#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d85 s VAL 2 N 0.00 3.46 -0.05 3.84 1.01 -1.26 -3.92 120.40 123.49 3d85 s VAL 2 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 3d85 s VAL 2 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3d85 s VAL 2 CO 0.00 0.22 0.15 -1.10 0.00 0.00 0.00 175.10 174.37 3d85 s GLN 3 N -0.46 0.22 -0.31 2.72 -0.21 -0.72 -4.98 119.66 115.92 3d85 s GLN 3 Ca 0.52 0.12 0.01 0.00 0.02 0.00 0.00 55.36 56.04 3d85 s GLN 3 Cb -0.33 0.10 0.09 0.00 1.00 0.00 0.00 33.01 33.87 3d85 s GLN 3 CO 0.38 -0.03 0.05 -0.51 -2.12 0.00 0.00 175.29 173.07 3d85 s LEU 4 N -0.12 3.20 -0.31 2.90 1.43 -1.26 -1.16 118.68 123.35 3d85 s LEU 4 Ca -0.02 -1.74 -0.10 0.00 -1.03 0.00 0.00 54.13 51.24 3d85 s LEU 4 Cb -0.02 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3d85 s LEU 4 CO 0.00 -0.37 0.16 -1.10 0.23 0.00 0.00 176.35 175.27 3d85 s GLN 5 N 1.32 3.35 0.37 1.70 -0.21 0.23 -4.08 119.66 122.34 3d85 s GLN 5 Ca 0.08 -0.71 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 3d85 s GLN 5 Cb -0.18 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 3d85 s GLN 5 CO -0.16 -0.42 0.60 -0.65 -2.12 0.00 0.00 175.29 172.55 3d85 s GLN 6 N 1.62 3.51 0.85 2.91 -0.21 -1.26 -0.98 119.66 126.10 3d85 s GLN 6 Ca 0.05 -0.19 -0.12 0.00 0.02 0.00 0.00 55.36 55.12 3d85 s GLN 6 Cb -0.17 -2.59 0.10 0.00 1.00 0.00 0.00 33.01 31.35 3d85 s GLN 6 CO 0.07 0.07 1.10 -1.54 -2.12 0.00 0.00 175.29 172.87 3d85 s SER 7 N -3.99 3.96 1.00 5.90 1.04 -0.65 -4.97 113.70 115.99 3d85 s SER 7 Ca 0.42 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 3d85 s SER 7 Cb -0.10 -1.97 0.19 0.00 0.10 0.00 0.00 66.02 64.25 3d85 s SER 7 CO 0.38 -2.30 1.08 -0.83 0.98 0.00 0.00 173.24 172.55 3d85 s GLY 8 N -3.79 1.59 0.80 7.32 0.00 -1.26 -4.58 107.32 107.40 3d85 s GLY 8 Ca 0.62 -0.10 -0.13 0.00 0.00 0.00 0.00 44.72 45.11 3d85 s GLY 8 CO 0.55 0.48 1.18 2.56 0.00 0.00 0.00 173.10 177.87 3d85 s PRO 9 N -4.78 1.74 -0.01 2.90 0.04 -1.26 -4.70 135.00 128.93 3d85 s PRO 9 Ca 0.66 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3d85 s PRO 9 Cb -0.21 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3d85 s PRO 9 CO 0.59 -2.11 0.02 -1.21 0.04 0.00 0.00 177.00 174.33 3d85 s GLU 10 N -4.24 0.01 -0.24 4.56 0.41 -0.40 -4.72 118.70 114.08 3d85 s GLU 10 Ca 0.71 0.11 -0.10 0.00 -0.41 0.00 0.00 54.97 55.28 3d85 s GLU 10 Cb -0.26 -0.19 -0.05 0.00 -1.78 0.00 0.00 34.13 31.85 3d85 s GLU 10 CO 0.51 -0.11 0.14 -1.17 -0.49 0.00 0.00 175.26 174.14 3d85 s LEU 11 N 0.70 3.97 -0.02 1.80 2.96 -1.26 -1.05 118.68 125.77 3d85 s LEU 11 Ca -0.06 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3d85 s LEU 11 Cb -0.09 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3d85 s LEU 11 CO -0.02 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.16 3d85 s VAL 12 N 1.16 1.63 0.40 1.68 1.01 0.47 -4.97 120.40 121.79 3d85 s VAL 12 Ca 0.07 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 3d85 s VAL 12 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 3d85 s VAL 12 CO 0.05 0.46 1.09 -0.54 0.00 0.00 0.00 175.10 176.17 3d85 s LYS 13 N -0.36 4.09 0.34 2.72 1.02 -1.26 -1.28 119.74 125.01 3d85 s LYS 13 Ca 0.05 1.63 -0.29 0.00 0.02 0.00 0.00 55.97 57.38 3d85 s LYS 13 Cb -0.09 -2.57 -0.12 0.00 -0.52 0.00 0.00 37.83 34.53 3d85 s LYS 13 CO 0.00 -0.23 1.49 -2.30 -0.92 0.00 0.00 175.35 173.38 3d85 n PRO 14 N -0.06 2.58 0.00 -1.68 -0.02 -1.26 -1.49 135.00 133.06 3d85 n PRO 14 Ca 0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3d85 n PRO 14 Cb 0.48 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3d85 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d85 n GLY 15 N 1.05 3.15 3.94 -1.23 0.00 0.04 -4.91 105.19 107.23 3d85 n GLY 15 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3d85 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d85 s ALA 16 N -1.93 2.38 0.36 4.61 0.00 -0.55 -4.15 121.76 122.48 3d85 s ALA 16 Ca 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.79 3d85 s ALA 16 Cb 0.00 -2.70 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 3d85 s ALA 16 CO 0.00 -2.34 -0.06 -1.12 0.00 0.00 0.00 175.76 172.24 3d85 s SER 17 N -4.88 3.73 -0.03 0.00 0.01 -1.26 -1.74 113.70 109.53 3d85 s SER 17 Ca 0.73 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 3d85 s SER 17 Cb -0.04 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3d85 s SER 17 CO 0.52 -0.30 0.19 0.54 0.41 0.00 0.00 173.24 174.61 3d85 s VAL 18 N -2.67 0.05 -0.09 3.43 0.11 -0.56 -4.98 120.40 115.69 3d85 s VAL 18 Ca 0.33 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3d85 s VAL 18 Cb 0.05 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3d85 s VAL 18 CO 0.17 -0.23 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.81 3d85 s LYS 19 N -0.87 2.08 0.27 1.54 2.20 -1.26 -0.65 119.74 123.05 3d85 s LYS 19 Ca -0.10 -0.52 0.12 0.00 -0.36 0.00 0.00 55.97 55.11 3d85 s LYS 19 Cb -0.05 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.47 3d85 s LYS 19 CO 0.02 -0.02 -0.18 0.00 -0.36 0.00 0.00 175.35 174.81 3d85 s MET 20 N 0.87 1.75 0.20 4.03 0.23 -0.05 -4.96 119.30 121.37 3d85 s MET 20 Ca -0.10 -1.69 0.07 0.00 -1.03 0.00 0.00 55.69 52.94 3d85 s MET 20 Cb -0.15 -1.84 -0.05 0.00 -1.53 0.00 0.00 34.83 31.26 3d85 s MET 20 CO 0.01 0.34 -0.12 -1.54 -2.03 0.00 0.00 175.02 171.68 3d85 s SER 21 N -3.44 2.39 -0.30 -1.18 1.04 -1.26 -1.32 113.70 109.64 3d85 s SER 21 Ca 0.29 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 3d85 s SER 21 Cb -0.06 -0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.07 3d85 s SER 21 CO 0.15 -0.24 0.16 0.00 0.98 0.00 0.00 173.24 174.30 3d85 s LYS 23 N 1.98 4.24 -0.09 0.00 2.20 -0.15 -1.36 119.74 126.55 3d85 s LYS 23 Ca 0.10 0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 56.48 3d85 s LYS 23 Cb -0.17 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 3d85 s LYS 23 CO -0.31 -0.31 0.11 0.00 -0.36 0.00 0.00 175.35 174.48 3d85 s ALA 24 N 2.13 3.73 0.10 3.13 0.00 -0.49 -0.60 121.76 129.76 3d85 s ALA 24 Ca 0.33 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 3d85 s ALA 24 Cb -0.16 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 3d85 s ALA 24 CO 0.11 0.63 0.18 -1.12 0.00 0.00 0.00 175.76 175.56 3d85 s SER 25 N -1.15 0.15 0.00 0.00 0.01 -0.31 -4.83 113.70 107.56 3d85 s SER 25 Ca 0.17 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.67 3d85 s SER 25 Cb -0.12 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.45 3d85 s SER 25 CO 0.06 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.57 3d85 n GLY 26 N -0.08 0.59 3.77 3.44 0.00 -1.25 -1.75 105.19 109.91 3d85 n GLY 26 Ca -0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3d85 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d85 s TYR 27 N -2.00 -0.26 -0.52 1.61 1.13 -1.26 -4.43 117.35 111.62 3d85 s TYR 27 Ca 0.00 -0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.23 3d85 s TYR 27 Cb 0.00 0.68 0.03 0.00 -1.10 0.00 0.00 41.96 41.56 3d85 s TYR 27 CO 0.00 -1.14 1.22 0.99 -2.51 0.00 0.00 175.55 174.10 3d85 s THR 28 N -3.86 4.05 0.26 -3.49 2.01 -1.26 -4.91 115.64 108.44 3d85 s THR 28 Ca 0.09 1.01 -0.03 0.00 0.31 0.00 0.00 61.69 63.07 3d85 s THR 28 Cb -0.05 -4.60 0.25 0.00 0.01 0.00 0.00 72.50 68.11 3d85 s THR 28 CO 0.03 -1.14 1.70 0.15 -0.69 0.00 0.00 174.62 174.66 3d85 h PHE 29 N 9.70 0.41 0.00 4.92 3.57 -1.95 -0.61 116.94 132.97 3d85 h PHE 29 Ca -0.25 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3d85 h PHE 29 Cb 1.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3d85 h PHE 29 CO 1.01 -0.05 0.00 0.25 -2.23 0.00 0.00 178.31 177.29 3d85 n THR 30 N -5.10 0.06 1.01 4.41 -2.24 -1.26 -3.65 114.28 107.51 3d85 n THR 30 Ca 0.16 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 3d85 n THR 30 Cb 0.50 -0.58 0.41 0.00 -2.10 0.00 0.00 70.33 68.55 3d85 n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3d85 n SER 31 N -1.11 0.31 -4.20 3.42 3.41 -0.24 -4.56 113.62 110.66 3d85 n SER 31 Ca 0.18 0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.69 3d85 n SER 31 Cb 0.14 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 3d85 n SER 31 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3d85 s ASN 32 N -2.98 1.23 0.64 4.04 0.02 -1.24 -5.09 114.94 111.56 3d85 s ASN 32 Ca 0.13 -1.07 -0.04 0.00 -1.02 0.00 0.00 52.86 50.86 3d85 s ASN 32 Cb 0.18 0.09 0.05 0.00 0.02 0.00 0.00 41.25 41.59 3d85 s ASN 32 CO 0.63 -0.49 0.92 0.68 0.02 0.00 0.00 177.10 178.86 3d85 s VAL 33 N -3.61 2.49 -0.17 1.60 -7.23 -1.26 -4.51 120.40 107.71 3d85 s VAL 33 Ca 0.17 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 3d85 s VAL 33 Cb 0.05 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 34.00 3d85 s VAL 33 CO -0.01 -0.03 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.31 3d85 s MET 34 N -5.06 2.19 0.38 4.82 1.75 -0.26 -3.55 119.30 119.57 3d85 s MET 34 Ca 0.59 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3d85 s MET 34 Cb -0.11 -2.23 -0.03 0.00 2.84 0.00 0.00 34.83 35.30 3d85 s MET 34 CO 0.42 -0.31 0.61 -1.01 -0.65 0.00 0.00 175.02 174.08 3d85 s HIS 35 N 1.45 3.52 0.01 4.11 3.76 0.67 -1.81 115.29 126.99 3d85 s HIS 35 Ca 0.02 0.47 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 3d85 s HIS 35 Cb -0.14 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 3d85 s HIS 35 CO -0.10 0.03 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.11 3d85 s TRP 36 N -2.41 1.18 -0.00 1.40 0.52 -0.36 -0.77 118.94 118.50 3d85 s TRP 36 Ca 0.42 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.27 3d85 s TRP 36 Cb -0.10 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.49 3d85 s TRP 36 CO 0.38 0.00 -0.00 0.08 0.02 0.00 0.00 176.95 177.43 3d85 s VAL 37 N -0.52 0.04 -0.08 4.03 1.01 0.04 -0.92 120.40 124.01 3d85 s VAL 37 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 3d85 s VAL 37 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 3d85 s VAL 37 CO 0.00 0.02 0.01 -0.75 0.00 0.00 0.00 175.10 174.38 3d85 s LYS 38 N 0.07 2.99 -0.15 2.72 2.20 0.47 -0.31 119.74 127.73 3d85 s LYS 38 Ca -0.00 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 3d85 s LYS 38 Cb -0.01 -2.81 0.06 0.00 -1.51 0.00 0.00 37.83 33.56 3d85 s LYS 38 CO -0.00 0.70 0.10 -1.14 -0.36 0.00 0.00 175.35 174.65 3d85 s GLN 39 N -0.99 0.05 0.43 4.03 0.74 0.10 -1.25 119.66 122.77 3d85 s GLN 39 Ca 0.14 0.05 -0.24 0.00 0.05 0.00 0.00 55.36 55.36 3d85 s GLN 39 Cb -0.11 -1.48 -0.08 0.00 1.10 0.00 0.00 33.01 32.43 3d85 s GLN 39 CO 0.04 -0.60 1.18 0.15 -0.55 0.00 0.00 175.29 175.51 3d85 s LYS 40 N 2.17 3.90 -0.18 1.67 1.02 -1.25 -1.02 119.74 126.05 3d85 s LYS 40 Ca 0.03 1.83 -0.38 0.00 0.02 0.00 0.00 55.97 57.46 3d85 s LYS 40 Cb -0.15 -2.55 -0.15 0.00 -0.52 0.00 0.00 37.83 34.46 3d85 s LYS 40 CO -0.08 -0.45 1.71 -2.30 -0.92 0.00 0.00 175.35 173.31 3d85 n PRO 41 N -0.20 1.36 -1.36 -1.68 -0.02 -1.26 -0.43 135.00 131.41 3d85 n PRO 41 Ca 0.06 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3d85 n PRO 41 Cb 0.47 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3d85 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d85 n GLY 42 N 3.98 1.33 1.30 -1.23 0.00 -1.26 -5.00 105.19 104.30 3d85 n GLY 42 Ca 0.24 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3d85 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d85 n GLN 43 N -2.64 1.18 -1.24 1.61 6.02 0.43 -5.17 117.38 117.57 3d85 n GLN 43 Ca -0.12 -1.33 -0.22 0.00 -0.01 0.00 0.00 57.00 55.32 3d85 n GLN 43 Cb 0.41 0.53 0.16 0.00 1.02 0.00 0.00 30.24 32.36 3d85 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d85 n GLY 44 N 1.96 -1.78 3.69 1.08 0.00 -1.26 -4.66 105.19 104.22 3d85 n GLY 44 Ca -0.05 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 3d85 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d85 s LEU 45 N 0.00 3.69 -0.04 0.99 1.43 -1.26 -3.97 118.68 119.52 3d85 s LEU 45 Ca 0.56 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3d85 s LEU 45 Cb -0.03 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3d85 s LEU 45 CO 0.40 0.34 -0.12 -1.61 0.23 0.00 0.00 176.35 175.60 3d85 s GLU 46 N -0.67 1.36 0.02 1.70 2.02 -0.38 -4.98 118.70 117.76 3d85 s GLU 46 Ca 0.11 -0.40 -0.26 0.00 0.02 0.00 0.00 54.97 54.44 3d85 s GLU 46 Cb -0.12 -1.20 -0.05 0.00 0.10 0.00 0.00 34.13 32.87 3d85 s GLU 46 CO 0.02 0.11 0.81 -0.46 0.02 0.00 0.00 175.26 175.76 3d85 s TRP 47 N 0.33 3.70 -0.22 1.61 -0.00 -1.26 -0.40 118.94 122.70 3d85 s TRP 47 Ca -0.07 1.50 -0.16 0.00 -0.00 0.00 0.00 56.10 57.37 3d85 s TRP 47 Cb -0.12 -2.89 -0.18 0.00 -0.00 0.00 0.00 33.47 30.28 3d85 s TRP 47 CO 0.02 0.19 0.07 -0.89 -0.00 0.00 0.00 176.95 176.33 3d85 n ILE 48 N 3.16 1.57 0.00 5.86 5.41 -0.10 -4.59 119.36 130.67 3d85 n ILE 48 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3d85 n ILE 48 Cb 0.50 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 3d85 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d85 n GLY 49 N 1.51 -0.92 3.17 7.39 0.00 -1.22 -0.33 105.19 114.78 3d85 n GLY 49 Ca -0.39 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 3d85 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d85 s TYR 50 N -2.00 0.65 0.11 1.61 -0.85 0.08 -1.22 117.35 115.73 3d85 s TYR 50 Ca 0.00 -1.07 0.10 0.00 -0.52 0.00 0.00 57.07 55.58 3d85 s TYR 50 Cb 0.00 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 3d85 s TYR 50 CO 0.00 -0.52 -0.26 -1.50 -1.52 0.00 0.00 175.55 171.76 3d85 s ILE 51 N -3.99 2.30 -0.39 -3.49 2.07 -0.75 -1.19 121.20 115.76 3d85 s ILE 51 Ca 0.17 -1.63 -0.05 0.00 -1.41 0.00 0.00 60.65 57.73 3d85 s ILE 51 Cb 0.07 -2.00 0.09 0.00 0.13 0.00 0.00 42.46 40.75 3d85 s ILE 51 CO -0.02 0.16 0.19 0.21 -1.91 0.00 0.00 174.94 173.56 3d85 s ASN 52 N -1.86 5.33 0.44 4.50 2.47 0.90 -1.10 114.94 125.62 3d85 s ASN 52 Ca 0.14 -1.69 0.13 0.00 0.42 0.00 0.00 52.86 51.87 3d85 s ASN 52 Cb -0.10 -1.87 1.03 0.00 -1.45 0.00 0.00 41.25 38.86 3d85 s ASN 52 CO 0.05 -0.49 2.00 -0.65 -3.72 0.00 0.00 177.10 174.29 3d85 h PRO 53 N 8.18 0.39 -0.50 0.43 0.11 -1.86 0.79 132.00 139.54 3d85 h PRO 53 Ca -0.18 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.99 3d85 h PRO 53 Cb 1.06 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 3d85 h PRO 53 CO 0.69 0.26 0.10 -0.92 -0.21 0.00 0.00 178.00 177.92 3d85 h TYR 54 N 0.40 0.16 -0.05 0.65 3.20 -1.91 -3.17 116.97 116.25 3d85 h TYR 54 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3d85 h TYR 54 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3d85 h TYR 54 CO -0.00 -0.01 0.00 0.27 -1.64 0.00 0.00 178.16 176.78 3d85 n ASN 55 N -5.11 1.73 -1.29 -2.11 0.23 -1.09 -4.98 115.26 102.64 3d85 n ASN 55 Ca 0.06 -1.44 -0.17 0.00 -0.53 0.00 0.00 54.58 52.50 3d85 n ASN 55 Cb 0.24 -0.03 -0.07 0.00 -2.08 0.00 0.00 39.78 37.84 3d85 n ASN 55 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3d85 n ASP 56 N 0.23 -5.09 -4.77 0.53 9.92 0.25 -4.97 116.55 112.65 3d85 n ASP 56 Ca 0.04 0.42 -0.39 0.00 -0.53 0.00 0.00 54.79 54.33 3d85 n ASP 56 Cb 0.19 -4.07 -0.04 0.00 -0.64 0.00 0.00 41.12 36.57 3d85 n ASP 56 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3d85 s GLY 57 N -2.80 2.94 0.20 0.44 0.00 -1.18 -4.75 107.32 102.18 3d85 s GLY 57 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.69 3d85 s GLY 57 CO 0.00 1.44 -0.15 -0.51 0.00 0.00 0.00 173.10 173.88 3d85 s THR 58 N -1.33 1.75 -0.08 0.90 -4.23 -1.26 -0.07 115.64 111.32 3d85 s THR 58 Ca 0.51 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3d85 s THR 58 Cb -0.30 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.56 3d85 s THR 58 CO 0.38 -0.57 0.17 -0.75 -0.54 0.00 0.00 174.62 173.31 3d85 s LYS 59 N -3.57 0.10 0.17 3.99 2.47 -0.34 -4.98 119.74 117.59 3d85 s LYS 59 Ca 0.22 0.46 0.08 0.00 -1.56 0.00 0.00 55.97 55.17 3d85 s LYS 59 Cb -0.01 -0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.14 3d85 s LYS 59 CO 0.07 -0.20 -0.05 0.71 0.16 0.00 0.00 175.35 176.03 3d85 s TYR 60 N 1.49 2.74 0.11 4.03 2.02 -1.26 -0.74 117.35 125.74 3d85 s TYR 60 Ca -0.06 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 3d85 s TYR 60 Cb -0.11 -1.34 -0.07 0.00 -0.40 0.00 0.00 41.96 40.04 3d85 s TYR 60 CO -0.07 0.51 1.20 1.21 -1.57 0.00 0.00 175.55 176.83 3d85 s ASN 61 N -2.83 7.08 0.46 2.29 3.84 0.55 -4.90 114.94 121.43 3d85 s ASN 61 Ca 0.26 2.10 0.21 0.00 0.21 0.00 0.00 52.86 55.63 3d85 s ASN 61 Cb -0.09 -2.59 1.19 0.00 -0.55 0.00 0.00 41.25 39.21 3d85 s ASN 61 CO 0.17 -0.43 1.91 -0.33 -2.79 0.00 0.00 177.10 175.62 3d85 h GLU 62 N 6.24 0.26 0.00 0.43 4.39 -1.94 -0.30 114.58 123.66 3d85 h GLU 62 Ca -0.43 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3d85 h GLU 62 Cb 1.21 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3d85 h GLU 62 CO 0.79 0.17 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.57 3d85 h LYS 63 N 0.27 0.00 -0.01 2.33 3.64 -1.94 -2.89 116.57 117.96 3d85 h LYS 63 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3d85 h LYS 63 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3d85 h LYS 63 CO -0.10 0.02 -0.08 1.19 -2.27 0.00 0.00 179.45 178.22 3d85 n PHE 64 N -3.69 0.00 -1.72 1.91 3.01 -0.14 -4.89 117.46 111.94 3d85 n PHE 64 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 3d85 n PHE 64 Cb 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.57 3d85 n PHE 64 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3d85 n LYS 65 N 0.47 2.38 -0.35 -1.08 5.02 -1.09 -0.63 118.16 122.89 3d85 n LYS 65 Ca 0.07 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 3d85 n LYS 65 Cb 0.31 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3d85 n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d85 n GLY 66 N 1.57 1.79 0.07 0.72 0.00 -1.26 -4.68 105.19 103.39 3d85 n GLY 66 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3d85 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d85 n LYS 67 N -2.00 1.17 -5.17 1.61 3.00 0.20 -4.80 118.16 112.17 3d85 n LYS 67 Ca 0.00 0.04 -0.31 0.00 -0.00 0.00 0.00 58.31 58.04 3d85 n LYS 67 Cb 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 35.03 33.58 3d85 n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3d85 s ALA 68 N -2.29 2.23 -0.13 3.14 0.00 -0.65 -1.03 121.76 123.03 3d85 s ALA 68 Ca -0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 3d85 s ALA 68 Cb 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3d85 s ALA 68 CO 0.40 0.53 -0.06 0.99 0.00 0.00 0.00 175.76 177.62 3d85 s THR 69 N -0.67 1.04 -0.13 0.00 2.01 -0.34 -4.83 115.64 112.71 3d85 s THR 69 Ca 0.11 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.61 3d85 s THR 69 Cb -0.10 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3d85 s THR 69 CO -0.00 0.27 0.15 -0.76 -0.69 0.00 0.00 174.62 173.58 3d85 s LEU 70 N 1.69 4.35 0.18 4.42 1.43 -1.26 -1.29 118.68 128.20 3d85 s LEU 70 Ca 0.03 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3d85 s LEU 70 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3d85 s LEU 70 CO -0.08 0.36 0.13 0.42 0.23 0.00 0.00 176.35 177.41 3d85 s THR 71 N -0.73 0.03 0.03 5.49 -4.23 -0.78 -4.98 115.64 110.47 3d85 s THR 71 Ca 0.14 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 3d85 s THR 71 Cb -0.12 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3d85 s THR 71 CO 0.03 -0.14 0.20 -0.94 -0.54 0.00 0.00 174.62 173.23 3d85 s SER 72 N -3.12 0.01 -0.31 3.99 1.04 -1.26 -0.91 113.70 113.14 3d85 s SER 72 Ca 0.33 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.49 3d85 s SER 72 Cb 0.07 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.56 3d85 s SER 72 CO 0.09 -0.52 0.02 -0.62 0.98 0.00 0.00 173.24 173.18 3d85 s ASP 73 N -1.92 4.47 0.42 7.02 3.68 0.73 -4.99 116.67 126.08 3d85 s ASP 73 Ca -0.07 -1.82 0.10 0.00 2.13 0.00 0.00 52.55 52.88 3d85 s ASP 73 Cb -0.02 -1.42 0.91 0.00 -1.45 0.00 0.00 42.92 40.93 3d85 s ASP 73 CO -0.02 -0.34 2.01 0.11 0.13 0.00 0.00 175.17 177.06 3d85 h LYS 74 N 7.76 0.29 0.00 4.34 1.57 -1.91 -0.66 116.57 127.96 3d85 h LYS 74 Ca -0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3d85 h LYS 74 Cb 1.03 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3d85 h LYS 74 CO 0.49 0.30 -0.03 0.66 -0.57 0.00 0.00 179.45 180.29 3d85 h SER 75 N 0.29 0.00 -0.03 0.86 4.64 -1.96 -2.75 113.55 114.60 3d85 h SER 75 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3d85 h SER 75 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3d85 h SER 75 CO 0.00 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 3d85 n SER 76 N -3.99 1.62 -3.79 4.97 3.41 -1.02 -5.00 113.62 109.82 3d85 n SER 76 Ca -0.03 -1.52 -0.24 0.00 -0.26 0.00 0.00 58.87 56.82 3d85 n SER 76 Cb 0.12 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3d85 n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3d85 n SER 77 N -0.11 -2.23 -4.18 4.04 7.64 -0.31 -4.73 113.62 113.73 3d85 n SER 77 Ca 0.01 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.78 3d85 n SER 77 Cb 0.15 -3.92 -0.17 0.00 -1.01 0.00 0.00 64.21 59.27 3d85 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3d85 s THR 78 N -3.58 1.79 0.00 0.44 2.01 -0.87 -1.39 115.64 114.04 3d85 s THR 78 Ca 0.21 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 3d85 s THR 78 Cb -0.11 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3d85 s THR 78 CO 0.82 0.50 0.15 0.00 -0.69 0.00 0.00 174.62 175.41 3d85 s ALA 79 N 0.21 3.84 0.09 7.40 0.00 -0.46 -0.19 121.76 132.65 3d85 s ALA 79 Ca -0.12 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3d85 s ALA 79 Cb -0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3d85 s ALA 79 CO 0.06 0.74 -0.12 0.71 0.00 0.00 0.00 175.76 177.14 3d85 s TYR 80 N -1.30 1.16 -0.04 0.00 2.02 -0.09 -0.61 117.35 118.49 3d85 s TYR 80 Ca 0.27 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3d85 s TYR 80 Cb -0.12 -0.63 0.02 0.00 -0.40 0.00 0.00 41.96 40.83 3d85 s TYR 80 CO 0.18 0.05 -0.03 1.41 -1.57 0.00 0.00 175.55 175.59 3d85 s MET 81 N -2.40 0.61 -0.10 -0.62 -2.45 -0.43 -1.86 119.30 112.05 3d85 s MET 81 Ca 0.03 -0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 3d85 s MET 81 Cb -0.06 -0.68 -0.02 0.00 1.25 0.00 0.00 34.83 35.33 3d85 s MET 81 CO 0.01 -0.09 -0.13 -2.00 1.05 0.00 0.00 175.02 173.87 3d85 s GLU 82 N 0.88 3.11 -0.11 4.11 2.12 -0.41 -0.87 118.70 127.54 3d85 s GLU 82 Ca -0.11 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 3d85 s GLU 82 Cb -0.14 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 3d85 s GLU 82 CO -0.00 0.35 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.46 3d85 s LEU 83 N -0.01 2.96 0.26 2.70 1.43 0.17 -1.20 118.68 125.00 3d85 s LEU 83 Ca -0.03 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 3d85 s LEU 83 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3d85 s LEU 83 CO 0.04 0.25 0.14 -0.44 0.23 0.00 0.00 176.35 176.56 3d85 s SER 84 N -0.12 5.19 -1.00 2.29 0.01 -0.20 -1.49 113.70 118.37 3d85 s SER 84 Ca 0.00 -0.39 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 3d85 s SER 84 Cb -0.13 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 64.93 3d85 s SER 84 CO 0.03 -0.04 0.58 -1.20 0.41 0.00 0.00 173.24 173.02 3d85 n SER 85 N -1.10 -3.65 -4.77 2.44 7.64 -1.15 -4.86 113.62 108.18 3d85 n SER 85 Ca -0.07 -1.10 -0.37 0.00 1.01 0.00 0.00 58.87 58.34 3d85 n SER 85 Cb 0.58 -1.37 -0.01 0.00 -1.01 0.00 0.00 64.21 62.40 3d85 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d85 s LEU 86 N -6.78 3.99 0.33 -3.43 1.43 -0.71 -4.60 118.68 108.91 3d85 s LEU 86 Ca 0.36 2.32 0.03 0.00 -1.03 0.00 0.00 54.13 55.82 3d85 s LEU 86 Cb -0.20 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 3d85 s LEU 86 CO 0.84 -0.97 0.11 0.42 0.23 0.00 0.00 176.35 176.98 3d85 s THR 87 N -1.55 0.72 0.58 5.49 -4.23 -1.26 -0.78 115.64 114.61 3d85 s THR 87 Ca 0.65 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.43 3d85 s THR 87 Cb -0.29 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.35 3d85 s THR 87 CO 0.35 0.00 2.03 0.77 -0.54 0.00 0.00 174.62 177.23 3d85 h SER 88 N 2.08 0.00 0.09 3.99 4.64 -1.98 0.15 113.55 122.52 3d85 h SER 88 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3d85 h SER 88 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d85 h SER 88 CO 0.60 0.00 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.47 3d85 h GLU 89 N 0.00 0.00 -0.00 4.77 4.57 -1.95 -2.08 114.58 119.89 3d85 h GLU 89 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3d85 h GLU 89 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3d85 h GLU 89 CO -0.00 0.02 -0.22 -0.25 -1.18 0.00 0.00 179.01 177.38 3d85 n ASP 90 N -3.49 0.60 -4.68 1.04 8.00 0.52 -4.86 116.55 113.68 3d85 n ASP 90 Ca -0.03 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 3d85 n ASP 90 Cb 0.11 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3d85 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3d85 s SER 91 N -2.63 6.59 -0.10 -2.24 0.01 -0.78 -4.86 113.70 109.69 3d85 s SER 91 Ca 0.23 2.46 -0.32 0.00 1.31 0.00 0.00 55.95 59.62 3d85 s SER 91 Cb 0.19 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 64.00 3d85 s SER 91 CO 0.54 -0.93 1.42 0.00 0.41 0.00 0.00 173.24 174.67 3d85 s ALA 92 N 3.36 -2.62 -0.02 1.44 0.00 -0.72 -4.75 121.76 118.44 3d85 s ALA 92 Ca 0.77 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.23 3d85 s ALA 92 Cb -0.39 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3d85 s ALA 92 CO 0.33 -1.10 0.50 0.08 0.00 0.00 0.00 175.76 175.57 3d85 s VAL 93 N -2.01 4.98 -0.12 0.00 1.01 -0.18 -1.07 120.40 123.01 3d85 s VAL 93 Ca 0.21 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3d85 s VAL 93 Cb 0.05 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3d85 s VAL 93 CO -0.05 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.03 3d85 s TYR 94 N -0.42 2.72 0.13 5.22 2.02 -0.16 0.01 117.35 126.87 3d85 s TYR 94 Ca 0.27 -0.76 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 3d85 s TYR 94 Cb -0.17 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3d85 s TYR 94 CO 0.15 -0.27 0.00 0.71 -1.57 0.00 0.00 175.55 174.57 3d85 s TYR 95 N 0.29 2.93 0.09 2.71 1.51 0.58 -1.00 117.35 124.47 3d85 s TYR 95 Ca -0.13 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3d85 s TYR 95 Cb -0.16 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 3d85 s TYR 95 CO 0.07 0.49 0.05 0.00 -1.11 0.00 0.00 175.55 175.05 3d85 s ALA 97 N -1.38 -0.74 1.10 0.00 0.00 0.05 -0.47 121.76 120.32 3d85 s ALA 97 Ca 0.28 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 3d85 s ALA 97 Cb -0.12 -0.26 0.20 0.00 0.00 0.00 0.00 23.12 22.94 3d85 s ALA 97 CO 0.21 -0.19 0.89 0.54 0.00 0.00 0.00 175.76 177.20 3d85 n ARG 98 N 2.23 -1.87 -1.34 0.00 1.74 -0.78 -0.24 116.66 116.40 3d85 n ARG 98 Ca -0.17 -1.40 -0.50 0.00 -0.77 0.00 0.00 57.85 55.02 3d85 n ARG 98 Cb 0.57 -1.12 -0.05 0.00 -1.02 0.00 0.00 32.46 30.83 3d85 n ARG 98 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3d85 n ASN 99 N -4.05 -0.53 -0.34 0.55 4.13 -1.23 -4.69 115.26 109.09 3d85 n ASN 99 Ca 0.12 1.05 0.09 0.00 1.68 0.00 0.00 54.58 57.52 3d85 n ASN 99 Cb 0.43 -0.86 0.26 0.00 -1.54 0.00 0.00 39.78 38.07 3d85 n ASN 99 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 3d85 h TRP 100 N 1.91 1.01 0.00 3.10 4.06 -1.95 -1.93 115.95 122.15 3d85 h TRP 100 Ca -0.37 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.61 3d85 h TRP 100 Cb 1.32 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 3d85 h TRP 100 CO 0.46 0.31 0.00 -0.40 -3.56 0.00 0.00 178.44 175.25 3d85 n ASP 101 N -4.74 0.00 -0.89 -3.49 5.68 -1.26 -3.05 116.55 108.79 3d85 n ASP 101 Ca 0.20 -0.85 0.11 0.00 -0.50 0.00 0.00 54.79 53.74 3d85 n ASP 101 Cb 0.44 -0.01 0.11 0.00 -1.14 0.00 0.00 41.12 40.52 3d85 n ASP 101 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3d85 n VAL 102 N -1.01 0.12 -3.63 2.12 0.24 -0.73 -5.02 118.33 110.42 3d85 n VAL 102 Ca 0.21 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 3d85 n VAL 102 Cb 0.10 1.33 0.06 0.00 -1.47 0.00 0.00 33.84 33.86 3d85 n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d85 n ALA 103 N 1.22 -1.68 -3.75 2.33 0.00 -1.17 -5.01 120.51 112.45 3d85 n ALA 103 Ca 0.14 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 3d85 n ALA 103 Cb 0.54 -3.59 -0.17 0.00 0.00 0.00 0.00 19.45 16.22 3d85 n ALA 103 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3d85 s TYR 104 N -3.41 0.67 0.18 0.00 1.51 -1.26 -5.09 117.35 109.94 3d85 s TYR 104 Ca 0.29 -0.17 0.10 0.00 -1.01 0.00 0.00 57.07 56.28 3d85 s TYR 104 Cb -0.14 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 3d85 s TYR 104 CO 0.77 -0.30 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.12 3d85 s TRP 105 N 1.79 1.99 1.06 2.71 0.52 -1.26 -1.87 118.94 123.88 3d85 s TRP 105 Ca 0.02 -0.43 -0.16 0.00 0.02 0.00 0.00 56.10 55.55 3d85 s TRP 105 Cb -0.13 -0.99 0.22 0.00 -1.15 0.00 0.00 33.47 31.43 3d85 s TRP 105 CO -0.04 0.39 1.18 0.20 0.02 0.00 0.00 176.95 178.70 3d85 s GLY 106 N -2.66 1.64 0.00 0.98 0.00 0.38 -4.76 107.32 102.90 3d85 s GLY 106 Ca 0.17 -0.90 0.29 0.00 0.00 0.00 0.00 44.72 44.28 3d85 s GLY 106 CO 0.08 -0.14 1.89 0.61 0.00 0.00 0.00 173.10 175.55 3d85 n GLN 107 N -4.23 0.63 0.00 2.90 0.00 -1.26 -4.77 117.38 110.65 3d85 n GLN 107 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 57.00 56.94 3d85 n GLN 107 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 3d85 n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d85 n GLY 108 N 1.28 0.94 3.03 2.61 0.00 -1.26 -5.03 105.19 106.75 3d85 n GLY 108 Ca 0.14 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 3d85 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d85 s THR 109 N -2.15 1.53 -0.28 2.61 2.01 -0.17 -4.88 115.64 114.31 3d85 s THR 109 Ca 0.00 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3d85 s THR 109 Cb 0.00 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 3d85 s THR 109 CO 0.00 0.45 0.51 -0.22 -0.69 0.00 0.00 174.62 174.67 3d85 s LEU 110 N 1.35 4.11 -0.20 4.42 2.96 -1.26 -0.98 118.68 129.07 3d85 s LEU 110 Ca 0.02 0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.25 3d85 s LEU 110 Cb -0.13 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3d85 s LEU 110 CO -0.08 -0.33 0.02 -0.69 -1.32 0.00 0.00 176.35 173.96 3d85 s VAL 111 N 2.32 4.16 -0.22 1.68 1.01 -0.23 -1.27 120.40 127.85 3d85 s VAL 111 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3d85 s VAL 111 Cb -0.16 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 3d85 s VAL 111 CO 0.10 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 3d85 s THR 112 N 0.93 3.28 -0.39 3.92 2.01 -0.22 -1.76 115.64 123.40 3d85 s THR 112 Ca 0.02 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 3d85 s THR 112 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3d85 s THR 112 CO 0.02 0.41 0.28 -0.69 -0.69 0.00 0.00 174.62 173.95 3d85 s VAL 113 N 1.46 5.23 0.06 3.82 1.01 -1.26 -0.40 120.40 130.33 3d85 s VAL 113 Ca 0.05 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3d85 s VAL 113 Cb -0.14 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3d85 s VAL 113 CO -0.04 -0.23 0.45 -0.55 0.00 0.00 0.00 175.10 174.73 3d85 s SER 114 N 1.68 -0.34 0.02 3.32 0.15 -0.40 -4.48 113.70 113.65 3d85 s SER 114 Ca 0.05 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.97 3d85 s SER 114 Cb -0.19 0.46 0.59 0.00 -1.71 0.00 0.00 66.02 65.17 3d85 s SER 114 CO 0.10 -0.72 1.48 0.00 1.20 0.00 0.00 173.24 175.30 3d85 n ALA 115 N 0.33 3.28 -1.77 5.45 0.00 -1.26 -4.11 120.51 122.43 3d85 n ALA 115 Ca -0.18 -0.30 -0.36 0.00 0.00 0.00 0.00 53.44 52.60 3d85 n ALA 115 Cb 0.61 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 3d85 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d85 s ALA 116 N -3.02 2.82 0.44 0.00 0.00 -1.26 -5.02 121.76 115.71 3d85 s ALA 116 Ca 0.11 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 3d85 s ALA 116 Cb 0.17 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3d85 s ALA 116 CO 0.68 -0.72 0.89 -1.12 0.00 0.00 0.00 175.76 175.49 3d85 s SER 117 N -1.59 6.72 0.47 0.00 0.01 -1.26 -5.02 113.70 113.02 3d85 s SER 117 Ca 0.69 1.47 -0.23 0.00 1.31 0.00 0.00 55.95 59.19 3d85 s SER 117 Cb -0.26 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 3d85 s SER 117 CO 0.30 -0.43 1.17 0.28 0.41 0.00 0.00 173.24 174.98 3d85 s THR 118 N -2.35 3.07 -0.10 1.44 -1.32 -1.26 -4.81 115.64 110.31 3d85 s THR 118 Ca 0.58 0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 61.81 3d85 s THR 118 Cb -0.10 -3.40 0.05 0.00 -1.51 0.00 0.00 72.50 67.54 3d85 s THR 118 CO 0.24 -0.02 0.21 -0.75 -2.21 0.00 0.00 174.62 172.10 3d85 s LYS 119 N -2.73 0.13 0.62 7.08 2.20 0.17 -4.93 119.74 122.28 3d85 s LYS 119 Ca 0.64 0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 56.70 3d85 s LYS 119 Cb -0.29 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 3d85 s LYS 119 CO 0.35 -0.23 1.04 0.20 -0.36 0.00 0.00 175.35 176.34 3d85 s GLY 120 N 1.84 1.84 0.54 5.54 0.00 -1.26 -0.96 107.32 114.85 3d85 s GLY 120 Ca -0.03 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 3d85 s GLY 120 CO -0.07 0.42 0.99 2.56 0.00 0.00 0.00 173.10 177.00 3d85 s PRO 121 N -4.69 3.88 -0.01 2.90 0.04 -1.26 -4.59 135.00 131.27 3d85 s PRO 121 Ca 0.59 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 3d85 s PRO 121 Cb -0.13 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3d85 s PRO 121 CO 0.47 -0.33 0.26 -1.12 0.04 0.00 0.00 177.00 176.31 3d85 s SER 122 N -3.27 6.50 -0.15 6.66 0.01 -0.32 -4.91 113.70 118.21 3d85 s SER 122 Ca 0.58 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.42 3d85 s SER 122 Cb -0.10 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.05 3d85 s SER 122 CO 0.36 0.28 -0.17 -0.69 0.41 0.00 0.00 173.24 173.43 3d85 s VAL 123 N -1.25 1.74 0.02 3.43 1.01 -1.26 -1.00 120.40 123.09 3d85 s VAL 123 Ca 0.25 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3d85 s VAL 123 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3d85 s VAL 123 CO 0.14 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.12 3d85 s PHE 124 N 1.31 2.24 0.48 5.22 0.08 -0.24 -4.95 117.98 122.12 3d85 s PHE 124 Ca 0.02 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 3d85 s PHE 124 Cb -0.13 -1.38 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3d85 s PHE 124 CO -0.09 0.05 1.03 -1.25 -0.10 0.00 0.00 175.22 174.85 3d85 s PRO 125 N -0.96 3.84 -0.68 0.24 0.04 -1.26 -0.07 135.00 136.16 3d85 s PRO 125 Ca 0.10 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 3d85 s PRO 125 Cb -0.10 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 32.51 3d85 s PRO 125 CO 0.01 -0.39 0.50 -0.51 0.04 0.00 0.00 177.00 176.65 3d85 s LEU 126 N -3.50 5.28 0.30 -3.56 1.43 0.41 -4.78 118.68 114.26 3d85 s LEU 126 Ca 0.66 -3.05 -0.29 0.00 -1.03 0.00 0.00 54.13 50.42 3d85 s LEU 126 Cb -0.15 -1.86 -0.10 0.00 0.03 0.00 0.00 46.19 44.11 3d85 s LEU 126 CO 0.20 -0.32 1.19 0.00 0.23 0.00 0.00 176.35 177.64 3d85 s ALA 127 N -0.36 3.45 0.31 4.21 0.00 -1.26 -0.91 121.76 127.20 3d85 s ALA 127 Ca 0.19 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3d85 s ALA 127 Cb -0.17 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 3d85 s ALA 127 CO -0.05 -0.37 1.53 -0.35 0.00 0.00 0.00 175.76 176.52 3d85 n PRO 128 N 1.04 2.58 -2.66 0.00 -0.04 -1.25 -4.89 135.00 129.78 3d85 n PRO 128 Ca -0.01 0.91 -0.36 0.00 -0.04 0.00 0.00 63.50 64.00 3d85 n PRO 128 Cb 0.43 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.18 3d85 n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d85 s SER 129 N 0.28 7.02 0.29 3.54 0.15 -1.26 -4.39 113.70 119.33 3d85 s SER 129 Ca 0.61 1.94 0.07 0.00 0.70 0.00 0.00 55.95 59.27 3d85 s SER 129 Cb -0.51 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 61.67 3d85 s SER 129 CO 0.53 -0.30 1.69 0.77 1.20 0.00 0.00 173.24 177.13 3d85 h SER 130 N 2.76 0.21 0.35 5.45 4.64 -1.93 -3.43 113.55 121.59 3d85 h SER 130 Ca -0.48 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.73 3d85 h SER 130 Cb 1.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3d85 h SER 130 CO 0.63 0.63 -0.17 0.50 -0.87 0.00 0.00 176.83 177.56 3d85 h LYS 131 N 0.16 -0.45 0.00 4.77 3.64 -2.02 -3.54 116.57 119.14 3d85 h LYS 131 Ca 0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3d85 h LYS 131 Cb 0.85 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3d85 h LYS 131 CO 0.07 -0.30 0.00 2.41 -2.27 0.00 0.00 179.45 179.36 3d85 n THR 133 N -4.10 -0.31 0.00 1.00 -1.04 -1.26 -5.16 114.28 103.41 3d85 n THR 133 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3d85 n THR 133 Cb 0.18 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3d85 n THR 133 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3d85 n SER 134 N -0.29 0.00 0.00 8.00 2.88 0.46 -4.88 113.62 119.80 3d85 n SER 134 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3d85 n SER 134 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3d85 n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d85 n GLY 135 N 0.00 0.59 2.02 0.46 0.00 -1.26 -4.76 105.19 102.24 3d85 n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d85 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d85 n GLY 136 N -2.27 0.79 3.33 -0.02 0.00 -1.26 -5.03 105.19 100.73 3d85 n GLY 136 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3d85 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d85 s THR 137 N -3.00 2.77 0.16 2.61 2.01 -1.26 -0.02 115.64 118.91 3d85 s THR 137 Ca 0.00 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.33 3d85 s THR 137 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3d85 s THR 137 CO 0.00 0.54 -0.17 0.00 -0.69 0.00 0.00 174.62 174.29 3d85 s ALA 138 N 0.29 2.72 0.03 7.40 0.00 0.11 0.18 121.76 132.48 3d85 s ALA 138 Ca -0.12 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.43 3d85 s ALA 138 Cb -0.16 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3d85 s ALA 138 CO 0.06 0.50 -0.23 0.00 0.00 0.00 0.00 175.76 176.09 3d85 s ALA 139 N -1.50 2.40 0.23 0.00 0.00 -1.26 -0.87 121.76 120.76 3d85 s ALA 139 Ca 0.21 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 3d85 s ALA 139 Cb -0.09 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3d85 s ALA 139 CO 0.12 0.55 0.45 -0.48 0.00 0.00 0.00 175.76 176.40 3d85 s LEU 140 N -1.24 0.39 0.00 0.00 0.05 -0.81 -3.97 118.68 113.10 3d85 s LEU 140 Ca 0.13 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.42 3d85 s LEU 140 Cb -0.10 1.70 0.00 0.00 -2.05 0.00 0.00 46.19 45.74 3d85 s LEU 140 CO 0.03 -1.09 0.00 0.61 -0.55 0.00 0.00 176.35 175.35 3d85 n GLY 141 N -0.35 1.49 2.92 -3.48 0.00 -0.08 -1.08 105.19 104.59 3d85 n GLY 141 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3d85 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d85 s LEU 143 N -0.26 4.05 -0.39 0.00 2.96 0.91 -0.98 118.68 124.97 3d85 s LEU 143 Ca -0.03 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 3d85 s LEU 143 Cb -0.02 -2.11 0.08 0.00 0.50 0.00 0.00 46.19 44.64 3d85 s LEU 143 CO -0.00 -0.01 0.18 -0.69 -1.32 0.00 0.00 176.35 174.51 3d85 s VAL 144 N 1.50 3.65 0.03 1.68 1.01 0.10 -1.08 120.40 127.30 3d85 s VAL 144 Ca 0.07 -1.59 0.08 0.00 0.00 0.00 0.00 61.98 60.54 3d85 s VAL 144 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3d85 s VAL 144 CO 0.09 -0.47 -0.23 -0.75 0.00 0.00 0.00 175.10 173.74 3d85 s LYS 145 N 1.30 1.97 -1.00 2.72 2.20 -0.17 -0.23 119.74 126.52 3d85 s LYS 145 Ca 0.03 -1.02 -0.06 0.00 -0.36 0.00 0.00 55.97 54.56 3d85 s LYS 145 Cb -0.22 -2.07 -0.07 0.00 -1.51 0.00 0.00 37.83 33.96 3d85 s LYS 145 CO -0.01 0.53 0.87 -0.25 -0.36 0.00 0.00 175.35 176.14 3d85 n ASP 146 N 1.85 -6.34 -4.47 1.43 10.43 -0.20 -1.17 116.55 118.08 3d85 n ASP 146 Ca -0.17 -0.67 -0.23 0.00 2.57 0.00 0.00 54.79 56.29 3d85 n ASP 146 Cb 0.52 -4.98 -0.10 0.00 1.84 0.00 0.00 41.12 38.40 3d85 n ASP 146 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3d85 s TYR 147 N -3.37 2.14 -0.28 1.24 1.13 -0.74 -4.44 117.35 113.04 3d85 s TYR 147 Ca 0.43 -0.56 -0.23 0.00 -1.41 0.00 0.00 57.07 55.30 3d85 s TYR 147 Cb -0.06 -1.15 0.09 0.00 -1.10 0.00 0.00 41.96 39.74 3d85 s TYR 147 CO 0.70 0.46 0.80 0.12 -2.51 0.00 0.00 175.55 175.12 3d85 s PHE 148 N -2.79 -0.75 0.00 -3.49 2.19 -0.13 -0.46 117.98 112.55 3d85 s PHE 148 Ca 0.30 1.75 0.00 0.00 0.33 0.00 0.00 56.93 59.31 3d85 s PHE 148 Cb 0.01 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.07 3d85 s PHE 148 CO 0.13 -0.36 0.00 -0.35 1.83 0.00 0.00 175.22 176.47 3d85 n PRO 149 N 2.88 0.51 -2.08 10.12 -0.04 -1.26 -0.66 135.00 144.47 3d85 n PRO 149 Ca -0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 3d85 n PRO 149 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 3d85 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3d85 s GLU 150 N -2.14 3.34 0.46 0.54 0.41 -1.26 -4.76 118.70 115.28 3d85 s GLU 150 Ca 0.00 1.24 0.06 0.00 -0.41 0.00 0.00 54.97 55.86 3d85 s GLU 150 Cb 0.00 -2.03 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 3d85 s GLU 150 CO 0.00 -0.80 0.21 -1.25 -0.49 0.00 0.00 175.26 172.93 3d85 s PRO 151 N -3.97 2.23 0.26 0.39 0.04 -1.26 -4.89 135.00 127.80 3d85 s PRO 151 Ca 0.64 -1.96 0.11 0.00 0.04 0.00 0.00 61.00 59.84 3d85 s PRO 151 Cb -0.16 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3d85 s PRO 151 CO 0.35 -0.27 -0.17 0.14 0.04 0.00 0.00 177.00 177.09 3d85 s VAL 152 N -2.68 2.62 -0.00 -0.36 -7.23 -1.26 -4.49 120.40 107.01 3d85 s VAL 152 Ca 0.35 -2.25 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 3d85 s VAL 152 Cb 0.02 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 3d85 s VAL 152 CO 0.20 -0.34 -0.20 0.42 -0.31 0.00 0.00 175.10 174.87 3d85 s THR 153 N -2.31 2.60 -0.04 5.32 -4.23 -0.13 -4.97 115.64 111.87 3d85 s THR 153 Ca 0.28 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3d85 s THR 153 Cb -0.06 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3d85 s THR 153 CO 0.15 0.48 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.92 3d85 s VAL 154 N -0.77 0.91 0.19 2.29 1.01 -1.26 -1.26 120.40 121.51 3d85 s VAL 154 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3d85 s VAL 154 Cb -0.10 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3d85 s VAL 154 CO 0.02 0.29 0.01 -0.94 0.00 0.00 0.00 175.10 174.48 3d85 s SER 155 N 0.45 1.25 -0.04 3.32 1.04 -0.32 -4.96 113.70 114.44 3d85 s SER 155 Ca -0.08 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.21 3d85 s SER 155 Cb -0.12 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3d85 s SER 155 CO 0.02 -0.58 -0.23 0.26 0.98 0.00 0.00 173.24 173.69 3d85 s TRP 156 N -3.65 2.17 -1.36 5.02 0.52 -1.26 -0.61 118.94 119.77 3d85 s TRP 156 Ca 0.26 -0.58 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 3d85 s TRP 156 Cb 0.06 -1.43 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3d85 s TRP 156 CO 0.05 -0.16 0.70 0.09 0.02 0.00 0.00 176.95 177.66 3d85 n ASN 157 N 2.88 -1.60 -2.38 2.95 3.02 -0.27 -0.55 115.26 119.32 3d85 n ASN 157 Ca -0.17 -0.84 -0.16 0.00 -0.03 0.00 0.00 54.58 53.37 3d85 n ASN 157 Cb 0.52 -3.88 -0.01 0.00 -0.61 0.00 0.00 39.78 35.80 3d85 n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3d85 n SER 158 N -3.01 -4.83 0.00 6.41 7.64 -1.26 -1.26 113.62 117.32 3d85 n SER 158 Ca -0.25 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3d85 n SER 158 Cb 0.66 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 3d85 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d85 n GLY 159 N -0.88 0.62 0.18 0.23 0.00 0.29 -4.94 105.19 100.69 3d85 n GLY 159 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 3d85 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d85 h ALA 160 N 0.00 0.93 -2.72 4.61 0.00 -1.03 -3.42 119.26 117.63 3d85 h ALA 160 Ca 0.00 -0.38 -0.70 0.00 0.00 0.00 0.00 54.91 53.82 3d85 h ALA 160 Cb 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 17.49 3d85 h ALA 160 CO 0.00 0.53 -0.49 -1.17 0.00 0.00 0.00 179.25 178.11 3d85 s LEU 161 N -7.00 4.73 0.00 0.00 2.96 -1.05 -4.89 118.68 113.42 3d85 s LEU 161 Ca 0.01 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 3d85 s LEU 161 Cb 0.11 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.73 3d85 s LEU 161 CO 0.70 -0.37 0.00 0.35 -1.32 0.00 0.00 176.35 175.72 3d85 n THR 162 N 5.05 0.00 -2.14 3.68 -2.24 -1.26 -4.13 114.28 113.24 3d85 n THR 162 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3d85 n THR 162 Cb 0.47 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 3d85 n THR 162 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3d85 s SER 163 N -2.17 6.81 0.00 3.42 0.01 -1.26 -3.01 113.70 117.49 3d85 s SER 163 Ca 0.00 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.82 3d85 s SER 163 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3d85 s SER 163 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 3d85 n GLY 164 N 1.75 0.35 3.77 3.44 0.00 -1.26 -4.73 105.19 108.52 3d85 n GLY 164 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3d85 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d85 s VAL 165 N -1.74 4.71 -0.14 1.61 1.01 -1.16 -2.83 120.40 121.85 3d85 s VAL 165 Ca 0.00 1.46 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 3d85 s VAL 165 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3d85 s VAL 165 CO 0.00 0.45 -0.10 -1.00 0.00 0.00 0.00 175.10 174.45 3d85 s HIS 166 N -0.51 1.80 -0.29 5.22 3.76 0.59 -4.99 115.29 120.87 3d85 s HIS 166 Ca 0.34 -1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 3d85 s HIS 166 Cb -0.20 -1.40 0.03 0.00 1.11 0.00 0.00 32.58 32.12 3d85 s HIS 166 CO 0.21 -0.59 0.04 0.99 -0.85 0.00 0.00 174.74 174.53 3d85 s THR 167 N 1.60 3.50 0.59 1.30 2.01 -1.26 -0.49 115.64 122.89 3d85 s THR 167 Ca 0.04 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 3d85 s THR 167 Cb -0.13 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 3d85 s THR 167 CO -0.09 0.03 1.10 -0.36 -0.69 0.00 0.00 174.62 174.62 3d85 s PHE 168 N 1.40 2.73 0.53 4.92 0.40 -0.58 -5.00 117.98 122.37 3d85 s PHE 168 Ca -0.00 1.54 -0.21 0.00 -0.60 0.00 0.00 56.93 57.66 3d85 s PHE 168 Cb -0.18 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 3d85 s PHE 168 CO 0.00 -1.49 1.25 -1.25 0.70 0.00 0.00 175.22 174.44 3d85 s PRO 169 N -3.73 3.29 0.52 0.24 0.04 -1.26 -4.65 135.00 129.46 3d85 s PRO 169 Ca 0.69 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 63.50 3d85 s PRO 169 Cb -0.21 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.05 3d85 s PRO 169 CO 0.34 -0.99 1.13 0.00 0.04 0.00 0.00 177.00 177.51 3d85 s ALA 170 N -1.46 2.76 -0.08 8.56 0.00 -1.26 -4.82 121.76 125.46 3d85 s ALA 170 Ca 0.71 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.53 3d85 s ALA 170 Cb -0.34 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 3d85 s ALA 170 CO 0.39 -0.70 -0.21 0.08 0.00 0.00 0.00 175.76 175.33 3d85 s VAL 171 N -1.75 2.43 -0.23 0.00 1.01 -0.80 -4.94 120.40 116.13 3d85 s VAL 171 Ca 0.71 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3d85 s VAL 171 Cb -0.24 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3d85 s VAL 171 CO 0.27 0.56 0.91 -0.22 0.00 0.00 0.00 175.10 176.62 3d85 s LEU 172 N -0.02 4.10 0.69 3.92 2.96 -1.26 -2.07 118.68 127.00 3d85 s LEU 172 Ca -0.06 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 3d85 s LEU 172 Cb -0.15 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.26 3d85 s LEU 172 CO 0.05 -0.56 1.02 -1.10 -1.32 0.00 0.00 176.35 174.44 3d85 s GLN 173 N 2.86 2.39 0.53 1.98 -0.21 0.97 -4.93 119.66 123.25 3d85 s GLN 173 Ca 0.39 -0.08 0.36 0.00 0.02 0.00 0.00 55.36 56.04 3d85 s GLN 173 Cb -0.15 -2.15 1.79 0.00 1.00 0.00 0.00 33.01 33.50 3d85 s GLN 173 CO 0.08 -1.15 2.08 0.66 -2.12 0.00 0.00 175.29 174.83 3d85 h SER 174 N -0.57 0.00 0.71 5.90 4.64 -1.96 0.21 113.55 122.48 3d85 h SER 174 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3d85 h SER 174 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3d85 h SER 174 CO 0.61 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 3d85 n SER 175 N -2.84 0.27 0.00 4.97 3.41 -1.26 -4.85 113.62 113.32 3d85 n SER 175 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3d85 n SER 175 Cb 0.14 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3d85 n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d85 n GLY 176 N 0.30 0.79 3.78 5.00 0.00 0.74 -5.06 105.19 110.75 3d85 n GLY 176 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3d85 n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d85 s LEU 177 N 0.00 3.80 0.33 0.99 1.43 -1.25 -4.83 118.68 119.15 3d85 s LEU 177 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3d85 s LEU 177 Cb 0.00 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 3d85 s LEU 177 CO 0.00 0.14 0.53 -0.31 0.23 0.00 0.00 176.35 176.94 3d85 s TYR 178 N -1.51 3.50 -0.02 0.29 2.02 0.40 -0.02 117.35 122.01 3d85 s TYR 178 Ca 0.30 0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 57.15 3d85 s TYR 178 Cb -0.11 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3d85 s TYR 178 CO 0.22 0.15 0.38 0.45 -1.57 0.00 0.00 175.55 175.19 3d85 s SER 179 N -3.99 -0.28 0.23 2.29 0.15 -0.88 -1.04 113.70 110.18 3d85 s SER 179 Ca 0.40 0.19 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 3d85 s SER 179 Cb -0.10 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 3d85 s SER 179 CO 0.35 -0.49 0.59 -1.48 1.20 0.00 0.00 173.24 173.42 3d85 s LEU 180 N -1.34 -0.09 0.15 3.45 0.05 0.67 -1.90 118.68 119.66 3d85 s LEU 180 Ca -0.13 -0.52 0.10 0.00 0.05 0.00 0.00 54.13 53.64 3d85 s LEU 180 Cb -0.04 2.36 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 3d85 s LEU 180 CO 0.05 -1.15 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.02 3d85 s SER 181 N -2.89 3.09 -0.06 1.48 0.01 -1.26 0.01 113.70 114.07 3d85 s SER 181 Ca 0.10 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 56.61 3d85 s SER 181 Cb -0.03 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.00 3d85 s SER 181 CO 0.01 0.10 -0.19 -0.55 0.41 0.00 0.00 173.24 173.02 3d85 s SER 182 N -2.31 2.41 0.24 2.44 0.15 -0.15 -1.53 113.70 114.95 3d85 s SER 182 Ca 0.15 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.43 3d85 s SER 182 Cb -0.09 -0.88 -0.05 0.00 -1.71 0.00 0.00 66.02 63.29 3d85 s SER 182 CO 0.07 0.14 -0.02 0.68 1.20 0.00 0.00 173.24 175.31 3d85 s VAL 183 N 0.23 1.19 -0.07 4.45 -7.23 0.35 -0.82 120.40 118.51 3d85 s VAL 183 Ca -0.10 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.86 3d85 s VAL 183 Cb -0.14 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.48 3d85 s VAL 183 CO 0.04 -0.34 0.37 0.54 -0.31 0.00 0.00 175.10 175.40 3d85 s VAL 184 N -3.31 0.03 -0.11 1.32 0.11 -0.25 -0.30 120.40 117.89 3d85 s VAL 184 Ca 0.28 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3d85 s VAL 184 Cb 0.05 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3d85 s VAL 184 CO 0.09 -0.14 0.02 0.42 -3.33 0.00 0.00 175.10 172.16 3d85 s THR 185 N -0.70 4.41 0.23 5.04 -4.23 -1.13 -1.91 115.64 117.36 3d85 s THR 185 Ca -0.08 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.25 3d85 s THR 185 Cb -0.04 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 3d85 s THR 185 CO 0.03 0.57 0.07 0.68 -0.54 0.00 0.00 174.62 175.43 3d85 s VAL 186 N -0.50 0.60 0.19 2.29 -7.23 -0.05 -4.79 120.40 110.91 3d85 s VAL 186 Ca 0.09 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 3d85 s VAL 186 Cb -0.12 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 3d85 s VAL 186 CO 0.02 -0.14 1.52 -2.84 -0.31 0.00 0.00 175.10 173.36 3d85 s PRO 187 N -4.00 4.23 0.54 4.82 0.02 -1.26 -0.71 135.00 138.64 3d85 s PRO 187 Ca 0.34 2.33 0.29 0.00 0.02 0.00 0.00 61.00 63.98 3d85 s PRO 187 Cb 0.07 -3.15 1.53 0.00 0.02 0.00 0.00 34.50 32.98 3d85 s PRO 187 CO 0.11 -0.54 2.10 0.66 -0.33 0.00 0.00 177.00 178.99 3d85 h SER 188 N 6.27 0.00 0.67 2.53 4.64 -0.73 -1.46 113.55 125.47 3d85 h SER 188 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3d85 h SER 188 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3d85 h SER 188 CO 0.87 0.10 -0.06 0.77 -0.87 0.00 0.00 176.83 177.64 3d85 h SER 189 N 0.00 0.00 1.21 4.97 4.64 -1.89 -2.83 113.55 119.64 3d85 h SER 189 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d85 h SER 189 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3d85 h SER 189 CO 0.01 0.06 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.43 3d85 n SER 190 N -3.25 0.46 -0.26 4.97 3.41 -0.55 -4.33 113.62 114.08 3d85 n SER 190 Ca -0.01 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 3d85 n SER 190 Cb 0.26 -0.58 0.35 0.00 -0.26 0.00 0.00 64.21 63.99 3d85 n SER 190 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d85 h LEU 191 N 0.00 0.69 -0.11 1.04 3.38 -1.61 0.24 115.31 118.93 3d85 h LEU 191 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d85 h LEU 191 Cb 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3d85 h LEU 191 CO 0.00 0.38 -0.33 0.61 0.09 0.00 0.00 178.44 179.19 3d85 n GLY 192 N -1.43 -1.15 0.44 0.83 0.00 -1.26 -4.43 105.19 98.19 3d85 n GLY 192 Ca 0.16 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3d85 n GLY 192 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d85 n THR 193 N -1.30 1.13 -3.23 2.61 -1.04 -0.64 -5.00 114.28 106.81 3d85 n THR 193 Ca 0.08 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 3d85 n THR 193 Cb 0.33 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 3d85 n THR 193 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3d85 s GLN 194 N -2.41 4.34 0.35 -2.82 2.00 0.74 -5.07 119.66 116.78 3d85 s GLN 194 Ca -0.23 0.55 -0.14 0.00 -2.00 0.00 0.00 55.36 53.55 3d85 s GLN 194 Cb 0.07 -3.46 -0.08 0.00 0.80 0.00 0.00 33.01 30.34 3d85 s GLN 194 CO 0.30 0.07 0.75 0.95 -0.50 0.00 0.00 175.29 176.86 3d85 s THR 195 N 0.87 4.71 -0.11 -0.34 -4.23 -1.26 -4.70 115.64 110.58 3d85 s THR 195 Ca 0.29 0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 61.64 3d85 s THR 195 Cb -0.16 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.07 3d85 s THR 195 CO 0.12 -0.28 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.54 3d85 s TYR 196 N -2.10 1.37 -0.06 3.99 1.51 -1.26 -4.97 117.35 115.83 3d85 s TYR 196 Ca 0.53 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 3d85 s TYR 196 Cb -0.10 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3d85 s TYR 196 CO 0.21 -0.50 -0.17 0.42 -1.11 0.00 0.00 175.55 174.41 3d85 s ILE 197 N 1.74 1.46 -0.18 2.71 1.01 -1.26 0.06 121.20 126.75 3d85 s ILE 197 Ca 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 3d85 s ILE 197 Cb -0.13 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 3d85 s ILE 197 CO -0.08 0.42 0.15 0.00 0.00 0.00 0.00 174.94 175.43 3d85 s ASN 199 N 0.00 5.67 -0.16 0.00 -0.87 0.22 -0.92 114.94 118.89 3d85 s ASN 199 Ca 0.10 -0.28 0.01 0.00 -1.57 0.00 0.00 52.86 51.12 3d85 s ASN 199 Cb -0.11 -2.04 0.01 0.00 -0.02 0.00 0.00 41.25 39.08 3d85 s ASN 199 CO 0.00 -0.12 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.54 3d85 s VAL 200 N 1.67 2.33 -0.07 1.60 1.01 0.20 -1.17 120.40 125.97 3d85 s VAL 200 Ca 0.06 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3d85 s VAL 200 Cb -0.16 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3d85 s VAL 200 CO 0.08 0.53 -0.23 0.20 0.00 0.00 0.00 175.10 175.68 3d85 s ASN 201 N 0.96 2.88 -0.39 3.32 0.01 -0.39 -0.73 114.94 120.60 3d85 s ASN 201 Ca -0.03 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.64 3d85 s ASN 201 Cb -0.15 -1.04 0.12 0.00 0.41 0.00 0.00 41.25 40.59 3d85 s ASN 201 CO -0.04 0.19 0.17 -2.28 -1.51 0.00 0.00 177.10 173.63 3d85 s HIS 202 N 0.12 2.19 0.23 2.20 5.65 -0.57 -0.96 115.29 124.14 3d85 s HIS 202 Ca -0.10 -2.32 -0.08 0.00 0.25 0.00 0.00 55.06 52.81 3d85 s HIS 202 Cb -0.15 -2.02 0.22 0.00 -1.18 0.00 0.00 32.58 29.45 3d85 s HIS 202 CO 0.06 -0.83 1.90 0.87 -0.65 0.00 0.00 174.74 176.08 3d85 h LYS 203 N 7.27 1.11 -0.09 2.88 1.57 -1.82 -1.69 116.57 125.80 3d85 h LYS 203 Ca -0.06 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3d85 h LYS 203 Cb 0.97 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3d85 h LYS 203 CO 0.50 0.73 0.14 -1.35 -0.57 0.00 0.00 179.45 178.90 3d85 h PRO 204 N 1.14 0.00 -0.24 3.15 0.11 -1.87 0.64 132.00 134.94 3d85 h PRO 204 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3d85 h PRO 204 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3d85 h PRO 204 CO -0.08 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.58 3d85 n SER 205 N -3.56 2.60 -4.06 -2.05 3.41 -1.08 -4.96 113.62 103.92 3d85 n SER 205 Ca -0.01 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.40 3d85 n SER 205 Cb 0.23 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3d85 n SER 205 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d85 n ASN 206 N 0.33 -1.13 -4.72 4.04 4.13 0.22 -4.88 115.26 113.24 3d85 n ASN 206 Ca 0.09 -1.03 -0.35 0.00 1.68 0.00 0.00 54.58 54.97 3d85 n ASN 206 Cb 0.37 -2.87 -0.09 0.00 -1.54 0.00 0.00 39.78 35.65 3d85 n ASN 206 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3d85 s THR 207 N -3.80 4.89 -0.06 3.41 2.01 -0.69 -5.00 115.64 116.41 3d85 s THR 207 Ca 0.22 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 3d85 s THR 207 Cb -0.12 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.27 3d85 s THR 207 CO 0.91 0.54 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.83 3d85 s LYS 208 N -0.33 0.61 -0.04 4.92 1.02 -1.26 -1.51 119.74 123.14 3d85 s LYS 208 Ca 0.09 0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.16 3d85 s LYS 208 Cb -0.12 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 3d85 s LYS 208 CO 0.02 -0.23 -0.09 0.08 -0.92 0.00 0.00 175.35 174.21 3d85 s VAL 209 N 1.62 0.82 -0.29 3.17 1.01 0.10 -5.00 120.40 121.83 3d85 s VAL 209 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3d85 s VAL 209 Cb -0.13 -0.77 0.07 0.00 0.00 0.00 0.00 36.38 35.55 3d85 s VAL 209 CO -0.04 0.28 -0.05 -1.81 0.00 0.00 0.00 175.10 173.48 3d85 s ASP 210 N 0.56 4.64 -0.22 3.32 1.01 -1.26 0.58 116.67 125.30 3d85 s ASP 210 Ca -0.10 -1.51 -0.04 0.00 0.71 0.00 0.00 52.55 51.61 3d85 s ASP 210 Cb -0.13 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 3d85 s ASP 210 CO 0.01 -0.25 -0.02 -0.75 0.21 0.00 0.00 175.17 174.37 3d85 s LYS 211 N 1.11 3.47 0.05 8.23 2.47 -0.09 -4.91 119.74 130.08 3d85 s LYS 211 Ca -0.04 -0.58 -0.30 0.00 -1.56 0.00 0.00 55.97 53.48 3d85 s LYS 211 Cb -0.20 -3.06 -0.05 0.00 -1.46 0.00 0.00 37.83 33.07 3d85 s LYS 211 CO -0.04 -0.13 1.02 0.21 0.16 0.00 0.00 175.35 176.56 3d85 s LYS 212 N 1.35 4.58 -0.26 4.03 2.20 -1.26 -0.82 119.74 129.56 3d85 s LYS 212 Ca 0.04 1.51 -0.06 0.00 -0.36 0.00 0.00 55.97 57.10 3d85 s LYS 212 Cb -0.14 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3d85 s LYS 212 CO -0.01 -0.00 0.05 0.08 -0.36 0.00 0.00 175.35 175.11 3d85 s VAL 213 N 0.64 3.96 0.22 4.02 1.01 0.11 -4.91 120.40 125.45 3d85 s VAL 213 Ca 0.52 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3d85 s VAL 213 Cb -0.24 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3d85 s VAL 213 CO 0.29 0.23 -0.07 -1.83 0.00 0.00 0.00 175.10 173.73 3d85 s GLU 214 N 1.53 1.33 0.36 2.72 -1.05 -1.26 -4.33 118.70 118.01 3d85 s GLU 214 Ca 0.04 -1.64 -0.28 0.00 -0.15 0.00 0.00 54.97 52.94 3d85 s GLU 214 Cb -0.16 -0.87 -0.11 0.00 -0.44 0.00 0.00 34.13 32.55 3d85 s GLU 214 CO 0.02 0.04 1.47 -2.30 0.95 0.00 0.00 175.26 175.43 3d85 n PRO 215 N -0.41 2.60 -2.25 -4.83 -0.02 -1.26 -4.53 135.00 124.30 3d85 n PRO 215 Ca -0.07 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 3d85 n PRO 215 Cb 0.62 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3d85 n PRO 215 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3d85 s LYS 216 N -1.93 4.27 0.00 -0.52 2.47 -1.26 -5.04 119.74 117.74 3d85 s LYS 216 Ca 0.54 1.91 0.00 0.00 -1.56 0.00 0.00 55.97 56.87 3d85 s LYS 216 Cb -0.49 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 3d85 s LYS 216 CO 0.62 -0.61 0.00 0.43 0.16 0.00 0.00 175.35 175.95