#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 n SER 2 N 0.00 -8.78 0.19 1.61 7.64 -1.26 -5.05 113.62 107.98 1ue9 n SER 2 Ca 0.00 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.29 1ue9 n SER 2 Cb 0.00 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.28 1ue9 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ue9 n SER 3 N 1.81 -3.28 -3.63 6.43 7.64 -1.26 -5.07 113.62 116.26 1ue9 n SER 3 Ca 0.00 0.73 -0.29 0.00 1.01 0.00 0.00 58.87 60.32 1ue9 n SER 3 Cb 0.00 3.13 -0.14 0.00 -1.01 0.00 0.00 64.21 66.19 1ue9 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ue9 s GLY 4 N -2.25 0.97 0.14 0.23 0.00 -1.26 -4.95 107.32 100.21 1ue9 s GLY 4 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1ue9 s GLY 4 CO 0.00 1.80 0.00 -1.26 0.00 0.00 0.00 173.10 173.64 1ue9 n SER 5 N 4.62 0.37 -4.55 1.64 2.88 -1.26 -4.95 113.62 112.37 1ue9 n SER 5 Ca 0.01 0.23 -0.26 0.00 -1.33 0.00 0.00 58.87 57.52 1ue9 n SER 5 Cb 0.40 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 1ue9 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ue9 n SER 6 N -3.24 1.87 0.00 -3.46 2.88 -1.26 -4.56 113.62 105.84 1ue9 n SER 6 Ca 0.00 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 1ue9 n SER 6 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 1ue9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 7 N 6.34 3.99 3.65 0.46 0.00 -1.26 -5.05 105.19 113.32 1ue9 n GLY 7 Ca 0.44 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1ue9 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ue9 s GLU 8 N -4.34 4.15 0.09 1.61 2.02 -1.25 -4.84 118.70 116.13 1ue9 s GLU 8 Ca 0.00 1.81 -0.13 0.00 0.02 0.00 0.00 54.97 56.67 1ue9 s GLU 8 Cb 0.00 -3.88 -0.06 0.00 0.10 0.00 0.00 34.13 30.29 1ue9 s GLU 8 CO 0.00 -0.85 0.46 0.42 0.02 0.00 0.00 175.26 175.32 1ue9 s ILE 9 N 3.93 4.98 -0.04 -1.63 -1.09 -1.26 0.17 121.20 126.26 1ue9 s ILE 9 Ca 0.63 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1ue9 s ILE 9 Cb -0.26 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 1ue9 s ILE 9 CO 0.22 0.33 -0.04 0.00 -1.23 0.00 0.00 174.94 174.21 1ue9 s ALA 10 N -1.36 0.62 -0.25 9.38 0.00 -0.17 -2.96 121.76 127.02 1ue9 s ALA 10 Ca 0.33 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 1ue9 s ALA 10 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1ue9 s ALA 10 CO 0.18 -0.00 0.46 -1.14 0.00 0.00 0.00 175.76 175.25 1ue9 s GLN 11 N 0.87 4.08 0.30 0.00 0.74 0.06 -1.23 119.66 124.48 1ue9 s GLN 11 Ca -0.11 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.23 1ue9 s GLN 11 Cb -0.14 -3.63 -0.12 0.00 1.10 0.00 0.00 33.01 30.22 1ue9 s GLN 11 CO 0.00 -0.26 1.51 0.28 -0.55 0.00 0.00 175.29 176.27 1ue9 n VAL 12 N 4.96 1.26 -0.02 1.34 0.31 -0.68 -0.05 118.33 125.45 1ue9 n VAL 12 Ca -0.06 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.94 1ue9 n VAL 12 Cb 0.50 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1ue9 n VAL 12 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ue9 n THR 13 N 1.65 0.28 -3.80 2.52 -2.24 0.51 -4.01 114.28 109.19 1ue9 n THR 13 Ca 0.08 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1ue9 n THR 13 Cb 0.36 -0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 1ue9 n THR 13 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ue9 s SER 14 N -3.43 0.04 0.42 3.42 0.01 0.87 -4.91 113.70 110.14 1ue9 s SER 14 Ca -0.02 0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.01 1ue9 s SER 14 Cb 0.02 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.12 1ue9 s SER 14 CO 0.20 -0.09 1.41 0.00 0.41 0.00 0.00 173.24 175.17 1ue9 s ALA 15 N 0.75 3.31 0.10 1.44 0.00 -1.26 -4.66 121.76 121.43 1ue9 s ALA 15 Ca -0.06 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.36 1ue9 s ALA 15 Cb -0.09 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1ue9 s ALA 15 CO -0.02 -1.07 -0.10 -0.47 0.00 0.00 0.00 175.76 174.10 1ue9 s TYR 16 N -1.20 1.07 -0.23 0.00 5.04 -0.01 -4.97 117.35 117.05 1ue9 s TYR 16 Ca 0.58 -0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1ue9 s TYR 16 Cb -0.43 -0.59 0.07 0.00 0.35 0.00 0.00 41.96 41.36 1ue9 s TYR 16 CO 0.56 0.00 0.00 0.08 -1.34 0.00 0.00 175.55 174.85 1ue9 s VAL 17 N -2.46 1.08 1.37 3.14 1.01 -1.26 -3.05 120.40 120.24 1ue9 s VAL 17 Ca 0.06 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 1ue9 s VAL 17 Cb -0.03 -1.51 0.34 0.00 0.00 0.00 0.00 36.38 35.18 1ue9 s VAL 17 CO 0.00 -0.23 0.83 0.00 0.00 0.00 0.00 175.10 175.70 1ue9 n ALA 18 N 4.83 -4.34 0.00 5.51 0.00 -1.26 -4.97 120.51 120.27 1ue9 n ALA 18 Ca -0.09 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1ue9 n ALA 18 Cb 0.45 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ue9 n SER 19 N -5.13 0.00 -3.79 0.00 7.64 -1.26 -5.03 113.62 106.05 1ue9 n SER 19 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ue9 n SER 19 Cb 0.57 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1ue9 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 20 N -1.46 -2.91 0.02 0.23 0.00 -1.26 -4.97 105.19 94.84 1ue9 n GLY 20 Ca 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.80 1ue9 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ue9 n SER 21 N -0.01 0.97 -2.17 1.61 2.88 -1.26 -4.44 113.62 111.20 1ue9 n SER 21 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1ue9 n SER 21 Cb 0.00 1.61 0.03 0.00 -0.75 0.00 0.00 64.21 65.11 1ue9 n SER 21 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ue9 n GLU 22 N -2.22 3.35 -4.30 -1.46 0.28 -1.26 -5.01 120.64 110.02 1ue9 n GLU 22 Ca -0.08 -3.97 -0.28 0.00 -0.16 0.00 0.00 57.16 52.67 1ue9 n GLU 22 Cb 0.58 -2.28 -0.10 0.00 1.43 0.00 0.00 31.44 31.07 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1ue9 s GLN 23 N -3.67 1.92 -0.09 3.44 -0.21 -1.26 0.25 119.66 120.05 1ue9 s GLN 23 Ca 0.54 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.71 1ue9 s GLN 23 Cb 0.43 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 32.33 1ue9 s GLN 23 CO -0.01 0.45 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.27 1ue9 s LEU 24 N -2.52 1.85 0.11 2.90 2.96 -1.03 -4.50 118.68 118.45 1ue9 s LEU 24 Ca 0.22 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 1ue9 s LEU 24 Cb -0.10 -1.11 -0.07 0.00 0.50 0.00 0.00 46.19 45.42 1ue9 s LEU 24 CO 0.13 0.09 1.20 -0.94 -1.32 0.00 0.00 176.35 175.50 1ue9 s SER 25 N 0.57 7.09 0.10 3.68 1.04 -1.26 -4.57 113.70 120.34 1ue9 s SER 25 Ca -0.15 2.10 0.06 0.00 0.48 0.00 0.00 55.95 58.44 1ue9 s SER 25 Cb -0.17 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 1ue9 s SER 25 CO 0.05 -0.43 -0.05 -0.76 0.98 0.00 0.00 173.24 173.04 1ue9 s LEU 26 N 0.54 3.26 0.02 2.42 1.43 -1.17 -4.98 118.68 120.20 1ue9 s LEU 26 Ca 0.56 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1ue9 s LEU 26 Cb -0.31 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 1ue9 s LEU 26 CO 0.32 0.17 -0.07 0.00 0.23 0.00 0.00 176.35 177.00 1ue9 s ALA 27 N -1.28 0.56 -0.39 4.21 0.00 -1.26 -0.83 121.76 122.76 1ue9 s ALA 27 Ca 0.24 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1ue9 s ALA 27 Cb -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1ue9 s ALA 27 CO 0.16 0.05 1.40 -1.25 0.00 0.00 0.00 175.76 176.12 1ue9 s PRO 28 N -0.97 3.62 0.00 0.00 0.04 -1.26 -2.45 135.00 133.97 1ue9 s PRO 28 Ca -0.04 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1ue9 s PRO 28 Cb -0.07 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1ue9 s PRO 28 CO 0.00 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.95 1ue9 n GLY 29 N 4.97 1.20 3.66 0.56 0.00 -1.26 -5.03 105.19 109.29 1ue9 n GLY 29 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1ue9 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ue9 s GLN 30 N 0.00 2.45 0.15 1.61 -0.21 -1.03 -4.97 119.66 117.66 1ue9 s GLN 30 Ca 0.00 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 54.55 1ue9 s GLN 30 Cb 0.00 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1ue9 s GLN 30 CO 0.00 0.53 0.10 -0.51 -2.12 0.00 0.00 175.29 173.29 1ue9 s LEU 31 N -2.29 3.70 -0.01 2.90 2.01 -1.26 -1.69 118.68 122.03 1ue9 s LEU 31 Ca 0.25 -0.16 0.01 0.00 0.01 0.00 0.00 54.13 54.24 1ue9 s LEU 31 Cb -0.12 -2.33 0.01 0.00 0.01 0.00 0.00 46.19 43.76 1ue9 s LEU 31 CO 0.17 0.09 -0.04 -0.63 1.01 0.00 0.00 176.35 176.96 1ue9 s ILE 32 N -1.67 0.35 -0.35 -0.59 1.01 -0.37 0.16 121.20 119.74 1ue9 s ILE 32 Ca 0.30 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1ue9 s ILE 32 Cb -0.10 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1ue9 s ILE 32 CO 0.22 0.13 0.75 -0.22 0.00 0.00 0.00 174.94 175.82 1ue9 s LEU 33 N 0.24 4.14 0.17 2.97 2.96 0.11 -0.99 118.68 128.27 1ue9 s LEU 33 Ca -0.02 0.38 -0.31 0.00 -0.22 0.00 0.00 54.13 53.95 1ue9 s LEU 33 Cb -0.06 -2.98 -0.09 0.00 0.50 0.00 0.00 46.19 43.56 1ue9 s LEU 33 CO -0.00 -0.68 1.40 -0.63 -1.32 0.00 0.00 176.35 175.12 1ue9 s ILE 34 N 2.99 3.07 -0.07 6.68 -1.09 0.46 0.73 121.20 133.97 1ue9 s ILE 34 Ca 0.30 0.82 -0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1ue9 s ILE 34 Cb -0.14 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1ue9 s ILE 34 CO 0.16 0.09 -0.07 0.18 -1.23 0.00 0.00 174.94 174.07 1ue9 n LEU 35 N 3.30 2.45 -4.18 2.97 4.77 0.38 -3.85 117.00 122.85 1ue9 n LEU 35 Ca 0.09 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1ue9 n LEU 35 Cb 0.42 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1ue9 n LEU 35 CO 0.59 0.51 -0.29 -0.54 -1.33 0.00 0.00 177.39 176.33 1ue9 s LYS 36 N -2.14 1.01 0.10 3.23 1.02 0.13 -4.97 119.74 118.13 1ue9 s LYS 36 Ca -0.09 -1.49 0.04 0.00 0.02 0.00 0.00 55.97 54.44 1ue9 s LYS 36 Cb 0.03 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1ue9 s LYS 36 CO 0.15 -0.26 -0.10 0.15 -0.92 0.00 0.00 175.35 174.37 1ue9 s LYS 37 N -4.04 0.87 0.17 1.68 1.02 -1.26 -0.90 119.74 117.28 1ue9 s LYS 37 Ca 0.27 -1.20 0.06 0.00 0.02 0.00 0.00 55.97 55.12 1ue9 s LYS 37 Cb 0.07 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 1ue9 s LYS 37 CO 0.04 0.08 -0.13 1.21 -0.92 0.00 0.00 175.35 175.63 1ue9 s ASN 38 N -2.55 2.24 0.34 2.83 3.84 -0.36 -4.93 114.94 116.36 1ue9 s ASN 38 Ca 0.07 -0.99 0.19 0.00 0.21 0.00 0.00 52.86 52.34 1ue9 s ASN 38 Cb -0.02 -0.09 0.18 0.00 -0.55 0.00 0.00 41.25 40.77 1ue9 s ASN 38 CO -0.00 -0.22 1.50 0.71 -2.79 0.00 0.00 177.10 176.30 1ue9 h THR 39 N 2.76 0.47 0.00 -5.21 1.35 -2.02 -3.16 112.91 107.10 1ue9 h THR 39 Ca -0.38 -1.67 -0.13 0.00 -0.55 0.00 0.00 66.41 63.68 1ue9 h THR 39 Cb 1.21 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 69.83 1ue9 h THR 39 CO 0.61 0.27 -0.63 0.28 -0.25 0.00 0.00 175.52 175.80 1ue9 h SER 40 N 0.00 0.00 0.00 5.36 0.02 -2.04 -3.46 113.55 113.43 1ue9 h SER 40 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ue9 h SER 40 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ue9 h SER 40 CO 0.04 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1ue9 n GLY 41 N 0.81 0.83 3.66 -3.77 0.00 -1.19 -5.05 105.19 100.47 1ue9 n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ue9 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 42 N -1.76 3.36 -0.03 1.61 0.52 -1.26 -1.69 118.94 119.69 1ue9 s TRP 42 Ca 0.00 1.38 0.01 0.00 0.02 0.00 0.00 56.10 57.51 1ue9 s TRP 42 Cb 0.00 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 1ue9 s TRP 42 CO 0.00 -0.40 -0.04 -1.58 0.02 0.00 0.00 176.95 174.95 1ue9 s TRP 43 N 2.86 3.00 -0.46 -1.98 0.52 0.27 -1.22 118.94 121.91 1ue9 s TRP 43 Ca 0.42 0.05 -0.05 0.00 0.02 0.00 0.00 56.10 56.53 1ue9 s TRP 43 Cb -0.16 -1.68 0.12 0.00 -1.15 0.00 0.00 33.47 30.61 1ue9 s TRP 43 CO 0.08 0.40 0.29 -1.14 0.02 0.00 0.00 176.95 176.60 1ue9 s GLN 44 N -1.24 2.24 0.06 4.98 0.74 -0.08 -0.24 119.66 126.12 1ue9 s GLN 44 Ca 0.16 -1.90 0.00 0.00 0.05 0.00 0.00 55.36 53.67 1ue9 s GLN 44 Cb -0.11 -3.72 -0.00 0.00 1.10 0.00 0.00 33.01 30.28 1ue9 s GLN 44 CO 0.06 -1.13 0.01 0.41 -0.55 0.00 0.00 175.29 174.10 1ue9 n GLY 45 N 4.54 4.04 2.95 2.59 0.00 -1.17 0.14 105.19 118.28 1ue9 n GLY 45 Ca -0.02 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1ue9 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ue9 s GLU 46 N -2.22 1.36 0.07 1.61 2.12 0.22 -3.15 118.70 118.71 1ue9 s GLU 46 Ca 0.02 -0.26 -0.36 0.00 0.36 0.00 0.00 54.97 54.72 1ue9 s GLU 46 Cb 0.00 -1.26 -0.16 0.00 0.26 0.00 0.00 34.13 32.97 1ue9 s GLU 46 CO 0.01 -0.09 1.45 -0.11 -0.54 0.00 0.00 175.26 175.98 1ue9 n LEU 47 N 4.21 2.10 -1.47 2.70 0.00 -0.80 0.04 117.00 123.77 1ue9 n LEU 47 Ca -0.20 1.10 -0.07 0.00 0.00 0.00 0.00 56.01 56.84 1ue9 n LEU 47 Cb 0.51 -1.25 0.12 0.00 0.00 0.00 0.00 43.42 42.80 1ue9 n LEU 47 CO 0.22 -0.79 0.78 0.00 0.00 0.00 0.00 177.39 177.60 1ue9 n GLN 48 N 3.10 2.00 -2.63 1.96 1.13 0.43 -4.68 117.38 118.68 1ue9 n GLN 48 Ca 0.19 -1.48 -0.01 0.00 -1.94 0.00 0.00 57.00 53.76 1ue9 n GLN 48 Cb 0.21 -1.66 0.01 0.00 0.11 0.00 0.00 30.24 28.91 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 n ALA 49 N -0.12 -1.35 -2.08 -1.58 0.00 -1.26 -4.77 120.51 109.36 1ue9 n ALA 49 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ue9 n ALA 49 Cb 0.96 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.64 1ue9 n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ue9 n ARG 50 N -0.36 -5.27 -3.67 0.00 5.12 -1.26 -4.83 116.66 106.39 1ue9 n ARG 50 Ca -0.00 3.78 -0.37 0.00 -1.93 0.00 0.00 57.85 59.33 1ue9 n ARG 50 Cb 0.27 -4.21 -0.07 0.00 -1.16 0.00 0.00 32.46 27.30 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ue9 s GLY 51 N -0.51 2.22 0.16 -0.13 0.00 -1.26 -4.73 107.32 103.06 1ue9 s GLY 51 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1ue9 s GLY 51 CO 0.00 0.07 0.00 1.17 0.00 0.00 0.00 173.10 174.34 1ue9 n LYS 52 N 2.72 0.00 -2.68 2.90 4.81 -1.26 -5.02 118.16 119.63 1ue9 n LYS 52 Ca -0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.23 1ue9 n LYS 52 Cb 0.53 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.66 1ue9 n LYS 52 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ue9 n LYS 53 N -3.08 0.53 -3.17 1.64 5.02 -1.26 -5.05 118.16 112.79 1ue9 n LYS 53 Ca 0.00 -1.18 -0.16 0.00 -2.02 0.00 0.00 58.31 54.95 1ue9 n LYS 53 Cb 0.00 -0.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.71 1ue9 n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ue9 n ARG 54 N 0.06 -0.91 -1.66 1.97 5.12 -1.26 -4.69 116.66 115.29 1ue9 n ARG 54 Ca -0.07 0.98 -0.47 0.00 -1.93 0.00 0.00 57.85 56.35 1ue9 n ARG 54 Cb 0.73 -1.32 -0.05 0.00 -1.16 0.00 0.00 32.46 30.67 1ue9 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ue9 n GLN 55 N 0.64 2.01 -3.65 5.56 3.00 -1.26 -4.93 117.38 118.74 1ue9 n GLN 55 Ca -0.04 0.73 -0.05 0.00 -0.01 0.00 0.00 57.00 57.63 1ue9 n GLN 55 Cb 0.54 -2.49 -0.07 0.00 0.00 0.00 0.00 30.24 28.22 1ue9 n GLN 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ue9 s LYS 56 N 1.56 0.54 0.03 -1.09 2.36 -1.26 -1.90 119.74 119.98 1ue9 s LYS 56 Ca 0.83 1.24 -0.15 0.00 -2.55 0.00 0.00 55.97 55.34 1ue9 s LYS 56 Cb -0.73 0.47 0.05 0.00 -1.05 0.00 0.00 37.83 36.58 1ue9 s LYS 56 CO 0.42 -0.19 0.68 0.41 1.55 0.00 0.00 175.35 178.22 1ue9 n GLY 57 N 5.01 0.58 3.72 5.54 0.00 -1.19 -4.77 105.19 114.07 1ue9 n GLY 57 Ca -0.15 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1ue9 n GLY 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 58 N -2.95 3.40 0.08 1.61 0.52 0.14 -3.07 118.94 118.67 1ue9 s TRP 58 Ca 0.16 0.34 -0.00 0.00 0.02 0.00 0.00 56.10 56.61 1ue9 s TRP 58 Cb -0.01 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 1ue9 s TRP 58 CO 0.01 0.24 -0.03 -0.59 0.02 0.00 0.00 176.95 176.60 1ue9 s PHE 59 N 0.51 0.68 0.08 -1.98 -0.12 0.66 -2.47 117.98 115.35 1ue9 s PHE 59 Ca 0.09 -1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 55.61 1ue9 s PHE 59 Cb -0.12 -0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 41.77 1ue9 s PHE 59 CO -0.00 -0.34 1.16 -1.25 -0.05 0.00 0.00 175.22 174.74 1ue9 s PRO 60 N -3.92 4.48 0.41 1.99 0.04 -1.26 0.94 135.00 137.68 1ue9 s PRO 60 Ca 0.11 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.16 1ue9 s PRO 60 Cb 0.07 -3.34 1.14 0.00 0.04 0.00 0.00 34.50 32.41 1ue9 s PRO 60 CO -0.07 -0.16 1.84 0.00 0.04 0.00 0.00 177.00 178.66 1ue9 h ALA 61 N 6.37 1.00 0.00 8.56 0.00 -1.66 -2.13 119.26 131.40 1ue9 h ALA 61 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ue9 h ALA 61 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ue9 h ALA 61 CO 0.78 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.46 1ue9 n SER 62 N -2.69 0.06 -0.03 0.00 7.64 -1.26 -1.37 113.62 115.98 1ue9 n SER 62 Ca 0.02 0.52 0.01 0.00 1.01 0.00 0.00 58.87 60.42 1ue9 n SER 62 Cb 0.29 -0.53 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 1ue9 n SER 62 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ue9 n HIS 63 N -1.57 0.31 -4.02 1.43 -0.00 -0.80 -4.76 115.22 105.80 1ue9 n HIS 63 Ca 0.03 0.10 -0.26 0.00 -0.00 0.00 0.00 57.72 57.59 1ue9 n HIS 63 Cb 0.14 -0.85 -0.04 0.00 -0.00 0.00 0.00 29.99 29.24 1ue9 n HIS 63 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1ue9 s VAL 64 N -3.00 1.87 -0.05 1.59 -7.23 -0.47 0.19 120.40 113.30 1ue9 s VAL 64 Ca -0.07 -1.59 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1ue9 s VAL 64 Cb 0.10 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1ue9 s VAL 64 CO 0.85 0.00 0.11 -0.75 -0.31 0.00 0.00 175.10 175.00 1ue9 s LYS 65 N -4.11 0.02 0.25 4.82 2.20 0.93 -4.70 119.74 119.14 1ue9 s LYS 65 Ca 0.34 0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 56.02 1ue9 s LYS 65 Cb -0.00 -0.28 -0.11 0.00 -1.51 0.00 0.00 37.83 35.93 1ue9 s LYS 65 CO 0.20 -0.23 1.58 -0.51 -0.36 0.00 0.00 175.35 176.03 1ue9 s LEU 66 N 1.59 4.36 -0.05 5.43 1.43 -1.26 -0.76 118.68 129.42 1ue9 s LEU 66 Ca -0.04 2.84 0.08 0.00 -1.03 0.00 0.00 54.13 55.98 1ue9 s LEU 66 Cb -0.12 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.81 1ue9 s LEU 66 CO -0.05 -0.87 1.16 0.18 0.23 0.00 0.00 176.35 177.00 1ue9 n LEU 67 N 2.79 2.45 0.00 1.79 4.77 -1.16 -4.89 117.00 122.75 1ue9 n LEU 67 Ca 0.10 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1ue9 n LEU 67 Cb 0.38 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ue9 n LEU 67 CO 0.63 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1ue9 n GLY 68 N 0.68 0.93 3.72 -0.72 0.00 -1.26 -4.58 105.19 103.95 1ue9 n GLY 68 Ca 0.12 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1ue9 n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 69 N 0.00 4.48 0.03 1.61 0.04 -1.26 -4.84 135.00 135.06 1ue9 s PRO 69 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1ue9 s PRO 69 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1ue9 s PRO 69 CO 0.00 -0.16 0.00 -1.13 0.04 0.00 0.00 177.00 175.75 1ue9 n SER 70 N 3.55 -0.04 -4.55 6.66 3.41 -1.26 -5.05 113.62 116.34 1ue9 n SER 70 Ca 0.07 0.06 -0.46 0.00 -0.26 0.00 0.00 58.87 58.28 1ue9 n SER 70 Cb 0.47 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1ue9 n SER 70 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ue9 n SER 71 N -2.61 2.91 -4.07 4.04 3.41 -1.26 -4.93 113.62 111.11 1ue9 n SER 71 Ca 0.00 0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 1ue9 n SER 71 Cb 0.00 -1.44 -0.17 0.00 -0.26 0.00 0.00 64.21 62.34 1ue9 n SER 71 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ue9 s GLU 72 N 6.07 2.29 -0.05 4.33 2.12 -1.26 -5.12 118.70 127.08 1ue9 s GLU 72 Ca 1.03 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 55.78 1ue9 s GLU 72 Cb -0.55 -1.93 0.02 0.00 0.26 0.00 0.00 34.13 31.93 1ue9 s GLU 72 CO 0.42 -0.06 -0.06 1.03 -0.54 0.00 0.00 175.26 176.05 1ue9 s ARG 73 N 0.96 1.04 -1.06 4.30 1.81 -1.26 -5.07 118.95 119.67 1ue9 s ARG 73 Ca -0.07 -0.17 -0.22 0.00 -1.72 0.00 0.00 55.73 53.55 1ue9 s ARG 73 Cb -0.15 -1.00 0.05 0.00 -0.45 0.00 0.00 34.95 33.40 1ue9 s ARG 73 CO -0.01 -0.08 1.50 0.00 -0.68 0.00 0.00 175.30 176.03 1ue9 s ALA 74 N 0.95 2.77 -0.18 2.13 0.00 -1.26 -4.89 121.76 121.28 1ue9 s ALA 74 Ca -0.10 -2.34 -0.15 0.00 0.00 0.00 0.00 51.96 49.37 1ue9 s ALA 74 Cb -0.14 -4.55 0.05 0.00 0.00 0.00 0.00 23.12 18.48 1ue9 s ALA 74 CO 0.00 -3.61 0.48 0.45 0.00 0.00 0.00 175.76 173.08 1ue9 s SER 75 N 4.95 -0.54 0.34 0.00 0.15 -1.26 -5.14 113.70 112.20 1ue9 s SER 75 Ca 0.48 0.99 -0.21 0.00 0.70 0.00 0.00 55.95 57.90 1ue9 s SER 75 Cb 0.00 0.95 -0.15 0.00 -1.71 0.00 0.00 66.02 65.12 1ue9 s SER 75 CO -0.07 -0.18 0.16 0.61 1.20 0.00 0.00 173.24 174.96 1ue9 n GLY 76 N 3.31 -2.41 0.07 9.45 0.00 -1.26 -4.90 105.19 109.45 1ue9 n GLY 76 Ca -0.16 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1ue9 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ue9 h PRO 77 N 0.43 -0.01 -3.14 1.61 0.13 -2.01 -3.50 132.00 125.52 1ue9 h PRO 77 Ca -0.33 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.13 1ue9 h PRO 77 Cb 1.37 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.35 1ue9 h PRO 77 CO 0.46 0.72 -0.97 0.43 -0.23 0.00 0.00 178.00 178.41 1ue9 n SER 78 N -4.74 -7.65 -4.61 1.44 7.64 -1.26 -4.77 113.62 99.67 1ue9 n SER 78 Ca -0.09 1.11 -0.38 0.00 1.01 0.00 0.00 58.87 60.52 1ue9 n SER 78 Cb 0.36 -4.40 -0.10 0.00 -1.01 0.00 0.00 64.21 59.06 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ue9 s SER 79 N -7.03 6.10 0.00 6.43 0.01 -1.26 -5.30 113.70 112.65 1ue9 s SER 79 Ca 0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1ue9 s SER 79 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1ue9 s SER 79 CO 0.00 -0.07 0.29 0.61 0.41 0.00 0.00 173.24 174.48