#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrf s VAL 9 N 0.21 5.23 0.32 0.00 1.01 0.39 -3.66 120.40 123.90 2wrf s VAL 9 Ca -0.15 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 2wrf s VAL 9 Cb -0.17 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2wrf s VAL 9 CO 0.08 0.33 0.85 -0.83 0.00 0.00 0.00 175.10 175.52 2wrf s GLY 10 N 0.68 0.22 0.10 4.51 0.00 -1.21 -4.66 107.32 106.97 2wrf s GLY 10 Ca 0.21 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.42 2wrf s GLY 10 CO 0.07 0.35 -0.13 -2.52 0.00 0.00 0.00 173.10 170.87 2wrf s TYR 11 N -2.52 1.29 0.50 1.90 -0.85 -1.26 -2.56 117.35 113.85 2wrf s TYR 11 Ca 0.16 -0.55 -0.23 0.00 -0.52 0.00 0.00 57.07 55.94 2wrf s TYR 11 Cb -0.04 -0.69 -0.08 0.00 0.38 0.00 0.00 41.96 41.53 2wrf s TYR 11 CO 0.09 0.09 1.16 1.58 -1.52 0.00 0.00 175.55 176.95 2wrf n HIS 12 N 0.72 1.64 -4.15 -3.49 -0.00 1.22 -3.22 115.22 107.94 2wrf n HIS 12 Ca -0.17 0.48 -0.10 0.00 -0.00 0.00 0.00 57.72 57.93 2wrf n HIS 12 Cb 0.56 -2.28 -0.10 0.00 -0.00 0.00 0.00 29.99 28.17 2wrf n HIS 12 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2wrf s SER 13 N -0.85 0.55 0.10 0.26 0.01 -1.25 -4.68 113.70 107.85 2wrf s SER 13 Ca 0.68 -1.14 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 2wrf s SER 13 Cb -0.47 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.03 2wrf s SER 13 CO 0.53 -0.66 0.61 -0.46 0.41 0.00 0.00 173.24 173.67 2wrf n ASN 14 N -0.07 -1.01 -2.17 2.44 0.23 -1.26 -4.28 115.26 109.14 2wrf n ASN 14 Ca -0.08 -1.52 -0.19 0.00 -0.53 0.00 0.00 54.58 52.26 2wrf n ASN 14 Cb 0.63 1.64 -0.07 0.00 -2.08 0.00 0.00 39.78 39.90 2wrf n ASN 14 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wrf n ASN 15 N -0.99 6.03 -4.86 0.53 3.02 -1.26 -4.91 115.26 112.82 2wrf n ASN 15 Ca -0.01 -2.91 -0.37 0.00 -0.03 0.00 0.00 54.58 51.25 2wrf n ASN 15 Cb 0.34 -1.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.20 2wrf n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wrf s SER 16 N 0.93 6.60 0.00 6.41 0.15 -1.26 -4.99 113.70 121.55 2wrf s SER 16 Ca 0.52 0.72 0.04 0.00 0.70 0.00 0.00 55.95 57.93 2wrf s SER 16 Cb 0.31 -2.16 0.06 0.00 -1.71 0.00 0.00 66.02 62.52 2wrf s SER 16 CO -0.10 0.37 0.77 0.35 1.20 0.00 0.00 173.24 175.82 2wrf n THR 17 N 1.89 0.30 -2.38 6.45 -2.24 -1.26 -4.82 114.28 112.21 2wrf n THR 17 Ca -0.17 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.56 2wrf n THR 17 Cb 0.54 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 2wrf n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wrf s GLU 18 N -0.54 4.55 -0.02 -0.78 2.02 -1.26 -4.90 118.70 117.77 2wrf s GLU 18 Ca 0.06 1.90 0.02 0.00 0.02 0.00 0.00 54.97 56.97 2wrf s GLU 18 Cb 0.04 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2wrf s GLU 18 CO 0.05 0.06 -0.04 0.15 0.02 0.00 0.00 175.26 175.50 2wrf s LYS 19 N -1.19 2.69 0.19 1.61 3.01 -1.26 -1.58 119.74 123.21 2wrf s LYS 19 Ca 0.47 -0.64 0.08 0.00 -1.01 0.00 0.00 55.97 54.87 2wrf s LYS 19 Cb -0.34 -2.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.85 2wrf s LYS 19 CO 0.42 0.63 -0.14 0.14 0.51 0.00 0.00 175.35 176.90 2wrf s VAL 20 N -0.99 1.69 0.06 3.17 -7.23 -0.60 -4.92 120.40 111.59 2wrf s VAL 20 Ca 0.17 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2wrf s VAL 20 Cb -0.11 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2wrf s VAL 20 CO 0.07 -0.58 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.47 2wrf s ASP 21 N -3.22 5.02 0.44 4.85 1.11 -1.26 -0.93 116.67 122.68 2wrf s ASP 21 Ca 0.21 -0.13 0.03 0.00 0.18 0.00 0.00 52.55 52.84 2wrf s ASP 21 Cb -0.01 -1.23 -0.01 0.00 1.07 0.00 0.00 42.92 42.74 2wrf s ASP 21 CO 0.06 0.21 0.10 0.35 1.18 0.00 0.00 175.17 177.08 2wrf n THR 22 N 0.87 0.00 0.09 -1.27 -2.24 -0.46 -4.43 114.28 106.84 2wrf n THR 22 Ca -0.12 -2.38 -0.07 0.00 -2.27 0.00 0.00 64.05 59.21 2wrf n THR 22 Cb 0.52 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 2wrf n THR 22 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2wrf h ILE 23 N 1.55 1.47 0.00 2.28 2.10 -1.94 -3.26 117.51 119.71 2wrf h ILE 23 Ca -0.35 -2.44 0.00 0.00 1.08 0.00 0.00 64.86 63.15 2wrf h ILE 23 Cb 1.23 2.33 0.00 0.00 -1.09 0.00 0.00 36.82 39.29 2wrf h ILE 23 CO 0.56 0.71 -0.95 0.18 -1.08 0.00 0.00 178.15 177.57 2wrf n LEU 24 N -3.72 0.63 -3.63 2.19 4.77 -1.26 -4.98 117.00 111.01 2wrf n LEU 24 Ca -0.03 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 2wrf n LEU 24 Cb 0.75 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2wrf n LEU 24 CO 0.46 0.07 0.39 -0.70 -1.33 0.00 0.00 177.39 176.29 2wrf s GLU 25 N -3.15 0.82 0.35 3.23 2.12 -1.23 -5.18 118.70 115.66 2wrf s GLU 25 Ca 0.05 0.92 0.07 0.00 0.36 0.00 0.00 54.97 56.37 2wrf s GLU 25 Cb 0.15 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.93 2wrf s GLU 25 CO 0.79 -0.11 0.43 1.03 -0.54 0.00 0.00 175.26 176.87 2wrf s ARG 26 N 0.28 2.95 -1.74 4.30 1.81 -1.26 -1.35 118.95 123.95 2wrf s ARG 26 Ca -0.01 -1.14 -0.15 0.00 -1.72 0.00 0.00 55.73 52.72 2wrf s ARG 26 Cb -0.05 -2.70 0.14 0.00 -0.45 0.00 0.00 34.95 31.89 2wrf s ARG 26 CO 0.01 0.01 0.43 0.09 -0.68 0.00 0.00 175.30 175.17 2wrf n ASN 27 N -1.60 -1.08 -4.68 0.23 3.02 -1.19 -4.88 115.26 105.08 2wrf n ASN 27 Ca 0.01 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 52.92 2wrf n ASN 27 Cb 0.59 -1.82 -0.03 0.00 -0.61 0.00 0.00 39.78 37.91 2wrf n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wrf s VAL 28 N -3.64 4.08 0.17 2.41 1.01 -0.11 -4.78 120.40 119.53 2wrf s VAL 28 Ca 0.53 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2wrf s VAL 28 Cb -0.30 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2wrf s VAL 28 CO 1.00 -0.05 1.13 -0.89 0.00 0.00 0.00 175.10 176.30 2wrf s THR 29 N 2.79 3.81 0.09 3.92 2.01 -1.26 -1.56 115.64 125.44 2wrf s THR 29 Ca 0.59 1.53 0.04 0.00 0.31 0.00 0.00 61.69 64.16 2wrf s THR 29 Cb -0.26 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2wrf s THR 29 CO 0.21 0.24 -0.12 0.68 -0.69 0.00 0.00 174.62 174.95 2wrf s VAL 30 N -0.07 1.01 0.23 3.82 -7.23 -0.62 -1.60 120.40 115.94 2wrf s VAL 30 Ca 0.51 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 2wrf s VAL 30 Cb -0.30 -1.22 0.20 0.00 0.56 0.00 0.00 36.38 35.63 2wrf s VAL 30 CO 0.35 -0.41 1.89 0.71 -0.31 0.00 0.00 175.10 177.32 2wrf h THR 31 N 3.88 1.17 -2.27 5.32 1.35 -1.34 -3.39 112.91 117.63 2wrf h THR 31 Ca -0.39 -0.38 -0.06 0.00 -0.55 0.00 0.00 66.41 65.04 2wrf h THR 31 Cb 1.19 -0.04 -0.22 0.00 -1.73 0.00 0.00 68.15 67.35 2wrf h THR 31 CO 0.47 0.20 -0.04 -1.00 -0.25 0.00 0.00 175.52 174.90 2wrf s HIS 32 N -6.11 -0.75 0.00 4.73 0.09 -1.26 -4.75 115.29 107.24 2wrf s HIS 32 Ca -0.13 1.69 0.00 0.00 -0.00 0.00 0.00 55.06 56.62 2wrf s HIS 32 Cb 0.17 0.33 0.00 0.00 -0.00 0.00 0.00 32.58 33.08 2wrf s HIS 32 CO 0.79 -0.37 0.00 0.00 -0.00 0.00 0.00 174.74 175.16 2wrf n ALA 33 N 3.34 0.00 -3.64 -1.40 0.00 -1.26 0.54 120.51 118.08 2wrf n ALA 33 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2wrf n ALA 33 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 2wrf n ALA 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2wrf s GLN 34 N -1.48 0.68 -0.26 0.00 0.74 0.15 -4.73 119.66 114.76 2wrf s GLN 34 Ca 0.00 1.24 -0.21 0.00 0.05 0.00 0.00 55.36 56.44 2wrf s GLN 34 Cb 0.00 0.25 -0.01 0.00 1.10 0.00 0.00 33.01 34.35 2wrf s GLN 34 CO 0.00 -0.16 0.67 0.34 -0.55 0.00 0.00 175.29 175.60 2wrf s ASP 35 N 1.83 6.61 0.00 6.67 2.15 -1.26 -0.01 116.67 132.66 2wrf s ASP 35 Ca -0.09 0.72 0.19 0.00 0.43 0.00 0.00 52.55 53.79 2wrf s ASP 35 Cb -0.06 -2.36 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 2wrf s ASP 35 CO -0.20 -0.43 0.99 2.30 -0.17 0.00 0.00 175.17 177.67 2wrf n ILE 36 N 5.26 0.00 -3.56 4.11 -5.35 -0.53 -4.89 119.36 114.39 2wrf n ILE 36 Ca 0.01 -0.36 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 2wrf n ILE 36 Cb 0.49 1.27 -0.11 0.00 -1.74 0.00 0.00 39.64 39.55 2wrf n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wrf s LEU 37 N -2.03 4.91 0.20 7.28 2.96 -1.23 -3.34 118.68 127.41 2wrf s LEU 37 Ca 0.17 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 2wrf s LEU 37 Cb 0.15 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 2wrf s LEU 37 CO 0.40 -0.43 1.32 -0.70 -1.32 0.00 0.00 176.35 175.62 2wrf s GLU 38 N 1.57 4.38 0.00 1.98 2.56 0.87 -4.85 118.70 125.20 2wrf s GLU 38 Ca 0.03 2.07 0.00 0.00 0.00 0.00 0.00 54.97 57.07 2wrf s GLU 38 Cb -0.20 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.74 2wrf s GLU 38 CO 0.07 -0.28 0.21 1.63 -0.56 0.00 0.00 175.26 176.33 2wrf n LYS 39 N 2.71 1.40 -4.46 4.30 5.02 -1.26 -2.77 118.16 123.10 2wrf n LYS 39 Ca 0.07 -0.21 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 2wrf n LYS 39 Cb 0.43 -0.64 -0.14 0.00 -0.02 0.00 0.00 35.03 34.65 2wrf n LYS 39 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wrf s THR 40 N -0.26 1.05 0.11 -0.18 -1.32 -1.26 -4.86 115.64 108.92 2wrf s THR 40 Ca 0.00 -0.77 0.10 0.00 -1.21 0.00 0.00 61.69 59.81 2wrf s THR 40 Cb 0.00 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2wrf s THR 40 CO 0.00 0.14 -0.24 -1.38 -2.21 0.00 0.00 174.62 170.93 2wrf s HIS 41 N -0.58 2.05 0.21 9.09 -3.43 -1.26 -4.70 115.29 116.67 2wrf s HIS 41 Ca 0.03 -0.40 -0.13 0.00 -0.80 0.00 0.00 55.06 53.77 2wrf s HIS 41 Cb -0.06 -1.13 0.25 0.00 -1.43 0.00 0.00 32.58 30.21 2wrf s HIS 41 CO 0.00 0.26 1.31 -1.71 -2.00 0.00 0.00 174.74 172.61 2wrf n ASN 42 N 1.06 -0.49 0.00 7.38 2.85 0.24 -4.86 115.26 121.45 2wrf n ASN 42 Ca -0.19 1.47 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 2wrf n ASN 42 Cb 0.53 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.19 2wrf n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wrf n GLY 43 N -1.43 0.04 3.31 8.20 0.00 -1.26 -4.83 105.19 109.22 2wrf n GLY 43 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2wrf n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrf s LYS 44 N -0.99 1.21 -0.10 1.61 -2.85 -1.26 -4.69 119.74 112.67 2wrf s LYS 44 Ca 0.00 -1.40 -0.17 0.00 -1.00 0.00 0.00 55.97 53.40 2wrf s LYS 44 Cb 0.00 -1.16 -0.05 0.00 -2.06 0.00 0.00 37.83 34.57 2wrf s LYS 44 CO 0.00 0.22 0.45 -0.51 0.10 0.00 0.00 175.35 175.61 2wrf s LEU 45 N -2.75 4.30 0.31 2.77 1.02 -1.26 -2.44 118.68 120.63 2wrf s LEU 45 Ca 0.15 0.81 0.05 0.00 0.02 0.00 0.00 54.13 55.16 2wrf s LEU 45 Cb -0.04 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.49 2wrf s LEU 45 CO 0.06 0.06 0.22 0.00 0.02 0.00 0.00 176.35 176.71 2wrf s LYS 47 N -3.66 1.42 -0.41 0.00 1.02 -1.26 -4.74 119.74 112.10 2wrf s LYS 47 Ca 0.38 1.49 0.02 0.00 0.02 0.00 0.00 55.97 57.89 2wrf s LYS 47 Cb 0.04 -1.78 0.12 0.00 -0.52 0.00 0.00 37.83 35.69 2wrf s LYS 47 CO 0.22 -2.33 0.18 -1.17 -0.92 0.00 0.00 175.35 171.33 2wrf s LEU 48 N -6.29 3.41 -0.39 3.17 2.96 -0.23 -3.30 118.68 118.00 2wrf s LEU 48 Ca 0.66 -2.42 -0.02 0.00 -0.22 0.00 0.00 54.13 52.13 2wrf s LEU 48 Cb -0.22 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.20 2wrf s LEU 48 CO 0.56 -0.31 0.28 0.59 -1.32 0.00 0.00 176.35 176.15 2wrf n ASN 49 N 3.85 -3.10 0.00 3.68 4.13 -1.18 -3.80 115.26 118.83 2wrf n ASN 49 Ca 0.05 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2wrf n ASN 49 Cb 0.37 -1.76 0.00 0.00 -1.54 0.00 0.00 39.78 36.85 2wrf n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wrf n GLY 50 N -0.93 1.24 3.70 7.41 0.00 -1.26 -4.96 105.19 110.39 2wrf n GLY 50 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2wrf n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrf s ILE 51 N -0.06 2.70 0.88 -0.61 -1.09 -1.25 -4.87 121.20 116.91 2wrf s ILE 51 Ca 0.00 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.61 2wrf s ILE 51 Cb 0.00 -3.21 0.13 0.00 -1.58 0.00 0.00 42.46 37.80 2wrf s ILE 51 CO 0.00 0.01 1.19 -2.84 -1.23 0.00 0.00 174.94 172.07 2wrf s PRO 52 N 2.11 1.36 0.58 2.79 0.02 -1.26 -1.07 135.00 139.53 2wrf s PRO 52 Ca 0.75 0.07 -0.04 0.00 0.02 0.00 0.00 61.00 61.79 2wrf s PRO 52 Cb -0.43 -1.88 0.12 0.00 0.02 0.00 0.00 34.50 32.32 2wrf s PRO 52 CO 0.33 -2.00 0.79 -0.35 -0.33 0.00 0.00 177.00 175.43 2wrf n PRO 53 N -3.59 -0.24 -3.61 5.54 -0.05 -1.26 -0.90 135.00 130.88 2wrf n PRO 53 Ca 0.09 -1.77 -0.40 0.00 -0.05 0.00 0.00 63.50 61.37 2wrf n PRO 53 Cb 0.60 -0.64 -0.11 0.00 -0.05 0.00 0.00 33.50 33.30 2wrf n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 2wrf s LEU 54 N 0.00 4.69 -0.11 1.53 2.96 0.79 -4.81 118.68 123.74 2wrf s LEU 54 Ca 0.49 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 2wrf s LEU 54 Cb -0.02 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2wrf s LEU 54 CO 0.33 -0.39 1.05 -1.61 -1.32 0.00 0.00 176.35 174.42 2wrf s GLU 55 N 1.53 4.39 0.00 1.98 2.02 -1.26 -1.23 118.70 126.13 2wrf s GLU 55 Ca 0.01 1.44 0.14 0.00 0.02 0.00 0.00 54.97 56.58 2wrf s GLU 55 Cb -0.19 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 30.40 2wrf s GLU 55 CO 0.06 -0.38 0.67 1.28 0.02 0.00 0.00 175.26 176.91 2wrf n LEU 56 N 5.22 1.02 0.00 1.80 4.77 -0.98 -4.86 117.00 123.97 2wrf n LEU 56 Ca 0.10 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2wrf n LEU 56 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2wrf n LEU 56 CO 0.53 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2wrf n GLY 57 N 1.20 2.81 1.51 -0.72 0.00 -1.26 -0.84 105.19 107.90 2wrf n GLY 57 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2wrf n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrf n ASP 58 N 1.66 3.43 -4.95 1.61 5.68 -1.26 -3.90 116.55 118.81 2wrf n ASP 58 Ca 0.00 -2.73 -0.20 0.00 -0.50 0.00 0.00 54.79 51.36 2wrf n ASP 58 Cb 0.00 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 39.31 2wrf n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wrf s SER 60 N -4.05 4.07 0.33 0.00 1.04 -1.07 -4.49 113.70 109.52 2wrf s SER 60 Ca 0.39 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 56.05 2wrf s SER 60 Cb -0.09 -0.58 0.64 0.00 0.10 0.00 0.00 66.02 66.10 2wrf s SER 60 CO 0.29 0.03 1.93 0.40 0.98 0.00 0.00 173.24 176.87 2wrf h ILE 61 N 2.19 1.02 -0.01 -1.02 2.04 -1.98 0.19 117.51 119.94 2wrf h ILE 61 Ca -0.43 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2wrf h ILE 61 Cb 1.25 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2wrf h ILE 61 CO 0.59 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.91 2wrf h ALA 62 N 1.56 0.02 -0.68 1.87 0.00 -1.94 -1.72 119.26 118.36 2wrf h ALA 62 Ca 0.37 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2wrf h ALA 62 Cb 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2wrf h ALA 62 CO -0.14 -0.39 0.36 0.78 0.00 0.00 0.00 179.25 179.87 2wrf h GLY 63 N -0.17 1.01 0.96 0.00 0.00 -1.33 -0.19 103.07 103.34 2wrf h GLY 63 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2wrf h GLY 63 CO -0.00 0.11 -0.36 -0.25 0.00 0.00 0.00 176.54 176.04 2wrf h TRP 64 N 0.64 -0.94 -0.25 5.60 7.01 -0.61 -0.57 115.95 126.83 2wrf h TRP 64 Ca 0.32 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.21 2wrf h TRP 64 Cb 0.27 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 2wrf h TRP 64 CO -0.09 -0.57 -0.21 -0.07 -2.79 0.00 0.00 178.44 174.71 2wrf h LEU 65 N -1.07 0.45 -0.38 0.65 3.38 -1.15 -2.46 115.31 114.73 2wrf h LEU 65 Ca -0.10 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.54 2wrf h LEU 65 Cb 0.79 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2wrf h LEU 65 CO 0.17 0.67 -0.79 -0.07 0.09 0.00 0.00 178.44 178.51 2wrf h LEU 66 N 0.41 0.31 0.00 1.67 3.38 -1.08 -3.45 115.31 116.56 2wrf h LEU 66 Ca 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wrf h LEU 66 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2wrf h LEU 66 CO 0.04 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.16 2wrf n GLY 67 N 0.68 1.47 3.08 0.83 0.00 -0.33 -2.04 105.19 108.89 2wrf n GLY 67 Ca -0.04 -0.18 -0.54 0.00 0.00 0.00 0.00 46.02 45.26 2wrf n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wrf n ASN 68 N 0.38 0.49 0.25 1.61 2.85 -0.57 -1.23 115.26 119.04 2wrf n ASN 68 Ca 0.00 1.00 0.13 0.00 -0.11 0.00 0.00 54.58 55.60 2wrf n ASN 68 Cb 0.07 -0.77 0.68 0.00 1.24 0.00 0.00 39.78 41.00 2wrf n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wrf h PRO 69 N 3.37 0.00 0.00 1.20 0.11 -1.90 0.47 132.00 135.25 2wrf h PRO 69 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wrf h PRO 69 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wrf h PRO 69 CO 0.69 0.00 -0.24 -1.91 -0.21 0.00 0.00 178.00 176.33 2wrf n GLU 70 N -2.53 0.13 -0.16 1.05 4.07 -1.26 -3.25 120.64 118.69 2wrf n GLU 70 Ca -0.02 0.08 0.11 0.00 -0.06 0.00 0.00 57.16 57.27 2wrf n GLU 70 Cb 0.26 -1.62 0.19 0.00 -0.06 0.00 0.00 31.44 30.21 2wrf n GLU 70 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wrf h ASP 72 N 4.23 -0.30 0.00 0.00 3.45 -1.55 -3.19 116.42 119.05 2wrf h ASP 72 Ca 0.00 0.16 -0.54 0.00 0.43 0.00 0.00 57.03 57.08 2wrf h ASP 72 Cb 0.94 0.29 0.02 0.00 -0.56 0.00 0.00 39.33 40.02 2wrf h ASP 72 CO 0.00 -0.13 2.93 -2.11 -1.57 0.00 0.00 179.24 178.36 2wrf n ARG 73 N -5.30 2.46 -4.88 3.56 0.00 -1.26 -4.86 116.66 106.38 2wrf n ARG 73 Ca 0.10 -1.86 -0.26 0.00 -0.00 0.00 0.00 57.85 55.83 2wrf n ARG 73 Cb 0.38 -2.73 -0.15 0.00 -0.00 0.00 0.00 32.46 29.95 2wrf n ARG 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2wrf s LEU 74 N 0.60 2.08 -0.25 2.89 1.43 -1.21 -5.12 118.68 119.09 2wrf s LEU 74 Ca 0.51 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2wrf s LEU 74 Cb 0.13 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 2wrf s LEU 74 CO -0.02 0.22 0.05 -1.48 0.23 0.00 0.00 176.35 175.35 2wrf s LEU 75 N -0.67 3.43 -0.75 1.79 0.05 -1.26 -5.06 118.68 116.21 2wrf s LEU 75 Ca 0.08 -0.36 0.01 0.00 0.05 0.00 0.00 54.13 53.90 2wrf s LEU 75 Cb -0.08 -1.88 0.18 0.00 -2.05 0.00 0.00 46.19 42.37 2wrf s LEU 75 CO -0.00 -0.07 0.58 0.42 -0.55 0.00 0.00 176.35 176.73 2wrf s THR 76 N 1.56 3.63 -0.22 5.48 -4.23 -1.26 -4.81 115.64 115.79 2wrf s THR 76 Ca 0.05 -3.77 -0.37 0.00 -1.18 0.00 0.00 61.69 56.43 2wrf s THR 76 Cb -0.15 -3.33 -0.13 0.00 1.34 0.00 0.00 72.50 70.23 2wrf s THR 76 CO 0.02 -1.00 1.89 0.55 -0.54 0.00 0.00 174.62 175.54 2wrf n VAL 77 N 2.52 0.40 0.22 2.29 3.14 -1.26 -4.75 118.33 120.89 2wrf n VAL 77 Ca 0.17 -0.11 0.07 0.00 -2.96 0.00 0.00 64.34 61.50 2wrf n VAL 77 Cb 0.36 -1.57 0.36 0.00 -1.06 0.00 0.00 33.84 31.92 2wrf n VAL 77 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wrf h PRO 78 N 9.02 0.00 -4.14 1.45 0.11 -1.97 -3.36 132.00 133.11 2wrf h PRO 78 Ca -0.44 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.23 2wrf h PRO 78 Cb 1.30 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.07 2wrf h PRO 78 CO 0.97 0.00 -0.78 -2.00 -0.21 0.00 0.00 178.00 175.97 2wrf s GLU 79 N -3.50 1.08 0.18 1.05 2.12 -1.26 0.38 118.70 118.75 2wrf s GLU 79 Ca -0.01 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2wrf s GLU 79 Cb 0.04 -1.05 -0.05 0.00 0.26 0.00 0.00 34.13 33.33 2wrf s GLU 79 CO 0.12 -0.09 -0.05 1.67 -0.54 0.00 0.00 175.26 176.37 2wrf s TRP 80 N 1.01 1.34 -0.26 5.30 -2.14 -1.25 -4.67 118.94 118.27 2wrf s TRP 80 Ca -0.09 -0.86 -0.02 0.00 2.66 0.00 0.00 56.10 57.79 2wrf s TRP 80 Cb -0.14 -0.74 -0.16 0.00 -3.10 0.00 0.00 33.47 29.33 2wrf s TRP 80 CO -0.00 -0.02 -0.23 -1.13 -2.66 0.00 0.00 176.95 172.91 2wrf n SER 81 N -0.28 1.98 -4.19 -2.66 3.41 -0.08 -3.88 113.62 107.93 2wrf n SER 81 Ca -0.08 -0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.39 2wrf n SER 81 Cb 0.62 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2wrf n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wrf s TYR 82 N -2.52 1.05 -0.09 7.33 -0.85 -1.26 -4.62 117.35 116.40 2wrf s TYR 82 Ca -0.35 -1.29 0.02 0.00 -0.52 0.00 0.00 57.07 54.93 2wrf s TYR 82 Cb 0.10 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 2wrf s TYR 82 CO 0.59 -0.55 -0.16 0.42 -1.52 0.00 0.00 175.55 174.32 2wrf s ILE 83 N -4.07 2.80 -0.35 -3.49 1.01 -1.14 -0.15 121.20 115.81 2wrf s ILE 83 Ca 0.32 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 2wrf s ILE 83 Cb 0.07 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2wrf s ILE 83 CO 0.07 0.55 0.20 -0.04 0.00 0.00 0.00 174.94 175.73 2wrf s MET 84 N -0.05 3.05 -0.05 2.79 -1.94 -0.36 -0.08 119.30 122.66 2wrf s MET 84 Ca -0.04 -0.93 0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2wrf s MET 84 Cb -0.14 -3.71 -0.01 0.00 2.01 0.00 0.00 34.83 32.99 2wrf s MET 84 CO 0.04 -0.60 -0.20 -2.00 -0.01 0.00 0.00 175.02 172.26 2wrf s GLU 85 N 1.60 2.07 0.98 2.03 2.12 -0.79 -2.33 118.70 124.37 2wrf s GLU 85 Ca 0.03 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.53 2wrf s GLU 85 Cb -0.18 -1.78 0.14 0.00 0.26 0.00 0.00 34.13 32.57 2wrf s GLU 85 CO 0.07 0.29 0.87 1.63 -0.54 0.00 0.00 175.26 177.58 2wrf n LYS 86 N 3.08 -0.77 0.16 4.30 4.01 -1.24 -2.88 118.16 124.83 2wrf n LYS 86 Ca -0.18 -0.17 -0.14 0.00 -0.51 0.00 0.00 58.31 57.31 2wrf n LYS 86 Cb 0.53 -2.17 -0.08 0.00 -0.51 0.00 0.00 35.03 32.79 2wrf n LYS 86 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2wrf h GLU 87 N -1.94 -0.38 -2.96 1.97 4.57 -1.90 -3.38 114.58 110.57 2wrf h GLU 87 Ca -0.46 0.03 -0.61 0.00 -1.18 0.00 0.00 59.36 57.13 2wrf h GLU 87 Cb 1.29 0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 29.56 2wrf h GLU 87 CO 0.40 -0.14 -0.71 -0.80 -1.18 0.00 0.00 179.01 176.58 2wrf s ASN 88 N -4.99 3.71 0.55 1.04 -0.87 -1.26 -5.12 114.94 108.01 2wrf s ASN 88 Ca -0.15 -3.15 -0.20 0.00 -1.57 0.00 0.00 52.86 47.79 2wrf s ASN 88 Cb 0.03 -1.20 -0.07 0.00 -0.02 0.00 0.00 41.25 40.00 2wrf s ASN 88 CO 0.61 -0.19 0.97 -2.65 -2.57 0.00 0.00 177.10 173.27 2wrf n PRO 89 N 2.86 1.06 0.10 -0.60 -0.02 -1.26 -4.93 135.00 132.20 2wrf n PRO 89 Ca 0.15 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 2wrf n PRO 89 Cb 0.37 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 2wrf n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrf h ARG 90 N 0.83 0.60 -4.05 -0.52 3.08 -1.75 -3.42 114.38 109.14 2wrf h ARG 90 Ca -0.47 -0.83 -0.77 0.00 0.07 0.00 0.00 59.98 57.97 2wrf h ARG 90 Cb 1.35 0.28 -0.24 0.00 0.08 0.00 0.00 29.97 31.45 2wrf h ARG 90 CO 0.53 1.38 0.63 -0.80 -1.07 0.00 0.00 179.97 180.63 2wrf s ASN 91 N -7.42 7.08 0.00 7.04 0.02 -0.80 -4.92 114.94 115.94 2wrf s ASN 91 Ca -0.10 -3.11 0.00 0.00 -1.02 0.00 0.00 52.86 48.63 2wrf s ASN 91 Cb 0.05 -2.27 0.00 0.00 0.02 0.00 0.00 41.25 39.05 2wrf s ASN 91 CO 0.93 -0.53 0.00 0.61 0.02 0.00 0.00 177.10 178.13 2wrf n GLY 92 N 3.57 0.85 3.60 0.66 0.00 -1.26 -2.61 105.19 109.99 2wrf n GLY 92 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2wrf n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrf s LEU 93 N 0.00 3.56 0.05 0.99 1.43 -1.26 -4.07 118.68 119.38 2wrf s LEU 93 Ca 0.00 0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 2wrf s LEU 93 Cb 0.00 -3.47 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 2wrf s LEU 93 CO 0.00 -1.45 1.36 0.00 0.23 0.00 0.00 176.35 176.50 2wrf s TYR 95 N -4.36 3.42 0.82 0.00 5.04 -1.26 -4.56 117.35 116.45 2wrf s TYR 95 Ca -0.14 1.51 -0.14 0.00 -2.44 0.00 0.00 57.07 55.87 2wrf s TYR 95 Cb 0.06 -3.24 0.05 0.00 0.35 0.00 0.00 41.96 39.18 2wrf s TYR 95 CO 0.76 -0.44 0.92 -2.30 -1.34 0.00 0.00 175.55 173.15 2wrf n PRO 96 N 5.39 0.09 0.00 4.97 -0.02 -1.26 -4.71 135.00 139.46 2wrf n PRO 96 Ca 0.10 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2wrf n PRO 96 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2wrf n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrf n GLY 97 N 0.93 -0.42 3.26 -1.23 0.00 -1.26 -1.00 105.19 105.47 2wrf n GLY 97 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 2wrf n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wrf s SER 98 N -4.00 0.15 -0.10 1.61 1.04 -0.90 -4.90 113.70 106.60 2wrf s SER 98 Ca 0.00 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.45 2wrf s SER 98 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2wrf s SER 98 CO 0.00 -0.83 -0.11 0.12 0.98 0.00 0.00 173.24 173.40 2wrf s PHE 99 N -4.00 1.60 0.02 5.02 2.19 -1.26 -0.68 117.98 120.87 2wrf s PHE 99 Ca 0.19 -0.72 -0.25 0.00 0.33 0.00 0.00 56.93 56.48 2wrf s PHE 99 Cb 0.05 -1.22 -0.05 0.00 -1.31 0.00 0.00 43.02 40.49 2wrf s PHE 99 CO 0.00 -0.42 0.79 -0.80 1.83 0.00 0.00 175.22 176.62 2wrf s ASN 100 N 1.14 7.19 -1.39 6.13 0.01 0.08 -3.77 114.94 124.34 2wrf s ASN 100 Ca -0.05 1.43 -0.07 0.00 -0.71 0.00 0.00 52.86 53.47 2wrf s ASN 100 Cb -0.14 -2.47 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2wrf s ASN 100 CO -0.02 -0.05 0.92 0.47 -1.51 0.00 0.00 177.10 176.90 2wrf n ASP 101 N 3.16 -3.45 -0.07 -1.22 8.00 -1.26 -4.63 116.55 117.07 2wrf n ASP 101 Ca -0.01 -0.74 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 2wrf n ASP 101 Cb 0.50 -4.28 -0.04 0.00 -0.02 0.00 0.00 41.12 37.29 2wrf n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wrf h TYR 102 N -2.09 0.36 -0.29 1.24 3.20 -1.97 -2.19 116.97 115.22 2wrf h TYR 102 Ca -0.59 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.23 2wrf h TYR 102 Cb 1.36 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2wrf h TYR 102 CO 0.51 0.43 0.13 0.93 -1.64 0.00 0.00 178.16 178.52 2wrf h GLU 103 N 0.19 0.42 -0.11 1.82 3.07 -1.91 0.26 114.58 118.33 2wrf h GLU 103 Ca 0.07 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2wrf h GLU 103 Cb 0.24 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2wrf h GLU 103 CO -0.00 0.42 0.10 0.93 -1.40 0.00 0.00 179.01 179.05 2wrf h GLU 104 N 0.33 0.00 0.16 2.33 4.39 -1.90 0.28 114.58 120.17 2wrf h GLU 104 Ca 0.10 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 2wrf h GLU 104 Cb 0.14 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2wrf h GLU 104 CO -0.01 0.00 -0.93 1.25 -1.16 0.00 0.00 179.01 178.16 2wrf h LEU 105 N 0.00 0.54 -0.40 1.33 5.85 -0.62 -2.05 115.31 119.96 2wrf h LEU 105 Ca 0.05 -0.95 0.08 0.00 0.84 0.00 0.00 57.88 57.91 2wrf h LEU 105 Cb 0.24 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2wrf h LEU 105 CO -0.00 1.45 -0.15 0.11 -0.34 0.00 0.00 178.44 179.51 2wrf h LYS 106 N -0.27 -0.07 -0.14 1.25 1.57 0.87 -0.59 116.57 119.19 2wrf h LYS 106 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2wrf h LYS 106 Cb 1.74 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2wrf h LYS 106 CO 0.18 -0.04 0.09 1.25 -0.57 0.00 0.00 179.45 180.35 2wrf h HIS 107 N -0.07 0.18 -0.40 -1.35 2.76 -0.61 -2.68 115.15 112.99 2wrf h HIS 107 Ca 0.20 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.45 2wrf h HIS 107 Cb 0.37 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 2wrf h HIS 107 CO -0.40 0.13 -0.04 1.25 -1.30 0.00 0.00 177.93 177.57 2wrf h LEU 108 N 0.18 -0.24 -2.84 0.26 5.85 -0.91 -1.50 115.31 116.11 2wrf h LEU 108 Ca 0.05 0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.66 2wrf h LEU 108 Cb -0.00 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.10 2wrf h LEU 108 CO -0.01 -0.08 0.27 2.30 -0.34 0.00 0.00 178.44 180.58 2wrf n ILE 109 N -5.24 1.94 0.12 4.05 -5.35 -0.27 -4.31 119.36 110.30 2wrf n ILE 109 Ca 0.02 -0.81 -0.13 0.00 -0.27 0.00 0.00 62.75 61.56 2wrf n ILE 109 Cb 0.21 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.23 2wrf n ILE 109 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2wrf h SER 110 N 0.47 -0.78 -4.35 7.28 0.02 -0.94 -3.44 113.55 111.81 2wrf h SER 110 Ca 0.26 0.09 -0.39 0.00 -0.84 0.00 0.00 61.79 60.90 2wrf h SER 110 Cb 1.70 0.29 -0.25 0.00 0.14 0.00 0.00 62.40 64.29 2wrf h SER 110 CO 0.46 -0.37 -0.77 -0.94 -1.14 0.00 0.00 176.83 174.06 2wrf s SER 111 N -4.79 1.32 0.12 3.07 1.04 -1.26 -4.36 113.70 108.84 2wrf s SER 111 Ca -0.16 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 2wrf s SER 111 Cb 0.08 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2wrf s SER 111 CO 0.65 -0.01 0.02 0.68 0.98 0.00 0.00 173.24 175.55 2wrf s VAL 112 N -0.84 0.32 0.00 5.02 -7.23 -1.25 -4.72 120.40 111.70 2wrf s VAL 112 Ca -0.01 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2wrf s VAL 112 Cb -0.07 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2wrf s VAL 112 CO 0.01 -0.60 0.00 1.07 -0.31 0.00 0.00 175.10 175.27 2wrf n THR 113 N -0.09 0.00 -2.76 5.32 5.66 0.46 -3.91 114.28 118.96 2wrf n THR 113 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2wrf n THR 113 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 2wrf n THR 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wrf n HIS 114 N 0.00 -0.05 -3.38 1.09 -0.00 -1.23 -4.59 115.22 107.06 2wrf n HIS 114 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2wrf n HIS 114 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2wrf n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wrf s PHE 115 N 1.20 -0.67 -0.04 -1.40 5.36 0.16 -3.41 117.98 119.17 2wrf s PHE 115 Ca 0.00 0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.35 2wrf s PHE 115 Cb 0.00 -0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.49 2wrf s PHE 115 CO 0.00 -0.81 -0.07 -2.00 -1.46 0.00 0.00 175.22 170.88 2wrf s GLU 116 N 2.46 1.06 0.08 10.12 2.12 -0.50 -4.51 118.70 129.52 2wrf s GLU 116 Ca 0.10 -0.22 -0.27 0.00 0.36 0.00 0.00 54.97 54.95 2wrf s GLU 116 Cb -0.14 -0.97 -0.06 0.00 0.26 0.00 0.00 34.13 33.21 2wrf s GLU 116 CO -0.23 -0.01 0.83 0.21 -0.54 0.00 0.00 175.26 175.52 2wrf s LYS 117 N 0.69 4.57 0.01 4.30 2.20 -1.26 0.22 119.74 130.47 2wrf s LYS 117 Ca -0.11 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 56.74 2wrf s LYS 117 Cb -0.14 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2wrf s LYS 117 CO 0.01 0.29 -0.11 0.14 -0.36 0.00 0.00 175.35 175.33 2wrf s VAL 118 N -0.16 0.85 -0.11 4.02 -7.23 -0.46 -4.93 120.40 112.38 2wrf s VAL 118 Ca 0.41 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 2wrf s VAL 118 Cb -0.22 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 2wrf s VAL 118 CO 0.26 0.13 1.28 -0.75 -0.31 0.00 0.00 175.10 175.71 2wrf s LYS 119 N -0.54 4.27 -0.07 4.82 2.20 -1.26 -0.09 119.74 129.06 2wrf s LYS 119 Ca 0.02 1.73 0.06 0.00 -0.36 0.00 0.00 55.97 57.42 2wrf s LYS 119 Cb -0.05 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 2wrf s LYS 119 CO 0.00 -0.63 0.02 0.44 -0.36 0.00 0.00 175.35 174.81 2wrf n ILE 120 N 5.11 0.47 -3.33 5.43 -5.35 0.01 -4.82 119.36 116.88 2wrf n ILE 120 Ca 0.13 -0.29 -0.26 0.00 -0.27 0.00 0.00 62.75 62.07 2wrf n ILE 120 Cb 0.45 -0.82 -0.08 0.00 -1.74 0.00 0.00 39.64 37.45 2wrf n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wrf n LEU 121 N -2.28 0.75 -3.63 7.28 4.77 -0.93 -4.79 117.00 118.16 2wrf n LEU 121 Ca -0.11 -4.76 -0.46 0.00 -0.03 0.00 0.00 56.01 50.65 2wrf n LEU 121 Cb 0.72 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 42.07 2wrf n LEU 121 CO 0.14 1.99 0.35 -2.65 -1.33 0.00 0.00 177.39 175.89 2wrf n PRO 122 N 1.75 0.00 -0.34 3.23 -0.02 -1.26 -4.54 135.00 133.82 2wrf n PRO 122 Ca 0.25 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 2wrf n PRO 122 Cb 0.48 -1.12 0.28 0.00 -0.02 0.00 0.00 33.50 33.13 2wrf n PRO 122 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wrf h LYS 123 N 2.04 0.89 -0.25 -0.52 3.64 -1.94 -2.36 116.57 118.07 2wrf h LYS 123 Ca -0.37 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2wrf h LYS 123 Cb 1.16 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2wrf h LYS 123 CO 0.51 0.59 0.00 -0.40 -2.27 0.00 0.00 179.45 177.88 2wrf n ASP 124 N -4.60 1.59 -0.93 4.20 3.85 -1.26 -3.68 116.55 115.71 2wrf n ASP 124 Ca 0.19 -1.87 0.09 0.00 -0.71 0.00 0.00 54.79 52.48 2wrf n ASP 124 Cb 0.38 -0.16 0.24 0.00 -1.35 0.00 0.00 41.12 40.23 2wrf n ASP 124 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 2wrf n ARG 125 N 0.33 2.18 -2.45 0.11 0.63 -0.89 -4.33 116.66 112.23 2wrf n ARG 125 Ca 0.13 -1.82 -0.40 0.00 -0.92 0.00 0.00 57.85 54.83 2wrf n ARG 125 Cb 0.28 -1.41 0.02 0.00 0.45 0.00 0.00 32.46 31.80 2wrf n ARG 125 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2wrf n TRP 126 N 0.99 2.88 0.22 -0.14 7.02 -1.24 -4.85 117.44 122.32 2wrf n TRP 126 Ca 0.17 -2.55 0.07 0.00 -1.02 0.00 0.00 57.50 54.17 2wrf n TRP 126 Cb 0.44 -1.16 0.58 0.00 -2.42 0.00 0.00 31.31 28.75 2wrf n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wrf h THR 127 N 2.19 1.05 -0.02 -0.99 1.35 -1.92 -1.23 112.91 113.34 2wrf h THR 127 Ca 0.53 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 2wrf h THR 127 Cb 0.25 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2wrf h THR 127 CO 1.23 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 176.56 2wrf n GLN 128 N -4.48 1.18 -4.14 4.72 6.02 -1.26 -4.86 117.38 114.56 2wrf n GLN 128 Ca -0.02 -0.27 -0.10 0.00 -0.01 0.00 0.00 57.00 56.60 2wrf n GLN 128 Cb 0.13 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 2wrf n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wrf s HIS 129 N -1.98 0.77 -0.09 1.08 3.76 -0.46 -4.37 115.29 114.00 2wrf s HIS 129 Ca 0.39 -0.93 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 2wrf s HIS 129 Cb 0.19 -0.47 -0.02 0.00 1.11 0.00 0.00 32.58 33.39 2wrf s HIS 129 CO 0.31 -0.21 0.99 0.99 -0.85 0.00 0.00 174.74 175.97 2wrf s THR 130 N -3.58 4.81 -0.48 1.30 2.01 -0.34 -4.90 115.64 114.47 2wrf s THR 130 Ca 0.09 2.02 0.07 0.00 0.31 0.00 0.00 61.69 64.18 2wrf s THR 130 Cb 0.05 -4.30 0.38 0.00 0.01 0.00 0.00 72.50 68.64 2wrf s THR 130 CO -0.06 0.04 0.99 0.35 -0.69 0.00 0.00 174.62 175.26 2wrf n THR 131 N 4.41 2.28 -0.42 -0.82 -2.24 -1.26 -0.76 114.28 115.47 2wrf n THR 131 Ca 0.08 -4.99 0.00 0.00 -2.27 0.00 0.00 64.05 56.87 2wrf n THR 131 Cb 0.49 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2wrf n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wrf n THR 132 N -0.27 0.00 -1.79 4.28 -2.24 -1.26 -4.85 114.28 108.15 2wrf n THR 132 Ca 0.31 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.67 2wrf n THR 132 Cb 0.57 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 70.12 2wrf n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wrf s GLY 133 N 0.00 1.34 0.00 3.38 0.00 -1.26 -4.99 107.32 105.79 2wrf s GLY 133 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2wrf s GLY 133 CO 0.00 2.88 0.00 0.61 0.00 0.00 0.00 173.10 176.59 2wrf n GLY 134 N 3.98 5.40 3.56 0.20 0.00 -1.26 -4.65 105.19 112.42 2wrf n GLY 134 Ca 0.16 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 2wrf n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wrf s SER 135 N 1.00 -0.23 0.43 1.61 0.15 0.30 -4.74 113.70 112.23 2wrf s SER 135 Ca 0.00 -0.00 0.12 0.00 0.70 0.00 0.00 55.95 56.77 2wrf s SER 135 Cb 0.00 0.24 0.95 0.00 -1.71 0.00 0.00 66.02 65.50 2wrf s SER 135 CO 0.00 -0.39 2.00 1.56 1.20 0.00 0.00 173.24 177.60 2wrf h GLN 136 N 2.00 0.15 -0.72 5.44 7.50 -1.90 -2.39 115.11 125.18 2wrf h GLN 136 Ca -0.14 -0.02 0.15 0.00 0.50 0.00 0.00 58.65 59.13 2wrf h GLN 136 Cb 1.20 -0.02 -0.10 0.00 0.05 0.00 0.00 27.48 28.60 2wrf h GLN 136 CO 0.26 0.24 0.21 0.78 -1.50 0.00 0.00 178.83 178.82 2wrf h GLY 137 N 0.53 1.02 -4.49 3.46 0.00 -1.86 -1.97 103.07 99.75 2wrf h GLY 137 Ca 0.03 -0.07 -0.68 0.00 0.00 0.00 0.00 47.33 46.61 2wrf h GLY 137 CO 0.01 -0.15 0.41 0.00 0.00 0.00 0.00 176.54 176.81 2wrf s ALA 139 N -3.84 3.53 0.00 0.00 0.00 -0.74 -2.93 121.76 117.77 2wrf s ALA 139 Ca 0.54 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2wrf s ALA 139 Cb 0.45 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2wrf s ALA 139 CO -0.21 -0.65 0.00 0.28 0.00 0.00 0.00 175.76 175.18 2wrf n VAL 140 N 1.34 0.00 -1.74 0.00 0.31 -0.86 -4.84 118.33 112.54 2wrf n VAL 140 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2wrf n VAL 140 Cb 0.42 -0.75 0.16 0.00 -0.91 0.00 0.00 33.84 32.75 2wrf n VAL 140 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wrf n PHE 141 N -0.79 0.68 -3.90 3.52 3.72 -1.26 -4.61 117.46 114.82 2wrf n PHE 141 Ca 0.00 -1.65 -0.29 0.00 -0.05 0.00 0.00 57.45 55.46 2wrf n PHE 141 Cb 0.00 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.14 2wrf n PHE 141 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wrf s ASP 142 N -3.29 4.29 0.16 4.37 -0.00 -1.26 -5.16 116.67 115.78 2wrf s ASP 142 Ca 0.41 -3.16 0.04 0.00 -0.00 0.00 0.00 52.55 49.84 2wrf s ASP 142 Cb 0.38 -1.54 -0.04 0.00 -0.00 0.00 0.00 42.92 41.72 2wrf s ASP 142 CO -0.05 -0.20 0.19 0.20 -0.00 0.00 0.00 175.17 175.32 2wrf s ASN 143 N -0.47 5.82 -0.21 0.27 0.02 -1.26 -4.97 114.94 114.14 2wrf s ASN 143 Ca 0.19 -0.03 -0.39 0.00 -1.02 0.00 0.00 52.86 51.61 2wrf s ASN 143 Cb -0.20 -1.61 -0.16 0.00 0.02 0.00 0.00 41.25 39.30 2wrf s ASN 143 CO -0.04 0.06 1.67 -2.65 0.02 0.00 0.00 177.10 176.16 2wrf n PRO 144 N -0.47 1.18 -1.91 -0.60 -0.02 -1.26 -2.04 135.00 129.89 2wrf n PRO 144 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2wrf n PRO 144 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2wrf n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wrf n SER 145 N 4.87 0.29 -3.94 2.55 2.88 -1.04 -4.38 113.62 114.86 2wrf n SER 145 Ca 0.25 -0.95 -0.08 0.00 -1.33 0.00 0.00 58.87 56.75 2wrf n SER 145 Cb 0.14 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 2wrf n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wrf s PHE 146 N -1.80 0.14 -0.14 0.66 5.36 -1.26 -0.54 117.98 120.40 2wrf s PHE 146 Ca 0.00 -0.54 -0.33 0.00 -0.96 0.00 0.00 56.93 55.10 2wrf s PHE 146 Cb 0.00 0.40 -0.10 0.00 -0.34 0.00 0.00 43.02 42.98 2wrf s PHE 146 CO 0.00 -1.09 1.99 1.19 -1.46 0.00 0.00 175.22 175.85 2wrf n PHE 147 N -0.41 2.18 -0.23 10.12 3.72 -1.26 -4.54 117.46 127.03 2wrf n PHE 147 Ca -0.03 -0.01 0.28 0.00 -0.05 0.00 0.00 57.45 57.65 2wrf n PHE 147 Cb 0.61 -2.67 0.68 0.00 -0.94 0.00 0.00 39.48 37.17 2wrf n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wrf h ARG 148 N 10.70 0.08 -0.01 -1.08 2.47 -1.23 -0.00 114.38 125.31 2wrf h ARG 148 Ca -0.44 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2wrf h ARG 148 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2wrf h ARG 148 CO 0.96 0.06 -0.30 0.09 0.56 0.00 0.00 179.97 181.33 2wrf n ASN 149 N -4.31 1.12 -4.54 7.04 3.02 -0.86 -4.93 115.26 111.80 2wrf n ASN 149 Ca 0.21 -0.94 -0.24 0.00 -0.03 0.00 0.00 54.58 53.58 2wrf n ASN 149 Cb 0.99 0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 40.26 2wrf n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wrf s MET 150 N -2.53 1.92 -0.19 3.52 -1.94 -0.02 -1.21 119.30 118.85 2wrf s MET 150 Ca 0.23 -1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 52.63 2wrf s MET 150 Cb 0.19 -1.95 0.05 0.00 2.01 0.00 0.00 34.83 35.13 2wrf s MET 150 CO 0.54 0.36 -0.06 0.08 -0.01 0.00 0.00 175.02 175.93 2wrf s VAL 151 N -2.29 1.29 -0.83 -6.03 1.01 -0.24 -4.72 120.40 108.60 2wrf s VAL 151 Ca 0.29 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 2wrf s VAL 151 Cb -0.06 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.88 2wrf s VAL 151 CO 0.16 0.05 1.24 0.86 0.00 0.00 0.00 175.10 177.42 2wrf s TRP 152 N 1.53 2.53 -0.08 5.22 -0.11 -1.26 -2.60 118.94 124.18 2wrf s TRP 152 Ca -0.02 -0.54 -0.30 0.00 1.22 0.00 0.00 56.10 56.47 2wrf s TRP 152 Cb -0.17 -4.54 -0.03 0.00 -1.50 0.00 0.00 33.47 27.24 2wrf s TRP 152 CO -0.07 -1.88 1.26 -0.51 -4.62 0.00 0.00 176.95 171.13 2wrf s LEU 153 N 4.80 4.26 0.31 5.86 1.43 -1.24 -4.21 118.68 129.89 2wrf s LEU 153 Ca 0.35 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.37 2wrf s LEU 153 Cb -0.07 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2wrf s LEU 153 CO 0.04 -0.67 -0.08 0.42 0.23 0.00 0.00 176.35 176.29 2wrf s THR 154 N 2.69 1.94 0.36 5.49 -4.23 0.06 -4.66 115.64 117.29 2wrf s THR 154 Ca 0.57 -2.17 -0.28 0.00 -1.18 0.00 0.00 61.69 58.63 2wrf s THR 154 Cb -0.25 -2.55 -0.11 0.00 1.34 0.00 0.00 72.50 70.94 2wrf s THR 154 CO 0.21 -0.25 1.43 -1.59 -0.54 0.00 0.00 174.62 173.87 2wrf s LYS 155 N -3.67 4.19 -0.26 3.99 -2.85 0.02 -1.19 119.74 119.98 2wrf s LYS 155 Ca 0.31 2.45 -0.15 0.00 -1.00 0.00 0.00 55.97 57.58 2wrf s LYS 155 Cb 0.03 -3.00 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 2wrf s LYS 155 CO 0.14 -0.42 0.37 0.21 0.10 0.00 0.00 175.35 175.75 2wrf s LYS 156 N -1.95 4.05 2.72 1.78 2.20 -0.58 -4.39 119.74 123.56 2wrf s LYS 156 Ca 0.52 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 2wrf s LYS 156 Cb -0.44 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2wrf s LYS 156 CO 0.59 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 2wrf n GLY 157 N 4.52 0.65 2.77 5.54 0.00 -1.26 -0.96 105.19 116.45 2wrf n GLY 157 Ca -0.08 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 2wrf n GLY 157 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrf n SER 158 N 5.14 0.49 -3.65 1.61 7.64 -1.26 -5.08 113.62 118.52 2wrf n SER 158 Ca 0.00 -2.15 -0.21 0.00 1.01 0.00 0.00 58.87 57.52 2wrf n SER 158 Cb 0.00 -0.07 -0.17 0.00 -1.01 0.00 0.00 64.21 62.96 2wrf n SER 158 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2wrf s ASN 159 N -2.83 1.36 -0.84 6.43 3.04 -0.13 -5.01 114.94 116.95 2wrf s ASN 159 Ca 0.21 -0.05 -0.11 0.00 0.04 0.00 0.00 52.86 52.95 2wrf s ASN 159 Cb 0.37 -0.08 0.22 0.00 -1.54 0.00 0.00 41.25 40.23 2wrf s ASN 159 CO -0.06 -0.27 0.77 -0.47 -3.04 0.00 0.00 177.10 174.03 2wrf s TYR 160 N 2.19 3.79 0.87 0.43 5.04 -1.26 -1.53 117.35 126.88 2wrf s TYR 160 Ca 0.04 -2.23 -0.11 0.00 -2.44 0.00 0.00 57.07 52.33 2wrf s TYR 160 Cb -0.13 -3.72 0.12 0.00 0.35 0.00 0.00 41.96 38.58 2wrf s TYR 160 CO -0.05 -0.95 1.10 -2.14 -1.34 0.00 0.00 175.55 172.17 2wrf s PRO 161 N -0.14 1.44 -0.22 4.97 0.02 -1.26 -4.84 135.00 134.98 2wrf s PRO 161 Ca 0.20 1.17 -0.38 0.00 0.02 0.00 0.00 61.00 62.00 2wrf s PRO 161 Cb -0.11 -1.80 -0.15 0.00 0.02 0.00 0.00 34.50 32.46 2wrf s PRO 161 CO -0.08 -2.22 1.77 0.28 -0.33 0.00 0.00 177.00 176.42 2wrf n VAL 162 N -3.91 0.37 -2.97 3.83 0.31 -1.26 -4.80 118.33 109.90 2wrf n VAL 162 Ca 0.09 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 2wrf n VAL 162 Cb 0.53 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.03 2wrf n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrf s ALA 163 N 3.59 3.46 -0.04 3.52 0.00 0.15 -4.94 121.76 127.50 2wrf s ALA 163 Ca 0.96 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2wrf s ALA 163 Cb -0.96 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.07 2wrf s ALA 163 CO 0.61 -0.46 -0.04 0.15 0.00 0.00 0.00 175.76 176.03 2wrf s LYS 164 N 1.68 0.76 0.04 0.00 1.02 -1.26 -0.92 119.74 121.04 2wrf s LYS 164 Ca 0.37 -0.07 -0.06 0.00 0.02 0.00 0.00 55.97 56.22 2wrf s LYS 164 Cb -0.17 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2wrf s LYS 164 CO 0.14 -0.10 0.12 0.20 -0.92 0.00 0.00 175.35 174.79 2wrf s GLY 165 N 0.97 0.14 0.01 -3.33 0.00 -0.90 -5.03 107.32 99.18 2wrf s GLY 165 Ca -0.10 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 43.87 2wrf s GLY 165 CO -0.00 -0.61 0.69 -1.35 0.00 0.00 0.00 173.10 171.82 2wrf s SER 166 N -2.06 -0.59 -0.06 1.64 1.04 -1.26 -0.58 113.70 111.82 2wrf s SER 166 Ca -0.06 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 2wrf s SER 166 Cb -0.02 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.66 2wrf s SER 166 CO -0.04 -0.70 0.13 -0.47 0.98 0.00 0.00 173.24 173.14 2wrf s TYR 167 N -2.10 -0.14 -0.24 5.02 5.04 -0.66 -4.95 117.35 119.32 2wrf s TYR 167 Ca -0.06 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 54.88 2wrf s TYR 167 Cb -0.00 -0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.23 2wrf s TYR 167 CO 0.01 -0.12 0.14 1.21 -1.34 0.00 0.00 175.55 175.45 2wrf s ASN 168 N 0.68 5.85 -1.21 4.32 3.84 -1.26 -1.19 114.94 125.97 2wrf s ASN 168 Ca -0.05 0.03 -0.21 0.00 0.21 0.00 0.00 52.86 52.83 2wrf s ASN 168 Cb -0.07 -2.06 -0.03 0.00 -0.55 0.00 0.00 41.25 38.55 2wrf s ASN 168 CO -0.03 0.04 1.85 0.21 -2.79 0.00 0.00 177.10 176.38 2wrf s ASN 169 N 1.20 5.70 -0.23 -4.21 2.47 -0.28 -4.64 114.94 114.95 2wrf s ASN 169 Ca 0.06 -1.90 0.13 0.00 0.42 0.00 0.00 52.86 51.58 2wrf s ASN 169 Cb -0.14 -2.58 0.80 0.00 -1.45 0.00 0.00 41.25 37.87 2wrf s ASN 169 CO 0.05 -2.37 1.71 0.35 -3.72 0.00 0.00 177.10 173.13 2wrf n THR 170 N 7.30 2.69 0.75 -5.21 -2.24 -1.26 -0.51 114.28 115.79 2wrf n THR 170 Ca 0.46 -1.36 0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2wrf n THR 170 Cb 0.46 -0.29 0.39 0.00 -2.10 0.00 0.00 70.33 68.79 2wrf n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wrf n SER 171 N 0.59 0.55 0.00 3.42 3.41 -1.26 -4.94 113.62 115.39 2wrf n SER 171 Ca 0.27 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2wrf n SER 171 Cb 1.18 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2wrf n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrf n GLY 172 N 1.38 3.31 3.08 5.00 0.00 -1.26 -5.02 105.19 111.69 2wrf n GLY 172 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2wrf n GLY 172 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrf s GLU 173 N -0.68 0.59 0.52 1.61 2.56 -1.26 -5.01 118.70 117.03 2wrf s GLU 173 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 54.97 53.97 2wrf s GLU 173 Cb 0.00 -0.37 -0.11 0.00 2.00 0.00 0.00 34.13 35.65 2wrf s GLU 173 CO 0.00 0.07 0.31 1.04 -0.56 0.00 0.00 175.26 176.12 2wrf n GLN 174 N 1.36 0.35 -4.50 4.30 6.02 -1.26 -4.63 117.38 119.01 2wrf n GLN 174 Ca -0.22 0.13 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 2wrf n GLN 174 Cb 0.55 -1.43 -0.16 0.00 1.02 0.00 0.00 30.24 30.21 2wrf n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wrf s MET 175 N -1.64 1.40 -0.11 -1.09 -2.45 -0.67 -1.46 119.30 113.29 2wrf s MET 175 Ca 0.64 -0.35 -0.25 0.00 -1.25 0.00 0.00 55.69 54.47 2wrf s MET 175 Cb -0.49 -1.21 -0.02 0.00 1.25 0.00 0.00 34.83 34.36 2wrf s MET 175 CO 0.59 0.05 0.81 -1.17 1.05 0.00 0.00 175.02 176.34 2wrf s LEU 176 N 0.54 4.25 -0.04 4.11 2.96 0.27 0.86 118.68 131.63 2wrf s LEU 176 Ca -0.11 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 2wrf s LEU 176 Cb -0.14 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.33 2wrf s LEU 176 CO 0.02 -0.28 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.05 2wrf s ILE 177 N 1.51 0.89 -0.04 6.68 1.01 -0.32 -1.23 121.20 129.71 2wrf s ILE 177 Ca 0.40 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2wrf s ILE 177 Cb -0.18 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2wrf s ILE 177 CO 0.17 0.29 -0.20 -0.63 0.00 0.00 0.00 174.94 174.57 2wrf s ILE 178 N 0.50 2.59 0.06 2.92 1.01 -1.26 -1.08 121.20 125.93 2wrf s ILE 178 Ca -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 2wrf s ILE 178 Cb -0.13 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2wrf s ILE 178 CO 0.02 0.59 -0.04 -1.66 0.00 0.00 0.00 174.94 173.85 2wrf s TRP 179 N -0.67 0.56 0.31 3.97 -2.14 0.05 -4.03 118.94 116.99 2wrf s TRP 179 Ca 0.11 -1.02 0.11 0.00 2.66 0.00 0.00 56.10 57.95 2wrf s TRP 179 Cb -0.10 -0.40 -0.06 0.00 -3.10 0.00 0.00 33.47 29.81 2wrf s TRP 179 CO -0.00 -0.34 -0.14 0.20 -2.66 0.00 0.00 176.95 174.01 2wrf s GLY 180 N -2.86 2.05 -0.06 3.67 0.00 -0.65 -0.57 107.32 108.92 2wrf s GLY 180 Ca 0.06 -1.99 -0.02 0.00 0.00 0.00 0.00 44.72 42.78 2wrf s GLY 180 CO -0.09 -2.00 0.03 0.14 0.00 0.00 0.00 173.10 171.18 2wrf s VAL 181 N -2.56 0.15 0.03 1.40 1.01 -0.86 -1.70 120.40 117.87 2wrf s VAL 181 Ca 0.31 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 2wrf s VAL 181 Cb -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 2wrf s VAL 181 CO 0.16 0.22 0.67 -2.28 0.00 0.00 0.00 175.10 173.86 2wrf s HIS 182 N 2.01 3.72 -0.36 5.22 2.46 -0.35 -1.18 115.29 126.81 2wrf s HIS 182 Ca 0.04 1.33 0.01 0.00 0.47 0.00 0.00 55.06 56.91 2wrf s HIS 182 Cb -0.12 -2.69 0.10 0.00 -0.13 0.00 0.00 32.58 29.73 2wrf s HIS 182 CO -0.04 0.34 0.10 -1.01 -2.47 0.00 0.00 174.74 171.66 2wrf s HIS 183 N -0.23 3.64 0.81 3.88 3.76 0.15 -4.78 115.29 122.52 2wrf s HIS 183 Ca 0.34 -2.67 -0.12 0.00 -0.15 0.00 0.00 55.06 52.47 2wrf s HIS 183 Cb -0.19 -2.95 0.08 0.00 1.11 0.00 0.00 32.58 30.62 2wrf s HIS 183 CO 0.20 -0.95 1.12 -2.14 -0.85 0.00 0.00 174.74 172.12 2wrf s PRO 184 N 1.03 1.98 0.15 8.40 0.02 -1.26 -2.04 135.00 143.28 2wrf s PRO 184 Ca 0.08 0.42 -0.09 0.00 0.02 0.00 0.00 61.00 61.42 2wrf s PRO 184 Cb -0.21 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 2wrf s PRO 184 CO -0.06 -1.64 1.48 -0.91 -0.33 0.00 0.00 177.00 175.54 2wrf h ASN 185 N -1.10 0.94 -5.63 2.53 4.21 -1.83 -3.35 115.58 111.35 2wrf h ASN 185 Ca -0.47 -0.44 -0.31 0.00 1.21 0.00 0.00 56.30 56.28 2wrf h ASN 185 Cb 1.29 -0.27 -0.11 0.00 -1.12 0.00 0.00 38.32 38.12 2wrf h ASN 185 CO 0.62 1.23 -0.37 1.51 -1.29 0.00 0.00 177.43 179.13 2wrf s ASP 186 N -6.87 0.90 0.34 5.81 1.47 -1.26 -4.21 116.67 112.85 2wrf s ASP 186 Ca -0.10 -1.50 0.04 0.00 1.18 0.00 0.00 52.55 52.17 2wrf s ASP 186 Cb 0.11 0.56 0.60 0.00 -0.34 0.00 0.00 42.92 43.86 2wrf s ASP 186 CO 0.88 -1.12 1.88 -0.33 0.68 0.00 0.00 175.17 177.16 2wrf h GLU 187 N 2.24 0.56 -0.08 2.11 4.39 -2.00 -2.99 114.58 118.81 2wrf h GLU 187 Ca -0.29 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.11 2wrf h GLU 187 Cb 1.24 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2wrf h GLU 187 CO 0.41 0.56 -0.71 1.79 -1.16 0.00 0.00 179.01 179.89 2wrf h THR 188 N 0.54 1.33 -0.83 1.13 1.35 -1.99 -2.70 112.91 111.73 2wrf h THR 188 Ca 0.12 -2.00 0.12 0.00 -0.55 0.00 0.00 66.41 64.10 2wrf h THR 188 Cb 0.29 2.24 -0.06 0.00 -1.73 0.00 0.00 68.15 68.89 2wrf h THR 188 CO 0.01 0.61 0.54 -0.08 -0.25 0.00 0.00 175.52 176.35 2wrf h GLU 189 N 0.26 0.66 -0.14 4.72 4.81 -1.97 0.65 114.58 123.57 2wrf h GLU 189 Ca -0.07 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2wrf h GLU 189 Cb 1.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2wrf h GLU 189 CO 0.14 0.44 0.05 0.37 -0.73 0.00 0.00 179.01 179.28 2wrf h GLN 190 N 0.68 0.12 -0.10 1.92 5.75 -1.36 -2.16 115.11 119.96 2wrf h GLN 190 Ca 0.40 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.81 2wrf h GLN 190 Cb 0.61 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2wrf h GLN 190 CO -0.17 0.08 -0.26 0.00 -2.65 0.00 0.00 178.83 175.83 2wrf h ARG 191 N 0.12 0.35 -1.12 1.69 3.08 -0.87 -0.22 114.38 117.42 2wrf h ARG 191 Ca 0.06 -0.25 0.31 0.00 0.07 0.00 0.00 59.98 60.17 2wrf h ARG 191 Cb 0.03 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 2wrf h ARG 191 CO -0.06 0.86 0.74 1.15 -1.07 0.00 0.00 179.97 181.59 2wrf h THR 192 N -0.09 0.43 0.00 2.04 2.02 0.30 0.45 112.91 118.05 2wrf h THR 192 Ca -0.00 -0.09 -0.46 0.00 0.77 0.00 0.00 66.41 66.62 2wrf h THR 192 Cb 0.87 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 2wrf h THR 192 CO 0.06 0.05 -2.53 0.18 0.37 0.00 0.00 175.52 173.64 2wrf n LEU 193 N -4.56 2.07 -0.03 2.58 4.77 -0.82 -4.67 117.00 116.34 2wrf n LEU 193 Ca 0.28 0.29 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 2wrf n LEU 193 Cb 1.04 -0.83 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2wrf n LEU 193 CO 0.27 0.61 0.53 -1.22 -1.33 0.00 0.00 177.39 176.25 2wrf n TYR 194 N -4.15 0.00 0.00 -1.77 4.01 -0.11 -0.80 117.16 114.35 2wrf n TYR 194 Ca -0.54 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 56.50 2wrf n TYR 194 Cb 0.90 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 2wrf n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wrf n GLN 195 N -0.89 0.00 -2.78 -0.72 -0.06 0.15 -4.63 117.38 108.44 2wrf n GLN 195 Ca 0.07 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.65 2wrf n GLN 195 Cb 0.42 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.57 2wrf n GLN 195 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2wrf s ASN 196 N -4.00 7.30 0.78 1.69 2.20 -1.26 -4.17 114.94 117.48 2wrf s ASN 196 Ca 0.00 1.57 -0.11 0.00 -0.94 0.00 0.00 52.86 53.38 2wrf s ASN 196 Cb 0.00 -2.54 0.06 0.00 -2.00 0.00 0.00 41.25 36.77 2wrf s ASN 196 CO 0.00 -0.21 1.10 -0.69 -2.94 0.00 0.00 177.10 174.36 2wrf s VAL 197 N 0.88 3.10 -0.99 3.54 1.01 -1.26 -3.89 120.40 122.79 2wrf s VAL 197 Ca 0.49 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 2wrf s VAL 197 Cb -0.20 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2wrf s VAL 197 CO 0.26 -0.47 0.01 0.61 0.00 0.00 0.00 175.10 175.51 2wrf n GLY 198 N -2.32 -0.10 3.73 4.51 0.00 -1.26 -5.01 105.19 104.74 2wrf n GLY 198 Ca 0.07 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2wrf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrf s ALA 199 N -2.59 1.48 0.08 4.61 0.00 -1.25 -5.04 121.76 119.05 2wrf s ALA 199 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 2wrf s ALA 199 Cb -0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 2wrf s ALA 199 CO 0.01 -2.42 0.17 1.52 0.00 0.00 0.00 175.76 175.04 2wrf s TYR 200 N -3.04 0.16 -0.11 0.00 1.13 -1.25 -4.30 117.35 109.94 2wrf s TYR 200 Ca 0.64 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.74 2wrf s TYR 200 Cb -0.17 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 2wrf s TYR 200 CO 0.56 -0.51 -0.13 0.08 -2.51 0.00 0.00 175.55 173.03 2wrf s VAL 201 N -3.66 1.37 -0.15 -3.49 1.01 0.16 -2.06 120.40 113.58 2wrf s VAL 201 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2wrf s VAL 201 Cb 0.04 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.18 2wrf s VAL 201 CO -0.10 0.42 -0.05 -0.94 0.00 0.00 0.00 175.10 174.42 2wrf s SER 202 N 1.12 2.62 0.10 3.32 1.04 0.04 0.75 113.70 122.69 2wrf s SER 202 Ca -0.05 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2wrf s SER 202 Cb -0.14 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 2wrf s SER 202 CO -0.03 -0.17 0.12 -0.69 0.98 0.00 0.00 173.24 173.45 2wrf s VAL 203 N 1.67 4.71 -0.18 5.02 1.01 -0.63 -1.75 120.40 130.25 2wrf s VAL 203 Ca 0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2wrf s VAL 203 Cb -0.14 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.98 2wrf s VAL 203 CO -0.08 0.07 0.44 -0.83 0.00 0.00 0.00 175.10 174.70 2wrf s GLY 204 N -2.60 -0.35 0.00 4.51 0.00 -0.82 -2.93 107.32 105.13 2wrf s GLY 204 Ca 0.31 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.52 2wrf s GLY 204 CO 0.24 1.52 0.00 -1.30 0.00 0.00 0.00 173.10 173.56 2wrf n THR 205 N 3.76 0.00 0.24 0.90 -2.24 -0.65 -1.10 114.28 115.19 2wrf n THR 205 Ca -0.20 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2wrf n THR 205 Cb 0.56 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.28 2wrf n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wrf h SER 206 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.31 113.55 111.68 2wrf h SER 206 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wrf h SER 206 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wrf h SER 206 CO 0.00 0.10 -0.94 0.35 -1.14 0.00 0.00 176.83 175.21 2wrf n THR 207 N -3.20 0.00 -3.75 -2.27 -2.24 -1.26 -5.03 114.28 96.52 2wrf n THR 207 Ca 0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 2wrf n THR 207 Cb 0.41 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2wrf n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wrf s LEU 208 N -3.18 4.36 -0.17 3.22 2.96 -1.25 -5.08 118.68 119.55 2wrf s LEU 208 Ca 0.00 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2wrf s LEU 208 Cb 0.00 -2.19 0.08 0.00 0.50 0.00 0.00 46.19 44.58 2wrf s LEU 208 CO 0.00 0.33 0.32 0.21 -1.32 0.00 0.00 176.35 175.88 2wrf s ASN 209 N -0.65 0.23 -0.25 3.68 2.47 -1.26 -1.63 114.94 117.51 2wrf s ASN 209 Ca 0.16 0.62 -0.19 0.00 0.42 0.00 0.00 52.86 53.87 2wrf s ASN 209 Cb -0.13 0.92 0.07 0.00 -1.45 0.00 0.00 41.25 40.66 2wrf s ASN 209 CO 0.05 -0.25 0.65 -0.75 -3.72 0.00 0.00 177.10 173.08 2wrf s LYS 210 N 2.49 0.71 -0.10 0.43 2.20 -1.15 -5.04 119.74 119.27 2wrf s LYS 210 Ca 0.02 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.69 2wrf s LYS 210 Cb -0.13 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2wrf s LYS 210 CO -0.11 -0.12 -0.16 0.50 -0.36 0.00 0.00 175.35 175.10 2wrf s ARG 211 N 1.00 2.23 -0.05 4.03 3.52 -1.26 -1.61 118.95 126.82 2wrf s ARG 211 Ca -0.05 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2wrf s ARG 211 Cb -0.05 -1.85 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 2wrf s ARG 211 CO -0.09 -0.02 -0.16 -1.12 -0.81 0.00 0.00 175.30 173.10 2wrf s SER 212 N 0.84 3.88 -0.08 -2.12 0.01 0.23 -4.93 113.70 111.53 2wrf s SER 212 Ca -0.10 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2wrf s SER 212 Cb -0.15 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 2wrf s SER 212 CO 0.01 0.34 -0.13 -0.76 0.41 0.00 0.00 173.24 173.10 2wrf s LEU 213 N -0.70 2.75 0.09 2.44 1.43 -1.26 -0.66 118.68 122.77 2wrf s LEU 213 Ca 0.11 -0.23 -0.32 0.00 -1.03 0.00 0.00 54.13 52.66 2wrf s LEU 213 Cb -0.11 -1.58 -0.12 0.00 0.03 0.00 0.00 46.19 44.42 2wrf s LEU 213 CO 0.00 0.29 1.80 -2.65 0.23 0.00 0.00 176.35 176.02 2wrf n PRO 214 N 2.68 2.55 -3.45 1.29 -0.02 -1.26 -4.95 135.00 131.83 2wrf n PRO 214 Ca -0.17 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2wrf n PRO 214 Cb 0.52 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 2wrf n PRO 214 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wrf s GLU 215 N 2.64 3.61 -0.01 -0.52 2.02 -1.26 -5.03 118.70 120.16 2wrf s GLU 215 Ca 0.83 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.40 2wrf s GLU 215 Cb -0.56 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 2wrf s GLU 215 CO 0.40 -0.46 0.04 0.42 0.02 0.00 0.00 175.26 175.68 2wrf s ILE 216 N 1.93 4.41 -0.08 -1.63 1.01 -1.26 -4.68 121.20 120.89 2wrf s ILE 216 Ca 0.10 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 2wrf s ILE 216 Cb -0.17 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.42 2wrf s ILE 216 CO 0.11 0.37 0.89 0.00 0.00 0.00 0.00 174.94 176.31 2wrf s ALA 217 N -1.13 -1.86 -0.40 9.38 0.00 -1.26 -5.06 121.76 121.44 2wrf s ALA 217 Ca 0.21 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.22 2wrf s ALA 217 Cb -0.12 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2wrf s ALA 217 CO 0.11 -0.44 1.21 0.99 0.00 0.00 0.00 175.76 177.64 2wrf s THR 218 N -1.74 4.20 0.27 0.00 2.01 -1.26 -4.67 115.64 114.45 2wrf s THR 218 Ca -0.02 1.29 0.12 0.00 0.31 0.00 0.00 61.69 63.39 2wrf s THR 218 Cb -0.01 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2wrf s THR 218 CO 0.00 -0.75 -0.20 -0.13 -0.69 0.00 0.00 174.62 172.85 2wrf s ARG 219 N 4.32 1.67 1.22 4.92 0.52 -1.26 -5.14 118.95 125.19 2wrf s ARG 219 Ca 0.51 -1.74 -0.19 0.00 -0.52 0.00 0.00 55.73 53.79 2wrf s ARG 219 Cb -0.11 -1.78 0.29 0.00 0.52 0.00 0.00 34.95 33.87 2wrf s ARG 219 CO 0.27 0.34 1.08 -2.14 0.02 0.00 0.00 175.30 174.87 2wrf s PRO 220 N -3.44 -1.34 -0.21 3.54 0.02 -1.26 -4.82 135.00 127.50 2wrf s PRO 220 Ca 0.29 0.02 -0.14 0.00 0.02 0.00 0.00 61.00 61.19 2wrf s PRO 220 Cb -0.05 -1.58 -0.04 0.00 0.02 0.00 0.00 34.50 32.85 2wrf s PRO 220 CO 0.15 -3.80 0.32 -1.21 -0.33 0.00 0.00 177.00 172.12 2wrf s GLU 221 N -5.31 4.16 -0.23 5.54 2.02 -1.26 -4.37 118.70 119.25 2wrf s GLU 221 Ca 0.70 0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.77 2wrf s GLU 221 Cb -0.11 -3.52 0.05 0.00 0.10 0.00 0.00 34.13 30.65 2wrf s GLU 221 CO 0.57 0.03 -0.13 0.08 0.02 0.00 0.00 175.26 175.83 2wrf s VAL 222 N 1.12 2.06 -1.46 2.63 1.01 -0.13 -4.47 120.40 121.16 2wrf s VAL 222 Ca 0.15 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2wrf s VAL 222 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2wrf s VAL 222 CO 0.06 0.13 0.89 0.59 0.00 0.00 0.00 175.10 176.77 2wrf n ASN 223 N 4.51 -6.08 -1.33 3.32 4.13 -1.26 -2.05 115.26 116.51 2wrf n ASN 223 Ca -0.16 -0.44 -0.17 0.00 1.68 0.00 0.00 54.58 55.49 2wrf n ASN 223 Cb 0.45 -4.85 -0.07 0.00 -1.54 0.00 0.00 39.78 33.76 2wrf n ASN 223 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wrf n GLY 224 N -1.75 1.68 3.45 7.41 0.00 -1.26 -4.27 105.19 110.45 2wrf n GLY 224 Ca -0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2wrf n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrf s GLN 225 N -3.45 2.30 -0.05 1.61 -1.52 -0.87 -4.98 119.66 112.70 2wrf s GLN 225 Ca 0.00 -0.83 0.17 0.00 -1.95 0.00 0.00 55.36 52.76 2wrf s GLN 225 Cb 0.00 -2.27 -0.26 0.00 -0.22 0.00 0.00 33.01 30.26 2wrf s GLN 225 CO 0.00 0.59 0.33 0.41 -0.25 0.00 0.00 175.29 176.37 2wrf n GLY 226 N 2.04 -0.81 3.65 3.09 0.00 -1.26 -0.95 105.19 110.95 2wrf n GLY 226 Ca -0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 2wrf n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrf s GLY 227 N -4.20 1.57 -0.10 -0.02 0.00 -1.26 -4.61 107.32 98.70 2wrf s GLY 227 Ca -0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 2wrf s GLY 227 CO 0.73 0.12 0.27 0.50 0.00 0.00 0.00 173.10 174.71 2wrf s ARG 228 N -5.14 0.33 -0.25 2.90 1.81 -0.86 -4.69 118.95 113.05 2wrf s ARG 228 Ca 0.68 0.36 -0.02 0.00 -1.72 0.00 0.00 55.73 55.02 2wrf s ARG 228 Cb -0.15 0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.53 2wrf s ARG 228 CO 0.57 -0.04 -0.05 -1.64 -0.68 0.00 0.00 175.30 173.46 2wrf s MET 229 N 0.10 2.92 -0.45 3.54 -1.94 -0.17 0.34 119.30 123.64 2wrf s MET 229 Ca -0.00 -0.93 -0.18 0.00 -1.71 0.00 0.00 55.69 52.87 2wrf s MET 229 Cb -0.02 -3.01 0.04 0.00 2.01 0.00 0.00 34.83 33.85 2wrf s MET 229 CO 0.00 -0.38 0.48 -2.00 -0.01 0.00 0.00 175.02 173.12 2wrf s GLU 230 N 1.36 3.09 0.09 2.03 2.12 -0.32 -2.11 118.70 124.95 2wrf s GLU 230 Ca 0.01 -0.85 -0.10 0.00 0.36 0.00 0.00 54.97 54.39 2wrf s GLU 230 Cb -0.16 -4.02 -0.06 0.00 0.26 0.00 0.00 34.13 30.15 2wrf s GLU 230 CO -0.04 -0.97 0.42 -0.06 -0.54 0.00 0.00 175.26 174.07 2wrf s PHE 231 N 2.21 3.58 0.19 5.30 0.08 0.14 -2.03 117.98 127.45 2wrf s PHE 231 Ca 0.12 0.81 0.01 0.00 0.12 0.00 0.00 56.93 57.98 2wrf s PHE 231 Cb -0.18 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2wrf s PHE 231 CO 0.13 0.50 0.05 -1.12 -0.10 0.00 0.00 175.22 174.68 2wrf s SER 232 N -1.80 0.85 0.12 1.36 0.01 0.27 -0.74 113.70 113.77 2wrf s SER 232 Ca 0.34 -1.26 -0.08 0.00 1.31 0.00 0.00 55.95 56.27 2wrf s SER 232 Cb -0.14 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 2wrf s SER 232 CO 0.19 -0.68 0.21 -1.66 0.41 0.00 0.00 173.24 171.71 2wrf s TRP 233 N -3.84 0.33 0.15 2.43 1.48 -1.26 -0.77 118.94 117.45 2wrf s TRP 233 Ca 0.29 -0.73 -0.14 0.00 -1.06 0.00 0.00 56.10 54.46 2wrf s TRP 233 Cb 0.07 -0.10 0.02 0.00 -1.16 0.00 0.00 33.47 32.30 2wrf s TRP 233 CO 0.07 -0.61 0.38 -0.08 -4.06 0.00 0.00 176.95 172.64 2wrf s THR 234 N -3.92 0.07 -0.23 0.66 -1.32 -0.24 -5.00 115.64 105.65 2wrf s THR 234 Ca 0.12 -0.87 -0.11 0.00 -1.21 0.00 0.00 61.69 59.62 2wrf s THR 234 Cb 0.04 -1.43 -0.05 0.00 -1.51 0.00 0.00 72.50 69.56 2wrf s THR 234 CO -0.05 -0.31 0.16 -0.63 -2.21 0.00 0.00 174.62 171.58 2wrf s ILE 235 N -3.86 5.37 -0.51 5.08 -1.09 -1.26 -1.18 121.20 123.74 2wrf s ILE 235 Ca 0.08 0.20 -0.21 0.00 -2.23 0.00 0.00 60.65 58.49 2wrf s ILE 235 Cb 0.02 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.45 2wrf s ILE 235 CO -0.07 0.36 0.72 -0.22 -1.23 0.00 0.00 174.94 174.51 2wrf s LEU 236 N 0.91 4.66 1.00 2.97 2.96 0.25 -4.90 118.68 126.54 2wrf s LEU 236 Ca 0.08 -0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 2wrf s LEU 236 Cb -0.13 -2.59 0.20 0.00 0.50 0.00 0.00 46.19 44.17 2wrf s LEU 236 CO 0.03 -0.99 1.11 -0.62 -1.32 0.00 0.00 176.35 174.56 2wrf s ASP 237 N 2.68 2.21 0.18 3.68 3.68 -1.26 -1.66 116.67 126.19 2wrf s ASP 237 Ca 0.20 1.97 -0.30 0.00 2.13 0.00 0.00 52.55 56.55 2wrf s ASP 237 Cb -0.17 -2.49 -0.09 0.00 -1.45 0.00 0.00 42.92 38.73 2wrf s ASP 237 CO 0.15 -3.51 1.39 -0.63 0.13 0.00 0.00 175.17 172.69 2wrf s ILE 238 N -2.58 3.05 0.00 4.11 1.01 -1.26 -2.08 121.20 123.45 2wrf s ILE 238 Ca 0.67 0.82 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2wrf s ILE 238 Cb -0.24 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2wrf s ILE 238 CO 0.60 0.10 0.00 0.79 0.00 0.00 0.00 174.94 176.44 2wrf n TRP 239 N 3.04 0.00 -3.79 3.97 5.03 0.33 -5.00 117.44 121.03 2wrf n TRP 239 Ca 0.08 0.00 -0.25 0.00 3.03 0.00 0.00 57.50 60.36 2wrf n TRP 239 Cb 0.42 -0.95 -0.03 0.00 -1.03 0.00 0.00 31.31 29.72 2wrf n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2wrf s ASP 240 N -2.00 6.35 0.08 -0.99 2.15 -0.88 -4.77 116.67 116.60 2wrf s ASP 240 Ca 0.00 0.27 0.09 0.00 0.43 0.00 0.00 52.55 53.34 2wrf s ASP 240 Cb 0.00 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 2wrf s ASP 240 CO 0.00 -0.05 -0.22 0.42 -0.17 0.00 0.00 175.17 175.15 2wrf s THR 241 N -1.91 2.50 -0.12 1.71 -4.23 -1.26 -1.12 115.64 111.22 2wrf s THR 241 Ca 0.37 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2wrf s THR 241 Cb -0.10 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2wrf s THR 241 CO 0.30 0.23 -0.16 -0.51 -0.54 0.00 0.00 174.62 173.94 2wrf s ILE 242 N -0.98 2.83 -0.25 2.99 2.07 -0.34 -4.38 121.20 123.14 2wrf s ILE 242 Ca 0.14 -0.75 -0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2wrf s ILE 242 Cb -0.10 -2.16 0.03 0.00 0.13 0.00 0.00 42.46 40.36 2wrf s ILE 242 CO 0.06 0.54 -0.06 0.20 -1.91 0.00 0.00 174.94 173.77 2wrf s ASN 243 N 0.27 4.36 0.11 4.50 0.02 -0.26 -1.66 114.94 122.28 2wrf s ASN 243 Ca -0.11 -0.92 -0.15 0.00 -1.02 0.00 0.00 52.86 50.66 2wrf s ASN 243 Cb -0.16 -1.66 -0.07 0.00 0.02 0.00 0.00 41.25 39.38 2wrf s ASN 243 CO 0.06 -0.14 0.52 -0.36 0.02 0.00 0.00 177.10 177.20 2wrf s PHE 244 N 1.31 3.65 -0.17 2.20 0.08 0.25 -1.94 117.98 123.36 2wrf s PHE 244 Ca -0.01 1.05 -0.07 0.00 0.12 0.00 0.00 56.93 58.02 2wrf s PHE 244 Cb -0.17 -2.35 0.07 0.00 -0.57 0.00 0.00 43.02 40.00 2wrf s PHE 244 CO -0.04 0.49 0.38 -2.00 -0.10 0.00 0.00 175.22 173.96 2wrf s GLU 245 N -1.70 0.32 -0.07 0.44 2.12 -0.72 -2.11 118.70 116.97 2wrf s GLU 245 Ca 0.34 0.87 -0.05 0.00 0.36 0.00 0.00 54.97 56.49 2wrf s GLU 245 Cb -0.16 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.37 2wrf s GLU 245 CO 0.18 -0.21 0.18 0.45 -0.54 0.00 0.00 175.26 175.32 2wrf s SER 246 N 2.02 -0.18 -0.60 -1.70 0.15 -0.10 -0.78 113.70 112.52 2wrf s SER 246 Ca -0.05 0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.97 2wrf s SER 246 Cb -0.10 0.32 0.49 0.00 -1.71 0.00 0.00 66.02 65.01 2wrf s SER 246 CO -0.12 -0.10 1.94 0.35 1.20 0.00 0.00 173.24 176.51 2wrf n THR 247 N 3.55 3.46 0.00 6.45 -2.24 -0.87 0.31 114.28 124.93 2wrf n THR 247 Ca -0.19 -2.87 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 2wrf n THR 247 Cb 0.56 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2wrf n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrf n GLY 248 N -0.95 3.03 1.99 3.38 0.00 -1.26 -4.37 105.19 107.02 2wrf n GLY 248 Ca 0.60 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2wrf n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wrf n ASN 249 N 0.00 0.00 -4.78 1.61 3.02 -1.26 -3.83 115.26 110.02 2wrf n ASN 249 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2wrf n ASN 249 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2wrf n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wrf s LEU 250 N 0.00 4.58 -0.80 3.41 2.96 -1.26 -1.21 118.68 126.36 2wrf s LEU 250 Ca 0.00 1.65 -0.01 0.00 -0.22 0.00 0.00 54.13 55.56 2wrf s LEU 250 Cb 0.00 -3.34 0.20 0.00 0.50 0.00 0.00 46.19 43.55 2wrf s LEU 250 CO 0.00 0.19 0.66 -0.63 -1.32 0.00 0.00 176.35 175.25 2wrf s ILE 251 N -1.18 3.94 0.78 6.68 -1.09 -0.69 -3.67 121.20 125.98 2wrf s ILE 251 Ca 0.37 -3.78 -0.11 0.00 -2.23 0.00 0.00 60.65 54.90 2wrf s ILE 251 Cb -0.23 -3.49 0.07 0.00 -1.58 0.00 0.00 42.46 37.23 2wrf s ILE 251 CO 0.26 -1.03 1.11 0.00 -1.23 0.00 0.00 174.94 174.05 2wrf s ALA 252 N -1.13 2.14 0.56 9.38 0.00 -1.07 -1.63 121.76 130.01 2wrf s ALA 252 Ca 0.25 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 2wrf s ALA 252 Cb -0.09 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2wrf s ALA 252 CO -0.11 -1.89 1.00 -1.25 0.00 0.00 0.00 175.76 173.50 2wrf s PRO 253 N -4.76 3.81 -0.13 0.00 0.05 -1.26 -1.08 135.00 131.63 2wrf s PRO 253 Ca 0.63 0.87 0.10 0.00 0.05 0.00 0.00 61.00 62.65 2wrf s PRO 253 Cb -0.19 -2.12 -0.15 0.00 0.05 0.00 0.00 34.50 32.09 2wrf s PRO 253 CO 0.55 -0.39 0.03 -1.91 0.05 0.00 0.00 177.00 175.32 2wrf n GLU 254 N -2.05 1.73 -4.48 4.56 2.13 -0.35 -4.54 120.64 117.65 2wrf n GLU 254 Ca 0.06 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2wrf n GLU 254 Cb 0.54 -1.33 -0.12 0.00 0.27 0.00 0.00 31.44 30.80 2wrf n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wrf s TYR 255 N -2.32 2.55 0.45 4.31 2.02 -1.22 -0.81 117.35 122.35 2wrf s TYR 255 Ca -0.08 -0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.43 2wrf s TYR 255 Cb 0.04 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 2wrf s TYR 255 CO 0.52 0.32 0.31 0.20 -1.57 0.00 0.00 175.55 175.32 2wrf s GLY 256 N -1.78 2.29 -0.25 0.71 0.00 0.87 -4.70 107.32 104.46 2wrf s GLY 256 Ca 0.16 -1.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 2wrf s GLY 256 CO 0.08 -1.85 0.01 -1.36 0.00 0.00 0.00 173.10 169.97 2wrf s PHE 257 N -2.61 2.00 0.28 1.90 0.08 -0.36 -1.35 117.98 117.92 2wrf s PHE 257 Ca 0.41 -1.60 -0.30 0.00 0.12 0.00 0.00 56.93 55.56 2wrf s PHE 257 Cb -0.00 -1.55 -0.11 0.00 -0.57 0.00 0.00 43.02 40.79 2wrf s PHE 257 CO 0.24 -0.76 1.50 0.15 -0.10 0.00 0.00 175.22 176.24 2wrf s LYS 258 N 1.53 4.20 0.00 0.44 1.02 0.13 -0.56 119.74 126.49 2wrf s LYS 258 Ca -0.00 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.42 2wrf s LYS 258 Cb -0.18 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2wrf s LYS 258 CO -0.10 -0.51 0.00 1.51 -0.92 0.00 0.00 175.35 175.33 2wrf n ILE 259 N 2.00 0.00 0.00 2.17 3.06 -0.53 -1.41 119.36 124.64 2wrf n ILE 259 Ca 0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 2wrf n ILE 259 Cb 0.39 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.57 2wrf n ILE 259 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2wrf n SER 260 N 0.00 0.00 -4.26 9.51 2.88 -1.22 -3.91 113.62 116.63 2wrf n SER 260 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2wrf n SER 260 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 2wrf n SER 260 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wrf s LYS 261 N 0.00 0.87 0.00 -1.46 1.02 -1.26 -0.40 119.74 118.51 2wrf s LYS 261 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2wrf s LYS 261 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2wrf s LYS 261 CO 0.00 -2.15 0.00 2.89 -0.92 0.00 0.00 175.35 175.17 2wrf n ARG 262 N -3.47 0.00 0.00 1.68 1.85 -1.26 -4.82 116.66 110.64 2wrf n ARG 262 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2wrf n ARG 262 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2wrf n ARG 262 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrf n GLY 263 N 0.00 2.35 2.78 2.89 0.00 -1.26 -5.13 105.19 106.82 2wrf n GLY 263 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2wrf n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wrf s SER 264 N 2.00 0.62 0.00 1.61 0.15 -1.26 -4.77 113.70 112.05 2wrf s SER 264 Ca 0.00 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2wrf s SER 264 Cb 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2wrf s SER 264 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 2wrf n SER 265 N 4.00 0.00 -3.07 5.45 2.88 -1.26 -4.64 113.62 116.97 2wrf n SER 265 Ca 0.14 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.60 2wrf n SER 265 Cb 0.48 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2wrf n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wrf s GLY 266 N 0.00 0.29 -0.25 0.46 0.00 -1.26 -4.68 107.32 101.88 2wrf s GLY 266 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 2wrf s GLY 266 CO 0.00 0.03 0.04 -0.42 0.00 0.00 0.00 173.10 172.75 2wrf s ILE 267 N -2.44 3.93 -0.14 0.90 1.01 -1.26 -2.89 121.20 120.30 2wrf s ILE 267 Ca 0.16 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2wrf s ILE 267 Cb -0.05 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2wrf s ILE 267 CO 0.10 0.29 0.59 -0.32 0.00 0.00 0.00 174.94 175.60 2wrf s MET 268 N 1.54 4.30 -0.48 2.79 -2.45 0.89 -4.92 119.30 120.97 2wrf s MET 268 Ca 0.05 0.60 -0.15 0.00 -1.25 0.00 0.00 55.69 54.94 2wrf s MET 268 Cb -0.15 -3.50 0.08 0.00 1.25 0.00 0.00 34.83 32.50 2wrf s MET 268 CO 0.01 -0.04 0.41 0.15 1.05 0.00 0.00 175.02 176.60 2wrf s LYS 269 N 1.25 2.98 0.29 4.11 1.02 -1.26 -1.89 119.74 126.24 2wrf s LYS 269 Ca 0.29 -1.39 0.04 0.00 0.02 0.00 0.00 55.97 54.93 2wrf s LYS 269 Cb -0.16 -4.15 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 2wrf s LYS 269 CO 0.12 -1.06 0.22 -0.08 -0.92 0.00 0.00 175.35 173.62 2wrf s THR 270 N 1.63 0.05 -0.16 2.17 -1.32 -1.14 -4.88 115.64 112.00 2wrf s THR 270 Ca 0.04 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.62 2wrf s THR 270 Cb -0.25 -2.50 0.20 0.00 -1.51 0.00 0.00 72.50 68.45 2wrf s THR 270 CO 0.06 0.00 1.13 -0.62 -2.21 0.00 0.00 174.62 172.98 2wrf n GLU 271 N -0.52 2.28 -0.31 7.08 -0.58 -1.26 -3.73 120.64 123.61 2wrf n GLU 271 Ca 0.05 -2.13 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 2wrf n GLU 271 Cb 0.64 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 2wrf n GLU 271 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrf n GLY 272 N -0.78 0.34 3.09 0.62 0.00 -1.26 -5.11 105.19 102.09 2wrf n GLY 272 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2wrf n GLY 272 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wrf s THR 273 N 0.24 -0.89 0.51 2.61 -4.23 -1.26 -4.92 115.64 107.70 2wrf s THR 273 Ca 0.00 -0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 2wrf s THR 273 Cb 0.00 -0.95 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 2wrf s THR 273 CO 0.00 -0.03 0.59 0.00 -0.54 0.00 0.00 174.62 174.64 2wrf n LEU 274 N 5.41 0.81 -0.85 4.79 -0.00 -1.26 -4.78 117.00 121.12 2wrf n LEU 274 Ca -0.02 0.82 0.04 0.00 -0.00 0.00 0.00 56.01 56.85 2wrf n LEU 274 Cb 0.51 -1.18 0.07 0.00 -0.00 0.00 0.00 43.42 42.82 2wrf n LEU 274 CO 0.04 -2.81 0.25 -1.84 -0.00 0.00 0.00 177.39 173.02 2wrf n GLU 275 N 0.13 0.53 -2.31 1.47 0.28 -1.05 -5.01 120.64 114.68 2wrf n GLU 275 Ca 0.11 -2.11 -0.02 0.00 -0.16 0.00 0.00 57.16 54.99 2wrf n GLU 275 Cb 0.44 -0.69 0.00 0.00 1.43 0.00 0.00 31.44 32.62 2wrf n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2wrf n ASN 276 N -0.25 -5.85 0.00 -1.84 2.85 -1.26 -5.09 115.26 103.82 2wrf n ASN 276 Ca 0.09 0.74 0.00 0.00 -0.11 0.00 0.00 54.58 55.30 2wrf n ASN 276 Cb 0.86 -3.80 0.00 0.00 1.24 0.00 0.00 39.78 38.09 2wrf n ASN 276 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wrf s GLU 278 N 2.75 0.05 0.00 0.00 2.56 -1.26 -4.41 118.70 118.39 2wrf s GLU 278 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.97 54.94 2wrf s GLU 278 Cb 0.00 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.14 2wrf s GLU 278 CO 0.00 -0.02 0.00 -2.37 -0.56 0.00 0.00 175.26 172.31 2wrf n THR 279 N -0.72 0.00 1.85 -1.70 5.66 -1.21 -4.79 114.28 113.37 2wrf n THR 279 Ca -0.02 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.12 2wrf n THR 279 Cb 0.61 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 70.15 2wrf n THR 279 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2wrf n LYS 280 N -1.01 1.18 -3.65 1.09 3.00 -1.26 -3.10 118.16 114.41 2wrf n LYS 280 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.31 58.02 2wrf n LYS 280 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 35.03 33.53 2wrf n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrf s GLN 282 N 2.74 1.82 0.03 0.00 2.00 -0.54 -1.87 119.66 123.84 2wrf s GLN 282 Ca -0.06 -1.16 0.03 0.00 -2.00 0.00 0.00 55.36 52.17 2wrf s GLN 282 Cb -0.11 -2.13 -0.02 0.00 0.80 0.00 0.00 33.01 31.55 2wrf s GLN 282 CO -0.18 0.48 -0.10 0.99 -0.50 0.00 0.00 175.29 175.98 2wrf s THR 283 N -1.15 0.73 0.33 -0.34 2.01 -0.88 -1.44 115.64 114.90 2wrf s THR 283 Ca 0.18 -0.82 0.23 0.00 0.31 0.00 0.00 61.69 61.59 2wrf s THR 283 Cb -0.11 -0.69 0.23 0.00 0.01 0.00 0.00 72.50 71.94 2wrf s THR 283 CO 0.10 -0.10 1.66 -0.65 -0.69 0.00 0.00 174.62 174.95 2wrf h PRO 284 N 5.07 0.00 0.00 4.92 0.11 -1.94 -1.26 132.00 138.90 2wrf h PRO 284 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2wrf h PRO 284 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wrf h PRO 284 CO 0.44 0.00 -1.74 1.28 -0.21 0.00 0.00 178.00 177.78 2wrf n LEU 285 N -2.50 0.05 0.00 2.35 4.77 -1.26 -4.93 117.00 115.47 2wrf n LEU 285 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2wrf n LEU 285 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2wrf n LEU 285 CO 0.10 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2wrf n GLY 286 N 1.50 2.28 3.85 -0.72 0.00 -0.48 -4.17 105.19 107.45 2wrf n GLY 286 Ca -0.03 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 2wrf n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrf s ALA 287 N -2.00 3.17 -0.18 4.61 0.00 -1.02 -2.07 121.76 124.27 2wrf s ALA 287 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 2wrf s ALA 287 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2wrf s ALA 287 CO 0.00 -0.10 -0.04 0.42 0.00 0.00 0.00 175.76 176.04 2wrf s ILE 288 N -2.47 3.67 -0.48 0.00 1.01 -0.78 0.81 121.20 122.96 2wrf s ILE 288 Ca 0.56 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2wrf s ILE 288 Cb -0.10 -2.62 0.13 0.00 0.01 0.00 0.00 42.46 39.87 2wrf s ILE 288 CO 0.29 0.47 0.24 0.21 0.00 0.00 0.00 174.94 176.15 2wrf s ASN 289 N 0.75 4.88 0.36 3.58 2.47 -1.26 -4.46 114.94 121.26 2wrf s ASN 289 Ca -0.02 -2.54 -0.11 0.00 0.42 0.00 0.00 52.86 50.61 2wrf s ASN 289 Cb -0.15 -1.74 0.04 0.00 -1.45 0.00 0.00 41.25 37.96 2wrf s ASN 289 CO 0.02 -0.38 0.66 1.07 -3.72 0.00 0.00 177.10 174.76 2wrf n THR 290 N 3.83 0.00 -0.69 -5.21 5.66 -1.26 -5.05 114.28 111.56 2wrf n THR 290 Ca 0.04 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 59.93 2wrf n THR 290 Cb 0.38 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.10 2wrf n THR 290 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wrf n THR 291 N -0.51 0.00 -2.78 1.09 -2.24 -1.26 -5.08 114.28 103.51 2wrf n THR 291 Ca -0.06 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 2wrf n THR 291 Cb 0.55 1.63 -0.06 0.00 -2.10 0.00 0.00 70.33 70.34 2wrf n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wrf s LEU 292 N 0.00 4.26 0.09 3.22 1.43 -1.26 -4.92 118.68 121.49 2wrf s LEU 292 Ca 0.00 1.81 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 2wrf s LEU 292 Cb 0.00 -4.12 0.29 0.00 0.03 0.00 0.00 46.19 42.39 2wrf s LEU 292 CO 0.00 -0.13 1.13 -2.65 0.23 0.00 0.00 176.35 174.92 2wrf n PRO 293 N 0.32 0.03 -3.77 1.29 -0.02 -1.23 -4.66 135.00 126.97 2wrf n PRO 293 Ca 0.03 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 2wrf n PRO 293 Cb 0.51 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 2wrf n PRO 293 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wrf s PHE 294 N -3.07 -0.20 0.25 6.00 0.08 -1.21 -2.59 117.98 117.24 2wrf s PHE 294 Ca -0.01 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.43 2wrf s PHE 294 Cb 0.02 0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.50 2wrf s PHE 294 CO 0.05 -0.33 0.07 -3.38 -0.10 0.00 0.00 175.22 171.53 2wrf s HIS 295 N -0.98 1.55 -0.05 0.36 -3.43 -1.24 -0.09 115.29 111.41 2wrf s HIS 295 Ca -0.11 -1.11 0.11 0.00 -0.80 0.00 0.00 55.06 53.15 2wrf s HIS 295 Cb -0.05 -0.92 0.20 0.00 -1.43 0.00 0.00 32.58 30.39 2wrf s HIS 295 CO 0.03 -0.26 1.09 0.27 -2.00 0.00 0.00 174.74 173.88 2wrf n ASN 296 N -0.46 0.86 0.22 7.38 6.94 -1.11 -0.92 115.26 128.17 2wrf n ASN 296 Ca -0.01 -2.40 -0.10 0.00 -0.02 0.00 0.00 54.58 52.05 2wrf n ASN 296 Cb 0.66 -0.30 -0.05 0.00 -2.36 0.00 0.00 39.78 37.73 2wrf n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wrf h ILE 297 N 5.08 0.01 -1.90 1.53 2.04 -1.87 -3.48 117.51 118.91 2wrf h ILE 297 Ca -0.06 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2wrf h ILE 297 Cb 1.41 0.01 -0.22 0.00 -0.74 0.00 0.00 36.82 37.27 2wrf h ILE 297 CO 0.02 0.00 0.20 -2.28 0.00 0.00 0.00 178.15 176.09 2wrf s HIS 298 N -3.59 -0.75 0.03 1.37 5.04 -1.26 -5.03 115.29 111.11 2wrf s HIS 298 Ca -0.09 1.76 -0.24 0.00 -1.54 0.00 0.00 55.06 54.95 2wrf s HIS 298 Cb 0.01 0.34 -0.16 0.00 0.04 0.00 0.00 32.58 32.80 2wrf s HIS 298 CO 0.28 -0.36 1.47 -1.35 -2.34 0.00 0.00 174.74 172.44 2wrf h PRO 299 N 5.10 0.07 -4.06 2.88 0.11 -1.96 -3.36 132.00 130.78 2wrf h PRO 299 Ca -0.29 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.11 2wrf h PRO 299 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2wrf h PRO 299 CO 0.08 0.34 2.95 1.28 -0.21 0.00 0.00 178.00 182.43 2wrf n LEU 300 N -4.90 6.19 -4.93 2.35 4.77 -1.26 -4.81 117.00 114.41 2wrf n LEU 300 Ca -0.07 -3.79 -0.25 0.00 -0.03 0.00 0.00 56.01 51.86 2wrf n LEU 300 Cb 0.17 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 39.79 2wrf n LEU 300 CO 0.34 0.76 0.45 0.42 -1.33 0.00 0.00 177.39 178.03 2wrf s THR 301 N 3.62 3.68 -0.15 -5.08 -4.23 -1.26 -4.36 115.64 107.86 2wrf s THR 301 Ca 0.51 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 2wrf s THR 301 Cb 0.14 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.61 2wrf s THR 301 CO -0.03 -0.39 0.04 -0.63 -0.54 0.00 0.00 174.62 173.07 2wrf s ILE 302 N -2.85 0.37 -3.07 2.99 1.01 -0.52 -3.45 121.20 115.68 2wrf s ILE 302 Ca 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2wrf s ILE 302 Cb -0.10 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2wrf s ILE 302 CO 0.42 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2wrf n GLY 303 N 5.12 0.47 3.28 6.18 0.00 -1.24 -1.47 105.19 117.54 2wrf n GLY 303 Ca -0.08 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2wrf n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrf s GLU 304 N -2.00 2.64 -0.05 1.61 2.02 -0.39 -2.94 118.70 119.59 2wrf s GLU 304 Ca 0.00 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 53.60 2wrf s GLU 304 Cb 0.00 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.39 2wrf s GLU 304 CO 0.00 -0.96 -0.20 0.00 0.02 0.00 0.00 175.26 174.12 2wrf n PRO 306 N 2.56 0.90 -0.88 0.00 -0.02 -1.26 -4.67 135.00 131.63 2wrf n PRO 306 Ca -0.17 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 2wrf n PRO 306 Cb 0.52 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.66 2wrf n PRO 306 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrf n LYS 307 N 7.47 0.00 -1.69 -0.52 3.00 -1.07 -3.66 118.16 121.70 2wrf n LYS 307 Ca 0.41 0.00 -0.52 0.00 -0.00 0.00 0.00 58.31 58.20 2wrf n LYS 307 Cb 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 35.03 34.52 2wrf n LYS 307 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wrf n TYR 308 N 3.52 2.21 -4.37 5.64 9.36 -1.26 -4.13 117.16 128.14 2wrf n TYR 308 Ca 0.40 0.19 -0.24 0.00 3.32 0.00 0.00 57.90 61.57 2wrf n TYR 308 Cb 0.08 -2.59 -0.09 0.00 -0.63 0.00 0.00 39.34 36.11 2wrf n TYR 308 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2wrf s VAL 309 N 4.04 2.66 -0.43 2.97 -7.23 -0.10 -4.94 120.40 117.37 2wrf s VAL 309 Ca 0.95 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2wrf s VAL 309 Cb -0.83 -2.73 0.62 0.00 0.56 0.00 0.00 36.38 33.99 2wrf s VAL 309 CO 0.57 -0.24 1.87 1.17 -0.31 0.00 0.00 175.10 178.16 2wrf n LYS 310 N -0.90 2.19 -4.26 4.82 4.81 -1.26 -4.28 118.16 119.29 2wrf n LYS 310 Ca -0.05 -2.83 -0.28 0.00 -0.87 0.00 0.00 58.31 54.28 2wrf n LYS 310 Cb 0.62 -2.11 -0.10 0.00 0.02 0.00 0.00 35.03 33.46 2wrf n LYS 310 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2wrf s SER 311 N -1.17 4.32 0.19 3.14 1.04 -1.26 -5.03 113.70 114.91 2wrf s SER 311 Ca 0.54 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.58 2wrf s SER 311 Cb 0.45 -0.77 0.03 0.00 0.10 0.00 0.00 66.02 65.82 2wrf s SER 311 CO 0.10 0.14 1.42 -0.08 0.98 0.00 0.00 173.24 175.80 2wrf h GLU 312 N 3.29 0.00 -1.89 4.02 4.57 -1.99 -3.45 114.58 119.12 2wrf h GLU 312 Ca -0.48 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2wrf h GLU 312 Cb 1.18 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.57 2wrf h GLU 312 CO 0.53 0.83 0.35 -0.98 -1.18 0.00 0.00 179.01 178.56 2wrf s ARG 313 N -3.07 0.87 -0.25 1.92 1.70 -1.26 -5.07 118.95 113.80 2wrf s ARG 313 Ca 0.00 0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.37 2wrf s ARG 313 Cb 0.11 0.41 0.10 0.00 -0.57 0.00 0.00 34.95 35.00 2wrf s ARG 313 CO 0.79 -0.29 0.19 -0.51 -1.08 0.00 0.00 175.30 174.41 2wrf s LEU 314 N -1.32 0.14 -0.14 -1.89 1.43 -1.26 -5.03 118.68 110.61 2wrf s LEU 314 Ca -0.06 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2wrf s LEU 314 Cb -0.00 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.32 2wrf s LEU 314 CO 0.04 -0.38 -0.16 0.68 0.23 0.00 0.00 176.35 176.76 2wrf s VAL 315 N 2.23 1.64 -0.05 -1.59 -7.23 -1.26 -1.46 120.40 112.68 2wrf s VAL 315 Ca 0.08 -0.69 -0.21 0.00 -1.81 0.00 0.00 61.98 59.35 2wrf s VAL 315 Cb -0.15 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2wrf s VAL 315 CO -0.26 0.47 0.59 -0.76 -0.31 0.00 0.00 175.10 174.83 2wrf s LEU 316 N 1.27 4.35 0.08 1.32 1.43 0.99 -4.62 118.68 123.50 2wrf s LEU 316 Ca 0.01 1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.87 2wrf s LEU 316 Cb -0.14 -2.90 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 2wrf s LEU 316 CO -0.08 0.02 1.34 0.00 0.23 0.00 0.00 176.35 177.87 2wrf s ALA 317 N 0.27 3.54 -0.10 4.21 0.00 -1.26 -0.68 121.76 127.74 2wrf s ALA 317 Ca 0.31 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2wrf s ALA 317 Cb -0.17 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 2wrf s ALA 317 CO 0.15 -0.62 -0.07 0.25 0.00 0.00 0.00 175.76 175.48 2wrf n THR 318 N 4.06 0.59 -1.51 0.00 -2.24 -0.62 -4.80 114.28 109.75 2wrf n THR 318 Ca 0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2wrf n THR 318 Cb 0.44 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2wrf n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrf n GLY 319 N 2.90 0.92 3.81 3.38 0.00 0.19 -4.93 105.19 111.46 2wrf n GLY 319 Ca -0.17 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 2wrf n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wrf s LEU 320 N 0.00 3.39 0.21 0.99 2.34 -1.26 -4.50 118.68 119.85 2wrf s LEU 320 Ca 0.00 -0.72 -0.32 0.00 0.06 0.00 0.00 54.13 53.15 2wrf s LEU 320 Cb 0.00 -1.94 -0.13 0.00 -0.56 0.00 0.00 46.19 43.56 2wrf s LEU 320 CO 0.00 -0.46 1.61 -1.14 -1.06 0.00 0.00 176.35 175.31 2wrf n ARG 321 N -1.35 2.47 -3.05 1.48 0.63 -1.26 -0.96 116.66 114.62 2wrf n ARG 321 Ca -0.00 0.89 -0.45 0.00 -0.92 0.00 0.00 57.85 57.37 2wrf n ARG 321 Cb 0.61 -2.67 -0.03 0.00 0.45 0.00 0.00 32.46 30.82 2wrf n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wrf s ASN 322 N 0.84 6.40 -0.14 6.15 2.47 -0.63 -4.74 114.94 125.30 2wrf s ASN 322 Ca 0.73 -1.73 -0.06 0.00 0.42 0.00 0.00 52.86 52.22 2wrf s ASN 322 Cb -0.58 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 36.85 2wrf s ASN 322 CO 0.39 -1.07 0.10 0.68 -3.72 0.00 0.00 177.10 173.48 2wrf s VAL 323 N 2.54 5.11 0.84 -5.21 -7.23 -1.26 -4.84 120.40 110.34 2wrf s VAL 323 Ca 0.20 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 2wrf s VAL 323 Cb -0.15 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 33.64 2wrf s VAL 323 CO -0.00 0.56 1.17 -2.84 -0.31 0.00 0.00 175.10 173.68 2wrf s PRO 324 N -0.54 1.72 0.00 4.82 0.02 -1.26 -2.50 135.00 137.26 2wrf s PRO 324 Ca 0.11 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.28 2wrf s PRO 324 Cb -0.12 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2wrf s PRO 324 CO 0.02 -1.77 0.00 0.94 -0.33 0.00 0.00 177.00 175.86 2wrf n GLN 325 N -3.45 0.00 0.00 5.54 0.00 -1.26 -3.94 117.38 114.27 2wrf n GLN 325 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 2wrf n GLN 325 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.85 2wrf n GLN 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wrf n GLY 330 N 0.00 -0.61 0.13 1.69 0.00 -1.10 -4.43 105.19 100.87 2wrf n GLY 330 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.99 2wrf n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrf h LEU 331 N 0.00 0.00 -1.29 0.99 -0.00 -1.93 -3.36 115.31 109.72 2wrf h LEU 331 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wrf h LEU 331 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2wrf h LEU 331 CO 0.00 0.47 -0.05 0.49 -0.00 0.00 0.00 178.44 179.34 2wrf n PHE 332 N -3.07 0.00 0.00 1.13 3.72 -1.26 -5.01 117.46 112.97 2wrf n PHE 332 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wrf n PHE 332 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 2wrf n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wrf n GLY 333 N 0.71 2.71 0.00 1.37 0.00 -1.26 -4.87 105.19 103.86 2wrf n GLY 333 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wrf n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrf n ALA 334 N 0.00 -0.10 -1.79 4.61 0.00 -1.26 -1.18 120.51 120.79 2wrf n ALA 334 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2wrf n ALA 334 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2wrf n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wrf s ILE 335 N -1.36 2.21 -1.01 0.00 1.01 -1.26 -1.42 121.20 119.36 2wrf s ILE 335 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2wrf s ILE 335 Cb 0.00 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.46 2wrf s ILE 335 CO 0.00 0.04 0.33 0.00 0.00 0.00 0.00 174.94 175.31 2wrf n ALA 336 N 1.55 -1.09 -2.78 9.38 0.00 -1.26 -2.73 120.51 123.59 2wrf n ALA 336 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wrf n ALA 336 Cb 0.39 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2wrf n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrf n GLY 337 N -0.85 3.79 0.31 0.00 0.00 -0.51 -4.60 105.19 103.33 2wrf n GLY 337 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.67 2wrf n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wrf h PHE 338 N 0.00 0.55 -1.33 1.61 -5.15 -1.13 -2.56 116.94 108.93 2wrf h PHE 338 Ca 0.00 0.01 -0.71 0.00 -0.20 0.00 0.00 57.97 57.07 2wrf h PHE 338 Cb 0.00 -0.18 -0.12 0.00 0.22 0.00 0.00 35.95 35.87 2wrf h PHE 338 CO 0.00 0.36 1.93 -0.89 -2.00 0.00 0.00 178.31 177.71 2wrf n ILE 339 N -4.46 4.06 -0.46 0.88 5.41 -1.05 -4.42 119.36 119.32 2wrf n ILE 339 Ca 0.03 -4.30 0.37 0.00 1.00 0.00 0.00 62.75 59.85 2wrf n ILE 339 Cb 0.07 -2.41 0.59 0.00 -0.71 0.00 0.00 39.64 37.18 2wrf n ILE 339 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2wrf n GLU 340 N 7.04 -0.02 -2.71 0.38 2.13 -0.97 -3.99 120.64 122.50 2wrf n GLU 340 Ca 0.44 0.96 -0.05 0.00 0.66 0.00 0.00 57.16 59.17 2wrf n GLU 340 Cb 0.44 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 30.16 2wrf n GLU 340 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wrf n GLY 341 N -1.55 1.31 3.79 8.31 0.00 -1.26 -4.57 105.19 111.23 2wrf n GLY 341 Ca 0.34 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 2wrf n GLY 341 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrf s GLY 342 N -2.33 2.23 -0.50 -0.02 0.00 -1.04 -4.69 107.32 100.97 2wrf s GLY 342 Ca 0.10 -2.00 -0.02 0.00 0.00 0.00 0.00 44.72 42.79 2wrf s GLY 342 CO 0.07 -1.82 0.30 -0.98 0.00 0.00 0.00 173.10 170.67 2wrf s TRP 343 N -2.54 3.50 0.49 1.90 0.51 -1.20 -4.47 118.94 117.14 2wrf s TRP 343 Ca 0.43 -2.58 0.36 0.00 -2.12 0.00 0.00 56.10 52.20 2wrf s TRP 343 Cb 0.01 -3.19 1.51 0.00 -0.81 0.00 0.00 33.47 30.98 2wrf s TRP 343 CO 0.25 -0.91 1.65 0.37 -0.51 0.00 0.00 176.95 177.80 2wrf h GLN 344 N 7.57 0.07 -0.89 4.98 5.75 -1.84 -0.79 115.11 129.95 2wrf h GLN 344 Ca -0.08 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 2wrf h GLN 344 Cb 1.00 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.49 2wrf h GLN 344 CO 0.70 0.05 0.49 0.78 -2.65 0.00 0.00 178.83 178.20 2wrf h GLY 345 N 0.07 1.32 -5.33 2.39 0.00 -1.90 -3.41 103.07 96.21 2wrf h GLY 345 Ca 0.79 -0.59 -0.58 0.00 0.00 0.00 0.00 47.33 46.95 2wrf h GLY 345 CO -0.22 0.57 0.44 -0.29 0.00 0.00 0.00 176.54 177.03 2wrf s MET 346 N -5.86 4.30 -0.28 4.80 -2.45 -0.30 -4.92 119.30 114.59 2wrf s MET 346 Ca -0.13 1.07 0.20 0.00 -1.25 0.00 0.00 55.69 55.58 2wrf s MET 346 Cb 0.17 -3.58 0.48 0.00 1.25 0.00 0.00 34.83 33.14 2wrf s MET 346 CO 0.82 -0.36 1.25 1.33 1.05 0.00 0.00 175.02 179.11 2wrf n VAL 347 N 4.79 0.86 -0.87 10.11 0.24 -1.26 -4.62 118.33 127.57 2wrf n VAL 347 Ca 0.05 -2.30 0.01 0.00 -2.04 0.00 0.00 64.34 60.06 2wrf n VAL 347 Cb 0.48 1.21 0.02 0.00 -1.47 0.00 0.00 33.84 34.08 2wrf n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wrf n ASP 348 N -0.88 0.88 0.00 -1.34 5.75 -1.26 -5.10 116.55 114.59 2wrf n ASP 348 Ca -0.01 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2wrf n ASP 348 Cb 0.83 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2wrf n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wrf n GLY 349 N -0.32 -1.28 0.11 6.12 0.00 -1.26 -4.83 105.19 103.73 2wrf n GLY 349 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2wrf n GLY 349 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wrf n TRP 350 N 0.12 0.98 -4.40 1.61 8.01 -1.26 -4.59 117.44 117.91 2wrf n TRP 350 Ca 0.00 0.27 -0.20 0.00 -1.31 0.00 0.00 57.50 56.27 2wrf n TRP 350 Cb 0.00 -1.15 -0.14 0.00 -2.01 0.00 0.00 31.31 28.01 2wrf n TRP 350 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2wrf s TYR 351 N -2.57 1.10 0.03 -5.99 2.02 -1.26 0.38 117.35 111.06 2wrf s TYR 351 Ca -0.15 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2wrf s TYR 351 Cb 0.07 -0.68 0.02 0.00 -0.40 0.00 0.00 41.96 40.97 2wrf s TYR 351 CO 0.79 0.00 0.21 0.41 -1.57 0.00 0.00 175.55 175.39 2wrf n GLY 352 N 2.29 1.08 3.76 0.71 0.00 -1.06 0.20 105.19 112.17 2wrf n GLY 352 Ca -0.16 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 2wrf n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrf s TYR 353 N -4.91 2.43 -0.29 1.61 2.02 -0.22 -3.35 117.35 114.65 2wrf s TYR 353 Ca 0.05 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 2wrf s TYR 353 Cb -0.00 -1.93 0.18 0.00 -0.40 0.00 0.00 41.96 39.80 2wrf s TYR 353 CO 0.01 0.10 0.55 -1.58 -1.57 0.00 0.00 175.55 173.06 2wrf s HIS 354 N -2.64 -1.51 -0.09 2.71 5.65 -1.24 -2.46 115.29 115.70 2wrf s HIS 354 Ca 0.38 1.32 -0.02 0.00 0.25 0.00 0.00 55.06 56.98 2wrf s HIS 354 Cb 0.03 0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 31.76 2wrf s HIS 354 CO 0.21 -0.92 0.01 -3.38 -0.65 0.00 0.00 174.74 170.01 2wrf s HIS 355 N 2.78 3.19 -0.56 3.88 -3.43 -1.20 -3.75 115.29 116.20 2wrf s HIS 355 Ca 0.16 0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 54.49 2wrf s HIS 355 Cb -0.14 -1.82 0.14 0.00 -1.43 0.00 0.00 32.58 29.34 2wrf s HIS 355 CO -0.22 0.45 0.47 -1.12 -2.00 0.00 0.00 174.74 172.32 2wrf s SER 356 N -0.79 6.00 0.35 7.38 0.01 -1.26 -4.03 113.70 121.36 2wrf s SER 356 Ca 0.12 -2.05 0.03 0.00 1.31 0.00 0.00 55.95 55.36 2wrf s SER 356 Cb -0.12 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.04 2wrf s SER 356 CO 0.02 -0.71 0.25 -3.20 0.41 0.00 0.00 173.24 170.01 2wrf n ASN 357 N 4.79 2.14 0.11 2.44 5.15 -1.18 -4.96 115.26 123.74 2wrf n ASN 357 Ca -0.06 -2.21 0.08 0.00 -0.60 0.00 0.00 54.58 51.79 2wrf n ASN 357 Cb 0.41 -0.02 0.40 0.00 -0.53 0.00 0.00 39.78 40.04 2wrf n ASN 357 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2wrf n ASP 358 N -1.87 0.38 -3.70 1.20 8.00 -1.26 -3.93 116.55 115.37 2wrf n ASP 358 Ca -0.02 0.67 -0.30 0.00 0.71 0.00 0.00 54.79 55.85 2wrf n ASP 358 Cb 0.40 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 2wrf n ASP 358 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wrf s GLN 359 N -3.34 1.18 0.00 -1.24 -0.21 -1.26 -5.10 119.66 109.68 2wrf s GLN 359 Ca -0.01 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.51 2wrf s GLN 359 Cb 0.05 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.81 2wrf s GLN 359 CO 0.16 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 172.60 2wrf n GLY 360 N 3.72 1.46 0.46 3.09 0.00 -1.25 -4.98 105.19 107.70 2wrf n GLY 360 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2wrf n GLY 360 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrf n SER 361 N 1.13 -2.58 0.00 1.61 7.64 -1.26 -3.12 113.62 117.04 2wrf n SER 361 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2wrf n SER 361 Cb 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2wrf n SER 361 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wrf n GLY 362 N -1.72 4.14 3.76 0.23 0.00 -1.26 -4.71 105.19 105.64 2wrf n GLY 362 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2wrf n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrf s TYR 363 N 0.00 3.22 -0.23 1.61 2.02 -1.26 -3.22 117.35 119.49 2wrf s TYR 363 Ca 0.00 0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.80 2wrf s TYR 363 Cb 0.00 -1.69 0.12 0.00 -0.40 0.00 0.00 41.96 39.99 2wrf s TYR 363 CO 0.00 0.53 0.45 0.00 -1.57 0.00 0.00 175.55 174.95 2wrf s ALA 364 N -1.23 -1.34 0.32 3.71 0.00 -1.03 -5.03 121.76 117.16 2wrf s ALA 364 Ca 0.24 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 2wrf s ALA 364 Cb -0.12 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 2wrf s ALA 364 CO 0.16 -1.00 1.10 0.00 0.00 0.00 0.00 175.76 176.01 2wrf s ALA 365 N 2.65 3.31 -1.11 0.00 0.00 -1.26 -1.06 121.76 124.29 2wrf s ALA 365 Ca 0.05 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 2wrf s ALA 365 Cb -0.13 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.74 2wrf s ALA 365 CO -0.15 -0.21 1.49 0.34 0.00 0.00 0.00 175.76 177.23 2wrf s ASP 366 N -1.05 6.67 0.45 0.00 2.15 0.13 -4.86 116.67 120.16 2wrf s ASP 366 Ca 0.49 -1.98 0.16 0.00 0.43 0.00 0.00 52.55 51.64 2wrf s ASP 366 Cb -0.30 -2.53 1.08 0.00 -0.30 0.00 0.00 42.92 40.87 2wrf s ASP 366 CO 0.38 -1.27 1.98 0.11 -0.17 0.00 0.00 175.17 176.19 2wrf h LYS 367 N 8.74 0.34 0.13 4.34 1.57 -1.90 -2.39 116.57 127.41 2wrf h LYS 367 Ca 0.28 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2wrf h LYS 367 Cb 0.96 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2wrf h LYS 367 CO 1.38 0.23 -0.25 1.49 -0.57 0.00 0.00 179.45 181.72 2wrf h GLU 368 N 0.35 -0.45 0.00 3.15 4.81 -1.96 0.18 114.58 120.67 2wrf h GLU 368 Ca 0.28 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2wrf h GLU 368 Cb 0.64 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2wrf h GLU 368 CO -0.07 -0.30 -0.02 0.66 -0.73 0.00 0.00 179.01 178.54 2wrf h SER 369 N -0.47 0.00 1.09 1.04 4.64 -1.87 -2.54 113.55 115.44 2wrf h SER 369 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2wrf h SER 369 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2wrf h SER 369 CO -0.13 0.02 -0.60 0.74 -0.87 0.00 0.00 176.83 175.99 2wrf h THR 370 N 0.00 1.14 0.04 2.95 2.02 -0.95 -2.94 112.91 115.17 2wrf h THR 370 Ca -0.00 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 2wrf h THR 370 Cb 0.76 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2wrf h THR 370 CO 0.00 0.59 -0.02 1.56 0.37 0.00 0.00 175.52 178.02 2wrf h GLN 371 N 0.00 -0.05 -0.49 6.66 1.08 -0.34 -1.37 115.11 120.60 2wrf h GLN 371 Ca -0.01 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 2wrf h GLN 371 Cb 1.31 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 2wrf h GLN 371 CO 0.08 0.60 0.49 -0.22 -0.95 0.00 0.00 178.83 178.83 2wrf h LYS 372 N -0.78 0.00 0.00 1.46 3.64 -1.52 1.18 116.57 120.56 2wrf h LYS 372 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wrf h LYS 372 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2wrf h LYS 372 CO 0.01 0.00 -0.00 0.00 -2.27 0.00 0.00 179.45 177.19 2wrf h ALA 373 N 1.49 -0.00 -0.65 5.00 0.00 -1.49 -2.32 119.26 121.29 2wrf h ALA 373 Ca 0.23 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2wrf h ALA 373 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2wrf h ALA 373 CO -0.00 -0.01 0.43 0.27 0.00 0.00 0.00 179.25 179.94 2wrf h PHE 374 N -1.00 0.62 0.18 0.00 -0.00 -0.06 0.48 116.94 117.16 2wrf h PHE 374 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.98 2wrf h PHE 374 Cb 0.67 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 36.42 2wrf h PHE 374 CO 0.19 0.32 -0.09 -0.44 -0.00 0.00 0.00 178.31 178.29 2wrf h ASP 375 N 0.61 -0.21 0.74 -0.68 3.32 0.13 -2.69 116.42 117.64 2wrf h ASP 375 Ca 0.29 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2wrf h ASP 375 Cb 0.34 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.95 2wrf h ASP 375 CO -0.09 0.09 -0.35 1.23 -1.72 0.00 0.00 179.24 178.40 2wrf h GLY 376 N -0.51 -1.03 0.25 2.75 0.00 -0.89 -2.95 103.07 100.68 2wrf h GLY 376 Ca -0.02 0.38 0.24 0.00 0.00 0.00 0.00 47.33 47.93 2wrf h GLY 376 CO 0.04 -0.38 0.65 -2.22 0.00 0.00 0.00 176.54 174.63 2wrf h ILE 377 N -1.21 0.47 0.05 2.60 1.08 -1.05 0.16 117.51 119.61 2wrf h ILE 377 Ca -0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2wrf h ILE 377 Cb 0.78 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2wrf h ILE 377 CO 0.17 0.00 -0.03 0.74 -0.69 0.00 0.00 178.15 178.34 2wrf h THR 378 N 0.00 1.13 -0.22 -0.27 2.02 -1.33 -2.18 112.91 112.07 2wrf h THR 378 Ca 0.39 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.96 2wrf h THR 378 Cb 1.68 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 2wrf h THR 378 CO -0.00 0.16 0.15 0.78 0.37 0.00 0.00 175.52 176.97 2wrf h ASN 379 N -0.35 0.18 -0.06 4.18 4.21 -0.56 0.41 115.58 123.59 2wrf h ASN 379 Ca -0.01 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 2wrf h ASN 379 Cb 0.31 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2wrf h ASN 379 CO 0.01 0.12 0.02 0.50 -1.29 0.00 0.00 177.43 176.80 2wrf h LYS 380 N 0.21 0.10 -0.82 0.81 3.64 -1.17 0.94 116.57 120.28 2wrf h LYS 380 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2wrf h LYS 380 Cb 0.10 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2wrf h LYS 380 CO -0.02 0.25 0.48 0.28 -2.27 0.00 0.00 179.45 178.17 2wrf h VAL 381 N -0.08 1.24 -0.03 2.00 2.07 -0.65 -2.30 116.25 118.50 2wrf h VAL 381 Ca 0.02 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2wrf h VAL 381 Cb 0.19 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2wrf h VAL 381 CO -0.00 0.25 -0.00 0.78 0.02 0.00 0.00 177.57 178.62 2wrf h ASN 382 N 1.14 0.05 -0.29 0.57 2.35 -0.80 -2.44 115.58 116.15 2wrf h ASN 382 Ca 0.29 -0.34 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2wrf h ASN 382 Cb -0.01 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.27 2wrf h ASN 382 CO -0.05 0.38 -0.23 0.28 -1.65 0.00 0.00 177.43 176.15 2wrf h SER 383 N -0.27 -0.76 -1.04 5.81 0.02 -0.77 1.75 113.55 118.29 2wrf h SER 383 Ca 0.01 0.15 0.26 0.00 -0.84 0.00 0.00 61.79 61.37 2wrf h SER 383 Cb 0.35 0.37 -0.10 0.00 0.14 0.00 0.00 62.40 63.16 2wrf h SER 383 CO 0.00 -0.27 0.66 0.58 -1.14 0.00 0.00 176.83 176.66 2wrf h VAL 384 N -0.21 0.52 0.00 2.27 2.07 -1.36 -2.75 116.25 116.80 2wrf h VAL 384 Ca 0.15 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wrf h VAL 384 Cb 0.45 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2wrf h VAL 384 CO -0.42 0.08 -0.01 0.40 0.02 0.00 0.00 177.57 177.64 2wrf h ILE 385 N 0.44 0.00 0.00 4.57 2.04 -0.13 -3.41 117.51 121.02 2wrf h ILE 385 Ca 0.61 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.44 2wrf h ILE 385 Cb 1.45 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2wrf h ILE 385 CO -0.34 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 177.96 2wrf h GLU 386 N -0.03 0.00 0.00 2.37 5.08 0.24 -0.76 114.58 121.48 2wrf h GLU 386 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wrf h GLU 386 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2wrf h GLU 386 CO 0.00 0.00 -0.63 1.63 -1.00 0.00 0.00 179.01 179.01 2wrf n LYS 387 N -2.77 0.07 -1.71 2.33 5.02 -1.04 -4.87 118.16 115.20 2wrf n LYS 387 Ca -0.02 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 2wrf n LYS 387 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2wrf n LYS 387 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2wrf n MET 388 N -1.63 2.50 -3.16 1.97 1.56 -0.29 -4.98 117.12 113.09 2wrf n MET 388 Ca 0.05 0.90 -0.39 0.00 -0.27 0.00 0.00 57.70 57.99 2wrf n MET 388 Cb 0.36 -2.68 -0.06 0.00 2.15 0.00 0.00 33.22 32.99 2wrf n MET 388 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2wrf s ASN 389 N 0.82 7.11 -0.09 6.12 3.04 -1.26 -5.07 114.94 125.61 2wrf s ASN 389 Ca 0.72 1.32 -0.03 0.00 0.04 0.00 0.00 52.86 54.91 2wrf s ASN 389 Cb -0.57 -2.40 0.05 0.00 -1.54 0.00 0.00 41.25 36.79 2wrf s ASN 389 CO 0.40 0.17 0.13 0.28 -3.04 0.00 0.00 177.10 175.04 2wrf s THR 390 N -0.67 -0.20 0.49 -5.21 -1.32 -1.26 -4.87 115.64 102.59 2wrf s THR 390 Ca 0.32 0.30 0.02 0.00 -1.21 0.00 0.00 61.69 61.12 2wrf s THR 390 Cb -0.20 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 2wrf s THR 390 CO 0.20 0.09 0.00 -1.10 -2.21 0.00 0.00 174.62 171.61 2wrf s GLN 391 N 2.24 2.15 0.14 7.08 -0.21 -1.26 -5.02 119.66 124.77 2wrf s GLN 391 Ca 0.04 -2.34 -0.28 0.00 0.02 0.00 0.00 55.36 52.79 2wrf s GLN 391 Cb -0.13 -1.55 -0.07 0.00 1.00 0.00 0.00 33.01 32.27 2wrf s GLN 391 CO -0.06 -0.30 0.89 0.12 -2.12 0.00 0.00 175.29 173.82 2wrf s PHE 392 N -2.85 3.86 -0.28 0.91 5.36 -1.26 -4.41 117.98 119.32 2wrf s PHE 392 Ca 0.12 1.74 -0.22 0.00 -0.96 0.00 0.00 56.93 57.61 2wrf s PHE 392 Cb 0.03 -2.94 0.09 0.00 -0.34 0.00 0.00 43.02 39.86 2wrf s PHE 392 CO 0.06 0.34 0.79 -1.21 -1.46 0.00 0.00 175.22 173.74 2wrf s GLU 393 N -0.51 0.72 -0.18 10.12 8.01 -1.15 -5.04 118.70 130.66 2wrf s GLU 393 Ca 0.42 0.95 -0.08 0.00 0.01 0.00 0.00 54.97 56.27 2wrf s GLU 393 Cb -0.23 0.30 -0.04 0.00 -4.31 0.00 0.00 34.13 29.84 2wrf s GLU 393 CO 0.29 -0.10 0.09 0.00 0.01 0.00 0.00 175.26 175.54 2wrf s ALA 394 N 0.68 3.51 -0.12 5.21 0.00 -1.26 -3.65 121.76 126.14 2wrf s ALA 394 Ca -0.02 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 2wrf s ALA 394 Cb -0.05 -1.99 -0.26 0.00 0.00 0.00 0.00 23.12 20.82 2wrf s ALA 394 CO -0.06 0.20 0.38 0.28 0.00 0.00 0.00 175.76 176.55 2wrf n VAL 395 N 3.45 1.79 -3.16 0.00 0.31 -1.22 -4.88 118.33 114.61 2wrf n VAL 395 Ca -0.17 -0.64 -0.39 0.00 -0.01 0.00 0.00 64.34 63.13 2wrf n VAL 395 Cb 0.52 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 2wrf n VAL 395 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2wrf s GLY 396 N -5.55 2.37 0.49 2.92 0.00 -1.26 -5.02 107.32 101.27 2wrf s GLY 396 Ca -0.22 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.42 2wrf s GLY 396 CO 0.77 1.08 0.01 -1.59 0.00 0.00 0.00 173.10 173.37 2wrf s LYS 397 N 1.08 2.15 -0.02 2.90 0.00 -1.26 -4.58 119.74 120.00 2wrf s LYS 397 Ca 0.31 -2.34 0.04 0.00 0.00 0.00 0.00 55.97 53.98 2wrf s LYS 397 Cb -0.16 -1.56 -0.03 0.00 0.00 0.00 0.00 37.83 36.08 2wrf s LYS 397 CO 0.13 -0.30 -0.13 -1.21 0.00 0.00 0.00 175.35 173.85 2wrf s GLU 398 N -3.85 2.43 0.00 1.78 0.41 -1.26 -5.13 118.70 113.09 2wrf s GLU 398 Ca 0.12 -0.76 0.02 0.00 -0.41 0.00 0.00 54.97 53.94 2wrf s GLU 398 Cb 0.03 -2.38 -0.01 0.00 -1.78 0.00 0.00 34.13 30.00 2wrf s GLU 398 CO 0.06 0.60 -0.06 -0.06 -0.49 0.00 0.00 175.26 175.32 2wrf s PHE 399 N -0.85 0.52 0.92 1.61 0.08 -1.26 -4.93 117.98 114.08 2wrf s PHE 399 Ca 0.14 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 2wrf s PHE 399 Cb -0.11 -0.33 0.14 0.00 -0.57 0.00 0.00 43.02 42.15 2wrf s PHE 399 CO 0.03 -0.02 1.12 -1.54 -0.10 0.00 0.00 175.22 174.71 2wrf s SER 400 N -0.36 3.38 0.60 1.36 1.04 -1.26 -4.89 113.70 113.56 2wrf s SER 400 Ca 0.00 1.09 0.38 0.00 0.48 0.00 0.00 55.95 57.89 2wrf s SER 400 Cb -0.03 -1.71 1.91 0.00 0.10 0.00 0.00 66.02 66.29 2wrf s SER 400 CO -0.00 -2.65 2.20 -1.13 0.98 0.00 0.00 173.24 172.64 2wrf h ASN 401 N -1.56 0.00 -0.56 7.02 -1.24 -2.03 -1.00 115.58 116.21 2wrf h ASN 401 Ca -0.51 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.42 2wrf h ASN 401 Cb 1.32 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.33 2wrf h ASN 401 CO 0.60 0.02 0.08 0.18 -1.29 0.00 0.00 177.43 177.03 2wrf n LEU 402 N -3.23 5.47 -0.82 0.34 7.99 -1.26 -4.15 117.00 121.34 2wrf n LEU 402 Ca -0.02 -3.07 0.05 0.00 -0.01 0.00 0.00 56.01 52.96 2wrf n LEU 402 Cb 0.17 -0.68 0.17 0.00 -0.11 0.00 0.00 43.42 42.97 2wrf n LEU 402 CO 0.24 0.72 0.29 -0.62 -1.51 0.00 0.00 177.39 176.51 2wrf n GLU 403 N 0.10 1.29 -0.02 3.23 1.02 -0.38 -4.85 120.64 121.04 2wrf n GLU 403 Ca 0.31 -3.05 -0.09 0.00 -0.02 0.00 0.00 57.16 54.32 2wrf n GLU 403 Cb 1.20 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.31 2wrf n GLU 403 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wrf h LYS 404 N 1.03 -0.15 -0.04 3.49 6.56 -1.72 0.34 116.57 126.07 2wrf h LYS 404 Ca -0.04 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2wrf h LYS 404 Cb 1.20 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2wrf h LYS 404 CO 0.03 -0.10 -0.07 0.00 -2.06 0.00 0.00 179.45 177.25 2wrf h ARG 405 N -0.15 -0.10 -0.50 3.15 3.08 -1.95 0.20 114.38 118.10 2wrf h ARG 405 Ca 0.10 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.23 2wrf h ARG 405 Cb 0.30 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2wrf h ARG 405 CO -0.25 -0.07 0.16 1.25 -1.07 0.00 0.00 179.97 179.99 2wrf h LEU 406 N -0.11 0.14 -0.99 3.04 5.85 -1.88 0.18 115.31 121.54 2wrf h LEU 406 Ca 0.04 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2wrf h LEU 406 Cb 0.17 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2wrf h LEU 406 CO -0.11 0.11 0.33 -0.08 -0.34 0.00 0.00 178.44 178.35 2wrf h GLU 407 N 0.33 1.05 -0.32 1.25 4.81 -0.32 -1.91 114.58 119.47 2wrf h GLU 407 Ca 0.24 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2wrf h GLU 407 Cb 0.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wrf h GLU 407 CO -0.26 0.82 -0.18 -0.97 -0.73 0.00 0.00 179.01 177.69 2wrf h ASN 408 N 1.04 0.71 -0.98 1.04 -1.24 0.07 -1.58 115.58 114.64 2wrf h ASN 408 Ca 0.25 -0.42 0.12 0.00 0.71 0.00 0.00 56.30 56.97 2wrf h ASN 408 Cb 0.14 -0.20 -0.09 0.00 0.73 0.00 0.00 38.32 38.90 2wrf h ASN 408 CO -0.03 0.97 0.61 0.25 -1.29 0.00 0.00 177.43 177.95 2wrf h LEU 409 N 0.46 0.89 -0.70 0.34 5.85 -0.28 0.16 115.31 122.03 2wrf h LEU 409 Ca 0.07 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2wrf h LEU 409 Cb 0.72 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2wrf h LEU 409 CO 0.05 0.46 -0.63 -1.13 -0.34 0.00 0.00 178.44 176.86 2wrf h ASN 410 N 0.95 0.11 0.07 1.25 -1.24 -1.15 -2.05 115.58 113.52 2wrf h ASN 410 Ca 0.49 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.43 2wrf h ASN 410 Cb 0.50 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2wrf h ASN 410 CO -0.27 0.71 -0.03 0.50 -1.29 0.00 0.00 177.43 177.04 2wrf h LYS 411 N 0.07 -0.09 -0.28 6.67 3.64 -0.08 -2.43 116.57 124.07 2wrf h LYS 411 Ca -0.01 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2wrf h LYS 411 Cb 1.12 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2wrf h LYS 411 CO 0.09 0.43 0.21 -0.22 -2.27 0.00 0.00 179.45 177.69 2wrf h LYS 412 N -0.68 0.00 -0.23 1.90 3.64 -0.77 -0.45 116.57 119.98 2wrf h LYS 412 Ca -0.01 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2wrf h LYS 412 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2wrf h LYS 412 CO 0.02 0.00 -0.27 1.98 -2.27 0.00 0.00 179.45 178.91 2wrf h MET 413 N 0.00 0.59 0.03 1.90 4.05 -1.28 -0.30 114.93 119.92 2wrf h MET 413 Ca 0.13 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.23 2wrf h MET 413 Cb 0.56 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2wrf h MET 413 CO -0.00 0.92 -0.02 0.93 0.23 0.00 0.00 176.91 178.98 2wrf h GLU 414 N 0.29 -0.04 -0.72 0.39 4.39 -0.66 -2.53 114.58 115.70 2wrf h GLU 414 Ca 0.03 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.81 2wrf h GLU 414 Cb 0.83 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2wrf h GLU 414 CO 0.06 0.12 0.40 -0.44 -1.16 0.00 0.00 179.01 177.99 2wrf h ASP 415 N -0.19 0.58 -0.40 1.42 3.32 -1.20 -0.70 116.42 119.25 2wrf h ASP 415 Ca -0.00 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.16 2wrf h ASP 415 Cb 0.17 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 2wrf h ASP 415 CO 0.01 0.36 -0.10 1.23 -1.72 0.00 0.00 179.24 179.02 2wrf h GLY 416 N 0.71 0.29 2.00 2.75 0.00 -0.74 0.91 103.07 108.99 2wrf h GLY 416 Ca 0.33 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 2wrf h GLY 416 CO -0.21 -0.15 -0.22 0.74 0.00 0.00 0.00 176.54 176.70 2wrf h PHE 417 N 0.00 0.00 -0.16 5.60 0.04 -1.03 -2.65 116.94 118.74 2wrf h PHE 417 Ca 0.19 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 2wrf h PHE 417 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2wrf h PHE 417 CO -0.35 0.22 -0.34 1.25 -0.60 0.00 0.00 178.31 178.48 2wrf h LEU 418 N 0.00 0.58 -1.22 1.54 5.85 0.44 -0.46 115.31 122.04 2wrf h LEU 418 Ca -0.00 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 2wrf h LEU 418 Cb 0.78 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2wrf h LEU 418 CO 0.03 1.03 -0.07 0.44 -0.34 0.00 0.00 178.44 179.53 2wrf h ASP 419 N 0.16 0.42 0.26 1.25 3.32 -0.80 -0.79 116.42 120.24 2wrf h ASP 419 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2wrf h ASP 419 Cb 0.94 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2wrf h ASP 419 CO 0.08 0.54 -0.12 0.58 -1.72 0.00 0.00 179.24 178.60 2wrf h VAL 420 N 0.42 0.57 0.00 -1.35 2.07 -1.37 -2.12 116.25 114.47 2wrf h VAL 420 Ca 0.09 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2wrf h VAL 420 Cb 0.40 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2wrf h VAL 420 CO 0.02 0.14 -0.02 -0.50 0.02 0.00 0.00 177.57 177.23 2wrf h TRP 421 N -0.93 0.00 0.24 1.57 4.06 -1.04 -0.22 115.95 119.63 2wrf h TRP 421 Ca -0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 2wrf h TRP 421 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2wrf h TRP 421 CO 0.05 0.02 -0.12 1.15 -3.56 0.00 0.00 178.44 175.98 2wrf h THR 422 N 0.00 0.00 -0.48 1.49 2.02 -1.14 -2.50 112.91 112.30 2wrf h THR 422 Ca -0.00 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.77 2wrf h THR 422 Cb 0.05 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.39 2wrf h THR 422 CO 0.00 0.00 -0.36 0.22 0.37 0.00 0.00 175.52 175.75 2wrf h TYR 423 N -0.78 -1.14 -0.79 3.16 3.20 -1.21 0.41 116.97 119.81 2wrf h TYR 423 Ca -0.03 0.07 0.14 0.00 3.14 0.00 0.00 58.73 62.04 2wrf h TYR 423 Cb 0.25 0.56 -0.14 0.00 1.54 0.00 0.00 36.73 38.94 2wrf h TYR 423 CO 0.02 -0.26 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.05 2wrf h ASN 424 N -0.10 -1.15 -0.38 -2.11 4.21 -1.15 -0.19 115.58 114.70 2wrf h ASN 424 Ca 0.08 0.26 -0.14 0.00 1.21 0.00 0.00 56.30 57.71 2wrf h ASN 424 Cb 0.30 0.62 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 2wrf h ASN 424 CO -0.50 -0.29 -0.30 0.00 -1.29 0.00 0.00 177.43 175.04 2wrf h ALA 425 N 1.34 0.55 -0.76 -0.83 0.00 -0.92 -1.00 119.26 117.65 2wrf h ALA 425 Ca 0.31 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wrf h ALA 425 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2wrf h ALA 425 CO -0.83 0.59 0.47 1.49 0.00 0.00 0.00 179.25 180.97 2wrf h GLU 426 N 0.69 1.02 0.13 0.00 4.57 0.12 -2.37 114.58 118.74 2wrf h GLU 426 Ca 0.07 -0.08 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 2wrf h GLU 426 Cb 0.89 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2wrf h GLU 426 CO 0.08 0.71 -0.85 -0.07 -1.18 0.00 0.00 179.01 177.70 2wrf h LEU 427 N 1.05 0.52 -1.90 1.64 3.38 -1.05 -3.06 115.31 115.88 2wrf h LEU 427 Ca 0.28 -0.93 0.23 0.00 0.09 0.00 0.00 57.88 57.55 2wrf h LEU 427 Cb -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2wrf h LEU 427 CO -0.05 1.40 0.67 0.25 0.09 0.00 0.00 178.44 180.80 2wrf h LEU 428 N -0.28 0.00 0.02 1.67 5.85 -1.02 0.18 115.31 121.73 2wrf h LEU 428 Ca -0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2wrf h LEU 428 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 2wrf h LEU 428 CO 0.16 0.00 -0.01 0.58 -0.34 0.00 0.00 178.44 178.83 2wrf h VAL 429 N 0.00 1.45 0.00 1.05 2.07 -1.48 -3.38 116.25 115.96 2wrf h VAL 429 Ca 0.38 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2wrf h VAL 429 Cb 1.72 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2wrf h VAL 429 CO -0.00 0.43 0.00 0.18 0.02 0.00 0.00 177.57 178.20 2wrf n LEU 430 N -4.73 0.00 -4.45 2.57 4.77 0.48 -2.58 117.00 113.06 2wrf n LEU 430 Ca -0.09 0.83 -0.34 0.00 -0.03 0.00 0.00 56.01 56.38 2wrf n LEU 430 Cb 0.36 -0.33 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2wrf n LEU 430 CO 0.31 -0.33 0.02 0.23 -1.33 0.00 0.00 177.39 176.28 2wrf n MET 431 N -1.74 -0.04 0.00 3.23 2.81 -0.28 -1.74 117.12 119.36 2wrf n MET 431 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2wrf n MET 431 Cb 0.00 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 2wrf n MET 431 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wrf n GLU 432 N -1.43 0.00 -0.11 0.03 -0.58 -1.26 -4.58 120.64 112.72 2wrf n GLU 432 Ca 0.08 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 2wrf n GLU 432 Cb 0.52 -0.88 -0.11 0.00 -0.57 0.00 0.00 31.44 30.40 2wrf n GLU 432 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wrf n ASN 433 N 0.12 1.93 0.33 1.62 4.13 -0.71 -2.26 115.26 120.42 2wrf n ASN 433 Ca 0.00 0.33 0.18 0.00 1.68 0.00 0.00 54.58 56.77 2wrf n ASN 433 Cb 0.00 -0.87 0.94 0.00 -1.54 0.00 0.00 39.78 38.31 2wrf n ASN 433 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2wrf h GLU 434 N -0.82 0.00 0.00 3.52 4.57 -1.67 -0.96 114.58 119.22 2wrf h GLU 434 Ca -0.50 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.33 2wrf h GLU 434 Cb 1.53 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.05 2wrf h GLU 434 CO -0.25 0.00 -2.32 -1.33 -1.18 0.00 0.00 179.01 173.93 2wrf n MET 435 N -2.98 0.84 -0.07 1.92 2.81 -1.26 -3.46 117.12 114.93 2wrf n MET 435 Ca -0.02 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.75 2wrf n MET 435 Cb 0.29 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 2wrf n MET 435 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2wrf h THR 436 N 0.00 1.30 0.74 2.03 2.02 -0.98 -2.40 112.91 115.62 2wrf h THR 436 Ca -0.52 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 2wrf h THR 436 Cb 2.16 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2wrf h THR 436 CO 0.02 0.34 -0.41 -0.07 0.37 0.00 0.00 175.52 175.77 2wrf h LEU 437 N 0.14 -1.02 -1.26 2.58 4.07 -1.38 -2.07 115.31 116.37 2wrf h LEU 437 Ca 0.05 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2wrf h LEU 437 Cb 0.56 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2wrf h LEU 437 CO 0.03 -0.66 0.00 0.47 -1.08 0.00 0.00 178.44 177.19 2wrf n ASP 438 N -5.56 0.50 -0.03 -0.43 8.00 -1.22 -1.04 116.55 116.76 2wrf n ASP 438 Ca -0.14 0.73 -0.13 0.00 0.71 0.00 0.00 54.79 55.95 2wrf n ASP 438 Cb 0.44 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 2wrf n ASP 438 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2wrf h PHE 439 N 0.00 0.07 0.31 1.24 3.57 -0.84 -2.00 116.94 119.29 2wrf h PHE 439 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wrf h PHE 439 Cb 0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2wrf h PHE 439 CO 0.00 0.66 -0.21 0.45 -2.23 0.00 0.00 178.31 176.98 2wrf h HIS 440 N -0.55 -0.54 -0.98 0.41 3.86 -0.68 0.32 115.15 116.99 2wrf h HIS 440 Ca -0.00 -0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.48 2wrf h HIS 440 Cb 0.66 0.19 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 2wrf h HIS 440 CO 0.14 -0.32 0.69 0.22 0.86 0.00 0.00 177.93 179.52 2wrf h ASP 441 N -0.51 0.11 1.36 2.45 3.58 -1.40 0.57 116.42 122.58 2wrf h ASP 441 Ca -0.03 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2wrf h ASP 441 Cb 0.43 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2wrf h ASP 441 CO 0.02 0.03 -0.67 -1.28 -2.88 0.00 0.00 179.24 174.47 2wrf h SER 442 N 0.10 0.00 0.03 2.28 0.87 -0.55 -2.83 113.55 113.46 2wrf h SER 442 Ca 0.48 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.86 2wrf h SER 442 Cb 1.74 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2wrf h SER 442 CO -0.07 0.33 -0.65 0.78 -0.53 0.00 0.00 176.83 176.70 2wrf h ASN 443 N 0.00 0.68 0.13 6.23 2.35 0.22 -2.51 115.58 122.68 2wrf h ASN 443 Ca -0.04 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 2wrf h ASN 443 Cb 1.29 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2wrf h ASN 443 CO 0.04 1.15 -0.06 0.58 -1.65 0.00 0.00 177.43 177.49 2wrf h VAL 444 N 0.43 0.00 0.00 2.81 2.07 -1.29 -2.34 116.25 117.93 2wrf h VAL 444 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wrf h VAL 444 Cb 1.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2wrf h VAL 444 CO 0.12 0.00 0.26 1.17 0.02 0.00 0.00 177.57 179.14 2wrf n LYS 445 N -2.69 0.07 0.06 1.57 3.00 -1.07 0.17 118.16 119.28 2wrf n LYS 445 Ca -0.02 0.51 -0.03 0.00 -0.00 0.00 0.00 58.31 58.77 2wrf n LYS 445 Cb 0.07 -1.99 -0.08 0.00 0.00 0.00 0.00 35.03 33.03 2wrf n LYS 445 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2wrf h ASN 446 N 0.00 0.00 0.21 3.14 4.21 -1.36 -3.25 115.58 118.53 2wrf h ASN 446 Ca 0.00 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.23 2wrf h ASN 446 Cb 0.52 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.75 2wrf h ASN 446 CO 0.00 0.79 -1.23 0.25 -1.29 0.00 0.00 177.43 175.94 2wrf h LEU 447 N 0.00 0.72 -1.99 1.61 5.85 0.22 -2.55 115.31 119.16 2wrf h LEU 447 Ca -0.09 -0.93 0.05 0.00 0.84 0.00 0.00 57.88 57.76 2wrf h LEU 447 Cb 1.68 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2wrf h LEU 447 CO 0.09 1.60 0.38 0.22 -0.34 0.00 0.00 178.44 180.38 2wrf h TYR 448 N -0.04 0.00 0.00 1.25 3.20 -1.19 -0.91 116.97 119.28 2wrf h TYR 448 Ca -0.21 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.33 2wrf h TYR 448 Cb 1.97 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 40.18 2wrf h TYR 448 CO 0.15 0.00 -2.20 -0.25 -1.64 0.00 0.00 178.16 174.22 2wrf n ASP 449 N -3.28 0.19 0.29 -2.11 8.00 -1.20 -2.52 116.55 115.93 2wrf n ASP 449 Ca 0.02 0.09 0.17 0.00 0.71 0.00 0.00 54.79 55.78 2wrf n ASP 449 Cb 0.48 0.83 0.91 0.00 -0.02 0.00 0.00 41.12 43.33 2wrf n ASP 449 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2wrf h LYS 450 N 0.00 0.00 0.00 -1.24 3.64 -0.75 -1.39 116.57 116.83 2wrf h LYS 450 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2wrf h LYS 450 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2wrf h LYS 450 CO 0.04 0.04 -0.25 0.28 -2.27 0.00 0.00 179.45 177.30 2wrf n VAL 451 N -3.45 0.66 -0.39 2.00 0.31 -0.85 -3.95 118.33 112.67 2wrf n VAL 451 Ca -0.02 0.37 0.33 0.00 -0.01 0.00 0.00 64.34 65.00 2wrf n VAL 451 Cb 0.16 -1.92 0.59 0.00 -0.91 0.00 0.00 33.84 31.77 2wrf n VAL 451 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrf h ARG 452 N -0.47 0.11 0.00 5.55 2.43 -1.51 0.73 114.38 121.23 2wrf h ARG 452 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wrf h ARG 452 Cb 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2wrf h ARG 452 CO 0.00 0.08 -0.09 -1.33 -1.51 0.00 0.00 179.97 177.11 2wrf n MET 453 N -4.92 0.08 -0.04 0.20 2.81 -0.53 -0.81 117.12 113.90 2wrf n MET 453 Ca 0.36 0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2wrf n MET 453 Cb 1.29 -1.58 -0.13 0.00 -0.71 0.00 0.00 33.22 32.09 2wrf n MET 453 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2wrf h GLN 454 N 0.00 0.13 0.02 0.03 4.20 0.31 -3.41 115.11 116.37 2wrf h GLN 454 Ca 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 2wrf h GLN 454 Cb 0.57 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2wrf h GLN 454 CO 0.00 1.10 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.18 2wrf h LEU 455 N -0.61 -0.02 0.00 1.46 4.07 -1.24 -3.43 115.31 115.54 2wrf h LEU 455 Ca -0.30 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.03 2wrf h LEU 455 Cb 1.53 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.27 2wrf h LEU 455 CO -0.05 0.64 0.00 0.54 -1.08 0.00 0.00 178.44 178.49 2wrf n ARG 456 N -4.78 0.00 0.00 1.13 1.74 0.01 -1.93 116.66 112.83 2wrf n ARG 456 Ca -0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 2wrf n ARG 456 Cb 0.32 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 32.01 2wrf n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wrf n ASP 457 N 9.49 1.66 0.10 0.55 3.85 -1.26 -3.93 116.55 127.00 2wrf n ASP 457 Ca 0.00 -1.32 0.07 0.00 -0.71 0.00 0.00 54.79 52.83 2wrf n ASP 457 Cb 0.00 0.21 0.37 0.00 -1.35 0.00 0.00 41.12 40.35 2wrf n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wrf n ASN 458 N -0.08 0.35 -3.80 -1.12 4.13 -0.81 -4.72 115.26 109.22 2wrf n ASN 458 Ca 0.13 0.65 -0.10 0.00 1.68 0.00 0.00 54.58 56.94 2wrf n ASN 458 Cb 0.42 -0.70 -0.06 0.00 -1.54 0.00 0.00 39.78 37.90 2wrf n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wrf s VAL 459 N -3.31 0.08 0.07 2.41 -7.23 -1.25 -1.52 120.40 109.65 2wrf s VAL 459 Ca -0.00 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2wrf s VAL 459 Cb 0.05 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 2wrf s VAL 459 CO 0.16 -0.36 0.30 -1.59 -0.31 0.00 0.00 175.10 173.30 2wrf s LYS 460 N -3.88 3.56 -0.64 4.82 -2.85 0.96 -4.83 119.74 116.89 2wrf s LYS 460 Ca 0.09 -0.17 -0.15 0.00 -1.00 0.00 0.00 55.97 54.73 2wrf s LYS 460 Cb 0.02 -2.98 0.16 0.00 -2.06 0.00 0.00 37.83 32.98 2wrf s LYS 460 CO -0.07 0.57 0.59 -2.00 0.10 0.00 0.00 175.35 174.55 2wrf s GLU 461 N -2.29 3.21 0.62 1.78 2.12 -1.26 -0.63 118.70 122.23 2wrf s GLU 461 Ca 0.35 -1.98 0.34 0.00 0.36 0.00 0.00 54.97 54.04 2wrf s GLU 461 Cb -0.13 -4.34 1.97 0.00 0.26 0.00 0.00 34.13 31.89 2wrf s GLU 461 CO 0.22 -1.32 2.25 -0.07 -0.54 0.00 0.00 175.26 175.81 2wrf h LEU 462 N 8.49 0.00 0.00 2.70 4.07 -1.55 -3.46 115.31 125.56 2wrf h LEU 462 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2wrf h LEU 462 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2wrf h LEU 462 CO 0.94 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.91 2wrf n GLY 463 N -1.26 0.63 0.25 0.83 0.00 -1.26 -4.85 105.19 99.54 2wrf n GLY 463 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2wrf n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wrf n ASN 464 N 0.00 2.04 0.00 1.61 6.94 -1.26 -4.84 115.26 119.75 2wrf n ASN 464 Ca 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 2wrf n ASN 464 Cb 0.00 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2wrf n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wrf n GLY 465 N 0.08 2.72 3.87 4.83 0.00 -1.26 -4.42 105.19 111.00 2wrf n GLY 465 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2wrf n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrf s PHE 467 N -1.54 2.68 -0.23 0.00 0.08 1.91 -1.27 117.98 119.60 2wrf s PHE 467 Ca 0.38 -0.23 -0.06 0.00 0.12 0.00 0.00 56.93 57.15 2wrf s PHE 467 Cb -0.13 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2wrf s PHE 467 CO 0.20 0.13 0.02 -2.00 -0.10 0.00 0.00 175.22 173.47 2wrf s GLU 468 N -0.63 3.56 0.09 0.44 2.12 0.19 0.17 118.70 124.66 2wrf s GLU 468 Ca 0.09 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.58 2wrf s GLU 468 Cb -0.11 -3.17 -0.07 0.00 0.26 0.00 0.00 34.13 31.03 2wrf s GLU 468 CO 0.01 -0.15 1.37 -0.06 -0.54 0.00 0.00 175.26 175.90 2wrf s PHE 469 N 1.43 3.19 -0.10 5.30 0.08 -1.26 -0.03 117.98 126.60 2wrf s PHE 469 Ca 0.05 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.07 2wrf s PHE 469 Cb -0.15 -3.65 0.13 0.00 -0.57 0.00 0.00 43.02 38.77 2wrf s PHE 469 CO 0.01 -2.29 1.38 0.66 -0.10 0.00 0.00 175.22 174.87 2wrf n TYR 470 N 4.19 0.63 -3.31 0.36 4.01 -0.57 -4.87 117.16 117.59 2wrf n TYR 470 Ca 0.11 -0.92 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 2wrf n TYR 470 Cb 0.43 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2wrf n TYR 470 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 2wrf n HIS 471 N 0.36 -0.09 -3.76 -0.72 1.44 -1.26 -4.36 115.22 106.83 2wrf n HIS 471 Ca 0.12 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.47 2wrf n HIS 471 Cb 0.69 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.74 2wrf n HIS 471 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2wrf s LYS 472 N -0.49 3.76 -0.35 -1.40 -0.14 -1.26 -5.06 119.74 114.79 2wrf s LYS 472 Ca 0.00 -0.07 -0.00 0.00 -1.36 0.00 0.00 55.97 54.54 2wrf s LYS 472 Cb 0.00 -3.27 0.12 0.00 -1.68 0.00 0.00 37.83 33.00 2wrf s LYS 472 CO 0.00 0.60 0.18 0.00 -0.76 0.00 0.00 175.35 175.37 2wrf s ASP 474 N 1.20 0.65 0.00 0.00 3.84 -1.26 -4.51 116.67 116.59 2wrf s ASP 474 Ca 0.15 1.10 0.02 0.00 -0.00 0.00 0.00 52.55 53.82 2wrf s ASP 474 Cb -0.21 -1.67 0.10 0.00 -1.38 0.00 0.00 42.92 39.77 2wrf s ASP 474 CO -0.11 -4.34 0.41 0.47 -0.00 0.00 0.00 175.17 171.60 2wrf n ASP 475 N -4.97 0.00 -0.02 2.11 9.92 -1.26 -1.20 116.55 121.13 2wrf n ASP 475 Ca 0.07 -0.47 0.02 0.00 -0.53 0.00 0.00 54.79 53.88 2wrf n ASP 475 Cb 0.57 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.99 2wrf n ASP 475 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wrf n GLU 476 N -0.60 1.02 0.00 -1.24 4.07 -1.26 -3.96 120.64 118.67 2wrf n GLU 476 Ca 0.01 -0.06 -0.19 0.00 -0.06 0.00 0.00 57.16 56.87 2wrf n GLU 476 Cb 0.01 -1.21 -0.14 0.00 -0.06 0.00 0.00 31.44 30.04 2wrf n GLU 476 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wrf h MET 478 N -0.57 -0.63 0.00 0.00 2.86 -1.52 0.11 114.93 115.19 2wrf h MET 478 Ca -0.14 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2wrf h MET 478 Cb 1.47 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.27 2wrf h MET 478 CO 0.08 -0.42 0.50 -0.97 1.06 0.00 0.00 176.91 177.16 2wrf h ASN 479 N -0.65 0.00 0.97 1.22 -1.24 -1.70 0.14 115.58 114.32 2wrf h ASN 479 Ca -0.01 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.81 2wrf h ASN 479 Cb 0.66 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 2wrf h ASN 479 CO -0.25 0.00 -1.09 0.77 -1.29 0.00 0.00 177.43 175.57 2wrf h SER 480 N 0.00 0.00 0.02 1.15 4.64 -0.85 -1.29 113.55 117.23 2wrf h SER 480 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wrf h SER 480 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2wrf h SER 480 CO 0.00 0.79 -0.01 0.58 -0.87 0.00 0.00 176.83 177.32 2wrf h VAL 481 N 0.00 1.37 -0.89 0.95 2.07 -0.30 -1.76 116.25 117.68 2wrf h VAL 481 Ca -0.09 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.20 2wrf h VAL 481 Cb 1.68 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 33.61 2wrf h VAL 481 CO 0.09 0.32 0.58 0.11 0.02 0.00 0.00 177.57 178.69 2wrf h LYS 482 N -0.59 1.04 0.00 1.57 1.57 -1.67 -1.39 116.57 117.10 2wrf h LYS 482 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wrf h LYS 482 Cb 0.55 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2wrf h LYS 482 CO 0.01 0.69 0.23 -0.97 -0.57 0.00 0.00 179.45 178.84 2wrf h ASN 483 N 1.07 0.00 0.00 0.86 -0.73 -0.93 -3.44 115.58 112.42 2wrf h ASN 483 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 2wrf h ASN 483 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2wrf h ASN 483 CO -0.12 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.55 2wrf n GLY 484 N -1.23 1.97 2.98 1.57 0.00 -0.52 -4.97 105.19 104.99 2wrf n GLY 484 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2wrf n GLY 484 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wrf s THR 485 N -3.03 2.30 0.00 2.61 -4.23 -0.70 -5.01 115.64 107.59 2wrf s THR 485 Ca 0.00 -2.65 0.00 0.00 -1.18 0.00 0.00 61.69 57.86 2wrf s THR 485 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2wrf s THR 485 CO 0.00 -0.68 0.00 0.00 -0.54 0.00 0.00 174.62 173.40 2wrf n TYR 486 N 3.87 0.00 -2.70 3.99 9.36 -1.24 -4.41 117.16 126.04 2wrf n TYR 486 Ca 0.04 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 2wrf n TYR 486 Cb 0.38 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.15 2wrf n TYR 486 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2wrf n ASP 487 N 0.00 -1.91 0.22 2.98 4.64 -1.26 -5.02 116.55 116.20 2wrf n ASP 487 Ca 0.00 -2.14 0.06 0.00 -1.38 0.00 0.00 54.79 51.34 2wrf n ASP 487 Cb 0.00 1.09 0.52 0.00 -1.04 0.00 0.00 41.12 41.69 2wrf n ASP 487 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 2wrf h TYR 488 N 3.68 0.00 0.00 -0.67 3.20 -1.95 -2.55 116.97 118.68 2wrf h TYR 488 Ca -0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 2wrf h TYR 488 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2wrf h TYR 488 CO -0.06 0.21 0.00 -1.13 -1.64 0.00 0.00 178.16 175.54 2wrf n SER 489 N -4.10 1.25 0.00 -2.11 3.41 -1.26 -2.62 113.62 108.20 2wrf n SER 489 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2wrf n SER 489 Cb 0.28 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2wrf n SER 489 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wrf n LYS 490 N 0.08 0.00 0.00 4.33 4.81 -0.96 -4.77 118.16 121.64 2wrf n LYS 490 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2wrf n LYS 490 Cb 0.28 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.38 2wrf n LYS 490 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wrf n TYR 491 N -2.18 0.00 -0.12 5.64 4.01 -1.22 -1.82 117.16 121.48 2wrf n TYR 491 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2wrf n TYR 491 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2wrf n TYR 491 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2wrf h GLU 492 N 0.00 0.54 -5.70 -0.72 4.81 -1.77 -3.35 114.58 108.39 2wrf h GLU 492 Ca 0.00 -0.11 -0.28 0.00 -0.13 0.00 0.00 59.36 58.84 2wrf h GLU 492 Cb 0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2wrf h GLU 492 CO 0.00 0.54 0.73 -1.21 -0.73 0.00 0.00 179.01 178.34 2wrf s GLU 493 N -5.47 2.44 0.00 1.92 0.41 -0.75 -3.16 118.70 114.08 2wrf s GLU 493 Ca -0.13 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 2wrf s GLU 493 Cb 0.09 -4.95 0.00 0.00 -1.78 0.00 0.00 34.13 27.49 2wrf s GLU 493 CO 0.75 -3.44 0.00 -1.91 -0.49 0.00 0.00 175.26 170.17 2wrf n GLU 494 N 8.89 0.00 0.00 1.61 4.07 -1.26 -5.05 120.64 128.90 2wrf n GLU 494 Ca 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 2wrf n GLU 494 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 2wrf n GLU 494 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2wrf n SER 495 N 0.00 0.00 0.00 4.31 7.64 -1.19 -4.98 113.62 119.40 2wrf n SER 495 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wrf n SER 495 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wrf n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32