#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 s SER 2 N 0.00 -0.25 -0.21 1.61 1.04 -1.26 -5.15 113.70 109.48 1ue9 s SER 2 Ca 0.00 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 1ue9 s SER 2 Cb 0.00 1.21 0.10 0.00 0.10 0.00 0.00 66.02 67.43 1ue9 s SER 2 CO 0.00 -0.05 0.25 -0.94 0.98 0.00 0.00 173.24 173.47 1ue9 s SER 3 N 1.70 1.24 0.00 7.02 1.04 -1.26 -5.01 113.70 118.43 1ue9 s SER 3 Ca -0.04 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1ue9 s SER 3 Cb -0.03 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ue9 s SER 3 CO -0.14 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1ue9 n GLY 4 N 5.32 -1.46 2.74 7.32 0.00 -1.26 -5.10 105.19 112.75 1ue9 n GLY 4 Ca -0.05 0.39 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 1ue9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ue9 s SER 5 N 0.18 1.81 -0.30 1.61 0.01 -1.26 -5.10 113.70 110.65 1ue9 s SER 5 Ca 0.00 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.49 1ue9 s SER 5 Cb 0.00 0.40 0.18 0.00 0.21 0.00 0.00 66.02 66.81 1ue9 s SER 5 CO 0.00 -0.38 0.75 -0.94 0.41 0.00 0.00 173.24 173.08 1ue9 s SER 6 N 2.33 -1.06 0.14 2.44 1.04 -1.26 -5.17 113.70 112.16 1ue9 s SER 6 Ca 0.09 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1ue9 s SER 6 Cb -0.14 1.94 0.00 0.00 0.10 0.00 0.00 66.02 67.91 1ue9 s SER 6 CO -0.30 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1ue9 n GLY 7 N 5.41 1.46 3.55 7.32 0.00 -1.26 -5.06 105.19 116.61 1ue9 n GLY 7 Ca -0.04 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.55 3.52 0.16 1.61 2.02 -1.26 -4.97 118.70 118.24 1ue9 s GLU 8 Ca 0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 54.97 54.74 1ue9 s GLU 8 Cb 0.00 -3.85 -0.06 0.00 0.10 0.00 0.00 34.13 30.32 1ue9 s GLU 8 CO 0.00 -0.78 0.44 0.42 0.02 0.00 0.00 175.26 175.36 1ue9 s ILE 9 N 2.59 5.08 -0.01 -1.63 -1.09 -1.26 0.55 121.20 125.43 1ue9 s ILE 9 Ca 0.21 0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 1ue9 s ILE 9 Cb -0.15 -3.63 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1ue9 s ILE 9 CO 0.15 0.04 -0.07 0.00 -1.23 0.00 0.00 174.94 173.84 1ue9 s ALA 10 N -1.67 0.58 -0.28 9.38 0.00 -0.57 -3.10 121.76 126.11 1ue9 s ALA 10 Ca 0.42 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 1ue9 s ALA 10 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1ue9 s ALA 10 CO 0.23 0.13 0.17 -1.14 0.00 0.00 0.00 175.76 175.15 1ue9 s GLN 11 N -0.09 3.89 0.22 0.00 0.74 -0.20 -2.59 119.66 121.63 1ue9 s GLN 11 Ca 0.02 -0.35 -0.32 0.00 0.05 0.00 0.00 55.36 54.76 1ue9 s GLN 11 Cb -0.03 -3.60 -0.12 0.00 1.10 0.00 0.00 33.01 30.35 1ue9 s GLN 11 CO -0.00 -0.18 1.68 0.28 -0.55 0.00 0.00 175.29 176.52 1ue9 n VAL 12 N 5.04 0.19 0.09 1.34 0.31 -1.23 -0.30 118.33 123.77 1ue9 n VAL 12 Ca -0.14 -0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.17 1ue9 n VAL 12 Cb 0.52 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 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 3.58 0.00 -3.72 2.52 -2.24 0.34 -3.95 114.28 110.81 1ue9 n THR 13 Ca 0.15 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1ue9 n THR 13 Cb 0.34 0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.41 -0.35 0.54 3.42 0.01 0.19 -4.96 113.70 110.14 1ue9 s SER 14 Ca -0.01 0.65 -0.22 0.00 1.31 0.00 0.00 55.95 57.69 1ue9 s SER 14 Cb 0.04 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.76 1ue9 s SER 14 CO 0.27 -0.18 1.32 0.00 0.41 0.00 0.00 173.24 175.07 1ue9 s ALA 15 N 1.31 2.81 0.05 1.44 0.00 -1.26 -4.67 121.76 121.44 1ue9 s ALA 15 Ca -0.09 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1ue9 s ALA 15 Cb -0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1ue9 s ALA 15 CO -0.10 -1.28 -0.05 -0.47 0.00 0.00 0.00 175.76 173.87 1ue9 s TYR 16 N -1.35 0.54 -0.44 0.00 5.04 0.17 -4.95 117.35 116.36 1ue9 s TYR 16 Ca 0.71 -0.75 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 1ue9 s TYR 16 Cb -0.38 -0.35 0.12 0.00 0.35 0.00 0.00 41.96 41.69 1ue9 s TYR 16 CO 0.45 -0.22 0.18 0.08 -1.34 0.00 0.00 175.55 174.70 1ue9 s VAL 17 N -2.55 2.26 0.08 3.14 1.01 -1.26 -2.92 120.40 120.15 1ue9 s VAL 17 Ca -0.03 -2.82 -0.35 0.00 0.00 0.00 0.00 61.98 58.78 1ue9 s VAL 17 Cb -0.02 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.61 1ue9 s VAL 17 CO -0.04 -0.74 1.60 0.00 0.00 0.00 0.00 175.10 175.92 1ue9 n ALA 18 N 3.62 0.78 0.46 5.51 0.00 -1.26 -4.89 120.51 124.72 1ue9 n ALA 18 Ca 0.05 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.73 1ue9 n ALA 18 Cb 0.36 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ue9 h SER 19 N 6.37 -0.98 0.00 0.00 0.02 -1.93 -3.47 113.55 113.56 1ue9 h SER 19 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1ue9 h SER 19 Cb 1.27 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1ue9 h SER 19 CO 0.88 -0.69 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1ue9 n GLY 20 N -1.47 1.75 3.55 -3.77 0.00 -1.26 -5.02 105.19 98.97 1ue9 n GLY 20 Ca -0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1ue9 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ue9 n SER 21 N 0.00 1.33 -4.27 1.61 7.64 -1.26 -3.17 113.62 115.49 1ue9 n SER 21 Ca 0.00 -1.88 -0.33 0.00 1.01 0.00 0.00 58.87 57.67 1ue9 n SER 21 Cb 0.00 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 61.53 1ue9 n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ue9 n GLU 22 N 8.23 -1.86 -4.15 1.43 -0.58 -1.26 -4.84 120.64 117.61 1ue9 n GLU 22 Ca 0.44 0.23 -0.28 0.00 -0.42 0.00 0.00 57.16 57.13 1ue9 n GLU 22 Cb 0.44 -4.35 -0.07 0.00 -0.57 0.00 0.00 31.44 26.89 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1ue9 s GLN 23 N -7.08 2.55 -0.09 3.49 -0.21 -1.19 0.11 119.66 117.24 1ue9 s GLN 23 Ca 0.33 -0.96 0.04 0.00 0.02 0.00 0.00 55.36 54.79 1ue9 s GLN 23 Cb -0.19 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.34 1ue9 s GLN 23 CO 0.97 0.49 -0.21 -1.17 -2.12 0.00 0.00 175.29 173.25 1ue9 s LEU 24 N -2.75 1.98 0.22 2.90 2.96 -0.62 -4.48 118.68 118.90 1ue9 s LEU 24 Ca 0.28 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 1ue9 s LEU 24 Cb -0.10 -1.27 -0.09 0.00 0.50 0.00 0.00 46.19 45.24 1ue9 s LEU 24 CO 0.19 0.13 1.11 -0.94 -1.32 0.00 0.00 176.35 175.53 1ue9 s SER 25 N 0.42 7.24 -0.05 3.68 1.04 -1.26 -4.40 113.70 120.38 1ue9 s SER 25 Ca -0.18 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.47 1ue9 s SER 25 Cb -0.17 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 1ue9 s SER 25 CO 0.08 -0.21 -0.12 -0.76 0.98 0.00 0.00 173.24 173.21 1ue9 s LEU 26 N -0.82 2.88 0.01 2.42 1.43 -1.15 -4.94 118.68 118.51 1ue9 s LEU 26 Ca 0.48 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1ue9 s LEU 26 Cb -0.31 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1ue9 s LEU 26 CO 0.38 0.34 -0.18 0.00 0.23 0.00 0.00 176.35 177.12 1ue9 s ALA 27 N -0.79 1.47 -0.33 4.21 0.00 -1.26 0.46 121.76 125.52 1ue9 s ALA 27 Ca 0.12 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1ue9 s ALA 27 Cb -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1ue9 s ALA 27 CO 0.02 0.34 1.36 -1.25 0.00 0.00 0.00 175.76 176.23 1ue9 s PRO 28 N -0.75 3.79 0.00 0.00 0.04 -1.26 -2.86 135.00 133.95 1ue9 s PRO 28 Ca 0.06 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1ue9 s PRO 28 Cb -0.07 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1ue9 s PRO 28 CO 0.00 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1ue9 n GLY 29 N 4.60 1.58 3.79 0.56 0.00 -1.25 -5.04 105.19 109.43 1ue9 n GLY 29 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 2.24 0.03 1.61 -0.21 -1.14 -5.04 119.66 117.13 1ue9 s GLN 30 Ca 0.00 -2.45 0.04 0.00 0.02 0.00 0.00 55.36 52.97 1ue9 s GLN 30 Cb 0.00 -1.53 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 1ue9 s GLN 30 CO 0.00 -0.43 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.12 1ue9 s LEU 31 N -3.92 2.14 0.02 2.90 1.43 -1.26 -3.48 118.68 116.51 1ue9 s LEU 31 Ca 0.01 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1ue9 s LEU 31 Cb -0.00 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1ue9 s LEU 31 CO 0.01 0.01 -0.04 -0.63 0.23 0.00 0.00 176.35 175.92 1ue9 s ILE 32 N -0.75 0.29 -0.29 -0.59 1.01 -1.07 0.91 121.20 120.71 1ue9 s ILE 32 Ca -0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1ue9 s ILE 32 Cb -0.07 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1ue9 s ILE 32 CO 0.01 -0.23 0.16 -0.22 0.00 0.00 0.00 174.94 174.66 1ue9 s LEU 33 N -0.91 3.97 -0.03 2.97 2.96 -0.55 -1.51 118.68 125.58 1ue9 s LEU 33 Ca -0.07 -0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 1ue9 s LEU 33 Cb -0.06 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1ue9 s LEU 33 CO -0.00 -0.12 1.43 -0.63 -1.32 0.00 0.00 176.35 175.71 1ue9 s ILE 34 N 1.67 3.77 -0.10 6.68 -1.09 0.19 -0.76 121.20 131.56 1ue9 s ILE 34 Ca 0.06 1.09 -0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1ue9 s ILE 34 Cb -0.16 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1ue9 s ILE 34 CO 0.08 -0.03 -0.10 0.18 -1.23 0.00 0.00 174.94 173.84 1ue9 n LEU 35 N 5.86 2.71 -3.95 2.97 4.77 0.15 -4.20 117.00 125.32 1ue9 n LEU 35 Ca 0.14 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1ue9 n LEU 35 Cb 0.44 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1ue9 n LEU 35 CO 0.59 0.62 -0.35 -0.75 -1.33 0.00 0.00 177.39 176.16 1ue9 s LYS 36 N -2.21 0.24 0.06 3.23 2.20 0.49 -4.98 119.74 118.78 1ue9 s LYS 36 Ca -0.14 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.08 1ue9 s LYS 36 Cb 0.04 0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 1ue9 s LYS 36 CO 0.23 -0.04 -0.16 0.15 -0.36 0.00 0.00 175.35 175.17 1ue9 s LYS 37 N -1.10 0.97 0.22 4.03 1.02 -1.26 0.13 119.74 123.75 1ue9 s LYS 37 Ca -0.12 -0.90 0.10 0.00 0.02 0.00 0.00 55.97 55.06 1ue9 s LYS 37 Cb -0.07 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1ue9 s LYS 37 CO -0.01 0.24 -0.10 1.21 -0.92 0.00 0.00 175.35 175.78 1ue9 s ASN 38 N -1.46 4.14 0.00 2.83 3.84 -0.49 -4.97 114.94 118.84 1ue9 s ASN 38 Ca 0.02 -0.69 0.26 0.00 0.21 0.00 0.00 52.86 52.65 1ue9 s ASN 38 Cb -0.09 -0.64 1.55 0.00 -0.55 0.00 0.00 41.25 41.52 1ue9 s ASN 38 CO 0.02 0.07 1.96 0.35 -2.79 0.00 0.00 177.10 176.71 1ue9 n THR 39 N -0.28 0.00 -0.08 -5.21 -2.24 -1.26 -2.94 114.28 102.26 1ue9 n THR 39 Ca -0.09 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1ue9 n THR 39 Cb 0.57 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 1ue9 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ue9 n SER 40 N -0.93 1.16 0.00 3.42 7.64 -1.26 -5.00 113.62 118.65 1ue9 n SER 40 Ca 0.19 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1ue9 n SER 40 Cb 0.09 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 41 N 1.95 1.25 3.69 0.23 0.00 -1.15 -5.06 105.19 106.09 1ue9 n GLY 41 Ca -0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.28 2.58 -0.02 1.61 0.52 -1.26 -1.97 118.94 120.11 1ue9 s TRP 42 Ca 0.00 0.51 0.05 0.00 0.02 0.00 0.00 56.10 56.68 1ue9 s TRP 42 Cb 0.00 -3.84 -0.03 0.00 -1.15 0.00 0.00 33.47 28.45 1ue9 s TRP 42 CO 0.00 -3.30 -0.16 -1.58 0.02 0.00 0.00 176.95 171.93 1ue9 s TRP 43 N 2.60 2.64 -0.59 -1.98 0.52 0.37 -1.39 118.94 121.10 1ue9 s TRP 43 Ca 0.70 -0.20 -0.08 0.00 0.02 0.00 0.00 56.10 56.53 1ue9 s TRP 43 Cb -0.36 -1.57 0.15 0.00 -1.15 0.00 0.00 33.47 30.54 1ue9 s TRP 43 CO 0.30 0.19 0.46 -1.14 0.02 0.00 0.00 176.95 176.78 1ue9 s GLN 44 N -0.92 2.73 0.50 4.98 0.74 0.36 -0.01 119.66 128.04 1ue9 s GLN 44 Ca 0.12 -2.13 0.01 0.00 0.05 0.00 0.00 55.36 53.42 1ue9 s GLN 44 Cb -0.11 -3.98 -0.00 0.00 1.10 0.00 0.00 33.01 30.02 1ue9 s GLN 44 CO 0.02 -1.21 0.04 0.41 -0.55 0.00 0.00 175.29 174.00 1ue9 n GLY 45 N 4.31 3.46 3.00 2.59 0.00 -1.09 -0.38 105.19 117.08 1ue9 n GLY 45 Ca 0.01 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.83 2.17 -0.26 1.61 2.12 0.07 -2.59 118.70 117.99 1ue9 s GLU 46 Ca 0.05 -0.51 -0.36 0.00 0.36 0.00 0.00 54.97 54.51 1ue9 s GLU 46 Cb 0.00 -2.01 -0.13 0.00 0.26 0.00 0.00 34.13 32.25 1ue9 s GLU 46 CO 0.04 -0.23 1.98 -0.11 -0.54 0.00 0.00 175.26 176.39 1ue9 n LEU 47 N 4.77 2.55 -1.81 2.70 0.00 0.39 -1.49 117.00 124.12 1ue9 n LEU 47 Ca -0.16 0.76 -0.16 0.00 0.00 0.00 0.00 56.01 56.45 1ue9 n LEU 47 Cb 0.50 -1.25 0.06 0.00 0.00 0.00 0.00 43.42 42.73 1ue9 n LEU 47 CO 0.21 -0.46 1.11 0.00 0.00 0.00 0.00 177.39 178.24 1ue9 n GLN 48 N 6.95 1.77 -4.47 1.96 1.13 0.26 -4.37 117.38 120.60 1ue9 n GLN 48 Ca 0.32 -1.59 -0.25 0.00 -1.94 0.00 0.00 57.00 53.53 1ue9 n GLN 48 Cb 0.21 -1.63 -0.13 0.00 0.11 0.00 0.00 30.24 28.81 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 s ALA 49 N -1.82 1.85 -0.25 -1.58 0.00 -1.25 -4.71 121.76 114.00 1ue9 s ALA 49 Ca 0.31 -1.19 -0.41 0.00 0.00 0.00 0.00 51.96 50.68 1ue9 s ALA 49 Cb 0.25 -0.31 -0.17 0.00 0.00 0.00 0.00 23.12 22.89 1ue9 s ALA 49 CO 0.02 0.40 1.63 -2.13 0.00 0.00 0.00 175.76 175.67 1ue9 n ARG 50 N 1.43 0.90 -3.71 0.00 3.00 -1.26 -4.88 116.66 112.14 1ue9 n ARG 50 Ca -0.18 0.33 -0.14 0.00 -0.00 0.00 0.00 57.85 57.86 1ue9 n ARG 50 Cb 0.53 -1.97 -0.09 0.00 0.00 0.00 0.00 32.46 30.94 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ue9 s GLY 51 N 2.84 -0.31 0.24 5.14 0.00 -1.26 -5.04 107.32 108.93 1ue9 s GLY 51 Ca 0.97 0.99 -0.13 0.00 0.00 0.00 0.00 44.72 46.55 1ue9 s GLY 51 CO 0.65 0.79 1.58 0.50 0.00 0.00 0.00 173.10 176.62 1ue9 h LYS 52 N 4.71 -0.02 -4.79 2.90 1.57 -2.03 -3.38 116.57 115.52 1ue9 h LYS 52 Ca -0.28 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.00 1ue9 h LYS 52 Cb 1.17 0.01 -0.32 0.00 0.08 0.00 0.00 32.23 33.17 1ue9 h LYS 52 CO 0.29 -0.02 -0.81 -1.59 -0.57 0.00 0.00 179.45 176.76 1ue9 s LYS 53 N -6.15 1.48 -0.48 3.15 -2.85 -1.26 -5.06 119.74 108.56 1ue9 s LYS 53 Ca -0.14 -0.43 -0.42 0.00 -1.00 0.00 0.00 55.97 53.97 1ue9 s LYS 53 Cb 0.22 -1.28 -0.17 0.00 -2.06 0.00 0.00 37.83 34.54 1ue9 s LYS 53 CO 0.74 0.12 2.17 0.54 0.10 0.00 0.00 175.35 179.02 1ue9 n ARG 54 N 3.44 0.23 -2.28 1.78 1.74 -1.26 -4.82 116.66 115.49 1ue9 n ARG 54 Ca -0.20 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.52 1ue9 n ARG 54 Cb 0.53 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1ue9 n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ue9 s GLN 55 N 6.15 4.38 -0.28 5.56 1.11 -1.26 -4.95 119.66 130.37 1ue9 s GLN 55 Ca 1.18 1.95 -0.13 0.00 0.01 0.00 0.00 55.36 58.38 1ue9 s GLN 55 Cb -1.35 -3.28 0.10 0.00 -1.01 0.00 0.00 33.01 27.47 1ue9 s GLN 55 CO 0.62 -0.34 0.64 0.21 0.01 0.00 0.00 175.29 176.43 1ue9 s LYS 56 N 0.93 0.61 0.00 2.91 2.36 -1.26 -0.46 119.74 124.83 1ue9 s LYS 56 Ca 0.61 1.29 -0.02 0.00 -2.55 0.00 0.00 55.97 55.30 1ue9 s LYS 56 Cb -0.34 0.45 0.01 0.00 -1.05 0.00 0.00 37.83 36.89 1ue9 s LYS 56 CO 0.31 -0.18 0.08 0.41 1.55 0.00 0.00 175.35 177.52 1ue9 n GLY 57 N 4.85 0.80 3.71 5.54 0.00 -1.07 -4.80 105.19 114.21 1ue9 n GLY 57 Ca -0.16 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.80 3.38 0.06 1.61 0.52 0.12 -2.69 118.94 118.14 1ue9 s TRP 58 Ca 0.02 0.30 -0.00 0.00 0.02 0.00 0.00 56.10 56.43 1ue9 s TRP 58 Cb -0.00 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1ue9 s TRP 58 CO 0.00 0.22 -0.04 -0.59 0.02 0.00 0.00 176.95 176.56 1ue9 s PHE 59 N 0.58 0.60 0.08 -1.98 -0.12 0.99 -1.58 117.98 116.54 1ue9 s PHE 59 Ca 0.08 -1.01 -0.30 0.00 -0.05 0.00 0.00 56.93 55.64 1ue9 s PHE 59 Cb -0.12 -0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 41.80 1ue9 s PHE 59 CO 0.00 -0.32 1.16 -1.25 -0.05 0.00 0.00 175.22 174.76 1ue9 s PRO 60 N -3.80 4.48 0.07 1.99 0.04 -1.26 0.14 135.00 136.66 1ue9 s PRO 60 Ca 0.07 1.73 0.19 0.00 0.04 0.00 0.00 61.00 63.03 1ue9 s PRO 60 Cb 0.07 -3.34 0.81 0.00 0.04 0.00 0.00 34.50 32.07 1ue9 s PRO 60 CO -0.08 -0.17 1.61 0.00 0.04 0.00 0.00 177.00 178.40 1ue9 n ALA 61 N 3.58 1.80 0.63 8.56 0.00 -0.83 -1.89 120.51 132.36 1ue9 n ALA 61 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1ue9 n ALA 61 Cb 0.47 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 19.05 1ue9 n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ue9 n SER 62 N -1.71 0.31 0.05 0.00 7.64 -1.26 -2.19 113.62 116.45 1ue9 n SER 62 Ca 0.04 0.55 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1ue9 n SER 62 Cb 0.22 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.82 0.47 -4.43 1.43 -0.00 -0.79 -4.78 115.22 105.30 1ue9 n HIS 63 Ca 0.05 0.14 -0.29 0.00 -0.00 0.00 0.00 57.72 57.62 1ue9 n HIS 63 Cb 0.28 -0.70 -0.07 0.00 -0.00 0.00 0.00 29.99 29.50 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 -3.41 1.73 -0.05 1.59 -7.23 -0.93 0.13 120.40 112.24 1ue9 s VAL 64 Ca -0.03 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1ue9 s VAL 64 Cb 0.12 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.52 1ue9 s VAL 64 CO 0.84 0.00 0.09 -0.75 -0.31 0.00 0.00 175.10 174.97 1ue9 s LYS 65 N -3.90 -0.01 0.25 4.82 2.20 0.60 -4.72 119.74 118.98 1ue9 s LYS 65 Ca 0.26 0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.92 1ue9 s LYS 65 Cb 0.04 -0.31 -0.12 0.00 -1.51 0.00 0.00 37.83 35.93 1ue9 s LYS 65 CO 0.14 -0.24 1.60 1.28 -0.36 0.00 0.00 175.35 177.78 1ue9 n LEU 66 N 4.71 4.00 -0.95 5.43 4.77 -1.26 -1.03 117.00 132.67 1ue9 n LEU 66 Ca -0.16 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.98 1ue9 n LEU 66 Cb 0.50 -1.55 0.18 0.00 -2.33 0.00 0.00 43.42 40.22 1ue9 n LEU 66 CO 0.13 0.04 0.58 0.18 -1.33 0.00 0.00 177.39 176.99 1ue9 n LEU 67 N 2.71 2.67 -3.62 2.23 4.77 -1.18 -4.89 117.00 119.71 1ue9 n LEU 67 Ca 0.11 -1.35 -0.25 0.00 -0.03 0.00 0.00 56.01 54.50 1ue9 n LEU 67 Cb 0.35 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1ue9 n LEU 67 CO 0.64 0.45 -0.24 0.61 -1.33 0.00 0.00 177.39 177.52 1ue9 n GLY 68 N 0.63 -0.98 2.67 -0.72 0.00 -1.26 -4.69 105.19 100.84 1ue9 n GLY 68 Ca 0.13 0.63 -0.35 0.00 0.00 0.00 0.00 46.02 46.42 1ue9 n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ue9 n PRO 69 N -2.08 2.50 -2.66 1.61 -0.04 -1.26 -4.23 135.00 128.84 1ue9 n PRO 69 Ca -0.26 -1.96 -0.03 0.00 -0.04 0.00 0.00 63.50 61.20 1ue9 n PRO 69 Cb 0.63 -2.82 0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1ue9 n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ue9 n SER 70 N 5.20 -1.21 -3.68 3.54 2.88 -1.26 -5.08 113.62 114.00 1ue9 n SER 70 Ca 0.56 -1.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.02 1ue9 n SER 70 Cb 0.27 0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 64.33 1ue9 n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ue9 s SER 71 N 0.64 -0.30 -0.56 -3.46 1.04 -1.26 -5.11 113.70 104.68 1ue9 s SER 71 Ca 0.24 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.38 1ue9 s SER 71 Cb 0.16 0.55 0.15 0.00 0.10 0.00 0.00 66.02 66.99 1ue9 s SER 71 CO -0.10 -0.99 0.36 -1.61 0.98 0.00 0.00 173.24 171.88 1ue9 s GLU 72 N -3.51 1.89 -0.26 4.02 0.41 -1.26 -4.93 118.70 115.06 1ue9 s GLU 72 Ca 0.09 -2.71 -0.04 0.00 -0.41 0.00 0.00 54.97 51.90 1ue9 s GLU 72 Cb -0.03 -2.91 0.01 0.00 -1.78 0.00 0.00 34.13 29.43 1ue9 s GLU 72 CO -0.01 -1.22 0.07 0.54 -0.49 0.00 0.00 175.26 174.15 1ue9 n ARG 73 N 2.73 -3.60 -1.40 1.61 1.74 -1.26 -4.65 116.66 111.83 1ue9 n ARG 73 Ca 0.14 2.85 -0.50 0.00 -0.77 0.00 0.00 57.85 59.57 1ue9 n ARG 73 Cb 0.36 -5.03 -0.11 0.00 -1.02 0.00 0.00 32.46 26.65 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ue9 n ALA 74 N 0.94 0.47 -1.41 7.54 0.00 -1.26 -4.87 120.51 121.92 1ue9 n ALA 74 Ca -0.12 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 1ue9 n ALA 74 Cb 0.18 -2.33 0.12 0.00 0.00 0.00 0.00 19.45 17.42 1ue9 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ue9 s SER 75 N 7.79 3.94 0.00 0.00 0.15 -1.26 -4.80 113.70 119.52 1ue9 s SER 75 Ca 1.21 1.33 0.00 0.00 0.70 0.00 0.00 55.95 59.19 1ue9 s SER 75 Cb -1.18 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 61.11 1ue9 s SER 75 CO 0.53 -2.32 0.00 0.61 1.20 0.00 0.00 173.24 173.26 1ue9 n GLY 76 N -1.72 -0.66 2.76 9.45 0.00 -1.26 -5.01 105.19 108.75 1ue9 n GLY 76 Ca 0.07 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1ue9 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ue9 n PRO 77 N 0.00 2.38 -0.56 1.61 -0.04 -1.26 -4.93 135.00 132.20 1ue9 n PRO 77 Ca 0.00 -2.04 -0.30 0.00 -0.04 0.00 0.00 63.50 61.12 1ue9 n PRO 77 Cb 0.00 -2.91 0.22 0.00 -0.04 0.00 0.00 33.50 30.77 1ue9 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ue9 n SER 78 N 5.73 -1.42 -0.00 3.54 2.88 -1.26 -5.00 113.62 118.09 1ue9 n SER 78 Ca 0.54 -0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 58.03 1ue9 n SER 78 Cb 0.31 -1.26 -0.01 0.00 -0.75 0.00 0.00 64.21 62.50 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ue9 n SER 79 N -4.17 1.20 0.00 -3.46 2.88 -1.26 -5.28 113.62 103.53 1ue9 n SER 79 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ue9 n SER 79 Cb 0.55 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1ue9 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42