#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw0 h ASN 2 N 0.00 0.00 0.67 6.12 2.35 -2.03 -2.79 115.58 119.90 1rw0 h ASN 2 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rw0 h ASN 2 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1rw0 h ASN 2 CO 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 177.43 175.70 1rw0 n ALA 3 N -1.88 2.60 -2.92 -0.83 0.00 -1.26 -4.60 120.51 111.62 1rw0 n ALA 3 Ca 0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1rw0 n ALA 3 Cb 0.39 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 1rw0 n ALA 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rw0 s LEU 4 N -2.75 1.97 -0.17 0.00 2.96 -1.05 -2.58 118.68 117.05 1rw0 s LEU 4 Ca 0.22 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1rw0 s LEU 4 Cb 0.19 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.97 1rw0 s LEU 4 CO 0.51 -0.09 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.79 1rw0 s ILE 5 N -0.37 3.85 -0.34 6.68 1.01 0.21 -4.74 121.20 127.50 1rw0 s ILE 5 Ca -0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1rw0 s ILE 5 Cb -0.03 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1rw0 s ILE 5 CO -0.00 0.48 0.23 -0.69 0.00 0.00 0.00 174.94 174.96 1rw0 s VAL 6 N 0.55 5.21 0.16 2.92 1.01 -1.26 -1.23 120.40 127.77 1rw0 s VAL 6 Ca -0.03 -0.23 -0.34 0.00 0.00 0.00 0.00 61.98 61.38 1rw0 s VAL 6 Cb -0.14 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 1rw0 s VAL 6 CO 0.03 0.00 1.59 -2.65 0.00 0.00 0.00 175.10 174.06 1rw0 n PRO 7 N 5.09 2.19 -3.12 2.72 -0.02 -1.26 -4.92 135.00 135.69 1rw0 n PRO 7 Ca -0.13 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 1rw0 n PRO 7 Cb 0.50 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.94 3.08 0.09 -0.52 -1.52 -1.26 -4.96 119.66 115.50 1rw0 s GLN 8 Ca 0.79 -1.11 -0.26 0.00 -1.95 0.00 0.00 55.36 52.82 1rw0 s GLN 8 Cb -0.67 -4.19 0.08 0.00 -0.22 0.00 0.00 33.01 28.01 1rw0 s GLN 8 CO 0.38 -1.42 0.81 1.67 -0.25 0.00 0.00 175.29 176.47 1rw0 s TRP 9 N 2.72 -0.36 -0.81 0.91 1.48 -1.26 -4.56 118.94 117.06 1rw0 s TRP 9 Ca 0.13 0.15 -0.11 0.00 -1.06 0.00 0.00 56.10 55.21 1rw0 s TRP 9 Cb -0.22 0.57 -0.09 0.00 -1.16 0.00 0.00 33.47 32.58 1rw0 s TRP 9 CO 0.09 -0.73 1.98 -2.30 -4.06 0.00 0.00 176.95 171.94 1rw0 n PRO 10 N -0.33 1.76 -1.68 3.25 -0.02 -1.26 -4.92 135.00 131.79 1rw0 n PRO 10 Ca -0.10 -1.54 -0.42 0.00 -2.02 0.00 0.00 63.50 59.42 1rw0 n PRO 10 Cb 0.62 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1rw0 n PRO 10 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1rw0 n LEU 11 N 5.42 4.09 -4.74 2.45 7.94 -1.26 -4.96 117.00 125.95 1rw0 n LEU 11 Ca 0.44 0.96 -0.32 0.00 -1.11 0.00 0.00 56.01 55.98 1rw0 n LEU 11 Cb 0.22 -1.54 0.10 0.00 0.53 0.00 0.00 43.42 42.73 1rw0 n LEU 11 CO 0.81 0.19 0.72 -2.16 -1.11 0.00 0.00 177.39 175.84 1rw0 s PRO 12 N 3.22 2.01 0.23 1.96 0.04 -1.26 -4.94 135.00 136.26 1rw0 s PRO 12 Ca 0.84 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 1rw0 s PRO 12 Cb -0.47 -1.85 0.28 0.00 0.04 0.00 0.00 34.50 32.50 1rw0 s PRO 12 CO 0.39 -1.87 1.58 0.87 0.04 0.00 0.00 177.00 178.01 1rw0 h LYS 13 N -0.96 -0.04 -0.93 4.56 1.57 -1.91 -2.33 116.57 116.53 1rw0 h LYS 13 Ca -0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1rw0 h LYS 13 Cb 1.25 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1rw0 h LYS 13 CO 0.49 -0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 1rw0 n GLY 14 N -1.50 1.78 3.25 3.86 0.00 -1.26 -4.87 105.19 106.45 1rw0 n GLY 14 Ca 0.10 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.30 1.60 0.04 1.61 1.01 -0.88 -0.74 120.40 121.74 1rw0 s VAL 15 Ca 0.10 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1rw0 s VAL 15 Cb 0.08 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1rw0 s VAL 15 CO 0.03 0.10 -0.08 0.00 0.00 0.00 0.00 175.10 175.15 1rw0 s ALA 16 N -0.92 0.60 -0.05 5.51 0.00 -0.68 -4.80 121.76 121.42 1rw0 s ALA 16 Ca 0.06 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1rw0 s ALA 16 Cb -0.09 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.15 1rw0 s ALA 16 CO 0.02 -0.02 0.74 0.00 0.00 0.00 0.00 175.76 176.51 1rw0 s ALA 17 N -1.40 -1.79 0.18 0.00 0.00 -1.26 -1.53 121.76 115.96 1rw0 s ALA 17 Ca -0.10 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 1rw0 s ALA 17 Cb -0.10 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1rw0 s ALA 17 CO 0.00 -0.41 0.58 0.00 0.00 0.00 0.00 175.76 175.94 1rw0 s SER 19 N -2.79 0.24 0.62 0.00 0.15 -0.36 -0.28 113.70 111.27 1rw0 s SER 19 Ca 0.03 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 1rw0 s SER 19 Cb -0.01 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1rw0 s SER 19 CO -0.09 -0.07 0.95 -0.94 1.20 0.00 0.00 173.24 174.29 1rw0 s SER 20 N 0.72 5.54 0.19 5.45 1.04 -0.35 0.68 113.70 126.96 1rw0 s SER 20 Ca -0.07 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.18 1rw0 s SER 20 Cb -0.10 -1.74 -0.00 0.00 0.10 0.00 0.00 66.02 64.27 1rw0 s SER 20 CO -0.02 -1.14 0.04 0.35 0.98 0.00 0.00 173.24 173.45 1rw0 n THR 21 N -2.69 0.00 1.27 2.02 -2.24 -1.07 -4.53 114.28 107.04 1rw0 n THR 21 Ca 0.05 -1.01 0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1rw0 n THR 21 Cb 0.58 0.31 0.43 0.00 -2.10 0.00 0.00 70.33 69.54 1rw0 n THR 21 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1rw0 n ARG 22 N -0.44 0.77 -3.12 -0.78 1.85 -0.29 -4.65 116.66 110.00 1rw0 n ARG 22 Ca -0.05 -0.41 -0.36 0.00 -1.00 0.00 0.00 57.85 56.03 1rw0 n ARG 22 Cb 0.26 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.12 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 -2.52 4.59 0.00 8.89 1.01 -1.26 -0.92 121.20 130.99 1rw0 s ILE 23 Ca 0.25 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1rw0 s ILE 23 Cb 0.19 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1rw0 s ILE 23 CO 0.52 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1rw0 n GLY 24 N 0.78 0.82 0.00 6.18 0.00 -1.26 -4.10 105.19 107.61 1rw0 n GLY 24 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.24 2.74 0.00 -0.02 0.00 -1.26 -4.78 105.19 99.63 1rw0 n GLY 25 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.09 0.06 -2.29 1.61 3.14 -1.24 -4.64 118.33 114.88 1rw0 n VAL 26 Ca 0.00 -0.39 -0.33 0.00 -2.96 0.00 0.00 64.34 60.65 1rw0 n VAL 26 Cb 0.00 1.22 -0.01 0.00 -1.06 0.00 0.00 33.84 33.99 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 -0.06 6.04 0.30 6.55 0.01 -0.97 -4.70 113.70 120.88 1rw0 s SER 27 Ca 0.00 1.89 0.07 0.00 1.31 0.00 0.00 55.95 59.22 1rw0 s SER 27 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1rw0 s SER 27 CO 0.00 -0.99 0.32 -0.76 0.41 0.00 0.00 173.24 172.23 1rw0 s LEU 28 N -3.99 3.83 0.28 2.44 1.43 -1.26 0.27 118.68 121.69 1rw0 s LEU 28 Ca 0.66 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1rw0 s LEU 28 Cb -0.17 -2.46 -0.15 0.00 0.03 0.00 0.00 46.19 43.45 1rw0 s LEU 28 CO 0.28 -0.26 0.83 -0.24 0.23 0.00 0.00 176.35 177.19 1rw0 n SER 29 N -1.40 0.41 -0.77 2.29 2.88 -1.26 -0.89 113.62 114.87 1rw0 n SER 29 Ca -0.04 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.68 1rw0 n SER 29 Cb 0.59 -1.18 0.14 0.00 -0.75 0.00 0.00 64.21 63.00 1rw0 n SER 29 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1rw0 n PRO 30 N 0.77 2.07 -0.56 -1.46 -0.04 -1.26 -4.77 135.00 129.75 1rw0 n PRO 30 Ca 0.12 -1.11 0.08 0.00 -0.04 0.00 0.00 63.50 62.54 1rw0 n PRO 30 Cb 0.31 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.57 1rw0 n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1rw0 n TYR 31 N 0.29 1.26 -1.10 0.54 4.02 -0.07 -4.02 117.16 118.07 1rw0 n TYR 31 Ca 0.10 -0.77 -0.51 0.00 -0.01 0.00 0.00 57.90 56.71 1rw0 n TYR 31 Cb 0.42 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 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 0.10 0.68 0.00 7.72 5.75 -0.99 -4.13 116.55 125.69 1rw0 n ASP 32 Ca 0.23 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.64 1rw0 n ASP 32 Cb 0.92 -0.75 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 5.84 0.00 -3.45 -1.12 2.88 0.77 -4.77 113.62 113.76 1rw0 n SER 33 Ca 0.43 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.60 1rw0 n SER 33 Cb -0.04 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 6.77 -4.66 2.46 7.94 -0.10 -2.30 117.00 127.11 1rw0 n LEU 34 Ca 0.00 -3.79 -0.40 0.00 -1.11 0.00 0.00 56.01 50.71 1rw0 n LEU 34 Cb 0.00 -1.43 -0.05 0.00 0.53 0.00 0.00 43.42 42.46 1rw0 n LEU 34 CO 0.00 1.14 0.42 0.21 -1.11 0.00 0.00 177.39 178.05 1rw0 s ASN 35 N 3.14 6.75 0.00 1.96 3.04 -1.26 -4.64 114.94 123.93 1rw0 s ASN 35 Ca 0.55 0.91 0.20 0.00 0.04 0.00 0.00 52.86 54.56 1rw0 s ASN 35 Cb 0.15 -2.37 0.02 0.00 -1.54 0.00 0.00 41.25 37.51 1rw0 s ASN 35 CO -0.04 -0.29 1.00 0.18 -3.04 0.00 0.00 177.10 174.91 1rw0 n LEU 36 N 5.01 1.96 -4.71 3.21 4.77 -0.92 -4.53 117.00 121.80 1rw0 n LEU 36 Ca -0.00 -0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 54.77 1rw0 n LEU 36 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1rw0 n LEU 36 CO 0.45 0.36 0.56 -0.83 -1.33 0.00 0.00 177.39 176.60 1rw0 s GLY 37 N -2.12 2.75 0.00 -0.72 0.00 -1.26 -4.95 107.32 101.03 1rw0 s GLY 37 Ca 0.17 0.35 0.25 0.00 0.00 0.00 0.00 44.72 45.48 1rw0 s GLY 37 CO 0.45 1.47 1.37 0.00 0.00 0.00 0.00 173.10 176.39 1rw0 n ALA 38 N 3.90 2.87 -1.95 3.20 0.00 -1.26 -4.37 120.51 122.90 1rw0 n ALA 38 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1rw0 n ALA 38 Cb 0.51 -0.93 0.12 0.00 0.00 0.00 0.00 19.45 19.15 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 0.43 0.76 -0.02 0.00 8.25 -1.26 -4.70 115.22 118.68 1rw0 n HIS 39 Ca 0.14 -1.56 0.01 0.00 -0.26 0.00 0.00 57.72 56.05 1rw0 n HIS 39 Cb 0.47 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.28 0.83 3.92 0.00 0.00 -1.26 -4.72 105.19 103.68 1rw0 n GLY 41 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.33 3.93 -0.15 1.61 2.15 -1.26 -4.98 116.67 115.63 1rw0 s ASP 42 Ca 0.00 0.45 -0.29 0.00 0.43 0.00 0.00 52.55 53.13 1rw0 s ASP 42 Cb 0.00 -0.76 -0.03 0.00 -0.30 0.00 0.00 42.92 41.83 1rw0 s ASP 42 CO 0.00 -2.23 1.50 0.21 -0.17 0.00 0.00 175.17 174.48 1rw0 s ASN 43 N -4.72 6.67 0.43 -0.34 3.84 -1.26 -4.90 114.94 114.66 1rw0 s ASN 43 Ca 0.67 1.82 0.13 0.00 0.21 0.00 0.00 52.86 55.69 1rw0 s ASN 43 Cb -0.07 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 39.09 1rw0 s ASN 43 CO 0.50 -0.98 1.98 1.55 -2.79 0.00 0.00 177.10 177.36 1rw0 h PRO 44 N 9.47 0.43 -0.68 0.43 0.13 -1.95 -1.29 132.00 138.54 1rw0 h PRO 44 Ca -0.33 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 1rw0 h PRO 44 Cb 1.14 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1rw0 h PRO 44 CO 0.98 0.29 0.12 0.93 -0.23 0.00 0.00 178.00 180.09 1rw0 h GLU 45 N 0.45 1.12 -0.54 0.86 5.08 -2.00 -2.09 114.58 117.46 1rw0 h GLU 45 Ca 0.27 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1rw0 h GLU 45 Cb 0.48 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1rw0 h GLU 45 CO -0.08 1.02 -0.12 0.45 -1.00 0.00 0.00 179.01 179.28 1rw0 h HIS 46 N 1.05 1.15 -0.90 4.33 3.86 -1.65 -2.35 115.15 120.64 1rw0 h HIS 46 Ca 0.21 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1rw0 h HIS 46 Cb 0.43 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 1rw0 h HIS 46 CO 0.03 1.07 0.51 0.28 0.86 0.00 0.00 177.93 180.68 1rw0 h VAL 47 N 0.90 1.26 -0.37 2.45 2.07 -1.11 0.62 116.25 122.07 1rw0 h VAL 47 Ca 0.14 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1rw0 h VAL 47 Cb 0.69 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1rw0 h VAL 47 CO 0.05 0.28 0.11 -0.33 0.02 0.00 0.00 177.57 177.71 1rw0 h GLU 48 N 1.25 0.58 -0.72 1.57 5.08 -1.22 -0.56 114.58 120.56 1rw0 h GLU 48 Ca 0.32 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1rw0 h GLU 48 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1rw0 h GLU 48 CO -0.05 0.59 0.26 1.49 -1.00 0.00 0.00 179.01 180.30 1rw0 h GLU 49 N 0.45 1.10 -0.66 2.33 4.57 -0.99 -0.88 114.58 120.50 1rw0 h GLU 49 Ca 0.12 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1rw0 h GLU 49 Cb 0.26 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1rw0 h GLU 49 CO -0.00 0.92 0.39 -0.91 -1.18 0.00 0.00 179.01 178.23 1rw0 h ASN 50 N 1.05 0.81 -0.55 1.04 2.35 -0.63 -1.04 115.58 118.60 1rw0 h ASN 50 Ca 0.24 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1rw0 h ASN 50 Cb 0.26 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1rw0 h ASN 50 CO -0.01 0.64 0.22 0.03 -1.65 0.00 0.00 177.43 176.66 1rw0 h ARG 51 N 0.90 0.82 -0.63 0.81 3.08 -0.71 -1.03 114.38 117.61 1rw0 h ARG 51 Ca 0.24 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1rw0 h ARG 51 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1rw0 h ARG 51 CO -0.04 0.71 0.36 0.87 -1.07 0.00 0.00 179.97 180.80 1rw0 h LYS 52 N 0.75 0.87 -0.03 0.04 1.57 -0.83 -0.19 116.57 118.75 1rw0 h LYS 52 Ca 0.18 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1rw0 h LYS 52 Cb 0.19 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1rw0 h LYS 52 CO -0.02 0.64 0.02 0.00 -0.57 0.00 0.00 179.45 179.52 1rw0 h ARG 53 N 0.86 0.05 -0.26 3.15 3.08 -0.89 -2.02 114.38 118.34 1rw0 h ARG 53 Ca 0.22 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1rw0 h ARG 53 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1rw0 h ARG 53 CO -0.04 0.10 0.05 1.25 -1.07 0.00 0.00 179.97 180.26 1rw0 h LEU 54 N -0.02 0.41 -0.85 3.04 5.85 -1.02 -0.68 115.31 122.03 1rw0 h LEU 54 Ca 0.01 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1rw0 h LEU 54 Cb 0.07 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1rw0 h LEU 54 CO -0.00 0.56 0.50 -0.26 -0.34 0.00 0.00 178.44 178.90 1rw0 h PHE 55 N 0.25 0.92 -0.16 1.25 0.05 -1.00 0.40 116.94 118.65 1rw0 h PHE 55 Ca 0.08 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.82 1rw0 h PHE 55 Cb 0.32 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 37.98 1rw0 h PHE 55 CO 0.02 0.39 -0.21 0.00 -0.18 0.00 0.00 178.31 178.33 1rw0 h ALA 56 N 1.45 0.24 -0.30 2.45 0.00 -1.23 -0.40 119.26 121.47 1rw0 h ALA 56 Ca 0.40 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rw0 h ALA 56 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rw0 h ALA 56 CO -0.23 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.12 1rw0 h ALA 57 N 0.59 1.31 0.00 0.00 0.00 -0.56 -2.07 119.26 118.52 1rw0 h ALA 57 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rw0 h ALA 57 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rw0 h ALA 57 CO 0.05 0.46 -0.33 0.41 0.00 0.00 0.00 179.25 179.84 1rw0 n GLY 58 N -0.74 -1.47 3.45 0.00 0.00 0.14 -4.95 105.19 101.62 1rw0 n GLY 58 Ca 0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1rw0 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rw0 n ASN 59 N -1.91 -4.11 -4.77 1.61 2.85 -0.26 -4.95 115.26 103.72 1rw0 n ASN 59 Ca 0.05 -0.57 -0.40 0.00 -0.11 0.00 0.00 54.58 53.56 1rw0 n ASN 59 Cb 0.40 -4.96 -0.02 0.00 1.24 0.00 0.00 39.78 36.43 1rw0 n ASN 59 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1rw0 s LEU 60 N -6.69 4.35 0.43 1.20 1.43 -0.61 -4.93 118.68 113.87 1rw0 s LEU 60 Ca 0.28 2.55 0.24 0.00 -1.03 0.00 0.00 54.13 56.18 1rw0 s LEU 60 Cb -0.12 -3.78 0.67 0.00 0.03 0.00 0.00 46.19 42.99 1rw0 s LEU 60 CO 0.71 -0.58 1.72 1.55 0.23 0.00 0.00 176.35 179.98 1rw0 h PRO 61 N 3.14 0.00 -3.14 1.29 0.13 -1.91 -3.47 132.00 128.03 1rw0 h PRO 61 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1rw0 h PRO 61 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1rw0 h PRO 61 CO 0.64 0.16 0.19 -1.54 -0.23 0.00 0.00 178.00 177.22 1rw0 s SER 62 N -6.14 -0.04 0.24 1.44 1.04 -1.26 -5.06 113.70 103.92 1rw0 s SER 62 Ca 0.03 -0.95 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 1rw0 s SER 62 Cb 0.08 0.77 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 1rw0 s SER 62 CO 0.65 -1.48 1.30 -0.54 0.98 0.00 0.00 173.24 174.14 1rw0 s LYS 63 N -3.14 4.40 0.47 4.02 1.02 -1.26 -4.78 119.74 120.47 1rw0 s LYS 63 Ca 0.15 2.08 -0.24 0.00 0.02 0.00 0.00 55.97 57.98 1rw0 s LYS 63 Cb -0.05 -3.16 -0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1rw0 s LYS 63 CO 0.10 -0.20 1.39 -1.25 -0.92 0.00 0.00 175.35 174.47 1rw0 s PRO 64 N -0.67 3.59 -1.17 -1.68 0.04 -1.26 -4.62 135.00 129.23 1rw0 s PRO 64 Ca 0.54 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.74 1rw0 s PRO 64 Cb -0.37 -2.56 0.13 0.00 0.04 0.00 0.00 34.50 31.73 1rw0 s PRO 64 CO 0.42 -0.87 1.46 0.08 0.04 0.00 0.00 177.00 178.14 1rw0 s VAL 65 N -1.24 4.63 0.41 -0.36 1.01 -1.02 -4.98 120.40 118.85 1rw0 s VAL 65 Ca 0.63 -2.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 1rw0 s VAL 65 Cb -0.42 -4.98 -0.10 0.00 0.00 0.00 0.00 36.38 30.88 1rw0 s VAL 65 CO 0.53 -1.74 1.37 0.79 0.00 0.00 0.00 175.10 176.04 1rw0 n TRP 66 N 6.85 2.49 -4.17 5.22 5.03 -1.26 -4.56 117.44 127.03 1rw0 n TRP 66 Ca 0.37 0.48 -0.22 0.00 3.03 0.00 0.00 57.50 61.16 1rw0 n TRP 66 Cb 0.45 -2.44 -0.05 0.00 -1.03 0.00 0.00 31.31 28.25 1rw0 n TRP 66 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1rw0 s LEU 67 N -1.98 3.63 -1.00 -0.99 1.43 -1.26 -5.03 118.68 113.49 1rw0 s LEU 67 Ca 0.59 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 1rw0 s LEU 67 Cb -0.49 -2.15 0.17 0.00 0.03 0.00 0.00 46.19 43.75 1rw0 s LEU 67 CO 0.60 -0.03 1.13 -1.61 0.23 0.00 0.00 176.35 176.67 1rw0 s GLU 68 N -3.79 3.78 0.02 1.70 2.02 0.32 -4.94 118.70 117.81 1rw0 s GLU 68 Ca 0.32 -2.25 -0.30 0.00 0.02 0.00 0.00 54.97 52.76 1rw0 s GLU 68 Cb -0.07 -4.82 -0.06 0.00 0.10 0.00 0.00 34.13 29.28 1rw0 s GLU 68 CO 0.23 -1.62 1.38 -0.65 0.02 0.00 0.00 175.26 174.62 1rw0 s GLN 69 N 1.52 4.30 -0.10 1.61 -0.21 -1.22 -2.22 119.66 123.34 1rw0 s GLN 69 Ca 0.32 1.96 0.14 0.00 0.02 0.00 0.00 55.36 57.80 1rw0 s GLN 69 Cb -0.06 -3.50 0.24 0.00 1.00 0.00 0.00 33.01 30.69 1rw0 s GLN 69 CO -0.07 -0.53 1.12 1.33 -2.12 0.00 0.00 175.29 175.03 1rw0 n VAL 70 N 4.49 1.44 -3.01 1.09 0.24 -1.26 -4.99 118.33 116.33 1rw0 n VAL 70 Ca 0.12 -1.80 -0.22 0.00 -2.04 0.00 0.00 64.34 60.40 1rw0 n VAL 70 Cb 0.44 -0.04 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.04 -1.86 -1.45 6.34 8.25 -1.26 -4.98 115.22 119.22 1rw0 n HIS 71 Ca 0.12 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 1rw0 n HIS 71 Cb 0.67 -4.17 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -1.41 2.56 0.19 -1.41 0.00 -1.26 -3.22 105.19 100.64 1rw0 n GLY 72 Ca -0.11 -1.93 0.03 0.00 0.00 0.00 0.00 46.02 44.01 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 0.88 -2.74 1.61 2.85 -1.26 -4.32 118.16 115.18 1rw0 n LYS 73 Ca 0.00 -1.45 -0.40 0.00 -1.05 0.00 0.00 58.31 55.40 1rw0 n LYS 73 Cb 0.00 -0.88 -0.05 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.36 7.58 -0.14 -5.58 0.01 -1.26 -4.62 114.94 109.58 1rw0 s ASN 74 Ca 0.09 1.90 -0.02 0.00 -0.71 0.00 0.00 52.86 54.12 1rw0 s ASN 74 Cb 0.08 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 1rw0 s ASN 74 CO 0.01 0.07 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.91 1rw0 s VAL 75 N -0.72 3.66 -0.37 1.60 1.01 -1.26 -1.50 120.40 122.81 1rw0 s VAL 75 Ca 0.43 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1rw0 s VAL 75 Cb -0.25 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1rw0 s VAL 75 CO 0.31 0.51 0.23 -0.22 0.00 0.00 0.00 175.10 175.94 1rw0 s LEU 76 N 0.22 4.72 -0.14 3.92 2.96 0.12 -4.96 118.68 125.52 1rw0 s LEU 76 Ca -0.04 -0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.75 1rw0 s LEU 76 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1rw0 s LEU 76 CO 0.03 -0.36 1.34 -0.13 -1.32 0.00 0.00 176.35 175.91 1rw0 s ARG 77 N 1.62 4.23 -1.30 1.98 0.52 -1.26 -1.45 118.95 123.29 1rw0 s ARG 77 Ca 0.04 1.77 -0.18 0.00 -0.52 0.00 0.00 55.73 56.84 1rw0 s ARG 77 Cb -0.19 -3.79 0.04 0.00 0.52 0.00 0.00 34.95 31.53 1rw0 s ARG 77 CO 0.08 -0.72 1.85 1.28 0.02 0.00 0.00 175.30 177.81 1rw0 n LEU 78 N 6.62 5.02 -0.26 2.53 4.77 0.23 -4.68 117.00 131.23 1rw0 n LEU 78 Ca 0.14 -3.84 0.12 0.00 -0.03 0.00 0.00 56.01 52.40 1rw0 n LEU 78 Cb 0.44 -1.72 0.17 0.00 -2.33 0.00 0.00 43.42 39.99 1rw0 n LEU 78 CO 0.57 0.07 0.42 0.35 -1.33 0.00 0.00 177.39 177.47 1rw0 n THR 79 N 6.34 0.00 0.00 -5.08 -2.24 -1.26 -4.86 114.28 107.18 1rw0 n THR 79 Ca 0.49 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1rw0 n THR 79 Cb 0.45 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.41 3.33 0.00 3.38 0.00 -1.26 -5.02 105.19 107.03 1rw0 n GLY 80 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.84 1.61 1.02 -1.26 -3.92 120.64 116.24 1rw0 n GLU 81 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1rw0 n GLU 81 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 -4.87 1.93 0.04 3.49 0.02 -1.26 -4.92 135.00 129.43 1rw0 s PRO 82 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 61.00 60.46 1rw0 s PRO 82 Cb 0.00 -5.06 -0.04 0.00 0.02 0.00 0.00 34.50 29.42 1rw0 s PRO 82 CO 0.00 -4.48 0.20 0.71 -0.33 0.00 0.00 177.00 173.10 1rw0 s TYR 83 N 13.47 3.52 0.14 6.54 1.51 -1.25 -4.99 117.35 136.28 1rw0 s TYR 83 Ca 0.76 0.27 0.14 0.00 -1.01 0.00 0.00 57.07 57.23 1rw0 s TYR 83 Cb -0.05 -1.77 0.35 0.00 -0.11 0.00 0.00 41.96 40.38 1rw0 s TYR 83 CO 0.12 0.60 1.58 0.00 -1.11 0.00 0.00 175.55 176.74 1rw0 h ALA 84 N 3.27 0.84 -1.45 3.71 0.00 -1.95 -3.45 119.26 120.23 1rw0 h ALA 84 Ca -0.46 -0.51 0.12 0.00 0.00 0.00 0.00 54.91 54.06 1rw0 h ALA 84 Cb 1.17 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 1rw0 h ALA 84 CO 0.74 0.71 0.47 0.45 0.00 0.00 0.00 179.25 181.61 1rw0 s SER 85 N -6.60 -0.41 -0.23 0.00 0.15 -1.26 -5.01 113.70 100.33 1rw0 s SER 85 Ca 0.00 0.68 0.14 0.00 0.70 0.00 0.00 55.95 57.48 1rw0 s SER 85 Cb 0.11 1.09 0.81 0.00 -1.71 0.00 0.00 66.02 66.32 1rw0 s SER 85 CO 0.74 -0.11 1.74 0.29 1.20 0.00 0.00 173.24 177.10 1rw0 n LYS 86 N 3.35 4.80 -2.26 5.44 5.02 -1.26 -4.83 118.16 128.42 1rw0 n LYS 86 Ca -0.17 -3.15 -0.33 0.00 -2.02 0.00 0.00 58.31 52.63 1rw0 n LYS 86 Cb 0.57 -2.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 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 -2.74 3.04 0.23 1.97 3.52 -1.26 -0.52 118.95 123.19 1rw0 s ARG 87 Ca 0.54 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 1rw0 s ARG 87 Cb 0.41 -5.28 -0.00 0.00 -1.56 0.00 0.00 34.95 28.52 1rw0 s ARG 87 CO 0.16 -3.12 0.45 0.00 -0.81 0.00 0.00 175.30 171.99 1rw0 s ALA 88 N 8.18 -0.21 -0.06 6.12 0.00 -0.94 -4.88 121.76 129.96 1rw0 s ALA 88 Ca 0.62 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1rw0 s ALA 88 Cb -0.01 1.05 0.12 0.00 0.00 0.00 0.00 23.12 24.28 1rw0 s ALA 88 CO 0.04 -0.82 1.01 -0.25 0.00 0.00 0.00 175.76 175.74 1rw0 n ASP 89 N -0.36 1.72 -3.56 0.00 8.00 -0.56 -3.40 116.55 118.39 1rw0 n ASP 89 Ca -0.02 -2.36 -0.13 0.00 0.71 0.00 0.00 54.79 52.98 1rw0 n ASP 89 Cb 0.62 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.58 -1.88 0.08 2.24 0.00 -1.16 0.08 121.76 119.53 1rw0 s ALA 90 Ca 0.14 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1rw0 s ALA 90 Cb 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1rw0 s ALA 90 CO 0.01 -0.33 -0.10 -1.54 0.00 0.00 0.00 175.76 173.80 1rw0 s SER 91 N -1.14 1.36 0.02 0.00 1.04 -0.39 0.16 113.70 114.74 1rw0 s SER 91 Ca -0.05 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.73 1rw0 s SER 91 Cb -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1rw0 s SER 91 CO 0.04 -0.21 -0.15 -0.47 0.98 0.00 0.00 173.24 173.43 1rw0 s TYR 92 N -1.94 1.36 -0.07 5.02 5.04 -0.53 -1.86 117.35 124.37 1rw0 s TYR 92 Ca 0.00 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.23 1rw0 s TYR 92 Cb -0.06 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.43 1rw0 s TYR 92 CO 0.01 0.02 0.25 0.45 -1.34 0.00 0.00 175.55 174.93 1rw0 s SER 93 N -0.76 -0.21 -0.03 4.32 0.15 -0.60 -0.60 113.70 115.96 1rw0 s SER 93 Ca 0.04 0.34 0.04 0.00 0.70 0.00 0.00 55.95 57.08 1rw0 s SER 93 Cb -0.07 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 1rw0 s SER 93 CO 0.00 -0.20 1.00 -0.46 1.20 0.00 0.00 173.24 174.79 1rw0 n ASN 94 N 2.41 0.60 -4.29 5.45 0.23 -1.26 -1.63 115.26 116.77 1rw0 n ASN 94 Ca -0.16 -2.18 -0.35 0.00 -0.53 0.00 0.00 54.58 51.35 1rw0 n ASN 94 Cb 0.57 -0.23 -0.14 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.70 3.39 0.32 5.53 2.01 -1.26 -4.93 115.64 119.99 1rw0 s THR 95 Ca 0.08 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1rw0 s THR 95 Cb 0.07 -2.63 -0.13 0.00 0.01 0.00 0.00 72.50 69.81 1rw0 s THR 95 CO 0.01 0.29 1.24 -2.65 -0.69 0.00 0.00 174.62 172.81 1rw0 n PRO 96 N 4.78 1.94 0.00 4.92 -0.02 -1.26 -2.20 135.00 143.16 1rw0 n PRO 96 Ca -0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1rw0 n PRO 96 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.01 2.55 3.72 -1.23 0.00 -0.08 -4.99 105.19 106.17 1rw0 n GLY 97 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.24 5.03 -0.27 2.61 2.01 -0.93 -4.08 115.64 117.76 1rw0 s THR 98 Ca 0.00 1.51 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 1rw0 s THR 98 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1rw0 s THR 98 CO 0.00 0.24 0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 1rw0 s VAL 99 N 0.83 5.17 0.00 3.82 1.01 -1.26 -4.20 120.40 125.76 1rw0 s VAL 99 Ca 0.39 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 1rw0 s VAL 99 Cb -0.18 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1rw0 s VAL 99 CO 0.19 0.27 0.56 0.00 0.00 0.00 0.00 175.10 176.12 1rw0 s ALA 101 N -0.41 -0.89 -0.01 0.00 0.00 -1.26 -1.61 121.76 117.58 1rw0 s ALA 101 Ca 0.29 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1rw0 s ALA 101 Cb -0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1rw0 s ALA 101 CO 0.17 -0.23 -0.08 0.14 0.00 0.00 0.00 175.76 175.76 1rw0 s VAL 102 N -0.67 0.61 -0.15 0.00 -7.23 -0.85 -4.60 120.40 107.51 1rw0 s VAL 102 Ca -0.08 -0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.71 1rw0 s VAL 102 Cb -0.04 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 1rw0 s VAL 102 CO 0.03 0.18 0.10 -0.32 -0.31 0.00 0.00 175.10 174.77 1rw0 s MET 103 N -0.11 3.72 0.20 4.82 1.75 -1.26 -1.63 119.30 126.79 1rw0 s MET 103 Ca 0.02 -0.25 -0.09 0.00 -1.25 0.00 0.00 55.69 54.12 1rw0 s MET 103 Cb -0.04 -3.20 -0.01 0.00 2.84 0.00 0.00 34.83 34.42 1rw0 s MET 103 CO -0.00 0.51 0.33 0.95 -0.65 0.00 0.00 175.02 176.15 1rw0 s THR 104 N -0.27 0.03 -0.39 10.11 -4.23 -0.03 -4.99 115.64 115.87 1rw0 s THR 104 Ca 0.10 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 1rw0 s THR 104 Cb -0.12 -2.10 0.35 0.00 1.34 0.00 0.00 72.50 71.97 1rw0 s THR 104 CO 0.01 -0.13 1.31 0.00 -0.54 0.00 0.00 174.62 175.28 1rw0 n ALA 105 N -0.29 0.70 0.00 3.99 0.00 -1.26 -0.53 120.51 123.13 1rw0 n ALA 105 Ca -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1rw0 n ALA 105 Cb 0.63 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.55 0.00 -4.76 0.00 8.00 -1.26 -1.34 116.55 116.64 1rw0 n ASP 106 Ca -0.06 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.09 1rw0 n ASP 106 Cb 0.82 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.95 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 -4.06 4.04 -0.06 0.00 2.96 -1.07 -4.65 118.68 115.84 1rw0 s LEU 108 Ca 0.76 1.48 -0.13 0.00 -0.22 0.00 0.00 54.13 56.02 1rw0 s LEU 108 Cb -0.29 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 1rw0 s LEU 108 CO 0.32 -0.92 0.33 -2.16 -1.32 0.00 0.00 176.35 172.61 1rw0 s PRO 109 N 3.84 3.90 -0.05 0.98 0.04 -1.26 0.05 135.00 142.49 1rw0 s PRO 109 Ca 0.56 0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1rw0 s PRO 109 Cb -0.20 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1rw0 s PRO 109 CO 0.19 0.60 -0.11 0.08 0.04 0.00 0.00 177.00 177.80 1rw0 s VAL 110 N -0.71 1.01 -0.07 -0.36 1.01 -0.05 -0.21 120.40 121.02 1rw0 s VAL 110 Ca 0.21 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1rw0 s VAL 110 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1rw0 s VAL 110 CO 0.10 0.32 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 1rw0 s LEU 111 N 0.55 3.08 0.11 3.92 1.43 -0.60 -0.13 118.68 127.03 1rw0 s LEU 111 Ca -0.11 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1rw0 s LEU 111 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1rw0 s LEU 111 CO 0.02 0.35 -0.16 -0.36 0.23 0.00 0.00 176.35 176.43 1rw0 s PHE 112 N -0.75 1.49 -0.18 0.29 0.08 0.11 -0.91 117.98 118.12 1rw0 s PHE 112 Ca 0.11 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.39 1rw0 s PHE 112 Cb -0.11 -0.80 0.12 0.00 -0.57 0.00 0.00 43.02 41.66 1rw0 s PHE 112 CO 0.01 0.16 0.99 0.00 -0.10 0.00 0.00 175.22 176.28 1rw0 s ASN 114 N -0.87 6.31 0.42 0.00 4.22 -1.04 -1.33 114.94 122.64 1rw0 s ASN 114 Ca -0.01 0.74 0.14 0.00 -2.14 0.00 0.00 52.86 51.58 1rw0 s ASN 114 Cb -0.01 -2.16 1.01 0.00 1.28 0.00 0.00 41.25 41.36 1rw0 s ASN 114 CO 0.01 -0.43 1.95 0.03 -2.04 0.00 0.00 177.10 176.62 1rw0 h ARG 115 N 0.62 0.44 0.00 3.55 3.08 -1.60 0.36 114.38 120.82 1rw0 h ARG 115 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1rw0 h ARG 115 Cb 1.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1rw0 h ARG 115 CO 0.62 0.29 0.00 0.93 -1.07 0.00 0.00 179.97 180.74 1rw0 h GLU 116 N 0.45 0.00 -3.75 0.04 4.39 -1.93 -3.43 114.58 110.34 1rw0 h GLU 116 Ca 0.32 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.83 1rw0 h GLU 116 Cb 0.64 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.37 1rw0 h GLU 116 CO -0.10 0.00 -0.38 0.41 -1.16 0.00 0.00 179.01 177.78 1rw0 n GLY 117 N 0.19 0.09 0.00 -3.84 0.00 0.11 -4.83 105.19 96.92 1rw0 n GLY 117 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.24 0.00 -3.84 2.61 -2.24 -1.26 -4.63 114.28 101.68 1rw0 n THR 118 Ca -0.07 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1rw0 n THR 118 Cb 0.56 1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.09 0.28 0.19 -0.78 2.02 -1.26 -4.57 118.70 114.49 1rw0 s GLU 119 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 54.97 54.88 1rw0 s GLU 119 Cb 0.00 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 1rw0 s GLU 119 CO 0.00 -0.05 0.32 0.14 0.02 0.00 0.00 175.26 175.69 1rw0 s VAL 120 N -0.46 0.04 -0.07 2.63 -7.23 -0.65 -2.50 120.40 112.17 1rw0 s VAL 120 Ca -0.05 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 1rw0 s VAL 120 Cb -0.04 -2.01 0.11 0.00 0.56 0.00 0.00 36.38 35.01 1rw0 s VAL 120 CO 0.01 -0.18 0.97 0.00 -0.31 0.00 0.00 175.10 175.59 1rw0 s ALA 121 N -4.00 -1.89 -0.02 1.32 0.00 -0.38 -1.56 121.76 115.23 1rw0 s ALA 121 Ca 0.21 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1rw0 s ALA 121 Cb 0.03 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1rw0 s ALA 121 CO 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 175.76 175.16 1rw0 s ALA 122 N -2.63 0.42 0.04 0.00 0.00 -0.78 0.09 121.76 118.90 1rw0 s ALA 122 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.96 1rw0 s ALA 122 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1rw0 s ALA 122 CO -0.06 0.05 -0.18 0.00 0.00 0.00 0.00 175.76 175.57 1rw0 s ALA 123 N 0.27 1.51 -0.39 0.00 0.00 0.81 -1.27 121.76 122.70 1rw0 s ALA 123 Ca -0.03 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1rw0 s ALA 123 Cb -0.06 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1rw0 s ALA 123 CO -0.00 0.33 0.24 -1.58 0.00 0.00 0.00 175.76 174.74 1rw0 s HIS 124 N -0.79 3.26 -0.71 0.00 5.65 0.11 -0.87 115.29 121.94 1rw0 s HIS 124 Ca 0.05 -1.00 0.03 0.00 0.25 0.00 0.00 55.06 54.39 1rw0 s HIS 124 Cb -0.08 -2.57 0.17 0.00 -1.18 0.00 0.00 32.58 28.92 1rw0 s HIS 124 CO 0.01 -0.68 0.51 0.00 -0.65 0.00 0.00 174.74 173.93 1rw0 s ALA 125 N 1.55 3.82 0.99 1.58 0.00 0.11 -4.79 121.76 125.02 1rw0 s ALA 125 Ca 0.02 -3.75 -0.15 0.00 0.00 0.00 0.00 51.96 48.08 1rw0 s ALA 125 Cb -0.20 -2.30 0.19 0.00 0.00 0.00 0.00 23.12 20.81 1rw0 s ALA 125 CO 0.06 -2.10 1.21 0.20 0.00 0.00 0.00 175.76 175.14 1rw0 s GLY 126 N -1.00 1.66 0.38 0.00 0.00 -1.26 -2.59 107.32 104.51 1rw0 s GLY 126 Ca 0.24 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 44.11 1rw0 s GLY 126 CO -0.13 -0.20 2.01 0.11 0.00 0.00 0.00 173.10 174.89 1rw0 h TRP 127 N -1.75 0.66 0.46 1.90 5.08 -1.97 -0.73 115.95 119.60 1rw0 h TRP 127 Ca -0.46 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.50 1rw0 h TRP 127 Cb 1.28 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1rw0 h TRP 127 CO -0.84 0.39 -0.22 0.00 -1.28 0.00 0.00 178.44 176.49 1rw0 h ARG 128 N 0.69 -0.60 -0.62 0.12 3.08 -1.91 -0.66 114.38 114.47 1rw0 h ARG 128 Ca 0.24 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1rw0 h ARG 128 Cb 0.09 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1rw0 h ARG 128 CO -0.06 -0.33 0.23 0.78 -1.07 0.00 0.00 179.97 179.52 1rw0 h GLY 129 N -0.79 1.00 0.72 0.04 0.00 -1.49 -0.21 103.07 102.34 1rw0 h GLY 129 Ca -0.06 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 46.75 1rw0 h GLY 129 CO 0.10 0.52 0.24 -2.00 0.00 0.00 0.00 176.54 175.41 1rw0 h LEU 130 N 0.87 0.34 -0.81 3.11 5.85 -1.13 -0.12 115.31 123.42 1rw0 h LEU 130 Ca 0.20 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1rw0 h LEU 130 Cb 0.23 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1rw0 h LEU 130 CO -0.01 0.24 0.10 0.00 -0.34 0.00 0.00 178.44 178.42 1rw0 h GLU 132 N 0.93 0.00 0.00 0.00 4.39 -0.29 -3.47 114.58 116.14 1rw0 h GLU 132 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1rw0 h GLU 132 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1rw0 h GLU 132 CO 0.01 0.41 0.00 0.41 -1.16 0.00 0.00 179.01 178.68 1rw0 n GLY 133 N -0.29 1.51 0.23 -3.84 0.00 -0.16 -5.00 105.19 97.64 1rw0 n GLY 133 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 1.26 -0.23 1.61 3.04 -1.46 -1.38 116.25 119.09 1rw0 h VAL 134 Ca 0.00 -1.23 -0.20 0.00 -1.01 0.00 0.00 66.70 64.26 1rw0 h VAL 134 Cb 0.00 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1rw0 h VAL 134 CO 0.00 0.39 -0.64 -0.07 -1.01 0.00 0.00 177.57 176.24 1rw0 h LEU 135 N 0.37 0.95 -0.72 3.16 3.38 -1.86 -1.90 115.31 118.69 1rw0 h LEU 135 Ca 0.06 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 1rw0 h LEU 135 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rw0 h LEU 135 CO 0.05 1.35 -0.01 -0.33 0.09 0.00 0.00 178.44 179.59 1rw0 h GLU 136 N 0.61 0.98 -0.46 1.13 3.07 -1.86 -1.73 114.58 116.32 1rw0 h GLU 136 Ca -0.01 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.46 1rw0 h GLU 136 Cb 1.25 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1rw0 h GLU 136 CO 0.14 0.97 -0.07 0.93 -1.40 0.00 0.00 179.01 179.57 1rw0 h GLU 137 N 0.90 0.80 -0.22 2.33 4.39 -1.22 -2.12 114.58 119.45 1rw0 h GLU 137 Ca 0.16 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1rw0 h GLU 137 Cb 0.53 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1rw0 h GLU 137 CO 0.03 0.86 0.04 1.15 -1.16 0.00 0.00 179.01 179.93 1rw0 h THR 138 N 0.74 1.22 -0.87 1.13 2.02 -1.00 -3.00 112.91 113.15 1rw0 h THR 138 Ca 0.13 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1rw0 h THR 138 Cb 0.55 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1rw0 h THR 138 CO 0.03 0.23 0.46 0.58 0.37 0.00 0.00 175.52 177.19 1rw0 h VAL 139 N 0.17 1.26 0.00 3.16 2.07 -1.21 -2.38 116.25 119.31 1rw0 h VAL 139 Ca 0.07 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1rw0 h VAL 139 Cb 0.31 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1rw0 h VAL 139 CO 0.00 0.29 -0.02 0.71 0.02 0.00 0.00 177.57 178.58 1rw0 h THR 140 N 1.22 0.26 0.00 2.57 1.35 -1.25 -1.23 112.91 115.82 1rw0 h THR 140 Ca 0.30 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 1rw0 h THR 140 Cb 0.05 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1rw0 h THR 140 CO -0.05 0.02 -0.12 0.00 -0.25 0.00 0.00 175.52 175.12 1rw0 s PHE 142 N -3.82 3.03 0.00 0.00 0.08 -0.47 -4.94 117.98 111.86 1rw0 s PHE 142 Ca -0.00 1.58 0.07 0.00 0.12 0.00 0.00 56.93 58.70 1rw0 s PHE 142 Cb 0.11 -3.26 -0.23 0.00 -0.57 0.00 0.00 43.02 39.07 1rw0 s PHE 142 CO 0.58 -1.12 0.85 0.00 -0.10 0.00 0.00 175.22 175.43 1rw0 h ALA 143 N 2.15 0.55 -2.30 5.36 0.00 -1.87 -3.47 119.26 119.69 1rw0 h ALA 143 Ca -0.49 -1.25 -0.48 0.00 0.00 0.00 0.00 54.91 52.69 1rw0 h ALA 143 Cb 1.23 0.29 0.16 0.00 0.00 0.00 0.00 17.79 19.48 1rw0 h ALA 143 CO 0.61 1.40 0.20 0.34 0.00 0.00 0.00 179.25 181.81 1rw0 s ASP 144 N -6.47 2.96 0.45 0.00 -1.08 -1.26 -5.00 116.67 106.27 1rw0 s ASP 144 Ca -0.05 1.57 -0.22 0.00 -0.52 0.00 0.00 52.55 53.34 1rw0 s ASP 144 Cb 0.08 -2.23 -0.08 0.00 -1.46 0.00 0.00 42.92 39.22 1rw0 s ASP 144 CO 0.83 -2.98 1.05 -0.54 0.52 0.00 0.00 175.17 174.05 1rw0 s LYS 145 N -4.82 3.92 0.28 4.34 1.02 -1.26 -4.95 119.74 118.27 1rw0 s LYS 145 Ca 0.65 1.46 0.01 0.00 0.02 0.00 0.00 55.97 58.10 1rw0 s LYS 145 Cb -0.20 -2.28 0.55 0.00 -0.52 0.00 0.00 37.83 35.38 1rw0 s LYS 145 CO 0.58 -0.34 1.82 -1.35 -0.92 0.00 0.00 175.35 175.14 1rw0 h PRO 146 N 1.94 0.91 0.00 -1.68 0.11 -1.87 -0.52 132.00 130.89 1rw0 h PRO 146 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1rw0 h PRO 146 Cb 1.22 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rw0 h PRO 146 CO 0.60 0.60 -0.01 1.05 -0.21 0.00 0.00 178.00 180.03 1rw0 h GLU 147 N 0.94 0.00 -0.12 1.05 4.11 -1.88 0.83 114.58 119.51 1rw0 h GLU 147 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1rw0 h GLU 147 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1rw0 h GLU 147 CO -0.28 0.01 0.00 0.09 0.07 0.00 0.00 179.01 178.90 1rw0 n ASN 148 N -3.40 1.81 -4.64 3.06 3.02 -0.21 -4.64 115.26 110.27 1rw0 n ASN 148 Ca -0.03 -1.67 -0.36 0.00 -0.03 0.00 0.00 54.58 52.49 1rw0 n ASN 148 Cb 0.10 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.86 5.22 0.06 2.41 1.01 0.29 -1.36 121.20 126.96 1rw0 s ILE 149 Ca 0.35 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.15 1rw0 s ILE 149 Cb 0.19 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1rw0 s ILE 149 CO 0.30 0.36 0.08 0.27 0.00 0.00 0.00 174.94 175.94 1rw0 s ILE 150 N 1.01 4.55 0.06 2.92 -4.36 -0.44 -4.43 121.20 120.50 1rw0 s ILE 150 Ca 0.07 -0.70 0.05 0.00 -0.26 0.00 0.00 60.65 59.81 1rw0 s ILE 150 Cb -0.13 -3.17 -0.03 0.00 1.25 0.00 0.00 42.46 40.38 1rw0 s ILE 150 CO 0.04 0.17 -0.15 0.00 0.24 0.00 0.00 174.94 175.24 1rw0 s ALA 151 N -1.35 1.29 -0.16 2.27 0.00 -0.84 -2.57 121.76 120.40 1rw0 s ALA 151 Ca 0.28 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1rw0 s ALA 151 Cb -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1rw0 s ALA 151 CO 0.20 0.23 -0.17 -0.46 0.00 0.00 0.00 175.76 175.56 1rw0 s TRP 152 N -1.00 2.49 -0.29 0.00 -0.11 -0.09 0.42 118.94 120.34 1rw0 s TRP 152 Ca 0.01 -1.43 -0.23 0.00 1.22 0.00 0.00 56.10 55.68 1rw0 s TRP 152 Cb -0.09 -1.76 -0.00 0.00 -1.50 0.00 0.00 33.47 30.12 1rw0 s TRP 152 CO 0.02 -0.73 0.74 -0.51 -4.62 0.00 0.00 176.95 171.85 1rw0 s LEU 153 N 1.34 4.10 0.83 5.86 1.43 0.51 -1.56 118.68 131.18 1rw0 s LEU 153 Ca 0.04 0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 1rw0 s LEU 153 Cb -0.13 -3.01 0.13 0.00 0.03 0.00 0.00 46.19 43.21 1rw0 s LEU 153 CO -0.11 -0.55 1.16 -0.83 0.23 0.00 0.00 176.35 176.25 1rw0 s GLY 154 N 1.58 1.72 0.05 -3.19 0.00 0.70 -1.55 107.32 106.63 1rw0 s GLY 154 Ca 0.30 -1.11 -0.33 0.00 0.00 0.00 0.00 44.72 43.58 1rw0 s GLY 154 CO 0.11 -0.53 1.79 -1.05 0.00 0.00 0.00 173.10 173.43 1rw0 n PRO 155 N -3.30 2.41 -4.26 2.90 -0.02 -1.26 -4.47 135.00 126.99 1rw0 n PRO 155 Ca 0.12 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.29 1rw0 n PRO 155 Cb 0.60 -2.72 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.81 1.74 -0.01 3.55 0.00 -1.26 -4.57 121.76 124.02 1rw0 s ALA 156 Ca 0.85 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1rw0 s ALA 156 Cb -0.61 1.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1rw0 s ALA 156 CO 0.43 -0.68 1.21 -1.50 0.00 0.00 0.00 175.76 175.22 1rw0 s ILE 157 N -3.39 4.16 0.67 0.00 2.07 -0.24 -0.84 121.20 123.64 1rw0 s ILE 157 Ca 0.40 1.52 -0.11 0.00 -1.41 0.00 0.00 60.65 61.04 1rw0 s ILE 157 Cb 0.02 -3.97 -0.01 0.00 0.13 0.00 0.00 42.46 38.63 1rw0 s ILE 157 CO 0.27 0.04 1.06 -0.83 -1.91 0.00 0.00 174.94 173.58 1rw0 s GLY 158 N 1.35 1.65 0.33 1.50 0.00 -1.26 -4.66 107.32 106.23 1rw0 s GLY 158 Ca 0.57 -0.19 0.08 0.00 0.00 0.00 0.00 44.72 45.18 1rw0 s GLY 158 CO 0.25 0.14 1.84 -0.56 0.00 0.00 0.00 173.10 174.76 1rw0 h PRO 159 N -0.54 0.72 0.00 2.90 0.13 -1.92 0.21 132.00 133.50 1rw0 h PRO 159 Ca -0.45 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rw0 h PRO 159 Cb 1.22 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1rw0 h PRO 159 CO 0.62 0.48 -0.01 0.00 -0.23 0.00 0.00 178.00 178.86 1rw0 h ALA 160 N 1.60 1.31 0.00 -0.56 0.00 -1.94 -3.17 119.26 116.50 1rw0 h ALA 160 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1rw0 h ALA 160 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1rw0 h ALA 160 CO -0.26 0.01 -0.69 0.00 0.00 0.00 0.00 179.25 178.31 1rw0 n ALA 161 N -2.23 2.13 -2.36 0.00 0.00 -0.08 -4.90 120.51 113.07 1rw0 n ALA 161 Ca -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1rw0 n ALA 161 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 1rw0 n ALA 161 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rw0 n PHE 162 N -1.36 4.31 -2.80 0.00 7.35 0.54 -4.95 117.46 120.55 1rw0 n PHE 162 Ca -0.00 -2.78 -0.42 0.00 -0.76 0.00 0.00 57.45 53.49 1rw0 n PHE 162 Cb 0.04 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.23 1rw0 n PHE 162 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1rw0 s GLU 163 N 4.15 4.39 0.13 -4.13 2.12 -1.26 -1.19 118.70 122.91 1rw0 s GLU 163 Ca 0.53 1.21 0.06 0.00 0.36 0.00 0.00 54.97 57.13 1rw0 s GLU 163 Cb 0.06 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1rw0 s GLU 163 CO 0.05 -0.26 -0.13 0.14 -0.54 0.00 0.00 175.26 174.52 1rw0 s VAL 164 N 1.86 1.33 0.68 3.70 -7.23 0.68 -4.96 120.40 116.46 1rw0 s VAL 164 Ca 0.44 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1rw0 s VAL 164 Cb -0.18 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.14 1rw0 s VAL 164 CO 0.17 -0.49 1.06 -0.83 -0.31 0.00 0.00 175.10 174.70 1rw0 s GLY 165 N -2.65 1.63 0.64 2.32 0.00 -1.26 -1.22 107.32 106.77 1rw0 s GLY 165 Ca 0.11 -0.38 0.31 0.00 0.00 0.00 0.00 44.72 44.76 1rw0 s GLY 165 CO 0.03 -0.03 1.99 -0.56 0.00 0.00 0.00 173.10 174.53 1rw0 h PRO 166 N -0.55 0.00 -0.56 2.90 0.13 -1.94 -1.50 132.00 130.47 1rw0 h PRO 166 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1rw0 h PRO 166 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1rw0 h PRO 166 CO 0.63 0.00 0.09 1.05 -0.23 0.00 0.00 178.00 179.54 1rw0 h GLU 167 N 0.00 0.90 -0.21 0.86 9.09 -1.99 0.10 114.58 123.34 1rw0 h GLU 167 Ca 0.05 -0.22 -0.04 0.00 0.05 0.00 0.00 59.36 59.20 1rw0 h GLU 167 Cb 0.66 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 1rw0 h GLU 167 CO -0.00 0.84 -0.04 0.28 0.05 0.00 0.00 179.01 180.14 1rw0 h VAL 168 N 0.86 1.28 -0.40 -1.06 2.07 -1.64 -1.76 116.25 115.60 1rw0 h VAL 168 Ca 0.18 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1rw0 h VAL 168 Cb 0.39 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1rw0 h VAL 168 CO 0.01 0.31 0.26 -0.09 0.02 0.00 0.00 177.57 178.08 1rw0 h ARG 169 N 0.13 0.53 -0.97 1.57 2.43 -1.52 -2.55 114.38 114.00 1rw0 h ARG 169 Ca 0.05 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1rw0 h ARG 169 Cb 0.49 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1rw0 h ARG 169 CO 0.02 0.36 0.63 -0.44 -1.51 0.00 0.00 179.97 179.03 1rw0 h ASP 170 N 0.54 1.13 0.07 -3.80 3.32 -0.72 -1.10 116.42 115.85 1rw0 h ASP 170 Ca 0.15 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1rw0 h ASP 170 Cb -0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1rw0 h ASP 170 CO -0.03 0.83 -0.10 0.00 -1.72 0.00 0.00 179.24 178.22 1rw0 h ALA 171 N 1.37 -0.16 -0.72 3.45 0.00 -0.98 -0.19 119.26 122.02 1rw0 h ALA 171 Ca 0.35 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1rw0 h ALA 171 Cb -0.13 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1rw0 h ALA 171 CO -0.07 -0.61 0.21 0.74 0.00 0.00 0.00 179.25 179.51 1rw0 h PHE 172 N -0.20 1.19 -0.43 0.00 0.04 -1.18 -2.26 116.94 114.10 1rw0 h PHE 172 Ca 0.01 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1rw0 h PHE 172 Cb 0.21 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1rw0 h PHE 172 CO -0.13 0.95 0.21 -0.07 -0.60 0.00 0.00 178.31 178.67 1rw0 h LEU 173 N 1.08 0.52 -1.49 1.54 4.07 -0.95 -0.52 115.31 119.56 1rw0 h LEU 173 Ca 0.23 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.16 1rw0 h LEU 173 Cb 0.33 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1rw0 h LEU 173 CO -0.00 0.45 0.35 0.00 -1.08 0.00 0.00 178.44 178.15 1rw0 h ALA 174 N 1.64 1.64 0.20 1.53 0.00 -0.43 -2.80 119.26 121.04 1rw0 h ALA 174 Ca 0.15 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 1rw0 h ALA 174 Cb 0.06 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rw0 h ALA 174 CO -0.02 0.33 -1.24 0.87 0.00 0.00 0.00 179.25 179.18 1rw0 h LYS 175 N 0.70 0.42 -2.12 0.00 1.79 -1.13 -3.46 116.57 112.77 1rw0 h LYS 175 Ca 0.20 -0.73 0.04 0.00 -2.18 0.00 0.00 60.65 57.98 1rw0 h LYS 175 Cb -0.05 0.27 -0.22 0.00 -1.58 0.00 0.00 32.23 30.65 1rw0 h LYS 175 CO -0.04 1.35 -0.18 0.34 -1.08 0.00 0.00 179.45 179.83 1rw0 s ASP 176 N -7.30 -0.94 0.66 0.86 -1.08 -0.31 -5.02 116.67 103.54 1rw0 s ASP 176 Ca -0.12 1.44 0.41 0.00 -0.52 0.00 0.00 52.55 53.77 1rw0 s ASP 176 Cb 0.03 2.05 2.27 0.00 -1.46 0.00 0.00 42.92 45.81 1rw0 s ASP 176 CO 0.89 -0.22 2.30 0.00 0.52 0.00 0.00 175.17 178.66 1rw0 h ALA 177 N 7.99 1.11 0.00 3.66 0.00 -1.81 -1.25 119.26 128.97 1rw0 h ALA 177 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rw0 h ALA 177 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rw0 h ALA 177 CO 0.11 -0.05 0.00 1.96 0.00 0.00 0.00 179.25 181.27 1rw0 h GLN 178 N 0.00 0.00 0.00 0.00 1.08 -1.92 -2.96 115.11 111.31 1rw0 h GLN 178 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rw0 h GLN 178 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1rw0 h GLN 178 CO -0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1rw0 n ALA 179 N -1.89 1.49 0.30 3.87 0.00 -0.47 -2.53 120.51 121.29 1rw0 n ALA 179 Ca 0.03 0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.70 1rw0 n ALA 179 Cb 0.33 -1.29 0.96 0.00 0.00 0.00 0.00 19.45 19.44 1rw0 n ALA 179 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1rw0 h ASP 180 N 0.00 0.00 0.72 0.00 3.58 -1.72 -1.41 116.42 117.59 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 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1rw0 h ASP 180 CO 0.00 0.03 0.00 0.28 -2.88 0.00 0.00 179.24 176.67 1rw0 h SER 181 N 0.00 0.00 -0.10 2.28 0.02 -1.76 -2.75 113.55 111.23 1rw0 h SER 181 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rw0 h SER 181 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1rw0 h SER 181 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1rw0 n ALA 182 N -1.96 2.54 -4.10 3.77 0.00 -0.53 -4.82 120.51 115.41 1rw0 n ALA 182 Ca 0.01 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 1rw0 n ALA 182 Cb 0.23 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.88 2.78 -0.20 0.00 0.08 -1.04 -1.43 117.98 116.30 1rw0 s PHE 183 Ca 0.35 -1.70 -0.08 0.00 0.12 0.00 0.00 56.93 55.62 1rw0 s PHE 183 Cb 0.19 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1rw0 s PHE 183 CO 0.30 -0.80 0.07 -1.17 -0.10 0.00 0.00 175.22 173.51 1rw0 s LEU 184 N 1.29 3.80 0.22 -0.37 2.96 -0.59 -4.90 118.68 121.09 1rw0 s LEU 184 Ca 0.03 0.05 -0.32 0.00 -0.22 0.00 0.00 54.13 53.67 1rw0 s LEU 184 Cb -0.14 -1.97 -0.13 0.00 0.50 0.00 0.00 46.19 44.45 1rw0 s LEU 184 CO -0.12 0.14 1.58 -2.65 -1.32 0.00 0.00 176.35 173.98 1rw0 n PRO 185 N 3.77 2.41 -3.48 0.98 -0.02 -1.26 -0.58 135.00 136.82 1rw0 n PRO 185 Ca -0.16 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 1rw0 n PRO 185 Cb 0.52 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.52 0.80 0.00 6.00 2.46 0.31 -4.80 115.29 120.57 1rw0 s HIS 186 Ca 0.72 -1.66 0.00 0.00 0.47 0.00 0.00 55.06 54.59 1rw0 s HIS 186 Cb -0.58 -0.99 0.00 0.00 -0.13 0.00 0.00 32.58 30.88 1rw0 s HIS 186 CO 0.42 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 172.27 1rw0 n GLY 187 N 4.04 3.31 0.54 1.59 0.00 -1.26 -0.71 105.19 112.70 1rw0 n GLY 187 Ca 0.11 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 13.53 1.65 -0.17 1.61 4.07 -1.26 -4.92 120.64 135.14 1rw0 n GLU 188 Ca 0.00 -1.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.01 1rw0 n GLU 188 Cb 0.00 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 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 0.27 3.67 -3.93 5.31 5.02 0.11 -4.63 118.16 123.98 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 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.97 0.20 -0.33 2.13 0.08 -0.36 -0.53 117.98 120.15 1rw0 s PHE 190 Ca 0.00 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 1rw0 s PHE 190 Cb 0.00 -0.15 0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1rw0 s PHE 190 CO 0.00 -0.34 0.15 -0.51 -0.10 0.00 0.00 175.22 174.41 1rw0 s LEU 191 N -2.03 4.22 -0.10 -0.37 1.43 0.26 -0.23 118.68 121.85 1rw0 s LEU 191 Ca -0.06 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1rw0 s LEU 191 Cb -0.02 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1rw0 s LEU 191 CO -0.04 -0.25 0.12 0.00 0.23 0.00 0.00 176.35 176.42 1rw0 s ALA 192 N 1.56 3.80 -0.56 4.21 0.00 -0.33 -1.54 121.76 128.90 1rw0 s ALA 192 Ca 0.03 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1rw0 s ALA 192 Cb -0.18 -1.89 0.14 0.00 0.00 0.00 0.00 23.12 21.19 1rw0 s ALA 192 CO 0.05 0.63 0.52 0.34 0.00 0.00 0.00 175.76 177.30 1rw0 s ASP 193 N -1.09 6.22 0.45 0.00 -1.08 -0.51 -3.85 116.67 116.81 1rw0 s ASP 193 Ca 0.16 -1.87 0.19 0.00 -0.52 0.00 0.00 52.55 50.50 1rw0 s ASP 193 Cb -0.12 -2.20 1.07 0.00 -1.46 0.00 0.00 42.92 40.21 1rw0 s ASP 193 CO 0.05 -0.83 1.97 -0.29 0.52 0.00 0.00 175.17 176.59 1rw0 h ILE 194 N 5.80 0.96 -0.27 4.11 2.10 -1.89 -2.47 117.51 125.86 1rw0 h ILE 194 Ca -0.26 -0.78 -0.10 0.00 1.08 0.00 0.00 64.86 64.79 1rw0 h ILE 194 Cb 1.09 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 38.27 1rw0 h ILE 194 CO 1.01 0.21 -0.24 1.88 -1.08 0.00 0.00 178.15 179.93 1rw0 h TYR 195 N 0.00 0.76 -0.66 2.19 0.05 -1.91 -0.96 116.97 116.44 1rw0 h TYR 195 Ca -0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 1rw0 h TYR 195 Cb 0.43 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1rw0 h TYR 195 CO 0.00 0.94 0.39 0.37 -1.05 0.00 0.00 178.16 178.81 1rw0 h GLN 196 N 0.36 0.90 -0.68 4.88 4.15 -1.92 0.11 115.11 122.91 1rw0 h GLN 196 Ca 0.05 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1rw0 h GLN 196 Cb 0.79 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1rw0 h GLN 196 CO 0.06 0.64 0.32 -0.07 -1.93 0.00 0.00 178.83 177.85 1rw0 h LEU 197 N 0.89 0.90 -0.62 -2.39 3.38 -1.34 -0.87 115.31 115.26 1rw0 h LEU 197 Ca 0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1rw0 h LEU 197 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1rw0 h LEU 197 CO -0.04 0.79 0.13 0.00 0.09 0.00 0.00 178.44 179.41 1rw0 h ALA 198 N 1.15 0.82 -0.29 1.53 0.00 -0.55 -1.88 119.26 120.04 1rw0 h ALA 198 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rw0 h ALA 198 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rw0 h ALA 198 CO -0.03 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.64 1rw0 h ARG 199 N 0.92 0.48 0.27 0.00 3.08 -0.44 -0.02 114.38 118.66 1rw0 h ARG 199 Ca 0.19 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1rw0 h ARG 199 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1rw0 h ARG 199 CO 0.01 0.61 -0.13 1.96 -1.07 0.00 0.00 179.97 181.34 1rw0 h GLN 200 N 0.45 -0.35 -0.71 0.04 4.20 -0.81 -0.70 115.11 117.23 1rw0 h GLN 200 Ca 0.08 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1rw0 h GLN 200 Cb 0.49 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1rw0 h GLN 200 CO 0.03 -0.09 0.39 0.00 -0.67 0.00 0.00 178.83 178.49 1rw0 h ARG 201 N -0.58 0.99 -0.57 1.46 2.47 -1.23 -1.58 114.38 115.34 1rw0 h ARG 201 Ca -0.04 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1rw0 h ARG 201 Cb 0.42 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1rw0 h ARG 201 CO 0.06 0.73 0.30 -0.07 0.56 0.00 0.00 179.97 181.55 1rw0 h LEU 202 N 0.97 0.72 -0.90 3.04 3.38 -0.94 -2.23 115.31 119.35 1rw0 h LEU 202 Ca 0.25 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rw0 h LEU 202 Cb 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1rw0 h LEU 202 CO -0.04 0.61 0.59 0.00 0.09 0.00 0.00 178.44 179.69 1rw0 h ALA 203 N 1.13 1.15 -0.84 1.53 0.00 -0.79 -2.10 119.26 119.34 1rw0 h ALA 203 Ca 0.20 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1rw0 h ALA 203 Cb 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1rw0 h ALA 203 CO -0.03 0.52 0.55 -0.91 0.00 0.00 0.00 179.25 179.38 1rw0 h ASN 204 N 1.20 0.47 1.14 0.00 2.35 -0.68 -0.21 115.58 119.85 1rw0 h ASN 204 Ca 0.33 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1rw0 h ASN 204 Cb -0.11 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1rw0 h ASN 204 CO -0.08 0.23 -0.19 0.35 -1.65 0.00 0.00 177.43 176.09 1rw0 n THR 205 N -4.51 0.35 0.00 2.81 -2.24 -0.83 -4.92 114.28 104.93 1rw0 n THR 205 Ca 0.17 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1rw0 n THR 205 Cb 0.56 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.38 0.69 3.73 3.38 0.00 -0.09 -4.73 105.19 109.55 1rw0 n GLY 206 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.03 -0.15 1.61 1.01 -0.95 -3.28 120.40 119.66 1rw0 s VAL 207 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1rw0 s VAL 207 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 1rw0 s VAL 207 CO 0.00 0.10 -0.14 -0.62 0.00 0.00 0.00 175.10 174.45 1rw0 n GLU 208 N 2.97 0.37 -3.41 2.72 1.02 -1.26 -3.87 120.64 119.18 1rw0 n GLU 208 Ca 0.08 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1rw0 n GLU 208 Cb 0.42 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.30 3.22 -0.08 -0.32 3.76 -1.26 -5.04 115.29 113.26 1rw0 s HIS 209 Ca -0.20 -0.62 0.05 0.00 -0.15 0.00 0.00 55.06 54.14 1rw0 s HIS 209 Cb 0.05 -2.79 -0.00 0.00 1.11 0.00 0.00 32.58 30.95 1rw0 s HIS 209 CO 0.34 -0.66 -0.24 0.08 -0.85 0.00 0.00 174.74 173.40 1rw0 s VAL 210 N 1.78 2.06 0.44 -0.90 1.01 -1.26 -1.98 120.40 121.55 1rw0 s VAL 210 Ca 0.06 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1rw0 s VAL 210 Cb -0.20 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1rw0 s VAL 210 CO 0.10 0.56 0.18 -0.31 0.00 0.00 0.00 175.10 175.63 1rw0 s TYR 211 N 0.16 2.42 0.00 5.22 2.02 0.17 -4.98 117.35 122.36 1rw0 s TYR 211 Ca -0.13 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1rw0 s TYR 211 Cb -0.16 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1rw0 s TYR 211 CO 0.07 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.60 1rw0 n GLY 212 N -1.28 0.39 1.18 0.71 0.00 -1.26 -0.36 105.19 104.56 1rw0 n GLY 212 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.75 1.01 -0.02 0.00 -0.60 -4.79 105.19 101.53 1rw0 n GLY 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.66 -3.45 1.61 3.85 -1.26 -4.95 116.55 115.00 1rw0 n ASP 214 Ca 0.00 -1.76 -0.09 0.00 -0.71 0.00 0.00 54.79 52.23 1rw0 n ASP 214 Cb 0.00 -0.44 -0.01 0.00 -1.35 0.00 0.00 41.12 39.31 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 0.12 1.93 -0.28 0.11 1.81 -1.26 -5.01 118.95 116.37 1rw0 s ARG 215 Ca 0.00 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1rw0 s ARG 215 Cb 0.00 0.57 0.14 0.00 -0.45 0.00 0.00 34.95 35.21 1rw0 s ARG 215 CO 0.00 -0.87 0.35 0.00 -0.68 0.00 0.00 175.30 174.10 1rw0 h THR 217 N 6.22 1.00 0.02 0.00 1.35 -1.32 -1.47 112.91 118.70 1rw0 h THR 217 Ca -0.12 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1rw0 h THR 217 Cb 1.10 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1rw0 h THR 217 CO 0.30 0.02 -0.01 0.15 -0.25 0.00 0.00 175.52 175.73 1rw0 h PHE 218 N 0.09 -0.02 -0.19 4.73 3.57 -1.87 -3.35 116.94 119.89 1rw0 h PHE 218 Ca 0.04 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1rw0 h PHE 218 Cb 0.04 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1rw0 h PHE 218 CO -0.00 0.44 -0.37 0.77 -2.23 0.00 0.00 178.31 176.91 1rw0 h SER 219 N -0.49 0.66 -0.57 0.41 0.02 -1.91 -3.34 113.55 108.32 1rw0 h SER 219 Ca -0.00 -0.55 -0.71 0.00 -0.84 0.00 0.00 61.79 59.69 1rw0 h SER 219 Cb 0.47 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1rw0 h SER 219 CO 0.00 1.08 2.98 -0.62 -1.14 0.00 0.00 176.83 179.14 1rw0 n GLU 220 N -4.27 3.76 0.29 3.45 1.02 -0.57 -4.71 120.64 119.60 1rw0 n GLU 220 Ca -0.06 -2.88 0.15 0.00 -0.02 0.00 0.00 57.16 54.35 1rw0 n GLU 220 Cb 0.52 -2.88 0.88 0.00 -0.02 0.00 0.00 31.44 29.94 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 5.23 0.00 1.60 1.62 4.64 -1.75 0.44 113.55 125.34 1rw0 h SER 221 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1rw0 h SER 221 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rw0 h SER 221 CO 1.70 0.03 0.00 1.05 -0.87 0.00 0.00 176.83 178.74 1rw0 h GLU 222 N 0.00 0.00 0.00 4.77 9.09 -1.94 -3.35 114.58 123.15 1rw0 h GLU 222 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.19 1rw0 h GLU 222 Cb 0.09 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.15 1rw0 h GLU 222 CO 0.00 0.00 -1.84 2.41 0.05 0.00 0.00 179.01 179.64 1rw0 n THR 223 N -2.95 0.84 -4.30 -1.06 -1.04 -0.35 -4.73 114.28 100.69 1rw0 n THR 223 Ca 0.03 -0.45 -0.20 0.00 -2.04 0.00 0.00 64.05 61.40 1rw0 n THR 223 Cb 0.44 -0.81 -0.11 0.00 -1.82 0.00 0.00 70.33 68.03 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 -2.30 1.63 0.39 -1.42 0.08 0.00 -1.13 117.98 115.24 1rw0 s PHE 224 Ca -0.11 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 1rw0 s PHE 224 Cb 0.04 -0.82 -0.07 0.00 -0.57 0.00 0.00 43.02 41.60 1rw0 s PHE 224 CO 0.44 0.25 0.78 -0.06 -0.10 0.00 0.00 175.22 176.53 1rw0 s PHE 225 N -2.21 3.45 -0.16 0.36 0.08 -1.26 -4.52 117.98 113.71 1rw0 s PHE 225 Ca 0.14 1.11 -0.05 0.00 0.12 0.00 0.00 56.93 58.25 1rw0 s PHE 225 Cb -0.05 -2.48 0.08 0.00 -0.57 0.00 0.00 43.02 40.00 1rw0 s PHE 225 CO 0.05 -0.08 0.30 0.45 -0.10 0.00 0.00 175.22 175.84 1rw0 s SER 226 N -2.97 0.35 0.20 1.36 0.15 -1.26 -4.47 113.70 107.06 1rw0 s SER 226 Ca 0.52 0.53 -0.09 0.00 0.70 0.00 0.00 55.95 57.61 1rw0 s SER 226 Cb -0.10 0.82 0.12 0.00 -1.71 0.00 0.00 66.02 65.15 1rw0 s SER 226 CO 0.28 -0.26 1.75 0.22 1.20 0.00 0.00 173.24 176.44 1rw0 h TYR 227 N 8.26 1.12 -0.47 3.44 3.20 -1.34 0.20 116.97 131.38 1rw0 h TYR 227 Ca -0.15 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.54 1rw0 h TYR 227 Cb 1.12 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1rw0 h TYR 227 CO 0.30 0.87 -0.05 -0.09 -1.64 0.00 0.00 178.16 177.55 1rw0 h ARG 228 N 1.04 0.80 -0.00 1.82 9.65 -1.94 -3.09 114.38 122.67 1rw0 h ARG 228 Ca 0.24 -0.24 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1rw0 h ARG 228 Cb 0.25 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1rw0 h ARG 228 CO -0.01 0.84 -0.01 -0.09 2.80 0.00 0.00 179.97 183.50 1rw0 h ARG 229 N 0.74 0.01 -4.50 0.20 2.43 -1.86 -3.43 114.38 107.96 1rw0 h ARG 229 Ca 0.13 -0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.69 1rw0 h ARG 229 Cb 0.52 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 29.70 1rw0 h ARG 229 CO 0.03 0.76 -0.81 -0.51 -1.51 0.00 0.00 179.97 177.93 1rw0 s ASP 230 N -5.97 3.37 0.13 -3.80 1.01 0.67 -5.02 116.67 107.06 1rw0 s ASP 230 Ca -0.17 -0.89 -0.23 0.00 0.71 0.00 0.00 52.55 51.97 1rw0 s ASP 230 Cb -0.01 -1.19 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 1rw0 s ASP 230 CO 0.68 -0.16 1.66 0.50 0.21 0.00 0.00 175.17 178.07 1rw0 h LYS 231 N 7.99 -0.21 -5.18 8.23 3.64 -1.78 -3.35 116.57 125.91 1rw0 h LYS 231 Ca -0.26 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.48 1rw0 h LYS 231 Cb 1.10 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.81 1rw0 h LYS 231 CO 0.46 -0.14 -0.08 0.99 -2.27 0.00 0.00 179.45 178.41 1rw0 s THR 232 N -6.13 5.02 0.36 1.00 2.01 -1.26 -4.87 115.64 111.77 1rw0 s THR 232 Ca -0.14 0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1rw0 s THR 232 Cb 0.10 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1rw0 s THR 232 CO 0.67 -0.26 0.71 0.28 -0.69 0.00 0.00 174.62 175.34 1rw0 s THR 233 N 2.36 0.00 0.01 -0.82 -1.32 -1.26 -4.80 115.64 109.81 1rw0 s THR 233 Ca 0.17 -1.12 -0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1rw0 s THR 233 Cb -0.16 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1rw0 s THR 233 CO 0.14 0.00 0.01 0.61 -2.21 0.00 0.00 174.62 173.17 1rw0 n GLY 234 N -0.52 -0.08 3.01 6.08 0.00 -1.26 -4.89 105.19 107.52 1rw0 n GLY 234 Ca -0.06 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.69 0.48 0.42 1.61 1.81 -1.26 -4.75 118.95 114.56 1rw0 s ARG 235 Ca 0.01 -0.45 0.08 0.00 -1.72 0.00 0.00 55.73 53.65 1rw0 s ARG 235 Cb -0.00 -0.37 -0.01 0.00 -0.45 0.00 0.00 34.95 34.12 1rw0 s ARG 235 CO 0.01 0.09 0.42 -1.64 -0.68 0.00 0.00 175.30 173.49 1rw0 s MET 236 N -0.78 2.57 -0.01 3.54 -1.94 0.32 -2.16 119.30 120.84 1rw0 s MET 236 Ca -0.03 -1.50 -0.15 0.00 -1.71 0.00 0.00 55.69 52.30 1rw0 s MET 236 Cb -0.06 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.37 1rw0 s MET 236 CO 0.00 -0.23 0.31 0.00 -0.01 0.00 0.00 175.02 175.09 1rw0 s ALA 237 N -2.46 -0.77 -0.08 3.03 0.00 -1.26 -0.85 121.76 119.37 1rw0 s ALA 237 Ca 0.49 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1rw0 s ALA 237 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1rw0 s ALA 237 CO 0.29 -0.28 -0.17 -1.12 0.00 0.00 0.00 175.76 174.47 1rw0 s SER 238 N -1.43 3.72 0.13 0.00 0.01 -0.65 -1.21 113.70 114.26 1rw0 s SER 238 Ca -0.12 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.87 1rw0 s SER 238 Cb -0.05 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 1rw0 s SER 238 CO 0.03 0.25 -0.18 -0.36 0.41 0.00 0.00 173.24 173.39 1rw0 s PHE 239 N -0.16 1.66 -0.20 2.43 0.08 0.61 -2.00 117.98 120.40 1rw0 s PHE 239 Ca -0.02 -0.47 -0.23 0.00 0.12 0.00 0.00 56.93 56.33 1rw0 s PHE 239 Cb -0.14 -0.87 0.06 0.00 -0.57 0.00 0.00 43.02 41.51 1rw0 s PHE 239 CO 0.04 0.22 0.62 -1.50 -0.10 0.00 0.00 175.22 174.50 1rw0 s ILE 240 N -1.73 0.00 0.11 0.64 2.07 -0.63 -1.85 121.20 119.80 1rw0 s ILE 240 Ca 0.10 -0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.08 1rw0 s ILE 240 Cb -0.07 -0.88 0.06 0.00 0.13 0.00 0.00 42.46 41.70 1rw0 s ILE 240 CO 0.05 -0.01 0.58 -1.66 -1.91 0.00 0.00 174.94 171.99 1rw0 s TRP 241 N 0.05 -0.51 0.11 3.50 -2.14 -0.58 -0.83 118.94 118.53 1rw0 s TRP 241 Ca -0.02 0.44 -0.22 0.00 2.66 0.00 0.00 56.10 58.96 1rw0 s TRP 241 Cb -0.04 0.48 -0.07 0.00 -3.10 0.00 0.00 33.47 30.74 1rw0 s TRP 241 CO 0.02 -0.77 0.65 -0.51 -2.66 0.00 0.00 176.95 173.69 1rw0 s LEU 242 N -2.39 4.55 0.00 -4.66 1.43 -1.26 -1.69 118.68 114.65 1rw0 s LEU 242 Ca -0.02 1.41 0.31 0.00 -1.03 0.00 0.00 54.13 54.81 1rw0 s LEU 242 Cb -0.01 -3.07 1.80 0.00 0.03 0.00 0.00 46.19 44.94 1rw0 s LEU 242 CO -0.08 0.24 2.17 -0.38 0.23 0.00 0.00 176.35 178.53