#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 0.18 5.25 0.28 0.00 1.01 -1.25 0.63 120.40 126.50 2wrf s VAL 9 Ca -0.12 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 2wrf s VAL 9 Cb -0.16 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.61 2wrf s VAL 9 CO 0.06 0.41 0.90 -0.83 0.00 0.00 0.00 175.10 175.64 2wrf s GLY 10 N 0.25 0.19 0.10 4.51 0.00 0.43 -4.91 107.32 107.88 2wrf s GLY 10 Ca 0.19 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 44.48 2wrf s GLY 10 CO 0.06 0.85 -0.13 -2.52 0.00 0.00 0.00 173.10 171.37 2wrf s TYR 11 N -2.42 1.25 0.45 1.90 -0.85 -1.26 0.26 117.35 116.69 2wrf s TYR 11 Ca 0.18 -0.54 -0.24 0.00 -0.52 0.00 0.00 57.07 55.94 2wrf s TYR 11 Cb -0.04 -0.68 -0.09 0.00 0.38 0.00 0.00 41.96 41.53 2wrf s TYR 11 CO 0.08 0.08 1.14 1.58 -1.52 0.00 0.00 175.55 176.91 2wrf n HIS 12 N 0.80 1.63 -4.18 -3.49 -0.00 0.29 -1.94 115.22 108.34 2wrf n HIS 12 Ca -0.18 0.51 -0.11 0.00 -0.00 0.00 0.00 57.72 57.95 2wrf n HIS 12 Cb 0.56 -2.29 -0.10 0.00 -0.00 0.00 0.00 29.99 28.16 2wrf n HIS 12 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2wrf s SER 13 N -0.72 1.15 0.17 0.26 0.15 -0.65 -4.69 113.70 109.37 2wrf s SER 13 Ca 0.64 -1.03 -0.15 0.00 0.70 0.00 0.00 55.95 56.12 2wrf s SER 13 Cb -0.51 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 2wrf s SER 13 CO 0.56 -0.48 0.71 -0.46 1.20 0.00 0.00 173.24 174.77 2wrf n ASN 14 N -0.07 -1.38 -2.02 5.45 0.23 -1.26 -4.40 115.26 111.81 2wrf n ASN 14 Ca -0.11 -1.79 -0.15 0.00 -0.53 0.00 0.00 54.58 52.00 2wrf n ASN 14 Cb 0.61 2.26 -0.07 0.00 -2.08 0.00 0.00 39.78 40.50 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 -1.18 5.79 -4.84 0.53 3.02 -1.26 -4.90 115.26 112.43 2wrf n ASN 15 Ca -0.03 -2.76 -0.37 0.00 -0.03 0.00 0.00 54.58 51.39 2wrf n ASN 15 Cb 0.43 -1.26 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 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 1.26 6.57 0.00 6.41 0.15 -1.26 -4.98 113.70 121.85 2wrf s SER 16 Ca 0.47 0.68 0.06 0.00 0.70 0.00 0.00 55.95 57.86 2wrf s SER 16 Cb 0.27 -2.16 0.09 0.00 -1.71 0.00 0.00 66.02 62.50 2wrf s SER 16 CO -0.06 0.32 0.86 0.35 1.20 0.00 0.00 173.24 175.91 2wrf n THR 17 N 2.18 0.37 -2.40 6.45 -2.24 -1.26 -4.82 114.28 112.56 2wrf n THR 17 Ca -0.16 -0.68 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 2wrf n THR 17 Cb 0.53 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.69 4.53 -0.02 -0.78 2.02 -1.26 -4.91 118.70 117.59 2wrf s GLU 18 Ca 0.09 1.86 0.01 0.00 0.02 0.00 0.00 54.97 56.96 2wrf s GLU 18 Cb 0.06 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 2wrf s GLU 18 CO 0.08 -0.00 -0.01 0.15 0.02 0.00 0.00 175.26 175.49 2wrf s LYS 19 N -0.65 2.79 0.22 1.61 3.01 -1.26 -1.51 119.74 123.95 2wrf s LYS 19 Ca 0.50 -0.58 0.08 0.00 -1.01 0.00 0.00 55.97 54.96 2wrf s LYS 19 Cb -0.33 -2.66 -0.05 0.00 -1.01 0.00 0.00 37.83 33.78 2wrf s LYS 19 CO 0.39 0.64 -0.14 0.14 0.51 0.00 0.00 175.35 176.88 2wrf s VAL 20 N -1.01 1.81 0.02 3.17 -7.23 -0.34 -4.91 120.40 111.90 2wrf s VAL 20 Ca 0.17 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2wrf s VAL 20 Cb -0.11 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2wrf s VAL 20 CO 0.08 -0.56 0.01 -1.81 -0.31 0.00 0.00 175.10 172.51 2wrf s ASP 21 N -3.34 5.14 0.41 4.85 1.11 -1.26 -0.92 116.67 122.65 2wrf s ASP 21 Ca 0.24 -0.04 0.01 0.00 0.18 0.00 0.00 52.55 52.94 2wrf s ASP 21 Cb -0.01 -1.32 -0.00 0.00 1.07 0.00 0.00 42.92 42.65 2wrf s ASP 21 CO 0.08 0.25 0.05 0.35 1.18 0.00 0.00 175.17 177.08 2wrf n THR 22 N 1.15 0.00 0.09 -1.27 -2.24 -0.53 -4.60 114.28 106.88 2wrf n THR 22 Ca -0.13 -2.06 -0.06 0.00 -2.27 0.00 0.00 64.05 59.53 2wrf n THR 22 Cb 0.52 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.36 1.58 0.00 2.28 2.10 -1.92 -3.30 117.51 119.61 2wrf h ILE 23 Ca -0.33 -2.84 0.00 0.00 1.08 0.00 0.00 64.86 62.77 2wrf h ILE 23 Cb 1.08 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.36 2wrf h ILE 23 CO 0.54 0.82 -1.02 0.18 -1.08 0.00 0.00 178.15 177.59 2wrf n LEU 24 N -3.56 0.69 -3.63 2.19 4.77 -1.26 -4.98 117.00 111.22 2wrf n LEU 24 Ca -0.01 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.62 2wrf n LEU 24 Cb 0.81 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.76 2wrf n LEU 24 CO 0.46 0.14 0.46 -0.70 -1.33 0.00 0.00 177.39 176.42 2wrf s GLU 25 N -3.11 0.79 0.36 3.23 2.12 -1.24 -5.17 118.70 115.67 2wrf s GLU 25 Ca 0.06 0.96 0.07 0.00 0.36 0.00 0.00 54.97 56.41 2wrf s GLU 25 Cb 0.16 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.91 2wrf s GLU 25 CO 0.82 -0.10 0.40 1.03 -0.54 0.00 0.00 175.26 176.87 2wrf s ARG 26 N 0.40 2.83 -1.69 4.30 1.81 -1.26 -1.45 118.95 123.89 2wrf s ARG 26 Ca 0.00 -1.24 -0.12 0.00 -1.72 0.00 0.00 55.73 52.66 2wrf s ARG 26 Cb -0.05 -2.61 0.11 0.00 -0.45 0.00 0.00 34.95 31.96 2wrf s ARG 26 CO -0.00 -0.01 0.37 0.09 -0.68 0.00 0.00 175.30 175.07 2wrf n ASN 27 N -1.55 -0.77 -4.70 0.23 3.02 -1.19 -4.89 115.26 105.42 2wrf n ASN 27 Ca 0.01 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 2wrf n ASN 27 Cb 0.59 -1.87 -0.03 0.00 -0.61 0.00 0.00 39.78 37.87 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 -3.77 4.43 0.06 2.41 1.01 -0.10 -4.78 120.40 119.66 2wrf s VAL 28 Ca 0.42 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.84 2wrf s VAL 28 Cb -0.24 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2wrf s VAL 28 CO 0.99 0.06 1.03 -0.89 0.00 0.00 0.00 175.10 176.30 2wrf s THR 29 N 1.61 4.49 0.12 3.92 2.01 -1.26 -1.20 115.64 125.33 2wrf s THR 29 Ca 0.54 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.50 2wrf s THR 29 Cb -0.24 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2wrf s THR 29 CO 0.24 0.21 -0.13 0.68 -0.69 0.00 0.00 174.62 174.94 2wrf s VAL 30 N 0.57 1.24 0.24 3.82 -7.23 -0.57 -1.65 120.40 116.82 2wrf s VAL 30 Ca 0.51 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2wrf s VAL 30 Cb -0.24 -1.50 0.22 0.00 0.56 0.00 0.00 36.38 35.43 2wrf s VAL 30 CO 0.30 -0.46 1.91 0.71 -0.31 0.00 0.00 175.10 177.25 2wrf h THR 31 N 3.51 1.24 -2.25 5.32 1.35 -1.20 -3.39 112.91 117.48 2wrf h THR 31 Ca -0.39 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 64.99 2wrf h THR 31 Cb 1.19 -0.12 -0.22 0.00 -1.73 0.00 0.00 68.15 67.27 2wrf h THR 31 CO 0.51 0.23 -0.03 -1.00 -0.25 0.00 0.00 175.52 174.98 2wrf s HIS 32 N -6.13 -0.74 0.00 4.73 0.09 -1.26 -4.74 115.29 107.24 2wrf s HIS 32 Ca -0.13 1.70 0.00 0.00 -0.00 0.00 0.00 55.06 56.63 2wrf s HIS 32 Cb 0.17 0.32 0.00 0.00 -0.00 0.00 0.00 32.58 33.07 2wrf s HIS 32 CO 0.81 -0.37 0.00 0.00 -0.00 0.00 0.00 174.74 175.18 2wrf n ALA 33 N 3.24 0.00 -3.65 -1.40 0.00 -1.26 0.32 120.51 117.76 2wrf n ALA 33 Ca -0.16 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 -1.70 0.63 -0.29 0.00 0.74 0.21 -4.75 119.66 114.50 2wrf s GLN 34 Ca 0.00 1.24 -0.25 0.00 0.05 0.00 0.00 55.36 56.40 2wrf s GLN 34 Cb 0.00 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.43 2wrf s GLN 34 CO 0.00 -0.17 0.87 0.34 -0.55 0.00 0.00 175.29 175.78 2wrf s ASP 35 N 1.97 6.79 0.00 6.67 2.15 -1.26 -0.26 116.67 132.73 2wrf s ASP 35 Ca -0.09 0.88 0.22 0.00 0.43 0.00 0.00 52.55 54.00 2wrf s ASP 35 Cb -0.07 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 2wrf s ASP 35 CO -0.19 -0.64 1.13 2.30 -0.17 0.00 0.00 175.17 177.60 2wrf n ILE 36 N 5.52 0.00 -3.64 4.11 -5.35 -0.55 -4.89 119.36 114.56 2wrf n ILE 36 Ca 0.06 -0.35 -0.40 0.00 -0.27 0.00 0.00 62.75 61.80 2wrf n ILE 36 Cb 0.48 1.34 -0.11 0.00 -1.74 0.00 0.00 39.64 39.60 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 -2.27 4.69 0.19 7.28 2.96 -1.24 -3.40 118.68 126.89 2wrf s LEU 37 Ca 0.21 -1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 2wrf s LEU 37 Cb 0.18 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 2wrf s LEU 37 CO 0.46 -0.39 1.39 -0.70 -1.32 0.00 0.00 176.35 175.79 2wrf s GLU 38 N 1.50 4.32 0.00 1.98 2.56 0.40 -4.87 118.70 124.59 2wrf s GLU 38 Ca 0.01 2.16 0.00 0.00 0.00 0.00 0.00 54.97 57.14 2wrf s GLU 38 Cb -0.20 -3.18 0.00 0.00 2.00 0.00 0.00 34.13 32.75 2wrf s GLU 38 CO 0.05 -0.37 0.27 1.63 -0.56 0.00 0.00 175.26 176.28 2wrf n LYS 39 N 2.98 0.82 -4.54 4.30 5.02 -1.26 -2.58 118.16 122.90 2wrf n LYS 39 Ca 0.08 -0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 55.88 2wrf n LYS 39 Cb 0.42 -0.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.19 1.21 0.15 -0.18 -1.32 -1.26 -4.87 115.64 109.17 2wrf s THR 40 Ca 0.00 -0.86 0.10 0.00 -1.21 0.00 0.00 61.69 59.72 2wrf s THR 40 Cb 0.00 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2wrf s THR 40 CO 0.00 0.18 -0.23 -1.38 -2.21 0.00 0.00 174.62 170.98 2wrf s HIS 41 N -0.61 2.06 0.28 9.09 -3.43 -1.26 -4.69 115.29 116.73 2wrf s HIS 41 Ca 0.04 -0.40 -0.07 0.00 -0.80 0.00 0.00 55.06 53.83 2wrf s HIS 41 Cb -0.07 -1.07 0.50 0.00 -1.43 0.00 0.00 32.58 30.51 2wrf s HIS 41 CO 0.01 0.35 1.56 -0.97 -2.00 0.00 0.00 174.74 173.68 2wrf h ASN 42 N 3.61 -0.87 0.00 7.38 -0.73 0.11 -3.46 115.58 121.62 2wrf h ASN 42 Ca -0.46 0.30 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2wrf h ASN 42 Cb 1.19 0.60 0.00 0.00 0.27 0.00 0.00 38.32 40.38 2wrf h ASN 42 CO 0.44 -0.33 0.00 0.61 -0.37 0.00 0.00 177.43 177.78 2wrf n GLY 43 N -1.61 1.72 3.32 1.57 0.00 -1.26 -4.82 105.19 104.11 2wrf n GLY 43 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.97 1.25 -0.03 1.61 -2.85 -1.26 -4.68 119.74 112.80 2wrf s LYS 44 Ca 0.00 -1.44 -0.17 0.00 -1.00 0.00 0.00 55.97 53.36 2wrf s LYS 44 Cb 0.00 -1.17 -0.05 0.00 -2.06 0.00 0.00 37.83 34.55 2wrf s LYS 44 CO 0.00 0.22 0.48 -0.51 0.10 0.00 0.00 175.35 175.64 2wrf s LEU 45 N -2.86 4.40 0.35 2.77 1.02 -1.26 -2.65 118.68 120.46 2wrf s LEU 45 Ca 0.17 0.98 -0.00 0.00 0.02 0.00 0.00 54.13 55.29 2wrf s LEU 45 Cb -0.04 -2.71 -0.00 0.00 0.02 0.00 0.00 46.19 43.46 2wrf s LEU 45 CO 0.06 0.18 0.45 0.00 0.02 0.00 0.00 176.35 177.06 2wrf s LYS 47 N -3.04 2.02 -0.38 0.00 1.02 -1.26 -4.73 119.74 113.37 2wrf s LYS 47 Ca 0.32 1.49 0.03 0.00 0.02 0.00 0.00 55.97 57.83 2wrf s LYS 47 Cb -0.00 -1.85 0.11 0.00 -0.52 0.00 0.00 37.83 35.57 2wrf s LYS 47 CO 0.22 -1.87 0.12 -1.17 -0.92 0.00 0.00 175.35 171.73 2wrf s LEU 48 N -5.64 3.88 -0.46 3.17 2.96 -0.25 -3.12 118.68 119.22 2wrf s LEU 48 Ca 0.68 -2.25 -0.02 0.00 -0.22 0.00 0.00 54.13 52.32 2wrf s LEU 48 Cb -0.23 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2wrf s LEU 48 CO 0.50 -0.35 0.32 0.59 -1.32 0.00 0.00 176.35 176.09 2wrf n ASN 49 N 4.10 -3.27 0.00 3.68 4.13 -1.18 -3.63 115.26 119.09 2wrf n ASN 49 Ca 0.03 -0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.15 2wrf n ASN 49 Cb 0.39 -1.95 0.00 0.00 -1.54 0.00 0.00 39.78 36.68 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 -0.99 1.03 3.68 7.41 0.00 -1.26 -4.96 105.19 110.10 2wrf n GLY 50 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.06 0.97 -0.61 -1.09 -1.24 -4.86 121.20 117.42 2wrf s ILE 51 Ca 0.00 0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 58.62 2wrf s ILE 51 Cb 0.00 -3.22 0.17 0.00 -1.58 0.00 0.00 42.46 37.83 2wrf s ILE 51 CO 0.00 -0.01 1.15 -2.84 -1.23 0.00 0.00 174.94 172.01 2wrf s PRO 52 N 3.39 0.67 0.73 2.79 0.02 -1.26 -1.09 135.00 140.25 2wrf s PRO 52 Ca 0.79 0.16 -0.02 0.00 0.02 0.00 0.00 61.00 61.95 2wrf s PRO 52 Cb -0.40 -1.80 0.15 0.00 0.02 0.00 0.00 34.50 32.47 2wrf s PRO 52 CO 0.35 -2.49 1.00 -0.35 -0.33 0.00 0.00 177.00 175.18 2wrf n PRO 53 N -3.94 -0.20 -3.52 5.54 -0.05 -1.26 -0.94 135.00 130.63 2wrf n PRO 53 Ca 0.09 -2.57 -0.42 0.00 -0.05 0.00 0.00 63.50 60.55 2wrf n PRO 53 Cb 0.59 -0.71 -0.10 0.00 -0.05 0.00 0.00 33.50 33.24 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 5.11 -0.08 1.53 2.96 0.85 -4.83 118.68 124.22 2wrf s LEU 54 Ca 0.65 -1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 2wrf s LEU 54 Cb -0.03 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2wrf s LEU 54 CO 0.43 -0.49 1.15 -1.61 -1.32 0.00 0.00 176.35 174.51 2wrf s GLU 55 N 1.57 4.36 0.00 1.98 2.02 -1.26 -1.07 118.70 126.30 2wrf s GLU 55 Ca 0.03 1.60 0.16 0.00 0.02 0.00 0.00 54.97 56.77 2wrf s GLU 55 Cb -0.21 -3.57 -0.07 0.00 0.10 0.00 0.00 34.13 30.38 2wrf s GLU 55 CO 0.06 -0.44 0.77 1.28 0.02 0.00 0.00 175.26 176.95 2wrf n LEU 56 N 5.27 1.26 0.00 1.80 4.77 -0.92 -4.86 117.00 124.32 2wrf n LEU 56 Ca 0.11 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2wrf n LEU 56 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wrf n LEU 56 CO 0.54 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2wrf n GLY 57 N 1.22 2.71 1.50 -0.72 0.00 -1.26 -0.67 105.19 107.98 2wrf n GLY 57 Ca 0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 1.58 3.39 -4.96 1.61 5.68 -1.26 -3.89 116.55 118.70 2wrf n ASP 58 Ca 0.00 -2.72 -0.20 0.00 -0.50 0.00 0.00 54.79 51.38 2wrf n ASP 58 Cb 0.00 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.32 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 -4.09 4.09 0.30 0.00 1.04 -1.06 -4.49 113.70 109.49 2wrf s SER 60 Ca 0.41 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2wrf s SER 60 Cb -0.09 -0.55 0.54 0.00 0.10 0.00 0.00 66.02 66.02 2wrf s SER 60 CO 0.30 -0.08 1.91 0.40 0.98 0.00 0.00 173.24 176.75 2wrf h ILE 61 N 1.98 1.06 -0.10 -1.02 2.04 -1.98 0.18 117.51 119.67 2wrf h ILE 61 Ca -0.42 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2wrf h ILE 61 Cb 1.25 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2wrf h ILE 61 CO 0.63 0.19 0.02 0.00 0.00 0.00 0.00 178.15 178.99 2wrf h ALA 62 N 1.51 0.13 -0.81 1.87 0.00 -1.94 -0.97 119.26 119.06 2wrf h ALA 62 Ca 0.39 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2wrf h ALA 62 Cb 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2wrf h ALA 62 CO -0.15 -0.23 0.45 0.78 0.00 0.00 0.00 179.25 180.11 2wrf h GLY 63 N -0.05 1.26 0.78 0.00 0.00 -1.34 -0.54 103.07 103.18 2wrf h GLY 63 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2wrf h GLY 63 CO 0.00 0.11 -0.25 -0.25 0.00 0.00 0.00 176.54 176.15 2wrf h TRP 64 N 0.76 -0.66 -0.14 5.60 7.01 -0.49 -0.73 115.95 127.30 2wrf h TRP 64 Ca 0.40 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.29 2wrf h TRP 64 Cb 0.38 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 2wrf h TRP 64 CO -0.07 -0.33 -0.33 -0.07 -2.79 0.00 0.00 178.44 174.85 2wrf h LEU 65 N -0.94 0.28 -0.18 0.65 3.38 -0.98 -2.65 115.31 114.87 2wrf h LEU 65 Ca -0.07 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.57 2wrf h LEU 65 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wrf h LEU 65 CO 0.12 0.60 -0.95 -0.07 0.09 0.00 0.00 178.44 178.23 2wrf h LEU 66 N 0.24 0.45 0.00 1.67 3.38 -1.16 -3.45 115.31 116.44 2wrf h LEU 66 Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2wrf h LEU 66 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wrf h LEU 66 CO 0.05 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.37 2wrf n GLY 67 N 0.98 1.62 2.94 0.83 0.00 -0.36 -1.91 105.19 109.30 2wrf n GLY 67 Ca -0.06 -0.12 -0.52 0.00 0.00 0.00 0.00 46.02 45.32 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 0.27 0.49 0.25 1.61 2.85 -0.71 -1.03 115.26 118.99 2wrf n ASN 68 Ca 0.00 0.95 0.13 0.00 -0.11 0.00 0.00 54.58 55.55 2wrf n ASN 68 Cb 0.05 -0.73 0.70 0.00 1.24 0.00 0.00 39.78 41.04 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 3.25 0.00 0.00 1.20 0.11 -1.90 0.64 132.00 135.30 2wrf h PRO 69 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wrf h PRO 69 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wrf h PRO 69 CO 0.66 0.00 -0.20 -1.91 -0.21 0.00 0.00 178.00 176.35 2wrf n GLU 70 N -2.54 0.09 -0.14 1.05 4.07 -1.26 -3.28 120.64 118.63 2wrf n GLU 70 Ca -0.02 0.06 0.11 0.00 -0.06 0.00 0.00 57.16 57.25 2wrf n GLU 70 Cb 0.25 -1.59 0.17 0.00 -0.06 0.00 0.00 31.44 30.22 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 4.09 -0.64 0.00 0.00 3.45 -1.54 -3.18 116.42 118.60 2wrf h ASP 72 Ca 0.00 0.19 -0.50 0.00 0.43 0.00 0.00 57.03 57.15 2wrf h ASP 72 Cb 0.92 0.41 0.02 0.00 -0.56 0.00 0.00 39.33 40.11 2wrf h ASP 72 CO 0.00 -0.22 2.71 -2.11 -1.57 0.00 0.00 179.24 178.05 2wrf n ARG 73 N -5.43 2.17 -5.00 3.56 0.00 -1.26 -4.85 116.66 105.85 2wrf n ARG 73 Ca 0.07 -1.72 -0.27 0.00 -0.00 0.00 0.00 57.85 55.93 2wrf n ARG 73 Cb 0.33 -2.67 -0.16 0.00 -0.00 0.00 0.00 32.46 29.97 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 0.52 2.04 -0.27 2.89 1.43 -1.21 -5.12 118.68 118.97 2wrf s LEU 74 Ca 0.48 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 2wrf s LEU 74 Cb 0.12 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2wrf s LEU 74 CO -0.00 0.25 0.08 -1.48 0.23 0.00 0.00 176.35 175.43 2wrf s LEU 75 N -0.50 3.63 -0.78 1.79 0.05 -1.26 -5.06 118.68 116.54 2wrf s LEU 75 Ca 0.08 -0.42 0.01 0.00 0.05 0.00 0.00 54.13 53.84 2wrf s LEU 75 Cb -0.08 -1.91 0.19 0.00 -2.05 0.00 0.00 46.19 42.34 2wrf s LEU 75 CO -0.01 -0.11 0.62 0.42 -0.55 0.00 0.00 176.35 176.73 2wrf s THR 76 N 1.57 3.70 -0.30 5.48 -4.23 -1.26 -4.82 115.64 115.79 2wrf s THR 76 Ca 0.05 -3.89 -0.38 0.00 -1.18 0.00 0.00 61.69 56.29 2wrf s THR 76 Cb -0.16 -3.36 -0.14 0.00 1.34 0.00 0.00 72.50 70.19 2wrf s THR 76 CO 0.03 -1.02 1.95 0.55 -0.54 0.00 0.00 174.62 175.59 2wrf n VAL 77 N 2.37 0.28 0.22 2.29 3.14 -1.26 -4.74 118.33 120.62 2wrf n VAL 77 Ca 0.19 -0.13 0.05 0.00 -2.96 0.00 0.00 64.34 61.49 2wrf n VAL 77 Cb 0.36 -1.41 0.29 0.00 -1.06 0.00 0.00 33.84 32.02 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 9.48 0.00 -4.20 1.45 0.11 -1.97 -3.35 132.00 133.52 2wrf h PRO 78 Ca -0.37 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.27 2wrf h PRO 78 Cb 1.32 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.08 2wrf h PRO 78 CO 0.99 0.00 -0.79 -2.00 -0.21 0.00 0.00 178.00 175.99 2wrf s GLU 79 N -3.46 1.22 0.21 1.05 2.12 -1.26 0.89 118.70 119.46 2wrf s GLU 79 Ca -0.01 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.14 2wrf s GLU 79 Cb 0.03 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.20 2wrf s GLU 79 CO 0.10 -0.10 -0.03 1.67 -0.54 0.00 0.00 175.26 176.36 2wrf s TRP 80 N 1.07 1.49 -0.27 5.30 -2.14 -1.25 -4.71 118.94 118.44 2wrf s TRP 80 Ca -0.08 -0.88 -0.03 0.00 2.66 0.00 0.00 56.10 57.78 2wrf s TRP 80 Cb -0.14 -0.84 -0.15 0.00 -3.10 0.00 0.00 33.47 29.23 2wrf s TRP 80 CO -0.01 -0.00 -0.27 -1.13 -2.66 0.00 0.00 176.95 172.88 2wrf n SER 81 N -0.36 1.98 -4.19 -2.66 3.41 -0.12 -3.95 113.62 107.72 2wrf n SER 81 Ca -0.06 0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 2wrf n SER 81 Cb 0.63 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.11 -0.09 7.33 -0.85 -1.26 -4.59 117.35 116.48 2wrf s TYR 82 Ca -0.36 -1.33 0.04 0.00 -0.52 0.00 0.00 57.07 54.90 2wrf s TYR 82 Cb 0.11 -0.56 -0.01 0.00 0.38 0.00 0.00 41.96 41.88 2wrf s TYR 82 CO 0.56 -0.59 -0.20 0.42 -1.52 0.00 0.00 175.55 174.22 2wrf s ILE 83 N -4.10 2.43 -0.38 -3.49 1.01 -1.17 -0.10 121.20 115.39 2wrf s ILE 83 Ca 0.35 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2wrf s ILE 83 Cb 0.07 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2wrf s ILE 83 CO 0.09 0.56 0.25 -0.04 0.00 0.00 0.00 174.94 175.80 2wrf s MET 84 N 0.08 3.07 -0.06 2.79 -1.94 -0.23 -0.20 119.30 122.81 2wrf s MET 84 Ca -0.09 -0.93 0.06 0.00 -1.71 0.00 0.00 55.69 53.02 2wrf s MET 84 Cb -0.15 -3.85 -0.01 0.00 2.01 0.00 0.00 34.83 32.83 2wrf s MET 84 CO 0.06 -0.65 -0.24 -2.00 -0.01 0.00 0.00 175.02 172.18 2wrf s GLU 85 N 1.65 2.50 1.03 2.03 2.12 -0.76 -2.16 118.70 125.10 2wrf s GLU 85 Ca 0.04 -0.87 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 2wrf s GLU 85 Cb -0.19 -2.11 0.20 0.00 0.26 0.00 0.00 34.13 32.30 2wrf s GLU 85 CO 0.09 0.36 1.06 1.63 -0.54 0.00 0.00 175.26 177.85 2wrf n LYS 86 N 2.99 -1.31 0.13 4.30 4.01 -1.25 -2.78 118.16 124.26 2wrf n LYS 86 Ca -0.18 -0.33 -0.14 0.00 -0.51 0.00 0.00 58.31 57.16 2wrf n LYS 86 Cb 0.52 -2.27 -0.08 0.00 -0.51 0.00 0.00 35.03 32.69 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 -2.23 -0.31 -2.97 1.97 4.57 -1.89 -3.38 114.58 110.34 2wrf h GLU 87 Ca -0.51 0.02 -0.61 0.00 -1.18 0.00 0.00 59.36 57.08 2wrf h GLU 87 Cb 1.30 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 29.55 2wrf h GLU 87 CO 0.44 -0.05 -0.72 -0.80 -1.18 0.00 0.00 179.01 176.69 2wrf s ASN 88 N -5.09 3.68 0.58 1.04 -0.87 -1.26 -5.12 114.94 107.89 2wrf s ASN 88 Ca -0.15 -2.97 -0.19 0.00 -1.57 0.00 0.00 52.86 47.98 2wrf s ASN 88 Cb 0.03 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.25 40.06 2wrf s ASN 88 CO 0.61 -0.21 1.03 -2.65 -2.57 0.00 0.00 177.10 173.30 2wrf n PRO 89 N 3.09 1.05 0.11 -0.60 -0.02 -1.26 -4.94 135.00 132.44 2wrf n PRO 89 Ca 0.13 0.40 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 2wrf n PRO 89 Cb 0.36 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.72 0.57 -3.94 -0.52 3.08 -1.76 -3.42 114.38 109.11 2wrf h ARG 90 Ca -0.48 -0.86 -0.78 0.00 0.07 0.00 0.00 59.98 57.93 2wrf h ARG 90 Cb 1.35 0.30 -0.25 0.00 0.08 0.00 0.00 29.97 31.46 2wrf h ARG 90 CO 0.52 1.40 0.63 -0.80 -1.07 0.00 0.00 179.97 180.65 2wrf s ASN 91 N -7.47 7.17 0.00 7.04 0.02 -0.86 -4.93 114.94 115.91 2wrf s ASN 91 Ca -0.10 -3.27 0.00 0.00 -1.02 0.00 0.00 52.86 48.47 2wrf s ASN 91 Cb 0.05 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 39.05 2wrf s ASN 91 CO 0.93 -0.46 0.00 0.61 0.02 0.00 0.00 177.10 178.20 2wrf n GLY 92 N 3.31 0.75 3.58 0.66 0.00 -1.26 -2.57 105.19 109.66 2wrf n GLY 92 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 3.43 0.08 0.99 1.43 -1.26 -4.02 118.68 119.33 2wrf s LEU 93 Ca 0.00 0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 2wrf s LEU 93 Cb 0.00 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 2wrf s LEU 93 CO 0.00 -1.80 1.47 0.00 0.23 0.00 0.00 176.35 176.26 2wrf s TYR 95 N -4.75 3.50 0.84 0.00 5.04 -1.26 -4.57 117.35 116.15 2wrf s TYR 95 Ca -0.13 1.52 -0.13 0.00 -2.44 0.00 0.00 57.07 55.89 2wrf s TYR 95 Cb 0.07 -3.14 0.08 0.00 0.35 0.00 0.00 41.96 39.32 2wrf s TYR 95 CO 0.76 -0.22 1.06 -2.30 -1.34 0.00 0.00 175.55 173.52 2wrf n PRO 96 N 5.02 0.00 0.00 4.97 -0.02 -1.26 -4.71 135.00 139.00 2wrf n PRO 96 Ca 0.08 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2wrf n PRO 96 Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.67 -0.31 3.24 -1.23 0.00 -1.26 -0.82 105.19 105.48 2wrf n GLY 97 Ca 0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 0.17 -0.10 1.61 1.04 -0.87 -4.91 113.70 106.64 2wrf s SER 98 Ca 0.00 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.52 2wrf s SER 98 Cb 0.00 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.49 2wrf s SER 98 CO 0.00 -0.79 -0.13 0.12 0.98 0.00 0.00 173.24 173.42 2wrf s PHE 99 N -3.96 1.79 -0.00 5.02 2.19 -1.26 -0.63 117.98 121.12 2wrf s PHE 99 Ca 0.15 -0.82 -0.23 0.00 0.33 0.00 0.00 56.93 56.37 2wrf s PHE 99 Cb 0.05 -1.32 -0.05 0.00 -1.31 0.00 0.00 43.02 40.39 2wrf s PHE 99 CO -0.03 -0.44 0.68 -0.80 1.83 0.00 0.00 175.22 176.46 2wrf s ASN 100 N 1.03 7.05 -1.38 6.13 0.01 0.06 -3.81 114.94 124.04 2wrf s ASN 100 Ca -0.06 1.26 -0.05 0.00 -0.71 0.00 0.00 52.86 53.29 2wrf s ASN 100 Cb -0.15 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.13 2wrf s ASN 100 CO -0.02 0.02 0.84 0.47 -1.51 0.00 0.00 177.10 176.91 2wrf n ASP 101 N 3.03 -2.74 -0.10 -1.22 8.00 -1.26 -4.62 116.55 117.64 2wrf n ASP 101 Ca -0.04 -0.77 -0.11 0.00 0.71 0.00 0.00 54.79 54.58 2wrf n ASP 101 Cb 0.51 -4.14 -0.03 0.00 -0.02 0.00 0.00 41.12 37.44 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 -2.00 0.55 0.03 1.24 3.20 -1.98 -2.18 116.97 115.83 2wrf h TYR 102 Ca -0.60 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.18 2wrf h TYR 102 Cb 1.36 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2wrf h TYR 102 CO 0.50 0.63 -0.02 0.93 -1.64 0.00 0.00 178.16 178.56 2wrf h GLU 103 N 0.32 -0.04 -0.81 1.82 3.07 -1.90 0.17 114.58 117.19 2wrf h GLU 103 Ca 0.09 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.19 2wrf h GLU 103 Cb 0.40 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 2wrf h GLU 103 CO 0.01 0.14 0.60 0.93 -1.40 0.00 0.00 179.01 179.29 2wrf h GLU 104 N -0.22 0.00 0.06 2.33 4.39 -1.87 0.56 114.58 119.83 2wrf h GLU 104 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2wrf h GLU 104 Cb 0.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2wrf h GLU 104 CO 0.01 0.00 -0.61 1.25 -1.16 0.00 0.00 179.01 178.50 2wrf h LEU 105 N 0.00 0.43 -0.43 1.33 5.85 -0.67 -1.34 115.31 120.49 2wrf h LEU 105 Ca 0.39 -0.86 0.08 0.00 0.84 0.00 0.00 57.88 58.33 2wrf h LEU 105 Cb 1.59 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 2wrf h LEU 105 CO -0.00 1.25 -0.01 0.11 -0.34 0.00 0.00 178.44 179.44 2wrf h LYS 106 N -0.32 0.09 0.05 1.25 1.57 0.22 0.69 116.57 120.11 2wrf h LYS 106 Ca -0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2wrf h LYS 106 Cb 1.39 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2wrf h LYS 106 CO 0.12 0.06 -0.02 1.25 -0.57 0.00 0.00 179.45 180.29 2wrf h HIS 107 N 0.10 -0.06 -0.39 -1.35 2.76 -0.09 -2.79 115.15 113.33 2wrf h HIS 107 Ca 0.21 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.46 2wrf h HIS 107 Cb 0.31 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.21 2wrf h HIS 107 CO -0.29 0.01 -0.15 1.25 -1.30 0.00 0.00 177.93 177.45 2wrf h LEU 108 N -0.11 -0.53 -2.95 0.26 5.85 -0.33 -0.99 115.31 116.52 2wrf h LEU 108 Ca -0.01 0.14 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 2wrf h LEU 108 Cb 0.09 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 2wrf h LEU 108 CO 0.01 -0.19 0.26 2.30 -0.34 0.00 0.00 178.44 180.49 2wrf n ILE 109 N -5.35 2.08 0.23 4.05 -5.35 0.15 -4.29 119.36 110.88 2wrf n ILE 109 Ca 0.02 -0.93 -0.16 0.00 -0.27 0.00 0.00 62.75 61.41 2wrf n ILE 109 Cb 0.26 -1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 37.07 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 0.72 -0.89 -4.32 7.28 0.02 -0.91 -3.44 113.55 112.00 2wrf h SER 110 Ca 0.23 0.07 -0.43 0.00 -0.84 0.00 0.00 61.79 60.82 2wrf h SER 110 Cb 1.41 0.29 -0.25 0.00 0.14 0.00 0.00 62.40 63.99 2wrf h SER 110 CO 0.46 -0.48 -0.79 -0.94 -1.14 0.00 0.00 176.83 173.94 2wrf s SER 111 N -4.59 1.57 0.12 3.07 1.04 -1.26 -4.34 113.70 109.30 2wrf s SER 111 Ca -0.17 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.85 2wrf s SER 111 Cb 0.06 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2wrf s SER 111 CO 0.63 0.04 -0.02 0.68 0.98 0.00 0.00 173.24 175.55 2wrf s VAL 112 N -0.80 0.53 -0.31 5.02 -7.23 -1.25 -4.72 120.40 111.64 2wrf s VAL 112 Ca 0.01 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2wrf s VAL 112 Cb -0.07 -1.86 0.25 0.00 0.56 0.00 0.00 36.38 35.26 2wrf s VAL 112 CO 0.01 -0.70 1.22 1.07 -0.31 0.00 0.00 175.10 176.40 2wrf n THR 113 N -0.09 0.00 -2.91 5.32 5.66 0.31 -3.90 114.28 118.67 2wrf n THR 113 Ca -0.09 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2wrf n THR 113 Cb 0.62 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 1.98 -0.18 -3.42 1.09 -0.00 -1.23 -4.58 115.22 108.89 2wrf n HIS 114 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 2wrf n HIS 114 Cb 0.69 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.58 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 0.95 -0.47 -0.05 -1.40 5.36 0.26 -3.39 117.98 119.23 2wrf s PHE 115 Ca 0.00 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 2wrf s PHE 115 Cb 0.00 -0.36 0.01 0.00 -0.34 0.00 0.00 43.02 42.33 2wrf s PHE 115 CO 0.00 -0.81 -0.11 -2.00 -1.46 0.00 0.00 175.22 170.85 2wrf s GLU 116 N 2.38 1.43 0.08 10.12 2.12 -0.55 -4.50 118.70 129.78 2wrf s GLU 116 Ca 0.09 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.78 2wrf s GLU 116 Cb -0.15 -1.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.96 2wrf s GLU 116 CO -0.25 0.03 0.93 0.21 -0.54 0.00 0.00 175.26 175.64 2wrf s LYS 117 N 0.61 4.64 0.00 4.30 2.20 -1.26 0.24 119.74 130.47 2wrf s LYS 117 Ca -0.12 1.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 2wrf s LYS 117 Cb -0.14 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2wrf s LYS 117 CO 0.03 0.17 -0.12 0.14 -0.36 0.00 0.00 175.35 175.20 2wrf s VAL 118 N 0.22 0.96 -0.15 4.02 -7.23 -0.39 -4.93 120.40 112.89 2wrf s VAL 118 Ca 0.47 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 2wrf s VAL 118 Cb -0.22 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 2wrf s VAL 118 CO 0.28 0.21 1.34 -0.75 -0.31 0.00 0.00 175.10 175.87 2wrf s LYS 119 N -0.45 4.19 -0.08 4.82 2.20 -1.26 0.38 119.74 129.54 2wrf s LYS 119 Ca 0.04 1.73 0.07 0.00 -0.36 0.00 0.00 55.97 57.45 2wrf s LYS 119 Cb -0.05 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.35 2wrf s LYS 119 CO -0.00 -0.77 0.03 0.44 -0.36 0.00 0.00 175.35 174.69 2wrf n ILE 120 N 5.46 0.52 -3.37 5.43 -5.35 -0.11 -4.82 119.36 117.12 2wrf n ILE 120 Ca 0.15 -0.33 -0.26 0.00 -0.27 0.00 0.00 62.75 62.04 2wrf n ILE 120 Cb 0.45 -0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 37.48 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 0.74 -4.24 7.28 4.77 -0.93 -4.78 117.00 117.57 2wrf n LEU 121 Ca -0.12 -4.74 -0.53 0.00 -0.03 0.00 0.00 56.01 50.58 2wrf n LEU 121 Cb 0.74 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 42.05 2wrf n LEU 121 CO 0.16 1.96 0.39 -2.65 -1.33 0.00 0.00 177.39 175.93 2wrf n PRO 122 N 1.89 0.00 -0.33 3.23 -0.02 -1.26 -4.52 135.00 133.99 2wrf n PRO 122 Ca 0.25 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2wrf n PRO 122 Cb 0.48 -1.29 0.29 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.33 0.85 -0.28 -0.52 3.64 -1.94 -2.30 116.57 118.36 2wrf h LYS 123 Ca -0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wrf h LYS 123 Cb 1.36 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wrf h LYS 123 CO 0.60 0.57 0.00 -0.40 -2.27 0.00 0.00 179.45 177.94 2wrf n ASP 124 N -4.61 1.68 -0.91 4.20 3.85 -1.26 -3.73 116.55 115.78 2wrf n ASP 124 Ca 0.19 -1.91 0.09 0.00 -0.71 0.00 0.00 54.79 52.45 2wrf n ASP 124 Cb 0.41 -0.18 0.24 0.00 -1.35 0.00 0.00 41.12 40.24 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 0.39 2.15 -2.43 0.11 0.63 -0.87 -4.34 116.66 112.30 2wrf n ARG 125 Ca 0.12 -1.78 -0.40 0.00 -0.92 0.00 0.00 57.85 54.88 2wrf n ARG 125 Cb 0.28 -1.41 0.02 0.00 0.45 0.00 0.00 32.46 31.81 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 0.95 2.89 0.19 -0.14 7.02 -1.24 -4.84 117.44 122.26 2wrf n TRP 126 Ca 0.17 -2.55 0.07 0.00 -1.02 0.00 0.00 57.50 54.18 2wrf n TRP 126 Cb 0.43 -1.15 0.59 0.00 -2.42 0.00 0.00 31.31 28.76 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 2.18 1.02 -0.01 -0.99 1.35 -1.91 -1.38 112.91 113.16 2wrf h THR 127 Ca 0.53 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.34 2wrf h THR 127 Cb 0.25 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2wrf h THR 127 CO 1.24 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.53 2wrf n GLN 128 N -4.52 1.16 -4.15 4.72 6.02 -1.26 -4.86 117.38 114.49 2wrf n GLN 128 Ca -0.01 -0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 56.64 2wrf n GLN 128 Cb 0.10 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.99 0.82 -0.10 1.08 3.76 -0.52 -4.36 115.29 113.99 2wrf s HIS 129 Ca 0.41 -0.91 -0.28 0.00 -0.15 0.00 0.00 55.06 54.13 2wrf s HIS 129 Cb 0.19 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 2wrf s HIS 129 CO 0.32 -0.18 0.92 0.99 -0.85 0.00 0.00 174.74 175.94 2wrf s THR 130 N -3.50 4.86 -0.49 1.30 2.01 -0.36 -4.89 115.64 114.57 2wrf s THR 130 Ca 0.09 1.87 0.07 0.00 0.31 0.00 0.00 61.69 64.03 2wrf s THR 130 Cb 0.05 -4.24 0.37 0.00 0.01 0.00 0.00 72.50 68.69 2wrf s THR 130 CO -0.05 0.07 0.96 0.35 -0.69 0.00 0.00 174.62 175.26 2wrf n THR 131 N 4.37 2.24 -0.21 -0.82 -2.24 -1.26 -1.01 114.28 115.35 2wrf n THR 131 Ca 0.06 -5.07 0.00 0.00 -2.27 0.00 0.00 64.05 56.77 2wrf n THR 131 Cb 0.50 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.21 0.00 -1.69 4.28 -2.24 -1.26 -4.84 114.28 108.31 2wrf n THR 132 Ca 0.30 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.65 2wrf n THR 132 Cb 0.54 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 2wrf n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrf n GLY 133 N 0.00 1.52 0.00 3.38 0.00 -1.26 -4.98 105.19 103.85 2wrf n GLY 133 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2wrf n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrf n GLY 134 N 4.02 5.47 3.57 -0.02 0.00 -1.26 -4.65 105.19 112.32 2wrf n GLY 134 Ca 0.18 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 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 0.45 1.61 0.15 0.39 -4.73 113.70 112.35 2wrf s SER 135 Ca 0.00 0.04 0.12 0.00 0.70 0.00 0.00 55.95 56.81 2wrf s SER 135 Cb 0.00 0.23 1.00 0.00 -1.71 0.00 0.00 66.02 65.54 2wrf s SER 135 CO 0.00 -0.36 2.04 1.56 1.20 0.00 0.00 173.24 177.68 2wrf h GLN 136 N 2.05 0.17 -0.79 5.44 7.50 -1.90 -2.06 115.11 125.52 2wrf h GLN 136 Ca -0.14 -0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.13 2wrf h GLN 136 Cb 1.19 -0.03 -0.09 0.00 0.05 0.00 0.00 27.48 28.59 2wrf h GLN 136 CO 0.26 0.21 0.35 0.78 -1.50 0.00 0.00 178.83 178.93 2wrf h GLY 137 N 0.42 1.23 -4.49 3.46 0.00 -1.86 -2.02 103.07 99.80 2wrf h GLY 137 Ca 0.04 -0.19 -0.68 0.00 0.00 0.00 0.00 47.33 46.51 2wrf h GLY 137 CO 0.00 -0.07 0.33 0.00 0.00 0.00 0.00 176.54 176.80 2wrf s ALA 139 N -3.83 3.52 0.00 0.00 0.00 -0.76 -2.84 121.76 117.85 2wrf s ALA 139 Ca 0.54 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2wrf s ALA 139 Cb 0.44 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2wrf s ALA 139 CO -0.21 -0.64 0.00 0.28 0.00 0.00 0.00 175.76 175.19 2wrf n VAL 140 N 1.23 0.00 -1.74 0.00 0.31 -0.83 -4.84 118.33 112.46 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 -0.77 0.16 0.00 -0.91 0.00 0.00 33.84 32.73 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 -0.87 0.65 -3.88 3.52 3.72 -1.26 -4.62 117.46 114.72 2wrf n PHE 141 Ca 0.00 -1.64 -0.29 0.00 -0.05 0.00 0.00 57.45 55.47 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 -3.28 4.28 0.16 4.37 -0.00 -1.26 -5.16 116.67 115.78 2wrf s ASP 142 Ca 0.41 -3.22 0.04 0.00 -0.00 0.00 0.00 52.55 49.78 2wrf s ASP 142 Cb 0.38 -1.52 -0.04 0.00 -0.00 0.00 0.00 42.92 41.75 2wrf s ASP 142 CO -0.05 -0.19 0.19 0.20 -0.00 0.00 0.00 175.17 175.33 2wrf s ASN 143 N -0.55 5.82 -0.20 0.27 0.02 -1.26 -4.96 114.94 114.07 2wrf s ASN 143 Ca 0.20 -0.02 -0.39 0.00 -1.02 0.00 0.00 52.86 51.62 2wrf s ASN 143 Cb -0.18 -1.61 -0.16 0.00 0.02 0.00 0.00 41.25 39.32 2wrf s ASN 143 CO -0.06 0.06 1.66 -2.65 0.02 0.00 0.00 177.10 176.13 2wrf n PRO 144 N -0.45 1.14 -1.89 -0.60 -0.02 -1.26 -1.97 135.00 129.95 2wrf n PRO 144 Ca -0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2wrf n PRO 144 Cb 0.55 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.76 0.17 -3.73 2.55 2.88 -1.05 -4.37 113.62 114.83 2wrf n SER 145 Ca 0.25 -0.95 -0.09 0.00 -1.33 0.00 0.00 58.87 56.75 2wrf n SER 145 Cb 0.14 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.86 0.15 -0.07 0.66 5.36 -1.26 -0.46 117.98 120.51 2wrf s PHE 146 Ca 0.00 -0.59 -0.31 0.00 -0.96 0.00 0.00 56.93 55.07 2wrf s PHE 146 Cb 0.00 0.48 -0.09 0.00 -0.34 0.00 0.00 43.02 43.07 2wrf s PHE 146 CO 0.00 -1.19 2.01 1.19 -1.46 0.00 0.00 175.22 175.77 2wrf n PHE 147 N -0.45 2.31 -0.21 10.12 3.72 -1.26 -4.53 117.46 127.16 2wrf n PHE 147 Ca -0.03 -0.19 0.29 0.00 -0.05 0.00 0.00 57.45 57.46 2wrf n PHE 147 Cb 0.60 -2.74 0.71 0.00 -0.94 0.00 0.00 39.48 37.11 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 11.12 0.04 -0.01 -1.08 2.47 -1.14 0.20 114.38 125.98 2wrf h ARG 148 Ca -0.47 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2wrf h ARG 148 Cb 1.25 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2wrf h ARG 148 CO 0.95 0.03 -0.28 0.09 0.56 0.00 0.00 179.97 181.32 2wrf n ASN 149 N -4.29 1.40 -4.52 7.04 3.02 -0.80 -4.93 115.26 112.18 2wrf n ASN 149 Ca 0.20 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.35 2wrf n ASN 149 Cb 0.98 0.20 -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 -2.43 1.88 -0.19 3.52 -1.94 0.06 -1.20 119.30 119.00 2wrf s MET 150 Ca 0.24 -1.56 -0.00 0.00 -1.71 0.00 0.00 55.69 52.66 2wrf s MET 150 Cb 0.19 -1.94 0.05 0.00 2.01 0.00 0.00 34.83 35.13 2wrf s MET 150 CO 0.51 0.37 -0.06 0.08 -0.01 0.00 0.00 175.02 175.90 2wrf s VAL 151 N -2.22 1.29 -0.82 -6.03 1.01 -0.16 -4.69 120.40 108.78 2wrf s VAL 151 Ca 0.28 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2wrf s VAL 151 Cb -0.06 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.91 2wrf s VAL 151 CO 0.16 0.09 1.21 0.86 0.00 0.00 0.00 175.10 177.42 2wrf s TRP 152 N 1.54 2.59 -0.09 5.22 -0.11 -1.26 -2.76 118.94 124.07 2wrf s TRP 152 Ca -0.01 -0.61 -0.30 0.00 1.22 0.00 0.00 56.10 56.41 2wrf s TRP 152 Cb -0.16 -4.50 -0.03 0.00 -1.50 0.00 0.00 33.47 27.28 2wrf s TRP 152 CO -0.08 -1.83 1.28 -0.51 -4.62 0.00 0.00 176.95 171.20 2wrf s LEU 153 N 4.59 4.25 0.31 5.86 1.43 -1.24 -4.21 118.68 129.68 2wrf s LEU 153 Ca 0.34 1.84 0.08 0.00 -1.03 0.00 0.00 54.13 55.36 2wrf s LEU 153 Cb -0.08 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 2wrf s LEU 153 CO 0.03 -0.70 -0.08 0.42 0.23 0.00 0.00 176.35 176.26 2wrf s THR 154 N 2.86 1.94 0.37 5.49 -4.23 -0.18 -4.64 115.64 117.26 2wrf s THR 154 Ca 0.58 -2.17 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 2wrf s THR 154 Cb -0.25 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.96 2wrf s THR 154 CO 0.20 -0.26 1.41 -1.59 -0.54 0.00 0.00 174.62 173.84 2wrf s LYS 155 N -3.67 4.12 -0.27 3.99 -2.85 0.18 -1.22 119.74 120.02 2wrf s LYS 155 Ca 0.31 2.41 -0.15 0.00 -1.00 0.00 0.00 55.97 57.53 2wrf s LYS 155 Cb 0.03 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.82 2wrf s LYS 155 CO 0.14 -0.46 0.39 0.21 0.10 0.00 0.00 175.35 175.73 2wrf s LYS 156 N -2.06 4.00 2.67 1.78 2.20 -0.60 -4.37 119.74 123.35 2wrf s LYS 156 Ca 0.53 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2wrf s LYS 156 Cb -0.43 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 2wrf s LYS 156 CO 0.58 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 2wrf n GLY 157 N 4.67 0.75 2.77 5.54 0.00 -1.26 -1.03 105.19 116.64 2wrf n GLY 157 Ca -0.08 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 5.13 0.49 -3.66 1.61 7.64 -1.26 -5.08 113.62 118.50 2wrf n SER 158 Ca 0.00 -2.16 -0.22 0.00 1.01 0.00 0.00 58.87 57.50 2wrf n SER 158 Cb 0.00 -0.07 -0.18 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 1.51 -0.88 6.43 3.04 -0.20 -5.00 114.94 117.01 2wrf s ASN 159 Ca 0.21 -0.13 -0.12 0.00 0.04 0.00 0.00 52.86 52.87 2wrf s ASN 159 Cb 0.37 -0.18 0.23 0.00 -1.54 0.00 0.00 41.25 40.13 2wrf s ASN 159 CO -0.06 -0.28 0.82 -0.47 -3.04 0.00 0.00 177.10 174.07 2wrf s TYR 160 N 2.16 3.85 0.92 0.43 5.04 -1.26 -1.56 117.35 126.93 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 -3.76 0.15 0.00 0.35 0.00 0.00 41.96 38.56 2wrf s TYR 160 CO -0.05 -0.96 1.10 -2.14 -1.34 0.00 0.00 175.55 172.16 2wrf s PRO 161 N -0.21 1.01 -0.19 4.97 0.02 -1.26 -4.83 135.00 134.51 2wrf s PRO 161 Ca 0.21 1.10 -0.37 0.00 0.02 0.00 0.00 61.00 61.97 2wrf s PRO 161 Cb -0.11 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.52 2wrf s PRO 161 CO -0.08 -2.49 1.86 0.28 -0.33 0.00 0.00 177.00 176.23 2wrf n VAL 162 N -4.09 0.44 -2.88 3.83 0.31 -1.26 -4.79 118.33 109.89 2wrf n VAL 162 Ca 0.08 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 2wrf n VAL 162 Cb 0.54 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.83 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 4.17 3.42 -0.05 3.52 0.00 0.15 -4.93 121.76 128.04 2wrf s ALA 163 Ca 0.97 0.16 0.01 0.00 0.00 0.00 0.00 51.96 53.09 2wrf s ALA 163 Cb -0.86 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.07 2wrf s ALA 163 CO 0.57 -0.48 -0.04 0.15 0.00 0.00 0.00 175.76 175.96 2wrf s LYS 164 N 1.72 0.86 0.05 0.00 1.02 -1.26 -0.86 119.74 121.28 2wrf s LYS 164 Ca 0.41 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 2wrf s LYS 164 Cb -0.18 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 2wrf s LYS 164 CO 0.16 -0.11 0.08 0.20 -0.92 0.00 0.00 175.35 174.76 2wrf s GLY 165 N 1.05 0.24 -0.04 -3.33 0.00 -0.98 -5.02 107.32 99.23 2wrf s GLY 165 Ca -0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 2wrf s GLY 165 CO -0.01 -0.89 0.78 -1.35 0.00 0.00 0.00 173.10 171.63 2wrf s SER 166 N -2.52 -0.53 -0.05 1.64 1.04 -1.26 -0.56 113.70 111.45 2wrf s SER 166 Ca 0.01 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 2wrf s SER 166 Cb 0.03 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2wrf s SER 166 CO -0.08 -0.59 0.13 -0.47 0.98 0.00 0.00 173.24 173.21 2wrf s TYR 167 N -1.80 -0.14 -0.22 5.02 5.04 -0.76 -4.95 117.35 119.55 2wrf s TYR 167 Ca -0.05 0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.89 2wrf s TYR 167 Cb -0.00 -0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.22 2wrf s TYR 167 CO 0.02 -0.12 0.11 1.21 -1.34 0.00 0.00 175.55 175.42 2wrf s ASN 168 N 0.74 5.73 -1.19 4.32 3.84 -1.26 -1.19 114.94 125.93 2wrf s ASN 168 Ca -0.06 0.03 -0.21 0.00 0.21 0.00 0.00 52.86 52.84 2wrf s ASN 168 Cb -0.07 -2.02 -0.00 0.00 -0.55 0.00 0.00 41.25 38.61 2wrf s ASN 168 CO -0.03 0.08 1.80 0.21 -2.79 0.00 0.00 177.10 176.37 2wrf s ASN 169 N 0.94 5.95 -0.18 -4.21 2.47 -0.17 -4.65 114.94 115.09 2wrf s ASN 169 Ca 0.05 -1.88 0.15 0.00 0.42 0.00 0.00 52.86 51.61 2wrf s ASN 169 Cb -0.14 -2.58 0.75 0.00 -1.45 0.00 0.00 41.25 37.84 2wrf s ASN 169 CO 0.03 -2.09 1.66 0.35 -3.72 0.00 0.00 177.10 173.33 2wrf n THR 170 N 7.13 2.30 0.75 -5.21 -2.24 -1.26 -0.68 114.28 115.07 2wrf n THR 170 Ca 0.45 -1.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2wrf n THR 170 Cb 0.47 -0.14 0.42 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.79 0.54 0.00 3.42 3.41 -1.26 -4.93 113.62 115.59 2wrf n SER 171 Ca 0.26 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2wrf n SER 171 Cb 1.04 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 2.99 3.09 5.00 0.00 -1.26 -5.02 105.19 111.38 2wrf n GLY 172 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 0.61 0.54 1.61 2.56 -1.26 -5.01 118.70 117.09 2wrf s GLU 173 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 54.97 53.88 2wrf s GLU 173 Cb 0.00 -0.30 -0.09 0.00 2.00 0.00 0.00 34.13 35.74 2wrf s GLU 173 CO 0.00 0.04 0.58 1.04 -0.56 0.00 0.00 175.26 176.36 2wrf n GLN 174 N 1.12 0.59 -4.42 4.30 6.02 -1.26 -4.64 117.38 119.09 2wrf n GLN 174 Ca -0.20 0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 2wrf n GLN 174 Cb 0.56 -1.71 -0.16 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.02 1.29 -0.10 -1.09 -2.45 -0.41 -1.26 119.30 113.26 2wrf s MET 175 Ca 0.68 -0.30 -0.24 0.00 -1.25 0.00 0.00 55.69 54.58 2wrf s MET 175 Cb -0.48 -1.13 -0.03 0.00 1.25 0.00 0.00 34.83 34.44 2wrf s MET 175 CO 0.55 0.02 0.74 -1.17 1.05 0.00 0.00 175.02 176.21 2wrf s LEU 176 N 0.64 4.26 -0.05 4.11 2.96 0.60 0.11 118.68 131.32 2wrf s LEU 176 Ca -0.11 1.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 2wrf s LEU 176 Cb -0.14 -3.13 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2wrf s LEU 176 CO 0.02 -0.22 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.11 2wrf s ILE 177 N 1.30 0.87 -0.02 6.68 1.01 -0.52 -0.80 121.20 129.72 2wrf s ILE 177 Ca 0.38 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2wrf s ILE 177 Cb -0.17 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2wrf s ILE 177 CO 0.16 0.29 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 2wrf s ILE 178 N 0.61 2.85 0.07 2.92 1.01 -1.26 -1.59 121.20 125.80 2wrf s ILE 178 Ca -0.11 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2wrf s ILE 178 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2wrf s ILE 178 CO 0.02 0.51 -0.03 -1.66 0.00 0.00 0.00 174.94 173.78 2wrf s TRP 179 N -0.78 0.62 0.31 3.97 -2.14 -0.40 -4.00 118.94 116.52 2wrf s TRP 179 Ca 0.12 -1.06 0.10 0.00 2.66 0.00 0.00 56.10 57.93 2wrf s TRP 179 Cb -0.10 -0.42 -0.06 0.00 -3.10 0.00 0.00 33.47 29.78 2wrf s TRP 179 CO 0.02 -0.36 -0.14 0.20 -2.66 0.00 0.00 176.95 174.02 2wrf s GLY 180 N -2.95 2.04 -0.06 3.67 0.00 -0.50 -0.83 107.32 108.69 2wrf s GLY 180 Ca 0.10 -1.99 -0.01 0.00 0.00 0.00 0.00 44.72 42.81 2wrf s GLY 180 CO -0.08 -2.00 0.02 0.14 0.00 0.00 0.00 173.10 171.19 2wrf s VAL 181 N -2.59 0.19 -0.02 1.40 1.01 -0.88 -1.48 120.40 118.04 2wrf s VAL 181 Ca 0.31 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 2wrf s VAL 181 Cb -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2wrf s VAL 181 CO 0.16 0.23 0.60 -2.28 0.00 0.00 0.00 175.10 173.80 2wrf s HIS 182 N 1.99 3.66 -0.37 5.22 2.46 -0.24 -1.24 115.29 126.77 2wrf s HIS 182 Ca 0.04 1.19 -0.02 0.00 0.47 0.00 0.00 55.06 56.75 2wrf s HIS 182 Cb -0.12 -2.63 0.09 0.00 -0.13 0.00 0.00 32.58 29.79 2wrf s HIS 182 CO -0.04 0.31 0.13 -1.01 -2.47 0.00 0.00 174.74 171.67 2wrf s HIS 183 N -0.04 3.54 0.73 3.88 3.76 0.20 -4.79 115.29 122.56 2wrf s HIS 183 Ca 0.32 -2.37 -0.11 0.00 -0.15 0.00 0.00 55.06 52.74 2wrf s HIS 183 Cb -0.18 -2.92 0.03 0.00 1.11 0.00 0.00 32.58 30.62 2wrf s HIS 183 CO 0.17 -0.93 1.08 -2.14 -0.85 0.00 0.00 174.74 172.07 2wrf s PRO 184 N 1.13 2.67 0.18 8.40 0.02 -1.26 -1.77 135.00 144.37 2wrf s PRO 184 Ca 0.06 0.65 -0.07 0.00 0.02 0.00 0.00 61.00 61.66 2wrf s PRO 184 Cb -0.21 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.41 2wrf s PRO 184 CO -0.04 -1.21 1.55 -0.91 -0.33 0.00 0.00 177.00 176.06 2wrf h ASN 185 N -0.79 0.84 -5.52 2.53 4.21 -1.83 -3.36 115.58 111.67 2wrf h ASN 185 Ca -0.45 -0.36 -0.24 0.00 1.21 0.00 0.00 56.30 56.46 2wrf h ASN 185 Cb 1.24 -0.23 -0.10 0.00 -1.12 0.00 0.00 38.32 38.11 2wrf h ASN 185 CO 0.61 1.10 -0.30 1.51 -1.29 0.00 0.00 177.43 179.06 2wrf s ASP 186 N -6.81 0.61 0.37 5.81 1.47 -1.26 -4.22 116.67 112.64 2wrf s ASP 186 Ca -0.10 -1.37 0.05 0.00 1.18 0.00 0.00 52.55 52.32 2wrf s ASP 186 Cb 0.12 0.58 0.72 0.00 -0.34 0.00 0.00 42.92 44.00 2wrf s ASP 186 CO 0.85 -1.14 1.97 -0.33 0.68 0.00 0.00 175.17 177.20 2wrf h GLU 187 N 2.25 0.55 -0.02 2.11 4.39 -2.00 -2.97 114.58 118.90 2wrf h GLU 187 Ca -0.29 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.17 2wrf h GLU 187 Cb 1.24 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2wrf h GLU 187 CO 0.41 0.46 -0.66 1.79 -1.16 0.00 0.00 179.01 179.85 2wrf h THR 188 N 0.55 1.39 -0.90 1.13 1.35 -1.99 -2.63 112.91 111.81 2wrf h THR 188 Ca 0.14 -2.07 0.16 0.00 -0.55 0.00 0.00 66.41 64.09 2wrf h THR 188 Cb 0.12 2.49 -0.07 0.00 -1.73 0.00 0.00 68.15 68.96 2wrf h THR 188 CO -0.01 0.61 0.58 -0.08 -0.25 0.00 0.00 175.52 176.37 2wrf h GLU 189 N 0.02 0.60 0.05 4.72 4.81 -1.97 0.55 114.58 123.36 2wrf h GLU 189 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2wrf h GLU 189 Cb 1.35 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2wrf h GLU 189 CO 0.13 0.40 -0.06 0.37 -0.73 0.00 0.00 179.01 179.12 2wrf h GLN 190 N 0.62 -0.12 -0.17 1.92 5.75 -1.35 -1.96 115.11 119.79 2wrf h GLN 190 Ca 0.46 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.90 2wrf h GLN 190 Cb 0.85 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.43 2wrf h GLN 190 CO -0.21 -0.08 -0.15 0.00 -2.65 0.00 0.00 178.83 175.73 2wrf h ARG 191 N -0.13 0.41 -1.07 1.69 3.08 -0.82 -0.32 114.38 117.23 2wrf h ARG 191 Ca 0.01 -0.21 0.29 0.00 0.07 0.00 0.00 59.98 60.14 2wrf h ARG 191 Cb 0.13 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.08 2wrf h ARG 191 CO -0.02 0.77 0.68 1.15 -1.07 0.00 0.00 179.97 181.47 2wrf h THR 192 N 0.07 0.45 0.00 2.04 2.02 0.12 0.16 112.91 117.77 2wrf h THR 192 Ca 0.03 -0.13 -0.42 0.00 0.77 0.00 0.00 66.41 66.67 2wrf h THR 192 Cb 0.68 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 2wrf h THR 192 CO 0.04 0.07 -2.32 0.18 0.37 0.00 0.00 175.52 173.86 2wrf n LEU 193 N -4.70 2.10 -0.02 2.58 4.77 -0.75 -4.67 117.00 116.32 2wrf n LEU 193 Ca 0.28 0.29 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2wrf n LEU 193 Cb 0.95 -0.87 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2wrf n LEU 193 CO 0.23 0.59 0.52 -1.22 -1.33 0.00 0.00 177.39 176.17 2wrf n TYR 194 N -4.13 0.00 0.00 -1.77 4.01 -0.14 -0.65 117.16 114.48 2wrf n TYR 194 Ca -0.49 -0.61 0.00 0.00 -0.16 0.00 0.00 57.90 56.63 2wrf n TYR 194 Cb 0.87 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 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 -0.71 0.00 -2.75 -0.72 -0.06 0.55 -4.60 117.38 109.09 2wrf n GLN 195 Ca 0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.62 2wrf n GLN 195 Cb 0.34 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.48 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 7.39 0.76 1.69 2.20 -1.26 -4.15 114.94 117.56 2wrf s ASN 196 Ca 0.00 1.67 -0.11 0.00 -0.94 0.00 0.00 52.86 53.47 2wrf s ASN 196 Cb 0.00 -2.56 0.05 0.00 -2.00 0.00 0.00 41.25 36.73 2wrf s ASN 196 CO 0.00 -0.16 1.10 -0.69 -2.94 0.00 0.00 177.10 174.41 2wrf s VAL 197 N 0.55 3.20 -0.96 3.54 1.01 -1.26 -3.92 120.40 122.57 2wrf s VAL 197 Ca 0.48 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2wrf s VAL 197 Cb -0.22 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2wrf s VAL 197 CO 0.28 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2wrf n GLY 198 N -2.58 0.05 3.72 4.51 0.00 -1.26 -5.01 105.19 104.64 2wrf n GLY 198 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.53 1.59 0.06 4.61 0.00 -1.25 -5.05 121.76 119.19 2wrf s ALA 199 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 2wrf s ALA 199 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2wrf s ALA 199 CO 0.00 -2.31 0.13 1.52 0.00 0.00 0.00 175.76 175.09 2wrf s TYR 200 N -2.95 0.20 -0.13 0.00 1.13 -1.25 -4.28 117.35 110.08 2wrf s TYR 200 Ca 0.63 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.73 2wrf s TYR 200 Cb -0.18 -0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.57 2wrf s TYR 200 CO 0.57 -0.44 -0.16 0.08 -2.51 0.00 0.00 175.55 173.09 2wrf s VAL 201 N -3.23 1.59 -0.16 -3.49 1.01 0.06 -2.20 120.40 113.98 2wrf s VAL 201 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 2wrf s VAL 201 Cb 0.02 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2wrf s VAL 201 CO -0.07 0.46 -0.08 -0.94 0.00 0.00 0.00 175.10 174.47 2wrf s SER 202 N 1.13 2.75 0.12 3.32 1.04 0.10 0.44 113.70 122.59 2wrf s SER 202 Ca -0.03 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 55.84 2wrf s SER 202 Cb -0.14 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 2wrf s SER 202 CO -0.05 -0.15 0.15 -0.69 0.98 0.00 0.00 173.24 173.49 2wrf s VAL 203 N 1.59 4.78 -0.21 5.02 1.01 -0.56 -1.67 120.40 130.37 2wrf s VAL 203 Ca 0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2wrf s VAL 203 Cb -0.14 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.92 2wrf s VAL 203 CO -0.08 0.01 0.51 -0.83 0.00 0.00 0.00 175.10 174.71 2wrf s GLY 204 N -2.81 -0.43 0.00 4.51 0.00 -0.83 -2.90 107.32 104.86 2wrf s GLY 204 Ca 0.32 1.80 0.00 0.00 0.00 0.00 0.00 44.72 46.84 2wrf s GLY 204 CO 0.24 1.86 0.00 -1.30 0.00 0.00 0.00 173.10 173.90 2wrf n THR 205 N 4.09 0.00 0.26 0.90 -2.24 -0.74 -1.07 114.28 115.49 2wrf n THR 205 Ca -0.21 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 2wrf n THR 205 Cb 0.57 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.42 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 -3.31 113.55 111.69 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 0.08 -0.87 0.35 -1.14 0.00 0.00 176.83 175.25 2wrf n THR 207 N -3.22 0.00 -3.65 -2.27 -2.24 -1.26 -5.03 114.28 96.60 2wrf n THR 207 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2wrf n THR 207 Cb 0.34 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.28 4.41 -0.19 3.22 2.96 -1.25 -5.08 118.68 119.48 2wrf s LEU 208 Ca 0.00 0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2wrf s LEU 208 Cb 0.00 -2.36 0.09 0.00 0.50 0.00 0.00 46.19 44.43 2wrf s LEU 208 CO 0.00 0.33 0.35 0.21 -1.32 0.00 0.00 176.35 175.92 2wrf s ASN 209 N -0.84 0.15 -0.24 3.68 2.47 -1.26 -1.78 114.94 117.12 2wrf s ASN 209 Ca 0.19 0.61 -0.16 0.00 0.42 0.00 0.00 52.86 53.92 2wrf s ASN 209 Cb -0.14 1.04 0.07 0.00 -1.45 0.00 0.00 41.25 40.77 2wrf s ASN 209 CO 0.08 -0.26 0.60 -0.75 -3.72 0.00 0.00 177.10 173.06 2wrf s LYS 210 N 2.52 0.64 -0.12 0.43 2.20 -1.14 -5.04 119.74 119.23 2wrf s LYS 210 Ca 0.03 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 2wrf s LYS 210 Cb -0.13 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.37 2wrf s LYS 210 CO -0.12 -0.13 -0.16 0.50 -0.36 0.00 0.00 175.35 175.08 2wrf s ARG 211 N 1.17 2.30 -0.04 4.03 3.52 -1.26 -1.50 118.95 127.17 2wrf s ARG 211 Ca -0.07 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2wrf s ARG 211 Cb -0.06 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2wrf s ARG 211 CO -0.12 -0.09 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.03 2wrf s SER 212 N 1.07 4.16 -0.07 -2.12 0.01 0.17 -4.93 113.70 111.99 2wrf s SER 212 Ca -0.04 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.07 2wrf s SER 212 Cb -0.15 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2wrf s SER 212 CO -0.03 0.34 -0.18 -0.76 0.41 0.00 0.00 173.24 173.01 2wrf s LEU 213 N -0.87 2.48 0.11 2.44 1.43 -1.26 -0.76 118.68 122.25 2wrf s LEU 213 Ca 0.12 -0.34 -0.32 0.00 -1.03 0.00 0.00 54.13 52.56 2wrf s LEU 213 Cb -0.11 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.50 2wrf s LEU 213 CO 0.02 0.27 1.81 -2.65 0.23 0.00 0.00 176.35 176.02 2wrf n PRO 214 N 2.80 2.66 -3.47 1.29 -0.02 -1.26 -4.95 135.00 132.05 2wrf n PRO 214 Ca -0.17 0.97 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 2wrf n PRO 214 Cb 0.52 -2.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.06 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 2.56 3.52 -0.04 -0.52 2.02 -1.26 -5.03 118.70 119.95 2wrf s GLU 215 Ca 0.82 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 2wrf s GLU 215 Cb -0.53 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 29.86 2wrf s GLU 215 CO 0.38 -0.49 0.03 0.42 0.02 0.00 0.00 175.26 175.63 2wrf s ILE 216 N 1.86 4.45 -0.08 -1.63 1.01 -1.26 -4.68 121.20 120.88 2wrf s ILE 216 Ca 0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2wrf s ILE 216 Cb -0.17 -2.96 0.10 0.00 0.01 0.00 0.00 42.46 39.44 2wrf s ILE 216 CO 0.11 0.46 0.86 0.00 0.00 0.00 0.00 174.94 176.37 2wrf s ALA 217 N -1.05 -1.84 -0.41 9.38 0.00 -1.26 -5.06 121.76 121.52 2wrf s ALA 217 Ca 0.18 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 2wrf s ALA 217 Cb -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2wrf s ALA 217 CO 0.08 -0.44 1.19 0.99 0.00 0.00 0.00 175.76 177.59 2wrf s THR 218 N -1.73 4.21 0.25 0.00 2.01 -1.26 -4.68 115.64 114.45 2wrf s THR 218 Ca -0.03 1.30 0.12 0.00 0.31 0.00 0.00 61.69 63.39 2wrf s THR 218 Cb -0.00 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 2wrf s THR 218 CO 0.01 -0.79 -0.20 -0.13 -0.69 0.00 0.00 174.62 172.82 2wrf s ARG 219 N 4.32 1.68 1.29 4.92 0.52 -1.26 -5.14 118.95 125.28 2wrf s ARG 219 Ca 0.51 -1.68 -0.22 0.00 -0.52 0.00 0.00 55.73 53.82 2wrf s ARG 219 Cb -0.10 -1.82 0.32 0.00 0.52 0.00 0.00 34.95 33.87 2wrf s ARG 219 CO 0.27 0.35 1.08 -2.14 0.02 0.00 0.00 175.30 174.88 2wrf s PRO 220 N -3.29 -1.93 -0.24 3.54 0.02 -1.26 -4.81 135.00 127.04 2wrf s PRO 220 Ca 0.28 -0.18 -0.12 0.00 0.02 0.00 0.00 61.00 61.00 2wrf s PRO 220 Cb -0.06 -1.52 -0.05 0.00 0.02 0.00 0.00 34.50 32.89 2wrf s PRO 220 CO 0.14 -4.15 0.24 -1.21 -0.33 0.00 0.00 177.00 171.69 2wrf s GLU 221 N -5.47 4.08 -0.22 5.54 2.02 -1.26 -4.32 118.70 119.08 2wrf s GLU 221 Ca 0.72 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.59 2wrf s GLU 221 Cb -0.08 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.63 2wrf s GLU 221 CO 0.56 -0.01 -0.14 0.08 0.02 0.00 0.00 175.26 175.77 2wrf s VAL 222 N 1.26 2.24 -1.41 2.63 1.01 -0.12 -4.50 120.40 121.52 2wrf s VAL 222 Ca 0.11 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 2wrf s VAL 222 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2wrf s VAL 222 CO 0.06 0.25 1.12 0.59 0.00 0.00 0.00 175.10 177.12 2wrf n ASN 223 N 4.55 -6.03 -1.18 3.32 4.13 -1.26 -2.00 115.26 116.80 2wrf n ASN 223 Ca -0.17 -0.58 -0.15 0.00 1.68 0.00 0.00 54.58 55.35 2wrf n ASN 223 Cb 0.46 -4.76 -0.07 0.00 -1.54 0.00 0.00 39.78 33.88 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 -1.92 1.49 3.41 7.41 0.00 -1.26 -4.26 105.19 110.06 2wrf n GLY 224 Ca 0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.27 2.26 -0.02 1.61 -1.52 -0.84 -4.99 119.66 112.90 2wrf s GLN 225 Ca 0.00 -0.84 0.16 0.00 -1.95 0.00 0.00 55.36 52.72 2wrf s GLN 225 Cb 0.00 -2.21 -0.23 0.00 -0.22 0.00 0.00 33.01 30.35 2wrf s GLN 225 CO 0.00 0.58 0.43 0.41 -0.25 0.00 0.00 175.29 176.47 2wrf n GLY 226 N 2.20 -0.65 3.68 3.09 0.00 -1.26 -0.94 105.19 111.31 2wrf n GLY 226 Ca -0.17 -0.39 -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 -3.45 1.58 -0.10 -0.02 0.00 -1.26 -4.59 107.32 99.48 2wrf s GLY 227 Ca -0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 2wrf s GLY 227 CO 0.65 0.07 0.26 0.50 0.00 0.00 0.00 173.10 174.58 2wrf s ARG 228 N -5.21 0.30 -0.24 2.90 1.81 -0.73 -4.68 118.95 113.10 2wrf s ARG 228 Ca 0.67 0.39 -0.02 0.00 -1.72 0.00 0.00 55.73 55.06 2wrf s ARG 228 Cb -0.14 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.49 2wrf s ARG 228 CO 0.56 -0.05 -0.06 -1.64 -0.68 0.00 0.00 175.30 173.43 2wrf s MET 229 N 0.29 2.94 -0.44 3.54 -1.94 -0.00 0.59 119.30 124.28 2wrf s MET 229 Ca -0.01 -0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 52.88 2wrf s MET 229 Cb -0.03 -2.98 0.03 0.00 2.01 0.00 0.00 34.83 33.86 2wrf s MET 229 CO -0.01 -0.36 0.47 -2.00 -0.01 0.00 0.00 175.02 173.11 2wrf s GLU 230 N 1.35 3.09 0.12 2.03 2.12 -0.37 -2.04 118.70 125.00 2wrf s GLU 230 Ca 0.01 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.42 2wrf s GLU 230 Cb -0.16 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.16 2wrf s GLU 230 CO -0.04 -0.94 0.41 -0.06 -0.54 0.00 0.00 175.26 174.09 2wrf s PHE 231 N 2.17 3.52 0.18 5.30 0.08 0.20 -2.07 117.98 127.36 2wrf s PHE 231 Ca 0.12 0.72 -0.01 0.00 0.12 0.00 0.00 56.93 57.88 2wrf s PHE 231 Cb -0.18 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2wrf s PHE 231 CO 0.13 0.45 0.09 -1.12 -0.10 0.00 0.00 175.22 174.67 2wrf s SER 232 N -2.07 0.38 0.16 1.36 0.01 -0.01 -0.76 113.70 112.76 2wrf s SER 232 Ca 0.38 -1.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.21 2wrf s SER 232 Cb -0.13 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2wrf s SER 232 CO 0.21 -0.77 0.34 -1.66 0.41 0.00 0.00 173.24 171.77 2wrf s TRP 233 N -4.05 0.19 0.20 2.43 1.48 -1.26 -1.27 118.94 116.67 2wrf s TRP 233 Ca 0.32 -0.56 -0.17 0.00 -1.06 0.00 0.00 56.10 54.64 2wrf s TRP 233 Cb 0.07 0.08 0.02 0.00 -1.16 0.00 0.00 33.47 32.49 2wrf s TRP 233 CO 0.08 -0.75 0.51 -0.08 -4.06 0.00 0.00 176.95 172.65 2wrf s THR 234 N -3.92 0.03 -0.22 0.66 -1.32 -0.62 -5.01 115.64 105.24 2wrf s THR 234 Ca 0.13 -0.85 -0.08 0.00 -1.21 0.00 0.00 61.69 59.67 2wrf s THR 234 Cb 0.02 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 2wrf s THR 234 CO -0.03 -0.12 0.09 -0.63 -2.21 0.00 0.00 174.62 171.72 2wrf s ILE 235 N -3.89 4.78 -0.42 5.08 -1.09 -1.26 -1.44 121.20 122.96 2wrf s ILE 235 Ca 0.10 -0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.30 2wrf s ILE 235 Cb -0.01 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 2wrf s ILE 235 CO -0.02 0.39 0.59 -0.22 -1.23 0.00 0.00 174.94 174.45 2wrf s LEU 236 N 0.91 4.53 0.92 2.97 2.96 0.31 -4.89 118.68 126.39 2wrf s LEU 236 Ca 0.05 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 2wrf s LEU 236 Cb -0.14 -2.65 0.15 0.00 0.50 0.00 0.00 46.19 44.05 2wrf s LEU 236 CO 0.03 -0.69 1.11 -0.62 -1.32 0.00 0.00 176.35 174.86 2wrf s ASP 237 N 1.92 3.02 0.24 3.68 3.68 -1.26 -1.28 116.67 126.67 2wrf s ASP 237 Ca 0.20 1.93 -0.30 0.00 2.13 0.00 0.00 52.55 56.51 2wrf s ASP 237 Cb -0.15 -2.47 -0.10 0.00 -1.45 0.00 0.00 42.92 38.75 2wrf s ASP 237 CO 0.17 -3.00 1.49 -0.63 0.13 0.00 0.00 175.17 173.33 2wrf s ILE 238 N -2.71 2.54 -0.11 4.11 1.01 -1.26 -2.13 121.20 122.65 2wrf s ILE 238 Ca 0.65 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2wrf s ILE 238 Cb -0.21 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2wrf s ILE 238 CO 0.58 0.06 0.00 0.79 0.00 0.00 0.00 174.94 176.38 2wrf n TRP 239 N 2.56 0.00 -3.79 3.97 5.03 0.14 -4.99 117.44 120.36 2wrf n TRP 239 Ca 0.08 0.00 -0.27 0.00 3.03 0.00 0.00 57.50 60.34 2wrf n TRP 239 Cb 0.39 -1.26 -0.03 0.00 -1.03 0.00 0.00 31.31 29.39 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 -2.07 6.37 0.05 -0.99 2.15 -0.90 -4.78 116.67 116.50 2wrf s ASP 240 Ca 0.00 0.31 0.08 0.00 0.43 0.00 0.00 52.55 53.37 2wrf s ASP 240 Cb 0.00 -1.97 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2wrf s ASP 240 CO 0.00 -0.01 -0.20 0.42 -0.17 0.00 0.00 175.17 175.21 2wrf s THR 241 N -1.83 2.65 -0.12 1.71 -4.23 -1.26 -1.00 115.64 111.56 2wrf s THR 241 Ca 0.37 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2wrf s THR 241 Cb -0.11 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2wrf s THR 241 CO 0.29 0.31 -0.14 -0.51 -0.54 0.00 0.00 174.62 174.03 2wrf s ILE 242 N -0.93 2.98 -0.22 2.99 2.07 -0.33 -4.39 121.20 123.37 2wrf s ILE 242 Ca 0.14 -0.69 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 2wrf s ILE 242 Cb -0.10 -2.24 0.01 0.00 0.13 0.00 0.00 42.46 40.26 2wrf s ILE 242 CO 0.05 0.53 -0.11 0.20 -1.91 0.00 0.00 174.94 173.71 2wrf s ASN 243 N 0.29 3.90 0.13 4.50 0.02 -0.23 -1.82 114.94 121.72 2wrf s ASN 243 Ca -0.10 -0.67 -0.12 0.00 -1.02 0.00 0.00 52.86 50.95 2wrf s ASN 243 Cb -0.16 -1.62 -0.07 0.00 0.02 0.00 0.00 41.25 39.43 2wrf s ASN 243 CO 0.06 -0.05 0.49 -0.36 0.02 0.00 0.00 177.10 177.26 2wrf s PHE 244 N 1.35 3.59 -0.19 2.20 0.08 0.27 -1.97 117.98 123.32 2wrf s PHE 244 Ca 0.03 0.95 -0.08 0.00 0.12 0.00 0.00 56.93 57.95 2wrf s PHE 244 Cb -0.15 -2.29 0.08 0.00 -0.57 0.00 0.00 43.02 40.10 2wrf s PHE 244 CO -0.07 0.45 0.42 -2.00 -0.10 0.00 0.00 175.22 173.92 2wrf s GLU 245 N -1.99 0.35 -0.06 0.44 2.12 -0.67 -2.32 118.70 116.56 2wrf s GLU 245 Ca 0.37 0.95 -0.03 0.00 0.36 0.00 0.00 54.97 56.62 2wrf s GLU 245 Cb -0.14 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.48 2wrf s GLU 245 CO 0.19 -0.22 0.14 0.45 -0.54 0.00 0.00 175.26 175.28 2wrf s SER 246 N 2.18 -0.11 -0.54 -1.70 0.15 -0.04 -0.72 113.70 112.93 2wrf s SER 246 Ca -0.04 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 2wrf s SER 246 Cb -0.11 0.18 0.40 0.00 -1.71 0.00 0.00 66.02 64.78 2wrf s SER 246 CO -0.13 -0.14 2.00 0.35 1.20 0.00 0.00 173.24 176.52 2wrf n THR 247 N 4.13 3.31 0.00 6.45 -2.24 -0.94 0.30 114.28 125.29 2wrf n THR 247 Ca -0.26 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.11 2wrf n THR 247 Cb 0.52 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.56 3.09 1.63 3.38 0.00 -1.26 -4.37 105.19 107.10 2wrf n GLY 248 Ca 0.52 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.75 1.61 3.02 -1.26 -3.83 115.26 110.06 2wrf n ASN 249 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2wrf n ASN 249 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.85 3.41 2.96 -1.26 -1.08 118.68 126.44 2wrf s LEU 250 Ca 0.00 1.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 2wrf s LEU 250 Cb 0.00 -3.53 0.21 0.00 0.50 0.00 0.00 46.19 43.37 2wrf s LEU 250 CO 0.00 0.08 0.72 -0.63 -1.32 0.00 0.00 176.35 175.20 2wrf s ILE 251 N -0.69 4.26 0.82 6.68 -1.09 -0.55 -3.60 121.20 127.02 2wrf s ILE 251 Ca 0.42 -3.71 -0.11 0.00 -2.23 0.00 0.00 60.65 55.02 2wrf s ILE 251 Cb -0.24 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.06 2wrf s ILE 251 CO 0.30 -1.05 1.12 0.00 -1.23 0.00 0.00 174.94 174.07 2wrf s ALA 252 N -1.13 1.98 0.49 9.38 0.00 -1.11 -1.41 121.76 129.96 2wrf s ALA 252 Ca 0.26 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2wrf s ALA 252 Cb -0.09 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 2wrf s ALA 252 CO -0.11 -2.11 0.93 -2.14 0.00 0.00 0.00 175.76 172.33 2wrf s PRO 253 N -4.73 3.90 -0.15 0.00 0.02 -1.26 -0.99 135.00 131.79 2wrf s PRO 253 Ca 0.64 0.82 0.11 0.00 0.02 0.00 0.00 61.00 62.58 2wrf s PRO 253 Cb -0.20 -2.20 -0.17 0.00 0.02 0.00 0.00 34.50 31.95 2wrf s PRO 253 CO 0.56 -0.21 0.01 -1.91 -0.33 0.00 0.00 177.00 175.11 2wrf n GLU 254 N -1.52 1.38 -4.42 5.54 2.13 -0.35 -4.51 120.64 118.88 2wrf n GLU 254 Ca 0.05 0.02 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2wrf n GLU 254 Cb 0.54 -1.38 -0.12 0.00 0.27 0.00 0.00 31.44 30.76 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 -2.36 2.57 0.44 4.31 2.02 -1.22 -0.94 117.35 122.18 2wrf s TYR 255 Ca -0.11 -0.24 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 2wrf s TYR 255 Cb 0.05 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2wrf s TYR 255 CO 0.56 0.35 0.30 0.20 -1.57 0.00 0.00 175.55 175.39 2wrf s GLY 256 N -1.90 2.27 -0.25 0.71 0.00 0.16 -4.72 107.32 103.59 2wrf s GLY 256 Ca 0.17 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 43.07 2wrf s GLY 256 CO 0.09 -1.83 -0.04 -1.36 0.00 0.00 0.00 173.10 169.95 2wrf s PHE 257 N -2.58 2.64 0.28 1.90 0.08 0.02 -1.26 117.98 119.06 2wrf s PHE 257 Ca 0.42 -1.98 -0.30 0.00 0.12 0.00 0.00 56.93 55.20 2wrf s PHE 257 Cb -0.00 -1.78 -0.10 0.00 -0.57 0.00 0.00 43.02 40.57 2wrf s PHE 257 CO 0.24 -0.82 1.44 0.15 -0.10 0.00 0.00 175.22 176.13 2wrf s LYS 258 N 1.31 4.25 0.00 0.44 1.02 0.14 -0.29 119.74 126.61 2wrf s LYS 258 Ca -0.04 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.30 2wrf s LYS 258 Cb -0.19 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2wrf s LYS 258 CO -0.07 -0.41 0.00 1.51 -0.92 0.00 0.00 175.35 175.45 2wrf n ILE 259 N 1.81 0.00 0.00 2.17 3.06 -0.39 -1.47 119.36 124.54 2wrf n ILE 259 Ca 0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 2wrf n ILE 259 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 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 -3.93 9.51 2.88 -1.22 -3.79 113.62 117.08 2wrf n SER 260 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2wrf n SER 260 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 2wrf n SER 260 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wrf n LYS 261 N 0.00 -1.03 0.00 -1.46 5.02 -1.26 -0.53 118.16 118.90 2wrf n LYS 261 Ca 0.00 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 2wrf n LYS 261 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2wrf n LYS 261 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wrf n ARG 262 N -3.52 0.00 -0.02 1.97 1.85 -1.26 -4.81 116.66 110.87 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 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 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 2.49 2.73 2.89 0.00 -1.26 -5.13 105.19 106.91 2wrf n GLY 263 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 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 1.95 0.72 0.00 1.61 0.15 -1.26 -4.77 113.70 112.10 2wrf s SER 264 Ca 0.00 -1.80 0.00 0.00 0.70 0.00 0.00 55.95 54.85 2wrf s SER 264 Cb 0.00 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2wrf s SER 264 CO 0.00 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 173.99 2wrf n SER 265 N 3.86 0.00 -3.21 5.45 2.88 -1.26 -4.63 113.62 116.71 2wrf n SER 265 Ca 0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 2wrf n SER 265 Cb 0.47 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.22 -0.27 0.46 0.00 -1.26 -4.80 107.32 101.66 2wrf s GLY 266 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.08 2wrf s GLY 266 CO 0.00 0.01 0.06 -0.42 0.00 0.00 0.00 173.10 172.75 2wrf s ILE 267 N -2.69 3.98 -0.12 0.90 1.01 -1.26 -3.06 121.20 119.95 2wrf s ILE 267 Ca 0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2wrf s ILE 267 Cb -0.05 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2wrf s ILE 267 CO 0.09 0.20 0.69 -0.32 0.00 0.00 0.00 174.94 175.60 2wrf s MET 268 N 1.53 4.35 -0.55 2.79 -2.45 0.72 -4.83 119.30 120.86 2wrf s MET 268 Ca 0.04 0.80 -0.17 0.00 -1.25 0.00 0.00 55.69 55.11 2wrf s MET 268 Cb -0.16 -3.50 0.11 0.00 1.25 0.00 0.00 34.83 32.52 2wrf s MET 268 CO 0.02 -0.07 0.58 0.15 1.05 0.00 0.00 175.02 176.75 2wrf s LYS 269 N 1.30 3.02 0.31 4.11 1.02 -1.26 -1.83 119.74 126.40 2wrf s LYS 269 Ca 0.34 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.93 2wrf s LYS 269 Cb -0.17 -4.25 -0.03 0.00 -0.52 0.00 0.00 37.83 32.86 2wrf s LYS 269 CO 0.14 -1.37 0.21 -0.08 -0.92 0.00 0.00 175.35 173.33 2wrf s THR 270 N 2.11 0.15 -0.13 2.17 -1.32 -1.12 -4.86 115.64 112.64 2wrf s THR 270 Ca 0.07 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.66 2wrf s THR 270 Cb -0.26 -2.49 0.19 0.00 -1.51 0.00 0.00 72.50 68.43 2wrf s THR 270 CO 0.05 0.00 1.12 -0.62 -2.21 0.00 0.00 174.62 172.96 2wrf n GLU 271 N -0.58 2.17 -0.22 7.08 -0.58 -1.26 -3.77 120.64 123.48 2wrf n GLU 271 Ca 0.03 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.63 2wrf n GLU 271 Cb 0.64 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.89 1.03 3.19 0.62 0.00 -1.26 -5.11 105.19 102.76 2wrf n GLY 272 Ca 0.10 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 1.04 -0.92 0.60 2.61 -4.23 -1.26 -4.93 115.64 108.55 2wrf s THR 273 Ca 0.00 -0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2wrf s THR 273 Cb 0.00 -0.95 -0.08 0.00 1.34 0.00 0.00 72.50 72.81 2wrf s THR 273 CO 0.00 -0.02 0.51 0.00 -0.54 0.00 0.00 174.62 174.57 2wrf n LEU 274 N 5.42 0.70 -0.43 4.79 -0.00 -1.26 -4.78 117.00 121.44 2wrf n LEU 274 Ca -0.03 0.71 0.04 0.00 -0.00 0.00 0.00 56.01 56.72 2wrf n LEU 274 Cb 0.51 -1.17 0.05 0.00 -0.00 0.00 0.00 43.42 42.80 2wrf n LEU 274 CO 0.02 -3.10 0.34 -1.84 -0.00 0.00 0.00 177.39 172.82 2wrf n GLU 275 N -0.13 0.47 -2.08 1.47 0.28 -1.02 -5.01 120.64 114.62 2wrf n GLU 275 Ca 0.11 -1.66 -0.01 0.00 -0.16 0.00 0.00 57.16 55.44 2wrf n GLU 275 Cb 0.48 -0.83 0.00 0.00 1.43 0.00 0.00 31.44 32.52 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 -0.47 -4.78 0.00 -1.84 2.85 -1.26 -5.08 115.26 104.68 2wrf n ASN 276 Ca 0.06 0.54 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2wrf n ASN 276 Cb 0.71 -3.02 0.00 0.00 1.24 0.00 0.00 39.78 38.71 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 2.76 0.23 0.00 0.00 2.56 -1.26 -4.41 118.70 118.57 2wrf s GLU 278 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.83 2wrf s GLU 278 Cb 0.00 0.07 0.00 0.00 2.00 0.00 0.00 34.13 36.20 2wrf s GLU 278 CO 0.00 -0.11 0.00 -2.37 -0.56 0.00 0.00 175.26 172.22 2wrf n THR 279 N -0.71 0.00 1.93 -1.70 5.66 -1.18 -4.79 114.28 113.49 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 0.79 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.89 1.08 -3.57 1.09 3.00 -1.26 -3.13 118.16 114.47 2wrf n LYS 280 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.31 58.17 2wrf n LYS 280 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 35.03 33.54 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 2.82 2.09 0.02 0.00 2.00 -0.67 -2.11 119.66 123.81 2wrf s GLN 282 Ca -0.01 -1.03 0.04 0.00 -2.00 0.00 0.00 55.36 52.37 2wrf s GLN 282 Cb -0.13 -2.27 -0.02 0.00 0.80 0.00 0.00 33.01 31.39 2wrf s GLN 282 CO -0.18 0.51 -0.11 0.99 -0.50 0.00 0.00 175.29 176.00 2wrf s THR 283 N -1.16 0.87 0.14 -0.34 2.01 -0.69 -0.96 115.64 115.51 2wrf s THR 283 Ca 0.20 -0.74 0.17 0.00 0.31 0.00 0.00 61.69 61.63 2wrf s THR 283 Cb -0.11 -0.78 0.17 0.00 0.01 0.00 0.00 72.50 71.79 2wrf s THR 283 CO 0.12 0.05 1.45 -0.65 -0.69 0.00 0.00 174.62 174.89 2wrf h PRO 284 N 5.31 0.00 0.00 4.92 0.11 -1.95 -0.32 132.00 140.08 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wrf h PRO 284 CO 0.46 0.00 -1.61 1.28 -0.21 0.00 0.00 178.00 177.92 2wrf n LEU 285 N -2.24 0.06 0.00 2.35 4.77 -1.26 -4.93 117.00 115.75 2wrf n LEU 285 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2wrf n LEU 285 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2wrf n LEU 285 CO 0.08 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2wrf n GLY 286 N 1.61 2.08 3.87 -0.72 0.00 -0.13 -4.25 105.19 107.66 2wrf n GLY 286 Ca -0.02 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 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 3.41 -0.15 4.61 0.00 -1.08 -1.71 121.76 124.84 2wrf s ALA 287 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2wrf s ALA 287 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2wrf s ALA 287 CO 0.00 0.17 -0.05 0.42 0.00 0.00 0.00 175.76 176.31 2wrf s ILE 288 N -2.17 3.78 -0.39 0.00 1.01 -0.90 0.15 121.20 122.68 2wrf s ILE 288 Ca 0.50 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2wrf s ILE 288 Cb -0.10 -2.65 0.11 0.00 0.01 0.00 0.00 42.46 39.83 2wrf s ILE 288 CO 0.27 0.50 0.13 0.21 0.00 0.00 0.00 174.94 176.04 2wrf s ASN 289 N 0.35 4.80 0.32 3.58 2.47 -1.26 -4.49 114.94 120.71 2wrf s ASN 289 Ca -0.05 -2.31 -0.11 0.00 0.42 0.00 0.00 52.86 50.80 2wrf s ASN 289 Cb -0.14 -1.68 0.05 0.00 -1.45 0.00 0.00 41.25 38.03 2wrf s ASN 289 CO 0.03 -0.38 0.63 1.07 -3.72 0.00 0.00 177.10 174.73 2wrf n THR 290 N 4.08 0.00 -0.60 -5.21 5.66 -1.26 -5.05 114.28 111.90 2wrf n THR 290 Ca 0.03 -0.86 0.00 0.00 -3.05 0.00 0.00 64.05 60.17 2wrf n THR 290 Cb 0.40 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 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 -0.44 0.00 -2.73 1.09 -2.24 -1.26 -5.08 114.28 103.62 2wrf n THR 291 Ca -0.07 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 2wrf n THR 291 Cb 0.49 1.60 -0.06 0.00 -2.10 0.00 0.00 70.33 70.26 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 -0.02 4.41 0.00 3.22 1.43 -1.26 -4.91 118.68 121.55 2wrf s LEU 292 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2wrf s LEU 292 Cb 0.00 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2wrf s LEU 292 CO 0.00 -0.06 0.85 -2.65 0.23 0.00 0.00 176.35 174.72 2wrf n PRO 293 N 0.77 0.00 -3.79 1.29 -0.02 -1.23 -4.60 135.00 127.41 2wrf n PRO 293 Ca 0.01 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.72 2wrf n PRO 293 Cb 0.49 -1.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.28 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 -2.69 -0.14 0.25 6.00 0.08 -1.22 -2.58 117.98 117.67 2wrf s PHE 294 Ca 0.00 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.28 2wrf s PHE 294 Cb 0.00 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.46 2wrf s PHE 294 CO 0.00 -0.33 0.09 -3.38 -0.10 0.00 0.00 175.22 171.49 2wrf s HIS 295 N -1.16 1.49 -0.04 0.36 -3.43 -1.21 -0.45 115.29 110.85 2wrf s HIS 295 Ca -0.12 -1.17 0.14 0.00 -0.80 0.00 0.00 55.06 53.10 2wrf s HIS 295 Cb -0.05 -0.86 0.25 0.00 -1.43 0.00 0.00 32.58 30.48 2wrf s HIS 295 CO 0.03 -0.33 1.11 0.27 -2.00 0.00 0.00 174.74 173.82 2wrf n ASN 296 N -0.43 0.89 0.14 7.38 6.94 -1.06 -0.70 115.26 128.41 2wrf n ASN 296 Ca -0.01 -2.38 -0.07 0.00 -0.02 0.00 0.00 54.58 52.11 2wrf n ASN 296 Cb 0.66 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.74 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 5.34 0.00 -1.99 1.53 2.04 -1.87 -3.49 117.51 119.07 2wrf h ILE 297 Ca -0.09 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2wrf h ILE 297 Cb 1.48 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 37.35 2wrf h ILE 297 CO 0.04 0.00 0.09 -2.28 0.00 0.00 0.00 178.15 176.00 2wrf s HIS 298 N -2.96 -0.90 0.05 1.37 5.04 -1.26 -5.03 115.29 111.60 2wrf s HIS 298 Ca -0.06 2.00 -0.24 0.00 -1.54 0.00 0.00 55.06 55.21 2wrf s HIS 298 Cb 0.01 0.42 -0.17 0.00 0.04 0.00 0.00 32.58 32.88 2wrf s HIS 298 CO 0.19 -0.44 1.56 -1.35 -2.34 0.00 0.00 174.74 172.36 2wrf h PRO 299 N 5.80 -0.04 -3.83 2.88 0.11 -1.97 -3.34 132.00 131.61 2wrf h PRO 299 Ca -0.29 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.15 2wrf h PRO 299 Cb 1.19 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wrf h PRO 299 CO 0.10 0.14 3.12 1.28 -0.21 0.00 0.00 178.00 182.43 2wrf n LEU 300 N -5.02 6.67 -4.92 2.35 4.77 -1.26 -4.92 117.00 114.67 2wrf n LEU 300 Ca -0.08 -3.89 -0.26 0.00 -0.03 0.00 0.00 56.01 51.75 2wrf n LEU 300 Cb 0.12 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 39.73 2wrf n LEU 300 CO 0.33 1.03 0.51 0.42 -1.33 0.00 0.00 177.39 178.35 2wrf s THR 301 N 3.30 3.53 -0.20 -5.08 -4.23 -1.26 -4.34 115.64 107.37 2wrf s THR 301 Ca 0.53 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 2wrf s THR 301 Cb 0.15 -3.40 0.06 0.00 1.34 0.00 0.00 72.50 70.65 2wrf s THR 301 CO -0.05 -0.39 0.07 -0.63 -0.54 0.00 0.00 174.62 173.08 2wrf s ILE 302 N -2.96 0.26 -1.69 2.99 1.01 -0.13 -4.82 121.20 115.86 2wrf s ILE 302 Ca 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2wrf s ILE 302 Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2wrf s ILE 302 CO 0.44 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2wrf n GLY 303 N 5.15 0.34 3.28 6.18 0.00 -1.26 -1.67 105.19 117.20 2wrf n GLY 303 Ca -0.08 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 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 2.61 -0.07 1.61 2.02 -0.44 -4.77 118.70 117.66 2wrf s GLU 304 Ca 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.64 2wrf s GLU 304 Cb 0.00 -3.73 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2wrf s GLU 304 CO 0.00 -0.90 -0.23 0.00 0.02 0.00 0.00 175.26 174.15 2wrf n PRO 306 N 2.99 0.42 -0.52 0.00 -0.02 -1.26 -4.66 135.00 131.95 2wrf n PRO 306 Ca -0.18 0.08 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 2wrf n PRO 306 Cb 0.52 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 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 8.18 0.00 -1.70 -0.52 3.00 -1.07 -3.30 118.16 122.76 2wrf n LYS 307 Ca 0.53 0.00 -0.56 0.00 -0.00 0.00 0.00 58.31 58.28 2wrf n LYS 307 Cb 0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 35.03 34.73 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 1.93 2.04 -4.39 5.64 9.36 -1.26 -4.16 117.16 126.32 2wrf n TYR 308 Ca 0.23 0.48 -0.24 0.00 3.32 0.00 0.00 57.90 61.69 2wrf n TYR 308 Cb 0.05 -2.47 -0.09 0.00 -0.63 0.00 0.00 39.34 36.20 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 3.30 2.84 -0.34 2.97 -7.23 0.12 -4.80 120.40 117.26 2wrf s VAL 309 Ca 0.96 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2wrf s VAL 309 Cb -1.01 -2.57 0.48 0.00 0.56 0.00 0.00 36.38 33.84 2wrf s VAL 309 CO 0.62 -0.36 1.69 1.17 -0.31 0.00 0.00 175.10 177.91 2wrf n LYS 310 N -0.77 1.93 -4.32 4.82 4.81 -1.26 -4.27 118.16 119.10 2wrf n LYS 310 Ca -0.05 -2.21 -0.30 0.00 -0.87 0.00 0.00 58.31 54.88 2wrf n LYS 310 Cb 0.60 -1.87 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 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 -0.68 4.03 0.22 3.14 1.04 -1.26 -5.03 113.70 115.15 2wrf s SER 311 Ca 0.42 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.46 2wrf s SER 311 Cb 0.35 -0.64 0.12 0.00 0.10 0.00 0.00 66.02 65.95 2wrf s SER 311 CO 0.08 0.19 1.47 -0.08 0.98 0.00 0.00 173.24 175.87 2wrf h GLU 312 N 3.78 0.00 -1.97 4.02 4.57 -1.99 -3.45 114.58 119.55 2wrf h GLU 312 Ca -0.49 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2wrf h GLU 312 Cb 1.17 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.56 2wrf h GLU 312 CO 0.48 0.75 0.31 -0.98 -1.18 0.00 0.00 179.01 178.38 2wrf s ARG 313 N -3.17 0.93 -0.26 1.92 1.70 -1.26 -5.07 118.95 113.75 2wrf s ARG 313 Ca 0.00 0.14 -0.04 0.00 -0.47 0.00 0.00 55.73 55.37 2wrf s ARG 313 Cb 0.11 0.44 0.09 0.00 -0.57 0.00 0.00 34.95 35.02 2wrf s ARG 313 CO 0.78 -0.31 0.13 -0.51 -1.08 0.00 0.00 175.30 174.31 2wrf s LEU 314 N -1.35 0.44 -0.15 -1.89 1.43 -1.26 -4.97 118.68 110.93 2wrf s LEU 314 Ca -0.07 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 51.96 2wrf s LEU 314 Cb -0.00 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.96 2wrf s LEU 314 CO 0.05 -0.42 -0.21 0.68 0.23 0.00 0.00 176.35 176.69 2wrf s VAL 315 N 2.13 2.12 -0.05 -1.59 -7.23 -1.26 -1.48 120.40 113.03 2wrf s VAL 315 Ca 0.07 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.06 2wrf s VAL 315 Cb -0.16 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2wrf s VAL 315 CO -0.30 0.54 0.70 -0.76 -0.31 0.00 0.00 175.10 174.97 2wrf s LEU 316 N 0.93 4.33 0.06 1.32 1.43 0.65 -4.63 118.68 122.76 2wrf s LEU 316 Ca -0.04 1.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 2wrf s LEU 316 Cb -0.15 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 2wrf s LEU 316 CO -0.04 -0.10 1.28 0.00 0.23 0.00 0.00 176.35 177.72 2wrf s ALA 317 N 0.69 3.48 -0.10 4.21 0.00 -1.26 -0.62 121.76 128.15 2wrf s ALA 317 Ca 0.37 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 2wrf s ALA 317 Cb -0.18 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 2wrf s ALA 317 CO 0.18 -0.58 -0.10 0.25 0.00 0.00 0.00 175.76 175.51 2wrf n THR 318 N 4.11 0.59 -1.40 0.00 -2.24 -0.85 -4.92 114.28 109.57 2wrf n THR 318 Ca 0.10 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2wrf n THR 318 Cb 0.45 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 2.91 0.74 3.81 3.38 0.00 0.15 -4.97 105.19 111.22 2wrf n GLY 319 Ca -0.19 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 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 3.32 0.24 0.99 2.34 -1.26 -4.78 118.68 119.53 2wrf s LEU 320 Ca 0.00 -0.80 -0.31 0.00 0.06 0.00 0.00 54.13 53.07 2wrf s LEU 320 Cb 0.00 -1.85 -0.12 0.00 -0.56 0.00 0.00 46.19 43.66 2wrf s LEU 320 CO 0.00 -0.51 1.65 -1.14 -1.06 0.00 0.00 176.35 175.28 2wrf n ARG 321 N -1.36 2.68 -3.04 1.48 0.63 -1.26 -0.70 116.66 115.08 2wrf n ARG 321 Ca 0.00 0.96 -0.45 0.00 -0.92 0.00 0.00 57.85 57.45 2wrf n ARG 321 Cb 0.62 -2.77 -0.03 0.00 0.45 0.00 0.00 32.46 30.74 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 0.83 6.58 -0.24 6.15 2.47 -0.66 -4.73 114.94 125.34 2wrf s ASN 322 Ca 0.70 -2.06 -0.15 0.00 0.42 0.00 0.00 52.86 51.77 2wrf s ASN 322 Cb -0.52 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 36.90 2wrf s ASN 322 CO 0.40 -0.98 0.37 0.68 -3.72 0.00 0.00 177.10 173.86 2wrf s VAL 323 N 2.16 5.20 0.00 -5.21 -7.23 -1.26 -4.86 120.40 109.21 2wrf s VAL 323 Ca 0.26 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2wrf s VAL 323 Cb -0.09 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2wrf s VAL 323 CO -0.06 0.21 0.00 -2.65 -0.31 0.00 0.00 175.10 172.29 2wrf n PRO 324 N 4.91 -0.29 0.00 4.82 -0.02 -1.26 -1.96 135.00 141.19 2wrf n PRO 324 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2wrf n PRO 324 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2wrf n PRO 324 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wrf n GLN 325 N -0.88 0.00 0.00 -0.52 7.27 -1.26 -3.49 117.38 118.50 2wrf n GLN 325 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2wrf n GLN 325 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2wrf n GLN 325 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wrf n GLY 330 N 0.00 -0.61 0.18 1.69 0.00 -1.10 -4.82 105.19 100.53 2wrf n GLY 330 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.27 0.99 3.38 -1.94 -1.74 115.31 113.73 2wrf h LEU 331 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wrf h LEU 331 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wrf h LEU 331 CO 0.00 0.00 -0.12 0.49 0.09 0.00 0.00 178.44 178.90 2wrf n PHE 332 N -2.13 0.00 0.00 1.13 3.72 -1.26 -5.04 117.46 113.88 2wrf n PHE 332 Ca -0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2wrf n PHE 332 Cb 0.36 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.49 2.08 0.00 1.37 0.00 -0.66 -4.84 105.19 102.66 2wrf n GLY 333 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.31 0.00 -1.70 4.61 0.00 -1.26 -1.51 120.51 120.95 2wrf n ALA 334 Ca 0.00 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 2wrf n ALA 334 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wrf n ALA 334 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrf n ILE 335 N -1.23 0.74 -2.05 0.00 5.41 -1.26 -0.33 119.36 120.64 2wrf n ILE 335 Ca 0.00 -0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.41 2wrf n ILE 335 Cb 0.00 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.19 2wrf n ILE 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrf n ALA 336 N 2.43 -0.53 -2.92 -1.39 0.00 -1.16 -2.73 120.51 114.21 2wrf n ALA 336 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2wrf n ALA 336 Cb 0.33 -1.68 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 -0.65 2.30 0.00 0.00 0.00 0.55 -4.70 105.19 102.68 2wrf n GLY 337 Ca -0.17 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2wrf n GLY 337 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wrf n PHE 338 N 0.00 0.00 -3.51 1.61 1.16 -0.57 -3.05 117.46 113.09 2wrf n PHE 338 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 2wrf n PHE 338 Cb 0.00 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.43 2wrf n PHE 338 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wrf s ILE 339 N -2.74 4.55 0.43 1.97 1.01 -1.05 -4.03 121.20 121.34 2wrf s ILE 339 Ca 0.08 -2.24 0.26 0.00 0.00 0.00 0.00 60.65 58.75 2wrf s ILE 339 Cb 0.07 -3.92 0.46 0.00 0.01 0.00 0.00 42.46 39.08 2wrf s ILE 339 CO 0.18 -0.88 1.69 -0.08 0.00 0.00 0.00 174.94 175.85 2wrf h GLU 340 N 7.95 0.19 0.00 2.79 4.57 -1.83 -3.07 114.58 125.18 2wrf h GLU 340 Ca -0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2wrf h GLU 340 Cb 1.04 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2wrf h GLU 340 CO 0.81 0.13 0.00 0.41 -1.18 0.00 0.00 179.01 179.18 2wrf n GLY 341 N -1.53 1.63 2.78 1.92 0.00 -1.26 -4.63 105.19 104.10 2wrf n GLY 341 Ca 0.32 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2wrf n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrf n GLY 342 N 0.00 2.31 3.37 -0.02 0.00 -0.83 -4.77 105.19 105.25 2wrf n GLY 342 Ca 0.00 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 2wrf n GLY 342 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wrf s TRP 343 N -1.74 2.70 -0.38 1.61 0.51 -0.82 -4.81 118.94 116.01 2wrf s TRP 343 Ca 0.35 -0.57 0.04 0.00 -2.12 0.00 0.00 56.10 53.80 2wrf s TRP 343 Cb -0.03 -1.74 0.35 0.00 -0.81 0.00 0.00 33.47 31.24 2wrf s TRP 343 CO 0.22 -0.13 1.31 1.04 -0.51 0.00 0.00 176.95 178.88 2wrf n GLN 344 N 3.12 2.08 -0.08 4.98 6.02 -1.26 -1.64 117.38 130.60 2wrf n GLN 344 Ca -0.18 -1.45 -0.10 0.00 -0.01 0.00 0.00 57.00 55.26 2wrf n GLN 344 Cb 0.52 -1.68 -0.11 0.00 1.02 0.00 0.00 30.24 30.00 2wrf n GLN 344 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wrf n GLY 345 N -0.06 -0.56 2.92 1.08 0.00 -1.26 -4.67 105.19 102.64 2wrf n GLY 345 Ca 0.23 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2wrf n GLY 345 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wrf n MET 346 N -2.76 1.21 -0.20 1.61 2.81 -1.24 -4.50 117.12 114.05 2wrf n MET 346 Ca -0.28 -1.26 0.03 0.00 -1.81 0.00 0.00 57.70 54.37 2wrf n MET 346 Cb 0.94 -2.45 0.11 0.00 -0.71 0.00 0.00 33.22 31.11 2wrf n MET 346 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wrf n VAL 347 N 5.13 0.58 -2.53 2.03 0.24 -1.26 -4.24 118.33 118.28 2wrf n VAL 347 Ca 0.35 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.28 2wrf n VAL 347 Cb 0.19 -0.18 0.05 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.16 1.82 0.00 -1.34 5.75 -1.26 -5.08 116.55 116.60 2wrf n ASP 348 Ca 0.08 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2wrf n ASP 348 Cb 0.38 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.31 3.15 0.09 6.12 0.00 -1.26 -4.34 105.19 108.63 2wrf n GLY 349 Ca 0.12 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 2wrf n GLY 349 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wrf h TRP 350 N 0.00 -0.08 -3.36 1.61 6.55 -1.91 -3.38 115.95 115.37 2wrf h TRP 350 Ca 0.00 -0.00 -0.65 0.00 0.95 0.00 0.00 58.89 59.19 2wrf h TRP 350 Cb 0.00 0.03 -0.21 0.00 -0.86 0.00 0.00 29.16 28.11 2wrf h TRP 350 CO 0.00 0.45 -0.68 0.71 -1.05 0.00 0.00 178.44 177.87 2wrf s TYR 351 N -3.73 3.00 0.00 0.49 2.02 -1.26 0.10 117.35 117.97 2wrf s TYR 351 Ca -0.15 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 2wrf s TYR 351 Cb 0.01 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2wrf s TYR 351 CO 0.61 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 175.03 2wrf n GLY 352 N 3.25 2.61 3.83 0.71 0.00 0.73 -0.27 105.19 116.05 2wrf n GLY 352 Ca -0.18 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 -6.73 2.70 -0.39 1.61 2.02 0.16 0.16 117.35 116.87 2wrf s TYR 353 Ca 0.00 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2wrf s TYR 353 Cb 0.00 -2.05 0.16 0.00 -0.40 0.00 0.00 41.96 39.67 2wrf s TYR 353 CO 0.00 0.01 0.42 -1.58 -1.57 0.00 0.00 175.55 172.83 2wrf s HIS 354 N -2.49 -0.34 0.60 2.71 5.65 2.73 -1.65 115.29 122.50 2wrf s HIS 354 Ca 0.45 -0.92 -0.14 0.00 0.25 0.00 0.00 55.06 54.70 2wrf s HIS 354 Cb -0.01 -0.36 -0.04 0.00 -1.18 0.00 0.00 32.58 30.99 2wrf s HIS 354 CO 0.26 -0.99 1.03 -3.38 -0.65 0.00 0.00 174.74 171.01 2wrf s HIS 355 N 1.24 3.27 -0.35 3.88 -3.43 -1.02 0.35 115.29 119.22 2wrf s HIS 355 Ca 0.20 1.44 -0.00 0.00 -0.80 0.00 0.00 55.06 55.89 2wrf s HIS 355 Cb -0.11 -2.86 0.12 0.00 -1.43 0.00 0.00 32.58 28.29 2wrf s HIS 355 CO -0.05 -0.85 0.17 -1.12 -2.00 0.00 0.00 174.74 170.89 2wrf s SER 356 N -3.35 3.58 0.08 7.38 0.01 -1.26 -3.72 113.70 116.41 2wrf s SER 356 Ca 0.59 -2.00 0.00 0.00 1.31 0.00 0.00 55.95 55.86 2wrf s SER 356 Cb -0.13 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2wrf s SER 356 CO 0.43 -0.35 0.00 -3.20 0.41 0.00 0.00 173.24 170.52 2wrf n ASN 357 N 4.35 0.00 -0.46 2.44 4.05 -1.02 -4.61 115.26 120.00 2wrf n ASN 357 Ca 0.04 -0.22 0.08 0.00 0.45 0.00 0.00 54.58 54.93 2wrf n ASN 357 Cb 0.39 0.00 0.32 0.00 1.23 0.00 0.00 39.78 41.71 2wrf n ASN 357 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2wrf n ASP 358 N -0.66 1.37 -3.54 1.20 2.03 -1.26 -4.36 116.55 111.32 2wrf n ASP 358 Ca 0.00 -1.76 -0.29 0.00 0.52 0.00 0.00 54.79 53.26 2wrf n ASP 358 Cb 0.00 -0.12 -0.13 0.00 -0.72 0.00 0.00 41.12 40.15 2wrf n ASP 358 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2wrf s GLN 359 N -1.77 0.59 0.00 -0.67 -0.21 -1.26 -5.13 119.66 111.21 2wrf s GLN 359 Ca 0.27 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.43 2wrf s GLN 359 Cb 0.14 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.67 2wrf s GLN 359 CO 0.21 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 172.65 2wrf n GLY 360 N 4.32 0.84 0.00 3.09 0.00 -1.26 -4.95 105.19 107.24 2wrf n GLY 360 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.50 0.00 0.00 1.61 7.64 -1.26 -2.43 113.62 118.68 2wrf n SER 361 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wrf n SER 361 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.96 3.70 3.68 0.23 0.00 -1.24 -4.80 105.19 107.72 2wrf n GLY 362 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 3.09 -0.10 1.61 2.02 -1.26 -2.42 117.35 120.28 2wrf s TYR 363 Ca 0.00 0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.74 2wrf s TYR 363 Cb 0.00 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 2wrf s TYR 363 CO 0.00 0.46 0.23 0.00 -1.57 0.00 0.00 175.55 174.67 2wrf s ALA 364 N -1.07 -0.51 0.52 3.71 0.00 -0.66 -4.98 121.76 118.78 2wrf s ALA 364 Ca 0.19 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 2wrf s ALA 364 Cb -0.11 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 2wrf s ALA 364 CO 0.10 -0.19 1.07 0.00 0.00 0.00 0.00 175.76 176.73 2wrf s ALA 365 N 1.26 2.79 -1.30 0.00 0.00 -1.26 0.36 121.76 123.61 2wrf s ALA 365 Ca -0.09 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 2wrf s ALA 365 Cb -0.11 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.83 2wrf s ALA 365 CO -0.08 -0.54 1.73 -3.47 0.00 0.00 0.00 175.76 173.40 2wrf n ASP 366 N -1.25 4.89 0.00 0.00 2.03 0.63 -4.76 116.55 118.09 2wrf n ASP 366 Ca 0.10 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.48 2wrf n ASP 366 Cb 0.52 -1.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 2wrf n ASP 366 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wrf n LYS 367 N 7.28 0.00 -0.04 -0.67 4.76 -1.26 -1.75 118.16 126.48 2wrf n LYS 367 Ca 0.46 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.86 2wrf n LYS 367 Cb 0.44 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.40 2wrf n LYS 367 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2wrf n GLU 368 N -0.62 2.50 0.02 1.97 2.13 -1.26 -3.47 120.64 121.91 2wrf n GLU 368 Ca 0.00 -0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 2wrf n GLU 368 Cb 0.00 -1.22 -0.14 0.00 0.27 0.00 0.00 31.44 30.35 2wrf n GLU 368 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wrf h SER 369 N 0.00 0.31 -0.34 4.31 0.87 -1.71 -2.72 113.55 114.28 2wrf h SER 369 Ca -0.24 -0.59 0.07 0.00 -1.23 0.00 0.00 61.79 59.81 2wrf h SER 369 Cb 1.53 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.31 2wrf h SER 369 CO 0.01 1.51 -0.23 0.74 -0.53 0.00 0.00 176.83 178.33 2wrf h THR 370 N 0.05 0.38 -0.91 2.23 2.02 -1.68 0.87 112.91 115.88 2wrf h THR 370 Ca -0.33 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.96 2wrf h THR 370 Cb 2.03 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 68.74 2wrf h THR 370 CO 0.11 0.00 0.54 -0.61 0.37 0.00 0.00 175.52 175.93 2wrf h GLN 371 N -0.19 0.85 -0.13 6.66 5.75 -1.59 0.13 115.11 126.59 2wrf h GLN 371 Ca 0.17 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 2wrf h GLN 371 Cb 0.46 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 2wrf h GLN 371 CO -0.45 0.56 -0.66 -0.22 -2.65 0.00 0.00 178.83 175.41 2wrf h LYS 372 N 0.87 0.53 -0.52 1.69 3.64 -1.03 -1.70 116.57 120.05 2wrf h LYS 372 Ca 0.44 -0.39 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2wrf h LYS 372 Cb 0.43 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2wrf h LYS 372 CO -0.26 1.01 -0.05 0.00 -2.27 0.00 0.00 179.45 177.88 2wrf h ALA 373 N 0.89 0.94 0.43 5.00 0.00 0.07 -1.64 119.26 124.95 2wrf h ALA 373 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2wrf h ALA 373 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2wrf h ALA 373 CO 0.12 0.63 -0.41 0.27 0.00 0.00 0.00 179.25 179.86 2wrf h PHE 374 N 0.83 -1.13 -0.82 0.00 -0.00 -0.61 0.47 116.94 115.68 2wrf h PHE 374 Ca 0.15 0.01 0.17 0.00 -0.00 0.00 0.00 57.97 58.30 2wrf h PHE 374 Cb 0.56 0.44 -0.15 0.00 -0.00 0.00 0.00 35.95 36.80 2wrf h PHE 374 CO 0.03 -0.55 -0.14 -0.44 -0.00 0.00 0.00 178.31 177.21 2wrf h ASP 375 N -0.84 -0.65 0.20 -0.68 3.32 -1.19 -1.49 116.42 115.10 2wrf h ASP 375 Ca -0.06 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2wrf h ASP 375 Cb 0.72 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2wrf h ASP 375 CO -0.04 -0.26 -0.11 1.23 -1.72 0.00 0.00 179.24 178.34 2wrf h GLY 376 N 0.02 -0.42 -0.27 2.75 0.00 -1.04 -2.96 103.07 101.15 2wrf h GLY 376 Ca 0.42 0.17 0.28 0.00 0.00 0.00 0.00 47.33 48.19 2wrf h GLY 376 CO -0.81 -0.15 0.63 -2.22 0.00 0.00 0.00 176.54 173.99 2wrf h ILE 377 N -0.29 0.46 -0.53 2.60 5.03 -0.47 -1.02 117.51 123.30 2wrf h ILE 377 Ca -0.03 -0.15 0.11 0.00 -0.12 0.00 0.00 64.86 64.66 2wrf h ILE 377 Cb 0.22 -0.02 -0.10 0.00 -3.03 0.00 0.00 36.82 33.89 2wrf h ILE 377 CO 0.04 0.08 -0.20 0.74 -0.68 0.00 0.00 178.15 178.13 2wrf h THR 378 N 0.45 0.37 -0.17 -0.27 2.02 -1.12 0.10 112.91 114.28 2wrf h THR 378 Ca 0.66 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.83 2wrf h THR 378 Cb 1.48 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2wrf h THR 378 CO -0.44 0.00 0.08 0.78 0.37 0.00 0.00 175.52 176.31 2wrf h ASN 379 N -0.07 0.23 -0.91 4.18 4.21 -1.11 0.47 115.58 122.57 2wrf h ASN 379 Ca 0.25 -0.13 0.25 0.00 1.21 0.00 0.00 56.30 57.87 2wrf h ASN 379 Cb 0.46 -0.06 -0.16 0.00 -1.12 0.00 0.00 38.32 37.44 2wrf h ASN 379 CO -0.58 0.30 0.12 0.50 -1.29 0.00 0.00 177.43 176.47 2wrf h LYS 380 N 0.14 0.09 0.54 0.81 3.64 -0.89 0.16 116.57 121.05 2wrf h LYS 380 Ca 0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2wrf h LYS 380 Cb 0.13 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2wrf h LYS 380 CO -0.01 0.06 -0.26 0.28 -2.27 0.00 0.00 179.45 177.25 2wrf h VAL 381 N 0.09 0.15 -0.87 2.00 2.07 -0.87 -3.15 116.25 115.66 2wrf h VAL 381 Ca 0.56 -0.47 0.21 0.00 0.82 0.00 0.00 66.70 67.83 2wrf h VAL 381 Cb 1.16 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 31.02 2wrf h VAL 381 CO -0.78 0.03 0.33 0.78 0.02 0.00 0.00 177.57 177.94 2wrf h ASN 382 N -1.13 0.22 -0.12 0.57 2.35 0.15 0.25 115.58 117.88 2wrf h ASN 382 Ca -0.07 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2wrf h ASN 382 Cb 0.60 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2wrf h ASN 382 CO 0.12 -0.03 0.00 -1.54 -1.65 0.00 0.00 177.43 174.33 2wrf n SER 383 N -5.10 1.16 -0.94 5.81 3.41 -0.21 0.73 113.62 118.48 2wrf n SER 383 Ca 0.21 -1.63 0.07 0.00 -0.26 0.00 0.00 58.87 57.26 2wrf n SER 383 Cb 0.63 -0.07 0.24 0.00 -0.26 0.00 0.00 64.21 64.74 2wrf n SER 383 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wrf n VAL 384 N -0.01 1.64 0.00 -3.33 0.31 0.86 -3.80 118.33 114.00 2wrf n VAL 384 Ca 0.15 -1.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.12 2wrf n VAL 384 Cb 0.25 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 2wrf n VAL 384 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wrf n ILE 385 N 0.28 0.00 0.04 2.52 5.41 -0.81 -4.76 119.36 122.04 2wrf n ILE 385 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.89 2wrf n ILE 385 Cb 0.69 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.53 2wrf n ILE 385 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2wrf h GLU 386 N 0.00 0.00 -0.36 0.38 5.08 0.09 -3.38 114.58 116.40 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wrf h GLU 386 CO 0.00 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 180.23 2wrf n LYS 387 N -3.12 1.94 -2.69 2.33 5.02 -1.25 -4.76 118.16 115.64 2wrf n LYS 387 Ca -0.07 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.34 2wrf n LYS 387 Cb 0.92 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 2wrf n LYS 387 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wrf s MET 388 N -1.53 3.22 0.10 1.97 1.75 -1.26 -4.96 119.30 118.59 2wrf s MET 388 Ca 0.30 -0.63 -0.34 0.00 -1.25 0.00 0.00 55.69 53.77 2wrf s MET 388 Cb 0.16 -4.35 -0.18 0.00 2.84 0.00 0.00 34.83 33.30 2wrf s MET 388 CO 0.21 -2.01 0.83 -1.71 -0.65 0.00 0.00 175.02 171.70 2wrf n ASN 389 N 8.56 -0.50 -3.56 1.11 4.05 -1.26 -4.96 115.26 118.70 2wrf n ASN 389 Ca 0.04 1.15 -0.29 0.00 0.45 0.00 0.00 54.58 55.93 2wrf n ASN 389 Cb 0.48 -0.95 -0.15 0.00 1.23 0.00 0.00 39.78 40.39 2wrf n ASN 389 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2wrf s THR 390 N -0.45 -0.03 -0.03 -0.44 -1.32 -1.26 -4.87 115.64 107.25 2wrf s THR 390 Ca 0.78 -0.73 -0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2wrf s THR 390 Cb -1.10 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 68.93 2wrf s THR 390 CO 0.56 -0.68 0.08 0.00 -2.21 0.00 0.00 174.62 172.37 2wrf s GLN 391 N 2.08 0.10 0.22 7.08 -2.07 -1.26 -5.15 119.66 120.66 2wrf s GLN 391 Ca 0.08 0.08 -0.30 0.00 -1.82 0.00 0.00 55.36 53.41 2wrf s GLN 391 Cb -0.16 0.05 -0.08 0.00 -1.09 0.00 0.00 33.01 31.72 2wrf s GLN 391 CO -0.34 -0.01 1.00 0.12 -1.32 0.00 0.00 175.29 174.74 2wrf s PHE 392 N -0.02 3.82 0.00 9.60 5.36 -1.26 -4.99 117.98 130.50 2wrf s PHE 392 Ca -0.01 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 2wrf s PHE 392 Cb -0.01 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 2wrf s PHE 392 CO 0.00 0.07 0.00 0.39 -1.46 0.00 0.00 175.22 174.22 2wrf n GLU 393 N 1.75 0.00 -3.63 10.12 4.71 -1.26 -5.17 120.64 127.15 2wrf n GLU 393 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.02 2wrf n GLU 393 Cb 0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.83 2wrf n GLU 393 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wrf s ALA 394 N -1.00 -1.81 -0.98 0.62 0.00 -1.26 -4.87 121.76 112.46 2wrf s ALA 394 Ca 0.00 2.10 0.09 0.00 0.00 0.00 0.00 51.96 54.15 2wrf s ALA 394 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2wrf s ALA 394 CO 0.00 -0.34 0.69 0.28 0.00 0.00 0.00 175.76 176.39 2wrf n VAL 395 N 2.97 0.00 -2.93 0.00 0.31 -1.26 -5.01 118.33 112.41 2wrf n VAL 395 Ca -0.15 -0.45 -0.41 0.00 -0.01 0.00 0.00 64.34 63.32 2wrf n VAL 395 Cb 0.56 1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 34.59 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 -1.03 2.19 0.00 2.92 0.00 -1.26 -5.00 107.32 105.14 2wrf s GLY 396 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2wrf s GLY 396 CO 0.17 1.56 0.00 0.58 0.00 0.00 0.00 173.10 175.41 2wrf n LYS 397 N 4.97 0.00 -4.27 2.90 2.85 -1.26 -4.66 118.16 118.70 2wrf n LYS 397 Ca 0.03 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.06 2wrf n LYS 397 Cb 0.49 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 2wrf n LYS 397 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2wrf s GLU 398 N -0.73 2.29 0.17 -1.58 1.03 -1.26 -5.14 118.70 113.48 2wrf s GLU 398 Ca 0.00 -1.47 0.10 0.00 0.03 0.00 0.00 54.97 53.63 2wrf s GLU 398 Cb 0.00 -2.14 -0.04 0.00 -0.80 0.00 0.00 34.13 31.15 2wrf s GLU 398 CO 0.00 0.30 -0.22 -0.06 -1.33 0.00 0.00 175.26 173.95 2wrf s PHE 399 N -2.36 2.11 0.00 4.83 0.08 -1.26 -4.82 117.98 116.56 2wrf s PHE 399 Ca 0.33 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2wrf s PHE 399 Cb -0.05 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 2wrf s PHE 399 CO 0.20 0.42 0.00 -1.13 -0.10 0.00 0.00 175.22 174.61 2wrf n SER 400 N 0.37 -1.27 0.01 1.36 3.41 -1.26 -4.90 113.62 111.34 2wrf n SER 400 Ca -0.14 -0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 2wrf n SER 400 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2wrf n SER 400 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wrf n ASN 401 N -2.23 0.70 -0.50 4.04 5.15 -1.26 -3.72 115.26 117.44 2wrf n ASN 401 Ca 0.00 -0.57 0.06 0.00 -0.60 0.00 0.00 54.58 53.48 2wrf n ASN 401 Cb 0.00 1.01 0.05 0.00 -0.53 0.00 0.00 39.78 40.31 2wrf n ASN 401 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wrf n LEU 402 N -1.73 2.02 -0.42 1.20 7.99 -1.26 -4.09 117.00 120.71 2wrf n LEU 402 Ca 0.02 -0.98 0.10 0.00 -0.01 0.00 0.00 56.01 55.14 2wrf n LEU 402 Cb 0.39 0.00 0.39 0.00 -0.11 0.00 0.00 43.42 44.10 2wrf n LEU 402 CO 0.42 0.37 0.78 -0.62 -1.51 0.00 0.00 177.39 176.83 2wrf n GLU 403 N 0.65 1.55 -0.49 3.23 1.02 -1.24 -4.58 120.64 120.76 2wrf n GLU 403 Ca 0.07 -0.82 0.43 0.00 -0.02 0.00 0.00 57.16 56.82 2wrf n GLU 403 Cb 0.32 -1.35 0.72 0.00 -0.02 0.00 0.00 31.44 31.10 2wrf n GLU 403 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2wrf h LYS 404 N 1.63 0.00 0.03 3.49 1.63 -1.75 0.95 116.57 122.55 2wrf h LYS 404 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wrf h LYS 404 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2wrf h LYS 404 CO 0.00 0.00 -0.01 0.00 -3.45 0.00 0.00 179.45 175.99 2wrf h ARG 405 N 0.00 -0.04 -0.41 1.90 3.08 -1.95 -3.18 114.38 113.79 2wrf h ARG 405 Ca 0.74 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.87 2wrf h ARG 405 Cb 3.22 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 33.21 2wrf h ARG 405 CO -0.01 0.14 -0.04 1.25 -1.07 0.00 0.00 179.97 180.24 2wrf h LEU 406 N -1.00 -0.26 -0.52 3.04 5.85 -1.59 0.15 115.31 120.97 2wrf h LEU 406 Ca -0.00 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2wrf h LEU 406 Cb 0.19 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2wrf h LEU 406 CO 0.01 -0.09 -0.23 1.21 -0.34 0.00 0.00 178.44 178.99 2wrf n GLU 407 N -5.25 -0.15 0.07 1.25 0.00 0.21 -1.07 120.64 115.69 2wrf n GLU 407 Ca 0.03 0.80 0.05 0.00 0.00 0.00 0.00 57.16 58.04 2wrf n GLU 407 Cb 0.22 -1.18 -0.04 0.00 0.00 0.00 0.00 31.44 30.44 2wrf n GLU 407 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2wrf h ASN 408 N 0.00 0.00 -1.01 4.31 -0.00 -0.99 -2.97 115.58 114.92 2wrf h ASN 408 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.53 2wrf h ASN 408 Cb 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.53 2wrf h ASN 408 CO -0.51 0.32 0.65 0.25 -0.00 0.00 0.00 177.43 178.14 2wrf h LEU 409 N 0.00 1.01 -0.08 0.34 5.85 0.46 -1.66 115.31 121.23 2wrf h LEU 409 Ca -0.09 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 2wrf h LEU 409 Cb 1.32 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.17 2wrf h LEU 409 CO 0.03 0.61 -0.68 -1.13 -0.34 0.00 0.00 178.44 176.93 2wrf h ASN 410 N 1.12 0.74 0.61 1.25 -1.24 -1.10 -2.26 115.58 114.69 2wrf h ASN 410 Ca 0.45 -0.68 -0.02 0.00 0.71 0.00 0.00 56.30 56.77 2wrf h ASN 410 Cb 0.27 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 2wrf h ASN 410 CO -0.20 1.30 -0.10 0.50 -1.29 0.00 0.00 177.43 177.64 2wrf h LYS 411 N 0.23 0.00 0.03 6.67 3.11 -1.47 -2.98 116.57 122.17 2wrf h LYS 411 Ca -0.06 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.69 2wrf h LYS 411 Cb 1.34 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.58 2wrf h LYS 411 CO 0.14 0.10 -0.35 -0.22 -2.81 0.00 0.00 179.45 176.30 2wrf h LYS 412 N 0.00 0.18 0.07 1.90 1.63 -1.08 -1.65 116.57 117.62 2wrf h LYS 412 Ca -0.00 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 2wrf h LYS 412 Cb 0.43 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 2wrf h LYS 412 CO 0.01 1.03 -0.11 1.98 -3.45 0.00 0.00 179.45 178.91 2wrf h MET 413 N -0.56 -0.22 0.00 1.90 4.05 -1.35 -1.60 114.93 117.15 2wrf h MET 413 Ca -0.05 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 2wrf h MET 413 Cb 1.18 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 2wrf h MET 413 CO 0.07 -0.15 -0.45 0.93 0.23 0.00 0.00 176.91 177.54 2wrf h GLU 414 N -0.23 0.00 0.00 0.39 4.39 -1.63 0.11 114.58 117.61 2wrf h GLU 414 Ca 0.02 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2wrf h GLU 414 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2wrf h GLU 414 CO -0.06 0.20 -0.41 0.22 -1.16 0.00 0.00 179.01 177.80 2wrf h ASP 415 N 0.00 0.00 -0.00 1.42 3.58 -1.24 -2.90 116.42 117.28 2wrf h ASP 415 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2wrf h ASP 415 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2wrf h ASP 415 CO 0.03 0.41 -0.76 0.61 -2.88 0.00 0.00 179.24 176.64 2wrf n GLY 416 N -0.32 -0.56 0.09 -0.78 0.00 -0.61 -2.55 105.19 100.45 2wrf n GLY 416 Ca -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 2wrf n GLY 416 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wrf h PHE 417 N 0.60 -0.17 -1.25 1.61 0.04 -0.87 -3.21 116.94 113.70 2wrf h PHE 417 Ca 0.00 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.13 2wrf h PHE 417 Cb 0.51 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.66 2wrf h PHE 417 CO 0.00 -0.10 0.98 -0.11 -0.60 0.00 0.00 178.31 178.48 2wrf n LEU 418 N -3.26 0.00 -0.02 1.54 0.00 -1.09 0.37 117.00 114.54 2wrf n LEU 418 Ca -0.02 0.67 -0.02 0.00 0.00 0.00 0.00 56.01 56.64 2wrf n LEU 418 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 43.42 43.17 2wrf n LEU 418 CO 0.05 -0.67 0.05 0.44 0.00 0.00 0.00 177.39 177.26 2wrf h ASP 419 N 0.00 -0.06 -0.30 1.96 3.32 -1.60 -2.85 116.42 116.89 2wrf h ASP 419 Ca 0.59 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.63 2wrf h ASP 419 Cb 2.56 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 42.08 2wrf h ASP 419 CO -0.01 0.45 -0.18 0.52 -1.72 0.00 0.00 179.24 178.31 2wrf n VAL 420 N -4.82 -0.21 -0.37 -1.35 0.31 0.16 -0.57 118.33 111.49 2wrf n VAL 420 Ca -0.01 1.10 0.02 0.00 -0.01 0.00 0.00 64.34 65.44 2wrf n VAL 420 Cb 0.05 -1.39 0.16 0.00 -0.91 0.00 0.00 33.84 31.75 2wrf n VAL 420 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2wrf h TRP 421 N 0.00 1.19 -0.88 3.52 4.06 -1.43 0.39 115.95 122.80 2wrf h TRP 421 Ca 0.05 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.10 2wrf h TRP 421 Cb 0.12 -0.39 -0.07 0.00 -1.00 0.00 0.00 29.16 27.83 2wrf h TRP 421 CO -0.54 0.63 0.55 1.15 -3.56 0.00 0.00 178.44 176.66 2wrf h THR 422 N 1.18 1.02 0.75 1.49 2.02 -0.58 -1.37 112.91 117.42 2wrf h THR 422 Ca 0.42 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2wrf h THR 422 Cb 0.14 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2wrf h THR 422 CO -0.16 0.18 -0.49 0.22 0.37 0.00 0.00 175.52 175.63 2wrf h TYR 423 N 0.97 -1.31 -0.83 3.16 3.20 0.59 -3.22 116.97 119.52 2wrf h TYR 423 Ca 0.40 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.45 2wrf h TYR 423 Cb 0.23 0.47 -0.12 0.00 1.54 0.00 0.00 36.73 38.85 2wrf h TYR 423 CO -0.03 -0.72 0.28 -0.91 -1.64 0.00 0.00 178.16 175.14 2wrf h ASN 424 N -1.17 0.15 0.00 -2.11 2.35 -0.69 -1.27 115.58 112.84 2wrf h ASN 424 Ca -0.10 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2wrf h ASN 424 Cb 0.95 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2wrf h ASN 424 CO 0.08 -0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 2wrf n ALA 425 N -2.60 0.00 0.00 -0.83 0.00 -0.55 -2.04 120.51 114.49 2wrf n ALA 425 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wrf n ALA 425 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2wrf n ALA 425 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wrf n GLU 426 N 0.00 0.00 0.23 0.00 2.13 -1.22 0.16 120.64 121.94 2wrf n GLU 426 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2wrf n GLU 426 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2wrf n GLU 426 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2wrf h LEU 427 N 0.00 -0.52 -0.73 4.31 7.12 -1.35 0.20 115.31 124.34 2wrf h LEU 427 Ca 0.00 0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.13 2wrf h LEU 427 Cb 0.00 0.14 -0.11 0.00 -0.53 0.00 0.00 40.66 40.15 2wrf h LEU 427 CO 0.00 -0.29 -0.31 -0.11 -0.13 0.00 0.00 178.44 177.59 2wrf n LEU 428 N -4.11 -0.53 -0.16 2.25 7.94 0.42 -0.56 117.00 122.25 2wrf n LEU 428 Ca -0.08 1.28 -0.06 0.00 -1.11 0.00 0.00 56.01 56.04 2wrf n LEU 428 Cb 0.24 -0.27 0.10 0.00 0.53 0.00 0.00 43.42 44.02 2wrf n LEU 428 CO 0.18 -1.13 0.86 0.58 -1.11 0.00 0.00 177.39 176.77 2wrf h VAL 429 N 0.00 1.25 0.22 1.96 2.07 -1.46 -3.27 116.25 117.02 2wrf h VAL 429 Ca 0.23 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2wrf h VAL 429 Cb 0.41 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wrf h VAL 429 CO -0.72 0.38 -0.10 -0.07 0.02 0.00 0.00 177.57 177.08 2wrf h LEU 430 N 0.86 -0.25 -9.83 2.57 -0.00 0.20 -3.37 115.31 105.48 2wrf h LEU 430 Ca 0.16 0.01 -0.40 0.00 -0.00 0.00 0.00 57.88 57.65 2wrf h LEU 430 Cb 0.49 0.06 0.21 0.00 -0.00 0.00 0.00 40.66 41.43 2wrf h LEU 430 CO 0.02 -0.14 -0.40 0.23 -0.00 0.00 0.00 178.44 178.15 2wrf n MET 431 N -2.96 -2.79 -3.47 1.13 2.81 -0.04 -2.15 117.12 109.66 2wrf n MET 431 Ca -0.04 -0.80 -0.20 0.00 -1.81 0.00 0.00 57.70 54.85 2wrf n MET 431 Cb 0.11 -1.90 0.03 0.00 -0.71 0.00 0.00 33.22 30.75 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 -4.00 -1.44 0.00 0.03 -0.58 -1.23 -4.37 120.64 109.05 2wrf n GLU 432 Ca 0.04 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 2wrf n GLU 432 Cb 0.56 -4.50 0.00 0.00 -0.57 0.00 0.00 31.44 26.92 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 -2.50 0.00 -0.35 1.62 4.13 -1.24 -4.67 115.26 112.25 2wrf n ASN 433 Ca -0.10 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.18 2wrf n ASN 433 Cb 0.59 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 39.00 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 0.00 1.04 0.00 3.52 4.57 -1.63 -2.63 114.58 119.45 2wrf h GLU 434 Ca 0.00 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.86 2wrf h GLU 434 Cb 0.00 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.31 2wrf h GLU 434 CO 0.00 0.69 -1.43 0.52 -1.18 0.00 0.00 179.01 177.60 2wrf h MET 435 N 1.07 0.01 0.00 1.92 0.00 -1.86 -3.22 114.93 112.85 2wrf h MET 435 Ca 0.42 -0.02 -0.08 0.00 0.00 0.00 0.00 59.70 60.02 2wrf h MET 435 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 31.60 31.82 2wrf h MET 435 CO -0.19 0.71 -0.39 1.15 0.00 0.00 0.00 176.91 178.19 2wrf h THR 436 N 0.00 0.79 0.00 2.22 2.02 -1.84 0.02 112.91 116.12 2wrf h THR 436 Ca -0.18 -1.73 -0.10 0.00 0.77 0.00 0.00 66.41 65.17 2wrf h THR 436 Cb 1.92 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 70.43 2wrf h THR 436 CO 0.10 0.38 -0.54 -0.07 0.37 0.00 0.00 175.52 175.77 2wrf h LEU 437 N 0.00 0.00 0.05 2.58 4.07 -1.53 -3.19 115.31 117.29 2wrf h LEU 437 Ca -0.00 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.67 2wrf h LEU 437 Cb 1.08 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 2wrf h LEU 437 CO 0.05 0.44 -1.48 0.44 -1.08 0.00 0.00 178.44 176.81 2wrf h ASP 438 N 0.00 0.18 -1.01 -0.43 3.32 -1.49 -2.91 116.42 114.08 2wrf h ASP 438 Ca -0.02 -0.27 0.20 0.00 0.02 0.00 0.00 57.03 56.96 2wrf h ASP 438 Cb 1.35 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 2wrf h ASP 438 CO 0.05 1.23 0.61 0.15 -1.72 0.00 0.00 179.24 179.56 2wrf h PHE 439 N 0.03 1.07 -0.12 4.55 3.57 -1.05 1.11 116.94 126.10 2wrf h PHE 439 Ca -0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 2wrf h PHE 439 Cb 1.96 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.38 2wrf h PHE 439 CO 0.03 0.22 -0.24 0.45 -2.23 0.00 0.00 178.31 176.54 2wrf h HIS 440 N 0.75 0.47 -0.41 0.41 3.86 -1.56 -1.65 115.15 117.02 2wrf h HIS 440 Ca 0.59 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.66 2wrf h HIS 440 Cb 0.94 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 2wrf h HIS 440 CO -0.00 0.85 0.27 0.22 0.86 0.00 0.00 177.93 180.13 2wrf h ASP 441 N -0.05 0.35 0.66 2.45 3.58 -1.02 -1.14 116.42 121.25 2wrf h ASP 441 Ca 0.00 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 2wrf h ASP 441 Cb 0.83 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 2wrf h ASP 441 CO 0.05 0.24 -0.84 -1.28 -2.88 0.00 0.00 179.24 174.54 2wrf h SER 442 N 0.41 0.16 0.27 2.28 0.87 0.13 -2.69 113.55 114.98 2wrf h SER 442 Ca 0.17 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 2wrf h SER 442 Cb 0.16 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2wrf h SER 442 CO -0.04 0.92 -1.01 0.78 -0.53 0.00 0.00 176.83 176.96 2wrf h ASN 443 N 0.07 0.63 -0.19 6.23 2.35 -0.26 -0.29 115.58 124.13 2wrf h ASN 443 Ca -0.03 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 55.14 2wrf h ASN 443 Cb 1.46 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 2wrf h ASN 443 CO 0.12 1.33 -0.11 0.58 -1.65 0.00 0.00 177.43 177.70 2wrf h VAL 444 N 0.26 1.32 -0.06 2.81 2.07 -1.34 -1.30 116.25 119.99 2wrf h VAL 444 Ca -0.10 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.27 2wrf h VAL 444 Cb 1.65 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 2wrf h VAL 444 CO 0.18 0.36 -0.21 0.50 0.02 0.00 0.00 177.57 178.42 2wrf h LYS 445 N 0.08 -0.28 -1.03 1.57 1.63 -1.51 0.11 116.57 117.14 2wrf h LYS 445 Ca 0.04 0.02 0.27 0.00 -0.85 0.00 0.00 60.65 60.12 2wrf h LYS 445 Cb 0.60 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 32.18 2wrf h LYS 445 CO 0.03 -0.19 0.63 -0.91 -3.45 0.00 0.00 179.45 175.56 2wrf h ASN 446 N -0.29 0.58 0.01 4.20 4.21 -0.94 -0.27 115.58 123.08 2wrf h ASN 446 Ca 0.08 0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 2wrf h ASN 446 Cb 0.41 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2wrf h ASN 446 CO -0.23 0.07 -0.01 0.25 -1.29 0.00 0.00 177.43 176.22 2wrf h LEU 447 N 0.49 -0.01 -0.47 1.61 5.85 -0.34 -0.85 115.31 121.57 2wrf h LEU 447 Ca 0.65 -0.76 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2wrf h LEU 447 Cb 1.40 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.38 2wrf h LEU 447 CO -0.43 0.83 -0.28 0.00 -0.34 0.00 0.00 178.44 178.23 2wrf n TYR 448 N -4.68 -0.21 -0.18 1.25 9.36 0.29 -1.12 117.16 121.87 2wrf n TYR 448 Ca -0.08 0.59 -0.01 0.00 3.32 0.00 0.00 57.90 61.72 2wrf n TYR 448 Cb 0.37 -0.53 0.09 0.00 -0.63 0.00 0.00 39.34 38.65 2wrf n TYR 448 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2wrf h ASP 449 N 0.00 0.05 -0.98 2.98 3.32 -1.12 0.25 116.42 120.92 2wrf h ASP 449 Ca 0.08 0.10 0.31 0.00 0.02 0.00 0.00 57.03 57.53 2wrf h ASP 449 Cb 0.19 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.71 2wrf h ASP 449 CO -0.44 0.04 0.49 0.50 -1.72 0.00 0.00 179.24 178.11 2wrf h LYS 450 N 0.28 0.28 0.15 3.56 3.64 0.30 -1.01 116.57 123.76 2wrf h LYS 450 Ca 0.29 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2wrf h LYS 450 Cb 0.40 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wrf h LYS 450 CO -0.35 0.19 -0.07 0.28 -2.27 0.00 0.00 179.45 177.22 2wrf h VAL 451 N 0.29 0.89 -0.18 2.00 2.07 0.98 -3.34 116.25 118.96 2wrf h VAL 451 Ca 0.70 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2wrf h VAL 451 Cb 1.57 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 2wrf h VAL 451 CO -0.63 0.23 -0.25 -0.09 0.02 0.00 0.00 177.57 176.86 2wrf h ARG 452 N -0.85 -0.17 -0.43 1.57 2.43 0.27 -1.63 114.38 115.56 2wrf h ARG 452 Ca -0.02 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2wrf h ARG 452 Cb 0.53 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2wrf h ARG 452 CO 0.03 -0.11 0.37 0.52 -1.51 0.00 0.00 179.97 179.27 2wrf h MET 453 N -0.18 0.00 0.53 0.20 2.86 -1.45 -1.73 114.93 115.16 2wrf h MET 453 Ca 0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2wrf h MET 453 Cb 0.26 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.93 2wrf h MET 453 CO -0.27 0.00 -0.25 1.96 1.06 0.00 0.00 176.91 179.41 2wrf h GLN 454 N 0.00 -0.68 0.00 1.72 4.20 -1.43 -3.37 115.11 115.55 2wrf h GLN 454 Ca 0.20 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2wrf h GLN 454 Cb 0.95 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2wrf h GLN 454 CO -0.00 -0.45 0.00 1.28 -0.67 0.00 0.00 178.83 178.98 2wrf n LEU 455 N -4.85 0.00 0.00 1.46 4.32 -0.97 -4.80 117.00 112.16 2wrf n LEU 455 Ca -0.09 0.80 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 2wrf n LEU 455 Cb 0.28 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2wrf n LEU 455 CO 0.21 -0.30 0.00 0.54 -1.22 0.00 0.00 177.39 176.62 2wrf n ARG 456 N -1.94 0.00 0.29 3.23 5.12 -0.69 -3.66 116.66 119.01 2wrf n ARG 456 Ca 0.00 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.10 2wrf n ARG 456 Cb 0.00 0.00 0.94 0.00 -1.16 0.00 0.00 32.46 32.24 2wrf n ARG 456 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2wrf h ASP 457 N 6.17 0.00 0.00 0.55 -0.00 -1.94 -2.46 116.42 118.75 2wrf h ASP 457 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2wrf h ASP 457 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2wrf h ASP 457 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 179.24 179.83 2wrf n ASN 458 N -2.79 0.00 -3.61 4.15 4.13 -1.24 -4.69 115.26 111.20 2wrf n ASN 458 Ca -0.02 0.01 -0.08 0.00 1.68 0.00 0.00 54.58 56.17 2wrf n ASN 458 Cb 0.15 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.33 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 -1.61 0.00 -0.17 2.41 -7.23 -0.93 -2.03 120.40 110.84 2wrf s VAL 459 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2wrf s VAL 459 Cb 0.00 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2wrf s VAL 459 CO 0.00 0.00 0.20 -1.59 -0.31 0.00 0.00 175.10 173.40 2wrf s LYS 460 N -0.60 4.14 -0.97 4.82 -2.85 0.30 -4.82 119.74 119.75 2wrf s LYS 460 Ca 0.03 -0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 54.78 2wrf s LYS 460 Cb -0.02 -3.39 0.19 0.00 -2.06 0.00 0.00 37.83 32.54 2wrf s LYS 460 CO -0.04 0.33 1.06 -2.00 0.10 0.00 0.00 175.35 174.80 2wrf s GLU 461 N 0.23 3.78 0.49 1.78 2.12 -1.26 -0.61 118.70 125.22 2wrf s GLU 461 Ca 0.12 -2.37 0.38 0.00 0.36 0.00 0.00 54.97 53.46 2wrf s GLU 461 Cb -0.12 -4.72 1.55 0.00 0.26 0.00 0.00 34.13 31.09 2wrf s GLU 461 CO 0.01 -1.53 1.62 -0.07 -0.54 0.00 0.00 175.26 174.75 2wrf h LEU 462 N 8.82 0.14 0.00 2.70 4.07 -1.81 -3.45 115.31 125.78 2wrf h LEU 462 Ca 0.17 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2wrf h LEU 462 Cb 0.98 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2wrf h LEU 462 CO 1.00 -0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.85 2wrf n GLY 463 N -1.67 0.60 1.64 0.83 0.00 -1.26 -4.93 105.19 100.40 2wrf n GLY 463 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 3.73 -0.13 1.61 6.94 -1.26 -4.86 115.26 121.29 2wrf n ASN 464 Ca 0.00 -3.76 -0.02 0.00 -0.02 0.00 0.00 54.58 50.79 2wrf n ASN 464 Cb 0.00 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 36.73 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 -1.05 0.45 3.20 4.83 0.00 -1.26 -4.75 105.19 106.61 2wrf n GLY 465 Ca 0.44 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 1.35 3.18 0.15 0.00 0.08 -1.26 -2.12 117.98 119.36 2wrf s PHE 467 Ca 0.04 0.42 -0.16 0.00 0.12 0.00 0.00 56.93 57.35 2wrf s PHE 467 Cb -0.14 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 2wrf s PHE 467 CO -0.08 -0.56 0.58 -2.00 -0.10 0.00 0.00 175.22 173.06 2wrf s GLU 468 N 2.64 4.05 -0.15 0.44 2.12 0.22 -4.48 118.70 123.54 2wrf s GLU 468 Ca 0.24 0.58 -0.16 0.00 0.36 0.00 0.00 54.97 55.99 2wrf s GLU 468 Cb -0.15 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2wrf s GLU 468 CO 0.14 0.49 0.40 -0.06 -0.54 0.00 0.00 175.26 175.68 2wrf s PHE 469 N -1.43 3.47 -0.49 5.30 0.08 -1.26 -0.54 117.98 123.12 2wrf s PHE 469 Ca 0.37 0.74 -0.04 0.00 0.12 0.00 0.00 56.93 58.12 2wrf s PHE 469 Cb -0.16 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2wrf s PHE 469 CO 0.19 0.17 2.87 0.66 -0.10 0.00 0.00 175.22 179.01 2wrf n TYR 470 N 3.75 1.46 -2.04 0.36 4.01 -0.86 -4.83 117.16 119.01 2wrf n TYR 470 Ca -0.09 -1.97 0.00 0.00 -0.16 0.00 0.00 57.90 55.68 2wrf n TYR 470 Cb 0.52 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.07 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 1.24 0.00 -3.67 -0.72 1.44 -1.26 -4.67 115.22 107.58 2wrf n HIS 471 Ca 0.50 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.88 2wrf n HIS 471 Cb 0.57 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.15 3.64 -0.45 -1.40 -0.14 -1.26 -5.07 119.74 113.91 2wrf s LYS 472 Ca 0.00 -0.04 0.05 0.00 -1.36 0.00 0.00 55.97 54.62 2wrf s LYS 472 Cb 0.00 -2.92 0.18 0.00 -1.68 0.00 0.00 37.83 33.41 2wrf s LYS 472 CO 0.00 0.52 0.48 0.00 -0.76 0.00 0.00 175.35 175.59 2wrf n ASP 474 N 2.93 -2.64 -0.18 0.00 3.85 -1.26 -4.20 116.55 115.05 2wrf n ASP 474 Ca 0.25 -0.28 -0.02 0.00 -0.71 0.00 0.00 54.79 54.03 2wrf n ASP 474 Cb 0.51 -0.95 0.08 0.00 -1.35 0.00 0.00 41.12 39.40 2wrf n ASP 474 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2wrf h ASP 475 N -2.47 0.17 -0.10 -1.12 5.19 -1.99 0.65 116.42 116.75 2wrf h ASP 475 Ca -0.48 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.03 2wrf h ASP 475 Cb 1.23 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 2wrf h ASP 475 CO 0.34 0.12 0.32 -0.08 -3.12 0.00 0.00 179.24 176.82 2wrf h GLU 476 N 0.36 0.00 0.00 3.56 4.57 -1.99 -0.17 114.58 120.91 2wrf h GLU 476 Ca 0.27 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 2wrf h GLU 476 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2wrf h GLU 476 CO -0.28 0.00 -0.60 0.00 -1.18 0.00 0.00 179.01 176.95 2wrf h MET 478 N -1.00 -0.08 -0.80 0.00 2.86 -0.62 -0.54 114.93 114.75 2wrf h MET 478 Ca -0.15 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.73 2wrf h MET 478 Cb 0.99 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 2wrf h MET 478 CO -0.09 -0.05 0.63 -0.91 1.06 0.00 0.00 176.91 177.54 2wrf h ASN 479 N -0.08 0.00 0.80 1.22 2.35 -1.17 0.24 115.58 118.94 2wrf h ASN 479 Ca 0.20 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 2wrf h ASN 479 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2wrf h ASN 479 CO -0.47 0.00 -0.83 0.77 -1.65 0.00 0.00 177.43 175.25 2wrf h SER 480 N 0.00 0.02 0.35 5.81 4.64 -1.05 0.27 113.55 123.59 2wrf h SER 480 Ca 0.38 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 2wrf h SER 480 Cb 1.63 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2wrf h SER 480 CO -0.00 0.83 -0.17 0.58 -0.87 0.00 0.00 176.83 177.20 2wrf h VAL 481 N 0.01 0.63 0.08 0.95 2.07 -0.24 0.18 116.25 119.92 2wrf h VAL 481 Ca -0.01 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2wrf h VAL 481 Cb 1.46 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2wrf h VAL 481 CO 0.11 0.09 -0.11 0.11 0.02 0.00 0.00 177.57 177.79 2wrf h LYS 482 N -0.77 -0.19 -0.20 1.57 1.57 -1.44 -2.76 116.57 114.36 2wrf h LYS 482 Ca -0.05 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2wrf h LYS 482 Cb 0.51 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2wrf h LYS 482 CO 0.08 -0.13 -0.02 -1.71 -0.57 0.00 0.00 179.45 177.10 2wrf n ASN 483 N -3.01 -0.05 0.00 0.86 5.15 0.94 -4.71 115.26 114.44 2wrf n ASN 483 Ca -0.02 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2wrf n ASN 483 Cb 0.10 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2wrf n ASN 483 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wrf n GLY 484 N -1.11 0.97 2.91 8.20 0.00 -0.49 -5.06 105.19 110.61 2wrf n GLY 484 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 1.63 -0.22 2.61 -4.23 0.51 -5.00 115.64 108.93 2wrf s THR 485 Ca 0.00 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 2wrf s THR 485 Cb 0.00 -2.10 -0.18 0.00 1.34 0.00 0.00 72.50 71.55 2wrf s THR 485 CO 0.00 -0.46 -0.04 0.00 -0.54 0.00 0.00 174.62 173.58 2wrf n TYR 486 N 4.56 0.48 -1.77 3.99 4.19 -1.25 -4.27 117.16 123.09 2wrf n TYR 486 Ca -0.03 0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.32 2wrf n TYR 486 Cb 0.43 -1.06 0.00 0.00 0.49 0.00 0.00 39.34 39.20 2wrf n TYR 486 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 2wrf n ASP 487 N -3.75 -1.50 -0.40 2.98 4.64 -1.26 -4.92 116.55 112.33 2wrf n ASP 487 Ca -0.43 0.00 0.35 0.00 -1.38 0.00 0.00 54.79 53.33 2wrf n ASP 487 Cb 0.93 -0.37 0.62 0.00 -1.04 0.00 0.00 41.12 41.26 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 0.00 0.65 0.00 -0.67 3.20 -1.94 -2.96 116.97 115.25 2wrf h TYR 488 Ca 0.00 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.33 2wrf h TYR 488 Cb 0.75 -0.16 0.11 0.00 1.54 0.00 0.00 36.73 38.98 2wrf h TYR 488 CO 0.00 -0.30 1.62 -1.13 -1.64 0.00 0.00 178.16 176.71 2wrf n SER 489 N -4.91 1.43 0.00 -2.11 3.41 -1.26 -2.93 113.62 107.25 2wrf n SER 489 Ca 0.38 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 2wrf n SER 489 Cb 1.38 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 7.46 0.00 0.00 4.33 4.81 -1.12 -4.93 118.16 128.72 2wrf n LYS 490 Ca 0.45 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.94 2wrf n LYS 490 Cb 0.38 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.72 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 0.00 0.00 0.21 5.64 4.01 -1.15 0.16 117.16 126.02 2wrf n TYR 491 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2wrf n TYR 491 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.00 -5.54 -0.72 4.81 -1.86 -3.34 114.58 107.94 2wrf h GLU 492 Ca 0.00 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 2wrf h GLU 492 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2wrf h GLU 492 CO 0.00 0.10 1.27 -1.21 -0.73 0.00 0.00 179.01 178.44 2wrf s GLU 493 N -3.18 2.76 0.00 1.92 2.02 0.41 -4.51 118.70 118.12 2wrf s GLU 493 Ca 0.06 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.74 2wrf s GLU 493 Cb 0.06 -5.30 0.00 0.00 0.10 0.00 0.00 34.13 28.99 2wrf s GLU 493 CO 0.68 -3.68 0.00 0.39 0.02 0.00 0.00 175.26 172.67 2wrf n GLU 494 N 8.31 0.00 -4.60 1.61 1.02 -1.25 -5.03 120.64 120.69 2wrf n GLU 494 Ca 0.45 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.37 2wrf n GLU 494 Cb 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.73 2wrf n GLU 494 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wrf s SER 495 N 0.00 1.64 0.00 1.62 0.01 -1.26 -4.92 113.70 110.79 2wrf s SER 495 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2wrf s SER 495 Cb 0.00 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2wrf s SER 495 CO 0.00 0.11 0.00 0.29 0.41 0.00 0.00 173.24 174.05