04 3.58 2.47 -1.26 -4.24 114.94 121.01 2wr3 s ASN 289 Ca -0.05 -0.45 -0.27 0.00 0.42 0.00 0.00 52.86 52.51 2wr3 s ASN 289 Cb -0.15 -1.77 0.08 0.00 -1.45 0.00 0.00 41.25 37.97 2wr3 s ASN 289 CO -0.03 -0.05 0.70 0.28 -3.72 0.00 0.00 177.10 174.28 2wr3 s THR 290 N 1.48 0.00 -0.18 -5.21 -1.32 -1.26 -5.00 115.64 104.16 2wr3 s THR 290 Ca 0.05 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.71 2wr3 s THR 290 Cb -0.15 -1.00 -0.26 0.00 -1.51 0.00 0.00 72.50 69.58 2wr3 s THR 290 CO -0.02 0.00 0.47 0.35 -2.21 0.00 0.00 174.62 173.20 2wr3 n THR 291 N 0.15 0.00 -1.59 5.08 -2.24 -1.26 -5.03 114.28 109.39 2wr3 n THR 291 Ca -0.16 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 2wr3 n THR 291 Cb 0.61 0.26 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 2wr3 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wr3 s LEU 292 N -3.98 3.34 0.26 3.22 1.43 -1.26 -4.95 118.68 116.74 2wr3 s LEU 292 Ca -0.04 2.14 0.24 0.00 -1.03 0.00 0.00 54.13 55.44 2wr3 s LEU 292 Cb 0.12 -4.57 0.34 0.00 0.03 0.00 0.00 46.19 42.11 2wr3 s LEU 292 CO 0.75 -1.93 1.42 1.55 0.23 0.00 0.00 176.35 178.38 2wr3 h PRO 293 N -0.17 0.00 -5.61 1.29 0.14 -1.86 -3.43 132.00 122.36 2wr3 h PRO 293 Ca -0.47 0.00 -0.46 0.00 0.14 0.00 0.00 66.00 65.21 2wr3 h PRO 293 Cb 1.27 0.00 -0.20 0.00 0.14 0.00 0.00 31.00 32.20 2wr3 h PRO 293 CO 0.52 0.00 -0.78 -0.06 0.14 0.00 0.00 178.00 177.82 2wr3 s PHE 294 N -3.22 1.46 0.08 1.56 0.08 -1.23 -0.59 117.98 116.11 2wr3 s PHE 294 Ca 0.05 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.54 2wr3 s PHE 294 Cb 0.09 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.75 2wr3 s PHE 294 CO 0.70 0.14 0.18 -3.38 -0.10 0.00 0.00 175.22 172.76 2wr3 s HIS 295 N -1.60 0.16 -0.06 0.36 -3.43 -0.27 0.88 115.29 111.33 2wr3 s HIS 295 Ca 0.05 -0.57 0.09 0.00 -0.80 0.00 0.00 55.06 53.83 2wr3 s HIS 295 Cb -0.08 -0.07 0.15 0.00 -1.43 0.00 0.00 32.58 31.15 2wr3 s HIS 295 CO 0.03 -0.52 1.08 0.27 -2.00 0.00 0.00 174.74 173.60 2wr3 n ASN 296 N 0.03 1.02 -0.13 7.38 0.23 -0.99 -1.00 115.26 121.81 2wr3 n ASN 296 Ca -0.15 -2.49 -0.11 0.00 -0.53 0.00 0.00 54.58 51.29 2wr3 n ASN 296 Cb 0.62 -0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 2wr3 n ASN 296 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wr3 h ILE 297 N 4.09 1.27 0.00 1.53 2.04 -1.90 -3.47 117.51 121.07 2wr3 h ILE 297 Ca -0.01 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2wr3 h ILE 297 Cb 1.26 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2wr3 h ILE 297 CO 0.01 0.36 0.00 1.57 0.00 0.00 0.00 178.15 180.08 2wr3 n HIS 298 N -4.43 0.00 0.08 1.37 -0.00 -1.26 -5.02 115.22 105.96 2wr3 n HIS 298 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.73 2wr3 n HIS 298 Cb 0.31 0.00 0.37 0.00 -0.00 0.00 0.00 29.99 30.67 2wr3 n HIS 298 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wr3 h PRO 299 N 0.00 0.34 -3.33 1.57 0.13 -1.98 -3.38 132.00 125.36 2wr3 h PRO 299 Ca 0.00 -0.07 -0.73 0.00 -0.87 0.00 0.00 66.00 64.34 2wr3 h PRO 299 Cb 0.00 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 30.99 2wr3 h PRO 299 CO 0.00 0.41 2.73 1.28 -0.23 0.00 0.00 178.00 182.20 2wr3 n LEU 300 N -4.30 7.42 -4.93 1.56 4.77 -1.26 -4.85 117.00 115.41 2wr3 n LEU 300 Ca 0.00 -4.53 -0.25 0.00 -0.03 0.00 0.00 56.01 51.21 2wr3 n LEU 300 Cb 0.24 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 39.81 2wr3 n LEU 300 CO 0.38 1.60 0.24 0.42 -1.33 0.00 0.00 177.39 178.69 2wr3 s THR 301 N 1.06 5.06 -0.07 -5.08 -4.23 -1.26 -4.23 115.64 106.88 2wr3 s THR 301 Ca 0.50 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2wr3 s THR 301 Cb 0.14 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.14 2wr3 s THR 301 CO -0.05 -0.62 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.68 2wr3 s ILE 302 N -2.41 0.98 -1.39 2.99 1.01 0.55 -4.01 121.20 118.92 2wr3 s ILE 302 Ca 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2wr3 s ILE 302 Cb -0.10 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2wr3 s ILE 302 CO 0.38 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.26 2wr3 n GLY 303 N 4.10 0.66 3.42 6.18 0.00 -0.56 -0.85 105.19 118.13 2wr3 n GLY 303 Ca -0.21 -2.16 -0.44 0.00 0.00 0.00 0.00 46.02 43.21 2wr3 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr3 s GLU 304 N -0.56 3.09 0.22 1.61 2.02 -0.38 -1.77 118.70 122.94 2wr3 s GLU 304 Ca 0.00 -1.05 0.12 0.00 0.02 0.00 0.00 54.97 54.05 2wr3 s GLU 304 Cb 0.00 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 2wr3 s GLU 304 CO 0.00 -1.47 -0.23 0.00 0.02 0.00 0.00 175.26 173.58 2wr3 s PRO 306 N -2.93 0.93 0.14 0.00 0.02 -1.26 -4.90 135.00 126.99 2wr3 s PRO 306 Ca 0.24 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 2wr3 s PRO 306 Cb -0.07 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2wr3 s PRO 306 CO 0.11 -2.56 1.23 0.21 -0.33 0.00 0.00 177.00 175.67 2wr3 s LYS 307 N -4.74 4.44 -0.07 5.54 2.47 0.24 -4.68 119.74 122.94 2wr3 s LYS 307 Ca 0.65 1.89 -0.28 0.00 -1.56 0.00 0.00 55.97 56.66 2wr3 s LYS 307 Cb -0.21 -3.27 -0.02 0.00 -1.46 0.00 0.00 37.83 32.87 2wr3 s LYS 307 CO 0.59 -0.19 0.94 -0.47 0.16 0.00 0.00 175.35 176.37 2wr3 s TYR 308 N 0.42 3.56 0.05 4.03 5.04 -1.26 -1.12 117.35 128.07 2wr3 s TYR 308 Ca 0.56 1.54 0.08 0.00 -2.44 0.00 0.00 57.07 56.81 2wr3 s TYR 308 Cb -0.33 -3.09 -0.03 0.00 0.35 0.00 0.00 41.96 38.87 2wr3 s TYR 308 CO 0.34 -0.11 -0.22 0.08 -1.34 0.00 0.00 175.55 174.30 2wr3 s VAL 309 N 1.53 1.77 -1.00 3.14 1.01 -0.17 -4.78 120.40 121.90 2wr3 s VAL 309 Ca 0.47 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2wr3 s VAL 309 Cb -0.19 -1.53 0.19 0.00 0.00 0.00 0.00 36.38 34.85 2wr3 s VAL 309 CO 0.21 0.23 0.85 1.17 0.00 0.00 0.00 175.10 177.55 2wr3 n LYS 310 N 1.80 1.85 -4.14 2.72 4.81 -1.26 -4.53 118.16 119.41 2wr3 n LYS 310 Ca -0.17 -0.73 -0.23 0.00 -0.87 0.00 0.00 58.31 56.30 2wr3 n LYS 310 Cb 0.53 -1.60 -0.07 0.00 0.02 0.00 0.00 35.03 33.91 2wr3 n LYS 310 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wr3 s SER 311 N -0.31 4.56 -0.02 3.14 0.15 -1.26 -5.07 113.70 114.89 2wr3 s SER 311 Ca 0.13 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 55.95 2wr3 s SER 311 Cb 0.09 -0.66 0.03 0.00 -1.71 0.00 0.00 66.02 63.78 2wr3 s SER 311 CO 0.04 -0.32 1.00 -0.90 1.20 0.00 0.00 173.24 174.26 2wr3 n ASP 312 N -1.13 0.29 -3.66 5.45 5.68 -1.26 -4.73 116.55 117.19 2wr3 n ASP 312 Ca -0.03 -2.10 -0.07 0.00 -0.50 0.00 0.00 54.79 52.10 2wr3 n ASP 312 Cb 0.62 -0.22 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 2wr3 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr3 s ARG 313 N -0.35 0.45 -0.54 0.11 0.52 -1.26 -5.10 118.95 112.77 2wr3 s ARG 313 Ca 0.04 1.11 0.04 0.00 -0.52 0.00 0.00 55.73 56.40 2wr3 s ARG 313 Cb 0.03 0.36 0.16 0.00 0.52 0.00 0.00 34.95 36.03 2wr3 s ARG 313 CO 0.00 -0.21 0.38 -0.51 0.02 0.00 0.00 175.30 174.99 2wr3 s LEU 314 N 2.31 3.12 -0.36 2.53 1.43 -1.26 -5.03 118.68 121.42 2wr3 s LEU 314 Ca -0.05 -3.29 -0.13 0.00 -1.03 0.00 0.00 54.13 49.63 2wr3 s LEU 314 Cb -0.10 -1.07 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 2wr3 s LEU 314 CO -0.15 -0.16 0.24 -0.69 0.23 0.00 0.00 176.35 175.83 2wr3 s VAL 315 N -0.50 5.16 -0.11 -1.59 1.01 -1.26 -1.67 120.40 121.44 2wr3 s VAL 315 Ca 0.26 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2wr3 s VAL 315 Cb -0.06 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wr3 s VAL 315 CO -0.14 -0.09 0.78 -0.76 0.00 0.00 0.00 175.10 174.89 2wr3 s LEU 316 N 1.69 4.25 0.27 3.92 1.02 -0.22 -4.69 118.68 124.92 2wr3 s LEU 316 Ca 0.05 1.21 -0.29 0.00 0.02 0.00 0.00 54.13 55.12 2wr3 s LEU 316 Cb -0.18 -3.18 -0.10 0.00 0.02 0.00 0.00 46.19 42.75 2wr3 s LEU 316 CO 0.10 -0.26 1.29 0.00 0.02 0.00 0.00 176.35 177.50 2wr3 s ALA 317 N 1.46 3.51 0.00 4.21 0.00 -1.26 -0.95 121.76 128.73 2wr3 s ALA 317 Ca 0.39 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2wr3 s ALA 317 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2wr3 s ALA 317 CO 0.16 -0.55 0.00 0.25 0.00 0.00 0.00 175.76 175.63 2wr3 n THR 318 N 1.63 0.00 -0.44 0.00 -2.24 -0.42 -4.86 114.28 107.95 2wr3 n THR 318 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2wr3 n THR 318 Cb 0.42 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2wr3 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 319 N 3.38 0.15 3.67 3.38 0.00 0.06 -4.90 105.19 110.94 2wr3 n GLY 319 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 2wr3 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr3 s LEU 320 N 0.00 2.87 0.17 0.99 0.05 -1.26 -4.66 118.68 116.84 2wr3 s LEU 320 Ca 0.00 -1.33 -0.32 0.00 0.05 0.00 0.00 54.13 52.52 2wr3 s LEU 320 Cb 0.00 -1.01 -0.12 0.00 -2.05 0.00 0.00 46.19 43.01 2wr3 s LEU 320 CO 0.00 -0.53 1.73 -1.14 -0.55 0.00 0.00 176.35 175.86 2wr3 n ARG 321 N -1.08 2.66 -3.30 1.48 0.63 -1.26 -0.08 116.66 115.71 2wr3 n ARG 321 Ca -0.06 0.96 -0.42 0.00 -0.92 0.00 0.00 57.85 57.41 2wr3 n ARG 321 Cb 0.66 -2.81 -0.08 0.00 0.45 0.00 0.00 32.46 30.68 2wr3 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr3 s ASN 322 N 1.56 6.23 -0.30 6.15 2.47 -0.93 -4.80 114.94 125.32 2wr3 s ASN 322 Ca 0.78 -0.44 0.02 0.00 0.42 0.00 0.00 52.86 53.64 2wr3 s ASN 322 Cb -0.54 -2.24 0.08 0.00 -1.45 0.00 0.00 41.25 37.11 2wr3 s ASN 322 CO 0.35 -0.54 0.01 -0.69 -3.72 0.00 0.00 177.10 172.51 2wr3 s VAL 323 N 2.24 1.83 -0.55 -5.21 1.01 -1.26 -4.84 120.40 113.63 2wr3 s VAL 323 Ca 0.14 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.34 2wr3 s VAL 323 Cb -0.16 -2.23 0.19 0.00 0.00 0.00 0.00 36.38 34.17 2wr3 s VAL 323 CO 0.14 -0.41 0.96 -2.65 0.00 0.00 0.00 175.10 173.14 2wr3 n PRO 324 N 4.49 1.70 0.00 2.72 -0.02 -1.26 -1.16 135.00 141.47 2wr3 n PRO 324 Ca -0.03 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.69 2wr3 n PRO 324 Cb 0.42 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wr3 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr3 n GLY 330 N 0.13 1.50 0.11 -1.23 0.00 -0.78 -4.52 105.19 100.40 2wr3 n GLY 330 Ca 0.10 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2wr3 n GLY 330 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wr3 n LEU 331 N 0.00 0.56 -0.02 0.99 7.94 -1.26 -2.74 117.00 122.46 2wr3 n LEU 331 Ca 0.00 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 2wr3 n LEU 331 Cb 0.00 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2wr3 n LEU 331 CO 0.00 -0.52 0.41 0.49 -1.11 0.00 0.00 177.39 176.66 2wr3 n PHE 332 N -2.13 0.01 -0.03 1.96 3.01 -1.26 -5.01 117.46 114.01 2wr3 n PHE 332 Ca 0.02 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.17 2wr3 n PHE 332 Cb 0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2wr3 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr3 n GLY 333 N -0.27 2.76 0.01 1.37 0.00 -1.11 -4.89 105.19 103.06 2wr3 n GLY 333 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wr3 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 h ALA 334 N 0.00 0.00 -2.58 4.61 0.00 -1.86 0.38 119.26 119.81 2wr3 h ALA 334 Ca 0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 2wr3 h ALA 334 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wr3 h ALA 334 CO 0.00 0.01 0.69 0.42 0.00 0.00 0.00 179.25 180.38 2wr3 s ILE 335 N -1.08 3.31 -1.54 0.00 1.01 -1.26 -1.71 121.20 119.93 2wr3 s ILE 335 Ca -0.00 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 2wr3 s ILE 335 Cb 0.00 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2wr3 s ILE 335 CO 0.01 0.10 0.07 0.00 0.00 0.00 0.00 174.94 175.11 2wr3 n ALA 336 N 3.55 -1.99 -2.24 9.38 0.00 -1.18 -1.87 120.51 126.16 2wr3 n ALA 336 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2wr3 n ALA 336 Cb 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wr3 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr3 n GLY 337 N -2.48 4.29 0.27 0.00 0.00 -0.69 -4.43 105.19 102.14 2wr3 n GLY 337 Ca -0.32 -0.51 0.18 0.00 0.00 0.00 0.00 46.02 45.37 2wr3 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr3 h PHE 338 N 0.00 0.00 -3.44 1.61 -5.15 -0.25 -3.27 116.94 106.43 2wr3 h PHE 338 Ca 0.00 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.07 2wr3 h PHE 338 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 35.95 35.84 2wr3 h PHE 338 CO 0.00 0.00 -0.51 0.42 -2.00 0.00 0.00 178.31 176.22 2wr3 s ILE 339 N -3.74 3.57 -0.34 0.88 1.01 -1.02 -3.68 121.20 117.88 2wr3 s ILE 339 Ca -0.00 -1.95 0.20 0.00 0.00 0.00 0.00 60.65 58.90 2wr3 s ILE 339 Cb 0.10 -3.40 0.23 0.00 0.01 0.00 0.00 42.46 39.40 2wr3 s ILE 339 CO 0.46 -0.70 1.53 1.05 0.00 0.00 0.00 174.94 177.29 2wr3 h GLU 340 N 8.17 0.00 -4.93 2.79 4.11 -1.80 -3.11 114.58 119.81 2wr3 h GLU 340 Ca -0.16 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.97 2wr3 h GLU 340 Cb 1.06 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.14 2wr3 h GLU 340 CO 0.74 0.17 -0.72 0.20 0.07 0.00 0.00 179.01 179.47 2wr3 s GLY 341 N -4.30 0.87 0.19 1.06 0.00 -1.26 -4.45 107.32 99.42 2wr3 s GLY 341 Ca 0.06 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 2wr3 s GLY 341 CO 0.70 -1.34 0.44 -0.32 0.00 0.00 0.00 173.10 172.58 2wr3 s GLY 342 N -2.65 2.16 -0.53 0.20 0.00 -0.30 -4.70 107.32 101.49 2wr3 s GLY 342 Ca 0.08 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.10 2wr3 s GLY 342 CO -0.01 -0.42 0.60 -0.98 0.00 0.00 0.00 173.10 172.30 2wr3 s TRP 343 N -1.77 3.08 0.36 1.90 0.51 -0.23 -4.80 118.94 117.99 2wr3 s TRP 343 Ca 0.43 -0.78 0.17 0.00 -2.12 0.00 0.00 56.10 53.80 2wr3 s TRP 343 Cb -0.12 -3.64 1.11 0.00 -0.81 0.00 0.00 33.47 30.01 2wr3 s TRP 343 CO 0.25 -1.08 1.69 1.96 -0.51 0.00 0.00 176.95 179.26 2wr3 h GLN 344 N 9.01 0.34 -0.02 4.98 1.08 -1.87 -3.14 115.11 125.49 2wr3 h GLN 344 Ca -0.28 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 56.91 2wr3 h GLN 344 Cb 1.10 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.41 2wr3 h GLN 344 CO 1.00 0.23 -0.38 0.78 -0.95 0.00 0.00 178.83 179.50 2wr3 h GLY 345 N 0.35 -1.21 -5.28 3.46 0.00 -1.90 -3.42 103.07 95.08 2wr3 h GLY 345 Ca 0.70 0.65 -0.56 0.00 0.00 0.00 0.00 47.33 48.13 2wr3 h GLY 345 CO -0.49 -0.32 0.99 -0.29 0.00 0.00 0.00 176.54 176.43 2wr3 s MET 346 N -4.93 4.17 -0.09 4.80 -2.45 -1.19 -4.92 119.30 114.71 2wr3 s MET 346 Ca -0.11 1.83 0.20 0.00 -1.25 0.00 0.00 55.69 56.36 2wr3 s MET 346 Cb 0.05 -3.86 0.43 0.00 1.25 0.00 0.00 34.83 32.69 2wr3 s MET 346 CO 0.43 -0.81 1.19 1.33 1.05 0.00 0.00 175.02 178.21 2wr3 n VAL 347 N 5.51 0.89 -1.02 10.11 0.24 -1.26 -4.72 118.33 128.08 2wr3 n VAL 347 Ca 0.15 -1.91 0.04 0.00 -2.04 0.00 0.00 64.34 60.58 2wr3 n VAL 347 Cb 0.44 0.51 0.06 0.00 -1.47 0.00 0.00 33.84 33.38 2wr3 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr3 n ASP 348 N -0.15 1.45 -3.61 -1.34 5.75 -1.26 -5.08 116.55 112.32 2wr3 n ASP 348 Ca 0.11 -2.33 -0.02 0.00 -0.01 0.00 0.00 54.79 52.54 2wr3 n ASP 348 Cb 0.97 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2wr3 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr3 s GLY 349 N -1.67 -0.15 -0.10 6.12 0.00 -1.26 -4.92 107.32 105.34 2wr3 s GLY 349 Ca 0.13 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 2wr3 s GLY 349 CO 0.01 1.07 0.47 1.49 0.00 0.00 0.00 173.10 176.14 2wr3 h TRP 350 N 2.00 0.51 -2.79 1.90 6.55 -1.90 -3.42 115.95 118.81 2wr3 h TRP 350 Ca -0.26 -0.37 -0.52 0.00 0.95 0.00 0.00 58.89 58.68 2wr3 h TRP 350 Cb 1.22 -0.02 -0.15 0.00 -0.86 0.00 0.00 29.16 29.35 2wr3 h TRP 350 CO 0.73 1.71 -0.76 0.71 -1.05 0.00 0.00 178.44 179.78 2wr3 s TYR 351 N -2.54 1.94 -0.12 0.49 1.51 -1.26 0.48 117.35 117.85 2wr3 s TYR 351 Ca -0.21 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 2wr3 s TYR 351 Cb 0.06 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 2wr3 s TYR 351 CO 0.78 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 176.10 2wr3 n GLY 352 N -0.27 -0.61 3.16 0.71 0.00 -0.83 -1.60 105.19 105.76 2wr3 n GLY 352 Ca -0.08 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 2wr3 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr3 s TYR 353 N -3.19 1.21 -0.07 1.61 1.51 0.90 0.25 117.35 119.56 2wr3 s TYR 353 Ca 0.00 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2wr3 s TYR 353 Cb 0.00 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2wr3 s TYR 353 CO 0.00 0.05 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.67 2wr3 s HIS 354 N -1.18 2.50 -0.07 2.71 2.46 0.04 -0.05 115.29 121.71 2wr3 s HIS 354 Ca -0.01 -0.80 0.04 0.00 0.47 0.00 0.00 55.06 54.75 2wr3 s HIS 354 Cb -0.09 -1.65 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2wr3 s HIS 354 CO 0.02 -0.27 -0.18 -3.38 -2.47 0.00 0.00 174.74 168.46 2wr3 s HIS 355 N 0.00 1.91 -0.29 3.88 -3.43 -1.13 -0.27 115.29 115.96 2wr3 s HIS 355 Ca -0.08 -0.67 -0.17 0.00 -0.80 0.00 0.00 55.06 53.33 2wr3 s HIS 355 Cb -0.15 -1.31 -0.02 0.00 -1.43 0.00 0.00 32.58 29.67 2wr3 s HIS 355 CO 0.05 -0.27 0.47 0.45 -2.00 0.00 0.00 174.74 173.44 2wr3 s SER 356 N 0.31 6.35 0.17 7.38 0.15 0.12 -4.46 113.70 123.73 2wr3 s SER 356 Ca -0.12 0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.87 2wr3 s SER 356 Cb -0.15 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2wr3 s SER 356 CO 0.05 -0.31 0.19 -3.20 1.20 0.00 0.00 173.24 171.17 2wr3 n ASN 357 N 5.53 -0.51 0.05 5.45 5.15 -1.26 -3.09 115.26 126.59 2wr3 n ASN 357 Ca -0.05 -2.03 -0.22 0.00 -0.60 0.00 0.00 54.58 51.67 2wr3 n ASN 357 Cb 0.50 1.04 -0.15 0.00 -0.53 0.00 0.00 39.78 40.64 2wr3 n ASN 357 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2wr3 h ASP 358 N 1.01 0.56 0.00 1.20 3.32 -1.96 -3.46 116.42 117.09 2wr3 h ASP 358 Ca -0.13 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 55.98 2wr3 h ASP 358 Cb 0.60 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2wr3 h ASP 358 CO 0.18 1.81 0.00 0.00 -1.72 0.00 0.00 179.24 179.51 2wr3 n GLN 359 N -3.56 0.00 -1.07 3.56 3.00 -1.26 -5.06 117.38 112.99 2wr3 n GLN 359 Ca -0.27 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.42 2wr3 n GLN 359 Cb 1.07 0.00 0.25 0.00 0.00 0.00 0.00 30.24 31.56 2wr3 n GLN 359 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2wr3 s GLY 360 N 0.00 1.59 0.00 1.08 0.00 -1.26 -5.08 107.32 103.65 2wr3 s GLY 360 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2wr3 s GLY 360 CO 0.00 -0.12 0.00 -1.14 0.00 0.00 0.00 173.10 171.84 2wr3 n SER 361 N -4.86 0.00 0.00 1.64 3.41 -1.26 -4.10 113.62 108.46 2wr3 n SER 361 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2wr3 n SER 361 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2wr3 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 362 N 0.00 -0.16 2.90 5.00 0.00 -1.26 -5.02 105.19 106.65 2wr3 n GLY 362 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 2wr3 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr3 s TYR 363 N 0.00 1.96 -0.20 1.61 1.51 -1.26 -2.86 117.35 118.11 2wr3 s TYR 363 Ca 0.00 -1.36 0.01 0.00 -1.01 0.00 0.00 57.07 54.71 2wr3 s TYR 363 Cb 0.00 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2wr3 s TYR 363 CO 0.00 -0.69 -0.16 0.00 -1.11 0.00 0.00 175.55 173.60 2wr3 s ALA 364 N 1.54 2.45 0.78 3.71 0.00 0.93 -4.96 121.76 126.22 2wr3 s ALA 364 Ca -0.02 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 2wr3 s ALA 364 Cb -0.17 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.67 2wr3 s ALA 364 CO -0.07 -0.55 1.17 0.00 0.00 0.00 0.00 175.76 176.30 2wr3 s ALA 365 N 1.28 1.99 -0.56 0.00 0.00 -1.26 -0.07 121.76 123.13 2wr3 s ALA 365 Ca 0.02 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 2wr3 s ALA 365 Cb -0.15 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.69 2wr3 s ALA 365 CO -0.10 -2.06 0.39 0.34 0.00 0.00 0.00 175.76 174.33 2wr3 s ASP 366 N -2.44 5.46 0.21 0.00 2.15 -0.63 -4.79 116.67 116.63 2wr3 s ASP 366 Ca 0.70 -2.46 -0.10 0.00 0.43 0.00 0.00 52.55 51.12 2wr3 s ASP 366 Cb -0.25 -1.91 0.16 0.00 -0.30 0.00 0.00 42.92 40.62 2wr3 s ASP 366 CO 0.50 -0.49 1.88 0.07 -0.17 0.00 0.00 175.17 176.96 2wr3 h LYS 367 N 7.62 0.99 -0.61 4.34 2.10 -1.92 -1.74 116.57 127.35 2wr3 h LYS 367 Ca -0.07 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.42 2wr3 h LYS 367 Cb 1.01 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 2wr3 h LYS 367 CO 0.74 0.66 -0.01 1.49 -2.00 0.00 0.00 179.45 180.33 2wr3 h GLU 368 N 1.02 1.08 0.02 0.07 4.22 -1.98 -0.15 114.58 118.86 2wr3 h GLU 368 Ca 0.28 -0.35 -0.05 0.00 0.08 0.00 0.00 59.36 59.32 2wr3 h GLU 368 Cb -0.12 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.04 2wr3 h GLU 368 CO -0.06 1.05 -0.22 1.03 -2.18 0.00 0.00 179.01 178.63 2wr3 h SER 369 N 0.98 0.16 -1.00 1.04 0.87 -1.93 -2.97 113.55 110.70 2wr3 h SER 369 Ca 0.17 -0.88 0.20 0.00 -1.23 0.00 0.00 61.79 60.06 2wr3 h SER 369 Cb 0.57 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 62.38 2wr3 h SER 369 CO 0.03 1.02 0.61 0.74 -0.53 0.00 0.00 176.83 178.71 2wr3 h THR 370 N -0.68 0.68 -0.23 2.23 2.02 -1.28 -1.77 112.91 113.88 2wr3 h THR 370 Ca -0.03 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 2wr3 h THR 370 Cb 1.07 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2wr3 h THR 370 CO 0.04 0.13 -0.56 -0.61 0.37 0.00 0.00 175.52 174.89 2wr3 h GLN 371 N 0.69 0.70 0.00 6.66 5.75 -1.07 -1.51 115.11 126.33 2wr3 h GLN 371 Ca 0.57 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2wr3 h GLN 371 Cb 1.00 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.60 2wr3 h GLN 371 CO -0.36 1.07 0.00 -0.22 -2.65 0.00 0.00 178.83 176.67 2wr3 h LYS 372 N 0.53 0.00 0.13 1.69 3.11 -1.16 -0.98 116.57 119.89 2wr3 h LYS 372 Ca 0.01 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.51 2wr3 h LYS 372 Cb 1.14 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 2wr3 h LYS 372 CO 0.11 0.00 -1.76 0.00 -2.81 0.00 0.00 179.45 175.00 2wr3 h ALA 373 N 2.01 0.33 -0.77 5.00 0.00 -1.08 -2.75 119.26 122.01 2wr3 h ALA 373 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 54.91 53.69 2wr3 h ALA 373 Cb 0.31 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2wr3 h ALA 373 CO 0.00 1.20 0.50 0.27 0.00 0.00 0.00 179.25 181.21 2wr3 h PHE 374 N 0.08 0.94 0.10 0.00 -0.00 -0.98 -1.05 116.94 116.02 2wr3 h PHE 374 Ca -0.33 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 57.66 2wr3 h PHE 374 Cb 2.05 -0.31 0.00 0.00 -0.00 0.00 0.00 35.95 37.69 2wr3 h PHE 374 CO 0.07 0.56 -0.05 -0.44 -0.00 0.00 0.00 178.31 178.46 2wr3 h ASP 375 N 0.99 -0.11 0.75 -0.68 3.32 -1.28 -0.65 116.42 118.76 2wr3 h ASP 375 Ca 0.30 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2wr3 h ASP 375 Cb -0.05 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wr3 h ASP 375 CO -0.09 -0.02 -0.40 1.23 -1.72 0.00 0.00 179.24 178.25 2wr3 h GLY 376 N -0.19 -1.12 1.53 2.75 0.00 -1.33 -0.37 103.07 104.34 2wr3 h GLY 376 Ca -0.01 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 2wr3 h GLY 376 CO 0.02 -0.40 0.09 -2.22 0.00 0.00 0.00 176.54 174.03 2wr3 h ILE 377 N -1.06 1.18 -0.62 2.60 5.03 -1.24 0.90 117.51 124.31 2wr3 h ILE 377 Ca -0.10 -0.66 0.00 0.00 -0.12 0.00 0.00 64.86 63.99 2wr3 h ILE 377 Cb 0.83 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.37 2wr3 h ILE 377 CO 0.14 0.24 0.40 0.74 -0.68 0.00 0.00 178.15 179.00 2wr3 h THR 378 N 0.58 1.16 -0.39 -0.27 2.02 -1.04 -2.00 112.91 112.97 2wr3 h THR 378 Ca 0.13 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2wr3 h THR 378 Cb 0.23 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2wr3 h THR 378 CO -0.00 0.16 0.01 0.78 0.37 0.00 0.00 175.52 176.83 2wr3 h ASN 379 N 0.84 0.59 -0.04 4.18 2.35 0.64 -2.20 115.58 121.94 2wr3 h ASN 379 Ca 0.23 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2wr3 h ASN 379 Cb -0.08 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 2wr3 h ASN 379 CO -0.05 0.66 0.01 0.50 -1.65 0.00 0.00 177.43 176.90 2wr3 h LYS 380 N 0.60 0.06 -0.56 0.81 3.64 -0.51 0.19 116.57 120.79 2wr3 h LYS 380 Ca 0.12 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2wr3 h LYS 380 Cb 0.37 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2wr3 h LYS 380 CO 0.01 0.23 0.34 0.28 -2.27 0.00 0.00 179.45 178.04 2wr3 h VAL 381 N -0.13 1.06 -0.32 2.00 2.07 -1.35 -1.95 116.25 117.63 2wr3 h VAL 381 Ca 0.01 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2wr3 h VAL 381 Cb 0.20 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2wr3 h VAL 381 CO -0.00 0.12 -0.05 0.78 0.02 0.00 0.00 177.57 178.44 2wr3 h ASN 382 N 0.67 0.48 -0.35 0.57 2.35 -1.26 -1.85 115.58 116.18 2wr3 h ASN 382 Ca 0.22 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2wr3 h ASN 382 Cb 0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2wr3 h ASN 382 CO -0.10 0.59 0.02 0.28 -1.65 0.00 0.00 177.43 176.57 2wr3 h SER 383 N 0.48 0.59 -0.67 5.81 0.02 -0.47 0.23 113.55 119.54 2wr3 h SER 383 Ca 0.10 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2wr3 h SER 383 Cb 0.40 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2wr3 h SER 383 CO 0.02 0.74 0.28 0.58 -1.14 0.00 0.00 176.83 177.31 2wr3 h VAL 384 N 0.43 1.23 0.10 2.27 2.07 -1.08 -3.05 116.25 118.21 2wr3 h VAL 384 Ca 0.10 -0.73 -0.21 0.00 0.82 0.00 0.00 66.70 66.68 2wr3 h VAL 384 Cb 0.43 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2wr3 h VAL 384 CO 0.01 0.29 -1.05 0.40 0.02 0.00 0.00 177.57 177.25 2wr3 h ILE 385 N 0.99 1.26 -0.00 4.57 2.04 -1.21 -3.39 117.51 121.77 2wr3 h ILE 385 Ca 0.23 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.68 2wr3 h ILE 385 Cb 0.18 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2wr3 h ILE 385 CO -0.02 0.65 -0.08 0.00 0.00 0.00 0.00 178.15 178.70 2wr3 n ALA 386 N -2.88 2.65 1.27 1.87 0.00 0.79 -2.96 120.51 121.25 2wr3 n ALA 386 Ca -0.21 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.16 2wr3 n ALA 386 Cb 0.80 -1.40 0.34 0.00 0.00 0.00 0.00 19.45 19.20 2wr3 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wr3 n LYS 387 N -1.21 1.41 -2.66 0.00 4.76 -1.15 -4.85 118.16 114.46 2wr3 n LYS 387 Ca 0.12 -0.94 -0.43 0.00 -2.87 0.00 0.00 58.31 54.19 2wr3 n LYS 387 Cb 0.28 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 2wr3 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr3 s MET 388 N -2.24 3.78 -0.03 1.97 1.75 -1.16 -5.01 119.30 118.37 2wr3 s MET 388 Ca 0.29 0.61 -0.27 0.00 -1.25 0.00 0.00 55.69 55.08 2wr3 s MET 388 Cb 0.20 -3.87 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 2wr3 s MET 388 CO 0.43 -1.22 0.84 1.21 -0.65 0.00 0.00 175.02 175.63 2wr3 s ASN 389 N 2.22 7.19 -0.32 1.11 3.04 -1.26 -5.04 114.94 121.88 2wr3 s ASN 389 Ca 0.45 1.44 -0.01 0.00 0.04 0.00 0.00 52.86 54.78 2wr3 s ASN 389 Cb -0.09 -2.49 0.10 0.00 -1.54 0.00 0.00 41.25 37.23 2wr3 s ASN 389 CO 0.27 -0.18 0.12 0.42 -3.04 0.00 0.00 177.10 174.68 2wr3 s THR 390 N 0.87 0.74 1.03 -5.21 -4.23 -1.26 -5.06 115.64 102.52 2wr3 s THR 390 Ca 0.45 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.39 2wr3 s THR 390 Cb -0.19 -1.56 0.22 0.00 1.34 0.00 0.00 72.50 72.30 2wr3 s THR 390 CO 0.23 -0.71 1.26 0.00 -0.54 0.00 0.00 174.62 174.86 2wr3 s GLN 391 N 1.58 0.10 -0.17 3.99 -2.07 -1.26 -4.85 119.66 116.98 2wr3 s GLN 391 Ca 0.11 -0.30 -0.19 0.00 -1.82 0.00 0.00 55.36 53.16 2wr3 s GLN 391 Cb -0.18 -1.77 -0.03 0.00 -1.09 0.00 0.00 33.01 29.93 2wr3 s GLN 391 CO -0.24 -2.79 0.53 0.12 -1.32 0.00 0.00 175.29 171.58 2wr3 s PHE 392 N -3.63 3.42 0.10 9.60 5.36 -1.26 -4.40 117.98 127.17 2wr3 s PHE 392 Ca 0.73 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 2wr3 s PHE 392 Cb -0.06 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 2wr3 s PHE 392 CO 0.54 -0.02 0.03 -1.21 -1.46 0.00 0.00 175.22 173.09 2wr3 s GLU 393 N 1.34 0.82 -0.07 10.12 8.01 -0.73 -4.96 118.70 133.23 2wr3 s GLU 393 Ca 0.26 -1.36 0.11 0.00 0.01 0.00 0.00 54.97 53.99 2wr3 s GLU 393 Cb -0.15 0.23 -0.16 0.00 -4.31 0.00 0.00 34.13 29.74 2wr3 s GLU 393 CO 0.10 -0.21 0.14 0.00 0.01 0.00 0.00 175.26 175.31 2wr3 n ALA 394 N -0.02 2.06 -0.34 5.21 0.00 -1.26 -1.50 120.51 124.66 2wr3 n ALA 394 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2wr3 n ALA 394 Cb 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2wr3 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr3 n VAL 395 N -2.18 0.00 -1.65 0.00 0.31 -1.26 -4.48 118.33 109.07 2wr3 n VAL 395 Ca -0.11 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.76 2wr3 n VAL 395 Cb 0.61 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.51 2wr3 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr3 n GLY 396 N 0.00 0.60 3.31 2.92 0.00 -1.26 -5.00 105.19 105.76 2wr3 n GLY 396 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 2wr3 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr3 s LYS 397 N -0.38 1.57 -0.07 1.61 -0.14 -1.26 -4.66 119.74 116.41 2wr3 s LYS 397 Ca 0.70 -1.89 -0.00 0.00 -1.36 0.00 0.00 55.97 53.41 2wr3 s LYS 397 Cb -0.70 0.01 0.03 0.00 -1.68 0.00 0.00 37.83 35.49 2wr3 s LYS 397 CO 0.50 -0.47 -0.02 -1.21 -0.76 0.00 0.00 175.35 173.38 2wr3 s GLU 398 N -3.81 0.80 -0.02 1.68 0.41 -1.26 -5.09 118.70 111.41 2wr3 s GLU 398 Ca 0.37 -0.01 0.01 0.00 -0.41 0.00 0.00 54.97 54.92 2wr3 s GLU 398 Cb 0.05 -1.00 0.02 0.00 -1.78 0.00 0.00 34.13 31.42 2wr3 s GLU 398 CO 0.18 -0.22 -0.01 -0.06 -0.49 0.00 0.00 175.26 174.66 2wr3 s PHE 399 N 1.55 0.34 1.06 1.61 0.08 -1.26 -4.95 117.98 116.41 2wr3 s PHE 399 Ca -0.01 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 2wr3 s PHE 399 Cb -0.13 -0.35 0.22 0.00 -0.57 0.00 0.00 43.02 42.19 2wr3 s PHE 399 CO -0.04 -0.09 1.07 -1.54 -0.10 0.00 0.00 175.22 174.52 2wr3 s SER 400 N 0.62 1.92 0.00 1.36 1.04 -1.26 -4.87 113.70 112.52 2wr3 s SER 400 Ca -0.06 1.52 0.12 0.00 0.48 0.00 0.00 55.95 58.00 2wr3 s SER 400 Cb -0.09 -2.22 0.69 0.00 0.10 0.00 0.00 66.02 64.50 2wr3 s SER 400 CO -0.01 -3.61 1.39 -0.46 0.98 0.00 0.00 173.24 171.53 2wr3 n ASN 401 N -4.53 0.00 -1.13 7.02 6.94 -1.26 -1.83 115.26 120.48 2wr3 n ASN 401 Ca 0.05 -1.52 0.04 0.00 -0.02 0.00 0.00 54.58 53.14 2wr3 n ASN 401 Cb 0.55 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.23 2wr3 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr3 n LEU 402 N -0.69 4.31 -1.51 -4.53 4.77 -1.26 -4.43 117.00 113.65 2wr3 n LEU 402 Ca 0.09 -3.19 -0.01 0.00 -0.03 0.00 0.00 56.01 52.86 2wr3 n LEU 402 Cb 0.04 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2wr3 n LEU 402 CO 0.06 0.80 0.18 -0.62 -1.33 0.00 0.00 177.39 176.48 2wr3 n GLU 403 N -0.54 1.54 -0.32 3.23 1.02 -0.76 -4.84 120.64 119.97 2wr3 n GLU 403 Ca 0.27 -3.13 -0.01 0.00 -0.02 0.00 0.00 57.16 54.27 2wr3 n GLU 403 Cb 1.00 -1.27 0.17 0.00 -0.02 0.00 0.00 31.44 31.32 2wr3 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr3 h ARG 404 N 1.50 1.19 -0.46 3.49 -0.00 -1.77 -0.52 114.38 117.81 2wr3 h ARG 404 Ca -0.02 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.37 2wr3 h ARG 404 Cb 1.41 -0.27 -0.02 0.00 0.00 0.00 0.00 29.97 31.10 2wr3 h ARG 404 CO 0.21 0.79 0.21 0.00 0.00 0.00 0.00 179.97 181.18 2wr3 h ARG 405 N 1.23 0.66 -0.29 0.04 3.08 -1.96 -1.06 114.38 116.08 2wr3 h ARG 405 Ca 0.34 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 2wr3 h ARG 405 Cb -0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 2wr3 h ARG 405 CO -0.08 0.58 -0.32 1.25 -1.07 0.00 0.00 179.97 180.33 2wr3 h LEU 406 N 0.60 0.65 -0.63 3.04 5.85 -1.85 -0.15 115.31 122.82 2wr3 h LEU 406 Ca 0.16 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 2wr3 h LEU 406 Cb 0.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2wr3 h LEU 406 CO -0.02 0.93 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.88 2wr3 h GLU 407 N 0.53 1.03 -0.19 1.25 4.81 -0.93 -2.02 114.58 119.07 2wr3 h GLU 407 Ca 0.06 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 58.86 2wr3 h GLU 407 Cb 0.81 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2wr3 h GLU 407 CO 0.07 1.04 -0.26 -0.97 -0.73 0.00 0.00 179.01 178.15 2wr3 h ASN 408 N 0.93 0.35 -0.65 1.04 -0.73 -0.73 -0.63 115.58 115.16 2wr3 h ASN 408 Ca 0.16 -0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.18 2wr3 h ASN 408 Cb 0.60 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 2wr3 h ASN 408 CO 0.04 0.61 0.26 0.25 -0.37 0.00 0.00 177.43 178.22 2wr3 h LEU 409 N 0.31 0.90 -0.60 0.34 6.46 -0.68 0.18 115.31 122.22 2wr3 h LEU 409 Ca 0.05 -0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 2wr3 h LEU 409 Cb 0.63 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2wr3 h LEU 409 CO 0.05 0.82 -0.01 -1.13 -0.62 0.00 0.00 178.44 177.55 2wr3 h ASN 410 N 0.92 1.06 -0.53 1.25 -0.73 -0.80 -1.47 115.58 115.27 2wr3 h ASN 410 Ca 0.22 -0.31 -0.09 0.00 1.87 0.00 0.00 56.30 57.99 2wr3 h ASN 410 Cb 0.21 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 2wr3 h ASN 410 CO -0.02 1.11 -0.01 0.50 -0.37 0.00 0.00 177.43 178.64 2wr3 h LYS 411 N 0.97 0.95 -0.09 6.67 3.64 -0.82 -0.89 116.57 127.00 2wr3 h LYS 411 Ca 0.17 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2wr3 h LYS 411 Cb 0.58 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2wr3 h LYS 411 CO 0.03 0.97 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.86 2wr3 h LYS 412 N 0.82 0.13 -0.00 1.90 1.63 -0.39 -1.60 116.57 119.06 2wr3 h LYS 412 Ca 0.15 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2wr3 h LYS 412 Cb 0.55 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2wr3 h LYS 412 CO 0.03 0.24 -0.01 1.98 -3.45 0.00 0.00 179.45 178.24 2wr3 h MET 413 N 0.13 0.01 -0.59 1.90 4.05 -0.97 -2.23 114.93 117.23 2wr3 h MET 413 Ca 0.03 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2wr3 h MET 413 Cb 0.27 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2wr3 h MET 413 CO 0.02 0.72 0.19 0.93 0.23 0.00 0.00 176.91 179.00 2wr3 h GLU 414 N -0.70 0.91 -0.68 0.39 4.39 -0.99 -2.25 114.58 115.66 2wr3 h GLU 414 Ca -0.00 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2wr3 h GLU 414 Cb 0.73 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 2wr3 h GLU 414 CO 0.00 0.81 0.36 -0.44 -1.16 0.00 0.00 179.01 178.58 2wr3 h ASP 415 N 0.83 0.86 -0.24 1.42 3.32 -1.40 -1.11 116.42 120.10 2wr3 h ASP 415 Ca 0.19 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.17 2wr3 h ASP 415 Cb 0.27 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2wr3 h ASP 415 CO -0.01 0.72 0.03 1.23 -1.72 0.00 0.00 179.24 179.50 2wr3 h GLY 416 N 0.94 0.26 1.16 2.75 0.00 -1.06 0.97 103.07 108.09 2wr3 h GLY 416 Ca 0.24 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2wr3 h GLY 416 CO -0.04 -0.02 0.21 0.74 0.00 0.00 0.00 176.54 177.44 2wr3 h PHE 417 N 0.12 1.08 -0.75 5.60 -1.00 -1.24 -1.89 116.94 118.86 2wr3 h PHE 417 Ca 0.11 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.83 2wr3 h PHE 417 Cb 0.12 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.31 2wr3 h PHE 417 CO -0.16 0.86 0.46 1.25 -1.61 0.00 0.00 178.31 179.11 2wr3 h LEU 418 N 1.01 0.74 -0.29 1.54 5.85 -0.58 0.04 115.31 123.62 2wr3 h LEU 418 Ca 0.22 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2wr3 h LEU 418 Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2wr3 h LEU 418 CO -0.01 0.50 0.09 0.44 -0.34 0.00 0.00 178.44 179.12 2wr3 h ASP 419 N 0.88 0.43 0.12 1.25 3.32 -0.52 -1.98 116.42 119.93 2wr3 h ASP 419 Ca 0.31 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wr3 h ASP 419 Cb 0.07 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wr3 h ASP 419 CO -0.13 0.53 -0.07 0.58 -1.72 0.00 0.00 179.24 178.42 2wr3 h VAL 420 N 0.31 0.84 -0.49 -1.35 2.07 -1.02 -2.33 116.25 114.30 2wr3 h VAL 420 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2wr3 h VAL 420 Cb 0.25 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2wr3 h VAL 420 CO -0.00 0.00 0.10 -0.50 0.02 0.00 0.00 177.57 177.19 2wr3 h TRP 421 N -0.19 0.83 0.00 1.57 4.06 -1.00 -1.59 115.95 119.64 2wr3 h TRP 421 Ca -0.01 -0.11 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 2wr3 h TRP 421 Cb 0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 2wr3 h TRP 421 CO -0.08 0.76 -0.00 1.15 -3.56 0.00 0.00 178.44 176.70 2wr3 h THR 422 N 0.67 1.02 0.47 1.49 2.02 -1.33 -1.23 112.91 116.02 2wr3 h THR 422 Ca 0.15 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2wr3 h THR 422 Cb 0.36 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2wr3 h THR 422 CO 0.00 0.02 -0.31 0.22 0.37 0.00 0.00 175.52 175.82 2wr3 h TYR 423 N -0.03 -0.82 -0.65 3.16 3.20 -1.34 -0.77 116.97 119.72 2wr3 h TYR 423 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2wr3 h TYR 423 Cb 0.03 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2wr3 h TYR 423 CO -0.07 -0.47 0.43 -0.91 -1.64 0.00 0.00 178.16 175.50 2wr3 h ASN 424 N -0.76 0.47 0.08 -2.11 2.35 -1.26 -0.96 115.58 113.41 2wr3 h ASN 424 Ca -0.05 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 2wr3 h ASN 424 Cb 0.63 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.92 2wr3 h ASN 424 CO 0.04 0.29 -0.62 0.00 -1.65 0.00 0.00 177.43 175.49 2wr3 h ALA 425 N 1.67 -0.03 -0.35 -0.83 0.00 -0.91 0.28 119.26 119.08 2wr3 h ALA 425 Ca 0.29 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2wr3 h ALA 425 Cb 0.46 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wr3 h ALA 425 CO -0.09 0.30 0.18 0.93 0.00 0.00 0.00 179.25 180.57 2wr3 h GLU 426 N -0.40 0.36 -0.26 0.00 4.39 -0.94 -1.21 114.58 116.52 2wr3 h GLU 426 Ca -0.10 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 2wr3 h GLU 426 Cb 1.44 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2wr3 h GLU 426 CO 0.12 0.23 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.68 2wr3 h LEU 427 N 0.37 0.73 0.03 1.33 4.07 -1.22 -2.26 115.31 118.36 2wr3 h LEU 427 Ca 0.15 -0.35 0.02 0.00 0.08 0.00 0.00 57.88 57.78 2wr3 h LEU 427 Cb 0.05 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 2wr3 h LEU 427 CO -0.10 1.07 -0.16 0.25 -1.08 0.00 0.00 178.44 178.43 2wr3 h LEU 428 N 0.54 -0.45 -0.13 1.67 5.85 -0.64 0.82 115.31 122.97 2wr3 h LEU 428 Ca 0.03 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wr3 h LEU 428 Cb 1.00 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2wr3 h LEU 428 CO 0.09 -0.22 -0.09 0.58 -0.34 0.00 0.00 178.44 178.46 2wr3 h VAL 429 N -0.28 0.73 -0.25 1.05 2.07 -1.17 0.27 116.25 118.67 2wr3 h VAL 429 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2wr3 h VAL 429 Cb 0.33 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2wr3 h VAL 429 CO -0.13 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.56 2wr3 h LEU 430 N -0.10 0.29 -0.40 2.57 3.38 -1.19 -1.49 115.31 118.38 2wr3 h LEU 430 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2wr3 h LEU 430 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wr3 h LEU 430 CO -0.19 0.21 0.00 0.24 0.09 0.00 0.00 178.44 178.80 2wr3 h MET 431 N 0.34 0.70 0.00 1.13 2.86 -0.68 -2.52 114.93 116.76 2wr3 h MET 431 Ca 0.09 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2wr3 h MET 431 Cb -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2wr3 h MET 431 CO -0.02 0.79 0.00 0.93 1.06 0.00 0.00 176.91 179.67 2wr3 h GLU 432 N 0.53 0.00 0.11 1.72 4.39 -0.87 -2.76 114.58 117.71 2wr3 h GLU 432 Ca 0.11 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 2wr3 h GLU 432 Cb 0.47 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2wr3 h GLU 432 CO 0.02 0.00 -0.81 -0.91 -1.16 0.00 0.00 179.01 176.15 2wr3 h ASN 433 N 0.00 0.52 -0.69 1.42 2.35 -1.09 -0.74 115.58 117.35 2wr3 h ASN 433 Ca 0.00 -0.90 0.10 0.00 -0.55 0.00 0.00 56.30 54.95 2wr3 h ASN 433 Cb 0.56 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 2wr3 h ASN 433 CO 0.00 1.37 0.46 -0.08 -1.65 0.00 0.00 177.43 177.53 2wr3 h GLU 434 N -0.25 0.51 0.09 0.81 4.81 -1.29 -1.89 114.58 117.37 2wr3 h GLU 434 Ca -0.13 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.80 2wr3 h GLU 434 Cb 1.60 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 2wr3 h GLU 434 CO 0.15 0.34 -1.31 0.00 -0.73 0.00 0.00 179.01 177.46 2wr3 h ARG 435 N 0.53 0.19 -0.49 1.92 3.08 -1.47 -2.47 114.38 115.67 2wr3 h ARG 435 Ca 0.32 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wr3 h ARG 435 Cb 0.54 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2wr3 h ARG 435 CO -0.10 1.10 0.23 1.15 -1.07 0.00 0.00 179.97 181.28 2wr3 h THR 436 N 0.05 1.19 -0.22 2.04 2.02 -0.74 -0.97 112.91 116.30 2wr3 h THR 436 Ca -0.15 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2wr3 h THR 436 Cb 1.95 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2wr3 h THR 436 CO 0.17 0.22 0.06 -0.07 0.37 0.00 0.00 175.52 176.26 2wr3 h LEU 437 N 0.65 0.32 -2.31 2.58 3.38 -1.40 -2.20 115.31 116.33 2wr3 h LEU 437 Ca 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wr3 h LEU 437 Cb 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wr3 h LEU 437 CO -0.02 0.47 -0.04 0.44 0.09 0.00 0.00 178.44 179.37 2wr3 h ASP 438 N 0.17 0.00 -0.02 -0.43 3.32 -1.31 -1.52 116.42 116.62 2wr3 h ASP 438 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2wr3 h ASP 438 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2wr3 h ASP 438 CO 0.00 0.04 -0.06 0.15 -1.72 0.00 0.00 179.24 177.65 2wr3 h PHE 439 N 0.00 0.11 -0.31 4.55 3.57 -0.57 -0.78 116.94 123.50 2wr3 h PHE 439 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2wr3 h PHE 439 Cb 0.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2wr3 h PHE 439 CO 0.00 0.66 0.20 0.45 -2.23 0.00 0.00 178.31 177.40 2wr3 h HIS 440 N -0.48 0.38 -0.79 0.41 3.86 -1.17 -1.94 115.15 115.42 2wr3 h HIS 440 Ca -0.00 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.35 2wr3 h HIS 440 Cb 0.66 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.91 2wr3 h HIS 440 CO 0.13 0.24 0.38 0.22 0.86 0.00 0.00 177.93 179.76 2wr3 h ASP 441 N 0.41 0.44 0.22 2.45 -0.00 -1.24 -1.52 116.42 117.19 2wr3 h ASP 441 Ca 0.11 0.09 -0.10 0.00 -0.00 0.00 0.00 57.03 57.13 2wr3 h ASP 441 Cb -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.30 2wr3 h ASP 441 CO -0.02 0.20 -0.39 -1.28 -0.00 0.00 0.00 179.24 177.74 2wr3 h SER 442 N 0.56 0.24 -0.27 2.28 0.87 -0.83 -2.08 113.55 114.33 2wr3 h SER 442 Ca 0.42 -0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.72 2wr3 h SER 442 Cb 0.58 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2wr3 h SER 442 CO -0.35 0.62 -0.47 0.78 -0.53 0.00 0.00 176.83 176.87 2wr3 h ASN 443 N 0.20 0.89 0.61 6.23 2.35 -0.52 -0.90 115.58 124.45 2wr3 h ASN 443 Ca 0.02 -0.53 -0.03 0.00 -0.55 0.00 0.00 56.30 55.21 2wr3 h ASN 443 Cb 0.79 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.91 2wr3 h ASN 443 CO 0.06 1.25 -0.30 0.58 -1.65 0.00 0.00 177.43 177.37 2wr3 h VAL 444 N 0.56 0.38 -0.85 2.81 2.07 -1.33 -1.57 116.25 118.32 2wr3 h VAL 444 Ca 0.02 -0.08 0.18 0.00 0.82 0.00 0.00 66.70 67.64 2wr3 h VAL 444 Cb 1.08 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.15 2wr3 h VAL 444 CO 0.11 0.01 0.39 0.50 0.02 0.00 0.00 177.57 178.60 2wr3 h LYS 445 N -0.88 0.48 -0.21 1.57 1.63 -1.33 -0.19 116.57 117.64 2wr3 h LYS 445 Ca -0.08 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.55 2wr3 h LYS 445 Cb 0.65 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2wr3 h LYS 445 CO 0.14 0.32 -0.44 -0.91 -3.45 0.00 0.00 179.45 175.11 2wr3 h ASN 446 N 0.50 0.56 0.24 4.20 2.35 -1.10 -1.04 115.58 121.30 2wr3 h ASN 446 Ca 0.50 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2wr3 h ASN 446 Cb 0.82 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2wr3 h ASN 446 CO -0.44 0.93 -0.12 0.25 -1.65 0.00 0.00 177.43 176.40 2wr3 h LEU 447 N 0.43 -0.27 -0.52 1.61 5.85 -0.11 0.76 115.31 123.05 2wr3 h LEU 447 Ca 0.03 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2wr3 h LEU 447 Cb 0.94 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2wr3 h LEU 447 CO 0.08 -0.12 0.06 0.22 -0.34 0.00 0.00 178.44 178.35 2wr3 h TYR 448 N -0.42 0.09 0.00 1.25 3.20 -1.01 -1.05 116.97 119.04 2wr3 h TYR 448 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2wr3 h TYR 448 Cb 0.32 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2wr3 h TYR 448 CO -0.03 -0.06 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.94 2wr3 h ASP 449 N 0.19 0.00 -0.26 -2.11 5.19 -0.94 -1.76 116.42 116.73 2wr3 h ASP 449 Ca 0.27 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 2wr3 h ASP 449 Cb 0.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 2wr3 h ASP 449 CO -0.38 0.05 -0.23 0.11 -3.12 0.00 0.00 179.24 175.66 2wr3 h LYS 450 N 0.00 0.61 0.09 3.56 1.57 0.45 -2.39 116.57 120.46 2wr3 h LYS 450 Ca -0.00 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2wr3 h LYS 450 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wr3 h LYS 450 CO 0.01 0.91 -0.04 0.28 -0.57 0.00 0.00 179.45 180.03 2wr3 h VAL 451 N 0.33 1.05 -0.35 0.50 2.07 -1.02 -3.06 116.25 115.77 2wr3 h VAL 451 Ca 0.04 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2wr3 h VAL 451 Cb 0.79 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2wr3 h VAL 451 CO 0.06 0.13 -0.02 -0.09 0.02 0.00 0.00 177.57 177.66 2wr3 h ARG 452 N -0.36 0.07 0.00 1.57 2.43 -1.37 -1.20 114.38 115.52 2wr3 h ARG 452 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wr3 h ARG 452 Cb 0.30 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wr3 h ARG 452 CO 0.02 0.04 0.00 0.52 -1.51 0.00 0.00 179.97 179.04 2wr3 h MET 453 N 0.07 0.00 0.00 0.20 2.86 -1.49 -3.07 114.93 113.50 2wr3 h MET 453 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2wr3 h MET 453 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2wr3 h MET 453 CO -0.31 0.00 -0.07 1.96 1.06 0.00 0.00 176.91 179.56 2wr3 h GLN 454 N 0.00 0.00 0.00 1.72 4.20 -1.14 -3.45 115.11 116.44 2wr3 h GLN 454 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wr3 h GLN 454 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2wr3 h GLN 454 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2wr3 n LEU 455 N -4.68 0.00 0.00 1.46 4.77 -0.72 -4.81 117.00 113.02 2wr3 n LEU 455 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2wr3 n LEU 455 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wr3 n LEU 455 CO 0.01 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.61 2wr3 n ARG 456 N 0.00 0.00 -0.37 3.23 1.74 -1.20 -4.60 116.66 115.46 2wr3 n ARG 456 Ca 0.00 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.37 2wr3 n ARG 456 Cb 0.00 0.00 0.55 0.00 -1.02 0.00 0.00 32.46 31.99 2wr3 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr3 h ASP 457 N 0.00 0.39 -0.90 0.55 5.19 -1.94 -1.15 116.42 118.56 2wr3 h ASP 457 Ca 0.00 0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.73 2wr3 h ASP 457 Cb 0.00 0.12 -0.07 0.00 0.18 0.00 0.00 39.33 39.55 2wr3 h ASP 457 CO 0.00 -0.13 0.58 0.78 -3.12 0.00 0.00 179.24 177.35 2wr3 h ASN 458 N 0.23 0.57 -4.07 6.45 4.21 -1.91 -3.46 115.58 117.60 2wr3 h ASN 458 Ca 0.75 0.05 -0.44 0.00 1.21 0.00 0.00 56.30 57.86 2wr3 h ASN 458 Cb 2.00 -0.06 -0.14 0.00 -1.12 0.00 0.00 38.32 39.00 2wr3 h ASN 458 CO -0.49 0.26 -0.57 0.68 -1.29 0.00 0.00 177.43 176.02 2wr3 s VAL 459 N -5.60 0.59 -0.24 2.81 -7.23 -0.44 -0.06 120.40 110.24 2wr3 s VAL 459 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 2wr3 s VAL 459 Cb 0.22 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 2wr3 s VAL 459 CO 0.79 0.00 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.81 2wr3 s LYS 460 N -3.86 3.28 -0.59 4.82 2.20 0.46 -4.74 119.74 121.32 2wr3 s LYS 460 Ca 0.34 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.99 2wr3 s LYS 460 Cb 0.06 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 2wr3 s LYS 460 CO 0.16 -0.26 1.88 -1.21 -0.36 0.00 0.00 175.35 175.56 2wr3 s GLU 461 N 1.47 2.65 -0.02 4.03 2.02 -1.26 0.12 118.70 127.71 2wr3 s GLU 461 Ca 0.05 0.69 -0.22 0.00 0.02 0.00 0.00 54.97 55.51 2wr3 s GLU 461 Cb -0.15 -4.38 -0.14 0.00 0.10 0.00 0.00 34.13 29.56 2wr3 s GLU 461 CO -0.02 -2.70 0.97 -0.07 0.02 0.00 0.00 175.26 173.45 2wr3 h LEU 462 N 16.39 -0.43 0.00 1.80 -0.00 -1.41 -3.49 115.31 128.18 2wr3 h LEU 462 Ca -0.26 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2wr3 h LEU 462 Cb 1.17 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2wr3 h LEU 462 CO 1.20 -0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.25 2wr3 n GLY 463 N 0.02 -1.10 1.83 0.83 0.00 -1.26 -4.99 105.19 100.52 2wr3 n GLY 463 Ca -0.09 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2wr3 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr3 n ASN 464 N 0.00 2.39 -0.04 1.61 0.23 -1.25 -4.44 115.26 113.76 2wr3 n ASN 464 Ca 0.00 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 2wr3 n ASN 464 Cb 0.00 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.18 2wr3 n ASN 464 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr3 n GLY 465 N 1.88 0.53 3.20 4.83 0.00 -1.24 -4.64 105.19 109.74 2wr3 n GLY 465 Ca 0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2wr3 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 s PHE 467 N -0.72 2.87 -0.23 0.00 0.40 0.09 -0.93 117.98 119.46 2wr3 s PHE 467 Ca 0.06 -0.67 -0.20 0.00 -0.60 0.00 0.00 56.93 55.52 2wr3 s PHE 467 Cb -0.08 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 2wr3 s PHE 467 CO 0.01 -0.26 0.60 -1.21 0.70 0.00 0.00 175.22 175.06 2wr3 s GLU 468 N 0.56 4.16 0.33 0.44 2.02 0.12 -2.10 118.70 124.23 2wr3 s GLU 468 Ca -0.07 0.52 -0.27 0.00 0.02 0.00 0.00 54.97 55.18 2wr3 s GLU 468 Cb -0.15 -3.61 -0.09 0.00 0.10 0.00 0.00 34.13 30.38 2wr3 s GLU 468 CO 0.03 -0.30 1.10 -0.06 0.02 0.00 0.00 175.26 176.05 2wr3 s PHE 469 N 2.12 3.41 -1.05 1.61 0.40 -1.26 0.17 117.98 123.38 2wr3 s PHE 469 Ca 0.26 1.66 -0.03 0.00 -0.60 0.00 0.00 56.93 58.22 2wr3 s PHE 469 Cb -0.16 -3.26 0.31 0.00 0.51 0.00 0.00 43.02 40.42 2wr3 s PHE 469 CO 0.09 -0.70 1.48 0.66 0.70 0.00 0.00 175.22 177.45 2wr3 n TYR 470 N 0.66 2.35 0.00 0.36 0.53 0.92 -4.88 117.16 117.10 2wr3 n TYR 470 Ca 0.01 -2.65 0.00 0.00 -1.02 0.00 0.00 57.90 54.24 2wr3 n TYR 470 Cb 0.46 -1.20 0.00 0.00 -1.03 0.00 0.00 39.34 37.57 2wr3 n TYR 470 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 2wr3 n HIS 471 N 1.14 0.00 -1.74 -0.72 1.44 -1.26 -4.63 115.22 109.45 2wr3 n HIS 471 Ca 0.28 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.57 2wr3 n HIS 471 Cb 0.33 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.42 2wr3 n HIS 471 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2wr3 s LYS 472 N -2.16 4.12 -0.31 -1.40 0.00 -1.26 -4.98 119.74 113.75 2wr3 s LYS 472 Ca 0.00 2.60 -0.02 0.00 0.00 0.00 0.00 55.97 58.55 2wr3 s LYS 472 Cb 0.00 -3.05 0.10 0.00 0.00 0.00 0.00 37.83 34.89 2wr3 s LYS 472 CO 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 175.35 174.77 2wr3 s ASP 474 N 1.74 6.53 0.23 0.00 -4.77 -1.26 -4.77 116.67 114.37 2wr3 s ASP 474 Ca 0.10 1.21 0.18 0.00 -3.30 0.00 0.00 52.55 50.74 2wr3 s ASP 474 Cb -0.17 -2.35 0.75 0.00 -1.09 0.00 0.00 42.92 40.05 2wr3 s ASP 474 CO -0.28 -0.43 0.75 0.47 0.70 0.00 0.00 175.17 176.38 2wr3 n ASP 475 N -1.36 0.07 0.16 2.11 9.92 -1.26 0.22 116.55 126.42 2wr3 n ASP 475 Ca 0.03 0.62 0.08 0.00 -0.53 0.00 0.00 54.79 54.98 2wr3 n ASP 475 Cb 0.54 -0.30 0.07 0.00 -0.64 0.00 0.00 41.12 40.79 2wr3 n ASP 475 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2wr3 h GLU 476 N 0.00 0.00 0.96 -1.24 4.39 -2.01 -3.27 114.58 113.41 2wr3 h GLU 476 Ca 0.43 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.08 2wr3 h GLU 476 Cb 1.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2wr3 h GLU 476 CO -0.17 0.20 -0.46 0.00 -1.16 0.00 0.00 179.01 177.42 2wr3 n MET 478 N -5.50 -0.15 0.00 0.00 2.81 -1.22 0.50 117.12 113.57 2wr3 n MET 478 Ca -0.16 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 2wr3 n MET 478 Cb 0.51 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 2wr3 n MET 478 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2wr3 n ASN 479 N -3.82 0.00 -0.05 7.83 4.13 -1.23 0.16 115.26 122.28 2wr3 n ASN 479 Ca 0.01 0.06 -0.13 0.00 1.68 0.00 0.00 54.58 56.20 2wr3 n ASN 479 Cb 0.09 -0.06 -0.14 0.00 -1.54 0.00 0.00 39.78 38.12 2wr3 n ASN 479 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wr3 n SER 480 N -1.02 1.15 0.00 6.41 3.41 0.18 -3.09 113.62 120.67 2wr3 n SER 480 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2wr3 n SER 480 Cb 0.38 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wr3 n SER 480 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wr3 n VAL 481 N -3.12 0.00 -0.24 -3.33 0.31 0.41 0.21 118.33 112.57 2wr3 n VAL 481 Ca -0.28 0.94 -0.06 0.00 -0.01 0.00 0.00 64.34 64.93 2wr3 n VAL 481 Cb 1.07 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 2wr3 n VAL 481 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wr3 n LYS 482 N -1.40 -0.26 -0.39 5.55 5.02 -0.83 0.11 118.16 125.96 2wr3 n LYS 482 Ca 0.00 0.96 -0.01 0.00 -2.02 0.00 0.00 58.31 57.24 2wr3 n LYS 482 Cb 0.00 -1.41 0.13 0.00 -0.02 0.00 0.00 35.03 33.73 2wr3 n LYS 482 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wr3 n ASN 483 N -4.57 2.99 -3.59 4.39 6.94 -1.18 -4.92 115.26 115.34 2wr3 n ASN 483 Ca 0.01 -2.45 -0.20 0.00 -0.02 0.00 0.00 54.58 51.92 2wr3 n ASN 483 Cb 0.15 -0.59 0.05 0.00 -2.36 0.00 0.00 39.78 37.03 2wr3 n ASN 483 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr3 n GLY 484 N 0.12 -0.41 3.17 4.83 0.00 0.31 -4.97 105.19 108.24 2wr3 n GLY 484 Ca 0.15 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.36 2wr3 n GLY 484 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr3 s THR 485 N -3.55 -0.97 -0.15 2.61 -4.23 0.13 -5.03 115.64 104.45 2wr3 s THR 485 Ca 0.06 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2wr3 s THR 485 Cb -0.01 -0.45 0.08 0.00 1.34 0.00 0.00 72.50 73.45 2wr3 s THR 485 CO 0.79 0.00 0.26 -0.47 -0.54 0.00 0.00 174.62 174.65 2wr3 s TYR 486 N 2.31 -0.41 0.14 3.99 5.04 -1.19 -4.44 117.35 122.79 2wr3 s TYR 486 Ca 0.14 0.77 -0.30 0.00 -2.44 0.00 0.00 57.07 55.23 2wr3 s TYR 486 Cb -0.06 -0.12 -0.08 0.00 0.35 0.00 0.00 41.96 42.05 2wr3 s TYR 486 CO -0.16 -0.44 1.28 0.16 -1.34 0.00 0.00 175.55 175.05 2wr3 s ASP 487 N 2.40 6.96 -0.08 4.32 3.84 -1.26 -4.94 116.67 127.91 2wr3 s ASP 487 Ca 0.04 2.26 -0.24 0.00 -0.00 0.00 0.00 52.55 54.61 2wr3 s ASP 487 Cb -0.13 -2.60 -0.30 0.00 -1.38 0.00 0.00 42.92 38.52 2wr3 s ASP 487 CO -0.10 -0.51 0.85 0.22 -0.00 0.00 0.00 175.17 175.62 2wr3 h TYR 488 N 6.02 0.36 0.00 2.11 3.20 -1.97 -3.39 116.97 123.31 2wr3 h TYR 488 Ca -0.43 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.17 2wr3 h TYR 488 Cb 1.21 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2wr3 h TYR 488 CO 0.64 1.21 0.00 -2.30 -1.64 0.00 0.00 178.16 176.07 2wr3 n PRO 489 N -4.29 0.00 -0.30 1.82 -0.02 -1.26 -2.01 135.00 128.95 2wr3 n PRO 489 Ca -0.13 0.26 0.28 0.00 -2.02 0.00 0.00 63.50 61.90 2wr3 n PRO 489 Cb 0.71 -0.40 0.52 0.00 -0.02 0.00 0.00 33.50 34.31 2wr3 n PRO 489 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wr3 n LYS 490 N -2.19 -0.06 -2.86 -0.52 4.81 -1.26 -3.75 118.16 112.33 2wr3 n LYS 490 Ca 0.00 1.27 -0.39 0.00 -0.87 0.00 0.00 58.31 58.32 2wr3 n LYS 490 Cb 0.00 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2wr3 n LYS 490 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wr3 n TYR 491 N -5.10 2.74 -2.93 5.64 4.01 -0.85 -4.86 117.16 115.81 2wr3 n TYR 491 Ca 0.34 -2.81 -0.44 0.00 -0.16 0.00 0.00 57.90 54.83 2wr3 n TYR 491 Cb 1.14 -1.11 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2wr3 n TYR 491 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wr3 s GLU 492 N -3.55 4.09 -0.22 -0.72 0.41 -1.25 -4.88 118.70 112.59 2wr3 s GLU 492 Ca 0.37 -2.56 -0.01 0.00 -0.41 0.00 0.00 54.97 52.35 2wr3 s GLU 492 Cb 0.14 -5.08 0.06 0.00 -1.78 0.00 0.00 34.13 27.48 2wr3 s GLU 492 CO -0.03 -1.78 0.00 -1.21 -0.49 0.00 0.00 175.26 171.75 2wr3 s GLU 493 N 1.67 1.06 -0.81 1.61 2.02 -1.26 -5.09 118.70 117.89 2wr3 s GLU 493 Ca 0.43 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 2wr3 s GLU 493 Cb -0.03 -2.31 0.20 0.00 0.10 0.00 0.00 34.13 32.10 2wr3 s GLU 493 CO 0.00 -0.65 0.69 -1.21 0.02 0.00 0.00 175.26 174.11 2wr3 s GLU 494 N 1.65 3.14 -1.61 1.61 2.02 -1.26 -4.70 118.70 119.55 2wr3 s GLU 494 Ca -0.02 -2.92 -0.10 0.00 0.02 0.00 0.00 54.97 51.95 2wr3 s GLU 494 Cb -0.18 -3.98 -0.09 0.00 0.10 0.00 0.00 34.13 29.98 2wr3 s GLU 494 CO -0.08 -1.24 2.94 0.43 0.02 0.00 0.00 175.26 177.33 2wr3 n SER 495 N 2.95 8.63 0.00 -0.19 7.64 -1.26 -5.19 113.62 126.19 2wr3 n SER 495 Ca 0.16 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2wr3 n SER 495 Cb 0.39 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 2wr3 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32