#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 -6.52 -3.55 1.61 2.88 -1.26 -5.08 113.62 101.70 1ue9 n SER 2 Ca 0.00 1.23 -0.17 0.00 -1.33 0.00 0.00 58.87 58.60 1ue9 n SER 2 Cb 0.00 -4.71 -0.06 0.00 -0.75 0.00 0.00 64.21 58.68 1ue9 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ue9 s SER 3 N -1.32 -0.64 0.00 -3.46 1.04 -1.26 -5.15 113.70 102.91 1ue9 s SER 3 Ca -0.02 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1ue9 s SER 3 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1ue9 s SER 3 CO 0.67 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1ue9 n GLY 4 N 1.19 3.04 0.28 7.32 0.00 -1.26 -5.01 105.19 110.75 1ue9 n GLY 4 Ca -0.18 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1ue9 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ue9 h SER 5 N 0.00 -0.75 -1.53 1.61 0.02 -2.05 -3.43 113.55 107.42 1ue9 h SER 5 Ca 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1ue9 h SER 5 Cb 0.00 0.24 -0.26 0.00 0.14 0.00 0.00 62.40 62.52 1ue9 h SER 5 CO 0.00 -0.38 -0.38 -0.55 -1.14 0.00 0.00 176.83 174.38 1ue9 s SER 6 N -3.36 -0.48 0.00 3.07 0.15 -1.26 -5.13 113.70 106.69 1ue9 s SER 6 Ca -0.10 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1ue9 s SER 6 Cb 0.02 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1ue9 s SER 6 CO 0.33 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1ue9 n GLY 7 N 5.39 3.10 3.65 9.45 0.00 -1.26 -5.11 105.19 120.42 1ue9 n GLY 7 Ca -0.03 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1ue9 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ue9 n GLU 8 N -0.01 2.49 -3.83 1.61 1.02 -1.26 -4.81 120.64 115.86 1ue9 n GLU 8 Ca 0.00 0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 57.66 1ue9 n GLU 8 Cb 0.00 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.42 1ue9 n GLU 8 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ue9 s ILE 9 N 5.12 5.42 -0.04 -3.67 -1.09 -1.26 0.10 121.20 125.79 1ue9 s ILE 9 Ca 0.93 0.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.60 1ue9 s ILE 9 Cb -0.50 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1ue9 s ILE 9 CO 0.44 0.54 -0.14 0.00 -1.23 0.00 0.00 174.94 174.55 1ue9 s ALA 10 N -1.11 1.25 -0.30 9.38 0.00 -0.68 -2.34 121.76 127.96 1ue9 s ALA 10 Ca 0.19 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1ue9 s ALA 10 Cb -0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1ue9 s ALA 10 CO 0.09 0.22 0.29 -1.14 0.00 0.00 0.00 175.76 175.21 1ue9 s GLN 11 N 0.10 3.82 0.23 0.00 0.74 0.29 -2.79 119.66 122.05 1ue9 s GLN 11 Ca -0.03 -0.28 -0.31 0.00 0.05 0.00 0.00 55.36 54.78 1ue9 s GLN 11 Cb -0.10 -3.71 -0.11 0.00 1.10 0.00 0.00 33.01 30.18 1ue9 s GLN 11 CO 0.01 -0.32 1.65 0.08 -0.55 0.00 0.00 175.29 176.16 1ue9 s VAL 12 N 1.90 2.13 -0.02 1.34 1.01 -1.23 -0.58 120.40 124.95 1ue9 s VAL 12 Ca 0.10 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1ue9 s VAL 12 Cb -0.16 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 1ue9 s VAL 12 CO 0.11 0.01 0.11 0.35 0.00 0.00 0.00 175.10 175.67 1ue9 n THR 13 N 3.29 0.06 -3.76 3.92 -2.24 0.23 -3.80 114.28 111.99 1ue9 n THR 13 Ca 0.13 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 1ue9 n THR 13 Cb 0.36 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.83 0.19 0.55 3.42 0.01 -0.17 -4.91 113.70 109.96 1ue9 s SER 14 Ca -0.02 0.04 -0.21 0.00 1.31 0.00 0.00 55.95 57.07 1ue9 s SER 14 Cb 0.03 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 1ue9 s SER 14 CO 0.23 -0.14 1.30 0.00 0.41 0.00 0.00 173.24 175.04 1ue9 s ALA 15 N 1.21 2.75 0.04 1.44 0.00 -1.26 -4.67 121.76 121.27 1ue9 s ALA 15 Ca -0.07 1.22 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 1ue9 s ALA 15 Cb -0.13 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1ue9 s ALA 15 CO -0.03 -1.26 -0.04 -0.47 0.00 0.00 0.00 175.76 173.96 1ue9 s TYR 16 N -1.39 0.41 -0.27 0.00 5.04 0.98 -4.95 117.35 117.17 1ue9 s TYR 16 Ca 0.72 -0.72 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1ue9 s TYR 16 Cb -0.37 -0.29 0.08 0.00 0.35 0.00 0.00 41.96 41.73 1ue9 s TYR 16 CO 0.43 -0.24 0.00 0.08 -1.34 0.00 0.00 175.55 174.48 1ue9 s VAL 17 N -2.37 1.53 0.41 3.14 1.01 -1.26 -2.79 120.40 120.07 1ue9 s VAL 17 Ca -0.07 -1.49 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 1ue9 s VAL 17 Cb -0.03 -1.95 -0.15 0.00 0.00 0.00 0.00 36.38 34.25 1ue9 s VAL 17 CO -0.04 -0.33 0.14 0.00 0.00 0.00 0.00 175.10 174.87 1ue9 n ALA 18 N 4.63 -2.83 -2.84 5.51 0.00 -1.26 -4.93 120.51 118.78 1ue9 n ALA 18 Ca -0.06 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1ue9 n ALA 18 Cb 0.43 -1.51 0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 2.21 0.23 0.00 0.00 7.64 -1.26 -5.02 113.62 117.42 1ue9 n SER 19 Ca 0.11 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1ue9 n SER 19 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.02 2.03 0.00 0.23 0.00 -1.26 -5.04 105.19 101.16 1ue9 n GLY 20 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 3.72 -2.24 1.61 7.64 -1.26 -4.74 113.62 118.36 1ue9 n SER 21 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1ue9 n SER 21 Cb 0.00 0.04 0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1ue9 n SER 21 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ue9 n GLU 22 N -2.36 2.98 -4.38 1.43 0.28 -1.26 -4.97 120.64 112.35 1ue9 n GLU 22 Ca 0.00 -3.56 -0.31 0.00 -0.16 0.00 0.00 57.16 53.13 1ue9 n GLU 22 Cb 0.46 -2.29 -0.11 0.00 1.43 0.00 0.00 31.44 30.93 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 -3.76 2.24 -0.11 3.44 1.11 -1.26 0.19 119.66 121.51 1ue9 s GLN 23 Ca 0.61 -0.93 0.03 0.00 0.01 0.00 0.00 55.36 55.08 1ue9 s GLN 23 Cb 0.48 -2.34 -0.00 0.00 -1.01 0.00 0.00 33.01 30.14 1ue9 s GLN 23 CO 0.01 0.54 -0.22 -1.17 0.01 0.00 0.00 175.29 174.46 1ue9 s LEU 24 N -1.83 2.20 0.18 2.90 2.96 -1.17 -4.59 118.68 119.33 1ue9 s LEU 24 Ca 0.19 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 1ue9 s LEU 24 Cb -0.11 -1.45 -0.08 0.00 0.50 0.00 0.00 46.19 45.05 1ue9 s LEU 24 CO 0.10 0.16 1.23 -0.94 -1.32 0.00 0.00 176.35 175.58 1ue9 s SER 25 N 0.36 7.03 0.00 3.68 1.04 -1.26 -4.58 113.70 119.96 1ue9 s SER 25 Ca -0.17 2.27 0.02 0.00 0.48 0.00 0.00 55.95 58.54 1ue9 s SER 25 Cb -0.18 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 1ue9 s SER 25 CO 0.08 -0.42 -0.02 -0.76 0.98 0.00 0.00 173.24 173.10 1ue9 s LEU 26 N -0.10 3.41 0.01 2.42 1.43 -1.12 -4.96 118.68 119.78 1ue9 s LEU 26 Ca 0.54 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1ue9 s LEU 26 Cb -0.34 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1ue9 s LEU 26 CO 0.36 0.28 -0.13 0.00 0.23 0.00 0.00 176.35 177.10 1ue9 s ALA 27 N -1.06 1.06 -0.37 4.21 0.00 -1.26 -0.01 121.76 124.32 1ue9 s ALA 27 Ca 0.19 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1ue9 s ALA 27 Cb -0.11 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1ue9 s ALA 27 CO 0.09 0.23 1.39 -1.25 0.00 0.00 0.00 175.76 176.22 1ue9 s PRO 28 N -0.69 3.69 0.00 0.00 0.04 -1.26 -2.82 135.00 133.95 1ue9 s PRO 28 Ca 0.03 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1ue9 s PRO 28 Cb -0.06 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1ue9 s PRO 28 CO 0.00 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1ue9 n GLY 29 N 4.83 1.63 3.19 0.56 0.00 -1.25 -5.04 105.19 109.11 1ue9 n GLY 29 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1ue9 n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ue9 n GLN 30 N -0.75 0.90 -4.16 1.61 6.02 -1.13 -5.04 117.38 114.83 1ue9 n GLN 30 Ca 0.00 -3.16 -0.16 0.00 -0.01 0.00 0.00 57.00 53.67 1ue9 n GLN 30 Cb 0.00 0.74 -0.13 0.00 1.02 0.00 0.00 30.24 31.87 1ue9 n GLN 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ue9 s LEU 31 N 0.00 2.16 0.01 1.08 1.43 -1.26 -3.58 118.68 118.52 1ue9 s LEU 31 Ca 0.06 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1ue9 s LEU 31 Cb -0.00 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 1ue9 s LEU 31 CO 0.04 -0.07 -0.01 -0.63 0.23 0.00 0.00 176.35 175.92 1ue9 s ILE 32 N -0.88 0.06 -0.36 -0.59 1.01 -1.12 0.48 121.20 119.80 1ue9 s ILE 32 Ca -0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1ue9 s ILE 32 Cb -0.07 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.24 1ue9 s ILE 32 CO 0.00 -0.27 0.24 -0.22 0.00 0.00 0.00 174.94 174.69 1ue9 s LEU 33 N -0.80 4.67 0.03 2.97 0.20 0.26 -1.68 118.68 124.33 1ue9 s LEU 33 Ca -0.09 -0.67 -0.30 0.00 0.69 0.00 0.00 54.13 53.76 1ue9 s LEU 33 Cb -0.05 -2.11 -0.07 0.00 -0.43 0.00 0.00 46.19 43.52 1ue9 s LEU 33 CO -0.00 -0.32 1.67 -0.63 -0.29 0.00 0.00 176.35 176.78 1ue9 s ILE 34 N 1.67 3.21 -0.08 6.68 -1.09 0.29 -0.88 121.20 130.99 1ue9 s ILE 34 Ca 0.05 0.53 -0.09 0.00 -2.23 0.00 0.00 60.65 58.91 1ue9 s ILE 34 Cb -0.18 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1ue9 s ILE 34 CO 0.09 -0.02 -0.19 0.18 -1.23 0.00 0.00 174.94 173.77 1ue9 n LEU 35 N 6.18 1.39 -4.26 2.97 4.77 0.13 -4.16 117.00 124.01 1ue9 n LEU 35 Ca 0.16 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 56.10 1ue9 n LEU 35 Cb 0.41 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1ue9 n LEU 35 CO 0.63 -0.23 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.18 1ue9 s LYS 36 N -2.41 1.50 0.36 3.23 2.47 0.47 -4.98 119.74 120.37 1ue9 s LYS 36 Ca -0.17 -0.92 0.05 0.00 -1.56 0.00 0.00 55.97 53.37 1ue9 s LYS 36 Cb 0.04 -1.58 -0.07 0.00 -1.46 0.00 0.00 37.83 34.76 1ue9 s LYS 36 CO 0.24 0.41 0.04 0.15 0.16 0.00 0.00 175.35 176.35 1ue9 s LYS 37 N -1.04 1.76 0.11 4.03 1.02 -1.26 0.17 119.74 124.52 1ue9 s LYS 37 Ca 0.08 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.09 1ue9 s LYS 37 Cb -0.09 -1.14 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 1ue9 s LYS 37 CO 0.01 -0.14 0.14 0.27 -0.92 0.00 0.00 175.35 174.71 1ue9 n ASN 38 N -0.79 -0.38 -1.83 2.83 0.23 -1.26 -4.92 115.26 109.14 1ue9 n ASN 38 Ca -0.03 -1.63 -0.21 0.00 -0.53 0.00 0.00 54.58 52.18 1ue9 n ASN 38 Cb 0.67 0.74 0.09 0.00 -2.08 0.00 0.00 39.78 39.20 1ue9 n ASN 38 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1ue9 n THR 39 N -0.19 2.83 0.00 5.53 -2.24 -1.26 -4.50 114.28 114.44 1ue9 n THR 39 Ca 0.01 -3.41 0.00 0.00 -2.27 0.00 0.00 64.05 58.38 1ue9 n THR 39 Cb 0.19 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1ue9 n THR 39 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ue9 n SER 40 N -0.90 1.62 0.00 3.42 2.88 -1.26 -5.04 113.62 114.34 1ue9 n SER 40 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ue9 n SER 40 Cb 0.92 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 41 N 2.37 0.55 3.49 0.46 0.00 -1.26 -5.00 105.19 105.79 1ue9 n GLY 41 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.55 2.66 0.02 1.61 0.52 -1.26 0.19 118.94 122.13 1ue9 s TRP 42 Ca 0.00 -0.65 -0.15 0.00 0.02 0.00 0.00 56.10 55.31 1ue9 s TRP 42 Cb 0.00 -4.41 -0.06 0.00 -1.15 0.00 0.00 33.47 27.85 1ue9 s TRP 42 CO 0.00 -1.74 0.44 -1.58 0.02 0.00 0.00 176.95 174.09 1ue9 s TRP 43 N 4.25 3.73 -0.42 -1.98 0.51 0.42 -4.07 118.94 121.38 1ue9 s TRP 43 Ca 0.30 1.04 -0.07 0.00 -2.12 0.00 0.00 56.10 55.24 1ue9 s TRP 43 Cb -0.10 -2.32 0.10 0.00 -0.81 0.00 0.00 33.47 30.33 1ue9 s TRP 43 CO 0.05 0.62 0.25 -1.14 -0.51 0.00 0.00 176.95 176.22 1ue9 s GLN 44 N -1.17 2.40 0.17 4.98 0.74 0.45 -0.30 119.66 126.93 1ue9 s GLN 44 Ca 0.26 -1.63 0.03 0.00 0.05 0.00 0.00 55.36 54.07 1ue9 s GLN 44 Cb -0.17 -3.74 -0.01 0.00 1.10 0.00 0.00 33.01 30.19 1ue9 s GLN 44 CO 0.15 -1.03 0.12 0.41 -0.55 0.00 0.00 175.29 174.39 1ue9 n GLY 45 N 4.81 3.53 3.45 2.59 0.00 -1.16 0.18 105.19 118.59 1ue9 n GLY 45 Ca -0.08 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.68 1.63 -0.41 1.61 -6.30 -0.06 -2.41 118.70 110.08 1ue9 s GLU 46 Ca 0.17 -1.37 -0.28 0.00 -2.50 0.00 0.00 54.97 51.00 1ue9 s GLU 46 Cb 0.01 -1.96 0.02 0.00 0.00 0.00 0.00 34.13 32.20 1ue9 s GLU 46 CO 0.12 0.43 1.03 -1.17 0.02 0.00 0.00 175.26 175.70 1ue9 s LEU 47 N -2.45 3.86 -0.19 2.70 0.20 0.55 0.91 118.68 124.26 1ue9 s LEU 47 Ca 0.19 0.59 0.04 0.00 0.69 0.00 0.00 54.13 55.64 1ue9 s LEU 47 Cb -0.09 -3.41 0.38 0.00 -0.43 0.00 0.00 46.19 42.64 1ue9 s LEU 47 CO 0.10 -1.02 1.34 0.00 -0.29 0.00 0.00 176.35 176.48 1ue9 n GLN 48 N 7.20 2.26 -2.92 1.98 1.13 0.18 -4.38 117.38 122.82 1ue9 n GLN 48 Ca 0.10 -1.60 -0.31 0.00 -1.94 0.00 0.00 57.00 53.25 1ue9 n GLN 48 Cb 0.48 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.06 4.97 -0.80 -1.58 0.00 -1.21 -4.72 120.51 117.12 1ue9 n ALA 49 Ca 0.24 -4.70 0.11 0.00 0.00 0.00 0.00 53.44 49.09 1ue9 n ALA 49 Cb 0.95 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.02 -1.61 0.00 0.00 1.74 -1.26 -5.01 116.66 110.49 1ue9 n ARG 50 Ca 0.34 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 58.49 1ue9 n ARG 50 Cb 0.36 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ue9 n GLY 51 N -2.57 2.88 0.37 -0.13 0.00 -1.26 -4.85 105.19 99.62 1ue9 n GLY 51 Ca 0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 1ue9 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ue9 h LYS 52 N 0.00 -0.07 -5.38 1.61 1.57 -2.01 -3.28 116.57 109.02 1ue9 h LYS 52 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.13 1ue9 h LYS 52 Cb 0.00 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.17 1ue9 h LYS 52 CO 0.00 -0.04 0.16 -1.59 -0.57 0.00 0.00 179.45 177.40 1ue9 s LYS 53 N -5.98 3.26 -0.27 3.15 -2.85 -1.26 -4.98 119.74 110.81 1ue9 s LYS 53 Ca -0.14 -0.45 -0.41 0.00 -1.00 0.00 0.00 55.97 53.97 1ue9 s LYS 53 Cb 0.19 -3.99 -0.18 0.00 -2.06 0.00 0.00 37.83 31.79 1ue9 s LYS 53 CO 0.71 -1.09 1.27 2.89 0.10 0.00 0.00 175.35 179.23 1ue9 n ARG 54 N 6.36 0.00 -3.17 1.78 -4.01 -1.24 -4.84 116.66 111.54 1ue9 n ARG 54 Ca -0.02 0.00 -0.45 0.00 -1.04 0.00 0.00 57.85 56.33 1ue9 n ARG 54 Cb 0.47 -1.39 -0.03 0.00 -3.04 0.00 0.00 32.46 28.47 1ue9 n ARG 54 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1ue9 s GLN 55 N 1.62 3.35 -0.06 2.89 -0.21 -1.26 -5.00 119.66 120.99 1ue9 s GLN 55 Ca 0.92 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1ue9 s GLN 55 Cb -1.30 -4.46 0.02 0.00 1.00 0.00 0.00 33.01 28.28 1ue9 s GLN 55 CO 0.66 -1.48 -0.03 0.21 -2.12 0.00 0.00 175.29 172.53 1ue9 s LYS 56 N 1.67 0.82 0.18 2.91 2.47 -1.26 0.20 119.74 126.73 1ue9 s LYS 56 Ca 0.17 -0.06 -0.20 0.00 -1.56 0.00 0.00 55.97 54.32 1ue9 s LYS 56 Cb -0.16 -0.93 0.07 0.00 -1.46 0.00 0.00 37.83 35.35 1ue9 s LYS 56 CO -0.03 -0.15 0.94 0.41 0.16 0.00 0.00 175.35 176.68 1ue9 n GLY 57 N 4.40 0.67 3.60 5.54 0.00 -1.01 -4.80 105.19 113.59 1ue9 n GLY 57 Ca -0.19 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.42 3.23 0.17 1.61 0.52 0.51 -2.98 118.94 119.58 1ue9 s TRP 58 Ca 0.21 0.49 0.05 0.00 0.02 0.00 0.00 56.10 56.87 1ue9 s TRP 58 Cb -0.03 -2.84 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 1ue9 s TRP 58 CO 0.05 -0.40 -0.11 -0.59 0.02 0.00 0.00 176.95 175.92 1ue9 s PHE 59 N 2.40 1.40 0.06 -1.98 -0.12 0.59 -3.05 117.98 117.28 1ue9 s PHE 59 Ca 0.21 -0.71 -0.30 0.00 -0.05 0.00 0.00 56.93 56.08 1ue9 s PHE 59 Cb -0.15 -0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 41.49 1ue9 s PHE 59 CO 0.11 0.16 1.16 -1.25 -0.05 0.00 0.00 175.22 175.35 1ue9 s PRO 60 N -3.72 4.46 0.35 1.99 0.04 -1.25 0.16 135.00 137.02 1ue9 s PRO 60 Ca 0.19 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.21 1ue9 s PRO 60 Cb 0.02 -3.36 1.06 0.00 0.04 0.00 0.00 34.50 32.26 1ue9 s PRO 60 CO 0.02 -0.21 1.80 0.00 0.04 0.00 0.00 177.00 178.65 1ue9 h ALA 61 N 6.72 1.00 0.00 8.56 0.00 0.17 -2.13 119.26 133.59 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 0.80 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.48 1ue9 n SER 62 N -2.52 0.00 0.01 0.00 7.64 -1.26 -1.24 113.62 116.25 1ue9 n SER 62 Ca 0.02 0.36 0.11 0.00 1.01 0.00 0.00 58.87 60.37 1ue9 n SER 62 Cb 0.28 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.43 0.11 -4.55 1.43 -0.00 -0.80 -4.78 115.22 105.19 1ue9 n HIS 63 Ca 0.05 0.03 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1ue9 n HIS 63 Cb 0.15 -0.35 -0.10 0.00 -0.00 0.00 0.00 29.99 29.69 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 -3.28 1.18 -0.02 1.59 -7.23 -0.37 0.76 120.40 113.03 1ue9 s VAL 64 Ca -0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1ue9 s VAL 64 Cb 0.15 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1ue9 s VAL 64 CO 0.87 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 174.04 1ue9 s LYS 65 N -3.81 0.44 0.21 4.82 -2.85 0.26 -4.78 119.74 114.02 1ue9 s LYS 65 Ca 0.28 -0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.89 1ue9 s LYS 65 Cb 0.06 -0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 35.24 1ue9 s LYS 65 CO 0.13 -0.03 1.37 -0.51 0.10 0.00 0.00 175.35 176.41 1ue9 s LEU 66 N 0.54 4.40 -0.02 2.77 1.43 -1.26 -0.55 118.68 126.00 1ue9 s LEU 66 Ca -0.06 2.50 0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1ue9 s LEU 66 Cb -0.09 -3.61 0.25 0.00 0.03 0.00 0.00 46.19 42.77 1ue9 s LEU 66 CO -0.01 -0.60 1.15 0.18 0.23 0.00 0.00 176.35 177.30 1ue9 n LEU 67 N 2.62 1.70 -3.77 1.79 4.77 -0.99 -4.42 117.00 118.72 1ue9 n LEU 67 Ca 0.07 -0.86 -0.28 0.00 -0.03 0.00 0.00 56.01 54.91 1ue9 n LEU 67 Cb 0.42 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1ue9 n LEU 67 CO 0.59 0.37 -0.12 -0.83 -1.33 0.00 0.00 177.39 176.07 1ue9 s GLY 68 N -0.85 2.44 0.11 -0.72 0.00 -1.26 -4.91 107.32 102.12 1ue9 s GLY 68 Ca 0.18 -3.43 -0.09 0.00 0.00 0.00 0.00 44.72 41.39 1ue9 s GLY 68 CO 0.11 1.36 1.29 -0.56 0.00 0.00 0.00 173.10 175.30 1ue9 h PRO 69 N 5.54 0.59 -0.31 2.90 0.13 -2.02 -3.43 132.00 135.40 1ue9 h PRO 69 Ca 0.16 -0.57 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1ue9 h PRO 69 Cb 0.80 0.15 -0.17 0.00 0.13 0.00 0.00 31.00 31.91 1ue9 h PRO 69 CO 0.62 1.19 -0.16 -1.12 -0.23 0.00 0.00 178.00 178.30 1ue9 s SER 70 N -7.14 -0.46 -0.12 1.44 0.01 -1.26 -5.14 113.70 101.03 1ue9 s SER 70 Ca -0.08 -0.36 -0.26 0.00 1.31 0.00 0.00 55.95 56.56 1ue9 s SER 70 Cb 0.08 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.89 1ue9 s SER 70 CO 0.89 -0.04 0.85 -0.55 0.41 0.00 0.00 173.24 174.80 1ue9 s SER 71 N 1.53 7.05 -0.41 2.44 0.15 -1.26 -5.01 113.70 118.19 1ue9 s SER 71 Ca 0.19 1.28 0.02 0.00 0.70 0.00 0.00 55.95 58.13 1ue9 s SER 71 Cb 0.06 -2.47 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 1ue9 s SER 71 CO -0.12 -0.34 0.20 -1.61 1.20 0.00 0.00 173.24 172.57 1ue9 s GLU 72 N 1.75 1.19 -0.32 5.44 2.02 -1.26 -4.94 118.70 122.58 1ue9 s GLU 72 Ca 0.41 -1.83 -0.04 0.00 0.02 0.00 0.00 54.97 53.54 1ue9 s GLU 72 Cb -0.17 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1ue9 s GLU 72 CO 0.16 -1.12 0.13 0.54 0.02 0.00 0.00 175.26 174.99 1ue9 n ARG 73 N 3.82 -3.14 -1.96 1.61 1.74 -1.26 -4.77 116.66 112.70 1ue9 n ARG 73 Ca 0.06 2.57 -0.33 0.00 -0.77 0.00 0.00 57.85 59.38 1ue9 n ARG 73 Cb 0.36 -5.22 -0.04 0.00 -1.02 0.00 0.00 32.46 26.54 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ue9 s ALA 74 N -1.80 1.87 0.00 7.54 0.00 -1.26 -4.18 121.76 123.93 1ue9 s ALA 74 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ue9 s ALA 74 Cb -0.01 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1ue9 s ALA 74 CO 0.75 -4.36 0.00 0.43 0.00 0.00 0.00 175.76 172.58 1ue9 n SER 75 N 13.84 -6.48 0.00 0.00 7.64 -1.26 -4.96 113.62 122.40 1ue9 n SER 75 Ca 0.30 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1ue9 n SER 75 Cb 0.50 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1ue9 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 76 N 1.30 1.04 3.73 0.23 0.00 -1.26 -4.86 105.19 105.37 1ue9 n GLY 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ue9 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 77 N -0.10 4.56 0.01 1.61 0.04 -1.26 -4.65 135.00 135.19 1ue9 s PRO 77 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ue9 s PRO 77 Cb 0.00 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ue9 s PRO 77 CO 0.00 0.00 0.00 0.43 0.04 0.00 0.00 177.00 177.47 1ue9 n SER 78 N 2.63 -0.05 -4.58 6.66 7.64 -1.26 -5.04 113.62 119.62 1ue9 n SER 78 Ca 0.04 0.43 -0.24 0.00 1.01 0.00 0.00 58.87 60.11 1ue9 n SER 78 Cb 0.46 0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 64.05 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ue9 s SER 79 N -1.86 4.57 0.00 6.43 0.15 -1.26 -5.30 113.70 116.43 1ue9 s SER 79 Ca 0.00 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.32 1ue9 s SER 79 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ue9 s SER 79 CO 0.00 -3.53 0.00 0.61 1.20 0.00 0.00 173.24 171.52