#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohq s VAL 2 N 0.00 4.21 -0.01 2.62 1.01 -1.26 -4.32 120.40 122.64 1ohq s VAL 2 Ca 0.00 1.89 -0.06 0.00 0.00 0.00 0.00 61.98 63.82 1ohq s VAL 2 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1ohq s VAL 2 CO 0.00 0.32 0.12 -1.10 0.00 0.00 0.00 175.10 174.44 1ohq s GLN 3 N -0.26 0.36 -0.12 2.72 -0.21 -0.72 -5.02 119.66 116.40 1ohq s GLN 3 Ca 0.47 -0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.62 1ohq s GLN 3 Cb -0.26 0.15 0.02 0.00 1.00 0.00 0.00 33.01 33.93 1ohq s GLN 3 CO 0.32 -0.08 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.82 1ohq s LEU 4 N -0.92 1.28 -0.26 2.90 1.02 -1.26 -2.07 118.68 119.37 1ohq s LEU 4 Ca -0.10 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 53.72 1ohq s LEU 4 Cb -0.06 -0.91 0.05 0.00 0.02 0.00 0.00 46.19 45.30 1ohq s LEU 4 CO 0.01 -0.11 -0.08 -0.22 0.02 0.00 0.00 176.35 175.97 1ohq s LEU 5 N 1.67 3.41 0.20 1.79 2.96 -0.99 -4.12 118.68 123.60 1ohq s LEU 5 Ca 0.05 -1.21 -0.15 0.00 -0.22 0.00 0.00 54.13 52.60 1ohq s LEU 5 Cb -0.13 -1.61 -0.08 0.00 0.50 0.00 0.00 46.19 44.88 1ohq s LEU 5 CO -0.09 -0.18 0.61 -1.61 -1.32 0.00 0.00 176.35 173.76 1ohq s GLU 6 N 1.19 4.01 0.30 1.98 2.02 -1.26 -1.56 118.70 125.38 1ohq s GLU 6 Ca -0.05 0.56 0.01 0.00 0.02 0.00 0.00 54.97 55.50 1ohq s GLU 6 Cb -0.19 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 1ohq s GLU 6 CO -0.05 0.39 0.33 -1.54 0.02 0.00 0.00 175.26 174.41 1ohq s SER 7 N -1.89 0.96 0.00 -0.19 1.04 -0.78 -5.00 113.70 107.83 1ohq s SER 7 Ca 0.43 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1ohq s SER 7 Cb -0.14 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ohq s SER 7 CO 0.20 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1ohq n GLY 8 N -0.51 -1.83 0.05 7.32 0.00 -1.26 -1.83 105.19 107.12 1ohq n GLY 8 Ca 0.03 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.40 1ohq n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohq n GLY 9 N 0.00 -1.89 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.10 1ohq n GLY 9 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1ohq n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohq n GLY 10 N -2.40 0.45 3.01 -0.02 0.00 -1.00 -5.01 105.19 100.22 1ohq n GLY 10 Ca -0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1ohq n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ohq s LEU 11 N 0.00 1.65 0.21 0.99 2.96 -1.26 -1.22 118.68 122.01 1ohq s LEU 11 Ca 0.00 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1ohq s LEU 11 Cb 0.00 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1ohq s LEU 11 CO 0.00 -0.06 0.02 0.68 -1.32 0.00 0.00 176.35 175.67 1ohq s VAL 12 N 1.49 0.80 0.39 1.68 -7.23 -0.62 -5.02 120.40 111.89 1ohq s VAL 12 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1ohq s VAL 12 Cb -0.13 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1ohq s VAL 12 CO -0.10 -0.33 0.63 -1.10 -0.31 0.00 0.00 175.10 173.89 1ohq s GLN 13 N -3.92 3.49 0.24 4.82 -0.21 -1.26 -2.18 119.66 120.64 1ohq s GLN 13 Ca 0.28 -0.18 -0.31 0.00 0.02 0.00 0.00 55.36 55.18 1ohq s GLN 13 Cb 0.06 -2.57 -0.14 0.00 1.00 0.00 0.00 33.01 31.36 1ohq s GLN 13 CO 0.08 0.03 1.32 -2.30 -2.12 0.00 0.00 175.29 172.29 1ohq n PRO 14 N -1.94 1.80 0.00 2.91 -0.02 -1.26 -1.87 135.00 134.61 1ohq n PRO 14 Ca -0.03 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ohq n PRO 14 Cb 0.56 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1ohq n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ohq n GLY 15 N 1.96 1.61 0.00 -1.23 0.00 -0.14 -4.94 105.19 102.45 1ohq n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ohq n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohq n GLY 16 N -2.00 -1.14 3.55 -0.02 0.00 -0.78 -4.11 105.19 100.67 1ohq n GLY 16 Ca 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1ohq n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ohq s SER 17 N -1.12 -0.26 -0.06 1.61 1.04 -1.26 -2.49 113.70 111.15 1ohq s SER 17 Ca 0.00 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1ohq s SER 17 Cb 0.00 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1ohq s SER 17 CO 0.00 -1.08 0.51 -0.76 0.98 0.00 0.00 173.24 172.89 1ohq s LEU 18 N -2.88 0.05 -0.23 2.42 1.43 -0.90 -5.01 118.68 113.56 1ohq s LEU 18 Ca 0.10 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1ohq s LEU 18 Cb -0.01 1.91 0.03 0.00 0.03 0.00 0.00 46.19 48.15 1ohq s LEU 18 CO -0.02 -0.47 -0.11 -0.60 0.23 0.00 0.00 176.35 175.38 1ohq s ARG 19 N -0.98 2.75 0.32 1.70 3.52 -1.26 -1.05 118.95 123.95 1ohq s ARG 19 Ca -0.10 -1.02 -0.25 0.00 -0.13 0.00 0.00 55.73 54.23 1ohq s ARG 19 Cb -0.03 -2.86 -0.10 0.00 -1.56 0.00 0.00 34.95 30.41 1ohq s ARG 19 CO 0.06 -0.39 0.92 -0.51 -0.81 0.00 0.00 175.30 174.58 1ohq s LEU 20 N 1.27 4.31 0.15 -0.88 1.02 -1.02 -4.38 118.68 119.14 1ohq s LEU 20 Ca -0.01 1.79 0.10 0.00 0.02 0.00 0.00 54.13 56.03 1ohq s LEU 20 Cb -0.16 -4.01 -0.04 0.00 0.02 0.00 0.00 46.19 41.99 1ohq s LEU 20 CO -0.07 -0.08 -0.24 -0.44 0.02 0.00 0.00 176.35 175.55 1ohq s SER 21 N -1.66 3.10 -0.31 2.29 0.01 -0.76 -1.90 113.70 114.46 1ohq s SER 21 Ca 0.50 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 1ohq s SER 21 Cb -0.18 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 65.97 1ohq s SER 21 CO 0.23 0.10 0.18 0.00 0.41 0.00 0.00 173.24 174.16 1ohq s ALA 23 N 1.74 3.25 0.34 0.00 0.00 -0.60 -1.29 121.76 125.20 1ohq s ALA 23 Ca 0.12 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1ohq s ALA 23 Cb -0.18 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1ohq s ALA 23 CO -0.22 -2.02 0.77 0.00 0.00 0.00 0.00 175.76 174.29 1ohq s ALA 24 N 3.58 3.28 -0.04 0.00 0.00 -0.59 -2.34 121.76 125.65 1ohq s ALA 24 Ca 0.34 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 1ohq s ALA 24 Cb -0.11 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1ohq s ALA 24 CO 0.25 0.28 0.21 -1.54 0.00 0.00 0.00 175.76 174.96 1ohq s SER 25 N -2.31 -0.13 0.00 0.00 1.04 -0.88 -4.86 113.70 106.56 1ohq s SER 25 Ca 0.55 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1ohq s SER 25 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1ohq s SER 25 CO 0.17 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1ohq n GLY 26 N 2.07 0.87 3.82 7.32 0.00 -1.26 -1.75 105.19 116.26 1ohq n GLY 26 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1ohq n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ohq s PHE 27 N -2.41 -0.06 -0.22 1.61 -0.12 -1.26 -4.77 117.98 110.75 1ohq s PHE 27 Ca 0.00 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.40 1ohq s PHE 27 Cb 0.00 0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 43.05 1ohq s PHE 27 CO 0.00 -1.11 0.14 1.03 -0.05 0.00 0.00 175.22 175.24 1ohq s ARG 28 N -3.05 4.10 0.46 1.99 1.81 -1.26 -4.94 118.95 118.06 1ohq s ARG 28 Ca 0.14 -0.26 0.19 0.00 -1.72 0.00 0.00 55.73 54.08 1ohq s ARG 28 Cb -0.04 -3.48 1.09 0.00 -0.45 0.00 0.00 34.95 32.08 1ohq s ARG 28 CO 0.06 0.16 1.98 -0.84 -0.68 0.00 0.00 175.30 175.97 1ohq h ILE 29 N 4.89 0.95 0.00 1.52 3.07 -1.94 -2.80 117.51 123.21 1ohq h ILE 29 Ca -0.39 -0.76 -0.04 0.00 1.55 0.00 0.00 64.86 65.22 1ohq h ILE 29 Cb 1.16 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 1ohq h ILE 29 CO 0.69 0.20 -0.18 0.77 -1.05 0.00 0.00 178.15 178.58 1ohq h SER 30 N 0.00 0.00 1.46 2.16 4.64 -1.94 -2.88 113.55 116.99 1ohq h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ohq h SER 30 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ohq h SER 30 CO 0.03 0.18 -0.14 0.44 -0.87 0.00 0.00 176.83 176.47 1ohq h ASP 31 N 0.00 0.00 -3.28 4.97 3.32 -1.84 -3.41 116.42 116.18 1ohq h ASP 31 Ca -0.00 -0.04 -0.65 0.00 0.02 0.00 0.00 57.03 56.36 1ohq h ASP 31 Cb 0.55 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.99 1ohq h ASP 31 CO 0.02 0.02 -0.63 -1.61 -1.72 0.00 0.00 179.24 175.32 1ohq s GLU 32 N -3.14 2.72 -0.50 3.56 0.41 -1.09 -4.82 118.70 115.83 1ohq s GLU 32 Ca 0.09 -0.75 -0.28 0.00 -0.41 0.00 0.00 54.97 53.62 1ohq s GLU 32 Cb 0.11 -2.64 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1ohq s GLU 32 CO 0.64 0.56 1.35 -0.51 -0.49 0.00 0.00 175.26 176.81 1ohq s ASP 33 N -2.26 6.31 0.37 -0.19 1.01 -1.26 -3.13 116.67 117.52 1ohq s ASP 33 Ca 0.26 0.47 0.08 0.00 0.71 0.00 0.00 52.55 54.08 1ohq s ASP 33 Cb -0.12 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1ohq s ASP 33 CO 0.19 -1.52 0.17 -0.04 0.21 0.00 0.00 175.17 174.18 1ohq s MET 34 N 5.10 2.33 0.06 8.23 -1.94 -0.62 -2.22 119.30 130.23 1ohq s MET 34 Ca 0.54 -1.64 -0.17 0.00 -1.71 0.00 0.00 55.69 52.71 1ohq s MET 34 Cb -0.11 -2.13 0.06 0.00 2.01 0.00 0.00 34.83 34.66 1ohq s MET 34 CO 0.29 0.01 0.78 0.41 -0.01 0.00 0.00 175.02 176.50 1ohq n GLY 35 N -1.21 0.61 3.19 -0.03 0.00 -0.24 -1.19 105.19 106.33 1ohq n GLY 35 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1ohq n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ohq s TRP 36 N -2.91 2.12 -0.10 1.61 0.52 -0.19 -1.39 118.94 118.62 1ohq s TRP 36 Ca 0.18 -0.68 0.04 0.00 0.02 0.00 0.00 56.10 55.65 1ohq s TRP 36 Cb -0.01 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 1ohq s TRP 36 CO 0.02 -0.24 -0.23 0.08 0.02 0.00 0.00 176.95 176.60 1ohq s VAL 37 N 0.06 2.00 0.03 4.03 1.01 0.01 -1.31 120.40 126.22 1ohq s VAL 37 Ca -0.07 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1ohq s VAL 37 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1ohq s VAL 37 CO 0.04 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 1ohq s ARG 38 N 0.34 2.48 -0.15 2.72 1.70 -0.46 0.16 118.95 125.74 1ohq s ARG 38 Ca -0.18 -0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1ohq s ARG 38 Cb -0.18 -2.48 0.04 0.00 -0.57 0.00 0.00 34.95 31.76 1ohq s ARG 38 CO 0.08 0.58 -0.07 -1.14 -1.08 0.00 0.00 175.30 173.67 1ohq s GLN 39 N -1.68 1.60 0.12 3.89 0.74 -0.35 -2.09 119.66 121.89 1ohq s GLN 39 Ca 0.19 -0.49 0.11 0.00 0.05 0.00 0.00 55.36 55.22 1ohq s GLN 39 Cb -0.11 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1ohq s GLN 39 CO 0.10 -0.37 -0.27 0.00 -0.55 0.00 0.00 175.29 174.20 1ohq s ALA 40 N 1.61 2.33 0.03 1.58 0.00 -1.20 -1.25 121.76 124.86 1ohq s ALA 40 Ca 0.02 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 1ohq s ALA 40 Cb -0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1ohq s ALA 40 CO -0.08 0.53 1.36 -1.25 0.00 0.00 0.00 175.76 176.32 1ohq s PRO 41 N -1.95 4.32 0.00 0.00 0.04 -1.26 -2.53 135.00 133.61 1ohq s PRO 41 Ca 0.13 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1ohq s PRO 41 Cb -0.10 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1ohq s PRO 41 CO 0.05 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1ohq n GLY 42 N 3.54 3.42 0.24 0.56 0.00 -1.26 -4.84 105.19 106.84 1ohq n GLY 42 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1ohq n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ohq n LYS 43 N -1.91 2.93 0.00 1.61 5.02 -1.05 -5.10 118.16 119.67 1ohq n LYS 43 Ca 0.00 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1ohq n LYS 43 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ohq n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ohq n GLY 44 N -0.11 3.38 3.30 0.72 0.00 -1.08 -4.71 105.19 106.68 1ohq n GLY 44 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1ohq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ohq s LEU 45 N 0.00 2.33 -0.22 0.99 1.02 -1.26 -3.26 118.68 118.28 1ohq s LEU 45 Ca 0.00 -0.73 -0.11 0.00 0.02 0.00 0.00 54.13 53.31 1ohq s LEU 45 Cb 0.00 -0.88 0.08 0.00 0.02 0.00 0.00 46.19 45.41 1ohq s LEU 45 CO 0.00 0.04 0.53 -0.70 0.02 0.00 0.00 176.35 176.23 1ohq s GLU 46 N -2.13 0.50 -0.45 1.70 2.12 -0.89 -5.00 118.70 114.56 1ohq s GLU 46 Ca 0.09 1.05 -0.28 0.00 0.36 0.00 0.00 54.97 56.19 1ohq s GLU 46 Cb -0.09 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 1ohq s GLU 46 CO 0.05 -0.18 1.71 -1.58 -0.54 0.00 0.00 175.26 174.72 1ohq s TRP 47 N 1.87 1.92 0.07 5.30 0.52 -1.26 -1.36 118.94 126.00 1ohq s TRP 47 Ca -0.08 0.67 -0.14 0.00 0.02 0.00 0.00 56.10 56.57 1ohq s TRP 47 Cb -0.08 -4.18 -0.24 0.00 -1.15 0.00 0.00 33.47 27.82 1ohq s TRP 47 CO -0.16 -2.51 1.17 -0.24 0.02 0.00 0.00 176.95 175.24 1ohq h VAL 48 N 6.73 1.29 -2.60 4.03 3.04 -1.57 -3.38 116.25 123.78 1ohq h VAL 48 Ca -0.30 -2.32 0.03 0.00 -1.01 0.00 0.00 66.70 63.10 1ohq h VAL 48 Cb 1.15 2.48 -0.14 0.00 -2.01 0.00 0.00 31.29 32.76 1ohq h VAL 48 CO 1.11 0.71 0.34 -0.55 -1.01 0.00 0.00 177.57 178.17 1ohq s SER 49 N -7.32 -0.48 0.17 3.17 0.15 -1.21 -1.85 113.70 106.33 1ohq s SER 49 Ca -0.09 0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 1ohq s SER 49 Cb 0.07 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1ohq s SER 49 CO 0.92 -0.79 0.42 -0.94 1.20 0.00 0.00 173.24 174.06 1ohq s SER 50 N -2.50 -0.16 -0.07 5.45 1.04 -0.93 -1.02 113.70 115.52 1ohq s SER 50 Ca 0.02 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 1ohq s SER 50 Cb -0.01 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1ohq s SER 50 CO -0.10 -0.96 -0.01 -0.51 0.98 0.00 0.00 173.24 172.64 1ohq s ILE 51 N -3.89 0.46 -0.75 -1.02 2.07 -0.33 -1.52 121.20 116.23 1ohq s ILE 51 Ca 0.10 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1ohq s ILE 51 Cb 0.01 -0.57 0.19 0.00 0.13 0.00 0.00 42.46 42.22 1ohq s ILE 51 CO -0.04 0.26 0.62 -0.72 -1.91 0.00 0.00 174.94 173.15 1ohq s TYR 52 N 1.71 3.61 0.00 3.50 -0.85 -1.05 -1.60 117.35 122.67 1ohq s TYR 52 Ca 0.01 -2.50 0.00 0.00 -0.52 0.00 0.00 57.07 54.06 1ohq s TYR 52 Cb -0.13 -3.45 0.00 0.00 0.38 0.00 0.00 41.96 38.77 1ohq s TYR 52 CO -0.04 -0.89 0.00 0.41 -1.52 0.00 0.00 175.55 173.51 1ohq n GLY 53 N 3.49 1.10 0.00 5.49 0.00 -1.18 -4.30 105.19 109.79 1ohq n GLY 53 Ca 0.12 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.71 1ohq n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ohq h PRO 54 N 0.00 0.00 -0.50 1.61 0.13 -1.92 -3.12 132.00 128.20 1ohq h PRO 54 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1ohq h PRO 54 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1ohq h PRO 54 CO 0.00 0.00 0.05 -1.13 -0.23 0.00 0.00 178.00 176.69 1ohq n SER 55 N -2.06 -0.03 -0.27 1.44 3.41 -1.26 -4.82 113.62 110.03 1ohq n SER 55 Ca -0.00 0.85 -0.04 0.00 -0.26 0.00 0.00 58.87 59.42 1ohq n SER 55 Cb 0.00 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 1ohq n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ohq n GLY 56 N -1.23 0.65 3.78 5.00 0.00 -1.18 -5.04 105.19 107.17 1ohq n GLY 56 Ca 0.13 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1ohq n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ohq s SER 57 N -2.72 5.17 -0.02 1.61 1.04 -1.26 -4.80 113.70 112.71 1ohq s SER 57 Ca 0.00 1.94 0.04 0.00 0.48 0.00 0.00 55.95 58.41 1ohq s SER 57 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1ohq s SER 57 CO 0.00 -1.59 -0.14 0.42 0.98 0.00 0.00 173.24 172.92 1ohq s THR 58 N -2.43 1.12 0.06 2.02 -4.23 -1.26 -2.54 115.64 108.38 1ohq s THR 58 Ca 0.66 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1ohq s THR 58 Cb -0.19 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 1ohq s THR 58 CO 0.42 0.32 0.18 -0.47 -0.54 0.00 0.00 174.62 174.54 1ohq s TYR 59 N -0.13 3.46 -0.01 3.99 5.04 -0.58 -4.98 117.35 124.14 1ohq s TYR 59 Ca 0.01 0.23 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 1ohq s TYR 59 Cb -0.08 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1ohq s TYR 59 CO 0.00 0.58 0.05 0.71 -1.34 0.00 0.00 175.55 175.55 1ohq s TYR 60 N -1.46 -0.01 0.53 4.97 1.51 -1.26 -2.18 117.35 119.44 1ohq s TYR 60 Ca 0.33 0.04 -0.22 0.00 -1.01 0.00 0.00 57.07 56.21 1ohq s TYR 60 Cb -0.13 -0.01 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 1ohq s TYR 60 CO 0.26 -0.06 1.32 0.00 -1.11 0.00 0.00 175.55 175.95 1ohq s ALA 61 N -0.24 2.85 0.40 3.71 0.00 -0.77 -4.87 121.76 122.83 1ohq s ALA 61 Ca -0.03 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.29 1ohq s ALA 61 Cb -0.02 -3.53 0.90 0.00 0.00 0.00 0.00 23.12 20.46 1ohq s ALA 61 CO 0.00 -1.24 1.96 -0.44 0.00 0.00 0.00 175.76 176.04 1ohq h ASP 62 N 1.56 0.52 0.39 0.00 5.19 -1.95 -2.38 116.42 119.74 1ohq h ASP 62 Ca -0.51 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.83 1ohq h ASP 62 Cb 1.29 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 1ohq h ASP 62 CO 0.58 0.31 -0.38 0.77 -3.12 0.00 0.00 179.24 177.40 1ohq h SER 63 N 0.57 0.00 -0.02 6.45 4.64 -1.97 -3.16 113.55 120.06 1ohq h SER 63 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ohq h SER 63 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1ohq h SER 63 CO -0.10 0.38 -0.15 1.33 -0.87 0.00 0.00 176.83 177.42 1ohq n VAL 64 N -4.08 0.00 -2.08 0.95 0.24 -0.93 -4.96 118.33 107.46 1ohq n VAL 64 Ca -0.02 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1ohq n VAL 64 Cb 0.42 1.32 -0.03 0.00 -1.47 0.00 0.00 33.84 34.08 1ohq n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ohq s LYS 65 N -1.78 4.30 0.00 7.34 1.02 -1.00 -1.56 119.74 128.06 1ohq s LYS 65 Ca 0.19 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.38 1ohq s LYS 65 Cb 0.15 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1ohq s LYS 65 CO 0.32 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1ohq n GLY 66 N 2.70 3.21 0.19 -3.33 0.00 -1.26 -4.82 105.19 101.89 1ohq n GLY 66 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1ohq n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ohq n ARG 67 N -1.48 0.45 -3.83 1.61 1.74 -0.87 -5.01 116.66 109.28 1ohq n ARG 67 Ca 0.00 0.13 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1ohq n ARG 67 Cb 0.00 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1ohq n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ohq s PHE 68 N -2.37 3.58 -0.14 -1.55 0.40 -0.60 -2.16 117.98 115.14 1ohq s PHE 68 Ca -0.26 0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1ohq s PHE 68 Cb 0.08 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1ohq s PHE 68 CO 0.40 0.66 0.03 0.99 0.70 0.00 0.00 175.22 178.00 1ohq s THR 69 N -1.21 0.41 0.25 0.64 2.01 -0.48 -4.86 115.64 112.40 1ohq s THR 69 Ca 0.23 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 1ohq s THR 69 Cb -0.13 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1ohq s THR 69 CO 0.13 -0.04 0.80 -0.51 -0.69 0.00 0.00 174.62 174.31 1ohq s ILE 70 N 1.93 4.44 0.29 1.82 2.07 -1.26 -1.61 121.20 128.87 1ohq s ILE 70 Ca 0.02 1.49 -0.18 0.00 -1.41 0.00 0.00 60.65 60.57 1ohq s ILE 70 Cb -0.15 -3.93 0.02 0.00 0.13 0.00 0.00 42.46 38.53 1ohq s ILE 70 CO -0.07 0.21 0.66 -0.94 -1.91 0.00 0.00 174.94 172.90 1ohq s SER 71 N -1.60 -0.15 0.01 4.50 1.04 -1.09 -5.01 113.70 111.41 1ohq s SER 71 Ca 0.45 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1ohq s SER 71 Cb -0.18 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1ohq s SER 71 CO 0.22 -1.34 -0.03 -0.13 0.98 0.00 0.00 173.24 172.94 1ohq s ARG 72 N -3.70 0.25 -0.36 4.02 0.52 -1.26 -1.17 118.95 117.24 1ohq s ARG 72 Ca 0.15 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.09 1ohq s ARG 72 Cb -0.04 -0.10 0.10 0.00 0.52 0.00 0.00 34.95 35.43 1ohq s ARG 72 CO 0.09 0.02 0.07 0.34 0.02 0.00 0.00 175.30 175.83 1ohq s ASP 73 N -0.63 4.72 0.38 0.23 -1.08 -0.65 -5.01 116.67 114.63 1ohq s ASP 73 Ca -0.05 -2.23 0.08 0.00 -0.52 0.00 0.00 52.55 49.83 1ohq s ASP 73 Cb -0.04 -1.62 0.77 0.00 -1.46 0.00 0.00 42.92 40.56 1ohq s ASP 73 CO -0.00 -0.37 1.94 0.78 0.52 0.00 0.00 175.17 178.04 1ohq h ASN 74 N 7.52 0.35 -0.19 -0.34 2.35 -1.96 -0.78 115.58 122.52 1ohq h ASN 74 Ca -0.04 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1ohq h ASN 74 Cb 1.01 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 1ohq h ASN 74 CO 0.53 0.41 -0.09 0.77 -1.65 0.00 0.00 177.43 177.40 1ohq h SER 75 N 0.37 0.53 0.11 5.81 4.64 -1.97 -2.78 113.55 120.27 1ohq h SER 75 Ca 0.09 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1ohq h SER 75 Cb 0.25 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ohq h SER 75 CO 0.01 0.67 -0.29 0.29 -0.87 0.00 0.00 176.83 176.63 1ohq n LYS 76 N -4.21 1.13 -3.78 4.77 5.02 -0.93 -4.98 118.16 115.19 1ohq n LYS 76 Ca 0.01 -0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 55.24 1ohq n LYS 76 Cb 0.31 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1ohq n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ohq n ASN 77 N -0.24 -3.87 -4.03 4.39 5.15 -0.34 -4.81 115.26 111.51 1ohq n ASN 77 Ca 0.12 -0.74 -0.24 0.00 -0.60 0.00 0.00 54.58 53.11 1ohq n ASN 77 Cb 0.41 -4.18 -0.16 0.00 -0.53 0.00 0.00 39.78 35.31 1ohq n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ohq s THR 78 N -3.41 1.14 -0.06 -0.44 2.01 -1.03 -1.54 115.64 112.30 1ohq s THR 78 Ca 0.43 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1ohq s THR 78 Cb -0.21 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1ohq s THR 78 CO 0.80 0.35 0.29 -0.22 -0.69 0.00 0.00 174.62 175.16 1ohq s LEU 79 N 0.57 4.43 0.26 4.42 2.96 -0.41 -1.64 118.68 129.27 1ohq s LEU 79 Ca -0.13 0.73 0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1ohq s LEU 79 Cb -0.15 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1ohq s LEU 79 CO 0.03 0.34 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.92 1ohq s TYR 80 N -0.95 2.12 -0.31 5.38 2.02 -0.32 0.06 117.35 125.35 1ohq s TYR 80 Ca 0.20 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1ohq s TYR 80 Cb -0.15 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.58 1ohq s TYR 80 CO 0.09 0.61 0.15 -1.17 -1.57 0.00 0.00 175.55 173.66 1ohq s LEU 81 N -3.46 0.82 -0.43 -1.29 2.96 -0.80 -2.68 118.68 113.81 1ohq s LEU 81 Ca 0.28 -1.61 -0.28 0.00 -0.22 0.00 0.00 54.13 52.30 1ohq s LEU 81 Cb -0.03 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1ohq s LEU 81 CO 0.13 -0.40 1.52 -1.58 -1.32 0.00 0.00 176.35 174.70 1ohq s GLN 82 N 1.73 3.42 -0.46 1.98 2.00 -0.64 -2.44 119.66 125.26 1ohq s GLN 82 Ca 0.12 0.93 -0.12 0.00 -2.00 0.00 0.00 55.36 54.30 1ohq s GLN 82 Cb -0.18 -4.10 0.09 0.00 0.80 0.00 0.00 33.01 29.62 1ohq s GLN 82 CO -0.24 -1.76 0.34 -1.64 -0.50 0.00 0.00 175.29 171.49 1ohq s MET 83 N 5.31 2.72 0.37 1.67 -1.94 -0.21 -1.38 119.30 125.84 1ohq s MET 83 Ca 0.64 -1.52 0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1ohq s MET 83 Cb -0.15 -3.96 -0.01 0.00 2.01 0.00 0.00 34.83 32.71 1ohq s MET 83 CO 0.31 -1.07 0.41 -0.80 -0.01 0.00 0.00 175.02 173.86 1ohq s ASN 84 N 2.54 5.45 -1.59 3.03 0.02 -0.92 -2.12 114.94 121.36 1ohq s ASN 84 Ca 0.04 -0.48 -0.09 0.00 -1.02 0.00 0.00 52.86 51.31 1ohq s ASN 84 Cb -0.25 -0.86 0.08 0.00 0.02 0.00 0.00 41.25 40.24 1ohq s ASN 84 CO 0.03 -0.53 0.51 -1.20 0.02 0.00 0.00 177.10 175.93 1ohq n SER 85 N -1.58 -1.41 -4.75 -1.22 7.64 -1.04 -4.67 113.62 106.60 1ohq n SER 85 Ca 0.02 -1.07 -0.38 0.00 1.01 0.00 0.00 58.87 58.45 1ohq n SER 85 Cb 0.60 -2.59 0.04 0.00 -1.01 0.00 0.00 64.21 61.25 1ohq n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ohq s LEU 86 N -7.18 3.83 0.36 -3.43 1.43 -1.05 -4.56 118.68 108.07 1ohq s LEU 86 Ca 0.36 2.77 0.08 0.00 -1.03 0.00 0.00 54.13 56.30 1ohq s LEU 86 Cb -0.20 -4.30 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 1ohq s LEU 86 CO 0.93 -1.62 -0.03 -0.13 0.23 0.00 0.00 176.35 175.73 1ohq s ARG 87 N -2.95 1.82 0.44 1.70 0.52 -1.26 -0.96 118.95 118.25 1ohq s ARG 87 Ca 0.73 -1.98 0.12 0.00 -0.52 0.00 0.00 55.73 54.08 1ohq s ARG 87 Cb -0.40 -1.51 0.97 0.00 0.52 0.00 0.00 34.95 34.52 1ohq s ARG 87 CO 0.47 0.02 2.01 0.00 0.02 0.00 0.00 175.30 177.82 1ohq h ALA 88 N 1.97 1.70 0.00 2.13 0.00 -1.97 -2.61 119.26 120.48 1ohq h ALA 88 Ca -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ohq h ALA 88 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ohq h ALA 88 CO 0.74 0.23 0.00 -0.85 0.00 0.00 0.00 179.25 179.37 1ohq n GLU 89 N -4.37 0.17 0.13 0.00 0.28 -1.26 -2.75 120.64 112.84 1ohq n GLU 89 Ca -0.01 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.12 1ohq n GLU 89 Cb 0.20 -1.50 0.46 0.00 1.43 0.00 0.00 31.44 32.03 1ohq n GLU 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ohq h ASP 90 N 0.00 0.00 -1.27 -1.84 3.32 -1.85 -3.45 116.42 111.34 1ohq h ASP 90 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1ohq h ASP 90 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ohq h ASP 90 CO 0.00 0.00 1.37 0.41 -1.72 0.00 0.00 179.24 179.30 1ohq n THR 91 N -2.32 0.24 -3.65 0.35 -1.04 -1.11 -4.88 114.28 101.87 1ohq n THR 91 Ca 0.03 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1ohq n THR 91 Cb 0.32 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 1ohq n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ohq s ALA 92 N 6.91 -1.97 -0.33 2.41 0.00 -0.85 -4.74 121.76 123.19 1ohq s ALA 92 Ca 1.07 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1ohq s ALA 92 Cb -0.81 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1ohq s ALA 92 CO 0.49 -0.94 0.72 0.08 0.00 0.00 0.00 175.76 176.10 1ohq s VAL 93 N -2.80 4.84 -0.11 0.00 1.01 -0.38 -1.56 120.40 121.39 1ohq s VAL 93 Ca 0.12 0.93 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1ohq s VAL 93 Cb 0.01 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1ohq s VAL 93 CO -0.03 -0.26 0.33 -0.31 0.00 0.00 0.00 175.10 174.83 1ohq s TYR 94 N 2.84 3.54 -0.15 5.22 1.51 -0.27 -1.20 117.35 128.84 1ohq s TYR 94 Ca 0.29 0.72 0.02 0.00 -1.01 0.00 0.00 57.07 57.08 1ohq s TYR 94 Cb -0.14 -2.32 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1ohq s TYR 94 CO 0.14 0.37 -0.19 0.71 -1.11 0.00 0.00 175.55 175.46 1ohq s TYR 95 N -0.01 2.52 0.38 2.71 2.02 0.12 -1.07 117.35 124.03 1ohq s TYR 95 Ca 0.19 -1.36 -0.27 0.00 -0.37 0.00 0.00 57.07 55.26 1ohq s TYR 95 Cb -0.14 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.56 1ohq s TYR 95 CO 0.07 -0.66 1.42 0.00 -1.57 0.00 0.00 175.55 174.80 1ohq s ALA 97 N -1.15 -1.85 0.97 0.00 0.00 -0.48 -1.53 121.76 117.71 1ohq s ALA 97 Ca 0.54 2.37 -0.12 0.00 0.00 0.00 0.00 51.96 54.75 1ohq s ALA 97 Cb -0.44 -1.40 0.17 0.00 0.00 0.00 0.00 23.12 21.46 1ohq s ALA 97 CO 0.58 -0.37 1.11 -1.54 0.00 0.00 0.00 175.76 175.54 1ohq s SER 98 N 1.53 2.94 0.96 0.00 1.04 -1.07 -1.08 113.70 118.02 1ohq s SER 98 Ca -0.09 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 1ohq s SER 98 Cb -0.05 -1.70 0.17 0.00 0.10 0.00 0.00 66.02 64.54 1ohq s SER 98 CO -0.18 -2.92 1.10 0.00 0.98 0.00 0.00 173.24 172.22 1ohq s ALA 99 N -3.10 1.22 0.23 5.32 0.00 -0.94 -4.74 121.76 119.74 1ohq s ALA 99 Ca 0.65 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1ohq s ALA 99 Cb -0.17 -3.13 0.36 0.00 0.00 0.00 0.00 23.12 20.19 1ohq s ALA 99 CO 0.56 -2.63 1.75 1.25 0.00 0.00 0.00 175.76 176.69 1ohq h LEU 100 N -1.75 0.33 -7.74 0.00 6.46 -1.97 -3.29 115.31 107.36 1ohq h LEU 100 Ca -0.53 0.08 -0.69 0.00 -0.12 0.00 0.00 57.88 56.62 1ohq h LEU 100 Cb 1.32 0.04 -0.35 0.00 -0.73 0.00 0.00 40.66 40.94 1ohq h LEU 100 CO 0.57 0.17 -0.50 -0.70 -0.62 0.00 0.00 178.44 177.36 1ohq s GLU 101 N -6.05 2.15 0.93 1.25 2.12 -1.26 -3.78 118.70 114.06 1ohq s GLU 101 Ca -0.13 -2.05 -0.11 0.00 0.36 0.00 0.00 54.97 53.04 1ohq s GLU 101 Cb 0.19 -3.61 0.15 0.00 0.26 0.00 0.00 34.13 31.12 1ohq s GLU 101 CO 0.76 -1.10 1.10 -2.14 -0.54 0.00 0.00 175.26 173.34 1ohq s PRO 102 N 0.75 0.90 0.10 4.30 0.02 -1.24 -4.98 135.00 134.86 1ohq s PRO 102 Ca 0.11 1.20 -0.21 0.00 0.02 0.00 0.00 61.00 62.12 1ohq s PRO 102 Cb -0.22 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1ohq s PRO 102 CO -0.04 -2.59 1.72 1.25 -0.33 0.00 0.00 177.00 177.01 1ohq h LEU 103 N -1.82 0.19 0.00 -5.54 5.85 -1.95 -3.42 115.31 108.61 1ohq h LEU 103 Ca -0.48 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1ohq h LEU 103 Cb 1.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1ohq h LEU 103 CO 0.48 0.19 -0.62 -0.24 -0.34 0.00 0.00 178.44 177.91 1ohq n SER 104 N -4.95 1.35 -4.76 1.25 2.88 -1.26 -5.03 113.62 103.10 1ohq n SER 104 Ca -0.04 0.20 -0.39 0.00 -1.33 0.00 0.00 58.87 57.31 1ohq n SER 104 Cb 0.06 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.05 1ohq n SER 104 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ohq s GLU 105 N -2.35 3.71 0.33 -1.46 2.02 -1.26 -4.91 118.70 114.79 1ohq s GLU 105 Ca -0.13 2.16 0.05 0.00 0.02 0.00 0.00 54.97 57.08 1ohq s GLU 105 Cb 0.02 -2.58 0.58 0.00 0.10 0.00 0.00 34.13 32.25 1ohq s GLU 105 CO 0.18 -0.71 1.83 -1.00 0.02 0.00 0.00 175.26 175.58 1ohq h PRO 106 N 2.26 0.42 -6.86 0.39 0.13 -1.96 -3.38 132.00 123.01 1ohq h PRO 106 Ca -0.50 -0.12 -0.68 0.00 -0.87 0.00 0.00 66.00 63.83 1ohq h PRO 106 Cb 1.26 -0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1ohq h PRO 106 CO 0.61 0.56 -0.86 -1.17 -0.23 0.00 0.00 178.00 176.90 1ohq s LEU 107 N -8.81 2.33 0.85 1.56 2.96 -1.26 -4.79 118.68 111.52 1ohq s LEU 107 Ca -0.07 -0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 52.98 1ohq s LEU 107 Cb 0.15 -1.20 0.11 0.00 0.50 0.00 0.00 46.19 45.74 1ohq s LEU 107 CO 0.77 0.17 1.14 -0.83 -1.32 0.00 0.00 176.35 176.28 1ohq s GLY 108 N -2.10 1.80 0.18 7.98 0.00 -1.25 -4.78 107.32 109.15 1ohq s GLY 108 Ca 0.14 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.46 1ohq s GLY 108 CO 0.06 0.97 -0.01 -0.11 0.00 0.00 0.00 173.10 174.01 1ohq s PHE 109 N -2.60 1.30 0.07 1.90 -0.12 -1.26 -5.04 117.98 112.23 1ohq s PHE 109 Ca 0.67 -0.96 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1ohq s PHE 109 Cb -0.23 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.40 1ohq s PHE 109 CO 0.55 -0.13 -0.08 -1.58 -0.05 0.00 0.00 175.22 173.94 1ohq s TRP 110 N -3.55 0.81 0.00 3.49 0.52 -1.26 -2.61 118.94 116.34 1ohq s TRP 110 Ca 0.24 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.66 1ohq s TRP 110 Cb 0.05 -0.47 0.00 0.00 -1.15 0.00 0.00 33.47 31.90 1ohq s TRP 110 CO 0.05 -0.10 0.00 0.41 0.02 0.00 0.00 176.95 177.32 1ohq n GLY 111 N 0.72 -1.05 0.07 0.98 0.00 -0.58 -4.47 105.19 100.86 1ohq n GLY 111 Ca -0.17 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1ohq n GLY 111 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ohq h GLN 112 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -3.46 115.11 111.36 1ohq h GLN 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ohq h GLN 112 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1ohq h GLN 112 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.24 1ohq n GLY 113 N 1.32 0.48 2.81 0.06 0.00 -1.26 -5.08 105.19 103.52 1ohq n GLY 113 Ca 0.03 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 1ohq n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ohq s THR 114 N -0.49 0.79 -0.17 2.61 2.01 -0.23 -4.93 115.64 115.23 1ohq s THR 114 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1ohq s THR 114 Cb 0.00 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1ohq s THR 114 CO 0.00 -0.05 1.38 -0.22 -0.69 0.00 0.00 174.62 175.04 1ohq s LEU 115 N 1.75 4.13 -0.11 4.42 2.96 -1.26 -1.11 118.68 129.46 1ohq s LEU 115 Ca -0.00 1.71 -0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1ohq s LEU 115 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1ohq s LEU 115 CO -0.07 -0.89 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.35 1ohq s VAL 116 N 3.91 4.03 -0.01 1.68 1.01 -0.60 -2.38 120.40 128.03 1ohq s VAL 116 Ca 0.60 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ohq s VAL 116 Cb -0.23 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1ohq s VAL 116 CO 0.20 0.55 -0.03 -0.89 0.00 0.00 0.00 175.10 174.93 1ohq s THR 117 N -0.32 0.31 -0.25 3.92 2.01 -0.36 -2.01 115.64 118.93 1ohq s THR 117 Ca 0.06 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ohq s THR 117 Cb -0.12 -0.30 0.07 0.00 0.01 0.00 0.00 72.50 72.17 1ohq s THR 117 CO 0.02 0.11 0.02 -0.69 -0.69 0.00 0.00 174.62 173.39 1ohq s VAL 118 N 0.23 1.16 -0.01 3.82 1.01 -1.26 -1.59 120.40 123.76 1ohq s VAL 118 Ca -0.02 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1ohq s VAL 118 Cb -0.05 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1ohq s VAL 118 CO -0.00 -0.33 0.25 -0.94 0.00 0.00 0.00 175.10 174.08 1ohq s SER 119 N 1.53 -0.11 0.00 3.32 1.04 -0.92 -4.30 113.70 114.26 1ohq s SER 119 Ca 0.01 -0.03 0.27 0.00 0.48 0.00 0.00 55.95 56.68 1ohq s SER 119 Cb -0.18 0.28 1.60 0.00 0.10 0.00 0.00 66.02 67.82 1ohq s SER 119 CO -0.12 -0.43 1.95 -1.20 0.98 0.00 0.00 173.24 174.41