#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmw n ASP 2 N 0.00 0.00 -2.94 -2.24 8.00 -1.26 -4.94 116.55 113.18 1xmw n ASP 2 Ca 0.00 0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.34 1xmw n ASP 2 Cb 0.00 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1xmw n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xmw n ALA 3 N -1.40 -0.94 -3.36 2.24 0.00 -1.26 -4.89 120.51 110.90 1xmw n ALA 3 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.30 1xmw n ALA 3 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.00 1xmw n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xmw n GLU 4 N -3.37 0.20 -0.14 0.00 1.02 -1.26 -4.56 120.64 112.52 1xmw n GLU 4 Ca -0.08 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 1xmw n GLU 4 Cb 0.58 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1xmw n GLU 4 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xmw n ASN 5 N 2.84 0.08 -1.70 1.62 6.94 -1.26 -4.81 115.26 118.98 1xmw n ASN 5 Ca 0.29 -1.34 0.03 0.00 -0.02 0.00 0.00 54.58 53.54 1xmw n ASN 5 Cb 0.48 -0.06 0.31 0.00 -2.36 0.00 0.00 39.78 38.16 1xmw n ASN 5 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1xmw n ILE 6 N -0.03 2.35 0.00 1.53 -5.35 -1.26 -5.04 119.36 111.56 1xmw n ILE 6 Ca 0.00 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1xmw n ILE 6 Cb 0.55 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1xmw n ILE 6 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1xmw n GLU 7 N 0.36 0.00 -3.85 6.28 0.00 -1.26 -4.51 120.64 117.66 1xmw n GLU 7 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 57.06 1xmw n GLU 7 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 32.46 1xmw n GLU 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1xmw s TYR 8 N 0.00 3.47 0.23 -1.84 1.51 -1.26 -3.24 117.35 116.22 1xmw s TYR 8 Ca 0.00 0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 1xmw s TYR 8 Cb 0.00 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1xmw s TYR 8 CO 0.00 0.48 0.37 0.15 -1.11 0.00 0.00 175.55 175.44 1xmw s LYS 9 N -0.28 3.46 -0.02 -0.62 -0.14 -1.08 -4.90 119.74 116.16 1xmw s LYS 9 Ca 0.11 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1xmw s LYS 9 Cb -0.12 -2.87 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 1xmw s LYS 9 CO 0.01 0.41 -0.00 0.08 -0.76 0.00 0.00 175.35 175.08 1xmw s VAL 10 N -1.96 0.15 -0.37 3.17 1.01 -1.26 -2.02 120.40 119.13 1xmw s VAL 10 Ca 0.35 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1xmw s VAL 10 Cb -0.10 -0.22 0.15 0.00 0.00 0.00 0.00 36.38 36.21 1xmw s VAL 10 CO 0.30 0.11 0.32 -0.55 0.00 0.00 0.00 175.10 175.29 1xmw s SER 11 N 0.75 1.72 -0.03 3.32 0.15 -0.59 -5.00 113.70 114.02 1xmw s SER 11 Ca -0.07 -1.78 -0.15 0.00 0.70 0.00 0.00 55.95 54.65 1xmw s SER 11 Cb -0.10 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1xmw s SER 11 CO -0.01 -0.27 0.40 -0.63 1.20 0.00 0.00 173.24 173.93 1xmw s ILE 12 N 1.31 5.08 -0.35 6.45 1.01 -1.26 -2.37 121.20 131.07 1xmw s ILE 12 Ca 0.17 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.67 1xmw s ILE 12 Cb -0.18 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.68 1xmw s ILE 12 CO -0.02 0.53 0.09 -0.55 0.00 0.00 0.00 174.94 175.00 1xmw s SER 13 N -0.75 4.45 1.24 3.58 0.15 -0.79 -4.93 113.70 116.65 1xmw s SER 13 Ca 0.23 -2.09 0.00 0.00 0.70 0.00 0.00 55.95 54.79 1xmw s SER 13 Cb -0.16 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1xmw s SER 13 CO 0.12 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1xmw n GLY 14 N 4.31 2.11 1.64 9.45 0.00 -1.26 -2.50 105.19 118.95 1xmw n GLY 14 Ca 0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 1xmw n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xmw n THR 15 N 0.00 2.83 -4.32 2.61 -1.04 -1.26 -4.83 114.28 108.27 1xmw n THR 15 Ca 0.00 -2.80 -0.28 0.00 -2.04 0.00 0.00 64.05 58.93 1xmw n THR 15 Cb 0.00 -0.56 -0.11 0.00 -1.82 0.00 0.00 70.33 67.84 1xmw n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xmw s SER 16 N -2.33 3.94 -0.17 8.00 0.15 -1.04 0.32 113.70 122.57 1xmw s SER 16 Ca 0.51 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 1xmw s SER 16 Cb 0.44 -0.56 0.06 0.00 -1.71 0.00 0.00 66.02 64.25 1xmw s SER 16 CO 0.02 0.14 0.11 -0.69 1.20 0.00 0.00 173.24 174.03 1xmw s VAL 17 N -1.45 -0.14 -0.32 4.45 1.01 -0.86 -1.89 120.40 121.20 1xmw s VAL 17 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1xmw s VAL 17 Cb -0.09 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1xmw s VAL 17 CO 0.12 -0.24 0.09 -0.70 0.00 0.00 0.00 175.10 174.36 1xmw s GLU 18 N 2.18 2.72 -0.12 2.72 -6.30 -1.00 0.18 118.70 119.08 1xmw s GLU 18 Ca 0.03 -1.11 -0.03 0.00 -2.50 0.00 0.00 54.97 51.36 1xmw s GLU 18 Cb -0.16 -3.40 -0.03 0.00 0.00 0.00 0.00 34.13 30.54 1xmw s GLU 18 CO -0.09 -0.60 0.01 -0.51 0.02 0.00 0.00 175.26 174.09 1xmw s LEU 19 N 1.41 3.61 -0.32 2.70 1.43 -0.74 -1.55 118.68 125.23 1xmw s LEU 19 Ca -0.01 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1xmw s LEU 19 Cb -0.19 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1xmw s LEU 19 CO 0.02 0.31 0.55 -0.89 0.23 0.00 0.00 176.35 176.57 1xmw s THR 20 N -0.48 5.00 0.38 5.49 2.01 -0.85 0.81 115.64 128.00 1xmw s THR 20 Ca 0.09 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.43 1xmw s THR 20 Cb -0.12 -3.95 -0.12 0.00 0.01 0.00 0.00 72.50 68.32 1xmw s THR 20 CO 0.02 -0.14 0.83 0.00 -0.69 0.00 0.00 174.62 174.64 1xmw n PRO 22 N 0.45 0.43 -3.30 0.00 -0.04 -1.20 -4.73 135.00 126.61 1xmw n PRO 22 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1xmw n PRO 22 Cb 0.37 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1xmw n PRO 22 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1xmw n LEU 23 N 1.66 0.00 -4.77 1.53 -0.00 -1.26 -4.26 117.00 109.90 1xmw n LEU 23 Ca 0.00 -1.44 -0.31 0.00 -0.00 0.00 0.00 56.01 54.26 1xmw n LEU 23 Cb 0.21 2.48 0.09 0.00 -0.00 0.00 0.00 43.42 46.21 1xmw n LEU 23 CO 0.00 -0.48 0.70 -1.81 -0.00 0.00 0.00 177.39 175.80 1xmw s ASP 24 N -2.83 4.50 0.22 1.45 1.11 -1.26 -4.94 116.67 114.93 1xmw s ASP 24 Ca 0.16 1.80 -0.31 0.00 0.18 0.00 0.00 52.55 54.38 1xmw s ASP 24 Cb -0.03 -2.50 -0.11 0.00 1.07 0.00 0.00 42.92 41.35 1xmw s ASP 24 CO 0.06 -2.03 1.58 -0.94 1.18 0.00 0.00 175.17 175.01 1xmw s SER 25 N -3.42 6.51 -0.17 0.27 1.04 -1.26 -4.87 113.70 111.80 1xmw s SER 25 Ca 0.61 2.76 -0.01 0.00 0.48 0.00 0.00 55.95 59.79 1xmw s SER 25 Cb -0.17 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.34 1xmw s SER 25 CO 0.56 -0.85 -0.12 -0.62 0.98 0.00 0.00 173.24 173.19 1xmw s ASP 26 N 0.82 3.83 0.60 7.02 -1.08 -1.26 -4.96 116.67 121.64 1xmw s ASP 26 Ca 0.67 -0.44 0.28 0.00 -0.52 0.00 0.00 52.55 52.54 1xmw s ASP 26 Cb -0.45 -1.61 1.29 0.00 -1.46 0.00 0.00 42.92 40.68 1xmw s ASP 26 CO 0.38 0.06 1.68 -0.08 0.52 0.00 0.00 175.17 177.73 1xmw h GLU 27 N 7.49 0.00 0.00 4.34 4.81 -1.94 1.26 114.58 130.53 1xmw h GLU 27 Ca -0.35 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1xmw h GLU 27 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1xmw h GLU 27 CO 0.59 0.00 -0.40 0.09 -0.73 0.00 0.00 179.01 178.56 1xmw n ASN 28 N -3.51 1.82 -4.57 1.04 5.03 -1.26 -4.88 115.26 108.94 1xmw n ASN 28 Ca 0.14 -3.64 -0.38 0.00 0.87 0.00 0.00 54.58 51.56 1xmw n ASN 28 Cb 0.98 -0.50 -0.03 0.00 -1.02 0.00 0.00 39.78 39.22 1xmw n ASN 28 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xmw n LEU 29 N -1.14 2.64 -4.66 3.41 7.94 0.43 -4.65 117.00 120.98 1xmw n LEU 29 Ca 0.18 -0.27 -0.39 0.00 -1.11 0.00 0.00 56.01 54.41 1xmw n LEU 29 Cb 0.69 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1xmw n LEU 29 CO -0.03 -1.28 0.27 -0.54 -1.11 0.00 0.00 177.39 174.70 1xmw s LYS 30 N 7.64 4.19 0.54 1.96 1.02 0.68 -4.34 119.74 131.42 1xmw s LYS 30 Ca 0.99 0.45 -0.02 0.00 0.02 0.00 0.00 55.97 57.41 1xmw s LYS 30 Cb -0.23 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1xmw s LYS 30 CO 0.29 -0.18 0.80 -1.58 -0.92 0.00 0.00 175.35 173.75 1xmw s TRP 31 N 1.74 3.15 0.10 3.18 0.52 -1.26 -0.36 118.94 126.02 1xmw s TRP 31 Ca 0.25 0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.75 1xmw s TRP 31 Cb -0.16 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1xmw s TRP 31 CO 0.10 -0.68 -0.07 -1.21 0.02 0.00 0.00 176.95 175.10 1xmw s GLU 32 N -4.80 0.84 -0.22 4.98 2.02 0.56 -2.42 118.70 119.67 1xmw s GLU 32 Ca 0.53 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 1xmw s GLU 32 Cb -0.10 -0.24 0.06 0.00 0.10 0.00 0.00 34.13 33.95 1xmw s GLU 32 CO 0.41 -0.01 -0.01 0.21 0.02 0.00 0.00 175.26 175.88 1xmw s LYS 33 N -3.77 1.21 -1.28 1.61 2.36 0.67 -3.01 119.74 117.53 1xmw s LYS 33 Ca 0.12 -0.76 0.00 0.00 -2.55 0.00 0.00 55.97 52.78 1xmw s LYS 33 Cb 0.05 -2.39 0.00 0.00 -1.05 0.00 0.00 37.83 34.44 1xmw s LYS 33 CO -0.04 -0.62 0.00 -1.71 1.55 0.00 0.00 175.35 174.53 1xmw n ASN 34 N 4.83 -4.01 0.00 1.43 5.15 0.15 -0.87 115.26 121.94 1xmw n ASN 34 Ca -0.11 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1xmw n ASN 34 Cb 0.45 -3.51 0.00 0.00 -0.53 0.00 0.00 39.78 36.20 1xmw n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xmw n GLY 35 N -0.63 1.58 2.88 8.20 0.00 -1.26 -4.96 105.19 111.00 1xmw n GLY 35 Ca -0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1xmw n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xmw s GLN 36 N -1.07 1.31 0.28 1.61 -0.44 -0.05 -5.11 119.66 116.19 1xmw s GLN 36 Ca 0.00 -0.86 -0.29 0.00 -2.50 0.00 0.00 55.36 51.71 1xmw s GLN 36 Cb 0.00 -2.45 -0.10 0.00 -1.64 0.00 0.00 33.01 28.83 1xmw s GLN 36 CO 0.00 -0.63 1.21 -1.21 0.50 0.00 0.00 175.29 175.16 1xmw s GLU 37 N 1.52 4.49 -0.04 1.67 2.02 -1.26 -0.24 118.70 126.85 1xmw s GLU 37 Ca -0.04 2.00 0.02 0.00 0.02 0.00 0.00 54.97 56.97 1xmw s GLU 37 Cb -0.18 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.91 1xmw s GLU 37 CO -0.07 -0.03 -0.07 -0.48 0.02 0.00 0.00 175.26 174.63 1xmw s LEU 38 N -1.29 1.52 0.00 1.80 2.34 -1.01 -4.94 118.68 117.10 1xmw s LEU 38 Ca 0.48 -0.17 -0.04 0.00 0.06 0.00 0.00 54.13 54.47 1xmw s LEU 38 Cb -0.36 -0.54 0.05 0.00 -0.56 0.00 0.00 46.19 44.79 1xmw s LEU 38 CO 0.45 -0.01 0.22 -0.81 -1.06 0.00 0.00 176.35 175.14 1xmw n PRO 39 N 3.79 -0.91 -1.45 1.48 -0.04 -1.26 -4.25 135.00 132.36 1xmw n PRO 39 Ca -0.23 -0.35 0.08 0.00 -0.04 0.00 0.00 63.50 62.96 1xmw n PRO 39 Cb 0.52 -0.28 -0.04 0.00 -0.04 0.00 0.00 33.50 33.65 1xmw n PRO 39 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1xmw n GLN 40 N -1.87 -3.62 -2.86 0.54 -0.06 -1.26 -4.93 117.38 103.32 1xmw n GLN 40 Ca 0.03 2.88 -0.01 0.00 -2.00 0.00 0.00 57.00 57.89 1xmw n GLN 40 Cb 0.11 -3.81 -0.01 0.00 -4.06 0.00 0.00 30.24 22.47 1xmw n GLN 40 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1xmw n LYS 41 N -3.37 -2.61 -1.69 3.69 5.02 -1.26 -4.90 118.16 113.04 1xmw n LYS 41 Ca -0.04 2.22 -0.09 0.00 -2.02 0.00 0.00 58.31 58.37 1xmw n LYS 41 Cb 0.56 -3.70 0.08 0.00 -0.02 0.00 0.00 35.03 31.95 1xmw n LYS 41 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1xmw n HIS 42 N 1.22 1.48 -3.04 2.13 1.44 -1.26 -4.65 115.22 112.54 1xmw n HIS 42 Ca -0.07 -1.84 -0.30 0.00 -2.01 0.00 0.00 57.72 53.49 1xmw n HIS 42 Cb 0.25 -0.28 -0.04 0.00 0.12 0.00 0.00 29.99 30.04 1xmw n HIS 42 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1xmw s ASP 43 N -3.38 6.53 0.64 4.39 1.11 -1.26 -3.99 116.67 120.71 1xmw s ASP 43 Ca 0.42 1.02 0.35 0.00 0.18 0.00 0.00 52.55 54.52 1xmw s ASP 43 Cb 0.38 -2.27 1.96 0.00 1.07 0.00 0.00 42.92 44.06 1xmw s ASP 43 CO -0.02 -0.31 2.17 0.50 1.18 0.00 0.00 175.17 178.69 1xmw h LYS 44 N 1.53 0.00 -5.13 8.23 3.64 -1.90 -3.39 116.57 119.55 1xmw h LYS 44 Ca -0.47 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.27 1xmw h LYS 44 Cb 1.19 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 1xmw h LYS 44 CO 0.65 0.00 -0.63 -1.01 -2.27 0.00 0.00 179.45 176.19 1xmw s HIS 45 N -4.31 3.09 -0.83 1.91 3.76 -1.26 0.12 115.29 117.77 1xmw s HIS 45 Ca -0.04 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 1xmw s HIS 45 Cb 0.13 -2.11 0.18 0.00 1.11 0.00 0.00 32.58 31.89 1xmw s HIS 45 CO 0.42 -0.17 0.86 -1.17 -0.85 0.00 0.00 174.74 173.83 1xmw s LEU 46 N 0.97 6.19 -0.03 0.89 2.96 0.24 -4.79 118.68 125.10 1xmw s LEU 46 Ca 0.02 -2.41 -0.24 0.00 -0.22 0.00 0.00 54.13 51.28 1xmw s LEU 46 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1xmw s LEU 46 CO 0.02 -0.75 0.74 -0.69 -1.32 0.00 0.00 176.35 174.35 1xmw s VAL 47 N 1.07 4.95 -0.35 1.68 1.01 -1.24 -1.78 120.40 125.73 1xmw s VAL 47 Ca 0.21 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1xmw s VAL 47 Cb -0.10 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.29 1xmw s VAL 47 CO -0.08 0.28 0.08 -0.76 0.00 0.00 0.00 175.10 174.62 1xmw s LEU 48 N 0.56 4.70 0.47 3.92 1.43 0.13 -4.86 118.68 125.03 1xmw s LEU 48 Ca 0.39 -1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 51.36 1xmw s LEU 48 Cb -0.19 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1xmw s LEU 48 CO 0.20 -0.40 1.06 0.00 0.23 0.00 0.00 176.35 177.44 1xmw s GLN 49 N 1.05 3.81 -1.33 1.70 0.00 -1.26 -2.03 119.66 121.60 1xmw s GLN 49 Ca 0.06 1.46 -0.04 0.00 -0.00 0.00 0.00 55.36 56.84 1xmw s GLN 49 Cb -0.21 -2.19 -0.00 0.00 0.00 0.00 0.00 33.01 30.61 1xmw s GLN 49 CO -0.05 -0.44 0.56 -0.25 0.00 0.00 0.00 175.29 175.11 1xmw n ASP 50 N -0.80 -1.48 -4.75 12.60 9.92 -1.03 -4.90 116.55 126.11 1xmw n ASP 50 Ca 0.09 -0.96 -0.34 0.00 -0.53 0.00 0.00 54.79 53.05 1xmw n ASP 50 Cb 0.51 -3.40 0.06 0.00 -0.64 0.00 0.00 41.12 37.66 1xmw n ASP 50 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1xmw s PHE 51 N -3.79 2.44 -0.01 1.24 2.19 0.15 -5.03 117.98 115.17 1xmw s PHE 51 Ca 0.09 1.57 0.01 0.00 0.33 0.00 0.00 56.93 58.93 1xmw s PHE 51 Cb -0.03 -3.28 -0.00 0.00 -1.31 0.00 0.00 43.02 38.40 1xmw s PHE 51 CO 0.86 -1.98 -0.04 -1.12 1.83 0.00 0.00 175.22 174.78 1xmw s SER 52 N -2.33 0.49 0.00 6.13 0.01 -1.26 -4.59 113.70 112.15 1xmw s SER 52 Ca 0.70 -0.07 0.23 0.00 1.31 0.00 0.00 55.95 58.12 1xmw s SER 52 Cb -0.24 -0.08 1.29 0.00 0.21 0.00 0.00 66.02 67.21 1xmw s SER 52 CO 0.41 0.04 1.85 1.21 0.41 0.00 0.00 173.24 177.16 1xmw n GLU 53 N 3.10 1.14 -0.09 12.44 0.00 -1.25 -1.53 120.64 134.43 1xmw n GLU 53 Ca -0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 57.16 56.67 1xmw n GLU 53 Cb 0.58 -1.38 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 1xmw n GLU 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1xmw n VAL 54 N -0.65 1.49 -0.01 6.31 0.31 -1.26 -4.32 118.33 120.20 1xmw n VAL 54 Ca 0.17 0.04 0.07 0.00 -0.01 0.00 0.00 64.34 64.61 1xmw n VAL 54 Cb 0.13 -2.19 -0.12 0.00 -0.91 0.00 0.00 33.84 30.75 1xmw n VAL 54 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1xmw n GLU 55 N -4.48 0.55 -0.78 5.55 2.13 -1.25 -4.40 120.64 117.96 1xmw n GLU 55 Ca -0.24 -0.14 0.02 0.00 0.66 0.00 0.00 57.16 57.47 1xmw n GLU 55 Cb 0.53 -1.38 0.31 0.00 0.27 0.00 0.00 31.44 31.17 1xmw n GLU 55 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xmw n ASP 56 N -2.09 4.72 -4.41 4.31 2.03 -0.58 -4.89 116.55 115.64 1xmw n ASP 56 Ca -0.04 -2.85 -0.33 0.00 0.52 0.00 0.00 54.79 52.09 1xmw n ASP 56 Cb 0.45 -0.67 -0.14 0.00 -0.72 0.00 0.00 41.12 40.04 1xmw n ASP 56 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1xmw s SER 57 N -0.67 4.12 0.00 1.67 0.15 -1.23 -4.82 113.70 112.92 1xmw s SER 57 Ca 0.45 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1xmw s SER 57 Cb 0.35 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1xmw s SER 57 CO 0.12 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1xmw n GLY 58 N 3.25 -0.12 3.86 9.45 0.00 -1.03 -4.98 105.19 115.61 1xmw n GLY 58 Ca -0.18 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1xmw n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmw s TYR 59 N -3.77 3.51 -0.00 1.61 1.51 -1.26 -0.46 117.35 118.49 1xmw s TYR 59 Ca 0.00 0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 57.02 1xmw s TYR 59 Cb 0.00 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1xmw s TYR 59 CO 0.00 0.34 0.00 0.71 -1.11 0.00 0.00 175.55 175.50 1xmw s TYR 60 N -1.65 0.00 0.05 2.71 2.02 0.16 0.34 117.35 120.99 1xmw s TYR 60 Ca 0.43 -0.00 -0.23 0.00 -0.37 0.00 0.00 57.07 56.90 1xmw s TYR 60 Cb -0.13 -0.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1xmw s TYR 60 CO 0.20 -0.00 0.53 0.54 -1.57 0.00 0.00 175.55 175.25 1xmw s VAL 61 N -0.02 0.03 0.12 0.71 0.11 -1.16 -1.77 120.40 118.41 1xmw s VAL 61 Ca -0.00 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1xmw s VAL 61 Cb -0.00 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1xmw s VAL 61 CO -0.00 -0.12 -0.10 0.00 -3.33 0.00 0.00 175.10 171.55 1xmw s TYR 63 N -3.04 0.39 0.19 0.00 2.02 0.52 -4.92 117.35 112.50 1xmw s TYR 63 Ca 0.12 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1xmw s TYR 63 Cb 0.01 0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.84 1xmw s TYR 63 CO -0.00 -1.15 0.10 0.95 -1.57 0.00 0.00 175.55 173.87 1xmw s THR 64 N -3.54 0.18 -1.10 -0.71 -4.23 -1.09 -0.23 115.64 104.92 1xmw s THR 64 Ca 0.21 -1.98 0.15 0.00 -1.18 0.00 0.00 61.69 58.90 1xmw s THR 64 Cb -0.02 -2.38 0.16 0.00 1.34 0.00 0.00 72.50 71.60 1xmw s THR 64 CO 0.11 -0.15 1.48 -0.81 -0.54 0.00 0.00 174.62 174.72 1xmw n PRO 65 N -0.26 0.05 -0.01 3.99 -0.04 -1.26 -3.00 135.00 134.47 1xmw n PRO 65 Ca -0.01 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 1xmw n PRO 65 Cb 0.65 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1xmw n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xmw n ALA 66 N -1.45 2.08 -3.81 0.55 0.00 -1.26 -4.92 120.51 111.70 1xmw n ALA 66 Ca 0.05 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 1xmw n ALA 66 Cb 0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.43 1xmw n ALA 66 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xmw s SER 67 N -2.85 5.06 -0.34 0.00 1.04 -1.16 -5.04 113.70 110.40 1xmw s SER 67 Ca -0.02 -1.89 -0.04 0.00 0.48 0.00 0.00 55.95 54.48 1xmw s SER 67 Cb 0.02 -1.76 0.06 0.00 0.10 0.00 0.00 66.02 64.45 1xmw s SER 67 CO 0.19 -0.44 0.10 0.21 0.98 0.00 0.00 173.24 174.27 1xmw s ASN 68 N 1.49 5.16 0.17 7.02 3.84 -1.26 -2.67 114.94 128.69 1xmw s ASN 68 Ca 0.06 -1.41 0.07 0.00 0.21 0.00 0.00 52.86 51.79 1xmw s ASN 68 Cb -0.21 -1.81 -0.04 0.00 -0.55 0.00 0.00 41.25 38.64 1xmw s ASN 68 CO -0.04 -0.36 -0.14 -0.75 -2.79 0.00 0.00 177.10 173.01 1xmw s LYS 69 N 1.29 1.22 -0.61 0.43 2.47 -1.26 -5.10 119.74 118.17 1xmw s LYS 69 Ca -0.01 -1.46 -0.12 0.00 -1.56 0.00 0.00 55.97 52.82 1xmw s LYS 69 Cb -0.21 -1.05 0.16 0.00 -1.46 0.00 0.00 37.83 35.27 1xmw s LYS 69 CO -0.00 0.18 0.52 -0.80 0.16 0.00 0.00 175.35 175.42 1xmw s ASN 70 N -2.99 6.10 0.05 1.43 -0.87 -1.26 -5.03 114.94 112.37 1xmw s ASN 70 Ca 0.17 -2.22 -0.02 0.00 -1.57 0.00 0.00 52.86 49.22 1xmw s ASN 70 Cb -0.02 -2.11 -0.03 0.00 -0.02 0.00 0.00 41.25 39.07 1xmw s ASN 70 CO 0.05 -0.67 0.01 0.28 -2.57 0.00 0.00 177.10 174.20 1xmw s THR 71 N 0.91 0.20 0.03 1.60 -1.32 -1.26 -1.29 115.64 114.50 1xmw s THR 71 Ca 0.10 -1.62 -0.13 0.00 -1.21 0.00 0.00 61.69 58.82 1xmw s THR 71 Cb -0.22 -1.39 0.02 0.00 -1.51 0.00 0.00 72.50 69.40 1xmw s THR 71 CO -0.02 -0.90 0.29 -0.31 -2.21 0.00 0.00 174.62 171.47 1xmw s TYR 72 N -3.70 -0.10 -0.07 9.09 1.51 -0.95 -4.82 117.35 118.31 1xmw s TYR 72 Ca 0.05 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 1xmw s TYR 72 Cb 0.06 0.08 0.02 0.00 -0.11 0.00 0.00 41.96 42.01 1xmw s TYR 72 CO -0.09 -0.46 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.67 1xmw s LEU 73 N -1.87 1.09 -0.80 -1.29 0.20 -0.73 0.13 118.68 115.41 1xmw s LEU 73 Ca -0.07 -0.18 -0.22 0.00 0.69 0.00 0.00 54.13 54.35 1xmw s LEU 73 Cb -0.02 -0.59 0.08 0.00 -0.43 0.00 0.00 46.19 45.22 1xmw s LEU 73 CO -0.01 -0.11 1.13 -0.47 -0.29 0.00 0.00 176.35 176.60 1xmw s TYR 74 N 1.43 2.71 -0.34 5.38 6.14 0.39 0.36 117.35 133.42 1xmw s TYR 74 Ca -0.02 -0.74 -0.22 0.00 0.64 0.00 0.00 57.07 56.74 1xmw s TYR 74 Cb -0.13 -4.41 0.00 0.00 0.42 0.00 0.00 41.96 37.84 1xmw s TYR 74 CO -0.03 -1.72 0.70 -1.17 0.64 0.00 0.00 175.55 173.97 1xmw s LEU 75 N 4.11 4.18 -0.32 6.97 2.96 0.39 -1.28 118.68 135.68 1xmw s LEU 75 Ca 0.30 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 1xmw s LEU 75 Cb -0.10 -2.90 0.10 0.00 0.50 0.00 0.00 46.19 43.79 1xmw s LEU 75 CO 0.03 -0.62 0.10 -0.75 -1.32 0.00 0.00 176.35 173.78 1xmw s LYS 76 N 2.84 0.89 0.11 1.98 2.20 -0.93 -2.47 119.74 124.36 1xmw s LYS 76 Ca 0.28 -1.28 0.04 0.00 -0.36 0.00 0.00 55.97 54.65 1xmw s LYS 76 Cb -0.14 -2.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1xmw s LYS 76 CO 0.15 -0.99 -0.11 0.00 -0.36 0.00 0.00 175.35 174.04 1xmw s ALA 77 N 1.41 1.24 -0.14 3.13 0.00 -1.25 0.68 121.76 126.83 1xmw s ALA 77 Ca 0.10 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1xmw s ALA 77 Cb -0.18 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xmw s ALA 77 CO -0.21 0.01 -0.19 0.50 0.00 0.00 0.00 175.76 175.87 1xmw s ARG 78 N -2.76 2.75 -0.15 0.00 6.06 -1.24 -3.87 118.95 119.74 1xmw s ARG 78 Ca 0.07 -0.75 -0.04 0.00 -2.50 0.00 0.00 55.73 52.50 1xmw s ARG 78 Cb -0.03 -2.28 0.07 0.00 0.06 0.00 0.00 34.95 32.77 1xmw s ARG 78 CO 0.01 -0.06 0.23 0.14 -2.50 0.00 0.00 175.30 173.12 1xmw s VAL 79 N 0.95 -0.36 0.00 7.11 -7.23 -1.26 -5.02 120.40 114.58 1xmw s VAL 79 Ca -0.05 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1xmw s VAL 79 Cb -0.15 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1xmw s VAL 79 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1xmw n GLY 80 N 5.34 2.09 2.12 2.32 0.00 -1.26 -4.69 105.19 111.11 1xmw n GLY 80 Ca -0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1xmw n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xmw n SER 81 N 0.00 -1.08 -4.55 1.61 7.64 -1.26 -5.08 113.62 110.90 1xmw n SER 81 Ca 0.00 -2.05 -0.36 0.00 1.01 0.00 0.00 58.87 57.47 1xmw n SER 81 Cb 0.00 1.89 -0.03 0.00 -1.01 0.00 0.00 64.21 65.05 1xmw n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmw s ALA 82 N -1.98 1.83 0.59 -0.43 0.00 -1.26 -4.93 121.76 115.58 1xmw s ALA 82 Ca 0.14 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 1xmw s ALA 82 Cb -0.02 -4.34 -0.03 0.00 0.00 0.00 0.00 23.12 18.73 1xmw s ALA 82 CO 0.10 -4.28 1.32 -3.47 0.00 0.00 0.00 175.76 169.43 1xmw n ASP 83 N 14.58 2.37 -1.84 0.00 2.03 -1.26 -4.92 116.55 127.50 1xmw n ASP 83 Ca 0.30 0.92 -0.21 0.00 0.52 0.00 0.00 54.79 56.32 1xmw n ASP 83 Cb 0.53 -1.56 0.11 0.00 -0.72 0.00 0.00 41.12 39.49 1xmw n ASP 83 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xmw n ASP 84 N -1.32 4.74 -2.35 1.67 -0.08 -1.26 -5.00 116.55 112.95 1xmw n ASP 84 Ca 0.13 -3.76 -0.11 0.00 -1.51 0.00 0.00 54.79 49.54 1xmw n ASP 84 Cb 0.46 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 43.21 1xmw n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xmw n ALA 85 N -0.96 -0.01 -2.59 -1.67 0.00 -1.26 -5.08 120.51 108.95 1xmw n ALA 85 Ca 0.47 -1.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 1xmw n ALA 85 Cb 0.98 0.91 0.04 0.00 0.00 0.00 0.00 19.45 21.39 1xmw n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xmw n LYS 86 N -0.39 2.21 -1.62 0.00 5.02 -1.26 -4.96 118.16 117.16 1xmw n LYS 86 Ca 0.02 -3.65 -0.41 0.00 -2.02 0.00 0.00 58.31 52.25 1xmw n LYS 86 Cb 0.39 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 1xmw n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xmw n LYS 87 N -0.61 3.10 -0.04 1.97 3.00 -1.26 -4.44 118.16 119.88 1xmw n LYS 87 Ca 0.17 -2.50 -0.08 0.00 -0.00 0.00 0.00 58.31 55.90 1xmw n LYS 87 Cb 0.86 -3.15 -0.03 0.00 0.00 0.00 0.00 35.03 32.71 1xmw n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xmw n ASP 88 N 5.37 1.52 -4.63 3.14 -0.08 -1.26 -5.02 116.55 115.59 1xmw n ASP 88 Ca 0.59 0.24 -0.33 0.00 -1.51 0.00 0.00 54.79 53.79 1xmw n ASP 88 Cb 0.35 -0.56 -0.10 0.00 2.34 0.00 0.00 41.12 43.15 1xmw n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xmw s ALA 89 N -2.49 3.13 1.00 -1.67 0.00 -1.26 -5.12 121.76 115.35 1xmw s ALA 89 Ca -0.19 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1xmw s ALA 89 Cb 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1xmw s ALA 89 CO 0.26 0.62 0.00 0.00 0.00 0.00 0.00 175.76 176.65 1xmw n ALA 90 N 1.57 0.00 -4.41 0.00 0.00 -1.26 -5.07 120.51 111.33 1xmw n ALA 90 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1xmw n ALA 90 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1xmw n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xmw n LYS 91 N -1.71 0.67 -2.90 0.00 4.81 -1.26 -5.06 118.16 112.70 1xmw n LYS 91 Ca 0.00 -3.10 -0.43 0.00 -0.87 0.00 0.00 58.31 53.91 1xmw n LYS 91 Cb 0.00 1.54 0.01 0.00 0.02 0.00 0.00 35.03 36.60 1xmw n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1xmw n LYS 92 N -0.86 3.95 -4.02 1.64 4.81 -1.26 -4.95 118.16 117.46 1xmw n LYS 92 Ca -0.07 -4.19 -0.31 0.00 -0.87 0.00 0.00 58.31 52.86 1xmw n LYS 92 Cb 0.55 -2.69 -0.16 0.00 0.02 0.00 0.00 35.03 32.76 1xmw n LYS 92 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xmw s ASP 93 N 0.05 3.77 -0.05 3.14 -1.08 -1.26 -5.10 116.67 116.14 1xmw s ASP 93 Ca 0.35 -1.07 -0.28 0.00 -0.52 0.00 0.00 52.55 51.02 1xmw s ASP 93 Cb 0.02 -1.35 -0.03 0.00 -1.46 0.00 0.00 42.92 40.11 1xmw s ASP 93 CO 0.03 -0.16 0.92 1.51 0.52 0.00 0.00 175.17 177.99 1xmw s ASP 94 N 1.29 7.24 -0.54 -0.34 -4.77 -1.26 -4.97 116.67 113.32 1xmw s ASP 94 Ca -0.04 1.50 0.06 0.00 -3.30 0.00 0.00 52.55 50.78 1xmw s ASP 94 Cb -0.17 -2.53 0.34 0.00 -1.09 0.00 0.00 42.92 39.47 1xmw s ASP 94 CO -0.07 -0.28 0.91 0.00 0.70 0.00 0.00 175.17 176.43 1xmw n ALA 95 N 4.18 4.21 -3.76 2.11 0.00 -1.26 -4.89 120.51 121.11 1xmw n ALA 95 Ca 0.05 -4.46 -0.29 0.00 0.00 0.00 0.00 53.44 48.74 1xmw n ALA 95 Cb 0.50 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1xmw n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xmw n LYS 96 N -0.16 -4.70 0.00 0.00 4.01 -1.26 -4.24 118.16 111.82 1xmw n LYS 96 Ca 0.30 0.56 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 1xmw n LYS 96 Cb 0.44 -5.40 0.00 0.00 -0.51 0.00 0.00 35.03 29.57 1xmw n LYS 96 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1xmw n LYS 97 N -4.38 0.00 -3.58 1.97 5.02 -1.26 -4.79 118.16 111.14 1xmw n LYS 97 Ca 0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 1xmw n LYS 97 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.58 1xmw n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xmw n ASP 98 N 2.69 -5.72 -4.25 4.39 2.03 -1.26 -5.00 116.55 109.43 1xmw n ASP 98 Ca 0.00 -0.87 -0.23 0.00 0.52 0.00 0.00 54.79 54.21 1xmw n ASP 98 Cb 0.00 -3.60 -0.13 0.00 -0.72 0.00 0.00 41.12 36.67 1xmw n ASP 98 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xmw s ASP 99 N -3.35 2.33 0.30 1.67 2.15 -1.26 -5.07 116.67 113.43 1xmw s ASP 99 Ca 0.37 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1xmw s ASP 99 Cb -0.12 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 1xmw s ASP 99 CO 0.84 0.05 0.00 0.00 -0.17 0.00 0.00 175.17 175.90 1xmw n ALA 100 N 1.32 -2.61 0.08 3.66 0.00 -1.26 -4.94 120.51 116.76 1xmw n ALA 100 Ca -0.19 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xmw n ALA 100 Cb 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1xmw n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xmw n LYS 101 N -2.69 0.00 -0.12 0.00 4.81 -1.26 -4.95 118.16 113.95 1xmw n LYS 101 Ca 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1xmw n LYS 101 Cb 0.36 -0.07 -0.12 0.00 0.02 0.00 0.00 35.03 35.22 1xmw n LYS 101 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1xmw n LYS 102 N -3.13 0.66 -3.58 1.64 3.00 -1.26 -5.04 118.16 110.44 1xmw n LYS 102 Ca 0.00 0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 58.36 1xmw n LYS 102 Cb 0.03 -1.54 -0.05 0.00 0.00 0.00 0.00 35.03 33.47 1xmw n LYS 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1xmw s ASP 103 N -6.56 -0.41 -0.86 3.14 1.47 -1.26 -5.10 116.67 107.10 1xmw s ASP 103 Ca -0.34 0.50 -0.05 0.00 1.18 0.00 0.00 52.55 53.85 1xmw s ASP 103 Cb 0.09 0.41 0.22 0.00 -0.34 0.00 0.00 42.92 43.29 1xmw s ASP 103 CO 0.62 -0.34 0.75 -0.83 0.68 0.00 0.00 175.17 176.04 1xmw s GLY 104 N -0.93 2.92 0.14 2.12 0.00 -1.26 -4.95 107.32 105.35 1xmw s GLY 104 Ca -0.02 -3.64 -0.13 0.00 0.00 0.00 0.00 44.72 40.92 1xmw s GLY 104 CO 0.01 1.20 0.64 1.44 0.00 0.00 0.00 173.10 176.39 1xmw n SER 105 N 2.86 -1.17 -3.66 1.64 7.64 -1.26 -5.16 113.62 114.51 1xmw n SER 105 Ca 0.18 -1.65 -0.13 0.00 1.01 0.00 0.00 58.87 58.28 1xmw n SER 105 Cb 0.39 1.91 -0.13 0.00 -1.01 0.00 0.00 64.21 65.37 1xmw n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmw s GLN 106 N -2.04 0.17 0.50 1.43 -2.07 -1.26 -5.01 119.66 111.38 1xmw s GLN 106 Ca 0.14 0.79 0.25 0.00 -1.82 0.00 0.00 55.36 54.72 1xmw s GLN 106 Cb -0.02 0.02 1.29 0.00 -1.09 0.00 0.00 33.01 33.21 1xmw s GLN 106 CO 0.04 -0.28 2.01 1.15 -1.32 0.00 0.00 175.29 176.89 1xmw h THR 107 N 6.26 0.62 -5.63 3.63 2.02 -2.03 -3.47 112.91 114.31 1xmw h THR 107 Ca -0.15 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.24 1xmw h THR 107 Cb 1.11 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1xmw h THR 107 CO 0.14 0.16 -0.74 -3.20 0.37 0.00 0.00 175.52 172.24 1xmw n ASN 108 N -3.64 -7.31 -0.04 4.18 2.85 -1.26 -4.97 115.26 105.07 1xmw n ASN 108 Ca -0.01 0.44 -0.04 0.00 -0.11 0.00 0.00 54.58 54.86 1xmw n ASN 108 Cb 0.28 -4.33 -0.06 0.00 1.24 0.00 0.00 39.78 36.92 1xmw n ASN 108 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1xmw n LYS 109 N -0.12 2.41 -1.92 1.20 4.81 -1.26 -4.84 118.16 118.44 1xmw n LYS 109 Ca 0.05 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.26 1xmw n LYS 109 Cb 0.48 -1.20 -0.08 0.00 0.02 0.00 0.00 35.03 34.25 1xmw n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xmw s ALA 110 N -2.19 1.37 -0.13 3.14 0.00 -1.26 -4.57 121.76 118.12 1xmw s ALA 110 Ca -0.05 -1.87 0.18 0.00 0.00 0.00 0.00 51.96 50.22 1xmw s ALA 110 Cb 0.02 -4.67 -0.21 0.00 0.00 0.00 0.00 23.12 18.26 1xmw s ALA 110 CO 0.30 -5.73 0.53 1.17 0.00 0.00 0.00 175.76 172.03 1xmw n LYS 111 N 8.31 0.65 -0.46 0.00 4.81 -1.26 -5.07 118.16 125.13 1xmw n LYS 111 Ca 0.44 0.07 0.06 0.00 -0.87 0.00 0.00 58.31 58.01 1xmw n LYS 111 Cb 0.47 -1.66 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 1xmw n LYS 111 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1xmw n ARG 112 N -2.72 -0.94 0.00 1.64 3.00 -1.26 -4.66 116.66 111.72 1xmw n ARG 112 Ca -0.15 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 1xmw n ARG 112 Cb 0.88 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 32.20 1xmw n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xmw n ALA 113 N -0.83 -0.00 -2.65 5.13 0.00 -1.26 -4.85 120.51 116.05 1xmw n ALA 113 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1xmw n ALA 113 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 1xmw n ALA 113 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xmw s LEU 114 N -1.63 4.22 -0.27 0.00 0.20 -1.26 -3.30 118.68 116.64 1xmw s LEU 114 Ca 0.00 0.59 -0.16 0.00 0.69 0.00 0.00 54.13 55.25 1xmw s LEU 114 Cb 0.00 -3.34 0.08 0.00 -0.43 0.00 0.00 46.19 42.50 1xmw s LEU 114 CO 0.00 -0.02 0.66 -1.61 -0.29 0.00 0.00 176.35 175.09 1xmw s GLU 115 N -2.97 0.69 -0.13 1.98 2.02 0.17 -4.91 118.70 115.55 1xmw s GLU 115 Ca 0.41 1.15 -0.04 0.00 0.02 0.00 0.00 54.97 56.51 1xmw s GLU 115 Cb -0.12 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.23 1xmw s GLU 115 CO 0.26 -0.14 0.01 0.54 0.02 0.00 0.00 175.26 175.95 1xmw s VAL 116 N 1.46 4.37 0.22 2.63 0.11 -1.26 0.12 120.40 128.05 1xmw s VAL 116 Ca -0.09 -0.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1xmw s VAL 116 Cb -0.05 -2.89 -0.05 0.00 -1.53 0.00 0.00 36.38 31.86 1xmw s VAL 116 CO -0.17 0.55 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.89 1xmw s LEU 117 N -0.32 2.35 -0.30 2.54 2.96 -0.99 -4.97 118.68 119.96 1xmw s LEU 117 Ca 0.07 -1.16 0.01 0.00 -0.22 0.00 0.00 54.13 52.83 1xmw s LEU 117 Cb -0.12 -0.40 0.09 0.00 0.50 0.00 0.00 46.19 46.26 1xmw s LEU 117 CO 0.02 -0.41 0.04 -1.61 -1.32 0.00 0.00 176.35 173.07 1xmw s GLU 118 N -3.79 1.21 0.07 1.98 8.01 -1.26 -2.27 118.70 122.65 1xmw s GLU 118 Ca 0.26 -1.30 0.07 0.00 0.01 0.00 0.00 54.97 54.01 1xmw s GLU 118 Cb 0.04 -2.56 -0.03 0.00 -4.31 0.00 0.00 34.13 27.28 1xmw s GLU 118 CO 0.08 -0.86 -0.19 0.00 0.01 0.00 0.00 175.26 174.30 1xmw s ALA 119 N 1.33 1.59 -1.39 5.21 0.00 0.14 -4.79 121.76 123.84 1xmw s ALA 119 Ca 0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1xmw s ALA 119 Cb -0.18 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1xmw s ALA 119 CO -0.14 0.32 0.59 -1.91 0.00 0.00 0.00 175.76 174.62 1xmw n GLU 120 N 1.45 -4.09 -1.77 0.00 2.13 -1.26 0.21 120.64 117.31 1xmw n GLU 120 Ca -0.19 0.50 -0.14 0.00 0.66 0.00 0.00 57.16 57.99 1xmw n GLU 120 Cb 0.54 -4.89 -0.04 0.00 0.27 0.00 0.00 31.44 27.32 1xmw n GLU 120 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xmw n ASP 121 N -2.99 -3.97 -4.18 4.31 9.92 -1.26 -4.93 116.55 113.45 1xmw n ASP 121 Ca -0.26 0.28 -0.20 0.00 -0.53 0.00 0.00 54.79 54.08 1xmw n ASP 121 Cb 0.66 -3.55 -0.13 0.00 -0.64 0.00 0.00 41.12 37.46 1xmw n ASP 121 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1xmw s LYS 122 N -3.85 0.91 -0.01 -1.24 1.02 0.13 -3.52 119.74 113.19 1xmw s LYS 122 Ca 0.00 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.14 1xmw s LYS 122 Cb 0.00 -0.96 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1xmw s LYS 122 CO 0.00 0.22 -0.19 0.14 -0.92 0.00 0.00 175.35 174.61 1xmw s VAL 123 N -1.10 1.49 0.01 3.17 -7.23 -0.98 0.23 120.40 115.99 1xmw s VAL 123 Ca 0.01 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1xmw s VAL 123 Cb -0.09 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 1xmw s VAL 123 CO 0.02 0.40 0.11 -0.63 -0.31 0.00 0.00 175.10 174.69 1xmw s ILE 124 N -0.47 0.09 -0.33 -0.62 1.01 -0.96 -3.05 121.20 116.87 1xmw s ILE 124 Ca 0.07 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1xmw s ILE 124 Cb -0.07 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1xmw s ILE 124 CO -0.01 -0.43 0.32 -0.76 0.00 0.00 0.00 174.94 174.07 1xmw s LEU 125 N -1.51 4.42 -0.15 2.97 1.43 -1.11 -2.34 118.68 122.39 1xmw s LEU 125 Ca -0.14 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1xmw s LEU 125 Cb -0.07 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1xmw s LEU 125 CO 0.00 -0.29 0.07 -0.54 0.23 0.00 0.00 176.35 175.82 1xmw s LYS 126 N 1.94 3.66 0.15 1.70 1.02 0.12 -2.06 119.74 126.27 1xmw s LYS 126 Ca 0.10 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.82 1xmw s LYS 126 Cb -0.17 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1xmw s LYS 126 CO 0.11 0.48 -0.03 0.00 -0.92 0.00 0.00 175.35 174.99 1xmw n ASN 128 N -0.18 0.00 0.00 0.00 2.85 -1.21 -4.82 115.26 111.91 1xmw n ASN 128 Ca -0.09 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 1xmw n ASN 128 Cb 0.62 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.20 1xmw n ASN 128 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1xmw n SER 129 N -1.44 0.19 -4.61 1.20 3.41 -1.26 -5.12 113.62 105.99 1xmw n SER 129 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 1xmw n SER 129 Cb 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1xmw n SER 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xmw n SER 130 N 0.00 1.54 -4.68 4.04 3.41 -1.20 -3.86 113.62 112.88 1xmw n SER 130 Ca 0.00 1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 59.40 1xmw n SER 130 Cb 0.00 -1.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.52 1xmw n SER 130 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xmw s ILE 131 N -1.13 4.58 -0.14 -1.33 1.01 -1.26 -3.54 121.20 119.40 1xmw s ILE 131 Ca 0.59 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1xmw s ILE 131 Cb -0.64 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1xmw s ILE 131 CO 0.60 0.55 0.67 -0.89 0.00 0.00 0.00 174.94 175.87 1xmw s THR 132 N -0.40 5.02 -0.61 2.92 2.01 0.47 -4.92 115.64 120.14 1xmw s THR 132 Ca 0.09 1.32 -0.24 0.00 0.31 0.00 0.00 61.69 63.16 1xmw s THR 132 Cb -0.12 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.44 1xmw s THR 132 CO 0.02 0.17 1.00 -0.22 -0.69 0.00 0.00 174.62 174.90 1xmw s LEU 133 N 1.45 4.05 -0.06 4.42 1.98 -1.26 -1.15 118.68 128.11 1xmw s LEU 133 Ca 0.33 -0.55 -0.14 0.00 -2.89 0.00 0.00 54.13 50.87 1xmw s LEU 133 Cb -0.16 -2.68 -0.10 0.00 0.66 0.00 0.00 46.19 43.91 1xmw s LEU 133 CO 0.13 -1.39 0.58 -0.07 -1.89 0.00 0.00 176.35 173.72 1xmw h LEU 134 N 11.40 -0.27 0.00 -0.68 3.38 -1.81 -3.49 115.31 123.84 1xmw h LEU 134 Ca -0.27 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xmw h LEU 134 Cb 1.07 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xmw h LEU 134 CO 1.15 0.24 0.00 1.67 0.09 0.00 0.00 178.44 181.59 1xmw n GLN 135 N -4.98 0.00 0.00 1.13 -0.06 -1.19 -4.95 117.38 107.33 1xmw n GLN 135 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1xmw n GLN 135 Cb 0.20 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.38 1xmw n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xmw n GLY 136 N 0.00 2.15 3.55 1.69 0.00 -1.26 -2.42 105.19 108.90 1xmw n GLY 136 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1xmw n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xmw n THR 137 N 0.00 -0.05 -2.66 2.61 -1.04 0.31 -4.82 114.28 108.63 1xmw n THR 137 Ca 0.00 -0.66 -0.42 0.00 -2.04 0.00 0.00 64.05 60.94 1xmw n THR 137 Cb 0.00 -2.40 0.01 0.00 -1.82 0.00 0.00 70.33 66.12 1xmw n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xmw n ALA 138 N 17.21 5.86 -1.00 2.41 0.00 -1.26 -4.84 120.51 138.89 1xmw n ALA 138 Ca 0.42 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1xmw n ALA 138 Cb 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1xmw n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmw n GLY 139 N 0.69 -1.91 3.20 0.00 0.00 -1.26 -5.00 105.19 100.92 1xmw n GLY 139 Ca 0.42 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1xmw n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xmw s GLN 140 N 0.00 0.52 0.69 1.61 0.74 -1.00 -4.85 119.66 117.37 1xmw s GLN 140 Ca 0.00 0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.29 1xmw s GLN 140 Cb 0.00 0.24 0.01 0.00 1.10 0.00 0.00 33.01 34.36 1xmw s GLN 140 CO 0.00 -0.12 1.09 -1.21 -0.55 0.00 0.00 175.29 174.50 1xmw s GLU 141 N -0.77 2.70 0.00 1.67 2.02 -1.26 0.11 118.70 123.17 1xmw s GLU 141 Ca -0.09 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1xmw s GLU 141 Cb -0.04 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1xmw s GLU 141 CO 0.02 -1.30 0.00 1.55 0.02 0.00 0.00 175.26 175.55 1xmw n VAL 142 N -2.82 0.00 -0.31 2.63 3.14 0.56 -4.75 118.33 116.78 1xmw n VAL 142 Ca 0.09 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.56 1xmw n VAL 142 Cb 0.53 0.00 0.25 0.00 -1.06 0.00 0.00 33.84 33.55 1xmw n VAL 142 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1xmw h SER 143 N 0.00 0.56 -0.63 6.55 4.64 -1.96 -3.39 113.55 119.32 1xmw h SER 143 Ca 0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1xmw h SER 143 Cb 0.00 0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 1xmw h SER 143 CO 0.00 0.22 -0.30 -1.81 -0.87 0.00 0.00 176.83 174.07 1xmw s ASP 144 N -5.41 -0.95 -0.14 4.97 1.01 -1.26 -5.07 116.67 109.82 1xmw s ASP 144 Ca -0.12 -0.70 -0.05 0.00 0.71 0.00 0.00 52.55 52.38 1xmw s ASP 144 Cb 0.23 1.22 0.02 0.00 1.01 0.00 0.00 42.92 45.40 1xmw s ASP 144 CO 0.78 -0.08 0.11 0.59 0.21 0.00 0.00 175.17 176.78 1xmw n ASN 145 N 3.62 -4.52 0.00 0.27 4.13 -1.26 -4.83 115.26 112.67 1xmw n ASN 145 Ca 0.11 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.52 1xmw n ASN 145 Cb 0.60 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.00 1xmw n ASN 145 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1xmw n LYS 146 N 1.69 0.00 -3.76 3.52 5.02 -1.25 -3.21 118.16 120.17 1xmw n LYS 146 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 1xmw n LYS 146 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.22 1xmw n LYS 146 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xmw s THR 147 N 0.00 -0.04 0.06 -0.18 2.01 -1.26 -2.99 115.64 113.25 1xmw s THR 147 Ca 0.00 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 1xmw s THR 147 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.19 1xmw s THR 147 CO 0.00 0.05 0.41 -0.22 -0.69 0.00 0.00 174.62 174.17 1xmw s LEU 148 N 0.94 4.38 -0.45 4.42 1.98 -0.87 0.21 118.68 129.29 1xmw s LEU 148 Ca -0.07 0.85 -0.02 0.00 -2.89 0.00 0.00 54.13 52.00 1xmw s LEU 148 Cb -0.09 -2.87 0.12 0.00 0.66 0.00 0.00 46.19 44.01 1xmw s LEU 148 CO -0.05 0.22 0.24 0.21 -1.89 0.00 0.00 176.35 175.08 1xmw s ASN 149 N -1.55 5.18 0.17 3.68 3.04 0.29 -2.74 114.94 123.01 1xmw s ASN 149 Ca 0.30 -2.24 0.15 0.00 0.04 0.00 0.00 52.86 51.12 1xmw s ASN 149 Cb -0.15 -1.81 -0.05 0.00 -1.54 0.00 0.00 41.25 37.70 1xmw s ASN 149 CO 0.17 -0.49 1.18 -0.07 -3.04 0.00 0.00 177.10 174.85 1xmw h LEU 150 N 7.76 0.00 0.00 3.21 3.38 -1.84 -2.67 115.31 125.16 1xmw h LEU 150 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xmw h LEU 150 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xmw h LEU 150 CO 0.69 0.60 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1xmw n GLY 151 N 1.31 0.39 3.94 0.83 0.00 -1.26 -4.89 105.19 105.51 1xmw n GLY 151 Ca -0.03 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 1xmw n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmw s LYS 152 N 0.00 2.68 0.10 1.61 1.02 -1.26 -2.31 119.74 121.58 1xmw s LYS 152 Ca 0.00 -0.36 0.23 0.00 0.02 0.00 0.00 55.97 55.86 1xmw s LYS 152 Cb 0.00 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1xmw s LYS 152 CO 0.00 -0.74 1.01 2.89 -0.92 0.00 0.00 175.35 177.59 1xmw n ARG 153 N -2.50 0.44 0.00 1.68 1.85 -1.23 -3.87 116.66 113.03 1xmw n ARG 153 Ca 0.06 0.03 0.08 0.00 -1.00 0.00 0.00 57.85 57.01 1xmw n ARG 153 Cb 0.59 -1.68 0.36 0.00 -1.05 0.00 0.00 32.46 30.69 1xmw n ARG 153 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1xmw n ILE 154 N -2.25 0.78 0.21 8.89 -0.00 -1.26 -2.56 119.36 123.17 1xmw n ILE 154 Ca 0.01 0.19 0.04 0.00 -0.00 0.00 0.00 62.75 62.99 1xmw n ILE 154 Cb 0.49 -0.92 0.19 0.00 -0.00 0.00 0.00 39.64 39.40 1xmw n ILE 154 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1xmw n GLU 155 N -1.43 2.71 -3.23 0.38 0.00 -1.25 -4.93 120.64 112.89 1xmw n GLU 155 Ca 0.05 -1.46 -0.13 0.00 0.00 0.00 0.00 57.16 55.62 1xmw n GLU 155 Cb 0.17 -1.78 0.01 0.00 0.00 0.00 0.00 31.44 29.83 1xmw n GLU 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xmw n ASP 156 N 0.33 -6.88 -4.70 4.31 9.92 -1.06 -4.88 116.55 113.58 1xmw n ASP 156 Ca 0.13 -0.13 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1xmw n ASP 156 Cb 0.64 -4.04 -0.03 0.00 -0.64 0.00 0.00 41.12 37.06 1xmw n ASP 156 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1xmw s PRO 157 N -3.25 4.33 -0.20 -0.24 0.04 -1.26 -4.78 135.00 129.63 1xmw s PRO 157 Ca 0.12 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 1xmw s PRO 157 Cb -0.02 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 31.20 1xmw s PRO 157 CO 0.80 -0.45 0.44 -0.98 0.04 0.00 0.00 177.00 176.85 1xmw s ARG 158 N 1.65 0.35 0.00 4.56 1.70 -1.26 -1.56 118.95 124.39 1xmw s ARG 158 Ca 0.63 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.94 1xmw s ARG 158 Cb -0.33 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 1xmw s ARG 158 CO 0.28 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.67 1xmw n GLY 159 N 5.29 1.12 3.63 3.88 0.00 -0.15 0.11 105.19 119.07 1xmw n GLY 159 Ca -0.10 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1xmw n GLY 159 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xmw s MET 160 N -2.00 2.30 -0.12 1.61 -1.94 -1.02 0.97 119.30 119.10 1xmw s MET 160 Ca 0.00 -1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 52.82 1xmw s MET 160 Cb 0.00 -2.32 0.06 0.00 2.01 0.00 0.00 34.83 34.58 1xmw s MET 160 CO 0.00 0.46 0.24 0.71 -0.01 0.00 0.00 175.02 176.43 1xmw s TYR 161 N -1.63 -0.38 0.37 -0.03 2.02 0.08 -2.22 117.35 115.56 1xmw s TYR 161 Ca 0.26 0.90 0.07 0.00 -0.37 0.00 0.00 57.07 57.93 1xmw s TYR 161 Cb -0.10 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.38 1xmw s TYR 161 CO 0.17 -0.34 0.47 -1.14 -1.57 0.00 0.00 175.55 173.13 1xmw s GLN 162 N 2.40 2.93 0.56 -0.62 0.74 -0.30 -2.05 119.66 123.32 1xmw s GLN 162 Ca 0.02 -1.17 0.07 0.00 0.05 0.00 0.00 55.36 54.33 1xmw s GLN 162 Cb -0.12 -2.71 0.07 0.00 1.10 0.00 0.00 33.01 31.34 1xmw s GLN 162 CO -0.08 -0.05 0.58 0.00 -0.55 0.00 0.00 175.29 175.18 1xmw s GLY 164 N -4.41 2.59 0.11 0.00 0.00 -1.23 -4.67 107.32 99.72 1xmw s GLY 164 Ca 0.44 0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.93 1xmw s GLY 164 CO 0.28 0.43 1.50 -1.83 0.00 0.00 0.00 173.10 173.48 1xmw s GLU 165 N -1.87 4.26 0.00 2.90 -1.05 -1.26 -4.68 118.70 117.00 1xmw s GLU 165 Ca 0.40 2.21 0.00 0.00 -0.15 0.00 0.00 54.97 57.43 1xmw s GLU 165 Cb -0.17 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.22 1xmw s GLU 165 CO 0.21 -0.56 0.00 -1.71 0.95 0.00 0.00 175.26 174.15 1xmw n ASN 166 N 4.37 0.00 -0.03 0.83 5.15 -1.26 -4.97 115.26 119.34 1xmw n ASN 166 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1xmw n ASN 166 Cb 0.41 0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 39.81 1xmw n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xmw n ALA 167 N -1.92 2.09 -3.22 5.20 0.00 -1.26 -5.00 120.51 116.40 1xmw n ALA 167 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 53.44 52.92 1xmw n ALA 167 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 1xmw n ALA 167 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1xmw s LYS 168 N -2.59 0.10 0.23 0.00 2.47 -1.26 -5.14 119.74 113.54 1xmw s LYS 168 Ca -0.05 0.24 -0.30 0.00 -1.56 0.00 0.00 55.97 54.30 1xmw s LYS 168 Cb 0.06 0.14 -0.09 0.00 -1.46 0.00 0.00 37.83 36.48 1xmw s LYS 168 CO 0.52 -0.04 1.23 -1.12 0.16 0.00 0.00 175.35 176.10 1xmw s SER 169 N 2.25 7.01 0.01 1.43 0.01 -1.26 -4.91 113.70 118.24 1xmw s SER 169 Ca -0.01 2.37 0.01 0.00 1.31 0.00 0.00 55.95 59.63 1xmw s SER 169 Cb -0.03 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1xmw s SER 169 CO -0.16 -0.41 -0.04 0.12 0.41 0.00 0.00 173.24 173.17 1xmw s PHE 170 N -0.38 0.33 -0.30 2.43 5.36 -1.26 -4.60 117.98 119.55 1xmw s PHE 170 Ca 0.52 -0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 56.21 1xmw s PHE 170 Cb -0.35 -0.21 0.11 0.00 -0.34 0.00 0.00 43.02 42.23 1xmw s PHE 170 CO 0.41 -0.06 0.18 0.99 -1.46 0.00 0.00 175.22 175.27 1xmw s THR 171 N -0.67 -0.09 -0.14 0.12 2.01 -0.41 -0.70 115.64 115.76 1xmw s THR 171 Ca -0.05 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 1xmw s THR 171 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1xmw s THR 171 CO -0.00 -0.74 0.14 -0.22 -0.69 0.00 0.00 174.62 173.11 1xmw s LEU 172 N 1.92 4.34 0.00 4.42 0.20 -0.87 -2.24 118.68 126.45 1xmw s LEU 172 Ca 0.11 0.40 0.06 0.00 0.69 0.00 0.00 54.13 55.40 1xmw s LEU 172 Cb -0.17 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 1xmw s LEU 172 CO -0.28 0.34 -0.19 -1.58 -0.29 0.00 0.00 176.35 174.35 1xmw s GLN 173 N -0.63 2.18 0.03 1.98 0.74 0.34 -0.75 119.66 123.56 1xmw s GLN 173 Ca 0.13 -0.90 0.03 0.00 0.05 0.00 0.00 55.36 54.67 1xmw s GLN 173 Cb -0.12 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 1xmw s GLN 173 CO 0.02 0.57 -0.01 0.54 -0.55 0.00 0.00 175.29 175.86 1xmw s VAL 174 N -0.79 4.01 -0.34 1.34 0.11 0.27 -0.46 120.40 124.56 1xmw s VAL 174 Ca 0.12 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1xmw s VAL 174 Cb -0.10 -2.82 0.15 0.00 -1.53 0.00 0.00 36.38 32.08 1xmw s VAL 174 CO 0.02 0.30 0.34 -0.47 -3.33 0.00 0.00 175.10 171.97 1xmw s TYR 175 N -1.14 -0.36 -0.16 1.54 5.04 -0.41 -0.98 117.35 120.88 1xmw s TYR 175 Ca 0.21 -0.55 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 1xmw s TYR 175 Cb -0.11 -0.43 -0.04 0.00 0.35 0.00 0.00 41.96 41.72 1xmw s TYR 175 CO 0.12 -0.95 0.36 0.71 -1.34 0.00 0.00 175.55 174.45 1xmw s TYR 176 N 1.82 3.45 -0.21 4.97 1.51 -0.60 -2.18 117.35 126.11 1xmw s TYR 176 Ca 0.14 0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 56.85 1xmw s TYR 176 Cb -0.15 -2.44 0.06 0.00 -0.11 0.00 0.00 41.96 39.32 1xmw s TYR 176 CO -0.16 0.15 -0.01 1.03 -1.11 0.00 0.00 175.55 175.46 1xmw s ARG 177 N 0.73 1.09 0.00 -0.62 1.81 0.21 -4.67 118.95 117.51 1xmw s ARG 177 Ca 0.19 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1xmw s ARG 177 Cb -0.14 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.08 1xmw s ARG 177 CO 0.06 -0.61 0.00 -1.33 -0.68 0.00 0.00 175.30 172.75