#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk5 s SER 2 N 0.00 -0.79 -0.24 1.61 1.04 -1.26 -5.15 113.70 108.91 1uk5 s SER 2 Ca 0.00 1.18 -0.31 0.00 0.48 0.00 0.00 55.95 57.30 1uk5 s SER 2 Cb 0.00 1.57 0.16 0.00 0.10 0.00 0.00 66.02 67.86 1uk5 s SER 2 CO 0.00 -0.18 1.26 -0.44 0.98 0.00 0.00 173.24 174.86 1uk5 s SER 3 N 1.96 -0.12 0.43 7.02 0.01 -1.26 -5.18 113.70 116.55 1uk5 s SER 3 Ca -0.08 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.35 1uk5 s SER 3 Cb -0.06 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.35 1uk5 s SER 3 CO -0.18 -0.14 0.58 0.61 0.41 0.00 0.00 173.24 174.53 1uk5 n GLY 4 N 0.37 1.99 3.61 3.44 0.00 -1.26 -4.87 105.19 108.47 1uk5 n GLY 4 Ca -0.01 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 1uk5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uk5 s SER 5 N -3.66 -0.06 -0.05 1.61 0.15 -1.26 -5.13 113.70 105.30 1uk5 s SER 5 Ca 0.44 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.87 1uk5 s SER 5 Cb -0.04 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1uk5 s SER 5 CO 0.28 -0.15 0.41 -0.55 1.20 0.00 0.00 173.24 174.43 1uk5 s SER 6 N -2.50 -0.34 0.00 5.45 0.15 -1.26 -5.02 113.70 110.18 1uk5 s SER 6 Ca 0.12 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1uk5 s SER 6 Cb 0.02 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1uk5 s SER 6 CO -0.04 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1uk5 n GLY 7 N 1.52 4.82 2.91 9.45 0.00 -1.26 -5.14 105.19 117.48 1uk5 n GLY 7 Ca -0.19 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1uk5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uk5 s ALA 8 N -2.00 2.09 0.96 4.61 0.00 -1.26 -5.12 121.76 121.04 1uk5 s ALA 8 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 50.08 1uk5 s ALA 8 Cb 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 23.12 21.67 1uk5 s ALA 8 CO 0.00 -1.44 1.16 -1.25 0.00 0.00 0.00 175.76 174.23 1uk5 s PRO 9 N 1.32 0.74 0.02 0.00 0.04 -1.26 -5.08 135.00 130.78 1uk5 s PRO 9 Ca 0.02 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.92 1uk5 s PRO 9 Cb -0.18 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1uk5 s PRO 9 CO -0.11 -2.44 1.22 0.00 0.04 0.00 0.00 177.00 175.71 1uk5 s ALA 10 N -3.33 -2.14 -0.15 8.56 0.00 -1.26 -5.09 121.76 118.35 1uk5 s ALA 10 Ca 0.66 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 1uk5 s ALA 10 Cb -0.12 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1uk5 s ALA 10 CO 0.54 -1.07 0.04 0.39 0.00 0.00 0.00 175.76 175.66 1uk5 n GLU 11 N -0.56 -2.33 -2.50 0.00 4.71 -1.26 -4.89 120.64 113.81 1uk5 n GLU 11 Ca -0.06 2.04 -0.41 0.00 -0.01 0.00 0.00 57.16 58.72 1uk5 n GLU 11 Cb 0.62 -3.32 -0.04 0.00 -1.01 0.00 0.00 31.44 27.68 1uk5 n GLU 11 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1uk5 s PRO 12 N -1.09 4.61 0.00 3.49 0.04 -1.26 -4.87 135.00 135.93 1uk5 s PRO 12 Ca -0.04 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1uk5 s PRO 12 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1uk5 s PRO 12 CO 0.43 0.13 0.00 0.00 0.04 0.00 0.00 177.00 177.60 1uk5 n ALA 13 N 1.91 0.00 0.00 8.56 0.00 -1.26 -5.12 120.51 124.61 1uk5 n ALA 13 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1uk5 n ALA 13 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1uk5 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uk5 n ALA 14 N -0.02 0.00 -0.88 0.00 0.00 -1.26 -4.93 120.51 113.41 1uk5 n ALA 14 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1uk5 n ALA 14 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1uk5 n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uk5 n PRO 15 N 0.00 2.22 -3.23 0.00 -0.04 -1.26 -4.70 135.00 127.99 1uk5 n PRO 15 Ca 0.00 -1.32 -0.06 0.00 -0.04 0.00 0.00 63.50 62.07 1uk5 n PRO 15 Cb 0.00 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1uk5 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1uk5 n LYS 16 N 3.36 -0.61 -4.14 0.54 5.02 -1.26 -4.98 118.16 116.08 1uk5 n LYS 16 Ca 0.47 0.92 -0.20 0.00 -2.02 0.00 0.00 58.31 57.49 1uk5 n LYS 16 Cb 0.40 -1.27 -0.16 0.00 -0.02 0.00 0.00 35.03 33.98 1uk5 n LYS 16 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1uk5 s SER 17 N -1.09 0.88 0.00 4.39 1.04 -1.26 -4.98 113.70 112.67 1uk5 s SER 17 Ca 0.06 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1uk5 s SER 17 Cb -0.01 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1uk5 s SER 17 CO 0.16 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1uk5 n GLY 18 N 4.03 -2.40 3.56 7.32 0.00 -1.26 -5.06 105.19 111.39 1uk5 n GLY 18 Ca -0.25 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 1uk5 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uk5 s GLU 19 N -0.29 1.81 -0.25 1.61 2.02 -1.26 -4.77 118.70 117.57 1uk5 s GLU 19 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 1uk5 s GLU 19 Cb 0.00 -4.89 0.16 0.00 0.10 0.00 0.00 34.13 29.50 1uk5 s GLU 19 CO 0.00 -4.30 1.19 0.00 0.02 0.00 0.00 175.26 172.18 1uk5 s ALA 20 N 13.80 -2.05 1.00 5.21 0.00 -1.26 -5.16 121.76 133.31 1uk5 s ALA 20 Ca 0.85 1.75 -0.20 0.00 0.00 0.00 0.00 51.96 54.36 1uk5 s ALA 20 Cb -0.10 -1.30 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 1uk5 s ALA 20 CO 0.07 -0.23 -0.88 0.39 0.00 0.00 0.00 175.76 175.11 1uk5 n GLU 21 N 1.15 -0.13 -3.80 0.00 1.02 -1.26 -4.95 120.64 112.67 1uk5 n GLU 21 Ca -0.08 -0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 1uk5 n GLU 21 Cb 0.58 -1.13 -0.14 0.00 -0.02 0.00 0.00 31.44 30.73 1uk5 n GLU 21 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1uk5 s THR 22 N -2.05 1.78 0.97 2.62 2.01 -1.26 -5.11 115.64 114.60 1uk5 s THR 22 Ca 0.41 -2.73 -0.14 0.00 0.31 0.00 0.00 61.69 59.54 1uk5 s THR 22 Cb -0.09 -2.25 0.17 0.00 0.01 0.00 0.00 72.50 70.34 1uk5 s THR 22 CO 0.75 -0.84 1.17 -2.16 -0.69 0.00 0.00 174.62 172.85 1uk5 s PRO 23 N 0.24 0.64 -0.08 4.92 0.04 -1.26 -4.98 135.00 134.52 1uk5 s PRO 23 Ca 0.17 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.01 1uk5 s PRO 23 Cb -0.24 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1uk5 s PRO 23 CO -0.01 -2.50 1.24 -1.25 0.04 0.00 0.00 177.00 174.52 1uk5 s PRO 24 N -5.42 4.31 0.00 0.56 0.04 -1.26 -4.92 135.00 128.31 1uk5 s PRO 24 Ca 0.67 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1uk5 s PRO 24 Cb -0.12 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1uk5 s PRO 24 CO 0.54 -0.53 0.00 0.36 0.04 0.00 0.00 177.00 177.41 1uk5 n LYS 25 N 5.60 0.00 -3.90 4.56 2.85 -1.26 -5.14 118.16 120.86 1uk5 n LYS 25 Ca 0.12 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 1uk5 n LYS 25 Cb 0.46 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.76 1uk5 n LYS 25 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1uk5 s HIS 26 N 3.35 3.48 0.10 5.58 5.65 -1.26 -5.00 115.29 127.19 1uk5 s HIS 26 Ca 0.00 0.41 -0.11 0.00 0.25 0.00 0.00 55.06 55.61 1uk5 s HIS 26 Cb 0.00 -1.99 -0.16 0.00 -1.18 0.00 0.00 32.58 29.25 1uk5 s HIS 26 CO 0.00 0.56 1.26 -1.00 -0.65 0.00 0.00 174.74 174.91 1uk5 h PRO 27 N 5.55 0.65 -0.20 2.88 0.13 -2.00 -2.55 132.00 136.46 1uk5 h PRO 27 Ca -0.50 -0.64 0.06 0.00 -0.87 0.00 0.00 66.00 64.05 1uk5 h PRO 27 Cb 1.20 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1uk5 h PRO 27 CO 0.63 1.24 0.22 0.78 -0.23 0.00 0.00 178.00 180.64 1uk5 h GLY 28 N 0.68 0.00 0.00 1.56 0.00 -1.98 -1.05 103.07 102.27 1uk5 h GLY 28 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1uk5 h GLY 28 CO 0.18 0.00 -0.55 -2.08 0.00 0.00 0.00 176.54 174.09 1uk5 h VAL 29 N 0.00 0.68 -1.27 4.60 2.07 -1.87 -3.34 116.25 117.12 1uk5 h VAL 29 Ca 0.09 -1.67 0.39 0.00 0.82 0.00 0.00 66.70 66.34 1uk5 h VAL 29 Cb 0.54 1.44 -0.11 0.00 -1.52 0.00 0.00 31.29 31.64 1uk5 h VAL 29 CO -0.00 0.23 0.83 -0.07 0.02 0.00 0.00 177.57 178.58 1uk5 h LEU 30 N -1.00 0.27 -1.39 2.57 3.38 -0.99 1.89 115.31 120.04 1uk5 h LEU 30 Ca -0.11 0.11 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1uk5 h LEU 30 Cb 0.77 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1uk5 h LEU 30 CO -0.07 -0.10 0.63 0.50 0.09 0.00 0.00 178.44 179.49 1uk5 h LYS 31 N 0.15 0.44 0.05 1.13 3.64 -1.33 1.45 116.57 122.11 1uk5 h LYS 31 Ca 0.75 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.90 1uk5 h LYS 31 Cb 2.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 34.04 1uk5 h LYS 31 CO -0.35 0.29 -1.11 -0.39 -2.27 0.00 0.00 179.45 175.63 1uk5 h VAL 32 N 0.45 1.13 -0.71 2.00 -1.51 0.27 -3.32 116.25 114.56 1uk5 h VAL 32 Ca 0.53 -2.31 0.13 0.00 -1.23 0.00 0.00 66.70 63.82 1uk5 h VAL 32 Cb 1.26 2.67 -0.05 0.00 -2.13 0.00 0.00 31.29 33.04 1uk5 h VAL 32 CO -0.24 0.56 0.48 -0.33 -1.23 0.00 0.00 177.57 176.80 1uk5 h GLU 33 N -0.67 0.43 -0.53 5.19 5.08 0.02 0.48 114.58 124.59 1uk5 h GLU 33 Ca -0.26 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1uk5 h GLU 33 Cb 1.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1uk5 h GLU 33 CO -0.04 0.28 0.27 0.00 -1.00 0.00 0.00 179.01 178.51 1uk5 h ALA 34 N 1.66 1.47 0.09 3.43 0.00 0.18 -0.12 119.26 125.97 1uk5 h ALA 34 Ca 0.34 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1uk5 h ALA 34 Cb 0.72 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1uk5 h ALA 34 CO -0.11 0.43 -0.64 0.82 0.00 0.00 0.00 179.25 179.75 1uk5 h ILE 35 N 0.74 1.53 -0.60 0.00 2.04 -0.56 -3.33 117.51 117.33 1uk5 h ILE 35 Ca 0.19 -2.45 0.12 0.00 1.00 0.00 0.00 64.86 63.72 1uk5 h ILE 35 Cb 0.06 3.17 -0.11 0.00 -0.74 0.00 0.00 36.82 39.20 1uk5 h ILE 35 CO -0.03 0.66 -0.13 -0.07 0.00 0.00 0.00 178.15 178.58 1uk5 h LEU 36 N -0.59 -0.53 -1.32 1.44 3.38 0.05 0.66 115.31 118.40 1uk5 h LEU 36 Ca -0.12 0.18 0.30 0.00 0.09 0.00 0.00 57.88 58.32 1uk5 h LEU 36 Cb 1.44 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 42.44 1uk5 h LEU 36 CO 0.08 -0.19 0.69 -0.33 0.09 0.00 0.00 178.44 178.78 1uk5 h GLU 37 N 0.01 0.34 -0.02 1.13 4.39 -1.13 0.41 114.58 119.71 1uk5 h GLU 37 Ca 0.29 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 1uk5 h GLU 37 Cb 0.45 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1uk5 h GLU 37 CO -0.61 0.22 -0.52 0.87 -1.16 0.00 0.00 179.01 177.82 1uk5 h LYS 38 N 0.35 0.39 -0.45 2.33 1.57 0.10 -3.31 116.57 117.55 1uk5 h LYS 38 Ca 0.65 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1uk5 h LYS 38 Cb 1.69 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 34.02 1uk5 h LYS 38 CO -0.35 1.06 -0.48 0.28 -0.57 0.00 0.00 179.45 179.38 1uk5 h VAL 39 N -0.13 0.00 -0.88 0.50 2.07 0.20 0.18 116.25 118.19 1uk5 h VAL 39 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.65 1uk5 h VAL 39 Cb 1.22 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.82 1uk5 h VAL 39 CO 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.51 1uk5 n GLN 40 N -4.94 -0.08 -0.22 1.57 1.13 -0.59 0.20 117.38 114.44 1uk5 n GLN 40 Ca -0.02 1.36 0.03 0.00 -1.94 0.00 0.00 57.00 56.42 1uk5 n GLN 40 Cb 0.27 -2.05 0.14 0.00 0.11 0.00 0.00 30.24 28.72 1uk5 n GLN 40 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1uk5 h GLY 41 N 0.00 0.94 0.87 1.08 0.00 -0.74 0.80 103.07 106.01 1uk5 h GLY 41 Ca 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1uk5 h GLY 41 CO -0.89 -0.09 -0.25 1.41 0.00 0.00 0.00 176.54 176.72 1uk5 h LEU 42 N 0.36 -0.58 -1.71 3.11 3.38 0.26 -2.49 115.31 117.65 1uk5 h LEU 42 Ca 0.36 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.42 1uk5 h LEU 42 Cb 0.52 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1uk5 h LEU 42 CO -0.39 -0.31 0.44 -0.08 0.09 0.00 0.00 178.44 178.18 1uk5 h GLU 43 N -0.83 0.30 0.00 1.13 4.22 -0.36 0.44 114.58 119.47 1uk5 h GLU 43 Ca -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1uk5 h GLU 43 Cb 0.59 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1uk5 h GLU 43 CO 0.12 0.20 -0.14 1.96 -2.18 0.00 0.00 179.01 178.97 1uk5 h GLN 44 N 0.31 0.00 0.20 1.92 4.20 0.10 0.57 115.11 122.41 1uk5 h GLN 44 Ca 0.31 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.69 1uk5 h GLN 44 Cb 0.79 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.59 1uk5 h GLN 44 CO -0.08 0.14 -1.59 0.00 -0.67 0.00 0.00 178.83 176.63 1uk5 h ALA 45 N 1.86 0.03 0.11 3.87 0.00 0.22 -3.05 119.26 122.30 1uk5 h ALA 45 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 1uk5 h ALA 45 Cb 0.27 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1uk5 h ALA 45 CO 0.02 0.86 -0.05 -0.39 0.00 0.00 0.00 179.25 179.68 1uk5 h VAL 46 N 0.06 1.04 -0.09 0.00 -1.51 -0.65 1.65 116.25 116.75 1uk5 h VAL 46 Ca -0.30 -0.62 0.03 0.00 -1.23 0.00 0.00 66.70 64.57 1uk5 h VAL 46 Cb 2.07 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1uk5 h VAL 46 CO 0.20 0.15 0.17 -0.78 -1.23 0.00 0.00 177.57 176.08 1uk5 h ASP 47 N -0.44 0.00 -0.18 4.19 3.58 -0.02 0.85 116.42 124.40 1uk5 h ASP 47 Ca -0.02 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1uk5 h ASP 47 Cb 0.36 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.22 1uk5 h ASP 47 CO 0.03 0.00 -0.71 -0.24 -2.88 0.00 0.00 179.24 175.44 1uk5 n SER 48 N -3.42 2.20 -5.00 2.28 2.88 -0.84 -5.06 113.62 106.66 1uk5 n SER 48 Ca -0.01 -3.38 -0.18 0.00 -1.33 0.00 0.00 58.87 53.97 1uk5 n SER 48 Cb 0.26 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1uk5 n SER 48 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1uk5 s PHE 49 N -2.73 2.91 -0.16 0.66 5.36 0.56 -4.88 117.98 119.69 1uk5 s PHE 49 Ca 0.39 -0.27 -0.08 0.00 -0.96 0.00 0.00 56.93 56.01 1uk5 s PHE 49 Cb 0.38 -2.33 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 1uk5 s PHE 49 CO -0.07 -0.38 0.38 -2.00 -1.46 0.00 0.00 175.22 171.69 1uk5 s GLU 50 N -4.37 0.33 0.00 10.12 2.12 -1.26 -4.98 118.70 120.66 1uk5 s GLU 50 Ca 0.53 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1uk5 s GLU 50 Cb -0.10 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.32 1uk5 s GLU 50 CO 0.34 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1uk5 n GLY 51 N 4.57 0.07 0.00 -1.50 0.00 -1.26 -4.95 105.19 102.13 1uk5 n GLY 51 Ca -0.19 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1uk5 n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uk5 n LYS 52 N 0.00 1.17 -0.01 1.61 0.00 -1.26 -3.90 118.16 115.77 1uk5 n LYS 52 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 1uk5 n LYS 52 Cb 0.00 0.00 0.57 0.00 -0.00 0.00 0.00 35.03 35.60 1uk5 n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1uk5 n LYS 53 N 0.00 1.11 -0.04 -1.58 5.02 -1.08 -2.98 118.16 118.61 1uk5 n LYS 53 Ca 0.00 -0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.10 1uk5 n LYS 53 Cb 0.00 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 1uk5 n LYS 53 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1uk5 n THR 54 N -0.64 0.58 -1.64 -0.18 5.66 -1.26 -4.87 114.28 111.93 1uk5 n THR 54 Ca 0.15 -0.45 -0.50 0.00 -3.05 0.00 0.00 64.05 60.21 1uk5 n THR 54 Cb 0.11 -0.41 -0.05 0.00 -1.55 0.00 0.00 70.33 68.43 1uk5 n THR 54 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1uk5 n ASP 55 N -2.30 2.49 -0.08 1.09 -0.08 -1.16 -4.81 116.55 111.69 1uk5 n ASP 55 Ca -0.15 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.35 1uk5 n ASP 55 Cb 0.73 -1.30 0.51 0.00 2.34 0.00 0.00 41.12 43.40 1uk5 n ASP 55 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1uk5 h LYS 56 N 5.83 0.37 0.41 -0.67 1.63 -1.94 -1.34 116.57 120.86 1uk5 h LYS 56 Ca -0.47 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.29 1uk5 h LYS 56 Cb 1.29 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1uk5 h LYS 56 CO 0.86 0.24 -0.21 -0.22 -3.45 0.00 0.00 179.45 176.67 1uk5 h LYS 57 N 0.38 -0.55 -0.69 1.90 1.63 -1.94 -1.97 116.57 115.32 1uk5 h LYS 57 Ca 0.28 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.26 1uk5 h LYS 57 Cb 0.60 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 32.23 1uk5 h LYS 57 CO -0.08 -0.37 -0.19 -0.92 -3.45 0.00 0.00 179.45 174.45 1uk5 h TYR 58 N -0.57 -0.42 -0.14 1.91 3.20 -1.51 0.11 116.97 119.55 1uk5 h TYR 58 Ca -0.05 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1uk5 h TYR 58 Cb 0.45 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1uk5 h TYR 58 CO -0.06 -0.31 -0.19 -0.07 -1.64 0.00 0.00 178.16 175.89 1uk5 h LEU 59 N -0.01 -0.60 -0.66 2.82 4.07 -1.23 0.56 115.31 120.26 1uk5 h LEU 59 Ca 0.33 0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.53 1uk5 h LEU 59 Cb 0.51 0.28 -0.11 0.00 1.08 0.00 0.00 40.66 42.42 1uk5 h LEU 59 CO -0.72 -0.24 -0.03 0.24 -1.08 0.00 0.00 178.44 176.61 1uk5 h MET 60 N -0.24 0.09 -0.28 1.13 2.86 -0.07 0.61 114.93 119.02 1uk5 h MET 60 Ca 0.10 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1uk5 h MET 60 Cb 0.39 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1uk5 h MET 60 CO -0.28 0.06 0.00 0.82 1.06 0.00 0.00 176.91 178.57 1uk5 h ILE 61 N 0.09 1.25 0.10 -1.22 2.04 -0.21 0.62 117.51 120.18 1uk5 h ILE 61 Ca 0.34 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1uk5 h ILE 61 Cb 0.56 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1uk5 h ILE 61 CO -0.59 0.29 -0.32 -0.08 0.00 0.00 0.00 178.15 177.45 1uk5 h GLU 62 N 0.29 -0.52 -0.69 2.37 4.22 0.23 0.44 114.58 120.92 1uk5 h GLU 62 Ca 0.08 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 1uk5 h GLU 62 Cb 0.42 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1uk5 h GLU 62 CO 0.01 -0.34 0.41 1.05 -2.18 0.00 0.00 179.01 177.96 1uk5 h GLU 63 N -0.54 0.93 0.91 1.92 4.11 0.16 -2.99 114.58 119.08 1uk5 h GLU 63 Ca 0.03 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1uk5 h GLU 63 Cb 0.58 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1uk5 h GLU 63 CO -0.20 0.65 -0.44 1.88 0.07 0.00 0.00 179.01 180.97 1uk5 h TYR 64 N 0.95 -1.13 -0.92 2.06 0.05 0.17 -2.28 116.97 115.86 1uk5 h TYR 64 Ca 0.25 -0.03 0.37 0.00 0.05 0.00 0.00 58.73 59.37 1uk5 h TYR 64 Cb -0.03 0.38 -0.17 0.00 1.01 0.00 0.00 36.73 37.92 1uk5 h TYR 64 CO 0.00 -0.70 0.44 1.28 -1.05 0.00 0.00 178.16 178.13 1uk5 n LEU 65 N -5.59 0.27 0.04 3.88 4.77 0.14 0.19 117.00 120.71 1uk5 n LEU 65 Ca -0.15 1.53 -0.13 0.00 -0.03 0.00 0.00 56.01 57.23 1uk5 n LEU 65 Cb 0.48 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1uk5 n LEU 65 CO 0.37 -1.70 0.75 0.74 -1.33 0.00 0.00 177.39 176.22 1uk5 h THR 66 N 0.00 1.09 -1.03 -5.08 2.02 -1.35 -0.61 112.91 107.95 1uk5 h THR 66 Ca 0.76 -0.47 0.40 0.00 0.77 0.00 0.00 66.41 67.87 1uk5 h THR 66 Cb 1.97 1.41 -0.15 0.00 -1.74 0.00 0.00 68.15 69.63 1uk5 h THR 66 CO -0.73 0.12 0.60 0.29 0.37 0.00 0.00 175.52 176.17 1uk5 n LYS 67 N -5.02 -0.05 0.11 6.66 5.02 0.51 0.26 118.16 125.65 1uk5 n LYS 67 Ca -0.08 1.24 -0.24 0.00 -2.02 0.00 0.00 58.31 57.21 1uk5 n LYS 67 Cb 0.14 -2.29 -0.15 0.00 -0.02 0.00 0.00 35.03 32.71 1uk5 n LYS 67 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1uk5 h GLU 68 N 0.00 0.46 -0.34 1.97 3.07 -1.17 -0.96 114.58 117.60 1uk5 h GLU 68 Ca 0.79 -0.78 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1uk5 h GLU 68 Cb 2.24 0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 30.43 1uk5 h GLU 68 CO -0.63 1.37 0.13 1.25 -1.40 0.00 0.00 179.01 179.73 1uk5 h LEU 69 N 0.12 0.48 -0.50 1.33 6.46 0.45 -0.40 115.31 123.26 1uk5 h LEU 69 Ca -0.31 -0.18 -0.17 0.00 -0.12 0.00 0.00 57.88 57.11 1uk5 h LEU 69 Cb 2.13 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.93 1uk5 h LEU 69 CO 0.22 0.53 -0.69 0.17 -0.62 0.00 0.00 178.44 178.04 1uk5 h LEU 70 N 0.41 0.35 0.00 2.25 -0.00 0.34 -2.36 115.31 116.30 1uk5 h LEU 70 Ca 0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1uk5 h LEU 70 Cb 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1uk5 h LEU 70 CO -0.01 0.94 0.00 0.00 -0.00 0.00 0.00 178.44 179.37 1uk5 n ALA 71 N -2.48 1.90 0.03 0.17 0.00 -0.36 -1.48 120.51 118.29 1uk5 n ALA 71 Ca -0.03 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1uk5 n ALA 71 Cb 0.68 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1uk5 n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uk5 n LEU 72 N -1.34 0.38 0.10 0.00 4.77 -0.19 -4.00 117.00 116.73 1uk5 n LEU 72 Ca 0.07 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1uk5 n LEU 72 Cb 0.15 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1uk5 n LEU 72 CO 0.14 -0.05 0.26 -0.78 -1.33 0.00 0.00 177.39 175.63 1uk5 h ASP 73 N 0.00 0.00 0.51 -1.43 1.82 -1.15 -3.10 116.42 113.08 1uk5 h ASP 73 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1uk5 h ASP 73 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1uk5 h ASP 73 CO 0.00 0.66 0.00 -0.24 -1.61 0.00 0.00 179.24 178.06 1uk5 n SER 74 N -3.21 0.50 -4.71 2.28 2.88 -1.09 -4.63 113.62 105.63 1uk5 n SER 74 Ca -0.00 0.65 -0.42 0.00 -1.33 0.00 0.00 58.87 57.76 1uk5 n SER 74 Cb 0.81 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1uk5 n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1uk5 s VAL 75 N -3.29 4.86 -0.24 2.46 1.01 -1.17 -5.03 120.40 119.00 1uk5 s VAL 75 Ca 0.03 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.05 1uk5 s VAL 75 Cb 0.08 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1uk5 s VAL 75 CO 0.31 0.18 -0.13 -0.62 0.00 0.00 0.00 175.10 174.83 1uk5 s ASP 76 N 0.94 4.07 0.14 3.32 2.15 -1.26 -4.98 116.67 121.05 1uk5 s ASP 76 Ca 0.51 -1.17 -0.04 0.00 0.43 0.00 0.00 52.55 52.28 1uk5 s ASP 76 Cb -0.21 -1.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.82 1uk5 s ASP 76 CO 0.27 -0.13 1.34 1.55 -0.17 0.00 0.00 175.17 178.03 1uk5 h PRO 77 N 7.83 0.44 0.00 4.34 0.13 -1.94 -3.47 132.00 139.33 1uk5 h PRO 77 Ca -0.27 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1uk5 h PRO 77 Cb 1.07 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1uk5 h PRO 77 CO 0.52 1.08 0.00 0.39 -0.23 0.00 0.00 178.00 179.75 1uk5 n GLU 78 N -3.79 -0.77 0.00 0.86 1.02 -1.26 -3.73 120.64 112.98 1uk5 n GLU 78 Ca -0.06 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1uk5 n GLU 78 Cb 0.79 -3.81 0.00 0.00 -0.02 0.00 0.00 31.44 28.40 1uk5 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uk5 n GLY 79 N -1.35 0.67 2.58 0.62 0.00 -1.26 -5.12 105.19 101.32 1uk5 n GLY 79 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1uk5 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uk5 s ARG 80 N -0.99 0.14 0.17 1.61 0.52 -1.24 -5.02 118.95 114.14 1uk5 s ARG 80 Ca 0.00 -0.32 -0.24 0.00 -0.52 0.00 0.00 55.73 54.65 1uk5 s ARG 80 Cb 0.00 -1.40 0.06 0.00 0.52 0.00 0.00 34.95 34.13 1uk5 s ARG 80 CO 0.00 -0.87 1.57 0.00 0.02 0.00 0.00 175.30 176.02 1uk5 h ALA 81 N 8.41 -0.23 -0.77 2.13 0.00 -1.96 1.16 119.26 127.99 1uk5 h ALA 81 Ca -0.18 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1uk5 h ALA 81 Cb 1.07 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 1uk5 h ALA 81 CO 0.37 -0.78 -0.48 -0.44 0.00 0.00 0.00 179.25 177.92 1uk5 h ASP 82 N -0.21 -1.76 0.70 0.00 3.32 -1.99 1.46 116.42 117.94 1uk5 h ASP 82 Ca 0.19 0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1uk5 h ASP 82 Cb 0.56 0.77 0.01 0.00 0.22 0.00 0.00 39.33 40.89 1uk5 h ASP 82 CO -0.68 -0.21 -0.33 0.58 -1.72 0.00 0.00 179.24 176.88 1uk5 h VAL 83 N -0.04 0.32 -0.06 -1.35 2.07 -1.41 -2.11 116.25 113.67 1uk5 h VAL 83 Ca 0.12 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1uk5 h VAL 83 Cb 0.35 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1uk5 h VAL 83 CO -0.74 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 176.83 1uk5 h ARG 84 N -0.93 -0.02 -0.93 1.57 3.08 0.28 1.30 114.38 118.73 1uk5 h ARG 84 Ca -0.10 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1uk5 h ARG 84 Cb 0.72 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.65 1uk5 h ARG 84 CO 0.16 -0.02 -0.51 0.94 -1.07 0.00 0.00 179.97 179.47 1uk5 n GLN 85 N -3.05 -0.37 -0.30 0.04 7.27 0.48 0.18 117.38 121.63 1uk5 n GLN 85 Ca -0.00 1.41 0.03 0.00 0.07 0.00 0.00 57.00 58.51 1uk5 n GLN 85 Cb 0.03 -2.08 0.17 0.00 2.41 0.00 0.00 30.24 30.77 1uk5 n GLN 85 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1uk5 h ALA 86 N 0.64 1.21 -0.41 1.69 0.00 -0.57 1.74 119.26 123.57 1uk5 h ALA 86 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1uk5 h ALA 86 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1uk5 h ALA 86 CO -0.89 0.15 0.28 -0.09 0.00 0.00 0.00 179.25 178.70 1uk5 h ARG 87 N 0.85 0.38 0.00 0.00 2.43 1.19 -0.87 114.38 118.37 1uk5 h ARG 87 Ca 0.40 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.42 1uk5 h ARG 87 Cb 0.33 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1uk5 h ARG 87 CO -0.23 0.25 -0.80 0.00 -1.51 0.00 0.00 179.97 177.68 1uk5 h ARG 88 N 0.39 0.00 -0.79 0.20 3.08 0.28 -3.17 114.38 114.37 1uk5 h ARG 88 Ca 0.17 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.32 1uk5 h ARG 88 Cb 0.19 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.12 1uk5 h ARG 88 CO -0.04 0.70 -0.50 0.22 -1.07 0.00 0.00 179.97 179.28 1uk5 h ASP 89 N -1.00 -1.78 0.29 7.04 1.82 0.26 1.43 116.42 124.49 1uk5 h ASP 89 Ca -0.19 0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1uk5 h ASP 89 Cb 0.98 0.81 -0.03 0.00 0.68 0.00 0.00 39.33 41.77 1uk5 h ASP 89 CO -0.12 -0.30 -0.39 1.23 -1.61 0.00 0.00 179.24 178.05 1uk5 h GLY 90 N -0.12 -0.88 0.14 -0.78 0.00 -1.35 -0.25 103.07 99.84 1uk5 h GLY 90 Ca 0.19 0.46 0.18 0.00 0.00 0.00 0.00 47.33 48.16 1uk5 h GLY 90 CO -0.83 -0.30 0.53 -2.08 0.00 0.00 0.00 176.54 173.87 1uk5 h VAL 91 N -0.74 0.70 -0.17 4.60 2.07 -1.06 0.73 116.25 122.39 1uk5 h VAL 91 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1uk5 h VAL 91 Cb 0.69 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1uk5 h VAL 91 CO -0.13 0.13 0.03 0.03 0.02 0.00 0.00 177.57 177.65 1uk5 h ARG 92 N 0.69 0.23 0.21 1.57 3.08 0.29 0.37 114.38 120.82 1uk5 h ARG 92 Ca 0.53 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.55 1uk5 h ARG 92 Cb 0.81 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1uk5 h ARG 92 CO -0.38 0.23 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.42 1uk5 h LYS 93 N 0.23 -0.27 -0.71 0.04 1.63 0.21 -2.44 116.57 115.26 1uk5 h LYS 93 Ca 0.06 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 1uk5 h LYS 93 Cb 0.11 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 1uk5 h LYS 93 CO -0.00 0.09 0.37 0.28 -3.45 0.00 0.00 179.45 176.74 1uk5 h VAL 94 N -0.93 0.88 0.09 2.00 2.07 -0.72 -0.93 116.25 118.72 1uk5 h VAL 94 Ca -0.03 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1uk5 h VAL 94 Cb 0.49 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1uk5 h VAL 94 CO 0.05 0.12 -0.38 1.56 0.02 0.00 0.00 177.57 178.93 1uk5 h GLN 95 N 0.64 -0.58 -0.46 1.57 1.08 -0.31 0.30 115.11 117.35 1uk5 h GLN 95 Ca 0.34 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.67 1uk5 h GLN 95 Cb 0.33 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.82 1uk5 h GLN 95 CO -0.25 -0.39 -0.00 1.15 -0.95 0.00 0.00 178.83 178.39 1uk5 h THR 96 N -0.60 0.64 -0.14 -0.54 2.02 -0.88 -1.21 112.91 112.21 1uk5 h THR 96 Ca 0.03 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1uk5 h THR 96 Cb 0.64 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1uk5 h THR 96 CO -0.24 0.02 -0.13 0.40 0.37 0.00 0.00 175.52 175.94 1uk5 h ILE 97 N 0.11 0.64 -1.00 3.11 2.04 -0.50 0.17 117.51 122.08 1uk5 h ILE 97 Ca 0.23 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.36 1uk5 h ILE 97 Cb 0.34 0.64 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 1uk5 h ILE 97 CO -0.38 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.28 1uk5 h LEU 98 N -0.15 0.62 -0.56 1.44 3.38 0.72 1.79 115.31 122.54 1uk5 h LEU 98 Ca 0.09 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1uk5 h LEU 98 Cb 0.29 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1uk5 h LEU 98 CO -0.23 0.02 -0.45 -0.08 0.09 0.00 0.00 178.44 177.79 1uk5 h GLU 99 N 0.49 0.00 0.16 1.13 4.22 -0.14 -3.13 114.58 117.31 1uk5 h GLU 99 Ca 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 60.11 1uk5 h GLU 99 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1uk5 h GLU 99 CO -0.52 0.45 -0.08 -0.22 -2.18 0.00 0.00 179.01 176.46 1uk5 h LYS 100 N 0.00 -0.20 -0.87 1.92 3.64 0.53 -3.01 116.57 118.58 1uk5 h LYS 100 Ca -0.00 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1uk5 h LYS 100 Cb 1.11 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.82 1uk5 h LYS 100 CO 0.06 -0.13 -0.04 -0.11 -2.27 0.00 0.00 179.45 176.95 1uk5 n LEU 101 N -3.04 -0.16 -0.01 5.20 7.94 0.42 0.18 117.00 127.53 1uk5 n LEU 101 Ca -0.03 1.48 -0.05 0.00 -1.11 0.00 0.00 56.01 56.31 1uk5 n LEU 101 Cb 0.08 -0.52 -0.03 0.00 0.53 0.00 0.00 43.42 43.49 1uk5 n LEU 101 CO 0.06 -1.48 0.50 -0.08 -1.11 0.00 0.00 177.39 175.28 1uk5 h GLU 102 N 0.00 -0.16 -0.56 1.96 4.81 -1.58 0.38 114.58 119.43 1uk5 h GLU 102 Ca 0.50 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.84 1uk5 h GLU 102 Cb 0.97 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1uk5 h GLU 102 CO -0.84 -0.11 0.38 1.96 -0.73 0.00 0.00 179.01 179.68 1uk5 h GLN 103 N -0.16 0.30 -0.45 1.92 4.20 -0.41 0.21 115.11 120.72 1uk5 h GLN 103 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1uk5 h GLN 103 Cb 0.20 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1uk5 h GLN 103 CO -0.14 0.20 0.21 0.87 -0.67 0.00 0.00 178.83 179.30 1uk5 h LYS 104 N 0.31 0.63 -1.60 1.46 1.79 0.17 -1.80 116.57 117.54 1uk5 h LYS 104 Ca 0.26 -0.07 -0.55 0.00 -2.18 0.00 0.00 60.65 58.11 1uk5 h LYS 104 Cb 0.62 -0.12 -0.21 0.00 -1.58 0.00 0.00 32.23 30.93 1uk5 h LYS 104 CO -0.06 0.50 0.66 0.00 -1.08 0.00 0.00 179.45 179.47 1uk5 n ALA 105 N -2.47 6.07 -1.31 3.86 0.00 0.11 -3.75 120.51 123.02 1uk5 n ALA 105 Ca 0.03 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1uk5 n ALA 105 Cb 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1uk5 n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uk5 n SER 106 N -0.03 0.00 -3.63 0.00 7.64 -0.68 -2.65 113.62 114.28 1uk5 n SER 106 Ca 0.48 -1.22 0.01 0.00 1.01 0.00 0.00 58.87 59.16 1uk5 n SER 106 Cb 0.53 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1uk5 n SER 106 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uk5 s GLY 107 N -0.22 -0.40 -0.08 0.23 0.00 -1.25 -5.06 107.32 100.54 1uk5 s GLY 107 Ca 0.00 0.65 -0.27 0.00 0.00 0.00 0.00 44.72 45.10 1uk5 s GLY 107 CO 0.00 0.34 0.99 -0.56 0.00 0.00 0.00 173.10 173.87 1uk5 h PRO 108 N 2.00 -0.01 -1.21 2.90 0.13 -1.89 -3.42 132.00 130.50 1uk5 h PRO 108 Ca -0.30 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1uk5 h PRO 108 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1uk5 h PRO 108 CO 0.29 0.72 0.75 -1.54 -0.23 0.00 0.00 178.00 177.98 1uk5 s SER 109 N -5.93 -0.16 -0.36 1.44 1.04 -1.26 -4.93 113.70 103.53 1uk5 s SER 109 Ca -0.17 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1uk5 s SER 109 Cb -0.01 0.41 0.12 0.00 0.10 0.00 0.00 66.02 66.63 1uk5 s SER 109 CO 0.67 -0.05 0.16 -0.55 0.98 0.00 0.00 173.24 174.44 1uk5 s SER 110 N 0.21 3.84 0.00 7.02 0.15 -1.26 -5.24 113.70 118.42 1uk5 s SER 110 Ca 0.05 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.63 1uk5 s SER 110 Cb -0.05 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1uk5 s SER 110 CO -0.13 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.57