#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr2 s ILE 7 N 0.00 0.24 0.04 -0.39 2.07 -0.38 -0.58 121.20 122.21 2wr2 s ILE 7 Ca 0.00 -0.01 0.09 0.00 -1.41 0.00 0.00 60.65 59.31 2wr2 s ILE 7 Cb 0.00 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 2wr2 s ILE 7 CO 0.00 0.13 -0.24 0.00 -1.91 0.00 0.00 174.94 172.92 2wr2 s ILE 9 N -0.81 5.15 0.35 0.00 -1.09 -0.00 -0.66 121.20 124.13 2wr2 s ILE 9 Ca 0.12 0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 59.05 2wr2 s ILE 9 Cb -0.10 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2wr2 s ILE 9 CO 0.02 0.55 0.69 -0.83 -1.23 0.00 0.00 174.94 174.14 2wr2 s GLY 10 N -1.17 0.55 0.19 6.18 0.00 -0.32 -4.77 107.32 107.99 2wr2 s GLY 10 Ca 0.23 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.11 2wr2 s GLY 10 CO 0.12 -0.45 0.03 -2.52 0.00 0.00 0.00 173.10 170.28 2wr2 s TYR 11 N -2.86 1.29 0.50 1.90 -0.85 -1.26 -1.85 117.35 114.23 2wr2 s TYR 11 Ca 0.19 -1.06 -0.20 0.00 -0.52 0.00 0.00 57.07 55.47 2wr2 s TYR 11 Cb -0.04 -0.74 -0.08 0.00 0.38 0.00 0.00 41.96 41.48 2wr2 s TYR 11 CO 0.12 -0.25 1.06 -1.58 -1.52 0.00 0.00 175.55 173.39 2wr2 s HIS 12 N -3.69 2.92 0.05 -3.49 5.65 1.00 -1.20 115.29 116.54 2wr2 s HIS 12 Ca 0.28 1.57 -0.05 0.00 0.25 0.00 0.00 55.06 57.10 2wr2 s HIS 12 Cb 0.06 -3.12 -0.01 0.00 -1.18 0.00 0.00 32.58 28.33 2wr2 s HIS 12 CO 0.06 -1.00 0.10 0.00 -0.65 0.00 0.00 174.74 173.25 2wr2 s ALA 13 N -1.94 0.01 0.00 1.58 0.00 -1.16 -4.47 121.76 115.78 2wr2 s ALA 13 Ca 0.68 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2wr2 s ALA 13 Cb -0.18 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2wr2 s ALA 13 CO 0.22 -0.38 0.00 0.27 0.00 0.00 0.00 175.76 175.87 2wr2 n ASN 14 N 0.42 0.00 -1.94 0.00 0.23 -1.26 -4.17 115.26 108.55 2wr2 n ASN 14 Ca -0.17 -0.68 0.04 0.00 -0.53 0.00 0.00 54.58 53.24 2wr2 n ASN 14 Cb 0.60 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.68 2wr2 n ASN 14 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wr2 n ASN 15 N -1.44 5.56 -4.76 0.53 5.03 -1.26 -4.76 115.26 114.16 2wr2 n ASN 15 Ca 0.00 -3.00 -0.39 0.00 0.87 0.00 0.00 54.58 52.06 2wr2 n ASN 15 Cb 0.00 -0.70 0.01 0.00 -1.02 0.00 0.00 39.78 38.06 2wr2 n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2wr2 s SER 16 N -0.83 5.98 -0.07 6.41 0.15 -1.26 -4.94 113.70 119.15 2wr2 s SER 16 Ca 0.55 2.70 0.10 0.00 0.70 0.00 0.00 55.95 60.00 2wr2 s SER 16 Cb 0.42 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 62.25 2wr2 s SER 16 CO 0.15 -1.08 1.04 0.35 1.20 0.00 0.00 173.24 174.91 2wr2 n THR 17 N -0.24 1.24 -2.11 6.45 -2.24 -1.26 -4.85 114.28 111.26 2wr2 n THR 17 Ca 0.06 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 59.98 2wr2 n THR 17 Cb 0.44 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2wr2 n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wr2 s GLU 18 N -1.75 4.29 -0.01 -0.78 0.41 -1.26 -4.94 118.70 114.66 2wr2 s GLU 18 Ca 0.17 2.14 0.01 0.00 -0.41 0.00 0.00 54.97 56.88 2wr2 s GLU 18 Cb 0.14 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.22 2wr2 s GLU 18 CO 0.02 -0.49 0.01 0.15 -0.49 0.00 0.00 175.26 174.45 2wr2 s LYS 19 N 1.18 2.83 0.15 1.61 -0.14 -1.26 -1.21 119.74 122.91 2wr2 s LYS 19 Ca 0.66 -0.57 0.03 0.00 -1.36 0.00 0.00 55.97 54.73 2wr2 s LYS 19 Cb -0.38 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.02 2wr2 s LYS 19 CO 0.30 0.64 -0.05 0.14 -0.76 0.00 0.00 175.35 175.62 2wr2 s VAL 20 N -1.06 0.89 0.07 3.17 -7.23 0.09 -4.89 120.40 111.44 2wr2 s VAL 20 Ca 0.19 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2wr2 s VAL 20 Cb -0.11 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2wr2 s VAL 20 CO 0.09 -0.66 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.40 2wr2 s ASP 21 N -3.15 4.94 0.41 4.85 1.01 -1.26 -0.72 116.67 122.74 2wr2 s ASP 21 Ca 0.19 -0.18 0.04 0.00 0.71 0.00 0.00 52.55 53.31 2wr2 s ASP 21 Cb 0.05 -1.17 -0.05 0.00 1.01 0.00 0.00 42.92 42.76 2wr2 s ASP 21 CO 0.01 0.20 0.04 0.42 0.21 0.00 0.00 175.17 176.04 2wr2 s THR 22 N -1.25 1.38 0.42 -1.27 -4.23 0.54 -4.45 115.64 106.79 2wr2 s THR 22 Ca 0.24 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.91 2wr2 s THR 22 Cb -0.12 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.44 2wr2 s THR 22 CO 0.16 0.00 1.89 0.40 -0.54 0.00 0.00 174.62 176.53 2wr2 h ILE 23 N 1.76 0.75 0.00 2.99 1.08 -1.77 -2.91 117.51 119.40 2wr2 h ILE 23 Ca -0.42 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2wr2 h ILE 23 Cb 1.26 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2wr2 h ILE 23 CO 0.73 0.08 -0.93 0.18 -0.69 0.00 0.00 178.15 177.52 2wr2 n LEU 24 N -4.49 0.76 -3.89 1.44 4.77 -1.26 -5.01 117.00 109.30 2wr2 n LEU 24 Ca 0.17 -0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 2wr2 n LEU 24 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2wr2 n LEU 24 CO 0.32 0.19 -0.21 -1.61 -1.33 0.00 0.00 177.39 174.74 2wr2 s GLU 25 N -2.73 0.45 0.15 3.23 2.02 -1.10 -5.16 118.70 115.56 2wr2 s GLU 25 Ca 0.05 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 54.69 2wr2 s GLU 25 Cb 0.13 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 2wr2 s GLU 25 CO 0.73 -0.10 -0.16 1.03 0.02 0.00 0.00 175.26 176.77 2wr2 s ARG 26 N -1.42 1.82 -1.26 1.61 1.81 -1.26 -0.34 118.95 119.92 2wr2 s ARG 26 Ca -0.15 -1.28 -0.18 0.00 -1.72 0.00 0.00 55.73 52.40 2wr2 s ARG 26 Cb -0.08 -2.08 0.01 0.00 -0.45 0.00 0.00 34.95 32.35 2wr2 s ARG 26 CO 0.01 0.45 0.61 0.09 -0.68 0.00 0.00 175.30 175.78 2wr2 n ASN 27 N 0.44 -3.27 -4.71 0.23 3.02 -1.16 -4.96 115.26 104.85 2wr2 n ASN 27 Ca -0.13 -1.11 -0.38 0.00 -0.03 0.00 0.00 54.58 52.92 2wr2 n ASN 27 Cb 0.54 -2.70 -0.06 0.00 -0.61 0.00 0.00 39.78 36.96 2wr2 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr2 s VAL 28 N -3.68 5.15 -0.08 2.41 1.01 0.10 -4.83 120.40 120.47 2wr2 s VAL 28 Ca 0.33 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 2wr2 s VAL 28 Cb -0.14 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2wr2 s VAL 28 CO 0.91 0.29 0.95 -0.89 0.00 0.00 0.00 175.10 176.36 2wr2 s THR 29 N 0.83 4.84 0.26 3.92 2.01 -1.26 -0.73 115.64 125.51 2wr2 s THR 29 Ca 0.28 1.95 0.11 0.00 0.31 0.00 0.00 61.69 64.34 2wr2 s THR 29 Cb -0.16 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 2wr2 s THR 29 CO 0.12 0.07 -0.19 0.68 -0.69 0.00 0.00 174.62 174.60 2wr2 s VAL 30 N 1.65 2.36 0.22 3.82 -7.23 -0.35 -0.31 120.40 120.56 2wr2 s VAL 30 Ca 0.47 -2.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2wr2 s VAL 30 Cb -0.19 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2wr2 s VAL 30 CO 0.20 -0.41 1.54 0.71 -0.31 0.00 0.00 175.10 176.83 2wr2 h THR 31 N 2.37 1.36 -3.00 5.32 1.35 -1.23 -3.39 112.91 115.69 2wr2 h THR 31 Ca -0.40 -1.91 -0.13 0.00 -0.55 0.00 0.00 66.41 63.42 2wr2 h THR 31 Cb 1.25 1.92 -0.23 0.00 -1.73 0.00 0.00 68.15 69.37 2wr2 h THR 31 CO 0.60 0.57 -0.31 -1.00 -0.25 0.00 0.00 175.52 175.13 2wr2 s HIS 32 N -3.84 -0.27 0.07 4.73 3.76 -1.26 -4.75 115.29 113.72 2wr2 s HIS 32 Ca -0.05 0.59 0.01 0.00 -0.15 0.00 0.00 55.06 55.45 2wr2 s HIS 32 Cb 0.12 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.88 2wr2 s HIS 32 CO 0.81 -0.27 -0.05 0.00 -0.85 0.00 0.00 174.74 174.38 2wr2 s ALA 33 N -0.51 0.67 -0.18 -1.40 0.00 -1.26 -0.90 121.76 118.17 2wr2 s ALA 33 Ca -0.06 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2wr2 s ALA 33 Cb -0.04 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.31 2wr2 s ALA 33 CO 0.02 -0.25 -0.07 0.21 0.00 0.00 0.00 175.76 175.67 2wr2 s LYS 34 N -3.38 1.62 -0.09 0.00 2.20 0.14 -4.87 119.74 115.35 2wr2 s LYS 34 Ca 0.05 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 2wr2 s LYS 34 Cb 0.03 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 2wr2 s LYS 34 CO -0.06 -0.45 1.21 0.34 -0.36 0.00 0.00 175.35 176.03 2wr2 s ASP 35 N 1.54 7.03 -0.05 1.43 2.15 -1.26 -1.01 116.67 126.50 2wr2 s ASP 35 Ca -0.01 1.76 0.16 0.00 0.43 0.00 0.00 52.55 54.89 2wr2 s ASP 35 Cb -0.16 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.42 2wr2 s ASP 35 CO -0.08 -0.63 1.43 2.30 -0.17 0.00 0.00 175.17 178.03 2wr2 n ILE 36 N 4.84 1.38 -3.79 4.11 -5.35 -0.41 -4.89 119.36 115.24 2wr2 n ILE 36 Ca 0.12 -1.17 -0.36 0.00 -0.27 0.00 0.00 62.75 61.07 2wr2 n ILE 36 Cb 0.46 0.31 -0.13 0.00 -1.74 0.00 0.00 39.64 38.54 2wr2 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr2 s LEU 37 N -1.45 3.30 -0.11 7.28 2.96 -1.25 -3.54 118.68 125.88 2wr2 s LEU 37 Ca 0.38 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 2wr2 s LEU 37 Cb 0.23 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2wr2 s LEU 37 CO 0.21 -0.03 0.67 -0.70 -1.32 0.00 0.00 176.35 175.18 2wr2 s GLU 38 N 1.58 4.37 -0.05 1.98 2.56 -0.37 -4.91 118.70 123.86 2wr2 s GLU 38 Ca 0.06 0.79 0.08 0.00 0.00 0.00 0.00 54.97 55.90 2wr2 s GLU 38 Cb -0.15 -3.48 0.13 0.00 2.00 0.00 0.00 34.13 32.63 2wr2 s GLU 38 CO 0.02 -0.02 1.06 0.36 -0.56 0.00 0.00 175.26 176.12 2wr2 n LYS 39 N 4.16 0.47 -5.25 4.30 2.85 -1.26 -2.58 118.16 120.85 2wr2 n LYS 39 Ca -0.01 -1.64 -0.31 0.00 -1.05 0.00 0.00 58.31 55.30 2wr2 n LYS 39 Cb 0.51 -0.84 -0.16 0.00 -0.65 0.00 0.00 35.03 33.88 2wr2 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr2 s THR 40 N -1.05 2.02 0.46 0.58 -4.23 -1.26 -4.92 115.64 107.24 2wr2 s THR 40 Ca 0.13 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2wr2 s THR 40 Cb 0.12 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 2wr2 s THR 40 CO -0.00 0.56 0.22 -1.38 -0.54 0.00 0.00 174.62 173.49 2wr2 s HIS 41 N -0.21 2.29 -2.53 3.99 -3.43 -1.26 -4.72 115.29 109.42 2wr2 s HIS 41 Ca -0.02 -0.69 0.25 0.00 -0.80 0.00 0.00 55.06 53.80 2wr2 s HIS 41 Cb -0.13 -1.92 0.52 0.00 -1.43 0.00 0.00 32.58 29.62 2wr2 s HIS 41 CO 0.03 0.02 1.44 0.27 -2.00 0.00 0.00 174.74 174.49 2wr2 n ASN 42 N -1.38 2.10 0.00 7.38 0.23 -0.81 -4.92 115.26 117.86 2wr2 n ASN 42 Ca -0.03 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 2wr2 n ASN 42 Cb 0.65 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 2wr2 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 43 N 1.30 0.97 3.54 4.83 0.00 -1.26 -4.90 105.19 109.68 2wr2 n GLY 43 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2wr2 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr2 s LYS 44 N -0.02 1.94 -0.15 1.61 1.02 -1.26 -4.71 119.74 118.17 2wr2 s LYS 44 Ca 0.00 -1.46 -0.18 0.00 0.02 0.00 0.00 55.97 54.34 2wr2 s LYS 44 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2wr2 s LYS 44 CO 0.00 0.39 0.50 -1.17 -0.92 0.00 0.00 175.35 174.15 2wr2 s LEU 45 N -3.15 4.23 0.40 3.17 0.20 -1.26 -2.72 118.68 119.54 2wr2 s LEU 45 Ca 0.27 0.77 0.04 0.00 0.69 0.00 0.00 54.13 55.90 2wr2 s LEU 45 Cb -0.07 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.94 2wr2 s LEU 45 CO 0.15 -0.07 0.08 0.00 -0.29 0.00 0.00 176.35 176.22 2wr2 s ARG 47 N -3.80 4.13 -0.34 0.00 0.52 -0.32 -4.68 118.95 114.47 2wr2 s ARG 47 Ca 0.26 1.09 -0.06 0.00 -0.52 0.00 0.00 55.73 56.50 2wr2 s ARG 47 Cb 0.05 -2.16 0.04 0.00 0.52 0.00 0.00 34.95 33.40 2wr2 s ARG 47 CO 0.13 -0.12 0.10 -1.17 0.02 0.00 0.00 175.30 174.27 2wr2 s LEU 48 N -3.43 4.33 -1.23 2.53 2.96 -0.71 -1.35 118.68 121.77 2wr2 s LEU 48 Ca 0.61 -1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.26 2wr2 s LEU 48 Cb -0.10 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2wr2 s LEU 48 CO 0.18 -0.33 0.69 -1.20 -1.32 0.00 0.00 176.35 174.38 2wr2 n SER 49 N 4.81 -3.39 0.00 3.68 7.64 -0.97 -1.87 113.62 123.51 2wr2 n SER 49 Ca -0.12 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.80 2wr2 n SER 49 Cb 0.45 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 2wr2 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr2 n GLY 50 N -1.71 2.31 3.45 0.23 0.00 -1.26 -4.96 105.19 103.25 2wr2 n GLY 50 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2wr2 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr2 s ILE 51 N -1.61 4.23 0.84 -0.61 1.01 -0.78 -5.04 121.20 119.24 2wr2 s ILE 51 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 2wr2 s ILE 51 Cb 0.00 -2.96 0.10 0.00 0.01 0.00 0.00 42.46 39.61 2wr2 s ILE 51 CO 0.00 0.37 1.09 -2.16 0.00 0.00 0.00 174.94 174.24 2wr2 s PRO 52 N 1.40 1.72 0.48 2.79 0.04 -1.26 -1.74 135.00 138.43 2wr2 s PRO 52 Ca 0.05 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 2wr2 s PRO 52 Cb -0.15 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2wr2 s PRO 52 CO 0.03 -1.92 0.86 -1.25 0.04 0.00 0.00 177.00 174.76 2wr2 s PRO 53 N -5.00 3.74 -0.31 0.56 0.05 -1.26 -1.02 135.00 131.76 2wr2 s PRO 53 Ca 0.62 0.57 -0.27 0.00 0.05 0.00 0.00 61.00 61.97 2wr2 s PRO 53 Cb -0.17 -2.28 0.01 0.00 0.05 0.00 0.00 34.50 32.11 2wr2 s PRO 53 CO 0.56 -0.21 0.98 -1.17 0.05 0.00 0.00 177.00 177.22 2wr2 s LEU 54 N -4.28 4.00 -0.31 -3.56 2.96 -0.20 -4.90 118.68 112.39 2wr2 s LEU 54 Ca 0.53 0.97 -0.16 0.00 -0.22 0.00 0.00 54.13 55.25 2wr2 s LEU 54 Cb -0.10 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 2wr2 s LEU 54 CO 0.38 -0.78 0.41 -1.61 -1.32 0.00 0.00 176.35 173.42 2wr2 s GLU 55 N 3.39 3.81 0.00 1.98 2.02 -1.26 -1.67 118.70 126.97 2wr2 s GLU 55 Ca 0.41 -0.12 0.19 0.00 0.02 0.00 0.00 54.97 55.48 2wr2 s GLU 55 Cb -0.13 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.40 2wr2 s GLU 55 CO 0.13 -0.43 1.00 1.28 0.02 0.00 0.00 175.26 177.27 2wr2 n LEU 56 N 5.44 2.01 0.00 1.80 4.77 -1.05 -4.92 117.00 125.05 2wr2 n LEU 56 Ca -0.08 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2wr2 n LEU 56 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2wr2 n LEU 56 CO 0.40 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2wr2 n GLY 57 N 1.24 3.93 2.02 -0.72 0.00 -1.26 -1.04 105.19 109.35 2wr2 n GLY 57 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2wr2 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr2 n ASP 58 N 6.54 5.21 -4.83 1.61 5.68 -1.26 -2.86 116.55 126.63 2wr2 n ASP 58 Ca 0.00 -3.74 -0.33 0.00 -0.50 0.00 0.00 54.79 50.22 2wr2 n ASP 58 Cb 0.00 -0.77 -0.06 0.00 -1.14 0.00 0.00 41.12 39.15 2wr2 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr2 s SER 60 N -1.91 5.69 0.25 0.00 1.04 -0.05 -4.82 113.70 113.89 2wr2 s SER 60 Ca 0.26 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.13 2wr2 s SER 60 Cb -0.12 -1.61 0.25 0.00 0.10 0.00 0.00 66.02 64.64 2wr2 s SER 60 CO 0.17 -0.91 1.91 0.40 0.98 0.00 0.00 173.24 175.80 2wr2 h ILE 61 N 0.08 1.26 -0.71 -1.02 2.04 -1.98 -1.12 117.51 116.07 2wr2 h ILE 61 Ca -0.46 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 2wr2 h ILE 61 Cb 1.26 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2wr2 h ILE 61 CO 0.59 0.26 0.16 0.00 0.00 0.00 0.00 178.15 179.16 2wr2 h ALA 62 N 1.35 0.95 -0.46 1.87 0.00 -1.94 -1.12 119.26 119.90 2wr2 h ALA 62 Ca 0.36 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2wr2 h ALA 62 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2wr2 h ALA 62 CO -0.07 0.67 0.04 0.78 0.00 0.00 0.00 179.25 180.67 2wr2 h GLY 63 N 1.08 0.80 1.08 0.00 0.00 -1.57 -1.01 103.07 103.45 2wr2 h GLY 63 Ca 0.22 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 2wr2 h GLY 63 CO 0.00 0.46 -0.72 -0.25 0.00 0.00 0.00 176.54 176.03 2wr2 h TRP 64 N 0.70 0.96 0.09 5.60 7.01 -0.91 0.17 115.95 129.58 2wr2 h TRP 64 Ca 0.15 -0.44 -0.26 0.00 2.11 0.00 0.00 58.89 60.45 2wr2 h TRP 64 Cb 0.38 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2wr2 h TRP 64 CO 0.02 1.25 -1.16 -0.07 -2.79 0.00 0.00 178.44 175.70 2wr2 h LEU 65 N 0.39 0.48 -1.08 0.65 3.38 -1.06 -3.13 115.31 114.94 2wr2 h LEU 65 Ca -0.06 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 2wr2 h LEU 65 Cb 1.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2wr2 h LEU 65 CO 0.15 1.33 -0.23 -0.07 0.09 0.00 0.00 178.44 179.71 2wr2 h LEU 66 N 0.13 0.00 -0.83 1.67 3.38 -1.30 -3.45 115.31 114.92 2wr2 h LEU 66 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wr2 h LEU 66 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2wr2 h LEU 66 CO 0.19 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2wr2 n GLY 67 N 0.18 0.91 3.69 0.83 0.00 -0.98 -2.04 105.19 107.78 2wr2 n GLY 67 Ca 0.00 -0.48 -0.54 0.00 0.00 0.00 0.00 46.02 45.00 2wr2 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr2 n ASN 68 N 0.87 2.73 -0.31 1.61 2.85 0.55 -1.21 115.26 122.36 2wr2 n ASN 68 Ca 0.00 1.04 0.32 0.00 -0.11 0.00 0.00 54.58 55.84 2wr2 n ASN 68 Cb 0.37 -1.23 0.70 0.00 1.24 0.00 0.00 39.78 40.86 2wr2 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr2 h PRO 69 N 7.73 0.07 0.00 1.20 0.11 -1.89 0.68 132.00 139.90 2wr2 h PRO 69 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wr2 h PRO 69 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wr2 h PRO 69 CO 0.95 0.05 0.00 -1.91 -0.21 0.00 0.00 178.00 176.87 2wr2 n GLU 70 N -4.28 0.55 -0.04 1.05 4.07 -1.26 -2.67 120.64 118.06 2wr2 n GLU 70 Ca 0.25 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.38 2wr2 n GLU 70 Cb 1.15 -1.44 0.05 0.00 -0.06 0.00 0.00 31.44 31.14 2wr2 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wr2 h ASP 72 N 0.17 0.47 -0.69 0.00 3.32 -1.62 -3.07 116.42 115.00 2wr2 h ASP 72 Ca 0.00 -0.01 -0.38 0.00 0.02 0.00 0.00 57.03 56.66 2wr2 h ASP 72 Cb 0.68 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 39.97 2wr2 h ASP 72 CO 0.01 0.34 0.33 0.54 -1.72 0.00 0.00 179.24 178.73 2wr2 n ARG 73 N -4.80 2.07 0.13 3.56 1.74 -1.26 -4.63 116.66 113.47 2wr2 n ARG 73 Ca 0.01 -1.83 -0.06 0.00 -0.77 0.00 0.00 57.85 55.20 2wr2 n ARG 73 Cb 0.04 -1.87 -0.03 0.00 -1.02 0.00 0.00 32.46 29.58 2wr2 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr2 h LEU 74 N 3.38 -0.34 -2.65 0.55 5.85 -1.92 -3.50 115.31 116.68 2wr2 h LEU 74 Ca 0.32 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2wr2 h LEU 74 Cb 0.88 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2wr2 h LEU 74 CO 0.75 0.07 0.00 0.18 -0.34 0.00 0.00 178.44 179.10 2wr2 n LEU 75 N -4.83 -1.76 -4.90 2.25 4.77 -1.26 -5.03 117.00 106.24 2wr2 n LEU 75 Ca -0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.65 2wr2 n LEU 75 Cb 0.16 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 2wr2 n LEU 75 CO 0.12 0.00 0.44 -0.94 -1.33 0.00 0.00 177.39 175.68 2wr2 s SER 76 N -1.40 6.34 0.44 -1.43 1.04 -1.26 -4.82 113.70 112.61 2wr2 s SER 76 Ca 0.00 0.98 0.08 0.00 0.48 0.00 0.00 55.95 57.49 2wr2 s SER 76 Cb 0.00 -2.27 0.01 0.00 0.10 0.00 0.00 66.02 63.86 2wr2 s SER 76 CO 0.00 -0.52 0.51 0.68 0.98 0.00 0.00 173.24 174.89 2wr2 s VAL 77 N -2.62 2.68 -2.66 5.02 -7.23 -1.26 -5.03 120.40 109.30 2wr2 s VAL 77 Ca 0.48 -1.17 0.26 0.00 -1.81 0.00 0.00 61.98 59.74 2wr2 s VAL 77 Cb -0.10 -2.85 0.32 0.00 0.56 0.00 0.00 36.38 34.31 2wr2 s VAL 77 CO 0.41 0.00 1.46 -0.81 -0.31 0.00 0.00 175.10 175.84 2wr2 n PRO 78 N -1.77 1.90 -3.65 4.82 -0.05 -1.26 -4.89 135.00 130.09 2wr2 n PRO 78 Ca 0.07 -1.40 -0.10 0.00 -0.05 0.00 0.00 63.50 62.02 2wr2 n PRO 78 Cb 0.61 -1.47 -0.08 0.00 -0.05 0.00 0.00 33.50 32.51 2wr2 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2wr2 s GLU 79 N -2.06 0.68 0.03 0.54 2.12 -1.26 -1.90 118.70 116.84 2wr2 s GLU 79 Ca 0.31 1.05 -0.16 0.00 0.36 0.00 0.00 54.97 56.52 2wr2 s GLU 79 Cb 0.20 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.82 2wr2 s GLU 79 CO 0.35 -0.13 0.37 1.67 -0.54 0.00 0.00 175.26 176.97 2wr2 s TRP 80 N 1.14 -0.21 -0.41 5.30 -2.14 -1.21 -4.59 118.94 116.83 2wr2 s TRP 80 Ca -0.06 0.17 0.18 0.00 2.66 0.00 0.00 56.10 59.05 2wr2 s TRP 80 Cb -0.05 0.16 -0.24 0.00 -3.10 0.00 0.00 33.47 30.23 2wr2 s TRP 80 CO -0.12 -0.52 0.57 -1.13 -2.66 0.00 0.00 176.95 173.10 2wr2 n SER 81 N 0.67 0.80 -3.49 -2.66 3.41 -0.19 -2.31 113.62 109.85 2wr2 n SER 81 Ca -0.19 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 57.93 2wr2 n SER 81 Cb 0.59 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 2wr2 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr2 s TYR 82 N -3.01 -0.05 -0.07 7.33 -0.85 -1.22 -4.63 117.35 114.85 2wr2 s TYR 82 Ca -0.00 -0.44 0.05 0.00 -0.52 0.00 0.00 57.07 56.16 2wr2 s TYR 82 Cb 0.13 0.73 -0.01 0.00 0.38 0.00 0.00 41.96 43.19 2wr2 s TYR 82 CO 0.76 -1.20 -0.23 0.42 -1.52 0.00 0.00 175.55 173.77 2wr2 s ILE 83 N -3.05 2.17 -0.16 -3.49 1.01 -0.97 -1.03 121.20 115.68 2wr2 s ILE 83 Ca 0.14 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2wr2 s ILE 83 Cb -0.04 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2wr2 s ILE 83 CO 0.07 0.57 -0.00 -0.69 0.00 0.00 0.00 174.94 174.88 2wr2 s VAL 84 N -0.00 4.23 0.07 2.92 1.01 -0.67 0.16 120.40 128.11 2wr2 s VAL 84 Ca -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2wr2 s VAL 84 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2wr2 s VAL 84 CO 0.05 0.48 -0.07 -0.70 0.00 0.00 0.00 175.10 174.87 2wr2 s GLU 85 N 0.33 0.66 0.50 2.72 2.12 0.16 -2.53 118.70 122.67 2wr2 s GLU 85 Ca -0.01 -1.02 -0.18 0.00 0.36 0.00 0.00 54.97 54.12 2wr2 s GLU 85 Cb -0.13 -0.24 -0.08 0.00 0.26 0.00 0.00 34.13 33.93 2wr2 s GLU 85 CO 0.02 0.02 0.99 0.15 -0.54 0.00 0.00 175.26 175.89 2wr2 s LYS 86 N -2.62 3.93 0.25 4.30 1.02 -1.13 -1.34 119.74 124.15 2wr2 s LYS 86 Ca -0.00 1.06 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 2wr2 s LYS 86 Cb -0.03 -2.13 0.50 0.00 -0.52 0.00 0.00 37.83 35.65 2wr2 s LYS 86 CO -0.02 -0.29 1.66 1.49 -0.92 0.00 0.00 175.35 177.26 2wr2 h GLU 87 N 1.16 0.18 -3.03 1.68 4.57 -1.89 -3.26 114.58 113.99 2wr2 h GLU 87 Ca -0.48 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.09 2wr2 h GLU 87 Cb 1.19 -0.04 -0.40 0.00 -0.16 0.00 0.00 28.75 29.34 2wr2 h GLU 87 CO 0.61 0.12 -0.75 -0.80 -1.18 0.00 0.00 179.01 177.01 2wr2 s ASN 88 N -5.19 3.65 0.42 1.04 0.01 -1.26 -5.09 114.94 108.52 2wr2 s ASN 88 Ca -0.13 -2.49 -0.26 0.00 -0.71 0.00 0.00 52.86 49.27 2wr2 s ASN 88 Cb 0.23 -0.98 -0.10 0.00 0.41 0.00 0.00 41.25 40.81 2wr2 s ASN 88 CO 0.76 -0.29 1.36 -2.65 -1.51 0.00 0.00 177.10 174.77 2wr2 n PRO 89 N 3.72 2.16 0.04 -0.60 -0.02 -1.23 -4.92 135.00 134.14 2wr2 n PRO 89 Ca 0.08 0.77 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 2wr2 n PRO 89 Cb 0.35 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 2wr2 n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wr2 n VAL 90 N -0.08 0.86 -3.79 -1.45 0.31 -0.23 -4.79 118.33 109.17 2wr2 n VAL 90 Ca 0.05 -0.63 -0.36 0.00 -0.01 0.00 0.00 64.34 63.39 2wr2 n VAL 90 Cb 0.40 -0.49 -0.11 0.00 -0.91 0.00 0.00 33.84 32.73 2wr2 n VAL 90 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wr2 s ASN 91 N -5.44 5.17 0.00 4.52 0.02 -0.44 -4.96 114.94 113.81 2wr2 s ASN 91 Ca -0.04 -2.33 0.00 0.00 -1.02 0.00 0.00 52.86 49.47 2wr2 s ASN 91 Cb 0.10 -1.81 0.00 0.00 0.02 0.00 0.00 41.25 39.55 2wr2 s ASN 91 CO 0.82 -0.47 0.00 0.61 0.02 0.00 0.00 177.10 178.09 2wr2 n GLY 92 N 4.17 2.08 3.55 0.66 0.00 -1.26 -0.87 105.19 113.52 2wr2 n GLY 92 Ca 0.01 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2wr2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr2 s LEU 93 N 0.00 3.27 0.12 0.99 1.43 -1.26 -4.26 118.68 118.97 2wr2 s LEU 93 Ca 0.00 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 52.19 2wr2 s LEU 93 Cb 0.00 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 2wr2 s LEU 93 CO 0.00 -1.80 1.73 0.00 0.23 0.00 0.00 176.35 176.51 2wr2 s TYR 95 N -5.94 3.29 0.59 0.00 5.04 -1.26 -4.64 117.35 114.43 2wr2 s TYR 95 Ca -0.13 1.36 -0.20 0.00 -2.44 0.00 0.00 57.07 55.66 2wr2 s TYR 95 Cb 0.08 -3.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.00 2wr2 s TYR 95 CO 0.70 -0.55 1.26 -2.30 -1.34 0.00 0.00 175.55 173.32 2wr2 n PRO 96 N 6.43 1.33 0.00 4.97 -0.02 -1.26 -4.67 135.00 141.78 2wr2 n PRO 96 Ca 0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2wr2 n PRO 96 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2wr2 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr2 n GLY 97 N 0.92 -0.61 3.51 -1.23 0.00 -1.26 -0.94 105.19 105.59 2wr2 n GLY 97 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2wr2 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr2 s SER 98 N -4.00 -0.18 -0.24 1.61 1.04 -0.42 -4.94 113.70 106.58 2wr2 s SER 98 Ca 0.00 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 2wr2 s SER 98 Cb 0.00 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.75 2wr2 s SER 98 CO 0.00 -1.05 0.07 0.12 0.98 0.00 0.00 173.24 173.36 2wr2 s PHE 99 N -3.91 1.11 0.35 5.02 5.36 -1.26 -0.98 117.98 123.67 2wr2 s PHE 99 Ca 0.13 -1.10 -0.29 0.00 -0.96 0.00 0.00 56.93 54.71 2wr2 s PHE 99 Cb -0.00 -1.20 -0.11 0.00 -0.34 0.00 0.00 43.02 41.37 2wr2 s PHE 99 CO -0.00 -0.72 1.46 -0.80 -1.46 0.00 0.00 175.22 173.71 2wr2 s ASN 100 N 1.83 6.44 -1.71 6.13 0.02 0.21 -2.74 114.94 125.12 2wr2 s ASN 100 Ca 0.03 2.95 -0.19 0.00 -1.02 0.00 0.00 52.86 54.64 2wr2 s ASN 100 Cb -0.17 -2.66 0.16 0.00 0.02 0.00 0.00 41.25 38.60 2wr2 s ASN 100 CO -0.17 -0.81 0.79 0.47 0.02 0.00 0.00 177.10 177.40 2wr2 n ASP 101 N 0.83 -3.29 -0.28 -1.22 8.00 -1.26 -4.67 116.55 114.66 2wr2 n ASP 101 Ca 0.02 -1.02 -0.03 0.00 0.71 0.00 0.00 54.79 54.47 2wr2 n ASP 101 Cb 0.39 -2.74 0.09 0.00 -0.02 0.00 0.00 41.12 38.84 2wr2 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr2 h TYR 102 N -1.49 0.95 -0.49 1.24 3.20 -1.91 -1.93 116.97 116.54 2wr2 h TYR 102 Ca -0.59 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.21 2wr2 h TYR 102 Cb 1.38 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2wr2 h TYR 102 CO 0.64 0.56 -0.05 0.93 -1.64 0.00 0.00 178.16 178.60 2wr2 h GLU 103 N 1.00 0.86 -0.58 1.82 3.07 -1.88 -0.09 114.58 118.79 2wr2 h GLU 103 Ca 0.30 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 2wr2 h GLU 103 Cb -0.03 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 2wr2 h GLU 103 CO -0.09 0.89 0.14 0.93 -1.40 0.00 0.00 179.01 179.48 2wr2 h GLU 104 N 0.79 0.89 -0.17 2.33 4.39 -1.85 -0.84 114.58 120.11 2wr2 h GLU 104 Ca 0.14 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2wr2 h GLU 104 Cb 0.55 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2wr2 h GLU 104 CO 0.03 0.79 0.03 1.25 -1.16 0.00 0.00 179.01 179.95 2wr2 h LEU 105 N 0.85 0.28 -0.91 1.33 5.85 -0.68 -2.45 115.31 119.58 2wr2 h LEU 105 Ca 0.19 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2wr2 h LEU 105 Cb 0.31 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2wr2 h LEU 105 CO -0.00 0.47 0.48 0.11 -0.34 0.00 0.00 178.44 179.16 2wr2 h LYS 106 N 0.08 1.25 -0.47 1.25 1.57 -0.74 -1.65 116.57 117.87 2wr2 h LYS 106 Ca 0.05 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2wr2 h LYS 106 Cb 0.31 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2wr2 h LYS 106 CO 0.00 0.92 0.20 1.25 -0.57 0.00 0.00 179.45 181.25 2wr2 h HIS 107 N 1.26 0.65 -0.29 -1.35 2.76 -1.10 -3.03 115.15 114.05 2wr2 h HIS 107 Ca 0.31 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 2wr2 h HIS 107 Cb 0.04 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 2wr2 h HIS 107 CO 0.01 0.50 -0.22 1.25 -1.30 0.00 0.00 177.93 178.18 2wr2 h LEU 108 N 0.66 0.54 -3.21 0.26 5.85 -0.81 -3.22 115.31 115.38 2wr2 h LEU 108 Ca 0.16 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wr2 h LEU 108 Cb 0.11 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2wr2 h LEU 108 CO -0.02 0.76 0.00 2.30 -0.34 0.00 0.00 178.44 181.14 2wr2 n ILE 109 N -4.14 1.99 0.25 4.05 -5.35 -1.12 -4.49 119.36 110.56 2wr2 n ILE 109 Ca -0.00 -1.43 0.09 0.00 -0.27 0.00 0.00 62.75 61.14 2wr2 n ILE 109 Cb 0.39 -0.00 0.64 0.00 -1.74 0.00 0.00 39.64 38.93 2wr2 n ILE 109 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2wr2 h THR 110 N 2.93 0.88 -2.40 7.28 1.35 -1.55 -3.41 112.91 118.00 2wr2 h THR 110 Ca 0.00 -0.40 -0.21 0.00 -0.55 0.00 0.00 66.41 65.25 2wr2 h THR 110 Cb 1.41 1.23 -0.32 0.00 -1.73 0.00 0.00 68.15 68.74 2wr2 h THR 110 CO 0.23 0.11 -0.52 -0.55 -0.25 0.00 0.00 175.52 174.54 2wr2 s SER 111 N -6.68 0.54 0.29 5.36 0.15 -1.26 -3.38 113.70 108.71 2wr2 s SER 111 Ca -0.04 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2wr2 s SER 111 Cb 0.15 0.82 -0.06 0.00 -1.71 0.00 0.00 66.02 65.23 2wr2 s SER 111 CO 0.64 -0.28 0.08 0.68 1.20 0.00 0.00 173.24 175.56 2wr2 s VAL 112 N 2.46 0.83 0.00 4.45 -7.23 -0.98 -4.24 120.40 115.68 2wr2 s VAL 112 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2wr2 s VAL 112 Cb -0.14 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2wr2 s VAL 112 CO -0.12 -0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.73 2wr2 n THR 113 N -0.56 0.00 -3.35 5.32 5.66 0.21 -3.29 114.28 118.28 2wr2 n THR 113 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 2wr2 n THR 113 Cb 0.66 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.44 2wr2 n THR 113 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2wr2 s HIS 114 N 0.00 2.48 -0.17 1.09 5.65 -0.93 -4.16 115.29 119.24 2wr2 s HIS 114 Ca 0.00 -0.52 -0.05 0.00 0.25 0.00 0.00 55.06 54.73 2wr2 s HIS 114 Cb 0.00 -2.22 0.08 0.00 -1.18 0.00 0.00 32.58 29.26 2wr2 s HIS 114 CO 0.00 -0.38 0.33 0.12 -0.65 0.00 0.00 174.74 174.15 2wr2 s PHE 115 N -2.49 -0.58 -0.12 3.88 5.36 -0.80 0.18 117.98 123.41 2wr2 s PHE 115 Ca 0.51 1.11 -0.06 0.00 -0.96 0.00 0.00 56.93 57.54 2wr2 s PHE 115 Cb -0.06 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.75 2wr2 s PHE 115 CO 0.30 -0.45 0.27 -2.00 -1.46 0.00 0.00 175.22 171.89 2wr2 s GLU 116 N 2.49 0.21 0.06 10.12 2.12 -0.34 -4.61 118.70 128.75 2wr2 s GLU 116 Ca 0.02 0.64 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 2wr2 s GLU 116 Cb -0.13 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.14 2wr2 s GLU 116 CO -0.11 -0.20 1.10 0.21 -0.54 0.00 0.00 175.26 175.72 2wr2 s LYS 117 N 1.68 4.51 0.02 4.30 2.20 -1.26 -0.60 119.74 130.58 2wr2 s LYS 117 Ca -0.06 1.63 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 2wr2 s LYS 117 Cb -0.11 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2wr2 s LYS 117 CO -0.09 -0.13 -0.06 0.14 -0.36 0.00 0.00 175.35 174.85 2wr2 s VAL 118 N 0.85 0.40 -0.11 4.02 -7.23 0.12 -4.96 120.40 113.49 2wr2 s VAL 118 Ca 0.55 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 2wr2 s VAL 118 Cb -0.26 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2wr2 s VAL 118 CO 0.29 -0.15 1.09 -0.75 -0.31 0.00 0.00 175.10 175.28 2wr2 s LYS 119 N -0.82 4.36 -0.03 4.82 2.20 -1.26 -0.14 119.74 128.87 2wr2 s LYS 119 Ca -0.05 1.50 0.02 0.00 -0.36 0.00 0.00 55.97 57.08 2wr2 s LYS 119 Cb -0.06 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2wr2 s LYS 119 CO -0.00 -0.43 0.00 0.44 -0.36 0.00 0.00 175.35 175.00 2wr2 n ILE 120 N 4.74 0.17 -3.36 5.43 -5.35 -0.28 -4.88 119.36 115.84 2wr2 n ILE 120 Ca 0.10 -0.10 -0.26 0.00 -0.27 0.00 0.00 62.75 62.22 2wr2 n ILE 120 Cb 0.47 -0.89 -0.09 0.00 -1.74 0.00 0.00 39.64 37.40 2wr2 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr2 n LEU 121 N -2.16 0.60 -4.56 7.28 4.77 -0.98 -4.88 117.00 117.07 2wr2 n LEU 121 Ca -0.04 -4.71 -0.52 0.00 -0.03 0.00 0.00 56.01 50.71 2wr2 n LEU 121 Cb 0.58 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.94 2wr2 n LEU 121 CO 0.05 1.96 0.74 -2.65 -1.33 0.00 0.00 177.39 176.16 2wr2 n PRO 122 N 1.93 0.86 0.23 3.23 -0.02 -1.26 -4.54 135.00 135.42 2wr2 n PRO 122 Ca 0.25 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 2wr2 n PRO 122 Cb 0.48 -1.85 0.55 0.00 -0.02 0.00 0.00 33.50 32.66 2wr2 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr2 h ARG 123 N 3.73 0.00 0.00 -0.52 0.11 -1.94 -2.52 114.38 113.24 2wr2 h ARG 123 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2wr2 h ARG 123 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2wr2 h ARG 123 CO 0.72 0.22 0.00 -0.25 0.10 0.00 0.00 179.97 180.76 2wr2 n ASP 124 N -3.84 0.00 -0.53 0.08 9.92 -1.26 -2.00 116.55 118.93 2wr2 n ASP 124 Ca -0.02 0.44 0.14 0.00 -0.53 0.00 0.00 54.79 54.82 2wr2 n ASP 124 Cb 0.32 -0.47 0.45 0.00 -0.64 0.00 0.00 41.12 40.77 2wr2 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wr2 n GLN 125 N -1.47 1.68 -2.35 -1.24 6.02 -0.95 -4.36 117.38 114.71 2wr2 n GLN 125 Ca 0.04 -1.06 -0.43 0.00 -0.01 0.00 0.00 57.00 55.55 2wr2 n GLN 125 Cb 0.17 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2wr2 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr2 n TRP 126 N 0.26 4.21 0.24 1.08 7.02 -0.85 -4.80 117.44 124.60 2wr2 n TRP 126 Ca 0.18 -2.95 0.12 0.00 -1.02 0.00 0.00 57.50 53.83 2wr2 n TRP 126 Cb 0.39 -2.49 0.21 0.00 -2.42 0.00 0.00 31.31 27.00 2wr2 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr2 h THR 127 N 4.80 0.00 -0.24 -0.99 1.35 -1.86 -3.19 112.91 112.78 2wr2 h THR 127 Ca 0.46 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2wr2 h THR 127 Cb 0.78 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2wr2 h THR 127 CO 1.58 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.85 2wr2 n GLN 128 N -3.07 2.31 -4.23 4.72 6.02 -1.26 -4.94 117.38 116.93 2wr2 n GLN 128 Ca 0.04 -1.95 -0.18 0.00 -0.01 0.00 0.00 57.00 54.90 2wr2 n GLN 128 Cb 0.51 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 2wr2 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr2 s HIS 129 N -1.71 1.36 0.10 1.08 3.76 -1.21 -4.39 115.29 114.29 2wr2 s HIS 129 Ca 0.35 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 2wr2 s HIS 129 Cb 0.21 -0.72 -0.06 0.00 1.11 0.00 0.00 32.58 33.12 2wr2 s HIS 129 CO 0.31 0.12 1.02 0.99 -0.85 0.00 0.00 174.74 176.32 2wr2 s THR 130 N -1.95 4.38 0.00 1.30 2.01 0.10 -4.91 115.64 116.58 2wr2 s THR 130 Ca 0.06 1.92 0.00 0.00 0.31 0.00 0.00 61.69 63.98 2wr2 s THR 130 Cb -0.06 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2wr2 s THR 130 CO 0.03 0.27 0.57 0.35 -0.69 0.00 0.00 174.62 175.14 2wr2 n THR 131 N 2.97 0.17 1.47 -0.82 -2.24 -1.26 -0.42 114.28 114.15 2wr2 n THR 131 Ca 0.04 -0.56 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2wr2 n THR 131 Cb 0.49 0.95 0.53 0.00 -2.10 0.00 0.00 70.33 70.20 2wr2 n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wr2 n THR 132 N -0.09 0.00 -1.65 4.28 -2.24 -1.26 -4.87 114.28 108.46 2wr2 n THR 132 Ca 0.00 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2wr2 n THR 132 Cb 0.06 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2wr2 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 133 N 1.21 0.17 0.17 3.38 0.00 -1.26 -5.00 105.19 103.86 2wr2 n GLY 133 Ca 0.18 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 2wr2 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr2 n GLY 134 N 0.99 2.86 3.20 -0.02 0.00 -1.26 -4.81 105.19 106.15 2wr2 n GLY 134 Ca 0.07 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2wr2 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr2 s SER 135 N -1.11 -0.25 0.00 1.61 0.15 0.28 -4.79 113.70 109.60 2wr2 s SER 135 Ca 0.01 0.36 0.12 0.00 0.70 0.00 0.00 55.95 57.15 2wr2 s SER 135 Cb -0.00 0.48 0.53 0.00 -1.71 0.00 0.00 66.02 65.32 2wr2 s SER 135 CO 0.01 -0.25 1.37 0.54 1.20 0.00 0.00 173.24 176.12 2wr2 n ARG 136 N 2.22 0.03 0.18 5.44 1.74 -1.26 -1.46 116.66 123.54 2wr2 n ARG 136 Ca -0.17 0.27 0.03 0.00 -0.77 0.00 0.00 57.85 57.22 2wr2 n ARG 136 Cb 0.57 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.85 2wr2 n ARG 136 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wr2 h ALA 137 N 2.44 1.18 -0.60 7.54 0.00 -1.89 -2.91 119.26 125.03 2wr2 h ALA 137 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 2wr2 h ALA 137 Cb 0.19 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.73 2wr2 h ALA 137 CO 0.00 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.97 2wr2 n ALA 139 N -1.11 0.35 -3.83 0.00 0.00 -1.10 -3.98 120.51 110.83 2wr2 n ALA 139 Ca 0.43 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 54.02 2wr2 n ALA 139 Cb 1.28 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 2wr2 n ALA 139 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wr2 s VAL 140 N 0.11 1.22 0.00 0.00 1.01 -0.83 -4.85 120.40 117.05 2wr2 s VAL 140 Ca 0.73 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2wr2 s VAL 140 Cb -0.75 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2wr2 s VAL 140 CO 0.48 -0.47 0.00 -0.11 0.00 0.00 0.00 175.10 175.00 2wr2 n LEU 141 N 4.73 -0.42 -3.89 3.92 0.00 -1.26 -1.47 117.00 118.62 2wr2 n LEU 141 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.68 2wr2 n LEU 141 Cb 0.43 -0.43 -0.13 0.00 0.00 0.00 0.00 43.42 43.29 2wr2 n LEU 141 CO 0.15 0.00 -0.15 1.51 0.00 0.00 0.00 177.39 178.90 2wr2 s ASP 142 N -2.86 4.29 0.35 1.96 3.84 -1.26 -5.13 116.67 117.86 2wr2 s ASP 142 Ca 0.00 -3.22 0.08 0.00 -0.00 0.00 0.00 52.55 49.40 2wr2 s ASP 142 Cb 0.00 -1.52 -0.03 0.00 -1.38 0.00 0.00 42.92 39.99 2wr2 s ASP 142 CO 0.00 -0.19 0.25 0.20 -0.00 0.00 0.00 175.17 175.43 2wr2 s ASN 143 N -0.55 5.02 0.43 2.11 0.02 -0.54 -5.02 114.94 116.41 2wr2 s ASN 143 Ca 0.20 -0.64 -0.25 0.00 -1.02 0.00 0.00 52.86 51.15 2wr2 s ASN 143 Cb -0.18 -0.82 -0.10 0.00 0.02 0.00 0.00 41.25 40.17 2wr2 s ASN 143 CO -0.06 -0.38 1.17 -2.65 0.02 0.00 0.00 177.10 175.20 2wr2 n PRO 144 N -1.31 1.66 -0.15 -0.60 -0.02 -1.26 -1.97 135.00 131.35 2wr2 n PRO 144 Ca -0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2wr2 n PRO 144 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2wr2 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr2 n SER 145 N 0.23 0.00 -3.50 2.55 2.88 -0.72 -4.71 113.62 110.36 2wr2 n SER 145 Ca 0.08 -0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2wr2 n SER 145 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 2wr2 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr2 s PHE 146 N -1.69 -0.39 -0.20 0.66 5.36 -1.26 0.10 117.98 120.57 2wr2 s PHE 146 Ca 0.00 0.29 -0.42 0.00 -0.96 0.00 0.00 56.93 55.84 2wr2 s PHE 146 Cb 0.00 0.53 -0.19 0.00 -0.34 0.00 0.00 43.02 43.02 2wr2 s PHE 146 CO 0.00 -0.58 1.34 1.19 -1.46 0.00 0.00 175.22 175.71 2wr2 n PHE 147 N -0.16 1.23 0.25 10.12 3.72 -1.26 -4.68 117.46 126.68 2wr2 n PHE 147 Ca -0.10 1.02 0.13 0.00 -0.05 0.00 0.00 57.45 58.45 2wr2 n PHE 147 Cb 0.62 -2.19 0.30 0.00 -0.94 0.00 0.00 39.48 37.27 2wr2 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr2 h ARG 148 N 4.18 0.00 -0.01 -1.08 3.08 -1.10 -2.98 114.38 116.47 2wr2 h ARG 148 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wr2 h ARG 148 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2wr2 h ARG 148 CO 0.81 0.00 -0.30 0.09 -1.07 0.00 0.00 179.97 179.50 2wr2 n ASN 149 N -3.07 1.21 -4.60 7.04 3.02 -0.86 -4.96 115.26 113.04 2wr2 n ASN 149 Ca 0.03 -1.01 -0.27 0.00 -0.03 0.00 0.00 54.58 53.30 2wr2 n ASN 149 Cb 0.47 0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.73 2wr2 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr2 s MET 150 N -2.49 1.94 0.00 3.52 -1.94 -1.13 -0.77 119.30 118.43 2wr2 s MET 150 Ca 0.23 -2.01 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 2wr2 s MET 150 Cb 0.19 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.32 2wr2 s MET 150 CO 0.53 0.03 0.00 0.28 -0.01 0.00 0.00 175.02 175.84 2wr2 n VAL 151 N -0.93 0.00 -3.66 -6.03 0.31 0.16 -4.83 118.33 103.36 2wr2 n VAL 151 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2wr2 n VAL 151 Cb 0.65 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.51 2wr2 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr2 s LEU 153 N 0.00 -0.78 0.14 7.52 1.43 -1.22 -1.00 118.68 124.77 2wr2 s LEU 153 Ca 0.00 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2wr2 s LEU 153 Cb 0.00 2.05 -0.04 0.00 0.03 0.00 0.00 46.19 48.23 2wr2 s LEU 153 CO 0.00 -0.23 -0.12 0.42 0.23 0.00 0.00 176.35 176.65 2wr2 s THR 154 N 1.93 1.26 0.57 5.49 -4.23 0.44 -4.72 115.64 116.38 2wr2 s THR 154 Ca -0.08 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 2wr2 s THR 154 Cb -0.08 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.01 2wr2 s THR 154 CO -0.18 -0.58 0.82 2.29 -0.54 0.00 0.00 174.62 176.44 2wr2 n LYS 155 N 0.16 0.82 -4.05 3.99 2.85 -0.40 0.03 118.16 121.55 2wr2 n LYS 155 Ca -0.13 0.31 -0.35 0.00 -1.05 0.00 0.00 58.31 57.10 2wr2 n LYS 155 Cb 0.59 -1.99 -0.13 0.00 -0.65 0.00 0.00 35.03 32.84 2wr2 n LYS 155 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2wr2 s LYS 156 N -2.44 3.54 4.97 -1.58 2.20 -0.57 -4.16 119.74 121.71 2wr2 s LYS 156 Ca 0.72 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 2wr2 s LYS 156 Cb -0.45 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2wr2 s LYS 156 CO 0.51 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 2wr2 n GLY 157 N 4.40 1.10 1.04 5.54 0.00 -1.26 -1.82 105.19 114.20 2wr2 n GLY 157 Ca -0.17 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2wr2 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr2 n SER 158 N 9.51 1.06 -3.88 1.61 3.41 -1.26 -5.06 113.62 119.02 2wr2 n SER 158 Ca 0.00 -2.47 -0.19 0.00 -0.26 0.00 0.00 58.87 55.95 2wr2 n SER 158 Cb 0.00 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 63.45 2wr2 n SER 158 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2wr2 s ASN 159 N -2.14 0.72 -0.55 4.04 3.84 -0.76 -4.94 114.94 115.15 2wr2 s ASN 159 Ca 0.29 -0.09 0.01 0.00 0.21 0.00 0.00 52.86 53.28 2wr2 s ASN 159 Cb 0.31 -0.34 0.14 0.00 -0.55 0.00 0.00 41.25 40.81 2wr2 s ASN 159 CO -0.11 -0.06 0.32 -0.47 -2.79 0.00 0.00 177.10 174.00 2wr2 s TYR 160 N 0.83 3.30 0.85 0.43 5.04 -1.26 -1.51 117.35 125.03 2wr2 s TYR 160 Ca -0.10 -2.98 -0.11 0.00 -2.44 0.00 0.00 57.07 51.43 2wr2 s TYR 160 Cb -0.13 -2.98 0.10 0.00 0.35 0.00 0.00 41.96 39.31 2wr2 s TYR 160 CO -0.00 -0.79 1.09 -2.14 -1.34 0.00 0.00 175.55 172.37 2wr2 s PRO 161 N -0.14 1.61 0.24 4.97 0.02 -1.26 -4.90 135.00 135.54 2wr2 s PRO 161 Ca 0.17 0.76 -0.31 0.00 0.02 0.00 0.00 61.00 61.64 2wr2 s PRO 161 Cb -0.23 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.30 2wr2 s PRO 161 CO -0.02 -1.98 1.35 1.51 -0.33 0.00 0.00 177.00 177.54 2wr2 n ILE 162 N -3.70 1.06 -3.47 2.83 3.06 -1.26 -4.87 119.36 113.01 2wr2 n ILE 162 Ca 0.07 -0.26 -0.43 0.00 -2.50 0.00 0.00 62.75 59.63 2wr2 n ILE 162 Cb 0.56 -1.39 -0.10 0.00 0.54 0.00 0.00 39.64 39.25 2wr2 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr2 s ALA 163 N -0.19 3.46 -0.18 1.51 0.00 0.69 -4.96 121.76 122.10 2wr2 s ALA 163 Ca 0.67 -1.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 2wr2 s ALA 163 Cb -0.67 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 19.63 2wr2 s ALA 163 CO 0.51 -1.53 0.06 0.21 0.00 0.00 0.00 175.76 175.01 2wr2 s LYS 164 N 1.64 0.38 0.06 0.00 2.20 -1.26 -1.17 119.74 121.60 2wr2 s LYS 164 Ca 0.04 -0.24 -0.07 0.00 -0.36 0.00 0.00 55.97 55.34 2wr2 s LYS 164 Cb -0.21 -1.92 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2wr2 s LYS 164 CO 0.08 -0.64 0.14 1.03 -0.36 0.00 0.00 175.35 175.61 2wr2 s ARG 165 N 1.99 0.74 0.05 4.03 0.52 -0.96 -5.03 118.95 120.28 2wr2 s ARG 165 Ca 0.01 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2wr2 s ARG 165 Cb -0.16 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 2wr2 s ARG 165 CO -0.08 -0.21 -0.03 -1.54 0.02 0.00 0.00 175.30 173.46 2wr2 s SER 166 N -2.58 0.48 -0.02 0.23 1.04 -1.26 -1.24 113.70 110.34 2wr2 s SER 166 Ca 0.01 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.57 2wr2 s SER 166 Cb 0.03 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2wr2 s SER 166 CO -0.08 -0.53 -0.09 -0.47 0.98 0.00 0.00 173.24 173.04 2wr2 s TYR 167 N -3.43 0.94 -0.24 5.02 5.04 -0.72 -4.97 117.35 118.99 2wr2 s TYR 167 Ca 0.03 -0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.33 2wr2 s TYR 167 Cb 0.04 -0.66 -0.05 0.00 0.35 0.00 0.00 41.96 41.64 2wr2 s TYR 167 CO -0.08 -0.09 0.14 1.21 -1.34 0.00 0.00 175.55 175.39 2wr2 s ASN 168 N 0.16 5.93 -1.20 4.32 3.84 -1.26 -0.74 114.94 125.98 2wr2 s ASN 168 Ca -0.02 0.05 -0.20 0.00 0.21 0.00 0.00 52.86 52.89 2wr2 s ASN 168 Cb -0.08 -2.07 0.01 0.00 -0.55 0.00 0.00 41.25 38.56 2wr2 s ASN 168 CO 0.00 0.04 1.77 0.21 -2.79 0.00 0.00 177.10 176.34 2wr2 s ASN 169 N 1.18 6.16 -0.08 -4.21 2.47 -0.67 -4.70 114.94 115.09 2wr2 s ASN 169 Ca 0.07 -1.97 0.13 0.00 0.42 0.00 0.00 52.86 51.50 2wr2 s ASN 169 Cb -0.14 -2.58 0.51 0.00 -1.45 0.00 0.00 41.25 37.59 2wr2 s ASN 169 CO 0.05 -1.87 1.38 0.35 -3.72 0.00 0.00 177.10 173.29 2wr2 n THR 170 N 6.97 1.29 0.22 -5.21 -2.24 -1.26 -0.45 114.28 113.60 2wr2 n THR 170 Ca 0.45 -0.83 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 2wr2 n THR 170 Cb 0.47 0.01 0.20 0.00 -2.10 0.00 0.00 70.33 68.91 2wr2 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr2 h SER 171 N 2.90 0.00 0.00 3.42 4.64 -1.99 -3.48 113.55 119.05 2wr2 h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wr2 h SER 171 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wr2 h SER 171 CO 0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 2wr2 n GLY 172 N 1.04 0.99 3.15 -0.77 0.00 -1.26 -5.06 105.19 103.28 2wr2 n GLY 172 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2wr2 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr2 s GLU 173 N -0.84 0.79 0.52 1.61 2.02 -1.26 -5.00 118.70 116.53 2wr2 s GLU 173 Ca 0.00 -1.28 -0.22 0.00 0.02 0.00 0.00 54.97 53.49 2wr2 s GLU 173 Cb 0.00 -0.17 -0.07 0.00 0.10 0.00 0.00 34.13 33.99 2wr2 s GLU 173 CO 0.00 -0.02 1.23 1.04 0.02 0.00 0.00 175.26 177.53 2wr2 n GLN 174 N 0.10 1.57 -4.90 1.61 6.02 -1.26 -4.50 117.38 116.02 2wr2 n GLN 174 Ca -0.13 0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 57.16 2wr2 n GLN 174 Cb 0.60 -2.40 -0.17 0.00 1.02 0.00 0.00 30.24 29.29 2wr2 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr2 s MET 175 N -2.62 2.18 -0.08 -1.09 -2.45 -0.23 -1.05 119.30 113.96 2wr2 s MET 175 Ca 0.69 -0.64 -0.23 0.00 -1.25 0.00 0.00 55.69 54.26 2wr2 s MET 175 Cb -0.45 -1.76 -0.04 0.00 1.25 0.00 0.00 34.83 33.83 2wr2 s MET 175 CO 0.52 0.16 0.69 -1.17 1.05 0.00 0.00 175.02 176.27 2wr2 s LEU 176 N 0.32 4.30 -0.06 4.11 2.96 0.10 0.05 118.68 130.46 2wr2 s LEU 176 Ca -0.12 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 2wr2 s LEU 176 Cb -0.15 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.51 2wr2 s LEU 176 CO 0.05 -0.13 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.24 2wr2 s ILE 177 N 0.91 0.80 -0.04 6.68 1.01 -0.71 -1.15 121.20 128.69 2wr2 s ILE 177 Ca 0.36 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2wr2 s ILE 177 Cb -0.17 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2wr2 s ILE 177 CO 0.17 0.29 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 2wr2 s ILE 178 N 0.88 2.82 0.22 2.92 1.01 -1.26 -1.81 121.20 125.98 2wr2 s ILE 178 Ca -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 2wr2 s ILE 178 Cb -0.15 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2wr2 s ILE 178 CO 0.01 0.59 0.22 -1.66 0.00 0.00 0.00 174.94 174.10 2wr2 s TRP 179 N -0.69 1.02 0.27 3.97 -2.14 -0.56 -4.07 118.94 116.75 2wr2 s TRP 179 Ca 0.11 -1.25 0.03 0.00 2.66 0.00 0.00 56.10 57.64 2wr2 s TRP 179 Cb -0.11 -0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 29.84 2wr2 s TRP 179 CO 0.00 -0.74 0.22 0.20 -2.66 0.00 0.00 176.95 173.97 2wr2 s GLY 180 N -3.14 1.85 -0.00 3.67 0.00 -0.17 -0.02 107.32 109.51 2wr2 s GLY 180 Ca 0.35 -1.85 0.02 0.00 0.00 0.00 0.00 44.72 43.24 2wr2 s GLY 180 CO 0.13 -1.40 -0.06 -1.50 0.00 0.00 0.00 173.10 170.26 2wr2 s ILE 181 N -3.77 0.47 -0.17 0.90 2.07 -0.04 -1.14 121.20 119.52 2wr2 s ILE 181 Ca 0.39 -0.32 -0.09 0.00 -1.41 0.00 0.00 60.65 59.22 2wr2 s ILE 181 Cb 0.04 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.18 2wr2 s ILE 181 CO 0.20 0.09 0.13 -2.28 -1.91 0.00 0.00 174.94 171.17 2wr2 s HIS 182 N -0.24 3.47 -0.42 3.50 5.65 -0.43 -0.71 115.29 126.11 2wr2 s HIS 182 Ca 0.01 0.40 -0.06 0.00 0.25 0.00 0.00 55.06 55.66 2wr2 s HIS 182 Cb -0.03 -2.08 0.10 0.00 -1.18 0.00 0.00 32.58 29.40 2wr2 s HIS 182 CO -0.00 0.45 0.24 -1.01 -0.65 0.00 0.00 174.74 173.77 2wr2 s HIS 183 N -0.15 3.46 1.14 3.88 0.09 0.12 -4.80 115.29 119.03 2wr2 s HIS 183 Ca 0.10 -2.01 -0.17 0.00 -0.00 0.00 0.00 55.06 52.98 2wr2 s HIS 183 Cb -0.11 -3.16 0.26 0.00 -0.00 0.00 0.00 32.58 29.56 2wr2 s HIS 183 CO 0.00 -0.94 1.10 -2.14 -0.00 0.00 0.00 174.74 172.76 2wr2 s PRO 184 N 1.28 -0.72 0.12 8.40 0.02 -1.26 -2.10 135.00 140.74 2wr2 s PRO 184 Ca 0.05 0.15 0.04 0.00 0.02 0.00 0.00 61.00 61.27 2wr2 s PRO 184 Cb -0.24 -1.64 -0.19 0.00 0.02 0.00 0.00 34.50 32.46 2wr2 s PRO 184 CO -0.02 -3.42 1.27 -0.91 -0.33 0.00 0.00 177.00 173.60 2wr2 h ASN 185 N -2.38 0.11 -5.19 2.53 2.35 -1.88 -3.37 115.58 107.74 2wr2 h ASN 185 Ca -0.49 -0.11 0.14 0.00 -0.55 0.00 0.00 56.30 55.29 2wr2 h ASN 185 Cb 1.31 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.57 2wr2 h ASN 185 CO 0.43 1.06 0.39 1.51 -1.65 0.00 0.00 177.43 179.17 2wr2 s ASP 186 N -6.82 -0.21 0.39 5.81 1.47 -1.26 -4.43 116.67 111.61 2wr2 s ASP 186 Ca -0.00 -0.46 0.06 0.00 1.18 0.00 0.00 52.55 53.33 2wr2 s ASP 186 Cb 0.10 0.57 0.80 0.00 -0.34 0.00 0.00 42.92 44.04 2wr2 s ASP 186 CO 0.83 -1.05 2.02 0.44 0.68 0.00 0.00 175.17 178.09 2wr2 h ASP 187 N 2.00 0.56 -0.60 2.11 3.32 -1.99 -1.74 116.42 120.09 2wr2 h ASP 187 Ca -0.22 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 2wr2 h ASP 187 Cb 1.24 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2wr2 h ASP 187 CO 0.25 0.39 0.27 0.00 -1.72 0.00 0.00 179.24 178.43 2wr2 h ALA 188 N 1.68 1.28 -0.01 3.45 0.00 -1.99 -1.00 119.26 122.66 2wr2 h ALA 188 Ca 0.22 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2wr2 h ALA 188 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wr2 h ALA 188 CO -0.06 0.54 -0.83 1.49 0.00 0.00 0.00 179.25 180.39 2wr2 h GLU 189 N 0.90 0.21 -0.51 0.00 4.81 -1.75 -1.89 114.58 116.36 2wr2 h GLU 189 Ca 0.22 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2wr2 h GLU 189 Cb 0.15 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2wr2 h GLU 189 CO -0.02 0.92 0.33 0.37 -0.73 0.00 0.00 179.01 179.88 2wr2 h GLN 190 N 0.12 0.64 -0.29 1.92 5.75 -0.85 -0.80 115.11 121.60 2wr2 h GLN 190 Ca -0.04 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 2wr2 h GLN 190 Cb 1.43 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2wr2 h GLN 190 CO 0.13 0.42 -0.33 0.00 -2.65 0.00 0.00 178.83 176.40 2wr2 h ARG 191 N 0.66 0.64 -0.47 1.69 3.08 -1.13 0.19 114.38 119.04 2wr2 h ARG 191 Ca 0.19 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2wr2 h ARG 191 Cb -0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2wr2 h ARG 191 CO -0.06 0.89 -0.15 1.15 -1.07 0.00 0.00 179.97 180.73 2wr2 h THR 192 N 0.54 1.27 0.13 2.04 2.02 -1.02 0.50 112.91 118.39 2wr2 h THR 192 Ca 0.06 -1.27 -0.23 0.00 0.77 0.00 0.00 66.41 65.73 2wr2 h THR 192 Cb 0.84 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2wr2 h THR 192 CO 0.07 0.44 -1.11 -0.07 0.37 0.00 0.00 175.52 175.22 2wr2 h LEU 193 N 0.80 0.44 -0.82 2.58 3.38 -1.09 -3.42 115.31 117.18 2wr2 h LEU 193 Ca 0.12 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2wr2 h LEU 193 Cb 0.68 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wr2 h LEU 193 CO 0.05 1.51 0.00 -1.22 0.09 0.00 0.00 178.44 178.87 2wr2 n TYR 194 N -4.02 0.00 0.00 1.13 4.01 0.05 -1.28 117.16 117.05 2wr2 n TYR 194 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2wr2 n TYR 194 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 2wr2 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr2 n GLN 195 N -0.03 0.00 -2.17 -0.72 -0.06 0.16 -4.48 117.38 110.09 2wr2 n GLN 195 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 2wr2 n GLN 195 Cb 0.04 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.23 2wr2 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr2 s ASN 196 N 0.00 6.05 -0.14 1.69 0.01 -1.26 -4.61 114.94 116.67 2wr2 s ASN 196 Ca 0.00 1.14 -0.10 0.00 -0.71 0.00 0.00 52.86 53.20 2wr2 s ASN 196 Cb 0.00 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.36 2wr2 s ASN 196 CO 0.00 -0.87 -0.22 0.52 -1.51 0.00 0.00 177.10 175.02 2wr2 n VAL 197 N -2.62 1.10 -2.24 1.60 0.31 -1.26 -4.47 118.33 110.75 2wr2 n VAL 197 Ca 0.04 -0.09 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 2wr2 n VAL 197 Cb 0.55 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2wr2 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr2 n GLY 198 N 2.00 4.10 4.02 2.92 0.00 -1.26 -4.96 105.19 112.02 2wr2 n GLY 198 Ca -0.26 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 2wr2 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr2 s THR 199 N 2.18 2.59 0.13 2.61 -4.23 -1.26 -5.06 115.64 112.60 2wr2 s THR 199 Ca 0.45 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 2wr2 s THR 199 Cb 0.09 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.33 2wr2 s THR 199 CO -0.02 0.00 0.33 -0.72 -0.54 0.00 0.00 174.62 173.67 2wr2 s TYR 200 N -2.52 0.04 -0.22 3.99 -0.85 -1.26 -4.32 117.35 112.22 2wr2 s TYR 200 Ca 0.58 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.73 2wr2 s TYR 200 Cb -0.08 0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.42 2wr2 s TYR 200 CO 0.36 -0.69 -0.08 0.08 -1.52 0.00 0.00 175.55 173.71 2wr2 s VAL 201 N -3.87 1.57 -0.13 -3.49 1.01 0.12 -2.39 120.40 113.23 2wr2 s VAL 201 Ca 0.07 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2wr2 s VAL 201 Cb 0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2wr2 s VAL 201 CO -0.08 0.03 -0.06 -0.44 0.00 0.00 0.00 175.10 174.54 2wr2 s SER 202 N 1.40 4.61 -0.06 3.32 0.01 0.47 -0.88 113.70 122.57 2wr2 s SER 202 Ca -0.04 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2wr2 s SER 202 Cb -0.18 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.46 2wr2 s SER 202 CO -0.07 0.22 -0.11 -0.69 0.41 0.00 0.00 173.24 172.99 2wr2 s VAL 203 N 0.07 1.05 -0.02 3.43 1.01 -0.07 -0.63 120.40 125.24 2wr2 s VAL 203 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2wr2 s VAL 203 Cb -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2wr2 s VAL 203 CO 0.03 0.33 0.05 -0.83 0.00 0.00 0.00 175.10 174.69 2wr2 s GLY 204 N 0.63 0.01 0.00 4.51 0.00 -0.43 -1.01 107.32 111.03 2wr2 s GLY 204 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2wr2 s GLY 204 CO 0.03 0.40 0.00 -1.30 0.00 0.00 0.00 173.10 172.23 2wr2 n THR 205 N 3.56 0.00 1.40 0.90 -2.24 0.42 -0.11 114.28 118.22 2wr2 n THR 205 Ca -0.19 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 2wr2 n THR 205 Cb 0.56 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.44 2wr2 n THR 205 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr2 n SER 206 N -0.84 0.31 0.00 3.42 3.41 -1.26 -3.87 113.62 114.79 2wr2 n SER 206 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2wr2 n SER 206 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2wr2 n SER 206 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wr2 n THR 207 N -1.08 0.00 -4.36 6.66 -2.24 -1.26 -5.05 114.28 106.95 2wr2 n THR 207 Ca 0.14 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 2wr2 n THR 207 Cb 0.27 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 2wr2 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr2 s LEU 208 N -3.31 3.34 -0.31 3.22 0.20 -1.25 -5.06 118.68 115.50 2wr2 s LEU 208 Ca 0.00 -0.09 0.01 0.00 0.69 0.00 0.00 54.13 54.74 2wr2 s LEU 208 Cb 0.00 -1.81 0.10 0.00 -0.43 0.00 0.00 46.19 44.05 2wr2 s LEU 208 CO 0.00 0.18 0.07 0.21 -0.29 0.00 0.00 176.35 176.53 2wr2 s ASN 209 N 0.28 4.24 -0.06 3.68 2.47 -1.26 -0.44 114.94 123.86 2wr2 s ASN 209 Ca -0.02 -1.77 0.03 0.00 0.42 0.00 0.00 52.86 51.52 2wr2 s ASN 209 Cb -0.14 -1.12 0.01 0.00 -1.45 0.00 0.00 41.25 38.55 2wr2 s ASN 209 CO 0.03 -0.39 -0.14 -0.75 -3.72 0.00 0.00 177.10 172.12 2wr2 s LYS 210 N 1.38 1.73 -0.03 0.43 2.20 -0.18 -5.02 119.74 120.25 2wr2 s LYS 210 Ca 0.09 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 2wr2 s LYS 210 Cb -0.18 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.68 2wr2 s LYS 210 CO -0.19 0.11 -0.20 0.50 -0.36 0.00 0.00 175.35 175.21 2wr2 s ARG 211 N 0.42 1.89 -0.00 4.03 3.52 -1.26 -0.89 118.95 126.65 2wr2 s ARG 211 Ca -0.11 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 54.83 2wr2 s ARG 211 Cb -0.14 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.52 2wr2 s ARG 211 CO 0.03 0.37 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.55 2wr2 s SER 212 N -0.25 2.65 0.19 -2.12 0.01 -0.06 -4.97 113.70 109.15 2wr2 s SER 212 Ca 0.02 -0.44 0.10 0.00 1.31 0.00 0.00 55.95 56.94 2wr2 s SER 212 Cb -0.10 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2wr2 s SER 212 CO 0.01 0.25 -0.16 0.27 0.41 0.00 0.00 173.24 174.03 2wr2 s ILE 213 N -0.60 2.81 0.26 1.44 -4.36 -1.26 -0.70 121.20 118.79 2wr2 s ILE 213 Ca 0.09 -1.87 -0.30 0.00 -0.26 0.00 0.00 60.65 58.30 2wr2 s ILE 213 Cb -0.09 -2.38 -0.11 0.00 1.25 0.00 0.00 42.46 41.13 2wr2 s ILE 213 CO -0.00 -0.14 1.59 -2.84 0.24 0.00 0.00 174.94 173.79 2wr2 s PRO 214 N -2.83 4.15 -0.54 0.37 0.02 -1.26 -4.98 135.00 129.93 2wr2 s PRO 214 Ca 0.24 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 2wr2 s PRO 214 Cb -0.08 -3.06 0.14 0.00 0.02 0.00 0.00 34.50 31.52 2wr2 s PRO 214 CO 0.13 -0.62 0.33 -1.21 -0.33 0.00 0.00 177.00 175.30 2wr2 s GLU 215 N -0.05 2.27 -0.03 5.54 2.02 -1.26 -5.05 118.70 122.14 2wr2 s GLU 215 Ca 0.65 -2.32 -0.29 0.00 0.02 0.00 0.00 54.97 53.04 2wr2 s GLU 215 Cb -0.47 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 2wr2 s GLU 215 CO 0.43 -1.12 0.94 0.42 0.02 0.00 0.00 175.26 175.94 2wr2 s ILE 216 N 0.28 4.88 0.03 -1.63 1.01 -1.26 -4.78 121.20 119.74 2wr2 s ILE 216 Ca 0.14 1.96 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 2wr2 s ILE 216 Cb -0.22 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.00 2wr2 s ILE 216 CO -0.03 0.15 0.29 0.00 0.00 0.00 0.00 174.94 175.35 2wr2 s ALA 217 N 1.16 -0.67 -0.02 9.38 0.00 -1.26 -5.04 121.76 125.31 2wr2 s ALA 217 Ca 0.49 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 2wr2 s ALA 217 Cb -0.20 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2wr2 s ALA 217 CO 0.25 -0.38 1.18 0.99 0.00 0.00 0.00 175.76 177.80 2wr2 s THR 218 N -2.33 4.25 0.01 0.00 2.01 -1.26 -4.75 115.64 113.56 2wr2 s THR 218 Ca -0.07 1.59 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 2wr2 s THR 218 Cb -0.02 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2wr2 s THR 218 CO -0.02 0.04 0.02 -0.13 -0.69 0.00 0.00 174.62 173.83 2wr2 s ARG 219 N 1.85 0.28 0.64 4.92 0.52 -1.26 -5.15 118.95 120.75 2wr2 s ARG 219 Ca 0.56 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.20 2wr2 s ARG 219 Cb -0.25 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.31 2wr2 s ARG 219 CO 0.24 -0.05 1.13 -2.14 0.02 0.00 0.00 175.30 174.50 2wr2 s PRO 220 N -1.08 2.85 0.06 3.54 0.02 -1.26 -4.69 135.00 134.44 2wr2 s PRO 220 Ca -0.12 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.09 2wr2 s PRO 220 Cb -0.07 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 2wr2 s PRO 220 CO -0.00 -1.23 1.37 0.15 -0.33 0.00 0.00 177.00 176.96 2wr2 s LYS 221 N -3.86 4.32 -0.11 5.54 1.02 -1.26 -4.49 119.74 120.90 2wr2 s LYS 221 Ca 0.70 1.99 0.02 0.00 0.02 0.00 0.00 55.97 58.70 2wr2 s LYS 221 Cb -0.23 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 2wr2 s LYS 221 CO 0.38 -0.46 -0.20 0.08 -0.92 0.00 0.00 175.35 174.23 2wr2 s VAL 222 N 1.60 2.42 -0.97 3.17 1.01 -0.15 -4.55 120.40 122.92 2wr2 s VAL 222 Ca 0.63 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2wr2 s VAL 222 Cb -0.34 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2wr2 s VAL 222 CO 0.29 0.55 0.12 0.59 0.00 0.00 0.00 175.10 176.64 2wr2 n ASN 223 N 3.53 -3.48 0.00 3.32 3.02 -1.26 -1.16 115.26 119.23 2wr2 n ASN 223 Ca -0.19 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2wr2 n ASN 223 Cb 0.53 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 2wr2 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr2 n GLY 224 N -0.85 0.94 3.25 7.41 0.00 -1.26 -4.23 105.19 110.45 2wr2 n GLY 224 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2wr2 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr2 s GLN 225 N -0.48 2.08 0.21 1.61 -1.52 -0.31 -4.92 119.66 116.34 2wr2 s GLN 225 Ca 0.00 -0.84 0.20 0.00 -1.95 0.00 0.00 55.36 52.77 2wr2 s GLN 225 Cb 0.00 -1.91 0.03 0.00 -0.22 0.00 0.00 33.01 30.91 2wr2 s GLN 225 CO 0.00 0.44 1.13 0.78 -0.25 0.00 0.00 175.29 177.39 2wr2 h GLY 226 N 5.78 0.00 -1.05 3.09 0.00 -1.84 -0.38 103.07 108.67 2wr2 h GLY 226 Ca -0.38 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.47 2wr2 h GLY 226 CO 0.47 0.00 0.33 -0.32 0.00 0.00 0.00 176.54 177.03 2wr2 s GLY 227 N -4.47 1.62 0.06 4.60 0.00 -1.26 -4.63 107.32 103.24 2wr2 s GLY 227 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2wr2 s GLY 227 CO 0.77 0.22 -0.07 0.50 0.00 0.00 0.00 173.10 174.53 2wr2 s ARG 228 N -5.15 0.62 -0.04 2.90 1.81 -0.89 -4.58 118.95 113.61 2wr2 s ARG 228 Ca 0.61 -0.97 0.06 0.00 -1.72 0.00 0.00 55.73 53.70 2wr2 s ARG 228 Cb -0.15 -0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.16 2wr2 s ARG 228 CO 0.54 0.01 -0.22 -1.64 -0.68 0.00 0.00 175.30 173.31 2wr2 s MET 229 N -2.50 2.14 -0.24 3.54 -1.94 -0.11 0.16 119.30 120.34 2wr2 s MET 229 Ca -0.02 -0.79 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2wr2 s MET 229 Cb -0.04 -1.88 0.02 0.00 2.01 0.00 0.00 34.83 34.95 2wr2 s MET 229 CO -0.02 0.37 -0.08 -2.00 -0.01 0.00 0.00 175.02 173.28 2wr2 s GLU 230 N -0.20 2.86 -0.01 2.03 2.12 0.11 -1.30 118.70 124.31 2wr2 s GLU 230 Ca -0.00 -0.96 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 2wr2 s GLU 230 Cb -0.12 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2wr2 s GLU 230 CO 0.02 -0.38 0.12 -0.06 -0.54 0.00 0.00 175.26 174.43 2wr2 s PHE 231 N 1.32 3.41 0.26 5.30 0.08 -0.15 -0.86 117.98 127.34 2wr2 s PHE 231 Ca 0.01 0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.36 2wr2 s PHE 231 Cb -0.16 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2wr2 s PHE 231 CO -0.05 0.60 0.07 -1.12 -0.10 0.00 0.00 175.22 174.62 2wr2 s SER 232 N -1.78 1.52 0.07 1.36 0.01 0.97 -0.62 113.70 115.24 2wr2 s SER 232 Ca 0.24 -1.35 -0.14 0.00 1.31 0.00 0.00 55.95 56.02 2wr2 s SER 232 Cb -0.12 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2wr2 s SER 232 CO 0.15 -0.67 0.32 -1.66 0.41 0.00 0.00 173.24 171.79 2wr2 s TRP 233 N -3.61 -0.09 0.10 2.43 1.48 -1.26 -1.49 118.94 116.50 2wr2 s TRP 233 Ca 0.36 -0.14 -0.11 0.00 -1.06 0.00 0.00 56.10 55.14 2wr2 s TRP 233 Cb 0.08 0.12 0.01 0.00 -1.16 0.00 0.00 33.47 32.52 2wr2 s TRP 233 CO 0.13 -0.57 0.27 -0.08 -4.06 0.00 0.00 176.95 172.64 2wr2 s THR 234 N -3.12 0.11 -0.37 0.66 -1.32 -0.75 -5.02 115.64 105.83 2wr2 s THR 234 Ca -0.01 -0.96 -0.08 0.00 -1.21 0.00 0.00 61.69 59.42 2wr2 s THR 234 Cb 0.01 -1.29 0.05 0.00 -1.51 0.00 0.00 72.50 69.76 2wr2 s THR 234 CO -0.07 -0.52 0.18 -0.22 -2.21 0.00 0.00 174.62 171.77 2wr2 s LEU 235 N -2.84 4.68 -0.29 9.08 2.96 -1.26 -1.73 118.68 129.28 2wr2 s LEU 235 Ca 0.04 -1.23 -0.24 0.00 -0.22 0.00 0.00 54.13 52.48 2wr2 s LEU 235 Cb 0.04 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 2wr2 s LEU 235 CO -0.11 -0.41 0.82 -0.22 -1.32 0.00 0.00 176.35 175.11 2wr2 s LEU 236 N 1.44 4.07 0.82 -0.68 2.96 0.11 -4.87 118.68 122.53 2wr2 s LEU 236 Ca 0.01 0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 54.61 2wr2 s LEU 236 Cb -0.20 -3.14 0.09 0.00 0.50 0.00 0.00 46.19 43.43 2wr2 s LEU 236 CO 0.03 -0.60 1.13 -1.61 -1.32 0.00 0.00 176.35 173.99 2wr2 s GLU 237 N 2.96 1.76 0.30 1.98 0.41 -1.26 -1.07 118.70 123.78 2wr2 s GLU 237 Ca 0.34 1.41 -0.30 0.00 -0.41 0.00 0.00 54.97 56.01 2wr2 s GLU 237 Cb -0.14 -1.82 -0.12 0.00 -1.78 0.00 0.00 34.13 30.27 2wr2 s GLU 237 CO 0.11 -2.06 1.58 0.25 -0.49 0.00 0.00 175.26 174.66 2wr2 n THR 238 N -3.66 1.10 -0.90 3.63 -2.24 -1.26 -2.46 114.28 108.49 2wr2 n THR 238 Ca 0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wr2 n THR 238 Cb 0.52 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 2wr2 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr2 n TRP 239 N 2.00 0.00 -3.16 4.78 7.02 0.40 -5.00 117.44 123.48 2wr2 n TRP 239 Ca 0.08 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.31 2wr2 n TRP 239 Cb 0.37 -0.68 -0.01 0.00 -2.42 0.00 0.00 31.31 28.57 2wr2 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr2 s ASP 240 N -2.31 6.29 0.06 -0.99 2.15 -1.03 -4.83 116.67 116.01 2wr2 s ASP 240 Ca 0.00 0.59 0.04 0.00 0.43 0.00 0.00 52.55 53.61 2wr2 s ASP 240 Cb 0.00 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 2wr2 s ASP 240 CO 0.00 -0.38 0.01 -0.69 -0.17 0.00 0.00 175.17 173.94 2wr2 s VAL 241 N -2.44 4.11 -0.16 1.11 1.01 -1.26 -1.67 120.40 121.08 2wr2 s VAL 241 Ca 0.42 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2wr2 s VAL 241 Cb -0.10 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2wr2 s VAL 241 CO 0.39 0.19 -0.12 -0.51 0.00 0.00 0.00 175.10 175.05 2wr2 s ILE 242 N -1.26 2.96 -0.29 2.22 2.07 0.08 -4.28 121.20 122.70 2wr2 s ILE 242 Ca 0.25 -0.67 -0.10 0.00 -1.41 0.00 0.00 60.65 58.72 2wr2 s ILE 242 Cb -0.12 -2.27 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 2wr2 s ILE 242 CO 0.17 0.50 0.15 0.20 -1.91 0.00 0.00 174.94 174.04 2wr2 s ASN 243 N 0.84 5.63 -0.18 4.50 0.01 0.85 -1.75 114.94 124.85 2wr2 s ASN 243 Ca -0.04 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 51.72 2wr2 s ASN 243 Cb -0.15 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 2wr2 s ASN 243 CO 0.00 -0.10 0.35 -0.36 -1.51 0.00 0.00 177.10 175.48 2wr2 s PHE 244 N 1.67 3.43 -0.06 2.20 0.08 -0.37 -1.31 117.98 123.62 2wr2 s PHE 244 Ca 0.06 0.62 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 2wr2 s PHE 244 Cb -0.16 -2.44 0.04 0.00 -0.57 0.00 0.00 43.02 39.89 2wr2 s PHE 244 CO 0.07 0.12 0.08 -2.00 -0.10 0.00 0.00 175.22 173.39 2wr2 s GLU 245 N 0.85 -0.05 -0.10 0.44 2.12 0.19 -2.27 118.70 119.89 2wr2 s GLU 245 Ca 0.18 0.34 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 2wr2 s GLU 245 Cb -0.14 -0.65 0.03 0.00 0.26 0.00 0.00 34.13 33.63 2wr2 s GLU 245 CO 0.06 -0.37 0.25 0.45 -0.54 0.00 0.00 175.26 175.11 2wr2 s SER 246 N 2.18 -0.27 0.00 -1.70 0.15 -0.31 -0.39 113.70 113.36 2wr2 s SER 246 Ca 0.04 0.52 0.17 0.00 0.70 0.00 0.00 55.95 57.39 2wr2 s SER 246 Cb -0.13 0.48 0.54 0.00 -1.71 0.00 0.00 66.02 65.21 2wr2 s SER 246 CO -0.04 -0.11 1.42 0.35 1.20 0.00 0.00 173.24 176.06 2wr2 n THR 247 N 3.38 0.40 0.00 6.45 -2.24 -1.00 -0.22 114.28 121.04 2wr2 n THR 247 Ca -0.17 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2wr2 n THR 247 Cb 0.57 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2wr2 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 248 N 1.19 4.12 1.58 3.38 0.00 -1.25 -4.77 105.19 109.44 2wr2 n GLY 248 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2wr2 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr2 n ASN 249 N 0.00 0.00 -4.71 1.61 3.02 -1.26 -4.06 115.26 109.86 2wr2 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr2 n ASN 249 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2wr2 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr2 s LEU 250 N 0.00 4.36 -0.43 3.41 2.96 -1.26 -1.31 118.68 126.42 2wr2 s LEU 250 Ca 0.00 2.39 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 2wr2 s LEU 250 Cb 0.00 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.18 2wr2 s LEU 250 CO 0.00 -0.74 0.29 -0.63 -1.32 0.00 0.00 176.35 173.95 2wr2 s ILE 251 N 1.51 4.55 0.12 6.68 -1.09 -0.30 -3.40 121.20 129.28 2wr2 s ILE 251 Ca 0.67 -1.22 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 2wr2 s ILE 251 Cb -0.38 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 2wr2 s ILE 251 CO 0.30 -0.48 0.43 0.00 -1.23 0.00 0.00 174.94 173.96 2wr2 s ALA 252 N 1.50 3.71 0.39 9.38 0.00 -0.17 -0.99 121.76 135.57 2wr2 s ALA 252 Ca 0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 2wr2 s ALA 252 Cb -0.23 -2.28 -0.10 0.00 0.00 0.00 0.00 23.12 20.51 2wr2 s ALA 252 CO 0.04 0.57 0.99 -1.25 0.00 0.00 0.00 175.76 176.11 2wr2 s PRO 253 N -2.18 4.31 -0.10 0.00 0.05 -1.26 0.37 135.00 136.19 2wr2 s PRO 253 Ca 0.37 1.33 0.12 0.00 0.05 0.00 0.00 61.00 62.87 2wr2 s PRO 253 Cb -0.13 -2.51 -0.18 0.00 0.05 0.00 0.00 34.50 31.73 2wr2 s PRO 253 CO 0.20 0.02 0.12 -1.91 0.05 0.00 0.00 177.00 175.47 2wr2 n GLU 254 N -0.06 1.47 -4.37 4.56 2.13 0.05 -4.61 120.64 119.81 2wr2 n GLU 254 Ca 0.05 -0.04 -0.24 0.00 0.66 0.00 0.00 57.16 57.59 2wr2 n GLU 254 Cb 0.51 -1.34 -0.09 0.00 0.27 0.00 0.00 31.44 30.80 2wr2 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr2 s TYR 255 N -2.50 2.51 0.30 4.31 2.02 -1.24 -1.13 117.35 121.63 2wr2 s TYR 255 Ca -0.06 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2wr2 s TYR 255 Cb 0.05 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2wr2 s TYR 255 CO 0.55 0.58 0.09 0.20 -1.57 0.00 0.00 175.55 175.40 2wr2 s GLY 256 N -3.65 1.98 -0.22 0.71 0.00 0.80 -4.75 107.32 102.19 2wr2 s GLY 256 Ca 0.33 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.20 2wr2 s GLY 256 CO 0.18 -1.70 -0.09 -1.36 0.00 0.00 0.00 173.10 170.13 2wr2 s PHE 257 N -3.52 2.59 0.23 1.90 0.08 -0.30 -0.71 117.98 118.24 2wr2 s PHE 257 Ca 0.36 -1.79 -0.30 0.00 0.12 0.00 0.00 56.93 55.32 2wr2 s PHE 257 Cb 0.07 -1.69 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 2wr2 s PHE 257 CO 0.15 -0.78 1.44 0.15 -0.10 0.00 0.00 175.22 176.08 2wr2 s LYS 258 N 1.33 4.27 -0.13 0.44 1.02 0.23 0.00 119.74 126.91 2wr2 s LYS 258 Ca -0.04 2.28 -0.05 0.00 0.02 0.00 0.00 55.97 58.18 2wr2 s LYS 258 Cb -0.18 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2wr2 s LYS 258 CO -0.07 -0.43 0.26 -1.50 -0.92 0.00 0.00 175.35 172.69 2wr2 s ILE 259 N 0.23 -0.34 -0.18 2.17 2.07 -0.21 -1.20 121.20 123.73 2wr2 s ILE 259 Ca 0.61 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 2wr2 s ILE 259 Cb -0.41 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 2wr2 s ILE 259 CO 0.40 0.11 -0.05 -0.44 -1.91 0.00 0.00 174.94 173.05 2wr2 s SER 260 N 2.19 4.50 -0.13 4.50 0.01 0.13 -4.01 113.70 120.89 2wr2 s SER 260 Ca -0.01 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 2wr2 s SER 260 Cb -0.12 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2wr2 s SER 260 CO -0.09 0.08 -0.05 -0.75 0.41 0.00 0.00 173.24 172.84 2wr2 s LYS 261 N 0.86 3.46 -0.17 12.44 2.20 -1.26 0.66 119.74 137.94 2wr2 s LYS 261 Ca -0.01 -0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 2wr2 s LYS 261 Cb -0.15 -2.82 -0.06 0.00 -1.51 0.00 0.00 37.83 33.30 2wr2 s LYS 261 CO 0.01 0.32 -0.24 2.89 -0.36 0.00 0.00 175.35 177.97 2wr2 n ARG 262 N 3.27 0.50 -0.00 4.03 1.85 -1.26 -4.95 116.66 120.09 2wr2 n ARG 262 Ca -0.18 0.37 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2wr2 n ARG 262 Cb 0.53 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 2wr2 n ARG 262 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wr2 n GLY 263 N 1.51 4.84 3.48 2.89 0.00 -1.26 -5.16 105.19 111.50 2wr2 n GLY 263 Ca -0.14 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2wr2 n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr2 s SER 264 N 1.15 3.90 0.00 1.61 0.15 -1.26 -4.56 113.70 114.69 2wr2 s SER 264 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2wr2 s SER 264 Cb 0.00 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2wr2 s SER 264 CO 0.00 0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 2wr2 n SER 265 N 1.14 0.00 -3.39 5.45 2.88 -1.26 -4.90 113.62 113.54 2wr2 n SER 265 Ca -0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.35 2wr2 n SER 265 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2wr2 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr2 s GLY 266 N 0.00 0.08 -0.09 0.46 0.00 -1.26 -4.75 107.32 101.76 2wr2 s GLY 266 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 2wr2 s GLY 266 CO 0.00 1.88 0.13 -0.42 0.00 0.00 0.00 173.10 174.69 2wr2 s ILE 267 N -2.34 5.31 -0.14 0.90 1.01 -1.26 -2.29 121.20 122.40 2wr2 s ILE 267 Ca 0.20 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2wr2 s ILE 267 Cb -0.03 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 2wr2 s ILE 267 CO 0.05 0.56 -0.17 -0.32 0.00 0.00 0.00 174.94 175.06 2wr2 s MET 268 N -1.20 3.22 -0.35 2.79 -2.45 0.12 -4.78 119.30 116.65 2wr2 s MET 268 Ca 0.17 -0.76 -0.20 0.00 -1.25 0.00 0.00 55.69 53.65 2wr2 s MET 268 Cb -0.12 -2.55 0.00 0.00 1.25 0.00 0.00 34.83 33.41 2wr2 s MET 268 CO 0.07 0.10 0.61 0.15 1.05 0.00 0.00 175.02 177.00 2wr2 s LYS 269 N 0.60 3.68 0.15 4.11 3.01 -1.25 -0.66 119.74 129.37 2wr2 s LYS 269 Ca -0.10 0.03 -0.23 0.00 -1.01 0.00 0.00 55.97 54.66 2wr2 s LYS 269 Cb -0.16 -3.81 0.07 0.00 -1.01 0.00 0.00 37.83 32.93 2wr2 s LYS 269 CO 0.03 -0.71 0.62 -0.08 0.51 0.00 0.00 175.35 175.72 2wr2 s THR 270 N 2.65 0.00 -0.80 2.17 -1.32 -0.45 -4.85 115.64 113.05 2wr2 s THR 270 Ca 0.23 -0.01 0.24 0.00 -1.21 0.00 0.00 61.69 60.94 2wr2 s THR 270 Cb -0.15 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 2wr2 s THR 270 CO 0.14 0.00 1.22 -0.62 -2.21 0.00 0.00 174.62 173.15 2wr2 n GLU 271 N -0.37 0.16 -1.17 7.08 -0.58 -1.26 -4.12 120.64 120.37 2wr2 n GLU 271 Ca -0.16 0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.29 2wr2 n GLU 271 Cb 0.65 -1.57 0.11 0.00 -0.57 0.00 0.00 31.44 30.06 2wr2 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr2 s LYS 272 N -3.10 1.87 0.15 3.49 1.02 -1.26 -5.07 119.74 116.84 2wr2 s LYS 272 Ca 0.07 1.15 0.10 0.00 0.02 0.00 0.00 55.97 57.31 2wr2 s LYS 272 Cb 0.15 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 2wr2 s LYS 272 CO 0.75 -1.91 -0.22 0.95 -0.92 0.00 0.00 175.35 174.00 2wr2 s THR 273 N -2.87 2.02 0.06 2.17 -4.23 -1.26 -5.01 115.64 106.51 2wr2 s THR 273 Ca 0.62 -1.82 -0.33 0.00 -1.18 0.00 0.00 61.69 58.98 2wr2 s THR 273 Cb -0.18 -1.87 -0.12 0.00 1.34 0.00 0.00 72.50 71.67 2wr2 s THR 273 CO 0.57 -0.12 1.77 -0.11 -0.54 0.00 0.00 174.62 176.19 2wr2 n LEU 274 N 0.61 3.51 -0.40 4.79 7.94 -1.26 -4.30 117.00 127.88 2wr2 n LEU 274 Ca -0.16 1.01 0.06 0.00 -1.11 0.00 0.00 56.01 55.82 2wr2 n LEU 274 Cb 0.55 -1.44 0.03 0.00 0.53 0.00 0.00 43.42 43.09 2wr2 n LEU 274 CO 0.26 -0.06 0.35 -0.62 -1.11 0.00 0.00 177.39 176.21 2wr2 n GLU 275 N 5.31 1.34 -1.26 1.96 1.02 -0.75 -5.01 120.64 123.24 2wr2 n GLU 275 Ca 0.19 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 2wr2 n GLU 275 Cb 0.32 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2wr2 n GLU 275 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wr2 n ASN 276 N 0.28 -1.68 -4.12 1.62 5.15 -1.26 -5.08 115.26 110.16 2wr2 n ASN 276 Ca 0.06 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.94 2wr2 n ASN 276 Cb 0.29 -0.55 -0.09 0.00 -0.53 0.00 0.00 39.78 38.90 2wr2 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr2 s GLU 278 N -4.06 3.03 0.15 0.00 2.56 -1.26 -1.18 118.70 117.95 2wr2 s GLU 278 Ca 0.26 -0.60 -0.14 0.00 0.00 0.00 0.00 54.97 54.49 2wr2 s GLU 278 Cb 0.06 -2.82 0.02 0.00 2.00 0.00 0.00 34.13 33.39 2wr2 s GLU 278 CO 0.04 0.59 0.39 -0.08 -0.56 0.00 0.00 175.26 175.63 2wr2 s THR 279 N -1.38 0.06 -0.66 -1.70 -1.32 -0.46 -4.86 115.64 105.32 2wr2 s THR 279 Ca 0.30 -0.89 0.10 0.00 -1.21 0.00 0.00 61.69 59.98 2wr2 s THR 279 Cb -0.12 -1.46 -0.06 0.00 -1.51 0.00 0.00 72.50 69.35 2wr2 s THR 279 CO 0.22 -0.29 0.51 0.29 -2.21 0.00 0.00 174.62 173.13 2wr2 n LYS 280 N -0.24 3.06 -3.55 7.08 5.02 -1.26 -2.29 118.16 125.98 2wr2 n LYS 280 Ca -0.12 -0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 55.76 2wr2 n LYS 280 Cb 0.63 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 2wr2 n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wr2 s GLN 282 N 2.47 2.88 0.27 0.00 2.00 0.41 -1.15 119.66 126.53 2wr2 s GLN 282 Ca 0.05 -0.56 0.07 0.00 -2.00 0.00 0.00 55.36 52.92 2wr2 s GLN 282 Cb -0.14 -2.62 -0.06 0.00 0.80 0.00 0.00 33.01 31.00 2wr2 s GLN 282 CO -0.12 0.59 -0.09 0.95 -0.50 0.00 0.00 175.29 176.12 2wr2 s THR 283 N -0.60 1.77 -1.11 -0.34 -4.23 -0.50 -0.83 115.64 109.79 2wr2 s THR 283 Ca 0.09 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.49 2wr2 s THR 283 Cb -0.12 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.42 2wr2 s THR 283 CO 0.02 -0.36 1.16 -2.65 -0.54 0.00 0.00 174.62 172.24 2wr2 n PRO 284 N -0.56 0.02 -0.03 3.99 -0.02 -1.26 -1.32 135.00 135.82 2wr2 n PRO 284 Ca -0.06 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2wr2 n PRO 284 Cb 0.62 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.45 2wr2 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr2 n LEU 285 N -1.44 0.00 0.00 2.45 4.77 -1.26 -4.84 117.00 116.68 2wr2 n LEU 285 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wr2 n LEU 285 Cb 0.07 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wr2 n LEU 285 CO 0.05 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2wr2 n GLY 286 N 1.49 0.65 3.93 -0.72 0.00 -0.43 -4.02 105.19 106.09 2wr2 n GLY 286 Ca -0.11 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 2wr2 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s ALA 287 N -1.83 3.50 -0.17 4.61 0.00 -1.10 -1.41 121.76 125.36 2wr2 s ALA 287 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2wr2 s ALA 287 Cb 0.00 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.74 2wr2 s ALA 287 CO 0.00 -0.51 -0.14 0.42 0.00 0.00 0.00 175.76 175.53 2wr2 s ILE 288 N -2.75 1.73 -0.50 0.00 1.01 -0.30 -1.92 121.20 118.47 2wr2 s ILE 288 Ca 0.50 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2wr2 s ILE 288 Cb -0.10 -1.66 0.13 0.00 0.01 0.00 0.00 42.46 40.84 2wr2 s ILE 288 CO 0.42 0.39 0.29 0.21 0.00 0.00 0.00 174.94 176.25 2wr2 s ASN 289 N 1.40 5.04 0.07 3.58 2.47 -1.26 -4.31 114.94 121.93 2wr2 s ASN 289 Ca 0.03 -2.53 -0.20 0.00 0.42 0.00 0.00 52.86 50.58 2wr2 s ASN 289 Cb -0.14 -1.79 0.04 0.00 -1.45 0.00 0.00 41.25 37.92 2wr2 s ASN 289 CO -0.10 -0.40 0.46 0.28 -3.72 0.00 0.00 177.10 173.61 2wr2 s THR 290 N 0.40 0.05 -1.05 -5.21 -1.32 -1.26 -5.04 115.64 102.21 2wr2 s THR 290 Ca 0.13 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.34 2wr2 s THR 290 Cb -0.22 -1.02 0.02 0.00 -1.51 0.00 0.00 72.50 69.78 2wr2 s THR 290 CO -0.04 -0.21 0.69 1.07 -2.21 0.00 0.00 174.62 173.93 2wr2 n THR 291 N 0.22 0.00 -2.13 5.08 5.66 -1.26 -5.02 114.28 116.83 2wr2 n THR 291 Ca -0.18 -0.42 -0.34 0.00 -3.05 0.00 0.00 64.05 60.06 2wr2 n THR 291 Cb 0.61 1.15 0.01 0.00 -1.55 0.00 0.00 70.33 70.55 2wr2 n THR 291 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2wr2 s LEU 292 N -1.43 3.64 0.16 1.09 1.43 -1.26 -4.95 118.68 117.35 2wr2 s LEU 292 Ca 0.10 2.06 0.27 0.00 -1.03 0.00 0.00 54.13 55.53 2wr2 s LEU 292 Cb 0.08 -4.57 0.85 0.00 0.03 0.00 0.00 46.19 42.59 2wr2 s LEU 292 CO 0.22 -1.28 1.77 -0.81 0.23 0.00 0.00 176.35 176.48 2wr2 n PRO 293 N -1.64 0.21 -4.23 1.29 -0.04 -1.26 -4.68 135.00 124.65 2wr2 n PRO 293 Ca 0.11 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2wr2 n PRO 293 Cb 0.52 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2wr2 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wr2 s PHE 294 N -3.08 1.22 0.15 0.54 0.08 -1.23 -1.02 117.98 114.64 2wr2 s PHE 294 Ca 0.11 -0.71 -0.14 0.00 0.12 0.00 0.00 56.93 56.32 2wr2 s PHE 294 Cb 0.14 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2wr2 s PHE 294 CO 0.60 0.07 0.37 -3.38 -0.10 0.00 0.00 175.22 172.77 2wr2 s HIS 295 N -2.94 0.02 -0.07 0.36 -3.43 -0.11 -1.23 115.29 107.88 2wr2 s HIS 295 Ca 0.13 -0.37 0.16 0.00 -0.80 0.00 0.00 55.06 54.17 2wr2 s HIS 295 Cb 0.00 0.17 0.32 0.00 -1.43 0.00 0.00 32.58 31.64 2wr2 s HIS 295 CO 0.01 -0.74 1.14 0.27 -2.00 0.00 0.00 174.74 173.42 2wr2 n ASN 296 N -0.23 1.15 -0.00 7.38 6.94 -1.07 -1.32 115.26 128.12 2wr2 n ASN 296 Ca -0.12 -2.63 -0.13 0.00 -0.02 0.00 0.00 54.58 51.68 2wr2 n ASN 296 Cb 0.63 -0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.60 2wr2 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr2 h ILE 297 N 4.54 1.32 -1.35 1.53 5.03 -1.91 -3.48 117.51 123.19 2wr2 h ILE 297 Ca -0.09 -1.11 0.12 0.00 -0.12 0.00 0.00 64.86 63.66 2wr2 h ILE 297 Cb 1.45 2.07 -0.29 0.00 -3.03 0.00 0.00 36.82 37.01 2wr2 h ILE 297 CO 0.04 0.28 0.66 -2.28 -0.68 0.00 0.00 178.15 176.17 2wr2 s HIS 298 N -4.24 -0.28 0.22 1.37 5.04 -1.26 -5.04 115.29 111.11 2wr2 s HIS 298 Ca -0.16 0.67 -0.02 0.00 -1.54 0.00 0.00 55.06 54.02 2wr2 s HIS 298 Cb 0.02 0.42 0.21 0.00 0.04 0.00 0.00 32.58 33.26 2wr2 s HIS 298 CO 0.66 -0.13 1.59 -1.35 -2.34 0.00 0.00 174.74 173.16 2wr2 h PRO 299 N 3.69 0.57 -4.97 2.88 0.11 -1.98 -3.39 132.00 128.92 2wr2 h PRO 299 Ca -0.28 -0.29 -0.71 0.00 0.11 0.00 0.00 66.00 64.83 2wr2 h PRO 299 Cb 1.19 0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 2wr2 h PRO 299 CO 0.14 0.88 1.22 -0.51 -0.21 0.00 0.00 178.00 179.52 2wr2 s LEU 300 N -8.53 4.92 0.23 2.35 1.43 -1.26 -4.83 118.68 112.99 2wr2 s LEU 300 Ca -0.08 -2.57 0.08 0.00 -1.03 0.00 0.00 54.13 50.54 2wr2 s LEU 300 Cb 0.12 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2wr2 s LEU 300 CO 0.83 -0.91 0.09 0.42 0.23 0.00 0.00 176.35 177.01 2wr2 s THR 301 N 2.26 4.02 -0.07 5.49 -4.23 -1.26 -4.19 115.64 117.66 2wr2 s THR 301 Ca 0.40 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2wr2 s THR 301 Cb -0.03 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.71 2wr2 s THR 301 CO -0.03 -0.29 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.07 2wr2 s ILE 302 N -2.07 0.80 -2.60 2.99 1.01 -0.01 -1.85 121.20 119.47 2wr2 s ILE 302 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2wr2 s ILE 302 Cb -0.08 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2wr2 s ILE 302 CO 0.22 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2wr2 n GLY 303 N 4.39 0.62 3.27 6.18 0.00 -0.23 -0.45 105.19 118.98 2wr2 n GLY 303 Ca -0.18 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 2wr2 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr2 s GLU 304 N -1.04 3.02 0.18 1.61 2.02 0.28 -0.74 118.70 124.03 2wr2 s GLU 304 Ca 0.00 -2.03 0.10 0.00 0.02 0.00 0.00 54.97 53.07 2wr2 s GLU 304 Cb 0.00 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 2wr2 s GLU 304 CO 0.00 -1.27 -0.19 0.00 0.02 0.00 0.00 175.26 173.82 2wr2 s PRO 306 N -2.66 1.19 0.24 0.00 0.02 -1.26 -4.83 135.00 127.70 2wr2 s PRO 306 Ca 0.22 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 2wr2 s PRO 306 Cb -0.08 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 2wr2 s PRO 306 CO 0.11 -2.50 1.38 0.15 -0.33 0.00 0.00 177.00 175.81 2wr2 s LYS 307 N -4.68 4.32 -0.14 5.54 -0.14 -0.19 -4.67 119.74 119.79 2wr2 s LYS 307 Ca 0.66 2.20 -0.24 0.00 -1.36 0.00 0.00 55.97 57.23 2wr2 s LYS 307 Cb -0.22 -3.13 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2wr2 s LYS 307 CO 0.58 -0.33 0.78 -0.47 -0.76 0.00 0.00 175.35 175.15 2wr2 s TYR 308 N -0.11 3.46 0.20 3.18 5.04 -1.26 -0.93 117.35 126.92 2wr2 s TYR 308 Ca 0.57 1.22 0.08 0.00 -2.44 0.00 0.00 57.07 56.51 2wr2 s TYR 308 Cb -0.40 -2.94 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 2wr2 s TYR 308 CO 0.43 -0.15 -0.16 0.14 -1.34 0.00 0.00 175.55 174.47 2wr2 s VAL 309 N 1.76 1.84 -2.00 3.14 -7.23 -0.43 -4.78 120.40 112.70 2wr2 s VAL 309 Ca 0.37 -2.11 0.17 0.00 -1.81 0.00 0.00 61.98 58.60 2wr2 s VAL 309 Cb -0.17 -1.99 0.48 0.00 0.56 0.00 0.00 36.38 35.26 2wr2 s VAL 309 CO 0.14 -0.47 1.53 0.29 -0.31 0.00 0.00 175.10 176.28 2wr2 n LYS 310 N -0.13 0.83 -2.84 4.82 5.02 -1.26 -4.50 118.16 120.09 2wr2 n LYS 310 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 2wr2 n LYS 310 Cb 0.59 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2wr2 n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wr2 s SER 311 N -1.70 6.80 0.13 4.39 0.15 -1.26 -4.98 113.70 117.23 2wr2 s SER 311 Ca 0.25 1.51 0.22 0.00 0.70 0.00 0.00 55.95 58.63 2wr2 s SER 311 Cb 0.12 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.87 2wr2 s SER 311 CO 0.19 -0.36 0.89 0.47 1.20 0.00 0.00 173.24 175.63 2wr2 n ASP 312 N -0.79 0.60 -3.57 5.45 8.00 -1.26 -4.79 116.55 120.19 2wr2 n ASP 312 Ca 0.06 0.20 -0.02 0.00 0.71 0.00 0.00 54.79 55.74 2wr2 n ASP 312 Cb 0.54 0.89 -0.06 0.00 -0.02 0.00 0.00 41.12 42.48 2wr2 n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wr2 s ARG 313 N -3.40 0.42 -0.40 -1.24 3.52 -1.26 -5.10 118.95 111.50 2wr2 s ARG 313 Ca -0.02 0.85 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 2wr2 s ARG 313 Cb 0.11 0.29 0.13 0.00 -1.56 0.00 0.00 34.95 33.93 2wr2 s ARG 313 CO 0.82 -0.11 0.22 -0.51 -0.81 0.00 0.00 175.30 174.91 2wr2 s LEU 314 N 1.91 2.01 -0.28 -0.88 1.43 -1.26 -5.03 118.68 116.58 2wr2 s LEU 314 Ca -0.07 -2.39 -0.06 0.00 -1.03 0.00 0.00 54.13 50.58 2wr2 s LEU 314 Cb -0.06 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2wr2 s LEU 314 CO -0.17 -0.29 0.06 -0.69 0.23 0.00 0.00 176.35 175.48 2wr2 s VAL 315 N 0.72 3.85 -0.05 -1.59 1.01 -1.26 -1.29 120.40 121.78 2wr2 s VAL 315 Ca 0.17 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2wr2 s VAL 315 Cb -0.23 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2wr2 s VAL 315 CO -0.01 0.15 0.64 -0.22 0.00 0.00 0.00 175.10 175.65 2wr2 s LEU 316 N 1.49 4.34 0.12 3.92 2.96 -0.18 -4.69 118.68 126.64 2wr2 s LEU 316 Ca 0.03 1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 54.77 2wr2 s LEU 316 Cb -0.17 -2.99 -0.06 0.00 0.50 0.00 0.00 46.19 43.48 2wr2 s LEU 316 CO 0.01 -0.04 0.97 0.00 -1.32 0.00 0.00 176.35 175.98 2wr2 s ALA 317 N 0.49 3.26 -0.06 5.97 0.00 -1.26 0.24 121.76 130.40 2wr2 s ALA 317 Ca 0.34 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2wr2 s ALA 317 Cb -0.18 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2wr2 s ALA 317 CO 0.17 -0.04 -0.06 0.25 0.00 0.00 0.00 175.76 176.08 2wr2 n THR 318 N 2.73 0.31 -1.00 0.00 -2.24 -0.69 -4.87 114.28 108.52 2wr2 n THR 318 Ca 0.02 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2wr2 n THR 318 Cb 0.49 -1.16 0.08 0.00 -2.10 0.00 0.00 70.33 67.64 2wr2 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr2 n GLY 319 N 2.92 -1.94 4.00 3.38 0.00 -0.08 -4.93 105.19 108.54 2wr2 n GLY 319 Ca -0.11 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 2wr2 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr2 s LEU 320 N 0.00 3.58 0.03 0.99 2.34 -1.26 -4.65 118.68 119.71 2wr2 s LEU 320 Ca 0.26 -0.31 -0.35 0.00 0.06 0.00 0.00 54.13 53.79 2wr2 s LEU 320 Cb -0.02 -2.72 -0.14 0.00 -0.56 0.00 0.00 46.19 42.75 2wr2 s LEU 320 CO 0.19 -0.84 1.62 -1.14 -1.06 0.00 0.00 176.35 175.13 2wr2 n ARG 321 N -1.96 1.83 -2.69 1.48 0.63 -1.26 -0.80 116.66 113.89 2wr2 n ARG 321 Ca 0.08 0.67 -0.43 0.00 -0.92 0.00 0.00 57.85 57.24 2wr2 n ARG 321 Cb 0.59 -2.42 -0.03 0.00 0.45 0.00 0.00 32.46 31.06 2wr2 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr2 s ASN 322 N 1.92 6.69 -0.50 6.15 2.47 0.58 -4.77 114.94 127.47 2wr2 s ASN 322 Ca 0.86 0.58 0.08 0.00 0.42 0.00 0.00 52.86 54.79 2wr2 s ASN 322 Cb -0.78 -2.51 0.31 0.00 -1.45 0.00 0.00 41.25 36.81 2wr2 s ASN 322 CO 0.46 -1.05 0.78 0.52 -3.72 0.00 0.00 177.10 174.10 2wr2 n VAL 323 N 6.36 1.41 0.00 -5.21 0.31 -1.26 -4.85 118.33 115.08 2wr2 n VAL 323 Ca 0.10 -4.98 0.00 0.00 -0.01 0.00 0.00 64.34 59.45 2wr2 n VAL 323 Cb 0.48 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2wr2 n VAL 323 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wr2 n PRO 324 N 0.38 0.00 0.00 5.55 -0.02 -1.26 0.16 135.00 139.80 2wr2 n PRO 324 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2wr2 n PRO 324 Cb 0.49 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2wr2 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr2 n GLY 330 N 0.77 2.88 0.22 -1.23 0.00 -1.26 -4.81 105.19 101.75 2wr2 n GLY 330 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.33 2wr2 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr2 h LEU 331 N 0.00 0.00 -0.84 0.99 3.38 -1.93 -3.19 115.31 113.72 2wr2 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr2 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wr2 h LEU 331 CO 0.00 0.26 -0.46 0.49 0.09 0.00 0.00 178.44 178.82 2wr2 n PHE 332 N -3.96 0.00 -1.00 1.13 3.72 -1.26 -5.00 117.46 111.09 2wr2 n PHE 332 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wr2 n PHE 332 Cb 0.33 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2wr2 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr2 n GLY 333 N 1.31 0.46 0.05 1.37 0.00 -1.21 -4.94 105.19 102.24 2wr2 n GLY 333 Ca 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 2wr2 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 n ALA 334 N 1.00 0.54 -1.77 4.61 0.00 -1.26 -1.68 120.51 121.94 2wr2 n ALA 334 Ca -0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2wr2 n ALA 334 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 2wr2 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr2 s ILE 335 N -2.16 2.75 -1.52 0.00 1.01 -1.26 0.34 121.20 120.36 2wr2 s ILE 335 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2wr2 s ILE 335 Cb 0.02 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2wr2 s ILE 335 CO 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.20 2wr2 n ALA 336 N 5.93 -0.25 -2.39 9.38 0.00 -1.20 -4.27 120.51 127.71 2wr2 n ALA 336 Ca 0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2wr2 n ALA 336 Cb 0.39 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2wr2 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr2 n GLY 337 N -0.31 0.97 0.16 0.00 0.00 0.15 -4.90 105.19 101.26 2wr2 n GLY 337 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2wr2 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr2 h PHE 338 N 0.00 0.00 -3.48 1.61 -5.15 -1.35 -3.31 116.94 105.26 2wr2 h PHE 338 Ca 0.00 0.00 -0.76 0.00 -0.20 0.00 0.00 57.97 57.01 2wr2 h PHE 338 Cb 0.00 0.00 -0.27 0.00 0.22 0.00 0.00 35.95 35.90 2wr2 h PHE 338 CO 0.00 0.00 -0.15 0.42 -2.00 0.00 0.00 178.31 176.58 2wr2 s ILE 339 N -3.30 4.97 0.49 0.88 1.01 -1.12 -4.04 121.20 120.08 2wr2 s ILE 339 Ca 0.06 -2.13 0.17 0.00 0.00 0.00 0.00 60.65 58.75 2wr2 s ILE 339 Cb 0.10 -4.15 0.32 0.00 0.01 0.00 0.00 42.46 38.73 2wr2 s ILE 339 CO 0.51 -0.91 2.06 -0.33 0.00 0.00 0.00 174.94 176.26 2wr2 h GLU 340 N 8.12 0.16 -3.58 2.79 5.08 -1.82 -3.16 114.58 122.17 2wr2 h GLU 340 Ca -0.09 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2wr2 h GLU 340 Cb 1.05 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 2wr2 h GLU 340 CO 0.85 0.11 -0.09 0.20 -1.00 0.00 0.00 179.01 179.07 2wr2 s GLY 341 N -3.94 0.38 0.86 -3.84 0.00 -1.26 -4.40 107.32 95.12 2wr2 s GLY 341 Ca -0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 2wr2 s GLY 341 CO 0.71 -0.55 1.19 -0.32 0.00 0.00 0.00 173.10 174.13 2wr2 s GLY 342 N -2.98 1.75 -0.32 0.20 0.00 0.42 -4.68 107.32 101.70 2wr2 s GLY 342 Ca 0.19 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.70 2wr2 s GLY 342 CO 0.06 -0.59 0.02 -0.98 0.00 0.00 0.00 173.10 171.61 2wr2 s TRP 343 N -3.60 3.58 0.41 1.90 0.51 -0.34 -4.80 118.94 116.60 2wr2 s TRP 343 Ca 0.69 -2.83 0.18 0.00 -2.12 0.00 0.00 56.10 52.02 2wr2 s TRP 343 Cb -0.06 -2.69 1.08 0.00 -0.81 0.00 0.00 33.47 30.99 2wr2 s TRP 343 CO 0.49 -0.93 1.82 1.96 -0.51 0.00 0.00 176.95 179.78 2wr2 h GLN 344 N 7.66 0.40 0.00 4.98 1.08 -1.88 -2.89 115.11 124.46 2wr2 h GLN 344 Ca -0.07 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 2wr2 h GLN 344 Cb 1.02 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2wr2 h GLN 344 CO 0.51 0.27 -0.36 0.78 -0.95 0.00 0.00 178.83 179.07 2wr2 h GLY 345 N 0.42 0.00 -7.12 3.46 0.00 -1.93 -3.42 103.07 94.48 2wr2 h GLY 345 Ca 0.52 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.24 2wr2 h GLY 345 CO -0.22 0.00 0.53 -0.29 0.00 0.00 0.00 176.54 176.55 2wr2 s MET 346 N -4.04 3.30 -0.03 4.80 -2.45 -1.10 -4.88 119.30 114.90 2wr2 s MET 346 Ca -0.02 -0.35 0.21 0.00 -1.25 0.00 0.00 55.69 54.28 2wr2 s MET 346 Cb 0.13 -4.07 -0.31 0.00 1.25 0.00 0.00 34.83 31.83 2wr2 s MET 346 CO 0.70 -1.49 0.51 1.33 1.05 0.00 0.00 175.02 177.13 2wr2 n VAL 347 N 6.13 0.00 1.19 10.11 0.24 -1.26 -4.48 118.33 130.26 2wr2 n VAL 347 Ca 0.01 -0.43 0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2wr2 n VAL 347 Cb 0.47 0.14 0.38 0.00 -1.47 0.00 0.00 33.84 33.35 2wr2 n VAL 347 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wr2 n ASP 348 N -2.14 1.80 -3.64 -1.34 8.00 -1.26 -4.96 116.55 113.01 2wr2 n ASP 348 Ca -0.03 -1.71 -0.00 0.00 0.71 0.00 0.00 54.79 53.76 2wr2 n ASP 348 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2wr2 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wr2 s GLY 349 N -1.62 -0.24 0.04 0.44 0.00 -1.26 -4.89 107.32 99.79 2wr2 s GLY 349 Ca 0.33 0.29 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 2wr2 s GLY 349 CO 0.28 1.47 1.03 1.49 0.00 0.00 0.00 173.10 177.36 2wr2 h TRP 350 N 2.00 0.66 -3.48 1.90 6.55 -1.91 -3.40 115.95 118.26 2wr2 h TRP 350 Ca -0.27 -0.48 -0.50 0.00 0.95 0.00 0.00 58.89 58.58 2wr2 h TRP 350 Cb 1.21 -0.03 -0.19 0.00 -0.86 0.00 0.00 29.16 29.29 2wr2 h TRP 350 CO 0.70 1.41 -0.79 0.71 -1.05 0.00 0.00 178.44 179.42 2wr2 s TYR 351 N -2.63 1.72 -1.08 0.49 2.02 -1.26 -0.00 117.35 116.60 2wr2 s TYR 351 Ca -0.07 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 2wr2 s TYR 351 Cb 0.06 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2wr2 s TYR 351 CO 0.90 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 175.55 2wr2 n GLY 352 N 0.51 -0.86 3.17 0.71 0.00 -0.77 -0.72 105.19 107.22 2wr2 n GLY 352 Ca -0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2wr2 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 353 N -3.00 1.24 -0.12 1.61 2.02 -0.29 -1.17 117.35 117.64 2wr2 s TYR 353 Ca 0.00 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2wr2 s TYR 353 Cb 0.00 -0.71 0.00 0.00 -0.40 0.00 0.00 41.96 40.86 2wr2 s TYR 353 CO 0.00 0.06 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.24 2wr2 s HIS 354 N -1.17 2.63 0.24 2.71 5.65 0.17 -0.97 115.29 124.54 2wr2 s HIS 354 Ca -0.01 -1.16 0.10 0.00 0.25 0.00 0.00 55.06 54.24 2wr2 s HIS 354 Cb -0.10 -1.77 -0.04 0.00 -1.18 0.00 0.00 32.58 29.49 2wr2 s HIS 354 CO 0.02 -0.50 -0.10 -3.38 -0.65 0.00 0.00 174.74 170.13 2wr2 s HIS 355 N 0.57 2.55 -0.06 3.88 -3.43 0.13 0.60 115.29 119.52 2wr2 s HIS 355 Ca -0.13 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 53.85 2wr2 s HIS 355 Cb -0.17 -1.17 0.04 0.00 -1.43 0.00 0.00 32.58 29.85 2wr2 s HIS 355 CO 0.04 0.60 0.09 0.45 -2.00 0.00 0.00 174.74 173.92 2wr2 s SER 356 N -3.30 1.14 0.24 7.38 0.15 0.26 -4.28 113.70 115.28 2wr2 s SER 356 Ca 0.28 0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.03 2wr2 s SER 356 Cb -0.07 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2wr2 s SER 356 CO 0.16 -0.26 0.04 0.59 1.20 0.00 0.00 173.24 174.98 2wr2 n ASN 357 N 5.31 1.85 0.21 5.45 3.02 -0.25 -1.85 115.26 129.00 2wr2 n ASN 357 Ca -0.04 -2.17 0.10 0.00 -0.03 0.00 0.00 54.58 52.43 2wr2 n ASN 357 Cb 0.50 0.39 0.28 0.00 -0.61 0.00 0.00 39.78 40.33 2wr2 n ASN 357 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2wr2 h ASP 358 N 0.77 0.00 1.47 6.41 3.32 -1.99 -3.27 116.42 123.12 2wr2 h ASP 358 Ca -0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2wr2 h ASP 358 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 2wr2 h ASP 358 CO 0.32 0.20 -0.53 1.56 -1.72 0.00 0.00 179.24 179.06 2wr2 h GLN 359 N 0.00 0.00 0.00 3.56 4.20 -1.95 -3.50 115.11 117.42 2wr2 h GLN 359 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wr2 h GLN 359 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2wr2 h GLN 359 CO 0.03 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 2wr2 n GLY 360 N 1.16 0.68 3.26 3.46 0.00 -1.24 -5.13 105.19 107.38 2wr2 n GLY 360 Ca 0.01 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 2wr2 n GLY 360 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr2 s SER 361 N -4.00 -0.09 0.00 1.61 0.01 -1.26 -1.09 113.70 108.88 2wr2 s SER 361 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2wr2 s SER 361 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2wr2 s SER 361 CO 0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2wr2 n GLY 362 N 0.12 0.00 3.85 3.44 0.00 -1.26 -5.06 105.19 106.28 2wr2 n GLY 362 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2wr2 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr2 s TYR 363 N -0.22 3.64 -0.27 1.61 2.02 -1.26 0.22 117.35 123.08 2wr2 s TYR 363 Ca 0.00 0.92 -0.06 0.00 -0.37 0.00 0.00 57.07 57.56 2wr2 s TYR 363 Cb 0.00 -2.25 0.14 0.00 -0.40 0.00 0.00 41.96 39.45 2wr2 s TYR 363 CO 0.00 0.54 0.56 0.00 -1.57 0.00 0.00 175.55 175.08 2wr2 s ALA 364 N -1.30 -1.81 0.57 3.71 0.00 -0.14 -4.99 121.76 117.79 2wr2 s ALA 364 Ca 0.31 1.87 -0.20 0.00 0.00 0.00 0.00 51.96 53.94 2wr2 s ALA 364 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 2wr2 s ALA 364 CO 0.17 -1.04 1.20 0.00 0.00 0.00 0.00 175.76 176.08 2wr2 s ALA 365 N 2.79 2.64 -0.61 0.00 0.00 -1.26 -1.13 121.76 124.18 2wr2 s ALA 365 Ca 0.04 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 2wr2 s ALA 365 Cb -0.13 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.68 2wr2 s ALA 365 CO -0.18 -1.05 0.65 0.34 0.00 0.00 0.00 175.76 175.53 2wr2 s ASP 366 N -1.56 6.26 0.51 0.00 2.15 0.10 -4.87 116.67 119.26 2wr2 s ASP 366 Ca 0.75 -1.72 0.28 0.00 0.43 0.00 0.00 52.55 52.29 2wr2 s ASP 366 Cb -0.30 -2.26 1.34 0.00 -0.30 0.00 0.00 42.92 41.40 2wr2 s ASP 366 CO 0.33 -0.97 2.00 0.50 -0.17 0.00 0.00 175.17 176.86 2wr2 h LYS 367 N 8.92 0.00 0.52 4.34 3.64 -1.91 -2.35 116.57 129.74 2wr2 h LYS 367 Ca -0.24 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 2wr2 h LYS 367 Cb 1.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2wr2 h LYS 367 CO 1.04 0.13 -0.25 1.49 -2.27 0.00 0.00 179.45 179.59 2wr2 h GLU 368 N 0.00 -0.68 0.00 1.90 4.81 -1.97 -1.37 114.58 117.27 2wr2 h GLU 368 Ca -0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2wr2 h GLU 368 Cb 0.47 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2wr2 h GLU 368 CO 0.02 -0.45 -0.24 0.66 -0.73 0.00 0.00 179.01 178.26 2wr2 h SER 369 N -1.12 0.00 -0.14 1.04 4.64 -1.96 -1.39 113.55 114.63 2wr2 h SER 369 Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2wr2 h SER 369 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2wr2 h SER 369 CO 0.12 0.24 -0.11 0.74 -0.87 0.00 0.00 176.83 176.95 2wr2 h THR 370 N 0.00 1.34 -0.33 2.95 2.02 -1.49 -2.06 112.91 115.33 2wr2 h THR 370 Ca -0.00 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 2wr2 h THR 370 Cb 0.58 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2wr2 h THR 370 CO 0.03 0.36 0.11 -0.61 0.37 0.00 0.00 175.52 175.78 2wr2 h GLN 371 N -0.05 0.51 -0.21 6.66 5.75 -0.94 0.87 115.11 127.70 2wr2 h GLN 371 Ca 0.03 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2wr2 h GLN 371 Cb 0.61 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 2wr2 h GLN 371 CO 0.03 0.53 -0.09 -0.22 -2.65 0.00 0.00 178.83 176.43 2wr2 h LYS 372 N 0.39 -0.06 -0.28 1.69 1.63 -1.32 0.34 116.57 118.96 2wr2 h LYS 372 Ca 0.11 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 2wr2 h LYS 372 Cb 0.23 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 2wr2 h LYS 372 CO -0.01 -0.04 -0.04 0.00 -3.45 0.00 0.00 179.45 175.91 2wr2 h ALA 373 N 1.12 0.21 -0.68 5.00 0.00 -1.08 -0.80 119.26 123.03 2wr2 h ALA 373 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wr2 h ALA 373 Cb 0.23 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wr2 h ALA 373 CO -0.26 -0.44 0.34 0.27 0.00 0.00 0.00 179.25 179.16 2wr2 h PHE 374 N 0.04 0.96 -0.64 0.00 -5.15 -0.32 0.09 116.94 111.92 2wr2 h PHE 374 Ca 0.13 -0.04 -0.01 0.00 -0.20 0.00 0.00 57.97 57.86 2wr2 h PHE 374 Cb 0.19 -0.30 -0.03 0.00 0.22 0.00 0.00 35.95 36.03 2wr2 h PHE 374 CO -0.24 0.71 0.38 -0.44 -2.00 0.00 0.00 178.31 176.71 2wr2 h ASP 375 N 0.94 0.78 0.36 -0.68 3.32 -0.73 0.30 116.42 120.71 2wr2 h ASP 375 Ca 0.24 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2wr2 h ASP 375 Cb 0.09 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2wr2 h ASP 375 CO -0.03 0.62 -0.34 1.23 -1.72 0.00 0.00 179.24 179.00 2wr2 h GLY 376 N 0.87 -0.81 1.70 2.75 0.00 -0.52 -1.08 103.07 105.99 2wr2 h GLY 376 Ca 0.23 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 2wr2 h GLY 376 CO -0.04 -0.29 -0.04 -2.22 0.00 0.00 0.00 176.54 173.94 2wr2 h ILE 377 N -0.72 1.18 -0.74 2.60 2.04 -0.85 -1.42 117.51 119.58 2wr2 h ILE 377 Ca -0.03 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2wr2 h ILE 377 Cb 0.65 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2wr2 h ILE 377 CO -0.05 0.24 0.40 0.74 0.00 0.00 0.00 178.15 179.48 2wr2 h THR 378 N 0.37 1.23 -0.57 -0.27 2.02 -0.70 -1.52 112.91 113.47 2wr2 h THR 378 Ca 0.08 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 2wr2 h THR 378 Cb 0.31 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2wr2 h THR 378 CO 0.01 0.26 0.06 0.78 0.37 0.00 0.00 175.52 177.00 2wr2 h ASN 379 N 1.03 0.89 0.02 4.18 2.35 -0.36 -2.71 115.58 120.97 2wr2 h ASN 379 Ca 0.26 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2wr2 h ASN 379 Cb 0.05 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2wr2 h ASN 379 CO -0.04 0.91 -0.01 0.50 -1.65 0.00 0.00 177.43 177.15 2wr2 h LYS 380 N 0.87 -0.02 0.04 0.81 3.64 -0.96 -0.99 116.57 119.96 2wr2 h LYS 380 Ca 0.17 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2wr2 h LYS 380 Cb 0.43 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2wr2 h LYS 380 CO 0.01 0.09 -0.09 0.28 -2.27 0.00 0.00 179.45 177.47 2wr2 h VAL 381 N -0.13 0.78 -0.00 2.00 2.07 -1.22 -1.97 116.25 117.77 2wr2 h VAL 381 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wr2 h VAL 381 Cb 0.12 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2wr2 h VAL 381 CO 0.00 0.00 -0.13 -0.46 0.02 0.00 0.00 177.57 177.00 2wr2 n ASN 382 N -5.21 0.13 -0.06 0.57 0.23 -1.03 -1.24 115.26 108.65 2wr2 n ASN 382 Ca -0.06 0.29 -0.12 0.00 -0.53 0.00 0.00 54.58 54.16 2wr2 n ASN 382 Cb 0.14 -0.30 -0.06 0.00 -2.08 0.00 0.00 39.78 37.48 2wr2 n ASN 382 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2wr2 h SER 383 N 0.00 0.34 0.16 0.53 0.02 -0.91 0.62 113.55 114.32 2wr2 h SER 383 Ca 0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2wr2 h SER 383 Cb 0.50 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2wr2 h SER 383 CO 0.00 0.60 -0.08 0.58 -1.14 0.00 0.00 176.83 176.80 2wr2 h VAL 384 N 0.07 0.87 -0.22 2.27 2.07 -0.95 -2.99 116.25 117.37 2wr2 h VAL 384 Ca 0.05 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 2wr2 h VAL 384 Cb 0.44 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2wr2 h VAL 384 CO 0.01 0.03 -0.34 0.40 0.02 0.00 0.00 177.57 177.70 2wr2 h ILE 385 N -0.28 1.32 0.00 4.57 2.04 -1.22 -3.36 117.51 120.58 2wr2 h ILE 385 Ca -0.02 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2wr2 h ILE 385 Cb 0.22 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2wr2 h ILE 385 CO 0.04 0.48 -0.58 -0.33 0.00 0.00 0.00 178.15 177.76 2wr2 h GLU 386 N 0.31 0.00 0.00 2.37 5.08 -0.94 -3.25 114.58 118.15 2wr2 h GLU 386 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wr2 h GLU 386 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2wr2 h GLU 386 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 2wr2 n LYS 387 N -2.15 0.55 -2.93 2.33 4.76 -1.13 -4.81 118.16 114.79 2wr2 n LYS 387 Ca 0.03 0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 55.09 2wr2 n LYS 387 Cb 0.44 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 2wr2 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr2 s MET 388 N -2.38 4.44 0.39 1.97 1.75 -1.23 -5.06 119.30 119.19 2wr2 s MET 388 Ca 0.31 1.05 -0.19 0.00 -1.25 0.00 0.00 55.69 55.61 2wr2 s MET 388 Cb 0.18 -3.48 -0.10 0.00 2.84 0.00 0.00 34.83 34.28 2wr2 s MET 388 CO 0.38 -0.04 0.87 1.21 -0.65 0.00 0.00 175.02 176.79 2wr2 s ASN 389 N 0.92 6.89 -0.40 1.11 3.04 -1.26 -5.04 114.94 120.21 2wr2 s ASN 389 Ca 0.41 1.55 0.10 0.00 0.04 0.00 0.00 52.86 54.96 2wr2 s ASN 389 Cb -0.18 -2.48 0.33 0.00 -1.54 0.00 0.00 41.25 37.37 2wr2 s ASN 389 CO 0.20 -0.30 0.84 0.41 -3.04 0.00 0.00 177.10 175.21 2wr2 n THR 390 N -0.50 -0.15 -2.92 -5.21 -1.04 -1.26 -4.91 114.28 98.29 2wr2 n THR 390 Ca 0.06 -3.45 -0.32 0.00 -2.04 0.00 0.00 64.05 58.30 2wr2 n THR 390 Cb 0.54 0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 69.22 2wr2 n THR 390 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wr2 s GLN 391 N -1.35 4.04 0.23 -2.82 -2.07 -1.26 -4.64 119.66 111.79 2wr2 s GLN 391 Ca 0.34 0.82 -0.31 0.00 -1.82 0.00 0.00 55.36 54.39 2wr2 s GLN 391 Cb 0.31 -2.31 -0.15 0.00 -1.09 0.00 0.00 33.01 29.77 2wr2 s GLN 391 CO -0.08 0.03 1.19 0.34 -1.32 0.00 0.00 175.29 175.44 2wr2 n PHE 392 N -0.70 1.53 -3.74 9.60 7.35 -1.26 -4.62 117.46 125.62 2wr2 n PHE 392 Ca 0.05 0.62 -0.13 0.00 -0.76 0.00 0.00 57.45 57.23 2wr2 n PHE 392 Cb 0.54 -2.32 -0.09 0.00 0.35 0.00 0.00 39.48 37.95 2wr2 n PHE 392 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2wr2 s GLU 393 N -0.74 0.59 -0.25 -4.13 2.02 0.08 -4.97 118.70 111.30 2wr2 s GLU 393 Ca 0.67 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.83 2wr2 s GLU 393 Cb -0.75 0.27 0.06 0.00 0.10 0.00 0.00 34.13 33.81 2wr2 s GLU 393 CO 0.54 -0.14 -0.10 0.00 0.02 0.00 0.00 175.26 175.58 2wr2 s ALA 394 N -0.66 2.40 -0.06 5.21 0.00 -1.26 -1.06 121.76 126.32 2wr2 s ALA 394 Ca -0.08 -1.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.00 2wr2 s ALA 394 Cb -0.04 -1.52 -0.24 0.00 0.00 0.00 0.00 23.12 21.32 2wr2 s ALA 394 CO 0.03 -1.15 1.01 0.28 0.00 0.00 0.00 175.76 175.93 2wr2 h VAL 395 N 6.70 1.57 -3.45 0.00 2.07 -1.69 -3.45 116.25 118.00 2wr2 h VAL 395 Ca -0.20 -1.91 -0.53 0.00 0.82 0.00 0.00 66.70 64.88 2wr2 h VAL 395 Cb 1.05 2.81 0.06 0.00 -1.52 0.00 0.00 31.29 33.69 2wr2 h VAL 395 CO 0.46 0.51 0.73 -0.83 0.02 0.00 0.00 177.57 178.46 2wr2 s GLY 396 N -3.87 2.43 0.22 2.17 0.00 -1.26 -5.01 107.32 101.99 2wr2 s GLY 396 Ca -0.16 1.30 0.03 0.00 0.00 0.00 0.00 44.72 45.88 2wr2 s GLY 396 CO 0.72 2.21 0.01 0.54 0.00 0.00 0.00 173.10 176.59 2wr2 s LYS 397 N -0.55 1.28 -0.11 2.90 1.02 -1.26 -4.53 119.74 118.49 2wr2 s LYS 397 Ca 0.58 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2wr2 s LYS 397 Cb -0.41 -0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.40 2wr2 s LYS 397 CO 0.44 -0.13 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.40 2wr2 s GLU 398 N -3.90 3.23 -0.02 1.68 0.41 -1.26 -5.09 118.70 113.75 2wr2 s GLU 398 Ca 0.28 -0.68 0.01 0.00 -0.41 0.00 0.00 54.97 54.17 2wr2 s GLU 398 Cb 0.06 -2.59 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 2wr2 s GLU 398 CO 0.08 0.30 -0.02 -0.06 -0.49 0.00 0.00 175.26 175.07 2wr2 s PHE 399 N 0.13 0.33 0.86 1.61 0.08 -1.26 -4.95 117.98 114.78 2wr2 s PHE 399 Ca -0.06 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 2wr2 s PHE 399 Cb -0.15 -0.31 0.11 0.00 -0.57 0.00 0.00 43.02 42.10 2wr2 s PHE 399 CO 0.05 -0.07 1.09 -1.54 -0.10 0.00 0.00 175.22 174.65 2wr2 s SER 400 N 0.43 3.81 0.00 1.36 1.04 -1.26 -4.90 113.70 114.18 2wr2 s SER 400 Ca -0.04 1.44 0.22 0.00 0.48 0.00 0.00 55.95 58.05 2wr2 s SER 400 Cb -0.07 -2.14 1.30 0.00 0.10 0.00 0.00 66.02 65.21 2wr2 s SER 400 CO -0.01 -2.42 1.71 -0.46 0.98 0.00 0.00 173.24 173.04 2wr2 n ASN 401 N -3.74 0.00 -1.46 7.02 0.23 -1.26 -1.03 115.26 115.03 2wr2 n ASN 401 Ca 0.07 -0.85 0.08 0.00 -0.53 0.00 0.00 54.58 53.35 2wr2 n ASN 401 Cb 0.55 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.60 2wr2 n ASN 401 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2wr2 n LEU 402 N -0.95 4.93 -1.92 -4.53 4.77 -1.26 -4.39 117.00 113.66 2wr2 n LEU 402 Ca 0.16 -2.97 -0.10 0.00 -0.03 0.00 0.00 56.01 53.07 2wr2 n LEU 402 Cb 0.07 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2wr2 n LEU 402 CO 0.12 0.65 0.16 -0.62 -1.33 0.00 0.00 177.39 176.37 2wr2 n GLU 403 N 0.13 2.48 -0.16 3.23 1.02 -0.20 -4.86 120.64 122.29 2wr2 n GLU 403 Ca 0.25 -3.66 -0.00 0.00 -0.02 0.00 0.00 57.16 53.72 2wr2 n GLU 403 Cb 1.07 -1.80 0.25 0.00 -0.02 0.00 0.00 31.44 30.93 2wr2 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr2 h ARG 404 N 1.97 0.88 -0.26 3.49 -0.00 -1.77 -1.20 114.38 117.48 2wr2 h ARG 404 Ca 0.13 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.98 59.48 2wr2 h ARG 404 Cb 1.41 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 31.19 2wr2 h ARG 404 CO 0.43 0.65 0.03 0.00 0.00 0.00 0.00 179.97 181.08 2wr2 h ARG 405 N 0.89 0.44 -0.86 0.04 3.08 -1.96 -0.55 114.38 115.46 2wr2 h ARG 405 Ca 0.22 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2wr2 h ARG 405 Cb 0.04 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 2wr2 h ARG 405 CO -0.04 0.58 0.56 1.25 -1.07 0.00 0.00 179.97 181.25 2wr2 h LEU 406 N 0.25 0.94 -0.87 3.04 5.85 -1.89 0.71 115.31 123.34 2wr2 h LEU 406 Ca 0.08 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2wr2 h LEU 406 Cb 0.36 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2wr2 h LEU 406 CO 0.01 0.66 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.45 2wr2 h GLU 407 N 1.10 0.57 -0.36 1.25 4.81 -1.00 -1.91 114.58 119.05 2wr2 h GLU 407 Ca 0.33 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2wr2 h GLU 407 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2wr2 h GLU 407 CO -0.10 0.76 -0.15 -0.97 -0.73 0.00 0.00 179.01 177.82 2wr2 h ASN 408 N 0.51 0.75 -0.74 1.04 -1.24 -0.44 -1.79 115.58 113.66 2wr2 h ASN 408 Ca 0.07 -0.39 0.09 0.00 0.71 0.00 0.00 56.30 56.78 2wr2 h ASN 408 Cb 0.67 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 39.45 2wr2 h ASN 408 CO 0.05 0.97 0.39 0.25 -1.29 0.00 0.00 177.43 177.80 2wr2 h LEU 409 N 0.52 0.54 -0.61 0.34 6.46 -0.69 0.11 115.31 121.98 2wr2 h LEU 409 Ca 0.08 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2wr2 h LEU 409 Cb 0.68 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 2wr2 h LEU 409 CO 0.05 0.31 0.21 -1.13 -0.62 0.00 0.00 178.44 177.26 2wr2 h ASN 410 N 0.67 0.87 -0.40 1.25 -1.24 -1.19 -1.84 115.58 113.70 2wr2 h ASN 410 Ca 0.36 -0.20 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 2wr2 h ASN 410 Cb 0.34 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2wr2 h ASN 410 CO -0.25 0.83 -0.23 0.50 -1.29 0.00 0.00 177.43 177.00 2wr2 h LYS 411 N 0.86 0.91 -0.75 6.67 3.64 -0.84 -1.38 116.57 125.67 2wr2 h LYS 411 Ca 0.20 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2wr2 h LYS 411 Cb 0.26 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2wr2 h LYS 411 CO -0.01 1.04 0.50 -0.22 -2.27 0.00 0.00 179.45 178.49 2wr2 h LYS 412 N 0.79 0.99 -0.23 1.90 1.63 -0.65 0.83 116.57 121.82 2wr2 h LYS 412 Ca 0.10 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 2wr2 h LYS 412 Cb 0.78 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2wr2 h LYS 412 CO 0.07 0.66 0.01 1.98 -3.45 0.00 0.00 179.45 178.72 2wr2 h MET 413 N 1.02 0.40 -0.73 1.90 4.05 -1.05 0.34 114.93 120.87 2wr2 h MET 413 Ca 0.28 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 2wr2 h MET 413 Cb -0.12 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.61 2wr2 h MET 413 CO -0.06 0.57 0.25 0.93 0.23 0.00 0.00 176.91 178.83 2wr2 h GLU 414 N 0.18 1.11 -0.31 0.39 4.39 -0.99 -2.15 114.58 117.20 2wr2 h GLU 414 Ca 0.07 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 2wr2 h GLU 414 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2wr2 h GLU 414 CO 0.01 0.93 -0.21 -0.44 -1.16 0.00 0.00 179.01 178.13 2wr2 h ASP 415 N 1.07 0.58 -0.30 1.42 3.32 -0.74 -1.10 116.42 120.67 2wr2 h ASP 415 Ca 0.24 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wr2 h ASP 415 Cb 0.27 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2wr2 h ASP 415 CO -0.01 0.79 0.14 1.23 -1.72 0.00 0.00 179.24 179.67 2wr2 h GLY 416 N 1.00 0.48 1.78 2.75 0.00 -0.47 -1.50 103.07 107.10 2wr2 h GLY 416 Ca 0.08 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 2wr2 h GLY 416 CO 0.05 0.23 -0.70 0.74 0.00 0.00 0.00 176.54 176.86 2wr2 h PHE 417 N 0.35 0.29 -0.41 5.60 0.04 -1.32 -1.84 116.94 119.65 2wr2 h PHE 417 Ca 0.10 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2wr2 h PHE 417 Cb 0.15 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2wr2 h PHE 417 CO -0.01 0.84 0.27 1.25 -0.60 0.00 0.00 178.31 180.06 2wr2 h LEU 418 N 0.15 0.47 -0.36 1.54 5.85 -1.12 -0.24 115.31 121.61 2wr2 h LEU 418 Ca -0.02 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2wr2 h LEU 418 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2wr2 h LEU 418 CO 0.11 0.34 0.11 0.44 -0.34 0.00 0.00 178.44 179.10 2wr2 h ASP 419 N 0.56 0.52 -0.08 1.25 5.19 -1.09 -0.43 116.42 122.33 2wr2 h ASP 419 Ca 0.15 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2wr2 h ASP 419 Cb -0.06 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 2wr2 h ASP 419 CO -0.03 0.59 0.05 0.58 -3.12 0.00 0.00 179.24 177.30 2wr2 h VAL 420 N 0.42 1.08 -0.35 -1.35 2.07 -1.19 -1.92 116.25 115.03 2wr2 h VAL 420 Ca 0.11 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 2wr2 h VAL 420 Cb 0.26 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wr2 h VAL 420 CO -0.00 0.07 -0.20 -0.50 0.02 0.00 0.00 177.57 176.95 2wr2 h TRP 421 N 0.04 0.87 -0.01 1.57 4.06 -0.97 -1.59 115.95 119.92 2wr2 h TRP 421 Ca 0.03 -0.23 -0.00 0.00 2.06 0.00 0.00 58.89 60.75 2wr2 h TRP 421 Cb 0.08 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2wr2 h TRP 421 CO -0.05 0.96 0.01 1.15 -3.56 0.00 0.00 178.44 176.96 2wr2 h THR 422 N 0.53 1.06 0.06 1.49 2.02 -1.07 -0.74 112.91 116.26 2wr2 h THR 422 Ca 0.07 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2wr2 h THR 422 Cb 0.76 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2wr2 h THR 422 CO 0.06 0.05 -0.03 0.22 0.37 0.00 0.00 175.52 176.19 2wr2 h TYR 423 N -0.05 -0.08 0.00 3.16 3.20 -1.33 -2.09 116.97 119.78 2wr2 h TYR 423 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2wr2 h TYR 423 Cb 0.07 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2wr2 h TYR 423 CO -0.05 -0.05 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.24 2wr2 h ASN 424 N -0.08 0.00 0.06 -2.11 -0.26 -1.19 -1.24 115.58 110.76 2wr2 h ASN 424 Ca -0.01 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.55 2wr2 h ASN 424 Cb 0.06 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 2wr2 h ASN 424 CO 0.01 0.27 -0.77 0.00 -1.06 0.00 0.00 177.43 175.88 2wr2 h ALA 425 N 1.73 0.01 -0.11 -0.83 0.00 -1.02 -1.19 119.26 117.86 2wr2 h ALA 425 Ca -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.28 2wr2 h ALA 425 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wr2 h ALA 425 CO 0.03 0.41 0.01 0.93 0.00 0.00 0.00 179.25 180.63 2wr2 h GLU 426 N -0.12 0.05 -0.04 0.00 4.39 -1.16 -2.34 114.58 115.36 2wr2 h GLU 426 Ca -0.11 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 2wr2 h GLU 426 Cb 1.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 2wr2 h GLU 426 CO 0.15 0.03 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.53 2wr2 h LEU 427 N 0.05 0.09 -0.45 1.33 4.07 -1.30 -2.40 115.31 116.70 2wr2 h LEU 427 Ca 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2wr2 h LEU 427 Cb 0.05 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2wr2 h LEU 427 CO -0.08 0.51 0.17 0.25 -1.08 0.00 0.00 178.44 178.21 2wr2 h LEU 428 N 0.07 0.62 -0.23 1.67 5.85 -1.05 -1.54 115.31 120.70 2wr2 h LEU 428 Ca 0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2wr2 h LEU 428 Cb 0.78 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2wr2 h LEU 428 CO 0.06 0.63 0.02 0.58 -0.34 0.00 0.00 178.44 179.38 2wr2 h VAL 429 N 0.58 1.24 -0.02 1.05 2.07 -1.19 -0.74 116.25 119.24 2wr2 h VAL 429 Ca 0.15 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2wr2 h VAL 429 Cb 0.20 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2wr2 h VAL 429 CO -0.01 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.74 2wr2 h LEU 430 N 0.18 -0.11 -0.05 2.57 3.38 -1.42 -0.51 115.31 119.35 2wr2 h LEU 430 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wr2 h LEU 430 Cb 0.37 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wr2 h LEU 430 CO 0.01 -0.05 0.03 0.24 0.09 0.00 0.00 178.44 178.76 2wr2 h MET 431 N -0.05 0.07 0.00 1.13 2.86 -1.21 -2.44 114.93 115.30 2wr2 h MET 431 Ca 0.02 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 2wr2 h MET 431 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2wr2 h MET 431 CO -0.06 0.10 -0.41 0.93 1.06 0.00 0.00 176.91 178.53 2wr2 h GLU 432 N 0.02 0.00 -0.44 1.72 4.39 -1.08 -2.65 114.58 116.53 2wr2 h GLU 432 Ca 0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2wr2 h GLU 432 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2wr2 h GLU 432 CO -0.00 0.41 -0.18 -0.91 -1.16 0.00 0.00 179.01 177.17 2wr2 h ASN 433 N 0.00 0.86 -0.39 1.42 2.35 -0.97 -0.38 115.58 118.48 2wr2 h ASN 433 Ca -0.00 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2wr2 h ASN 433 Cb 0.90 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2wr2 h ASN 433 CO 0.05 1.03 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.63 2wr2 h GLU 434 N 0.76 0.86 -0.17 0.81 4.57 -1.18 -2.32 114.58 117.90 2wr2 h GLU 434 Ca 0.11 -0.32 -0.13 0.00 -1.18 0.00 0.00 59.36 57.84 2wr2 h GLU 434 Cb 0.70 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2wr2 h GLU 434 CO 0.05 0.95 -0.45 0.00 -1.18 0.00 0.00 179.01 178.38 2wr2 h ARG 435 N 0.76 0.43 -0.51 1.92 3.08 -1.29 -2.10 114.38 116.67 2wr2 h ARG 435 Ca 0.12 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2wr2 h ARG 435 Cb 0.67 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2wr2 h ARG 435 CO 0.05 0.80 -0.03 1.15 -1.07 0.00 0.00 179.97 180.86 2wr2 h THR 436 N 0.35 1.27 -0.47 2.04 2.02 -0.94 0.22 112.91 117.39 2wr2 h THR 436 Ca 0.02 -1.14 -0.11 0.00 0.77 0.00 0.00 66.41 65.95 2wr2 h THR 436 Cb 0.93 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2wr2 h THR 436 CO 0.08 0.40 -0.13 -0.07 0.37 0.00 0.00 175.52 176.17 2wr2 h LEU 437 N 0.79 0.93 -1.15 2.58 3.38 -1.35 -1.71 115.31 118.78 2wr2 h LEU 437 Ca 0.14 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2wr2 h LEU 437 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wr2 h LEU 437 CO 0.03 1.08 -0.11 0.44 0.09 0.00 0.00 178.44 179.98 2wr2 h ASP 438 N 0.76 0.45 -0.14 -0.43 3.32 -1.26 -1.20 116.42 117.92 2wr2 h ASP 438 Ca 0.12 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2wr2 h ASP 438 Cb 0.69 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2wr2 h ASP 438 CO 0.05 0.60 0.04 0.15 -1.72 0.00 0.00 179.24 178.36 2wr2 h PHE 439 N 0.44 0.23 -0.58 4.55 3.57 -0.20 -0.33 116.94 124.61 2wr2 h PHE 439 Ca 0.08 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2wr2 h PHE 439 Cb 0.46 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2wr2 h PHE 439 CO 0.01 0.36 0.37 0.45 -2.23 0.00 0.00 178.31 177.26 2wr2 h HIS 440 N 0.04 0.69 -0.63 0.41 3.86 -1.19 -1.84 115.15 116.49 2wr2 h HIS 440 Ca 0.05 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 2wr2 h HIS 440 Cb 0.23 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 2wr2 h HIS 440 CO 0.00 0.40 0.32 0.22 0.86 0.00 0.00 177.93 179.74 2wr2 h ASP 441 N 0.73 0.46 -0.73 2.45 3.58 -0.94 -2.22 116.42 119.74 2wr2 h ASP 441 Ca 0.23 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 2wr2 h ASP 441 Cb -0.01 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2wr2 h ASP 441 CO -0.08 0.29 0.26 -1.28 -2.88 0.00 0.00 179.24 175.54 2wr2 h SER 442 N 0.60 1.05 -0.62 2.28 0.87 -0.77 -2.19 113.55 114.77 2wr2 h SER 442 Ca 0.29 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2wr2 h SER 442 Cb 0.22 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2wr2 h SER 442 CO -0.20 0.96 0.20 0.78 -0.53 0.00 0.00 176.83 178.04 2wr2 h ASN 443 N 1.10 0.92 -0.10 6.23 2.35 -0.85 0.22 115.58 125.45 2wr2 h ASN 443 Ca 0.24 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2wr2 h ASN 443 Cb 0.27 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2wr2 h ASN 443 CO -0.01 0.87 0.01 0.58 -1.65 0.00 0.00 177.43 177.22 2wr2 h VAL 444 N 0.96 1.23 -0.41 2.81 2.07 -1.22 -2.21 116.25 119.48 2wr2 h VAL 444 Ca 0.21 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2wr2 h VAL 444 Cb 0.28 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2wr2 h VAL 444 CO -0.01 0.21 0.22 0.50 0.02 0.00 0.00 177.57 178.52 2wr2 h LYS 445 N -0.09 0.44 -0.56 1.57 1.63 -1.23 -1.01 116.57 117.33 2wr2 h LYS 445 Ca 0.03 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2wr2 h LYS 445 Cb 0.32 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2wr2 h LYS 445 CO 0.00 0.29 0.18 -0.91 -3.45 0.00 0.00 179.45 175.56 2wr2 h ASN 446 N 0.45 0.76 -0.31 4.20 2.35 -0.92 -0.47 115.58 121.64 2wr2 h ASN 446 Ca 0.17 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2wr2 h ASN 446 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2wr2 h ASN 446 CO -0.10 0.72 -0.22 0.25 -1.65 0.00 0.00 177.43 176.43 2wr2 h LEU 447 N 0.81 0.73 -0.52 1.61 5.85 -1.02 -0.36 115.31 122.41 2wr2 h LEU 447 Ca 0.19 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2wr2 h LEU 447 Cb 0.23 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2wr2 h LEU 447 CO -0.01 1.01 0.21 0.22 -0.34 0.00 0.00 178.44 179.54 2wr2 h TYR 448 N 0.46 0.38 -0.22 1.25 3.20 -0.78 -2.50 116.97 118.75 2wr2 h TYR 448 Ca 0.06 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2wr2 h TYR 448 Cb 0.77 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2wr2 h TYR 448 CO 0.07 0.14 -0.29 -0.44 -1.64 0.00 0.00 178.16 175.99 2wr2 h ASP 449 N 0.41 0.45 -0.97 -2.11 3.32 -0.87 -1.66 116.42 114.99 2wr2 h ASP 449 Ca 0.25 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.21 2wr2 h ASP 449 Cb 0.24 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 2wr2 h ASP 449 CO -0.23 0.73 0.63 0.11 -1.72 0.00 0.00 179.24 178.76 2wr2 h LYS 450 N 0.39 1.07 0.07 3.56 1.57 -0.63 0.13 116.57 122.73 2wr2 h LYS 450 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wr2 h LYS 450 Cb 0.72 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2wr2 h LYS 450 CO 0.05 0.71 -0.03 0.28 -0.57 0.00 0.00 179.45 179.89 2wr2 h VAL 451 N 1.10 1.20 -0.51 0.50 2.07 -1.23 -2.97 116.25 116.41 2wr2 h VAL 451 Ca 0.42 -1.43 0.10 0.00 0.82 0.00 0.00 66.70 66.62 2wr2 h VAL 451 Cb 0.22 2.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 2wr2 h VAL 451 CO -0.17 0.33 -0.08 -0.09 0.02 0.00 0.00 177.57 177.58 2wr2 h ARG 452 N -0.79 0.04 0.00 1.57 2.43 -1.14 0.18 114.38 116.67 2wr2 h ARG 452 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wr2 h ARG 452 Cb 0.61 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2wr2 h ARG 452 CO 0.02 0.02 0.00 -1.33 -1.51 0.00 0.00 179.97 177.17 2wr2 n MET 453 N -5.32 0.06 -0.01 0.20 2.81 0.02 -1.74 117.12 113.15 2wr2 n MET 453 Ca 0.05 0.31 -0.15 0.00 -1.81 0.00 0.00 57.70 56.10 2wr2 n MET 453 Cb 0.27 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 2wr2 n MET 453 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2wr2 n GLN 454 N -1.74 0.70 0.09 0.03 6.02 -0.08 -4.45 117.38 117.94 2wr2 n GLN 454 Ca 0.03 0.27 -0.20 0.00 -0.01 0.00 0.00 57.00 57.09 2wr2 n GLN 454 Cb 0.19 -1.74 -0.15 0.00 1.02 0.00 0.00 30.24 29.56 2wr2 n GLN 454 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wr2 h LEU 455 N 0.04 0.55 0.00 1.08 4.07 -0.75 -3.43 115.31 116.87 2wr2 h LEU 455 Ca -0.36 -0.71 0.00 0.00 0.08 0.00 0.00 57.88 56.89 2wr2 h LEU 455 Cb 2.03 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.59 2wr2 h LEU 455 CO 0.08 1.58 0.00 0.54 -1.08 0.00 0.00 178.44 179.56 2wr2 n ARG 456 N -3.56 0.00 0.10 1.13 1.74 -0.71 -1.30 116.66 114.07 2wr2 n ARG 456 Ca -0.18 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.87 2wr2 n ARG 456 Cb 1.06 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.54 2wr2 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr2 h ASP 457 N 0.00 0.00 0.00 0.55 3.32 -1.92 -3.35 116.42 115.01 2wr2 h ASP 457 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wr2 h ASP 457 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wr2 h ASP 457 CO 0.00 0.78 0.00 0.59 -1.72 0.00 0.00 179.24 178.89 2wr2 n ASN 458 N -3.54 0.16 -3.57 6.45 3.02 -0.42 -4.74 115.26 112.62 2wr2 n ASN 458 Ca -0.00 -1.28 -0.17 0.00 -0.03 0.00 0.00 54.58 53.10 2wr2 n ASN 458 Cb 0.77 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 2wr2 n ASN 458 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wr2 s VAL 459 N -1.75 0.01 -0.04 2.41 0.11 -1.26 -0.56 120.40 119.32 2wr2 s VAL 459 Ca 0.00 -0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 58.75 2wr2 s VAL 459 Cb 0.00 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2wr2 s VAL 459 CO 0.00 -0.06 0.50 -0.54 -3.33 0.00 0.00 175.10 171.67 2wr2 s LYS 460 N -1.40 4.22 -0.52 1.54 1.02 -0.21 -4.88 119.74 119.51 2wr2 s LYS 460 Ca -0.11 0.55 -0.22 0.00 0.02 0.00 0.00 55.97 56.21 2wr2 s LYS 460 Cb -0.01 -3.34 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2wr2 s LYS 460 CO 0.07 0.39 0.81 -2.00 -0.92 0.00 0.00 175.35 173.70 2wr2 s GLU 461 N -0.16 3.28 0.15 1.68 2.12 -1.26 -1.87 118.70 122.63 2wr2 s GLU 461 Ca 0.27 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 2wr2 s GLU 461 Cb -0.17 -4.05 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 2wr2 s GLU 461 CO 0.14 -1.33 1.37 -0.07 -0.54 0.00 0.00 175.26 174.82 2wr2 h LEU 462 N 10.42 0.58 0.00 2.70 4.07 -1.86 -3.48 115.31 127.73 2wr2 h LEU 462 Ca -0.26 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.29 2wr2 h LEU 462 Cb 1.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2wr2 h LEU 462 CO 1.02 1.17 0.00 0.61 -1.08 0.00 0.00 178.44 180.17 2wr2 n GLY 463 N 0.71 1.18 0.08 0.83 0.00 -1.26 -4.95 105.19 101.78 2wr2 n GLY 463 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wr2 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr2 n ASN 464 N 0.02 0.41 0.00 1.61 6.94 -1.26 -4.82 115.26 118.16 2wr2 n ASN 464 Ca 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 2wr2 n ASN 464 Cb 0.00 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2wr2 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr2 n GLY 465 N -0.13 0.54 3.77 4.83 0.00 -1.26 -4.53 105.19 108.41 2wr2 n GLY 465 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wr2 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr2 s PHE 467 N -1.33 2.34 -0.37 0.00 0.08 0.57 -2.29 117.98 116.99 2wr2 s PHE 467 Ca 0.27 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.27 2wr2 s PHE 467 Cb -0.12 -1.59 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 2wr2 s PHE 467 CO 0.20 -0.43 0.15 -2.00 -0.10 0.00 0.00 175.22 173.04 2wr2 s GLU 468 N 0.51 2.44 0.54 0.44 2.12 -0.78 -1.24 118.70 122.73 2wr2 s GLU 468 Ca -0.16 -1.42 -0.22 0.00 0.36 0.00 0.00 54.97 53.54 2wr2 s GLU 468 Cb -0.17 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 2wr2 s GLU 468 CO 0.06 -0.83 1.34 -0.06 -0.54 0.00 0.00 175.26 175.23 2wr2 s PHE 469 N 1.32 2.32 -1.57 5.30 0.08 -1.26 -1.04 117.98 123.12 2wr2 s PHE 469 Ca 0.01 1.39 0.12 0.00 0.12 0.00 0.00 56.93 58.57 2wr2 s PHE 469 Cb -0.21 -3.77 0.44 0.00 -0.57 0.00 0.00 43.02 38.90 2wr2 s PHE 469 CO 0.00 -2.81 1.32 0.66 -0.10 0.00 0.00 175.22 174.29 2wr2 n TYR 470 N -1.02 0.81 -3.98 0.36 4.01 0.27 -4.87 117.16 112.75 2wr2 n TYR 470 Ca 0.10 -0.35 -0.10 0.00 -0.16 0.00 0.00 57.90 57.40 2wr2 n TYR 470 Cb 0.45 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 2wr2 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr2 s HIS 471 N -1.59 0.42 -0.25 -0.72 -3.43 -1.26 -4.71 115.29 103.74 2wr2 s HIS 471 Ca 0.32 -0.76 -0.29 0.00 -0.80 0.00 0.00 55.06 53.52 2wr2 s HIS 471 Cb 0.19 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 31.35 2wr2 s HIS 471 CO 0.18 -0.82 1.33 0.15 -2.00 0.00 0.00 174.74 173.58 2wr2 s LYS 472 N -4.00 3.98 -0.37 -0.38 -0.14 -1.26 -4.98 119.74 112.60 2wr2 s LYS 472 Ca 0.20 1.41 -0.04 0.00 -1.36 0.00 0.00 55.97 56.18 2wr2 s LYS 472 Cb 0.02 -3.87 0.08 0.00 -1.68 0.00 0.00 37.83 32.37 2wr2 s LYS 472 CO 0.04 -1.03 0.14 0.00 -0.76 0.00 0.00 175.35 173.74 2wr2 n ASP 474 N 4.70 0.00 -0.19 0.00 5.75 -1.26 -4.70 116.55 120.86 2wr2 n ASP 474 Ca -0.08 -0.76 -0.09 0.00 -0.01 0.00 0.00 54.79 53.84 2wr2 n ASP 474 Cb 0.43 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.53 2wr2 n ASP 474 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wr2 h ASP 475 N 0.00 0.93 -0.86 -1.12 3.32 -1.99 -0.74 116.42 115.96 2wr2 h ASP 475 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.75 2wr2 h ASP 475 Cb 0.00 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 2wr2 h ASP 475 CO 0.00 1.00 0.56 -0.33 -1.72 0.00 0.00 179.24 178.75 2wr2 h GLU 476 N 0.83 1.14 -0.45 3.56 4.39 -1.99 -1.43 114.58 120.63 2wr2 h GLU 476 Ca 0.15 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 2wr2 h GLU 476 Cb 0.52 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2wr2 h GLU 476 CO 0.03 0.77 -0.07 0.00 -1.16 0.00 0.00 179.01 178.57 2wr2 h MET 478 N 0.67 0.78 -0.27 0.00 2.86 -0.82 -2.21 114.93 115.94 2wr2 h MET 478 Ca 0.12 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2wr2 h MET 478 Cb 0.60 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2wr2 h MET 478 CO 0.04 0.52 -0.00 -0.97 1.06 0.00 0.00 176.91 177.55 2wr2 h ASN 479 N 0.81 0.38 0.67 1.22 -0.00 -0.98 -1.16 115.58 116.50 2wr2 h ASN 479 Ca 0.34 -0.06 -0.10 0.00 -0.00 0.00 0.00 56.30 56.48 2wr2 h ASN 479 Cb 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 2wr2 h ASN 479 CO -0.19 0.44 -0.50 0.77 -0.00 0.00 0.00 177.43 177.96 2wr2 h SER 480 N 0.40 0.00 -0.29 1.15 4.64 -1.01 0.04 113.55 118.48 2wr2 h SER 480 Ca 0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2wr2 h SER 480 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2wr2 h SER 480 CO 0.01 0.50 -0.15 0.58 -0.87 0.00 0.00 176.83 176.89 2wr2 h VAL 481 N 0.00 1.30 -0.39 0.95 2.07 -0.79 0.27 116.25 119.65 2wr2 h VAL 481 Ca -0.00 -1.26 -0.14 0.00 0.82 0.00 0.00 66.70 66.12 2wr2 h VAL 481 Cb 0.97 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2wr2 h VAL 481 CO 0.06 0.40 -0.32 0.11 0.02 0.00 0.00 177.57 177.84 2wr2 h LYS 482 N 0.35 0.88 -0.41 1.57 1.57 -1.08 -3.06 116.57 116.39 2wr2 h LYS 482 Ca 0.06 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2wr2 h LYS 482 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2wr2 h LYS 482 CO 0.04 1.07 0.00 0.27 -0.57 0.00 0.00 179.45 180.27 2wr2 n ASN 483 N -4.07 2.16 -3.07 0.86 0.23 -0.02 -4.94 115.26 106.41 2wr2 n ASN 483 Ca -0.01 -2.03 -0.20 0.00 -0.53 0.00 0.00 54.58 51.81 2wr2 n ASN 483 Cb 0.51 -0.28 0.07 0.00 -2.08 0.00 0.00 39.78 37.99 2wr2 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr2 n GLY 484 N 1.06 -0.29 0.19 4.83 0.00 -0.76 -4.91 105.19 105.31 2wr2 n GLY 484 Ca 0.13 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.28 2wr2 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr2 n THR 485 N -4.57 0.77 -1.59 2.61 -2.24 0.87 -5.03 114.28 105.09 2wr2 n THR 485 Ca 0.00 -0.89 -0.55 0.00 -2.27 0.00 0.00 64.05 60.34 2wr2 n THR 485 Cb 0.55 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 2wr2 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr2 n TYR 486 N -0.54 1.37 -2.92 4.78 9.36 -0.65 -4.87 117.16 123.68 2wr2 n TYR 486 Ca 0.05 0.76 -0.44 0.00 3.32 0.00 0.00 57.90 61.59 2wr2 n TYR 486 Cb 0.57 -2.28 -0.04 0.00 -0.63 0.00 0.00 39.34 36.97 2wr2 n TYR 486 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2wr2 s ASP 487 N 0.85 6.29 0.06 2.98 -1.08 -1.26 -4.92 116.67 119.60 2wr2 s ASP 487 Ca 0.89 -1.35 -0.28 0.00 -0.52 0.00 0.00 52.55 51.30 2wr2 s ASP 487 Cb -1.08 -2.39 -0.17 0.00 -1.46 0.00 0.00 42.92 37.82 2wr2 s ASP 487 CO 0.53 -1.29 1.54 0.22 0.52 0.00 0.00 175.17 176.70 2wr2 h TYR 488 N 9.31 -0.44 -0.94 -5.34 3.20 -1.89 -3.25 116.97 117.61 2wr2 h TYR 488 Ca -0.17 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.80 2wr2 h TYR 488 Cb 1.06 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.40 2wr2 h TYR 488 CO 1.00 -0.21 0.60 -1.35 -1.64 0.00 0.00 178.16 176.56 2wr2 h PRO 489 N -0.59 0.88 -0.89 1.82 0.11 -1.97 -2.40 132.00 128.95 2wr2 h PRO 489 Ca -0.05 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.04 2wr2 h PRO 489 Cb 0.43 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.29 2wr2 h PRO 489 CO 0.08 0.58 0.58 -0.22 -0.21 0.00 0.00 178.00 178.81 2wr2 h LYS 490 N 0.90 1.09 -0.54 1.05 3.64 -1.98 -2.65 116.57 118.07 2wr2 h LYS 490 Ca 0.45 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2wr2 h LYS 490 Cb 0.49 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2wr2 h LYS 490 CO -0.22 0.72 0.00 0.66 -2.27 0.00 0.00 179.45 178.34 2wr2 n TYR 491 N -4.52 0.72 0.38 1.91 4.01 -0.95 -4.57 117.16 114.13 2wr2 n TYR 491 Ca 0.11 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2wr2 n TYR 491 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2wr2 n TYR 491 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2wr2 n GLU 492 N 1.48 0.38 0.15 -0.72 2.13 -0.96 -2.96 120.64 120.14 2wr2 n GLU 492 Ca 0.21 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.16 2wr2 n GLU 492 Cb 0.59 -1.25 0.39 0.00 0.27 0.00 0.00 31.44 31.44 2wr2 n GLU 492 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2wr2 h GLU 493 N 0.94 0.00 0.00 5.31 -0.00 -1.84 -3.47 114.58 115.52 2wr2 h GLU 493 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2wr2 h GLU 493 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 2wr2 h GLU 493 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 179.01 178.16 2wr2 n GLU 494 N -2.52 0.00 -3.42 1.06 -0.00 -1.15 -4.84 120.64 109.77 2wr2 n GLU 494 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.16 57.00 2wr2 n GLU 494 Cb 0.41 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 31.91 2wr2 n GLU 494 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2wr2 n SER 495 N 3.00 -5.50 0.00 -1.84 7.64 -1.26 -4.77 113.62 110.89 2wr2 n SER 495 Ca 0.00 -0.80 0.01 0.00 1.01 0.00 0.00 58.87 59.09 2wr2 n SER 495 Cb 0.00 -4.61 0.05 0.00 -1.01 0.00 0.00 64.21 58.65 2wr2 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32