#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw0 n ASN 2 N 0.00 0.02 0.08 6.12 3.02 -1.26 -1.31 115.26 121.92 1rw0 n ASN 2 Ca 0.00 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.18 1rw0 n ASN 2 Cb 0.00 -0.51 0.18 0.00 -0.61 0.00 0.00 39.78 38.84 1rw0 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rw0 h ALA 3 N 2.26 0.65 -4.26 5.41 0.00 -1.92 -3.41 119.26 117.99 1rw0 h ALA 3 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1rw0 h ALA 3 Cb 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.64 1rw0 h ALA 3 CO 0.00 0.00 -0.84 -1.17 0.00 0.00 0.00 179.25 177.24 1rw0 s LEU 4 N -4.50 2.07 -0.11 0.00 2.96 -0.43 -2.16 118.68 116.50 1rw0 s LEU 4 Ca 0.06 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1rw0 s LEU 4 Cb 0.12 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 1rw0 s LEU 4 CO 0.71 0.20 -0.21 -0.63 -1.32 0.00 0.00 176.35 175.11 1rw0 s ILE 5 N -0.52 2.36 -0.32 6.68 1.01 0.20 -4.85 121.20 125.76 1rw0 s ILE 5 Ca 0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1rw0 s ILE 5 Cb -0.07 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1rw0 s ILE 5 CO -0.00 0.55 0.19 -0.69 0.00 0.00 0.00 174.94 174.99 1rw0 s VAL 6 N 0.37 4.94 0.22 2.92 1.01 -1.26 -0.58 120.40 128.02 1rw0 s VAL 6 Ca -0.16 -0.31 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 1rw0 s VAL 6 Cb -0.17 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1rw0 s VAL 6 CO 0.08 0.04 1.49 -2.65 0.00 0.00 0.00 175.10 174.05 1rw0 n PRO 7 N 5.04 2.16 -3.21 2.72 -0.02 -1.26 -4.92 135.00 135.51 1rw0 n PRO 7 Ca -0.13 0.77 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 1rw0 n PRO 7 Cb 0.49 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1rw0 n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rw0 s GLN 8 N 0.03 3.02 0.14 -0.52 -1.52 -1.26 -4.99 119.66 114.56 1rw0 s GLN 8 Ca 0.71 -1.50 -0.22 0.00 -1.95 0.00 0.00 55.36 52.40 1rw0 s GLN 8 Cb -0.64 -4.28 0.07 0.00 -0.22 0.00 0.00 33.01 27.94 1rw0 s GLN 8 CO 0.45 -1.43 0.58 1.67 -0.25 0.00 0.00 175.29 176.32 1rw0 s TRP 9 N 2.14 -0.50 -0.31 0.91 1.48 -1.26 -4.57 118.94 116.83 1rw0 s TRP 9 Ca 0.07 0.32 -0.12 0.00 -1.06 0.00 0.00 56.10 55.31 1rw0 s TRP 9 Cb -0.27 0.51 -0.13 0.00 -1.16 0.00 0.00 33.47 32.42 1rw0 s TRP 9 CO 0.05 -0.81 1.53 -2.30 -4.06 0.00 0.00 176.95 171.35 1rw0 n PRO 10 N -0.27 0.68 -1.85 3.25 -0.02 -1.26 -4.87 135.00 130.65 1rw0 n PRO 10 Ca -0.17 -1.04 -0.42 0.00 -2.02 0.00 0.00 63.50 59.85 1rw0 n PRO 10 Cb 0.64 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1rw0 n PRO 10 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rw0 s LEU 11 N 0.20 4.38 0.75 2.45 2.96 -1.26 -4.97 118.68 123.19 1rw0 s LEU 11 Ca 0.35 2.48 -0.13 0.00 -0.22 0.00 0.00 54.13 56.61 1rw0 s LEU 11 Cb 0.08 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1rw0 s LEU 11 CO 0.10 -0.96 1.15 -2.16 -1.32 0.00 0.00 176.35 173.15 1rw0 s PRO 12 N 3.71 2.14 0.11 0.98 0.04 -1.26 -4.94 135.00 135.79 1rw0 s PRO 12 Ca 0.79 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1rw0 s PRO 12 Cb -0.39 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1rw0 s PRO 12 CO 0.35 -1.78 1.15 1.63 0.04 0.00 0.00 177.00 178.39 1rw0 n LYS 13 N -3.05 -0.31 -0.60 4.56 5.02 -1.26 -2.52 118.16 120.00 1rw0 n LYS 13 Ca 0.12 1.13 -0.11 0.00 -2.02 0.00 0.00 58.31 57.42 1rw0 n LYS 13 Cb 0.52 -1.66 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1rw0 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rw0 n GLY 14 N -1.18 3.20 3.32 0.72 0.00 -1.26 -4.90 105.19 105.09 1rw0 n GLY 14 Ca 0.01 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1rw0 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rw0 s VAL 15 N -1.63 1.85 0.00 1.61 1.01 -1.05 -0.78 120.40 121.42 1rw0 s VAL 15 Ca 0.28 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 1rw0 s VAL 15 Cb 0.23 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1rw0 s VAL 15 CO 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.12 1rw0 s ALA 16 N -1.23 -0.02 0.11 5.51 0.00 -0.75 -4.87 121.76 120.52 1rw0 s ALA 16 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1rw0 s ALA 16 Cb -0.10 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1rw0 s ALA 16 CO 0.05 -0.11 0.32 0.00 0.00 0.00 0.00 175.76 176.02 1rw0 s ALA 17 N -0.86 -0.66 0.08 0.00 0.00 -1.26 -1.59 121.76 117.48 1rw0 s ALA 17 Ca -0.09 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.34 1rw0 s ALA 17 Cb -0.06 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.75 1rw0 s ALA 17 CO -0.00 -0.59 0.81 0.00 0.00 0.00 0.00 175.76 175.98 1rw0 s SER 19 N -2.64 0.13 0.42 0.00 0.15 0.26 -0.35 113.70 111.66 1rw0 s SER 19 Ca 0.05 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1rw0 s SER 19 Cb -0.01 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1rw0 s SER 19 CO -0.08 -0.18 0.62 -0.94 1.20 0.00 0.00 173.24 173.86 1rw0 s SER 20 N -0.86 5.84 0.47 5.45 1.04 -0.11 0.59 113.70 126.13 1rw0 s SER 20 Ca -0.09 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1rw0 s SER 20 Cb -0.06 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.63 1rw0 s SER 20 CO -0.00 -0.65 0.07 0.42 0.98 0.00 0.00 173.24 174.06 1rw0 s THR 21 N -2.46 0.81 -2.23 2.02 -4.23 -0.92 -4.60 115.64 104.04 1rw0 s THR 21 Ca 0.48 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.23 1rw0 s THR 21 Cb -0.10 -2.18 0.58 0.00 1.34 0.00 0.00 72.50 72.13 1rw0 s THR 21 CO 0.36 0.00 1.76 -2.11 -0.54 0.00 0.00 174.62 174.09 1rw0 n ARG 22 N -1.13 1.42 -3.42 3.99 1.85 0.26 -4.67 116.66 114.97 1rw0 n ARG 22 Ca -0.14 -0.63 -0.36 0.00 -1.00 0.00 0.00 57.85 55.72 1rw0 n ARG 22 Cb 0.66 -1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 30.60 1rw0 n ARG 22 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1rw0 s ILE 23 N -1.93 4.92 0.00 8.89 1.01 -1.26 -1.44 121.20 131.39 1rw0 s ILE 23 Ca 0.36 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1rw0 s ILE 23 Cb 0.18 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1rw0 s ILE 23 CO 0.29 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1rw0 n GLY 24 N 1.23 0.76 0.00 6.18 0.00 -1.26 -3.78 105.19 108.33 1rw0 n GLY 24 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rw0 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw0 n GLY 25 N -2.45 1.29 0.00 -0.02 0.00 -1.26 -4.77 105.19 97.99 1rw0 n GLY 25 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1rw0 n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rw0 n VAL 26 N -0.50 0.00 -2.10 1.61 3.14 -1.26 -4.61 118.33 114.61 1rw0 n VAL 26 Ca 0.00 -0.45 -0.35 0.00 -2.96 0.00 0.00 64.34 60.58 1rw0 n VAL 26 Cb 0.00 1.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.83 1rw0 n VAL 26 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1rw0 s SER 27 N -0.65 5.42 0.21 6.55 0.01 -1.24 -4.68 113.70 119.32 1rw0 s SER 27 Ca 0.00 2.25 -0.04 0.00 1.31 0.00 0.00 55.95 59.47 1rw0 s SER 27 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1rw0 s SER 27 CO 0.00 -1.43 0.44 -0.76 0.41 0.00 0.00 173.24 171.90 1rw0 s LEU 28 N -4.04 4.19 0.40 2.44 1.43 -1.26 0.15 118.68 121.99 1rw0 s LEU 28 Ca 0.74 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 1rw0 s LEU 28 Cb -0.26 -3.36 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 1rw0 s LEU 28 CO 0.31 -0.05 0.83 -0.24 0.23 0.00 0.00 176.35 177.43 1rw0 n SER 29 N -0.42 0.44 0.00 2.29 2.88 -1.26 -0.81 113.62 116.74 1rw0 n SER 29 Ca -0.03 1.01 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 1rw0 n SER 29 Cb 0.53 -1.25 0.70 0.00 -0.75 0.00 0.00 64.21 63.44 1rw0 n SER 29 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1rw0 n PRO 30 N 0.36 0.84 -0.67 -1.46 -0.02 -1.26 -4.74 135.00 128.06 1rw0 n PRO 30 Ca 0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1rw0 n PRO 30 Cb 0.38 -1.44 0.35 0.00 -0.02 0.00 0.00 33.50 32.78 1rw0 n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rw0 n TYR 31 N -0.94 1.57 -1.38 6.00 4.02 0.01 -3.96 117.16 122.48 1rw0 n TYR 31 Ca 0.18 -0.69 -0.58 0.00 -0.01 0.00 0.00 57.90 56.79 1rw0 n TYR 31 Cb 0.08 -0.34 -0.10 0.00 -0.02 0.00 0.00 39.34 38.96 1rw0 n TYR 31 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1rw0 n ASP 32 N 0.65 0.91 0.00 7.72 5.75 -1.01 -4.16 116.55 126.41 1rw0 n ASP 32 Ca 0.25 0.87 0.00 0.00 -0.01 0.00 0.00 54.79 55.91 1rw0 n ASP 32 Cb 0.98 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1rw0 n ASP 32 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1rw0 n SER 33 N 5.01 0.00 -3.21 -1.12 2.88 0.40 -4.80 113.62 112.78 1rw0 n SER 33 Ca 0.38 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.72 1rw0 n SER 33 Cb -0.05 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 1rw0 n SER 33 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1rw0 n LEU 34 N 0.00 1.38 -4.66 2.46 7.94 -0.52 -3.64 117.00 119.96 1rw0 n LEU 34 Ca 0.00 -1.59 -0.42 0.00 -1.11 0.00 0.00 56.01 52.89 1rw0 n LEU 34 Cb 0.00 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 1rw0 n LEU 34 CO 0.00 -1.09 0.73 0.21 -1.11 0.00 0.00 177.39 176.14 1rw0 s ASN 35 N 5.29 7.01 0.00 1.96 3.04 -1.26 -4.66 114.94 126.32 1rw0 s ASN 35 Ca 0.29 1.25 0.22 0.00 0.04 0.00 0.00 52.86 54.67 1rw0 s ASN 35 Cb 0.07 -2.49 -0.05 0.00 -1.54 0.00 0.00 41.25 37.24 1rw0 s ASN 35 CO 0.10 -0.51 1.04 0.18 -3.04 0.00 0.00 177.10 174.86 1rw0 n LEU 36 N 5.69 1.18 -4.68 3.21 4.77 -0.80 -4.55 117.00 121.82 1rw0 n LEU 36 Ca 0.07 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1rw0 n LEU 36 Cb 0.48 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1rw0 n LEU 36 CO 0.50 0.26 0.63 -0.83 -1.33 0.00 0.00 177.39 176.62 1rw0 s GLY 37 N -2.86 2.24 0.00 -0.72 0.00 -1.26 -4.94 107.32 99.79 1rw0 s GLY 37 Ca 0.11 0.14 0.28 0.00 0.00 0.00 0.00 44.72 45.26 1rw0 s GLY 37 CO 0.77 1.68 1.80 0.00 0.00 0.00 0.00 173.10 177.34 1rw0 n ALA 38 N 4.99 2.67 -2.17 3.20 0.00 -1.26 -4.25 120.51 123.68 1rw0 n ALA 38 Ca 0.05 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 1rw0 n ALA 38 Cb 0.49 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.78 1rw0 n ALA 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rw0 n HIS 39 N -0.17 1.70 -0.65 0.00 8.25 -1.26 -4.73 115.22 118.35 1rw0 n HIS 39 Ca 0.19 -1.94 0.03 0.00 -0.26 0.00 0.00 57.72 55.74 1rw0 n HIS 39 Cb 0.31 -0.28 0.04 0.00 1.12 0.00 0.00 29.99 31.18 1rw0 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rw0 n GLY 41 N -0.66 0.85 3.91 0.00 0.00 -1.26 -4.67 105.19 103.37 1rw0 n GLY 41 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1rw0 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rw0 s ASP 42 N -2.15 5.02 -0.08 1.61 2.15 -1.26 -4.99 116.67 116.96 1rw0 s ASP 42 Ca 0.00 0.70 -0.30 0.00 0.43 0.00 0.00 52.55 53.38 1rw0 s ASP 42 Cb 0.00 -1.41 -0.05 0.00 -0.30 0.00 0.00 42.92 41.16 1rw0 s ASP 42 CO 0.00 -1.51 1.62 0.21 -0.17 0.00 0.00 175.17 175.32 1rw0 s ASN 43 N -4.46 6.65 0.45 -0.34 3.84 -1.26 -4.90 114.94 114.92 1rw0 s ASN 43 Ca 0.59 2.12 0.16 0.00 0.21 0.00 0.00 52.86 55.94 1rw0 s ASN 43 Cb -0.11 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.16 1rw0 s ASN 43 CO 0.47 -0.95 1.97 1.55 -2.79 0.00 0.00 177.10 177.35 1rw0 h PRO 44 N 9.59 0.32 -0.13 0.43 0.13 -1.94 -1.31 132.00 139.09 1rw0 h PRO 44 Ca -0.38 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 1rw0 h PRO 44 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1rw0 h PRO 44 CO 0.96 0.21 -0.54 0.93 -0.23 0.00 0.00 178.00 179.34 1rw0 h GLU 45 N 0.33 0.37 -0.31 0.86 5.08 -2.00 -2.32 114.58 116.59 1rw0 h GLU 45 Ca 0.28 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1rw0 h GLU 45 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1rw0 h GLU 45 CO -0.07 0.82 -0.05 0.45 -1.00 0.00 0.00 179.01 179.15 1rw0 h HIS 46 N 0.29 0.65 -0.66 4.33 3.86 -1.65 -2.31 115.15 119.66 1rw0 h HIS 46 Ca 0.01 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1rw0 h HIS 46 Cb 1.03 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.30 1rw0 h HIS 46 CO 0.03 0.75 0.39 0.28 0.86 0.00 0.00 177.93 180.24 1rw0 h VAL 47 N 0.36 1.03 -0.71 2.45 2.07 -1.31 0.01 116.25 120.16 1rw0 h VAL 47 Ca 0.08 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1rw0 h VAL 47 Cb 0.53 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1rw0 h VAL 47 CO 0.03 0.14 0.46 -0.33 0.02 0.00 0.00 177.57 177.88 1rw0 h GLU 48 N 0.74 0.91 -0.45 1.57 5.08 -1.30 -0.80 114.58 120.33 1rw0 h GLU 48 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1rw0 h GLU 48 Cb 0.10 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1rw0 h GLU 48 CO -0.14 0.60 0.25 1.49 -1.00 0.00 0.00 179.01 180.21 1rw0 h GLU 49 N 0.93 0.63 -0.70 2.33 4.57 -0.75 -1.98 114.58 119.61 1rw0 h GLU 49 Ca 0.27 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1rw0 h GLU 49 Cb -0.07 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1rw0 h GLU 49 CO -0.07 0.49 0.27 -0.91 -1.18 0.00 0.00 179.01 177.61 1rw0 h ASN 50 N 0.59 0.98 -0.65 1.04 2.35 -0.61 -2.02 115.58 117.26 1rw0 h ASN 50 Ca 0.16 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1rw0 h ASN 50 Cb 0.05 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1rw0 h ASN 50 CO -0.03 0.89 0.22 0.03 -1.65 0.00 0.00 177.43 176.90 1rw0 h ARG 51 N 1.01 0.99 -0.42 0.81 3.08 -0.95 -0.78 114.38 118.13 1rw0 h ARG 51 Ca 0.23 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1rw0 h ARG 51 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1rw0 h ARG 51 CO -0.02 0.86 -0.03 0.87 -1.07 0.00 0.00 179.97 180.58 1rw0 h LYS 52 N 0.92 0.69 0.23 0.04 1.57 -1.13 -0.11 116.57 118.78 1rw0 h LYS 52 Ca 0.21 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1rw0 h LYS 52 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1rw0 h LYS 52 CO -0.01 0.72 -0.11 0.00 -0.57 0.00 0.00 179.45 179.48 1rw0 h ARG 53 N 0.64 -0.30 -0.78 3.15 3.08 -1.02 -2.57 114.38 116.59 1rw0 h ARG 53 Ca 0.13 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1rw0 h ARG 53 Cb 0.44 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1rw0 h ARG 53 CO 0.02 0.01 0.44 1.25 -1.07 0.00 0.00 179.97 180.62 1rw0 h LEU 54 N -0.62 0.96 -0.94 3.04 5.85 -1.04 0.49 115.31 123.04 1rw0 h LEU 54 Ca -0.03 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1rw0 h LEU 54 Cb 0.45 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1rw0 h LEU 54 CO 0.05 0.77 0.60 -0.26 -0.34 0.00 0.00 178.44 179.26 1rw0 h PHE 55 N 1.07 1.20 -0.20 1.25 0.05 -1.04 0.13 116.94 119.41 1rw0 h PHE 55 Ca 0.28 0.01 -0.20 0.00 3.82 0.00 0.00 57.97 61.88 1rw0 h PHE 55 Cb 0.01 -0.40 0.01 0.00 2.00 0.00 0.00 35.95 37.56 1rw0 h PHE 55 CO -0.00 0.78 -0.67 0.00 -0.18 0.00 0.00 178.31 178.23 1rw0 h ALA 56 N 1.33 0.35 -0.72 2.45 0.00 -1.11 -0.84 119.26 120.72 1rw0 h ALA 56 Ca 0.34 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rw0 h ALA 56 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1rw0 h ALA 56 CO -0.07 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.16 1rw0 h ALA 57 N 0.59 0.93 -0.08 0.00 0.00 -0.41 -2.17 119.26 118.12 1rw0 h ALA 57 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rw0 h ALA 57 Cb 1.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1rw0 h ALA 57 CO 0.14 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1rw0 n GLY 58 N -0.94 -0.08 3.80 0.00 0.00 0.41 -4.93 105.19 103.45 1rw0 n GLY 58 Ca 0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1rw0 n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rw0 n ASN 59 N 0.02 -4.86 -4.76 1.61 3.02 -0.82 -4.91 115.26 104.56 1rw0 n ASN 59 Ca 0.17 -0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 53.60 1rw0 n ASN 59 Cb 0.28 -4.26 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 1rw0 n ASN 59 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rw0 s LEU 60 N -7.22 4.36 0.38 3.41 1.43 -0.38 -4.89 118.68 115.78 1rw0 s LEU 60 Ca 0.57 2.87 0.20 0.00 -1.03 0.00 0.00 54.13 56.74 1rw0 s LEU 60 Cb -0.27 -3.65 0.57 0.00 0.03 0.00 0.00 46.19 42.87 1rw0 s LEU 60 CO 0.80 -0.79 1.67 1.55 0.23 0.00 0.00 176.35 179.82 1rw0 h PRO 61 N 4.02 0.00 -3.34 1.29 0.13 -1.90 -3.47 132.00 128.73 1rw0 h PRO 61 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rw0 h PRO 61 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1rw0 h PRO 61 CO 0.71 0.33 0.04 -1.54 -0.23 0.00 0.00 178.00 177.31 1rw0 s SER 62 N -6.32 -0.19 0.40 1.44 1.04 -1.26 -5.07 113.70 103.74 1rw0 s SER 62 Ca 0.02 -0.73 -0.26 0.00 0.48 0.00 0.00 55.95 55.46 1rw0 s SER 62 Cb 0.09 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.76 1rw0 s SER 62 CO 0.68 -1.20 1.29 -0.54 0.98 0.00 0.00 173.24 174.45 1rw0 s LYS 63 N -3.95 4.02 0.53 4.02 1.02 -1.26 -4.77 119.74 119.35 1rw0 s LYS 63 Ca 0.16 2.14 -0.21 0.00 0.02 0.00 0.00 55.97 58.08 1rw0 s LYS 63 Cb -0.03 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 1rw0 s LYS 63 CO 0.06 -0.44 1.20 -1.25 -0.92 0.00 0.00 175.35 174.00 1rw0 s PRO 64 N -2.19 3.35 -1.25 -1.68 0.04 -1.26 -4.58 135.00 127.43 1rw0 s PRO 64 Ca 0.56 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 1rw0 s PRO 64 Cb -0.38 -2.16 0.13 0.00 0.04 0.00 0.00 34.50 32.13 1rw0 s PRO 64 CO 0.49 -0.91 1.56 0.08 0.04 0.00 0.00 177.00 178.26 1rw0 s VAL 65 N -1.56 4.67 0.35 -0.36 1.01 -0.90 -4.98 120.40 118.62 1rw0 s VAL 65 Ca 0.71 -2.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 1rw0 s VAL 65 Cb -0.30 -5.03 -0.12 0.00 0.00 0.00 0.00 36.38 30.93 1rw0 s VAL 65 CO 0.35 -1.79 1.35 0.79 0.00 0.00 0.00 175.10 175.80 1rw0 n TRP 66 N 6.74 2.47 -4.07 5.22 7.02 -1.26 -4.55 117.44 129.01 1rw0 n TRP 66 Ca 0.42 0.51 -0.22 0.00 -1.02 0.00 0.00 57.50 57.19 1rw0 n TRP 66 Cb 0.44 -2.45 -0.05 0.00 -2.42 0.00 0.00 31.31 26.83 1rw0 n TRP 66 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rw0 s LEU 67 N -1.23 3.69 -0.96 -0.99 1.43 -1.26 -5.01 118.68 114.35 1rw0 s LEU 67 Ca 0.56 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1rw0 s LEU 67 Cb -0.55 -2.23 0.17 0.00 0.03 0.00 0.00 46.19 43.61 1rw0 s LEU 67 CO 0.62 -0.10 1.08 -1.61 0.23 0.00 0.00 176.35 176.56 1rw0 s GLU 68 N -3.86 3.73 0.05 1.70 2.02 0.18 -4.95 118.70 117.58 1rw0 s GLU 68 Ca 0.34 -2.21 -0.31 0.00 0.02 0.00 0.00 54.97 52.82 1rw0 s GLU 68 Cb -0.07 -4.78 -0.06 0.00 0.10 0.00 0.00 34.13 29.32 1rw0 s GLU 68 CO 0.25 -1.60 1.26 -0.65 0.02 0.00 0.00 175.26 174.54 1rw0 s GLN 69 N 1.50 4.39 -0.08 1.61 -0.21 -1.23 -2.24 119.66 123.40 1rw0 s GLN 69 Ca 0.30 1.84 0.12 0.00 0.02 0.00 0.00 55.36 57.64 1rw0 s GLN 69 Cb -0.06 -3.37 0.21 0.00 1.00 0.00 0.00 33.01 30.79 1rw0 s GLN 69 CO -0.08 -0.34 1.11 1.33 -2.12 0.00 0.00 175.29 175.18 1rw0 n VAL 70 N 4.08 1.04 -2.82 1.09 0.24 -1.26 -4.99 118.33 115.71 1rw0 n VAL 70 Ca 0.10 -1.42 -0.21 0.00 -2.04 0.00 0.00 64.34 60.76 1rw0 n VAL 70 Cb 0.45 0.16 0.02 0.00 -1.47 0.00 0.00 33.84 32.99 1rw0 n VAL 70 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1rw0 n HIS 71 N -0.68 -1.62 -2.23 6.34 8.25 -1.26 -4.98 115.22 119.03 1rw0 n HIS 71 Ca 0.09 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1rw0 n HIS 71 Cb 0.72 -4.11 0.00 0.00 1.12 0.00 0.00 29.99 27.72 1rw0 n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rw0 n GLY 72 N -1.30 3.67 0.09 -1.41 0.00 -1.26 -3.36 105.19 101.63 1rw0 n GLY 72 Ca -0.15 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 43.91 1rw0 n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rw0 n LYS 73 N 0.00 1.51 -2.85 1.61 2.85 -1.26 -4.58 118.16 115.44 1rw0 n LYS 73 Ca 0.00 -2.09 -0.40 0.00 -1.05 0.00 0.00 58.31 54.76 1rw0 n LYS 73 Cb 0.00 -1.25 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 1rw0 n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1rw0 s ASN 74 N -2.15 7.40 -0.10 -5.58 0.01 -1.26 -4.65 114.94 108.62 1rw0 s ASN 74 Ca 0.20 1.67 -0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1rw0 s ASN 74 Cb 0.18 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1rw0 s ASN 74 CO 0.02 0.02 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.86 1rw0 s VAL 75 N -0.29 3.59 -0.27 1.60 1.01 -1.26 -0.68 120.40 124.10 1rw0 s VAL 75 Ca 0.42 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1rw0 s VAL 75 Cb -0.23 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1rw0 s VAL 75 CO 0.27 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 175.85 1rw0 s LEU 76 N -0.34 3.76 -0.39 3.92 2.96 0.41 -4.95 118.68 124.05 1rw0 s LEU 76 Ca 0.05 -0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.56 1rw0 s LEU 76 Cb -0.12 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1rw0 s LEU 76 CO 0.02 -0.05 1.04 -0.13 -1.32 0.00 0.00 176.35 175.92 1rw0 s ARG 77 N 1.69 3.87 -1.07 1.98 0.52 -1.26 -0.61 118.95 124.08 1rw0 s ARG 77 Ca 0.07 0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 55.79 1rw0 s ARG 77 Cb -0.16 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.49 1rw0 s ARG 77 CO 0.07 -1.07 1.76 -0.51 0.02 0.00 0.00 175.30 175.57 1rw0 s LEU 78 N 3.85 3.36 0.00 2.53 1.43 0.45 -4.72 118.68 125.59 1rw0 s LEU 78 Ca 0.44 -1.44 0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1rw0 s LEU 78 Cb -0.10 -2.57 -0.15 0.00 0.03 0.00 0.00 46.19 43.39 1rw0 s LEU 78 CO 0.22 -2.16 0.92 0.35 0.23 0.00 0.00 176.35 175.91 1rw0 n THR 79 N 7.30 0.01 0.00 5.49 -2.24 -1.26 -4.78 114.28 118.80 1rw0 n THR 79 Ca 0.41 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1rw0 n THR 79 Cb 0.48 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1rw0 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rw0 n GLY 80 N 1.47 3.30 0.02 3.38 0.00 -1.26 -5.02 105.19 107.08 1rw0 n GLY 80 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1rw0 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rw0 n GLU 81 N 0.00 -0.00 -2.21 1.61 1.02 -1.26 -3.74 120.64 116.05 1rw0 n GLU 81 Ca 0.00 0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 1rw0 n GLU 81 Cb 0.00 -0.12 -0.04 0.00 -0.02 0.00 0.00 31.44 31.26 1rw0 n GLU 81 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1rw0 s PRO 82 N -4.85 2.89 0.08 3.49 0.02 -1.26 -4.96 135.00 130.41 1rw0 s PRO 82 Ca -0.01 -0.61 0.02 0.00 0.02 0.00 0.00 61.00 60.42 1rw0 s PRO 82 Cb 0.01 -5.17 -0.04 0.00 0.02 0.00 0.00 34.50 29.33 1rw0 s PRO 82 CO 0.04 -3.03 0.16 0.71 -0.33 0.00 0.00 177.00 174.55 1rw0 s TYR 83 N 8.47 3.37 -0.65 6.54 1.51 -1.25 -5.00 117.35 130.35 1rw0 s TYR 83 Ca 0.62 0.15 0.25 0.00 -1.01 0.00 0.00 57.07 57.09 1rw0 s TYR 83 Cb -0.04 -1.68 0.60 0.00 -0.11 0.00 0.00 41.96 40.73 1rw0 s TYR 83 CO -0.03 0.55 1.62 0.00 -1.11 0.00 0.00 175.55 176.58 1rw0 h ALA 84 N 3.03 0.88 -1.09 3.71 0.00 -1.94 -3.46 119.26 120.39 1rw0 h ALA 84 Ca -0.46 0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.64 1rw0 h ALA 84 Cb 1.17 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.63 1rw0 h ALA 84 CO 0.71 0.00 0.82 0.45 0.00 0.00 0.00 179.25 181.22 1rw0 s SER 85 N -4.75 -0.07 -0.19 0.00 0.15 -1.26 -5.03 113.70 102.54 1rw0 s SER 85 Ca 0.09 0.13 0.16 0.00 0.70 0.00 0.00 55.95 57.03 1rw0 s SER 85 Cb 0.11 0.47 0.57 0.00 -1.71 0.00 0.00 66.02 65.47 1rw0 s SER 85 CO 0.64 -0.02 1.47 0.29 1.20 0.00 0.00 173.24 176.82 1rw0 n LYS 86 N 2.18 3.18 -2.44 5.44 5.02 -1.26 -4.90 118.16 125.37 1rw0 n LYS 86 Ca -0.13 -2.89 -0.38 0.00 -2.02 0.00 0.00 58.31 52.88 1rw0 n LYS 86 Cb 0.57 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1rw0 n LYS 86 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1rw0 s ARG 87 N -2.83 3.44 0.24 1.97 3.52 -1.26 0.48 118.95 124.51 1rw0 s ARG 87 Ca 0.44 -1.27 -0.15 0.00 -0.13 0.00 0.00 55.73 54.62 1rw0 s ARG 87 Cb 0.35 -5.36 0.01 0.00 -1.56 0.00 0.00 34.95 28.39 1rw0 s ARG 87 CO 0.10 -2.58 0.53 0.00 -0.81 0.00 0.00 175.30 172.54 1rw0 s ALA 88 N 6.13 -0.56 -0.00 6.12 0.00 -0.95 -4.89 121.76 127.61 1rw0 s ALA 88 Ca 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1rw0 s ALA 88 Cb 0.00 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1rw0 s ALA 88 CO -0.01 -0.88 0.99 -0.25 0.00 0.00 0.00 175.76 175.61 1rw0 n ASP 89 N -0.39 1.96 -3.50 0.00 8.00 0.14 -3.50 116.55 119.27 1rw0 n ASP 89 Ca -0.04 -1.99 -0.15 0.00 0.71 0.00 0.00 54.79 53.33 1rw0 n ASP 89 Cb 0.61 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1rw0 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rw0 s ALA 90 N -0.99 -1.59 0.04 2.24 0.00 -1.14 0.50 121.76 120.82 1rw0 s ALA 90 Ca 0.00 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1rw0 s ALA 90 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1rw0 s ALA 90 CO 0.00 -0.56 -0.05 -1.54 0.00 0.00 0.00 175.76 173.61 1rw0 s SER 91 N -2.00 0.59 0.02 0.00 1.04 -0.56 -0.45 113.70 112.34 1rw0 s SER 91 Ca -0.05 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1rw0 s SER 91 Cb -0.01 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1rw0 s SER 91 CO -0.02 -0.35 -0.12 -0.47 0.98 0.00 0.00 173.24 173.25 1rw0 s TYR 92 N -2.22 1.09 -0.04 5.02 5.04 0.22 -1.95 117.35 124.52 1rw0 s TYR 92 Ca -0.06 -0.31 -0.09 0.00 -2.44 0.00 0.00 57.07 54.18 1rw0 s TYR 92 Cb -0.04 -0.66 0.01 0.00 0.35 0.00 0.00 41.96 41.62 1rw0 s TYR 92 CO -0.03 0.01 0.20 0.45 -1.34 0.00 0.00 175.55 174.84 1rw0 s SER 93 N -0.87 -0.12 -0.02 4.32 0.15 -0.45 -0.41 113.70 116.30 1rw0 s SER 93 Ca 0.02 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.81 1rw0 s SER 93 Cb -0.07 0.32 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1rw0 s SER 93 CO 0.01 -0.26 0.87 -0.46 1.20 0.00 0.00 173.24 174.60 1rw0 n ASN 94 N 2.04 0.67 -4.37 5.45 0.23 -1.26 -1.12 115.26 116.91 1rw0 n ASN 94 Ca -0.18 -1.89 -0.35 0.00 -0.53 0.00 0.00 54.58 51.63 1rw0 n ASN 94 Cb 0.57 -0.15 -0.13 0.00 -2.08 0.00 0.00 39.78 37.98 1rw0 n ASN 94 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1rw0 s THR 95 N -0.63 3.58 0.36 5.53 2.01 -1.26 -4.93 115.64 120.30 1rw0 s THR 95 Ca 0.06 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1rw0 s THR 95 Cb 0.05 -2.62 -0.12 0.00 0.01 0.00 0.00 72.50 69.82 1rw0 s THR 95 CO 0.01 0.43 1.26 -2.65 -0.69 0.00 0.00 174.62 172.97 1rw0 n PRO 96 N 4.52 2.01 0.00 4.92 -0.02 -1.26 -2.43 135.00 142.74 1rw0 n PRO 96 Ca -0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1rw0 n PRO 96 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1rw0 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw0 n GLY 97 N 0.82 2.80 3.71 -1.23 0.00 0.60 -4.97 105.19 106.92 1rw0 n GLY 97 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1rw0 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rw0 s THR 98 N -2.06 4.95 -0.26 2.61 2.01 -1.02 -4.11 115.64 117.76 1rw0 s THR 98 Ca 0.00 1.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.71 1rw0 s THR 98 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1rw0 s THR 98 CO 0.00 0.20 0.11 -0.69 -0.69 0.00 0.00 174.62 173.55 1rw0 s VAL 99 N 0.93 4.69 0.10 3.82 1.01 -1.26 -4.18 120.40 125.51 1rw0 s VAL 99 Ca 0.46 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1rw0 s VAL 99 Cb -0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1rw0 s VAL 99 CO 0.24 0.31 0.58 0.00 0.00 0.00 0.00 175.10 176.23 1rw0 s ALA 101 N -1.22 -1.44 0.02 0.00 0.00 -1.26 -1.66 121.76 116.20 1rw0 s ALA 101 Ca 0.32 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1rw0 s ALA 101 Cb -0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1rw0 s ALA 101 CO 0.19 -0.32 -0.07 0.14 0.00 0.00 0.00 175.76 175.70 1rw0 s VAL 102 N -1.00 0.52 -0.14 0.00 -7.23 -0.93 -4.59 120.40 107.03 1rw0 s VAL 102 Ca -0.10 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1rw0 s VAL 102 Cb -0.02 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1rw0 s VAL 102 CO 0.07 -0.08 0.00 -0.32 -0.31 0.00 0.00 175.10 174.46 1rw0 s MET 103 N -0.76 3.52 0.20 4.82 1.75 -1.26 -1.70 119.30 125.87 1rw0 s MET 103 Ca -0.03 -0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 53.91 1rw0 s MET 103 Cb -0.06 -2.95 -0.02 0.00 2.84 0.00 0.00 34.83 34.65 1rw0 s MET 103 CO 0.00 0.41 0.27 0.95 -0.65 0.00 0.00 175.02 176.00 1rw0 s THR 104 N -0.06 0.03 -0.38 10.11 -4.23 -0.22 -4.98 115.64 115.90 1rw0 s THR 104 Ca 0.03 -1.64 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1rw0 s THR 104 Cb -0.13 -2.19 0.31 0.00 1.34 0.00 0.00 72.50 71.84 1rw0 s THR 104 CO 0.02 -0.12 1.28 0.00 -0.54 0.00 0.00 174.62 175.26 1rw0 n ALA 105 N -0.28 0.27 0.00 3.99 0.00 -1.26 -0.18 120.51 123.06 1rw0 n ALA 105 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1rw0 n ALA 105 Cb 0.64 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1rw0 n ALA 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rw0 n ASP 106 N -0.51 0.00 -4.73 0.00 8.00 -1.26 -0.93 116.55 117.12 1rw0 n ASP 106 Ca -0.08 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.07 1rw0 n ASP 106 Cb 0.80 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.97 1rw0 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rw0 s LEU 108 N -4.70 4.11 -0.14 0.00 2.96 -1.04 -4.64 118.68 115.23 1rw0 s LEU 108 Ca 0.77 1.43 -0.13 0.00 -0.22 0.00 0.00 54.13 55.98 1rw0 s LEU 108 Cb -0.32 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 1rw0 s LEU 108 CO 0.41 -0.68 0.29 -2.16 -1.32 0.00 0.00 176.35 172.89 1rw0 s PRO 109 N 3.25 4.14 -0.09 0.98 0.04 -1.26 -0.22 135.00 141.84 1rw0 s PRO 109 Ca 0.46 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1rw0 s PRO 109 Cb -0.16 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1rw0 s PRO 109 CO 0.07 0.34 -0.16 0.08 0.04 0.00 0.00 177.00 177.37 1rw0 s VAL 110 N 0.15 1.49 -0.02 -0.36 1.01 -0.31 -0.46 120.40 121.90 1rw0 s VAL 110 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1rw0 s VAL 110 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1rw0 s VAL 110 CO 0.05 0.44 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 1rw0 s LEU 111 N 0.70 3.46 0.12 3.92 1.43 -0.81 0.11 118.68 127.60 1rw0 s LEU 111 Ca -0.13 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1rw0 s LEU 111 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1rw0 s LEU 111 CO 0.03 0.31 -0.10 -0.36 0.23 0.00 0.00 176.35 176.46 1rw0 s PHE 112 N -1.01 1.18 -0.17 0.29 0.08 0.15 -1.07 117.98 117.43 1rw0 s PHE 112 Ca 0.17 -0.71 -0.31 0.00 0.12 0.00 0.00 56.93 56.20 1rw0 s PHE 112 Cb -0.11 -0.62 0.14 0.00 -0.57 0.00 0.00 43.02 41.85 1rw0 s PHE 112 CO 0.08 0.04 1.08 0.00 -0.10 0.00 0.00 175.22 176.32 1rw0 s ASN 114 N -1.45 6.03 0.50 0.00 4.22 -1.01 -0.98 114.94 122.25 1rw0 s ASN 114 Ca 0.03 0.46 0.14 0.00 -2.14 0.00 0.00 52.86 51.35 1rw0 s ASN 114 Cb -0.01 -1.81 1.19 0.00 1.28 0.00 0.00 41.25 41.90 1rw0 s ASN 114 CO -0.03 -0.57 2.13 0.03 -2.04 0.00 0.00 177.10 176.62 1rw0 h ARG 115 N 0.45 0.10 0.00 3.55 3.08 -1.47 -0.97 114.38 119.12 1rw0 h ARG 115 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1rw0 h ARG 115 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1rw0 h ARG 115 CO 0.59 0.07 0.00 0.39 -1.07 0.00 0.00 179.97 179.95 1rw0 n GLU 116 N -4.52 0.02 -3.24 0.04 -0.58 -1.26 -4.74 120.64 106.35 1rw0 n GLU 116 Ca -0.02 0.11 -0.16 0.00 -0.42 0.00 0.00 57.16 56.67 1rw0 n GLU 116 Cb 0.09 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.53 1rw0 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rw0 n GLY 117 N 0.84 -0.23 0.00 0.62 0.00 -0.37 -4.89 105.19 101.16 1rw0 n GLY 117 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1rw0 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rw0 n THR 118 N -3.88 0.00 -3.82 2.61 -2.24 -1.26 -4.70 114.28 100.99 1rw0 n THR 118 Ca -0.16 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1rw0 n THR 118 Cb 0.61 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1rw0 n THR 118 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rw0 s GLU 119 N -0.42 0.16 0.14 -0.78 2.02 -1.26 -4.57 118.70 113.98 1rw0 s GLU 119 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1rw0 s GLU 119 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 1rw0 s GLU 119 CO 0.00 -0.02 0.02 0.14 0.02 0.00 0.00 175.26 175.42 1rw0 s VAL 120 N 0.09 0.38 -0.01 2.63 -7.23 -0.28 -2.40 120.40 113.59 1rw0 s VAL 120 Ca -0.00 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 57.96 1rw0 s VAL 120 Cb -0.01 -2.00 0.10 0.00 0.56 0.00 0.00 36.38 35.02 1rw0 s VAL 120 CO 0.00 -0.55 0.83 0.00 -0.31 0.00 0.00 175.10 175.07 1rw0 s ALA 121 N -3.85 -1.79 -0.01 1.32 0.00 -0.51 -1.35 121.76 115.56 1rw0 s ALA 121 Ca 0.22 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1rw0 s ALA 121 Cb 0.07 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1rw0 s ALA 121 CO 0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 175.76 175.14 1rw0 s ALA 122 N -2.65 0.37 -0.01 0.00 0.00 -0.82 0.34 121.76 118.99 1rw0 s ALA 122 Ca 0.01 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1rw0 s ALA 122 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1rw0 s ALA 122 CO -0.06 0.05 -0.16 0.00 0.00 0.00 0.00 175.76 175.59 1rw0 s ALA 123 N 0.21 1.32 -0.39 0.00 0.00 0.12 -1.50 121.76 121.52 1rw0 s ALA 123 Ca -0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1rw0 s ALA 123 Cb -0.05 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1rw0 s ALA 123 CO -0.00 0.32 0.35 -1.58 0.00 0.00 0.00 175.76 174.84 1rw0 s HIS 124 N -0.36 3.21 -0.66 0.00 5.65 0.18 -1.17 115.29 122.14 1rw0 s HIS 124 Ca 0.06 -0.33 0.05 0.00 0.25 0.00 0.00 55.06 55.09 1rw0 s HIS 124 Cb -0.06 -2.68 0.20 0.00 -1.18 0.00 0.00 32.58 28.86 1rw0 s HIS 124 CO -0.01 -0.55 0.58 0.00 -0.65 0.00 0.00 174.74 174.12 1rw0 n ALA 125 N 5.34 3.60 -1.26 1.58 0.00 0.69 -4.81 120.51 125.66 1rw0 n ALA 125 Ca -0.10 -4.52 -0.30 0.00 0.00 0.00 0.00 53.44 48.53 1rw0 n ALA 125 Cb 0.48 -0.96 0.22 0.00 0.00 0.00 0.00 19.45 19.19 1rw0 n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rw0 s GLY 126 N -1.75 1.61 0.24 0.00 0.00 -1.26 -2.50 107.32 103.66 1rw0 s GLY 126 Ca 0.31 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 1rw0 s GLY 126 CO -0.11 -0.09 1.87 0.11 0.00 0.00 0.00 173.10 174.87 1rw0 h TRP 127 N -2.30 1.05 0.04 1.90 5.08 -1.97 -1.20 115.95 118.54 1rw0 h TRP 127 Ca -0.46 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.54 1rw0 h TRP 127 Cb 1.29 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1rw0 h TRP 127 CO -1.61 0.56 -0.02 0.00 -1.28 0.00 0.00 178.44 176.09 1rw0 h ARG 128 N 1.05 -0.05 -0.56 0.12 3.08 -1.91 -0.26 114.38 115.86 1rw0 h ARG 128 Ca 0.38 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 1rw0 h ARG 128 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1rw0 h ARG 128 CO -0.16 0.05 0.10 0.78 -1.07 0.00 0.00 179.97 179.67 1rw0 h GLY 129 N -0.14 0.95 0.90 0.04 0.00 -1.52 -0.63 103.07 102.68 1rw0 h GLY 129 Ca -0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1rw0 h GLY 129 CO 0.01 0.55 0.05 -2.00 0.00 0.00 0.00 176.54 175.14 1rw0 h LEU 130 N 0.84 0.53 -0.84 3.11 5.85 -1.09 -1.03 115.31 122.68 1rw0 h LEU 130 Ca 0.18 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1rw0 h LEU 130 Cb 0.36 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1rw0 h LEU 130 CO 0.01 0.66 0.25 0.00 -0.34 0.00 0.00 178.44 179.02 1rw0 h GLU 132 N 1.08 0.00 0.00 0.00 4.39 -0.88 -3.48 114.58 115.69 1rw0 h GLU 132 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1rw0 h GLU 132 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1rw0 h GLU 132 CO -0.01 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 1rw0 n GLY 133 N 0.04 1.94 0.36 -3.84 0.00 -0.63 -4.97 105.19 98.09 1rw0 n GLY 133 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1rw0 n GLY 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rw0 h VAL 134 N 0.00 1.23 -0.34 1.61 3.04 -1.43 -0.41 116.25 119.96 1rw0 h VAL 134 Ca 0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.16 1rw0 h VAL 134 Cb 0.00 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.21 1rw0 h VAL 134 CO 0.00 0.23 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.61 1rw0 h LEU 135 N 1.21 0.68 -0.55 3.16 3.38 -1.87 -1.68 115.31 119.64 1rw0 h LEU 135 Ca 0.32 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1rw0 h LEU 135 Cb -0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1rw0 h LEU 135 CO -0.07 0.91 0.37 -0.33 0.09 0.00 0.00 178.44 179.41 1rw0 h GLU 136 N 0.45 0.73 -0.86 1.13 3.07 -1.77 -1.71 114.58 115.63 1rw0 h GLU 136 Ca 0.08 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1rw0 h GLU 136 Cb 0.62 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1rw0 h GLU 136 CO 0.04 0.48 0.43 0.93 -1.40 0.00 0.00 179.01 179.49 1rw0 h GLU 137 N 0.75 1.22 -0.44 2.33 4.39 -0.94 -2.25 114.58 119.65 1rw0 h GLU 137 Ca 0.20 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1rw0 h GLU 137 Cb -0.09 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.32 1rw0 h GLU 137 CO -0.04 0.93 0.18 1.15 -1.16 0.00 0.00 179.01 180.06 1rw0 h THR 138 N 1.22 1.20 -0.81 1.13 2.02 -0.89 -2.75 112.91 114.03 1rw0 h THR 138 Ca 0.30 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1rw0 h THR 138 Cb 0.10 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1rw0 h THR 138 CO -0.04 0.23 0.52 0.58 0.37 0.00 0.00 175.52 177.18 1rw0 h VAL 139 N 0.56 1.14 0.00 3.16 2.07 -1.07 -2.10 116.25 120.01 1rw0 h VAL 139 Ca 0.15 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rw0 h VAL 139 Cb 0.19 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1rw0 h VAL 139 CO -0.01 0.19 -0.02 0.71 0.02 0.00 0.00 177.57 178.45 1rw0 h THR 140 N 1.02 0.17 0.00 2.57 1.35 -1.11 -1.87 112.91 115.03 1rw0 h THR 140 Ca 0.32 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1rw0 h THR 140 Cb -0.01 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1rw0 h THR 140 CO -0.11 0.02 -0.01 0.00 -0.25 0.00 0.00 175.52 175.18 1rw0 s PHE 142 N -3.57 3.42 0.09 0.00 0.08 -0.71 -4.93 117.98 112.35 1rw0 s PHE 142 Ca 0.02 1.65 0.08 0.00 0.12 0.00 0.00 56.93 58.81 1rw0 s PHE 142 Cb 0.08 -3.29 -0.21 0.00 -0.57 0.00 0.00 43.02 39.04 1rw0 s PHE 142 CO 0.57 -0.74 1.19 0.00 -0.10 0.00 0.00 175.22 176.14 1rw0 h ALA 143 N 3.35 0.42 -2.34 5.36 0.00 -1.88 -3.46 119.26 120.71 1rw0 h ALA 143 Ca -0.47 -0.98 -0.50 0.00 0.00 0.00 0.00 54.91 52.96 1rw0 h ALA 143 Cb 1.22 -0.06 0.13 0.00 0.00 0.00 0.00 17.79 19.08 1rw0 h ALA 143 CO 0.65 1.28 0.30 0.34 0.00 0.00 0.00 179.25 181.83 1rw0 s ASP 144 N -6.61 4.23 0.37 0.00 -1.08 -1.26 -5.01 116.67 107.32 1rw0 s ASP 144 Ca 0.00 1.58 -0.25 0.00 -0.52 0.00 0.00 52.55 53.36 1rw0 s ASP 144 Cb 0.10 -2.30 -0.09 0.00 -1.46 0.00 0.00 42.92 39.16 1rw0 s ASP 144 CO 0.82 -2.17 1.02 -0.54 0.52 0.00 0.00 175.17 174.82 1rw0 s LYS 145 N -4.98 4.30 0.30 4.34 1.02 -1.26 -4.95 119.74 118.52 1rw0 s LYS 145 Ca 0.61 1.46 0.05 0.00 0.02 0.00 0.00 55.97 58.12 1rw0 s LYS 145 Cb -0.17 -2.63 0.78 0.00 -0.52 0.00 0.00 37.83 35.30 1rw0 s LYS 145 CO 0.56 -0.01 1.69 -1.35 -0.92 0.00 0.00 175.35 175.32 1rw0 h PRO 146 N 2.71 0.38 0.00 -1.68 0.11 -1.85 0.94 132.00 132.61 1rw0 h PRO 146 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1rw0 h PRO 146 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rw0 h PRO 146 CO 0.63 0.25 -0.00 1.05 -0.21 0.00 0.00 178.00 179.72 1rw0 h GLU 147 N 0.39 0.00 -0.46 1.05 4.11 -1.85 -0.57 114.58 117.25 1rw0 h GLU 147 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1rw0 h GLU 147 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1rw0 h GLU 147 CO -0.54 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.63 1rw0 n ASN 148 N -3.17 3.06 -4.59 3.06 3.02 0.32 -4.69 115.26 112.27 1rw0 n ASN 148 Ca -0.03 -1.95 -0.35 0.00 -0.03 0.00 0.00 54.58 52.22 1rw0 n ASN 148 Cb 0.09 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1rw0 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1rw0 s ILE 149 N -1.39 4.63 0.11 2.41 1.01 -0.22 -1.05 121.20 126.70 1rw0 s ILE 149 Ca 0.38 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.99 1rw0 s ILE 149 Cb 0.21 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1rw0 s ILE 149 CO 0.29 0.44 0.06 0.27 0.00 0.00 0.00 174.94 176.00 1rw0 s ILE 150 N 0.60 4.28 0.04 2.92 -4.36 -0.16 -4.38 121.20 120.14 1rw0 s ILE 150 Ca 0.03 -0.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.45 1rw0 s ILE 150 Cb -0.13 -3.10 -0.02 0.00 1.25 0.00 0.00 42.46 40.46 1rw0 s ILE 150 CO 0.01 0.04 -0.07 0.00 0.24 0.00 0.00 174.94 175.17 1rw0 s ALA 151 N -1.49 0.48 -0.13 2.27 0.00 -0.35 -2.45 121.76 120.09 1rw0 s ALA 151 Ca 0.28 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1rw0 s ALA 151 Cb -0.11 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1rw0 s ALA 151 CO 0.21 -0.04 -0.20 -0.46 0.00 0.00 0.00 175.76 175.27 1rw0 s TRP 152 N -1.31 2.44 -0.30 0.00 -0.11 -0.24 0.55 118.94 119.96 1rw0 s TRP 152 Ca -0.10 -1.19 -0.23 0.00 1.22 0.00 0.00 56.10 55.79 1rw0 s TRP 152 Cb -0.09 -1.68 -0.00 0.00 -1.50 0.00 0.00 33.47 30.19 1rw0 s TRP 152 CO 0.00 -0.56 0.76 -0.51 -4.62 0.00 0.00 176.95 172.02 1rw0 s LEU 153 N 0.84 4.10 0.83 5.86 1.43 0.18 -1.93 118.68 129.98 1rw0 s LEU 153 Ca -0.08 0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1rw0 s LEU 153 Cb -0.15 -3.03 0.13 0.00 0.03 0.00 0.00 46.19 43.17 1rw0 s LEU 153 CO -0.01 -0.58 1.16 -0.83 0.23 0.00 0.00 176.35 176.32 1rw0 s GLY 154 N 1.61 1.72 0.02 -3.19 0.00 0.40 -1.63 107.32 106.25 1rw0 s GLY 154 Ca 0.31 -1.12 -0.32 0.00 0.00 0.00 0.00 44.72 43.59 1rw0 s GLY 154 CO 0.12 -0.53 1.89 -1.05 0.00 0.00 0.00 173.10 173.54 1rw0 n PRO 155 N -3.31 2.57 -4.26 2.90 -0.02 -1.26 -4.55 135.00 127.07 1rw0 n PRO 155 Ca 0.12 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.35 1rw0 n PRO 155 Cb 0.60 -2.84 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 1rw0 n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rw0 s ALA 156 N 3.79 1.73 -0.11 3.55 0.00 -1.26 -4.60 121.76 124.87 1rw0 s ALA 156 Ca 0.88 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1rw0 s ALA 156 Cb -0.55 1.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1rw0 s ALA 156 CO 0.44 -0.68 1.26 -1.50 0.00 0.00 0.00 175.76 175.28 1rw0 s ILE 157 N -3.42 4.22 0.87 0.00 2.07 -0.40 -1.17 121.20 123.36 1rw0 s ILE 157 Ca 0.40 1.51 -0.12 0.00 -1.41 0.00 0.00 60.65 61.03 1rw0 s ILE 157 Cb 0.02 -3.97 0.11 0.00 0.13 0.00 0.00 42.46 38.75 1rw0 s ILE 157 CO 0.27 -0.07 1.10 -0.83 -1.91 0.00 0.00 174.94 173.49 1rw0 s GLY 158 N 1.80 1.61 0.18 1.50 0.00 -1.26 -4.64 107.32 106.51 1rw0 s GLY 158 Ca 0.56 -0.19 0.16 0.00 0.00 0.00 0.00 44.72 45.25 1rw0 s GLY 158 CO 0.19 0.29 1.48 -1.55 0.00 0.00 0.00 173.10 173.51 1rw0 n PRO 159 N -3.71 0.10 0.08 2.90 -0.04 -1.25 -0.65 135.00 132.42 1rw0 n PRO 159 Ca 0.07 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1rw0 n PRO 159 Cb 0.56 -1.76 0.16 0.00 -0.04 0.00 0.00 33.50 32.42 1rw0 n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rw0 h ALA 160 N 2.13 0.62 0.00 0.55 0.00 -1.93 -3.39 119.26 117.24 1rw0 h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rw0 h ALA 160 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rw0 h ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1rw0 n ALA 161 N -1.89 1.50 -2.66 0.00 0.00 -0.56 -4.95 120.51 111.94 1rw0 n ALA 161 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rw0 n ALA 161 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 1rw0 n ALA 161 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rw0 s PHE 162 N -0.67 2.92 0.00 0.00 5.36 0.17 -4.96 117.98 120.80 1rw0 s PHE 162 Ca 0.00 -1.70 -0.28 0.00 -0.96 0.00 0.00 56.93 53.99 1rw0 s PHE 162 Cb 0.00 -4.66 -0.04 0.00 -0.34 0.00 0.00 43.02 37.98 1rw0 s PHE 162 CO 0.00 -1.73 0.90 -2.00 -1.46 0.00 0.00 175.22 170.93 1rw0 s GLU 163 N 3.70 4.54 0.09 10.12 2.12 -1.26 -0.38 118.70 137.64 1rw0 s GLU 163 Ca 0.51 1.28 0.01 0.00 0.36 0.00 0.00 54.97 57.13 1rw0 s GLU 163 Cb 0.02 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1rw0 s GLU 163 CO 0.05 0.03 -0.06 0.14 -0.54 0.00 0.00 175.26 174.88 1rw0 s VAL 164 N 0.78 0.63 0.76 3.70 -7.23 0.29 -4.96 120.40 114.36 1rw0 s VAL 164 Ca 0.47 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1rw0 s VAL 164 Cb -0.20 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.20 1rw0 s VAL 164 CO 0.26 -0.85 1.14 -0.83 -0.31 0.00 0.00 175.10 174.50 1rw0 s GLY 165 N -2.92 1.61 0.59 2.32 0.00 -1.26 -1.57 107.32 106.08 1rw0 s GLY 165 Ca 0.10 -0.51 0.29 0.00 0.00 0.00 0.00 44.72 44.59 1rw0 s GLY 165 CO -0.05 -0.08 2.20 -0.56 0.00 0.00 0.00 173.10 174.61 1rw0 h PRO 166 N -0.87 0.00 0.00 2.90 0.13 -1.93 -1.87 132.00 130.35 1rw0 h PRO 166 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1rw0 h PRO 166 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1rw0 h PRO 166 CO 0.65 0.00 -0.24 1.05 -0.23 0.00 0.00 178.00 179.23 1rw0 h GLU 167 N 0.00 0.00 -0.09 0.86 9.09 -1.98 0.11 114.58 122.57 1rw0 h GLU 167 Ca 0.03 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.37 1rw0 h GLU 167 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1rw0 h GLU 167 CO -0.00 0.24 -0.20 0.28 0.05 0.00 0.00 179.01 179.38 1rw0 h VAL 168 N 0.00 1.40 -0.72 -1.06 2.07 -1.70 -1.57 116.25 114.67 1rw0 h VAL 168 Ca -0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1rw0 h VAL 168 Cb 0.45 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1rw0 h VAL 168 CO 0.03 0.43 0.41 -0.09 0.02 0.00 0.00 177.57 178.37 1rw0 h ARG 169 N -0.17 1.00 -0.94 1.57 2.43 -1.50 -2.24 114.38 114.53 1rw0 h ARG 169 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1rw0 h ARG 169 Cb 0.80 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 1rw0 h ARG 169 CO 0.04 0.73 0.56 -0.44 -1.51 0.00 0.00 179.97 179.35 1rw0 h ASP 170 N 0.99 1.14 -0.50 -3.80 3.32 -0.95 0.81 116.42 117.43 1rw0 h ASP 170 Ca 0.26 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1rw0 h ASP 170 Cb 0.01 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1rw0 h ASP 170 CO -0.04 0.88 0.25 0.00 -1.72 0.00 0.00 179.24 178.61 1rw0 h ALA 171 N 1.31 0.64 -0.18 3.45 0.00 -0.77 -0.55 119.26 123.15 1rw0 h ALA 171 Ca 0.34 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 1rw0 h ALA 171 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rw0 h ALA 171 CO -0.06 0.18 -0.73 0.74 0.00 0.00 0.00 179.25 179.38 1rw0 h PHE 172 N 0.66 1.04 -0.58 0.00 0.04 -1.13 -3.24 116.94 113.72 1rw0 h PHE 172 Ca 0.17 -0.44 -0.04 0.00 2.80 0.00 0.00 57.97 60.46 1rw0 h PHE 172 Cb 0.09 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 1rw0 h PHE 172 CO -0.01 1.27 0.20 1.25 -0.60 0.00 0.00 178.31 180.42 1rw0 h LEU 173 N 0.55 0.80 -2.31 1.54 5.85 -0.69 -2.32 115.31 118.72 1rw0 h LEU 173 Ca -0.04 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1rw0 h LEU 173 Cb 1.35 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1rw0 h LEU 173 CO 0.15 0.74 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1rw0 h ALA 174 N 1.37 1.00 0.00 1.25 0.00 -1.12 -3.01 119.26 118.75 1rw0 h ALA 174 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rw0 h ALA 174 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rw0 h ALA 174 CO -0.01 0.00 -0.65 1.63 0.00 0.00 0.00 179.25 180.21 1rw0 n LYS 175 N -2.97 2.90 -3.32 0.00 5.02 -0.91 -4.97 118.16 113.90 1rw0 n LYS 175 Ca -0.02 -0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1rw0 n LYS 175 Cb 0.14 -1.07 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1rw0 n LYS 175 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rw0 s ASP 176 N -2.22 -0.92 0.30 4.39 2.15 -0.98 -5.04 116.67 114.34 1rw0 s ASP 176 Ca 0.03 0.88 0.02 0.00 0.43 0.00 0.00 52.55 53.91 1rw0 s ASP 176 Cb 0.09 1.89 0.59 0.00 -0.30 0.00 0.00 42.92 45.19 1rw0 s ASP 176 CO 0.47 -0.17 1.86 0.00 -0.17 0.00 0.00 175.17 177.16 1rw0 h ALA 177 N 7.87 1.57 0.00 3.66 0.00 -1.86 -1.37 119.26 129.13 1rw0 h ALA 177 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rw0 h ALA 177 Cb 1.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1rw0 h ALA 177 CO 0.10 0.22 0.00 1.96 0.00 0.00 0.00 179.25 181.53 1rw0 h GLN 178 N 0.96 0.00 0.00 0.00 1.08 -1.94 -2.37 115.11 112.84 1rw0 h GLN 178 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1rw0 h GLN 178 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1rw0 h GLN 178 CO -0.22 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.66 1rw0 h ALA 179 N 2.09 1.00 -0.61 3.87 0.00 -1.55 -2.24 119.26 121.82 1rw0 h ALA 179 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rw0 h ALA 179 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rw0 h ALA 179 CO 0.00 0.00 0.40 0.22 0.00 0.00 0.00 179.25 179.87 1rw0 h ASP 180 N 0.00 0.59 0.72 0.00 3.58 -1.62 -1.84 116.42 117.85 1rw0 h ASP 180 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rw0 h ASP 180 Cb 0.15 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1rw0 h ASP 180 CO 0.00 0.40 0.00 0.28 -2.88 0.00 0.00 179.24 177.04 1rw0 h SER 181 N 0.68 0.00 -0.05 2.28 0.02 -1.65 -2.90 113.55 111.93 1rw0 h SER 181 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1rw0 h SER 181 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1rw0 h SER 181 CO -0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 1rw0 n ALA 182 N -2.07 2.58 -3.94 3.77 0.00 -0.69 -4.80 120.51 115.37 1rw0 n ALA 182 Ca -0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1rw0 n ALA 182 Cb 0.23 -1.21 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 1rw0 n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1rw0 s PHE 183 N -1.95 2.61 -0.20 0.00 0.08 -1.10 -1.44 117.98 115.97 1rw0 s PHE 183 Ca 0.38 -1.45 -0.06 0.00 0.12 0.00 0.00 56.93 55.92 1rw0 s PHE 183 Cb 0.20 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1rw0 s PHE 183 CO 0.32 -0.71 0.02 -1.17 -0.10 0.00 0.00 175.22 173.58 1rw0 s LEU 184 N 1.15 3.38 0.23 -0.37 2.96 -0.39 -4.92 118.68 120.72 1rw0 s LEU 184 Ca 0.01 -0.15 -0.31 0.00 -0.22 0.00 0.00 54.13 53.45 1rw0 s LEU 184 Cb -0.14 -1.86 -0.14 0.00 0.50 0.00 0.00 46.19 44.55 1rw0 s LEU 184 CO -0.09 0.07 1.34 -2.65 -1.32 0.00 0.00 176.35 173.70 1rw0 n PRO 185 N 4.20 1.82 -3.39 0.98 -0.02 -1.26 -0.59 135.00 136.73 1rw0 n PRO 185 Ca -0.17 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 1rw0 n PRO 185 Cb 0.52 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 1rw0 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rw0 s HIS 186 N -0.15 0.98 0.00 6.00 2.46 0.19 -4.76 115.29 120.01 1rw0 s HIS 186 Ca 0.69 -2.20 0.00 0.00 0.47 0.00 0.00 55.06 54.01 1rw0 s HIS 186 Cb -0.69 -0.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.87 1rw0 s HIS 186 CO 0.51 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 172.35 1rw0 n GLY 187 N 3.00 2.08 0.05 1.59 0.00 -1.26 -1.05 105.19 109.60 1rw0 n GLY 187 Ca 0.27 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1rw0 n GLY 187 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rw0 n GLU 188 N 13.11 0.64 -1.01 1.61 4.07 -1.26 -4.86 120.64 132.93 1rw0 n GLU 188 Ca 0.00 -0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1rw0 n GLU 188 Cb 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1rw0 n GLU 188 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1rw0 n LYS 189 N -1.09 2.59 -3.96 5.31 5.02 -0.21 -4.51 118.16 121.30 1rw0 n LYS 189 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1rw0 n LYS 189 Cb 0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.14 1rw0 n LYS 189 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1rw0 s PHE 190 N 0.24 0.23 -0.21 2.13 0.08 -0.61 0.53 117.98 120.36 1rw0 s PHE 190 Ca 0.00 -0.49 -0.10 0.00 0.12 0.00 0.00 56.93 56.45 1rw0 s PHE 190 Cb 0.00 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.23 1rw0 s PHE 190 CO 0.00 -0.26 0.14 -0.51 -0.10 0.00 0.00 175.22 174.49 1rw0 s LEU 191 N -1.72 4.17 -0.06 -0.37 1.43 0.24 -0.55 118.68 121.83 1rw0 s LEU 191 Ca -0.11 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1rw0 s LEU 191 Cb -0.06 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1rw0 s LEU 191 CO -0.02 0.14 -0.04 0.00 0.23 0.00 0.00 176.35 176.66 1rw0 s ALA 192 N 0.60 3.09 -0.55 4.21 0.00 0.49 -1.26 121.76 128.33 1rw0 s ALA 192 Ca 0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 1rw0 s ALA 192 Cb -0.12 -1.29 0.14 0.00 0.00 0.00 0.00 23.12 21.85 1rw0 s ALA 192 CO 0.00 0.59 0.48 0.34 0.00 0.00 0.00 175.76 177.17 1rw0 s ASP 193 N -0.96 6.06 0.40 0.00 -1.08 -0.52 -3.86 116.67 116.70 1rw0 s ASP 193 Ca 0.14 -1.97 0.17 0.00 -0.52 0.00 0.00 52.55 50.37 1rw0 s ASP 193 Cb -0.11 -2.13 0.84 0.00 -1.46 0.00 0.00 42.92 40.06 1rw0 s ASP 193 CO 0.03 -0.76 1.84 -0.29 0.52 0.00 0.00 175.17 176.52 1rw0 h ILE 194 N 5.83 1.05 -0.17 4.11 2.10 -1.89 -2.10 117.51 126.45 1rw0 h ILE 194 Ca -0.21 -1.22 -0.07 0.00 1.08 0.00 0.00 64.86 64.44 1rw0 h ILE 194 Cb 1.08 1.69 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1rw0 h ILE 194 CO 0.94 0.33 -0.17 1.88 -1.08 0.00 0.00 178.15 180.05 1rw0 h TYR 195 N 0.00 0.49 -0.70 2.19 0.05 -1.90 -1.49 116.97 115.61 1rw0 h TYR 195 Ca -0.00 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.64 1rw0 h TYR 195 Cb 0.67 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 1rw0 h TYR 195 CO 0.00 0.78 0.46 0.37 -1.05 0.00 0.00 178.16 178.72 1rw0 h GLN 196 N 0.06 0.91 -0.70 4.88 4.15 -1.93 -0.02 115.11 122.45 1rw0 h GLN 196 Ca 0.03 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1rw0 h GLN 196 Cb 0.70 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1rw0 h GLN 196 CO 0.04 0.60 0.16 -0.07 -1.93 0.00 0.00 178.83 177.63 1rw0 h LEU 197 N 0.93 1.08 -0.48 -2.39 3.38 -1.33 -1.32 115.31 115.18 1rw0 h LEU 197 Ca 0.26 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1rw0 h LEU 197 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1rw0 h LEU 197 CO -0.06 1.04 0.11 0.00 0.09 0.00 0.00 178.44 179.61 1rw0 h ALA 198 N 1.09 0.63 -0.30 1.53 0.00 -0.72 -1.74 119.26 119.76 1rw0 h ALA 198 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rw0 h ALA 198 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rw0 h ALA 198 CO 0.00 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.59 1rw0 h ARG 199 N 0.65 0.45 0.07 0.00 3.08 -0.77 -0.40 114.38 117.46 1rw0 h ARG 199 Ca 0.15 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1rw0 h ARG 199 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1rw0 h ARG 199 CO 0.00 0.48 -0.03 1.96 -1.07 0.00 0.00 179.97 181.31 1rw0 h GLN 200 N 0.44 -0.09 -0.43 0.04 4.20 -0.85 -0.58 115.11 117.85 1rw0 h GLN 200 Ca 0.10 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1rw0 h GLN 200 Cb 0.28 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1rw0 h GLN 200 CO 0.01 0.20 -0.13 0.00 -0.67 0.00 0.00 178.83 178.23 1rw0 h ARG 201 N -0.37 0.80 -0.56 1.46 2.47 -1.13 -0.73 114.38 116.32 1rw0 h ARG 201 Ca -0.01 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.36 1rw0 h ARG 201 Cb 0.32 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1rw0 h ARG 201 CO 0.01 0.89 0.08 -0.07 0.56 0.00 0.00 179.97 181.44 1rw0 h LEU 202 N 0.71 0.90 -1.45 3.04 3.38 -1.07 -2.46 115.31 118.37 1rw0 h LEU 202 Ca 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1rw0 h LEU 202 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1rw0 h LEU 202 CO 0.04 0.94 -0.24 0.00 0.09 0.00 0.00 178.44 179.27 1rw0 h ALA 203 N 0.99 1.54 -0.16 1.53 0.00 -0.77 -1.70 119.26 120.69 1rw0 h ALA 203 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rw0 h ALA 203 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rw0 h ALA 203 CO 0.01 0.34 -0.13 -0.91 0.00 0.00 0.00 179.25 178.56 1rw0 h ASN 204 N 0.05 0.23 0.29 0.00 2.35 -0.66 -2.62 115.58 115.22 1rw0 h ASN 204 Ca 0.01 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1rw0 h ASN 204 Cb 0.46 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1rw0 h ASN 204 CO 0.03 0.39 -0.22 0.35 -1.65 0.00 0.00 177.43 176.33 1rw0 n THR 205 N -4.27 0.00 0.00 2.81 -2.24 -0.81 -4.93 114.28 104.84 1rw0 n THR 205 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1rw0 n THR 205 Cb 0.27 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1rw0 n THR 205 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rw0 n GLY 206 N 1.33 0.79 3.69 3.38 0.00 -0.99 -4.74 105.19 108.65 1rw0 n GLY 206 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1rw0 n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rw0 s VAL 207 N -2.00 4.80 -0.20 1.61 1.01 -0.71 -2.82 120.40 122.09 1rw0 s VAL 207 Ca 0.00 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1rw0 s VAL 207 Cb 0.00 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1rw0 s VAL 207 CO 0.00 0.03 -0.13 -0.62 0.00 0.00 0.00 175.10 174.38 1rw0 n GLU 208 N 4.86 0.71 -3.16 2.72 1.02 -1.26 -3.85 120.64 121.68 1rw0 n GLU 208 Ca 0.08 0.09 -0.45 0.00 -0.02 0.00 0.00 57.16 56.86 1rw0 n GLU 208 Cb 0.49 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1rw0 n GLU 208 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rw0 s HIS 209 N -2.42 3.09 -0.14 -0.32 3.76 -1.26 -5.02 115.29 112.99 1rw0 s HIS 209 Ca -0.24 -1.10 0.02 0.00 -0.15 0.00 0.00 55.06 53.59 1rw0 s HIS 209 Cb 0.07 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.79 1rw0 s HIS 209 CO 0.54 -1.23 -0.19 0.08 -0.85 0.00 0.00 174.74 173.09 1rw0 s VAL 210 N 2.32 2.43 0.49 -0.90 1.01 -1.26 -1.21 120.40 123.27 1rw0 s VAL 210 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1rw0 s VAL 210 Cb -0.24 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1rw0 s VAL 210 CO 0.04 0.53 0.07 -0.31 0.00 0.00 0.00 175.10 175.44 1rw0 s TYR 211 N 0.65 2.02 0.00 5.22 2.02 0.19 -4.97 117.35 122.48 1rw0 s TYR 211 Ca -0.09 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.75 1rw0 s TYR 211 Cb -0.16 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1rw0 s TYR 211 CO 0.02 0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1rw0 n GLY 212 N -1.28 -1.37 0.33 0.71 0.00 -1.26 0.47 105.19 102.80 1rw0 n GLY 212 Ca -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1rw0 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw0 n GLY 213 N 0.00 0.90 0.64 -0.02 0.00 -0.64 -4.68 105.19 101.39 1rw0 n GLY 213 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1rw0 n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rw0 n ASP 214 N 0.23 1.93 -4.68 1.61 3.85 -1.26 -4.98 116.55 113.25 1rw0 n ASP 214 Ca 0.00 -1.73 -0.27 0.00 -0.71 0.00 0.00 54.79 52.07 1rw0 n ASP 214 Cb 0.00 -0.11 -0.09 0.00 -1.35 0.00 0.00 41.12 39.57 1rw0 n ASP 214 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1rw0 s ARG 215 N -1.79 2.08 -0.27 0.11 1.81 -1.26 -5.12 118.95 114.51 1rw0 s ARG 215 Ca 0.34 -2.05 -0.01 0.00 -1.72 0.00 0.00 55.73 52.28 1rw0 s ARG 215 Cb 0.19 -1.75 0.13 0.00 -0.45 0.00 0.00 34.95 33.06 1rw0 s ARG 215 CO 0.28 -0.12 0.29 0.00 -0.68 0.00 0.00 175.30 175.07 1rw0 h THR 217 N 6.27 0.93 -0.16 0.00 1.35 -1.48 -1.46 112.91 118.36 1rw0 h THR 217 Ca -0.14 -0.05 -0.09 0.00 -0.55 0.00 0.00 66.41 65.57 1rw0 h THR 217 Cb 1.09 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1rw0 h THR 217 CO 0.32 0.03 -0.25 0.15 -0.25 0.00 0.00 175.52 175.52 1rw0 h PHE 218 N 0.16 0.56 0.10 4.73 3.57 -1.87 -3.36 116.94 120.83 1rw0 h PHE 218 Ca 0.14 -0.19 -0.25 0.00 3.53 0.00 0.00 57.97 61.20 1rw0 h PHE 218 Cb 0.36 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 39.02 1rw0 h PHE 218 CO -0.00 0.88 -1.03 0.77 -2.23 0.00 0.00 178.31 176.70 1rw0 h SER 219 N 0.08 0.73 -0.77 0.41 0.02 -1.90 -3.37 113.55 108.75 1rw0 h SER 219 Ca 0.01 -0.83 -0.73 0.00 -0.84 0.00 0.00 61.79 59.40 1rw0 h SER 219 Cb 0.82 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 1rw0 h SER 219 CO 0.06 1.49 2.69 -0.62 -1.14 0.00 0.00 176.83 179.31 1rw0 n GLU 220 N -3.95 3.68 0.27 3.45 1.02 -0.57 -4.75 120.64 119.78 1rw0 n GLU 220 Ca -0.13 -3.07 0.10 0.00 -0.02 0.00 0.00 57.16 54.04 1rw0 n GLU 220 Cb 0.89 -2.92 0.70 0.00 -0.02 0.00 0.00 31.44 30.09 1rw0 n GLU 220 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1rw0 h SER 221 N 5.41 0.00 1.07 1.62 4.64 -1.76 -0.36 113.55 124.18 1rw0 h SER 221 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1rw0 h SER 221 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1rw0 h SER 221 CO 1.68 0.02 0.00 -1.84 -0.87 0.00 0.00 176.83 175.82 1rw0 n GLU 222 N -4.34 0.13 -0.05 4.77 0.00 -1.26 -4.03 120.64 115.86 1rw0 n GLU 222 Ca -0.03 0.18 -0.07 0.00 0.00 0.00 0.00 57.16 57.24 1rw0 n GLU 222 Cb 0.10 -1.67 -0.05 0.00 0.00 0.00 0.00 31.44 29.82 1rw0 n GLU 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1rw0 n THR 223 N -1.89 0.58 -4.31 3.84 -1.04 -0.48 -4.78 114.28 106.18 1rw0 n THR 223 Ca 0.05 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 1rw0 n THR 223 Cb 0.33 -0.85 -0.12 0.00 -1.82 0.00 0.00 70.33 67.87 1rw0 n THR 223 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1rw0 s PHE 224 N -2.20 1.85 0.45 -1.42 0.08 -0.27 -0.57 117.98 115.90 1rw0 s PHE 224 Ca -0.13 -0.43 -0.15 0.00 0.12 0.00 0.00 56.93 56.34 1rw0 s PHE 224 Cb 0.03 -0.98 -0.08 0.00 -0.57 0.00 0.00 43.02 41.43 1rw0 s PHE 224 CO 0.25 0.27 0.89 -0.06 -0.10 0.00 0.00 175.22 176.47 1rw0 s PHE 225 N -1.49 3.43 -0.15 0.36 0.08 -1.26 -4.48 117.98 114.47 1rw0 s PHE 225 Ca 0.11 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.46 1rw0 s PHE 225 Cb -0.08 -2.68 0.07 0.00 -0.57 0.00 0.00 43.02 39.76 1rw0 s PHE 225 CO 0.05 -0.20 0.24 0.45 -0.10 0.00 0.00 175.22 175.66 1rw0 s SER 226 N -2.86 0.68 0.31 1.36 0.15 -1.26 -4.44 113.70 107.64 1rw0 s SER 226 Ca 0.57 0.32 -0.00 0.00 0.70 0.00 0.00 55.95 57.54 1rw0 s SER 226 Cb -0.10 0.57 0.48 0.00 -1.71 0.00 0.00 66.02 65.26 1rw0 s SER 226 CO 0.27 -0.27 1.91 0.22 1.20 0.00 0.00 173.24 176.57 1rw0 h TYR 227 N 8.30 0.86 -0.23 3.44 3.20 -1.19 0.11 116.97 131.46 1rw0 h TYR 227 Ca -0.15 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.54 1rw0 h TYR 227 Cb 1.13 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1rw0 h TYR 227 CO 0.31 0.64 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.92 1rw0 h ARG 228 N 0.86 0.58 0.00 1.82 9.65 -1.93 -2.65 114.38 122.72 1rw0 h ARG 228 Ca 0.21 -0.32 -0.06 0.00 -1.10 0.00 0.00 59.98 58.71 1rw0 h ARG 228 Cb 0.11 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1rw0 h ARG 228 CO -0.03 0.92 -0.22 -0.09 2.80 0.00 0.00 179.97 183.36 1rw0 h ARG 229 N 0.47 0.15 -4.01 0.20 2.43 -1.85 -3.42 114.38 108.35 1rw0 h ARG 229 Ca 0.03 -0.16 -0.61 0.00 -0.81 0.00 0.00 59.98 58.43 1rw0 h ARG 229 Cb 0.98 0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 30.17 1rw0 h ARG 229 CO 0.09 0.91 -0.75 -0.51 -1.51 0.00 0.00 179.97 178.20 1rw0 s ASP 230 N -6.28 4.24 0.23 -3.80 1.01 0.34 -5.02 116.67 107.40 1rw0 s ASP 230 Ca -0.16 -1.76 -0.12 0.00 0.71 0.00 0.00 52.55 51.22 1rw0 s ASP 230 Cb 0.00 -1.15 0.29 0.00 1.01 0.00 0.00 42.92 43.08 1rw0 s ASP 230 CO 0.73 -0.39 1.61 0.50 0.21 0.00 0.00 175.17 177.84 1rw0 h LYS 231 N 7.92 0.01 -4.92 8.23 3.64 -1.69 -3.32 116.57 126.43 1rw0 h LYS 231 Ca -0.11 -0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.60 1rw0 h LYS 231 Cb 1.02 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.67 1rw0 h LYS 231 CO 0.48 0.00 -0.25 0.99 -2.27 0.00 0.00 179.45 178.41 1rw0 s THR 232 N -6.23 5.13 0.16 1.00 2.01 -1.26 -4.85 115.64 111.60 1rw0 s THR 232 Ca -0.14 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1rw0 s THR 232 Cb 0.21 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.83 1rw0 s THR 232 CO 0.75 -0.23 0.35 1.07 -0.69 0.00 0.00 174.62 175.86 1rw0 n THR 233 N 5.32 0.00 -1.44 -0.82 5.66 -1.25 -4.78 114.28 116.98 1rw0 n THR 233 Ca -0.08 -0.41 -0.02 0.00 -3.05 0.00 0.00 64.05 60.49 1rw0 n THR 233 Cb 0.48 0.41 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 1rw0 n THR 233 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rw0 n GLY 234 N -0.24 -0.55 2.97 1.09 0.00 -1.25 -4.87 105.19 102.34 1rw0 n GLY 234 Ca -0.04 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1rw0 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rw0 s ARG 235 N -2.99 0.21 0.51 1.61 1.81 -1.26 -4.76 118.95 114.07 1rw0 s ARG 235 Ca 0.05 -0.26 0.08 0.00 -1.72 0.00 0.00 55.73 53.87 1rw0 s ARG 235 Cb -0.00 0.08 0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1rw0 s ARG 235 CO 0.03 -0.04 0.52 -1.64 -0.68 0.00 0.00 175.30 173.50 1rw0 s MET 236 N -0.75 2.40 0.01 3.54 -1.94 0.75 -1.90 119.30 121.42 1rw0 s MET 236 Ca -0.08 -1.70 -0.15 0.00 -1.71 0.00 0.00 55.69 52.04 1rw0 s MET 236 Cb -0.05 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.42 1rw0 s MET 236 CO -0.00 -0.54 0.32 0.00 -0.01 0.00 0.00 175.02 174.80 1rw0 s ALA 237 N -2.62 -0.79 -0.04 3.03 0.00 -1.26 -1.05 121.76 119.03 1rw0 s ALA 237 Ca 0.48 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1rw0 s ALA 237 Cb -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1rw0 s ALA 237 CO 0.29 -0.34 -0.25 -1.12 0.00 0.00 0.00 175.76 174.35 1rw0 s SER 238 N -1.66 2.96 0.10 0.00 0.01 -0.69 -0.93 113.70 113.49 1rw0 s SER 238 Ca -0.10 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 56.74 1rw0 s SER 238 Cb -0.03 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1rw0 s SER 238 CO 0.01 0.27 -0.13 -0.36 0.41 0.00 0.00 173.24 173.44 1rw0 s PHE 239 N -0.35 1.26 -0.22 2.43 0.08 0.52 -2.20 117.98 119.50 1rw0 s PHE 239 Ca 0.03 -0.56 -0.20 0.00 0.12 0.00 0.00 56.93 56.31 1rw0 s PHE 239 Cb -0.12 -0.67 0.06 0.00 -0.57 0.00 0.00 43.02 41.72 1rw0 s PHE 239 CO 0.01 0.08 0.58 -1.50 -0.10 0.00 0.00 175.22 174.29 1rw0 s ILE 240 N -2.05 -0.00 0.09 0.64 2.07 -0.66 -1.98 121.20 119.31 1rw0 s ILE 240 Ca 0.05 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.11 1rw0 s ILE 240 Cb -0.05 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.78 1rw0 s ILE 240 CO 0.02 0.00 0.46 -1.66 -1.91 0.00 0.00 174.94 171.85 1rw0 s TRP 241 N 0.31 -0.31 -0.06 3.50 -2.14 -0.62 -1.19 118.94 118.42 1rw0 s TRP 241 Ca -0.00 0.15 -0.25 0.00 2.66 0.00 0.00 56.10 58.67 1rw0 s TRP 241 Cb -0.04 0.31 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 1rw0 s TRP 241 CO 0.01 -0.68 0.75 -0.51 -2.66 0.00 0.00 176.95 173.86 1rw0 s LEU 242 N -2.43 4.32 0.00 -4.66 1.43 -1.26 -1.81 118.68 114.27 1rw0 s LEU 242 Ca -0.01 1.27 0.17 0.00 -1.03 0.00 0.00 54.13 54.53 1rw0 s LEU 242 Cb 0.00 -3.17 1.03 0.00 0.03 0.00 0.00 46.19 44.08 1rw0 s LEU 242 CO -0.08 -0.15 1.43 -0.38 0.23 0.00 0.00 176.35 177.40