#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qqi s ALA 2 N 0.00 -2.62 -0.30 -5.12 0.00 -1.26 -5.12 121.76 107.35 1qqi s ALA 2 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1qqi s ALA 2 Cb 0.00 -2.05 0.19 0.00 0.00 0.00 0.00 23.12 21.26 1qqi s ALA 2 CO 0.00 -1.03 0.60 0.54 0.00 0.00 0.00 175.76 175.88 1qqi s VAL 3 N 2.62 -0.99 0.00 0.00 0.11 -1.26 -5.11 120.40 115.77 1qqi s VAL 3 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1qqi s VAL 3 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1qqi s VAL 3 CO -0.17 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 170.98 1qqi n GLU 4 N 5.43 0.00 -3.76 1.54 1.02 -1.26 -3.66 120.64 119.95 1qqi n GLU 4 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1qqi n GLU 4 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.83 1qqi n GLU 4 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1qqi s GLU 5 N 0.00 2.29 -0.46 3.49 -6.30 -1.26 -5.06 118.70 111.40 1qqi s GLU 5 Ca 0.00 -2.24 -0.25 0.00 -2.50 0.00 0.00 54.97 49.97 1qqi s GLU 5 Cb 0.00 -3.64 0.03 0.00 0.00 0.00 0.00 34.13 30.52 1qqi s GLU 5 CO 0.00 -1.13 0.93 0.08 0.02 0.00 0.00 175.26 175.16 1qqi s VAL 6 N 0.42 4.47 -0.68 3.70 1.01 -1.24 -4.43 120.40 123.64 1qqi s VAL 6 Ca 0.13 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.61 1qqi s VAL 6 Cb -0.22 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.77 1qqi s VAL 6 CO -0.04 -0.84 1.12 -0.63 0.00 0.00 0.00 175.10 174.71 1qqi s ILE 7 N 3.77 4.04 -0.58 2.22 1.01 0.01 -4.87 121.20 126.79 1qqi s ILE 7 Ca 0.37 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 1qqi s ILE 7 Cb -0.10 -4.78 0.11 0.00 0.01 0.00 0.00 42.46 37.70 1qqi s ILE 7 CO 0.26 -1.60 0.64 -1.61 0.00 0.00 0.00 174.94 172.63 1qqi s GLU 8 N 4.85 3.04 -0.13 2.79 2.02 -1.26 -0.78 118.70 129.23 1qqi s GLU 8 Ca 0.30 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1qqi s GLU 8 Cb -0.12 -4.29 0.02 0.00 0.10 0.00 0.00 34.13 29.84 1qqi s GLU 8 CO 0.14 -1.47 -0.13 -1.64 0.02 0.00 0.00 175.26 172.18 1qqi s MET 9 N 2.28 2.11 -1.80 1.61 -1.94 -0.97 -4.72 119.30 115.87 1qqi s MET 9 Ca 0.09 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1qqi s MET 9 Cb -0.26 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.64 1qqi s MET 9 CO 0.05 -0.20 0.00 0.94 -0.01 0.00 0.00 175.02 175.79 1qqi n GLN 10 N 4.67 -1.61 0.00 2.03 -0.06 -1.26 -0.76 117.38 120.40 1qqi n GLN 10 Ca -0.17 1.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.85 1qqi n GLN 10 Cb 0.50 -5.62 0.00 0.00 -4.06 0.00 0.00 30.24 21.06 1qqi n GLN 10 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qqi n GLY 11 N -0.95 2.54 3.55 1.69 0.00 -1.26 -4.93 105.19 105.82 1qqi n GLY 11 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1qqi n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qqi s LEU 12 N 0.00 3.39 -0.53 0.99 2.96 0.06 -0.60 118.68 124.95 1qqi s LEU 12 Ca 0.00 -0.88 -0.26 0.00 -0.22 0.00 0.00 54.13 52.77 1qqi s LEU 12 Cb 0.00 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.17 1qqi s LEU 12 CO 0.00 -1.68 1.02 -0.44 -1.32 0.00 0.00 176.35 173.93 1qqi s SER 13 N 4.19 6.43 -0.15 3.68 0.01 0.08 -2.29 113.70 125.65 1qqi s SER 13 Ca 0.38 -0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.50 1qqi s SER 13 Cb -0.05 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1qqi s SER 13 CO 0.05 -1.26 0.18 -0.22 0.41 0.00 0.00 173.24 172.40 1qqi s LEU 14 N 4.22 4.31 -0.33 2.44 0.20 0.04 -1.04 118.68 128.52 1qqi s LEU 14 Ca 0.37 0.42 0.04 0.00 0.69 0.00 0.00 54.13 55.65 1qqi s LEU 14 Cb -0.10 -2.16 0.09 0.00 -0.43 0.00 0.00 46.19 43.59 1qqi s LEU 14 CO 0.24 0.27 0.03 -0.62 -0.29 0.00 0.00 176.35 175.98 1qqi s ASP 15 N -0.30 4.71 0.58 3.68 2.15 0.32 -0.81 116.67 126.99 1qqi s ASP 15 Ca 0.13 -2.05 0.36 0.00 0.43 0.00 0.00 52.55 51.42 1qqi s ASP 15 Cb -0.12 -1.61 1.72 0.00 -0.30 0.00 0.00 42.92 42.62 1qqi s ASP 15 CO 0.02 -0.35 2.13 -0.65 -0.17 0.00 0.00 175.17 176.15 1qqi h PRO 16 N 7.64 0.00 0.37 4.34 0.11 -1.84 -0.05 132.00 142.57 1qqi h PRO 16 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1qqi h PRO 16 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1qqi h PRO 16 CO 0.51 0.03 -0.18 1.15 -0.21 0.00 0.00 178.00 179.31 1qqi h THR 17 N 0.00 0.40 -0.30 -1.15 2.02 -1.90 -3.30 112.91 108.67 1qqi h THR 17 Ca -0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1qqi h THR 17 Cb 0.31 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1qqi h THR 17 CO 0.00 0.08 0.00 -1.20 0.37 0.00 0.00 175.52 174.78 1qqi n SER 18 N -5.13 2.61 -3.80 4.18 7.64 -1.20 -4.95 113.62 112.98 1qqi n SER 18 Ca -0.09 -1.88 -0.27 0.00 1.01 0.00 0.00 58.87 57.65 1qqi n SER 18 Cb 0.27 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1qqi n SER 18 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1qqi n HIS 19 N 0.94 -1.80 -4.46 1.43 8.25 -0.08 -4.98 115.22 114.52 1qqi n HIS 19 Ca 0.18 0.66 -0.24 0.00 -0.26 0.00 0.00 57.72 58.06 1qqi n HIS 19 Cb 0.47 -3.78 -0.13 0.00 1.12 0.00 0.00 29.99 27.67 1qqi n HIS 19 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1qqi s ARG 20 N -6.21 1.19 -0.03 -0.41 3.52 -0.88 -4.97 118.95 111.15 1qqi s ARG 20 Ca 0.17 -0.96 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1qqi s ARG 20 Cb -0.06 -1.32 0.01 0.00 -1.56 0.00 0.00 34.95 32.02 1qqi s ARG 20 CO 0.86 0.32 -0.10 0.08 -0.81 0.00 0.00 175.30 175.66 1qqi s VAL 21 N -0.93 0.86 -0.15 7.11 1.01 -1.26 -0.53 120.40 126.52 1qqi s VAL 21 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1qqi s VAL 21 Cb -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1qqi s VAL 21 CO 0.02 0.27 -0.05 -0.04 0.00 0.00 0.00 175.10 175.31 1qqi s MET 22 N 0.31 1.33 -1.30 2.72 -1.94 -0.21 -0.56 119.30 119.65 1qqi s MET 22 Ca -0.06 -0.41 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 1qqi s MET 22 Cb -0.10 -1.85 0.04 0.00 2.01 0.00 0.00 34.83 34.93 1qqi s MET 22 CO 0.01 -0.41 1.84 0.00 -0.01 0.00 0.00 175.02 176.45 1qqi n ALA 23 N 4.92 3.65 0.00 3.03 0.00 -0.09 -0.74 120.51 131.29 1qqi n ALA 23 Ca -0.11 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1qqi n ALA 23 Cb 0.48 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1qqi n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qqi n GLY 24 N 5.23 1.67 0.03 0.00 0.00 0.23 -3.28 105.19 109.07 1qqi n GLY 24 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1qqi n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qqi n GLU 25 N 0.00 0.00 -1.71 1.61 2.13 -1.26 -4.99 120.64 116.42 1qqi n GLU 25 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1qqi n GLU 25 Cb 0.00 -0.10 -0.03 0.00 0.27 0.00 0.00 31.44 31.58 1qqi n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qqi s GLU 26 N -1.01 3.99 0.26 5.31 2.02 -1.21 -4.91 118.70 123.15 1qqi s GLU 26 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 54.97 57.16 1qqi s GLU 26 Cb 0.00 -4.17 -0.09 0.00 0.10 0.00 0.00 34.13 29.96 1qqi s GLU 26 CO 0.00 -1.12 1.26 -1.25 0.02 0.00 0.00 175.26 174.17 1qqi s PRO 27 N 4.70 4.44 -0.28 0.39 0.04 -1.26 -0.91 135.00 142.12 1qqi s PRO 27 Ca 0.88 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.99 1qqi s PRO 27 Cb -0.40 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.07 1qqi s PRO 27 CO 0.39 -0.12 -0.00 -0.51 0.04 0.00 0.00 177.00 176.80 1qqi s LEU 28 N -1.01 3.11 0.18 -3.56 1.43 0.27 -4.92 118.68 114.18 1qqi s LEU 28 Ca 0.51 -1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 1qqi s LEU 28 Cb -0.37 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1qqi s LEU 28 CO 0.44 -0.30 0.47 -1.61 0.23 0.00 0.00 176.35 175.57 1qqi s GLU 29 N 1.30 3.73 0.17 1.70 2.02 -1.26 -4.01 118.70 122.34 1qqi s GLU 29 Ca 0.01 0.13 -0.23 0.00 0.02 0.00 0.00 54.97 54.90 1qqi s GLU 29 Cb -0.19 -2.77 0.08 0.00 0.10 0.00 0.00 34.13 31.35 1qqi s GLU 29 CO -0.10 0.40 1.06 0.00 0.02 0.00 0.00 175.26 176.64 1qqi s MET 30 N -2.64 1.23 0.84 1.61 0.23 -1.26 -4.94 119.30 114.37 1qqi s MET 30 Ca 0.43 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 54.19 1qqi s MET 30 Cb -0.12 0.34 0.09 0.00 -1.53 0.00 0.00 34.83 33.62 1qqi s MET 30 CO 0.22 -0.58 1.09 0.20 -2.03 0.00 0.00 175.02 173.93 1qqi s GLY 31 N -3.45 1.65 0.22 3.16 0.00 -1.26 -4.84 107.32 102.79 1qqi s GLY 31 Ca 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 1qqi s GLY 31 CO 0.05 0.54 1.84 -0.56 0.00 0.00 0.00 173.10 174.96 1qqi h PRO 32 N -1.36 1.19 -0.54 2.90 0.13 -1.99 -1.39 132.00 130.95 1qqi h PRO 32 Ca -0.46 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1qqi h PRO 32 Cb 1.26 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1qqi h PRO 32 CO 0.53 0.89 0.32 1.15 -0.23 0.00 0.00 178.00 180.65 1qqi h THR 33 N 1.19 1.17 -0.76 1.56 2.02 -1.97 0.90 112.91 117.01 1qqi h THR 33 Ca 0.30 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1qqi h THR 33 Cb 0.05 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1qqi h THR 33 CO -0.05 0.17 0.43 -0.33 0.37 0.00 0.00 175.52 176.11 1qqi h GLU 34 N 0.72 1.06 -0.64 6.66 3.07 -1.76 -0.88 114.58 122.82 1qqi h GLU 34 Ca 0.19 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1qqi h GLU 34 Cb 0.00 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 1qqi h GLU 34 CO -0.03 0.78 0.31 0.35 -1.40 0.00 0.00 179.01 179.02 1qqi h PHE 35 N 1.05 0.91 0.04 4.33 3.57 -0.66 -2.15 116.94 124.03 1qqi h PHE 35 Ca 0.27 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1qqi h PHE 35 Cb 0.02 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1qqi h PHE 35 CO -0.00 0.68 -0.02 0.87 -2.23 0.00 0.00 178.31 177.61 1qqi h LYS 36 N 0.87 -0.05 -0.47 1.11 1.57 -0.22 0.10 116.57 119.49 1qqi h LYS 36 Ca 0.22 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 1qqi h LYS 36 Cb 0.10 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.33 1qqi h LYS 36 CO -0.03 -0.01 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.49 1qqi h LEU 37 N -0.08 -0.94 -0.19 2.94 3.38 -1.00 0.24 115.31 119.67 1qqi h LEU 37 Ca -0.01 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1qqi h LEU 37 Cb 0.06 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1qqi h LEU 37 CO 0.01 -0.28 0.11 0.25 0.09 0.00 0.00 178.44 178.61 1qqi h LEU 38 N -0.17 0.23 -0.34 1.67 5.85 -1.04 0.14 115.31 121.65 1qqi h LEU 38 Ca 0.21 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1qqi h LEU 38 Cb 0.51 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1qqi h LEU 38 CO -0.57 0.23 0.17 -0.74 -0.34 0.00 0.00 178.44 177.19 1qqi h HIS 39 N 0.21 0.32 -0.71 1.25 2.76 -0.17 0.11 115.15 118.92 1qqi h HIS 39 Ca 0.07 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1qqi h HIS 39 Cb 0.05 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1qqi h HIS 39 CO -0.04 0.18 0.35 0.35 -1.30 0.00 0.00 177.93 177.46 1qqi h PHE 40 N 0.36 1.01 -0.71 5.26 3.57 -0.33 -1.13 116.94 124.98 1qqi h PHE 40 Ca 0.14 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1qqi h PHE 40 Cb 0.04 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1qqi h PHE 40 CO -0.09 0.74 0.31 0.74 -2.23 0.00 0.00 178.31 177.78 1qqi h PHE 41 N 0.98 1.03 -0.35 0.41 0.04 -0.09 -1.68 116.94 117.29 1qqi h PHE 41 Ca 0.24 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 1qqi h PHE 41 Cb 0.10 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1qqi h PHE 41 CO 0.00 0.76 -0.18 0.52 -0.60 0.00 0.00 178.31 178.82 1qqi h MET 42 N 1.01 0.73 0.00 1.51 2.86 -0.23 -2.50 114.93 118.32 1qqi h MET 42 Ca 0.24 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1qqi h MET 42 Cb 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1qqi h MET 42 CO -0.03 0.93 0.00 0.25 1.06 0.00 0.00 176.91 179.13 1qqi n THR 43 N -4.31 0.80 -3.22 2.22 -2.24 -0.48 -3.86 114.28 103.19 1qqi n THR 43 Ca -0.02 0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.68 1qqi n THR 43 Cb 0.41 -0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 1qqi n THR 43 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qqi n HIS 44 N -1.89 -0.31 -1.90 4.78 8.25 -0.65 -5.09 115.22 118.41 1qqi n HIS 44 Ca 0.03 -3.55 -0.32 0.00 -0.26 0.00 0.00 57.72 53.62 1qqi n HIS 44 Cb 0.24 -0.30 0.02 0.00 1.12 0.00 0.00 29.99 31.08 1qqi n HIS 44 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1qqi s PRO 45 N -1.09 3.14 -0.99 -0.41 0.04 -0.98 -4.15 135.00 130.56 1qqi s PRO 45 Ca 0.35 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1qqi s PRO 45 Cb 0.16 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1qqi s PRO 45 CO -0.12 -0.95 0.66 0.39 0.04 0.00 0.00 177.00 177.02 1qqi n GLU 46 N -2.30 -1.06 -3.67 4.56 -0.58 -0.46 -4.97 120.64 112.17 1qqi n GLU 46 Ca 0.09 0.55 -0.08 0.00 -0.42 0.00 0.00 57.16 57.30 1qqi n GLU 46 Cb 0.53 -2.85 -0.09 0.00 -0.57 0.00 0.00 31.44 28.46 1qqi n GLU 46 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1qqi s ARG 47 N -5.75 0.38 0.02 3.49 3.52 -1.26 -5.01 118.95 114.34 1qqi s ARG 47 Ca 0.22 1.02 -0.30 0.00 -0.13 0.00 0.00 55.73 56.54 1qqi s ARG 47 Cb -0.11 0.28 -0.06 0.00 -1.56 0.00 0.00 34.95 33.50 1qqi s ARG 47 CO 0.91 -0.22 1.39 0.08 -0.81 0.00 0.00 175.30 176.65 1qqi s VAL 48 N 2.29 3.66 -0.09 7.11 1.01 -1.26 -4.43 120.40 128.68 1qqi s VAL 48 Ca -0.04 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1qqi s VAL 48 Cb -0.11 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1qqi s VAL 48 CO -0.14 0.02 -0.16 -0.31 0.00 0.00 0.00 175.10 174.51 1qqi s TYR 49 N 2.10 1.92 0.71 5.22 2.02 -0.20 -4.95 117.35 124.16 1qqi s TYR 49 Ca 0.64 -0.80 -0.09 0.00 -0.37 0.00 0.00 57.07 56.45 1qqi s TYR 49 Cb -0.32 -1.35 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1qqi s TYR 49 CO 0.27 -0.38 1.05 -1.54 -1.57 0.00 0.00 175.55 173.38 1qqi s SER 50 N 0.69 5.04 0.17 2.29 1.04 -1.26 -0.27 113.70 121.40 1qqi s SER 50 Ca -0.13 0.73 -0.14 0.00 0.48 0.00 0.00 55.95 56.89 1qqi s SER 50 Cb -0.16 -1.45 0.11 0.00 0.10 0.00 0.00 66.02 64.63 1qqi s SER 50 CO 0.03 -1.51 1.76 0.03 0.98 0.00 0.00 173.24 174.54 1qqi h ARG 51 N -0.63 0.36 -0.78 4.02 3.08 -1.94 -1.87 114.38 116.62 1qqi h ARG 51 Ca -0.45 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 59.70 1qqi h ARG 51 Cb 1.29 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 1qqi h ARG 51 CO 0.63 0.24 0.38 0.93 -1.07 0.00 0.00 179.97 181.08 1qqi h GLU 52 N 0.37 0.58 0.16 0.04 5.08 -1.93 0.11 114.58 118.98 1qqi h GLU 52 Ca 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1qqi h GLU 52 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qqi h GLU 52 CO -0.18 0.38 -0.07 1.96 -1.00 0.00 0.00 179.01 180.09 1qqi h GLN 53 N 0.59 -0.20 -0.53 2.33 1.08 -1.73 -0.06 115.11 116.59 1qqi h GLN 53 Ca 0.41 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.68 1qqi h GLN 53 Cb 0.53 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1qqi h GLN 53 CO -0.33 0.06 0.24 -0.07 -0.95 0.00 0.00 178.83 177.78 1qqi h LEU 54 N -0.45 0.31 -0.89 1.46 3.38 -0.90 -0.66 115.31 117.54 1qqi h LEU 54 Ca -0.02 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1qqi h LEU 54 Cb 0.36 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1qqi h LEU 54 CO 0.03 0.21 0.58 -0.07 0.09 0.00 0.00 178.44 179.28 1qqi h LEU 55 N 0.46 0.97 0.00 1.67 3.38 -0.65 0.41 115.31 121.56 1qqi h LEU 55 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1qqi h LEU 55 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qqi h LEU 55 CO -0.21 0.67 0.00 0.59 0.09 0.00 0.00 178.44 179.59 1qqi n ASN 56 N -4.51 0.00 0.00 -0.43 3.02 -0.05 -0.25 115.26 113.04 1qqi n ASN 56 Ca 0.11 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1qqi n ASN 56 Cb 0.08 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1qqi n ASN 56 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qqi n HIS 57 N -1.23 0.00 0.15 3.10 8.25 -0.38 -4.33 115.22 120.78 1qqi n HIS 57 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 1qqi n HIS 57 Cb 0.18 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 1qqi n HIS 57 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1qqi h VAL 58 N 0.00 0.75 0.00 1.59 2.07 -0.42 -3.00 116.25 117.24 1qqi h VAL 58 Ca 0.00 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1qqi h VAL 58 Cb 0.00 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1qqi h VAL 58 CO 0.00 0.09 -0.42 -0.50 0.02 0.00 0.00 177.57 176.77 1qqi h TRP 59 N -0.62 0.00 -3.98 1.57 6.55 -1.49 -3.47 115.95 114.50 1qqi h TRP 59 Ca -0.04 0.00 -0.39 0.00 0.95 0.00 0.00 58.89 59.41 1qqi h TRP 59 Cb 0.45 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1qqi h TRP 59 CO 0.00 0.42 -0.55 0.41 -1.05 0.00 0.00 178.44 177.67 1qqi n GLY 60 N 0.73 -0.51 4.00 1.49 0.00 0.65 -1.80 105.19 109.75 1qqi n GLY 60 Ca 0.01 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1qqi n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qqi n THR 61 N -4.16 -0.46 -0.09 2.61 -2.24 -0.33 -4.81 114.28 104.80 1qqi n THR 61 Ca -0.16 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 1qqi n THR 61 Cb 0.64 -1.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1qqi n THR 61 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1qqi h ASN 62 N -0.96 0.74 -4.32 3.42 -1.24 -1.65 -3.43 115.58 108.13 1qqi h ASN 62 Ca -0.49 -0.22 -0.27 0.00 0.71 0.00 0.00 56.30 56.03 1qqi h ASN 62 Cb 1.32 -0.20 -0.25 0.00 0.73 0.00 0.00 38.32 39.92 1qqi h ASN 62 CO 0.69 0.87 -0.73 0.68 -1.29 0.00 0.00 177.43 177.65 1qqi s VAL 63 N -4.80 0.35 -1.34 2.57 -7.23 -1.26 -5.07 120.40 103.62 1qqi s VAL 63 Ca -0.09 -0.58 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 1qqi s VAL 63 Cb 0.14 -0.37 0.02 0.00 0.56 0.00 0.00 36.38 36.73 1qqi s VAL 63 CO 0.82 -0.16 2.08 0.00 -0.31 0.00 0.00 175.10 177.53 1qqi n TYR 64 N 2.27 3.58 -2.11 2.82 9.36 -1.26 -4.95 117.16 126.88 1qqi n TYR 64 Ca -0.18 -2.78 -0.30 0.00 3.32 0.00 0.00 57.90 57.97 1qqi n TYR 64 Cb 0.57 -2.49 0.01 0.00 -0.63 0.00 0.00 39.34 36.79 1qqi n TYR 64 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1qqi s VAL 65 N 3.86 4.77 0.65 2.97 -7.23 -1.26 -5.06 120.40 119.11 1qqi s VAL 65 Ca 0.50 0.69 -0.13 0.00 -1.81 0.00 0.00 61.98 61.23 1qqi s VAL 65 Cb 0.11 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 1qqi s VAL 65 CO -0.02 -1.05 1.06 -1.61 -0.31 0.00 0.00 175.10 173.17 1qqi s GLU 66 N -5.02 3.05 0.38 4.82 2.02 -1.26 -4.94 118.70 117.74 1qqi s GLU 66 Ca 0.53 1.10 0.07 0.00 0.02 0.00 0.00 54.97 56.69 1qqi s GLU 66 Cb -0.11 -2.00 0.78 0.00 0.10 0.00 0.00 34.13 32.91 1qqi s GLU 66 CO 0.51 -1.02 1.97 -0.44 0.02 0.00 0.00 175.26 176.30 1qqi h ASP 67 N -0.21 0.61 -0.82 -0.19 5.19 -1.99 -1.31 116.42 117.71 1qqi h ASP 67 Ca -0.45 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1qqi h ASP 67 Cb 1.22 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 1qqi h ASP 67 CO 0.56 0.40 0.53 -0.09 -3.12 0.00 0.00 179.24 177.53 1qqi h ARG 68 N 0.70 0.65 -0.60 3.56 2.43 -2.01 -1.00 114.38 118.10 1qqi h ARG 68 Ca 0.29 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.51 1qqi h ARG 68 Cb 0.24 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1qqi h ARG 68 CO -0.09 0.43 0.40 1.15 -1.51 0.00 0.00 179.97 180.35 1qqi h THR 69 N 0.67 0.90 -0.20 0.20 2.02 -1.60 -0.66 112.91 114.24 1qqi h THR 69 Ca 0.39 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1qqi h THR 69 Cb 0.60 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1qqi h THR 69 CO -0.16 0.08 0.08 0.58 0.37 0.00 0.00 175.52 176.47 1qqi h VAL 70 N 0.42 1.15 -0.77 3.16 2.07 -1.30 -1.95 116.25 119.04 1qqi h VAL 70 Ca 0.28 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1qqi h VAL 70 Cb 0.53 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1qqi h VAL 70 CO -0.08 0.15 0.51 0.44 0.02 0.00 0.00 177.57 178.61 1qqi h ASP 71 N 0.17 0.88 0.48 0.57 3.32 -1.22 0.94 116.42 121.56 1qqi h ASP 71 Ca 0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1qqi h ASP 71 Cb 0.16 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1qqi h ASP 71 CO -0.01 0.63 -0.23 0.58 -1.72 0.00 0.00 179.24 178.50 1qqi h VAL 72 N 1.04 0.53 -0.29 -1.35 2.07 -0.83 0.14 116.25 117.56 1qqi h VAL 72 Ca 0.28 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.71 1qqi h VAL 72 Cb -0.12 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1qqi h VAL 72 CO -0.06 0.00 -0.19 0.45 0.02 0.00 0.00 177.57 177.79 1qqi h HIS 73 N -0.65 0.59 -0.69 1.57 3.86 -1.11 -1.65 115.15 117.07 1qqi h HIS 73 Ca -0.07 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 1qqi h HIS 73 Cb 0.50 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1qqi h HIS 73 CO -0.04 0.69 0.33 0.82 0.86 0.00 0.00 177.93 180.59 1qqi h ILE 74 N 0.48 1.23 -0.75 2.45 1.08 -0.61 0.18 117.51 121.57 1qqi h ILE 74 Ca 0.08 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1qqi h ILE 74 Cb 0.60 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1qqi h ILE 74 CO 0.04 0.27 0.36 -0.09 -0.69 0.00 0.00 178.15 178.04 1qqi h ARG 75 N 0.97 1.08 -0.14 2.37 2.43 -0.24 0.48 114.38 121.33 1qqi h ARG 75 Ca 0.24 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1qqi h ARG 75 Cb 0.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1qqi h ARG 75 CO -0.03 0.85 0.08 0.00 -1.51 0.00 0.00 179.97 179.36 1qqi h ARG 76 N 1.06 0.19 0.01 0.20 3.08 -0.76 0.89 114.38 119.03 1qqi h ARG 76 Ca 0.26 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1qqi h ARG 76 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1qqi h ARG 76 CO -0.03 0.19 -0.08 1.25 -1.07 0.00 0.00 179.97 180.23 1qqi h LEU 77 N 0.13 -0.23 -0.48 3.04 5.85 -0.62 0.70 115.31 123.70 1qqi h LEU 77 Ca 0.05 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1qqi h LEU 77 Cb 0.06 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1qqi h LEU 77 CO -0.01 -0.12 0.28 0.03 -0.34 0.00 0.00 178.44 178.28 1qqi h ARG 78 N -0.14 0.54 -0.56 1.25 3.08 -0.77 -1.48 114.38 116.30 1qqi h ARG 78 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1qqi h ARG 78 Cb 0.18 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1qqi h ARG 78 CO -0.08 0.36 0.27 -0.22 -1.07 0.00 0.00 179.97 179.23 1qqi h LYS 79 N 0.55 0.78 0.00 0.04 3.64 -0.44 0.88 116.57 122.02 1qqi h LYS 79 Ca 0.20 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1qqi h LYS 79 Cb 0.04 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1qqi h LYS 79 CO -0.10 0.61 -0.15 0.00 -2.27 0.00 0.00 179.45 177.53 1qqi h ALA 80 N 1.51 1.21 -0.02 5.00 0.00 0.10 -1.72 119.26 125.35 1qqi h ALA 80 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qqi h ALA 80 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qqi h ALA 80 CO -0.03 0.19 -0.22 1.28 0.00 0.00 0.00 179.25 180.47 1qqi n LEU 81 N -3.58 2.16 -0.21 0.00 4.77 -0.12 -4.45 117.00 115.57 1qqi n LEU 81 Ca -0.01 -0.74 -0.06 0.00 -0.03 0.00 0.00 56.01 55.17 1qqi n LEU 81 Cb 0.29 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1qqi n LEU 81 CO 0.31 0.38 1.12 -0.08 -1.33 0.00 0.00 177.39 177.78 1qqi h GLU 82 N 3.04 0.76 -0.34 3.23 4.81 0.05 0.11 114.58 126.24 1qqi h GLU 82 Ca 0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1qqi h GLU 82 Cb 0.77 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1qqi h GLU 82 CO 0.00 0.50 0.16 -1.35 -0.73 0.00 0.00 179.01 177.60 1qqi h PRO 83 N 0.78 0.33 0.00 0.92 0.11 -1.78 -0.73 132.00 131.63 1qqi h PRO 83 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1qqi h PRO 83 Cb -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1qqi h PRO 83 CO -0.06 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 178.36 1qqi n GLY 84 N -1.20 -1.39 2.37 -0.55 0.00 -1.13 -4.89 105.19 98.39 1qqi n GLY 84 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1qqi n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qqi n GLY 85 N 1.11 1.08 0.03 -0.02 0.00 0.18 -4.87 105.19 102.70 1qqi n GLY 85 Ca 0.06 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1qqi n GLY 85 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qqi n HIS 86 N -2.63 0.00 -0.05 1.61 8.25 -0.11 -3.88 115.22 118.41 1qqi n HIS 86 Ca -0.09 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.59 1qqi n HIS 86 Cb 0.36 -0.33 0.70 0.00 1.12 0.00 0.00 29.99 31.84 1qqi n HIS 86 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1qqi h ASP 87 N 0.17 0.01 -0.27 0.41 3.04 -1.75 -0.23 116.42 117.80 1qqi h ASP 87 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.83 1qqi h ASP 87 Cb 0.45 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.72 1qqi h ASP 87 CO 0.00 0.00 0.18 0.03 -2.04 0.00 0.00 179.24 177.42 1qqi h ARG 88 N 0.01 0.18 -0.72 4.15 3.08 -1.91 -1.73 114.38 117.45 1qqi h ARG 88 Ca 0.30 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.36 1qqi h ARG 88 Cb 1.21 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1qqi h ARG 88 CO -0.01 0.12 0.47 0.52 -1.07 0.00 0.00 179.97 180.00 1qqi h MET 89 N 0.19 0.91 -6.10 0.04 2.86 -1.25 -3.31 114.93 108.27 1qqi h MET 89 Ca 0.12 -0.05 -0.59 0.00 -2.06 0.00 0.00 59.70 57.11 1qqi h MET 89 Cb 0.23 -0.20 -0.10 0.00 0.06 0.00 0.00 31.60 31.59 1qqi h MET 89 CO -0.02 0.60 1.46 0.08 1.06 0.00 0.00 176.91 180.09 1qqi s VAL 90 N -6.13 3.90 0.03 -2.22 1.01 -0.65 -0.63 120.40 115.72 1qqi s VAL 90 Ca -0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1qqi s VAL 90 Cb 0.15 -5.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 1qqi s VAL 90 CO 0.77 -1.90 0.99 -1.10 0.00 0.00 0.00 175.10 173.86 1qqi s GLN 91 N 5.07 4.59 -0.63 2.72 -0.21 0.51 -4.90 119.66 126.80 1qqi s GLN 91 Ca 0.47 1.45 -0.18 0.00 0.02 0.00 0.00 55.36 57.11 1qqi s GLN 91 Cb -0.00 -3.43 0.12 0.00 1.00 0.00 0.00 33.01 30.69 1qqi s GLN 91 CO -0.09 0.00 0.74 0.99 -2.12 0.00 0.00 175.29 174.81 1qqi s THR 92 N 0.76 4.88 -1.29 -0.19 2.01 -1.26 -1.94 115.64 118.60 1qqi s THR 92 Ca 0.51 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 1qqi s THR 92 Cb -0.22 -4.51 0.02 0.00 0.01 0.00 0.00 72.50 67.80 1qqi s THR 92 CO 0.29 -1.14 1.96 0.52 -0.69 0.00 0.00 174.62 175.55 1qqi n VAL 93 N 5.41 3.33 -1.95 3.82 0.31 -0.17 -4.90 118.33 124.18 1qqi n VAL 93 Ca -0.05 -3.22 0.00 0.00 -0.01 0.00 0.00 64.34 61.05 1qqi n VAL 93 Cb 0.43 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1qqi n VAL 93 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qqi n ARG 94 N 7.42 0.00 -0.81 5.55 1.74 -1.26 -1.22 116.66 128.08 1qqi n ARG 94 Ca 0.50 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.63 1qqi n ARG 94 Cb 0.43 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.22 1qqi n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qqi n GLY 95 N 0.00 3.42 0.10 -0.13 0.00 -1.26 -4.48 105.19 102.84 1qqi n GLY 95 Ca 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 1qqi n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qqi n THR 96 N 0.17 1.51 -2.23 2.61 -1.04 -0.36 -4.96 114.28 109.98 1qqi n THR 96 Ca 0.29 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1qqi n THR 96 Cb 1.16 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1qqi n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qqi n GLY 97 N 1.45 1.83 3.39 3.41 0.00 -0.98 -4.06 105.19 110.24 1qqi n GLY 97 Ca -0.29 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1qqi n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qqi s TYR 98 N -1.97 1.36 -0.19 1.61 1.51 0.63 -1.00 117.35 119.31 1qqi s TYR 98 Ca 0.00 -1.46 -0.29 0.00 -1.01 0.00 0.00 57.07 54.32 1qqi s TYR 98 Cb 0.00 -0.37 0.12 0.00 -0.11 0.00 0.00 41.96 41.60 1qqi s TYR 98 CO 0.00 -1.01 0.97 0.50 -1.11 0.00 0.00 175.55 174.90 1qqi s ARG 99 N -3.26 0.62 -0.76 -0.62 3.52 -0.82 -1.03 118.95 116.60 1qqi s ARG 99 Ca 0.35 0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 56.15 1qqi s ARG 99 Cb 0.01 0.30 0.20 0.00 -1.56 0.00 0.00 34.95 33.89 1qqi s ARG 99 CO 0.23 -0.16 0.67 0.12 -0.81 0.00 0.00 175.30 175.35 1qqi s PHE 100 N -0.69 3.65 -0.78 5.12 5.36 -1.26 -0.36 117.98 129.02 1qqi s PHE 100 Ca -0.01 -2.11 -0.17 0.00 -0.96 0.00 0.00 56.93 53.68 1qqi s PHE 100 Cb -0.02 -3.67 0.15 0.00 -0.34 0.00 0.00 43.02 39.14 1qqi s PHE 100 CO 0.00 -0.96 0.87 0.45 -1.46 0.00 0.00 175.22 174.12 1qqi s SER 101 N 1.94 6.52 -0.03 6.13 0.15 0.20 -1.35 113.70 127.26 1qqi s SER 101 Ca 0.16 -2.05 -0.08 0.00 0.70 0.00 0.00 55.95 54.68 1qqi s SER 101 Cb -0.14 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1qqi s SER 101 CO -0.07 -0.92 0.44 0.71 1.20 0.00 0.00 173.24 174.60 1qqi h THR 102 N 5.52 0.00 0.00 6.45 1.35 -1.95 -3.40 112.91 120.88 1qqi h THR 102 Ca -0.01 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1qqi h THR 102 Cb 1.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1qqi h THR 102 CO 0.99 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 175.12 1qqi n ARG 103 N -4.09 0.00 -0.58 4.72 3.00 -1.26 -5.02 116.66 113.43 1qqi n ARG 103 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1qqi n ARG 103 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1qqi n ARG 103 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97