#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dql s LYS 2 N 0.00 1.23 0.28 3.17 2.47 -1.26 -5.04 119.74 120.58 2dql s LYS 2 Ca 0.00 -1.50 -0.01 0.00 -1.56 0.00 0.00 55.97 52.91 2dql s LYS 2 Cb 0.00 -1.01 0.48 0.00 -1.46 0.00 0.00 37.83 35.84 2dql s LYS 2 CO 0.00 0.17 1.86 0.82 0.16 0.00 0.00 175.35 178.36 2dql h ILE 3 N 2.80 1.01 -0.16 5.43 1.08 -2.06 -1.20 117.51 124.41 2dql h ILE 3 Ca -0.38 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 2dql h ILE 3 Cb 1.21 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 2dql h ILE 3 CO 0.60 0.20 0.04 -0.08 -0.69 0.00 0.00 178.15 178.21 2dql h GLU 4 N 1.09 0.22 -0.08 2.37 4.57 -2.00 -1.09 114.58 119.67 2dql h GLU 4 Ca 0.46 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.56 2dql h GLU 4 Cb 0.32 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2dql h GLU 4 CO -0.21 0.21 -0.21 -0.44 -1.18 0.00 0.00 179.01 177.18 2dql h ASP 5 N 0.22 0.12 -0.11 1.04 3.32 -1.63 0.30 116.42 119.69 2dql h ASP 5 Ca 0.06 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2dql h ASP 5 Cb 0.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2dql h ASP 5 CO -0.00 0.34 -0.07 0.40 -1.72 0.00 0.00 179.24 178.19 2dql h ILE 6 N 0.12 1.33 -0.86 0.35 2.04 -1.15 -1.83 117.51 117.52 2dql h ILE 6 Ca 0.02 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2dql h ILE 6 Cb 0.45 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2dql h ILE 6 CO 0.03 0.32 0.49 1.88 0.00 0.00 0.00 178.15 180.88 2dql h TYR 7 N -0.14 1.16 -0.69 1.37 0.05 -1.17 -2.56 116.97 115.00 2dql h TYR 7 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2dql h TYR 7 Cb 0.55 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2dql h TYR 7 CO 0.07 0.79 0.40 1.96 -1.05 0.00 0.00 178.16 180.33 2dql h GLN 8 N 1.19 0.94 -0.97 4.88 1.08 -0.83 -1.36 115.11 120.04 2dql h GLN 8 Ca 0.31 -0.09 0.06 0.00 -1.45 0.00 0.00 58.65 57.47 2dql h GLN 8 Cb -0.01 -0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 27.16 2dql h GLN 8 CO -0.05 0.67 0.63 0.35 -0.95 0.00 0.00 178.83 179.47 2dql h PHE 9 N 0.95 1.16 0.20 2.96 3.57 -0.90 0.93 116.94 125.81 2dql h PHE 9 Ca 0.25 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.44 2dql h PHE 9 Cb -0.02 -0.38 0.02 0.00 2.79 0.00 0.00 35.95 38.36 2dql h PHE 9 CO 0.00 0.63 -1.62 0.74 -2.23 0.00 0.00 178.31 175.83 2dql h PHE 10 N 1.16 0.75 -0.00 0.41 0.04 -1.44 -3.15 116.94 114.70 2dql h PHE 10 Ca 0.41 -0.55 -0.19 0.00 2.80 0.00 0.00 57.97 60.43 2dql h PHE 10 Cb 0.12 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2dql h PHE 10 CO -0.00 1.59 -0.86 0.93 -0.60 0.00 0.00 178.31 179.37 2dql h GLU 11 N 0.11 0.20 -2.35 1.51 5.08 -1.13 -3.38 114.58 114.63 2dql h GLU 11 Ca -0.30 -0.22 -0.59 0.00 -1.00 0.00 0.00 59.36 57.26 2dql h GLU 11 Cb 2.11 0.06 -0.39 0.00 0.50 0.00 0.00 28.75 31.03 2dql h GLU 11 CO 0.21 0.94 -0.94 0.09 -1.00 0.00 0.00 179.01 178.31 2dql n ASN 12 N -3.68 0.32 -4.59 1.42 5.03 0.31 -5.08 115.26 109.00 2dql n ASN 12 Ca -0.04 -2.61 -0.55 0.00 0.87 0.00 0.00 54.58 52.26 2dql n ASN 12 Cb 0.79 -0.60 -0.07 0.00 -1.02 0.00 0.00 39.78 38.88 2dql n ASN 12 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2dql n PRO 13 N 2.28 0.83 -1.71 3.52 -0.02 -1.19 -4.58 135.00 134.13 2dql n PRO 13 Ca 0.27 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 2dql n PRO 13 Cb 0.47 -1.91 0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2dql n PRO 13 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dql s PRO 14 N 0.81 2.83 0.77 0.52 0.04 -1.26 -4.99 135.00 133.72 2dql s PRO 14 Ca 0.88 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2dql s PRO 14 Cb -1.06 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 31.58 2dql s PRO 14 CO 0.53 -1.21 1.19 -1.25 0.04 0.00 0.00 177.00 176.30 2dql s PRO 15 N -4.34 1.91 -0.17 0.56 0.04 -1.26 -4.97 135.00 126.77 2dql s PRO 15 Ca 0.64 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 63.16 2dql s PRO 15 Cb -0.18 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dql s PRO 15 CO 0.45 -1.99 0.59 0.99 0.04 0.00 0.00 177.00 177.07 2dql s THR 16 N -2.17 5.07 -0.13 1.26 2.01 0.35 -4.84 115.64 117.19 2dql s THR 16 Ca 0.72 1.12 -0.22 0.00 0.31 0.00 0.00 61.69 63.62 2dql s THR 16 Cb -0.27 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2dql s THR 16 CO 0.48 0.18 0.66 -0.31 -0.69 0.00 0.00 174.62 174.95 2dql s TYR 17 N 1.47 3.48 0.47 4.92 1.51 -1.26 -0.97 117.35 126.96 2dql s TYR 17 Ca 0.28 1.09 -0.24 0.00 -1.01 0.00 0.00 57.07 57.19 2dql s TYR 17 Cb -0.16 -2.79 -0.07 0.00 -0.11 0.00 0.00 41.96 38.83 2dql s TYR 17 CO 0.11 -0.03 1.33 -0.51 -1.11 0.00 0.00 175.55 175.34 2dql s LEU 18 N 1.33 4.05 0.60 -1.29 1.43 -0.47 -4.94 118.68 119.39 2dql s LEU 18 Ca 0.33 2.70 -0.00 0.00 -1.03 0.00 0.00 54.13 56.12 2dql s LEU 18 Cb -0.17 -4.07 0.05 0.00 0.03 0.00 0.00 46.19 42.03 2dql s LEU 18 CO 0.14 -1.15 0.84 0.00 0.23 0.00 0.00 176.35 176.41 2dql h GLN 20 N -0.12 0.16 -0.70 0.00 4.15 -1.96 -0.47 115.11 116.17 2dql h GLN 20 Ca -0.42 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.06 2dql h GLN 20 Cb 1.30 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.89 2dql h GLN 20 CO 0.52 0.11 0.39 0.93 -1.93 0.00 0.00 178.83 178.85 2dql h GLU 21 N 0.17 0.68 -0.14 1.69 3.07 -1.98 -0.57 114.58 117.50 2dql h GLU 21 Ca 0.21 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 2dql h GLU 21 Cb 0.28 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2dql h GLU 21 CO -0.31 0.45 -0.62 0.28 -1.40 0.00 0.00 179.01 177.42 2dql h VAL 22 N 0.70 1.32 -0.76 3.13 2.07 -1.87 -3.17 116.25 117.66 2dql h VAL 22 Ca 0.32 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 65.98 2dql h VAL 22 Cb 0.22 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2dql h VAL 22 CO -0.20 0.58 0.51 0.00 0.02 0.00 0.00 177.57 178.48 2dql h ALA 23 N 0.53 1.47 -0.49 1.67 0.00 -0.70 -0.66 119.26 121.08 2dql h ALA 23 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dql h ALA 23 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2dql h ALA 23 CO 0.13 0.49 0.32 0.82 0.00 0.00 0.00 179.25 181.01 2dql h ILE 24 N 1.02 1.13 -0.48 0.00 2.04 -1.12 0.13 117.51 120.24 2dql h ILE 24 Ca 0.28 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.75 2dql h ILE 24 Cb -0.10 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2dql h ILE 24 CO -0.06 0.13 -0.20 0.00 0.00 0.00 0.00 178.15 178.02 2dql h TYR 26 N 0.84 0.44 -0.56 0.00 3.20 -0.82 -0.77 116.97 119.29 2dql h TYR 26 Ca 0.11 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2dql h TYR 26 Cb 0.77 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 2dql h TYR 26 CO 0.05 0.39 0.36 0.82 -1.64 0.00 0.00 178.16 178.14 2dql h ILE 27 N 0.36 1.11 -0.50 1.81 2.04 -0.65 -1.49 117.51 120.21 2dql h ILE 27 Ca 0.11 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2dql h ILE 27 Cb 0.11 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2dql h ILE 27 CO -0.01 0.13 0.05 -0.07 0.00 0.00 0.00 178.15 178.25 2dql h LEU 28 N 0.73 0.76 -0.52 1.44 3.38 -1.20 0.02 115.31 119.92 2dql h LEU 28 Ca 0.22 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2dql h LEU 28 Cb -0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2dql h LEU 28 CO -0.07 0.79 0.25 0.22 0.09 0.00 0.00 178.44 179.73 2dql h TYR 29 N 0.76 0.46 -0.12 1.13 3.20 -0.42 -0.95 116.97 121.03 2dql h TYR 29 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2dql h TYR 29 Cb 0.38 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2dql h TYR 29 CO 0.02 0.21 -0.12 0.28 -1.64 0.00 0.00 178.16 176.91 2dql h VAL 30 N 0.49 1.35 0.00 1.81 2.07 -0.80 -3.20 116.25 117.98 2dql h VAL 30 Ca 0.24 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2dql h VAL 30 Cb 0.17 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2dql h VAL 30 CO -0.18 0.37 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 2dql h LEU 31 N -0.10 0.00 -1.85 2.57 3.38 -0.79 -0.15 115.31 118.37 2dql h LEU 31 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dql h LEU 31 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dql h LEU 31 CO 0.03 0.04 -0.01 -0.07 0.09 0.00 0.00 178.44 178.52 2dql h LEU 32 N 0.00 0.00 0.00 1.67 3.38 -1.16 -1.76 115.31 117.44 2dql h LEU 32 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dql h LEU 32 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dql h LEU 32 CO 0.01 0.01 -0.51 1.56 0.09 0.00 0.00 178.44 179.60 2dql h GLN 33 N 0.00 0.00 0.00 1.13 4.20 -1.10 -3.49 115.11 115.84 2dql h GLN 33 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dql h GLN 33 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2dql h GLN 33 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2dql n GLY 34 N 1.22 3.76 3.61 3.46 0.00 -0.66 -5.12 105.19 111.45 2dql n GLY 34 Ca 0.03 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2dql n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dql n GLU 35 N -1.61 1.20 -2.93 1.61 0.28 -1.26 -4.21 120.64 113.73 2dql n GLU 35 Ca 0.00 0.44 -0.08 0.00 -0.16 0.00 0.00 57.16 57.35 2dql n GLU 35 Cb 0.00 -2.07 -0.03 0.00 1.43 0.00 0.00 31.44 30.77 2dql n GLU 35 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dql n SER 36 N 0.13 -0.53 -3.95 -1.84 2.88 -0.92 -4.95 113.62 104.45 2dql n SER 36 Ca 0.11 -2.01 -0.09 0.00 -1.33 0.00 0.00 58.87 55.55 2dql n SER 36 Cb 0.42 1.07 -0.08 0.00 -0.75 0.00 0.00 64.21 64.87 2dql n SER 36 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2dql s TYR 37 N -3.36 0.34 0.14 0.66 -0.85 -1.26 -0.61 117.35 112.41 2dql s TYR 37 Ca 0.17 -0.77 -0.32 0.00 -0.52 0.00 0.00 57.07 55.64 2dql s TYR 37 Cb 0.00 -0.15 -0.08 0.00 0.38 0.00 0.00 41.96 42.11 2dql s TYR 37 CO 0.12 -0.57 1.55 0.78 -1.52 0.00 0.00 175.55 175.91 2dql h GLY 38 N 2.76 -0.90 1.19 5.49 0.00 -2.00 -0.27 103.07 109.33 2dql h GLY 38 Ca -0.33 0.74 0.03 0.00 0.00 0.00 0.00 47.33 47.77 2dql h GLY 38 CO 0.56 -0.06 0.46 -0.91 0.00 0.00 0.00 176.54 176.59 2dql h THR 39 N -0.24 1.10 -0.32 4.70 1.35 -1.98 -2.13 112.91 115.39 2dql h THR 39 Ca 0.11 -0.29 -0.18 0.00 -0.55 0.00 0.00 66.41 65.51 2dql h THR 39 Cb 0.53 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2dql h THR 39 CO -0.73 0.15 -0.49 -0.08 -0.25 0.00 0.00 175.52 174.12 2dql h GLU 40 N 0.84 0.90 -0.90 4.72 4.81 -1.78 -1.36 114.58 121.81 2dql h GLU 40 Ca 0.28 -0.53 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 2dql h GLU 40 Cb 0.07 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 2dql h GLU 40 CO -0.08 1.18 0.57 -0.07 -0.73 0.00 0.00 179.01 179.88 2dql h LEU 41 N 0.70 0.93 0.03 1.64 3.38 -0.45 0.33 115.31 121.87 2dql h LEU 41 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dql h LEU 41 Cb 1.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dql h LEU 41 CO 0.11 0.61 -0.01 0.40 0.09 0.00 0.00 178.44 179.64 2dql h ILE 42 N 1.07 1.32 -0.59 1.22 2.04 -1.29 -3.02 117.51 118.26 2dql h ILE 42 Ca 0.37 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2dql h ILE 42 Cb 0.09 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2dql h ILE 42 CO -0.15 0.29 0.23 -0.61 0.00 0.00 0.00 178.15 177.92 2dql h GLN 43 N -0.55 0.88 -0.46 2.37 5.75 -0.98 -2.85 115.11 119.26 2dql h GLN 43 Ca -0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 2dql h GLN 43 Cb 0.51 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2dql h GLN 43 CO 0.01 0.75 0.30 0.37 -2.65 0.00 0.00 178.83 177.61 2dql h GLN 44 N 0.81 0.61 -0.10 1.69 4.15 -0.42 -1.69 115.11 120.16 2dql h GLN 44 Ca 0.20 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2dql h GLN 44 Cb 0.20 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2dql h GLN 44 CO -0.02 0.41 0.04 1.25 -1.93 0.00 0.00 178.83 178.58 2dql h LEU 45 N 0.63 0.14 -0.96 -2.39 5.85 -1.37 -1.05 115.31 116.16 2dql h LEU 45 Ca 0.17 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2dql h LEU 45 Cb -0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2dql h LEU 45 CO -0.04 0.29 0.25 -0.08 -0.34 0.00 0.00 178.44 178.53 2dql h GLU 46 N -0.01 1.00 -0.36 1.25 4.81 -1.40 0.22 114.58 120.10 2dql h GLU 46 Ca 0.03 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 2dql h GLU 46 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2dql h GLU 46 CO -0.00 0.83 -0.23 1.15 -0.73 0.00 0.00 179.01 180.03 2dql h THR 47 N 0.98 1.29 0.06 0.32 2.02 -1.18 -2.51 112.91 113.89 2dql h THR 47 Ca 0.22 -1.37 -0.24 0.00 0.77 0.00 0.00 66.41 65.79 2dql h THR 47 Cb 0.22 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2dql h THR 47 CO -0.02 0.45 -1.12 -0.33 0.37 0.00 0.00 175.52 174.88 2dql h GLU 48 N 0.57 0.15 -2.52 6.66 5.08 -1.03 -3.40 114.58 120.08 2dql h GLU 48 Ca 0.07 -0.25 -0.59 0.00 -1.00 0.00 0.00 59.36 57.59 2dql h GLU 48 Cb 0.79 0.09 -0.39 0.00 0.50 0.00 0.00 28.75 29.74 2dql h GLU 48 CO 0.06 1.11 -0.89 -1.01 -1.00 0.00 0.00 179.01 177.28 2dql s HIS 49 N -2.71 1.47 0.65 4.33 3.76 0.77 -5.00 115.29 118.56 2dql s HIS 49 Ca -0.02 -2.42 0.20 0.00 -0.15 0.00 0.00 55.06 52.67 2dql s HIS 49 Cb 0.09 -1.23 1.01 0.00 1.11 0.00 0.00 32.58 33.56 2dql s HIS 49 CO 0.85 -0.78 1.56 -1.35 -0.85 0.00 0.00 174.74 174.16 2dql h PRO 50 N 5.77 0.00 -0.57 8.40 0.11 -1.64 0.54 132.00 144.61 2dql h PRO 50 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2dql h PRO 50 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2dql h PRO 50 CO 0.42 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.46 2dql n THR 51 N -2.93 0.94 -4.23 -1.15 -2.24 -1.26 -4.86 114.28 98.55 2dql n THR 51 Ca 0.03 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 2dql n THR 51 Cb 0.75 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 69.13 2dql n THR 51 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dql s TYR 52 N -1.43 1.34 0.05 4.78 2.02 0.18 -0.49 117.35 123.80 2dql s TYR 52 Ca 0.37 -0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 2dql s TYR 52 Cb 0.21 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 2dql s TYR 52 CO 0.23 0.12 0.08 1.03 -1.57 0.00 0.00 175.55 175.44 2dql s ARG 53 N -2.78 0.63 -0.12 -0.62 1.81 -0.15 -4.30 118.95 113.43 2dql s ARG 53 Ca 0.09 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2dql s ARG 53 Cb -0.04 0.24 0.03 0.00 -0.45 0.00 0.00 34.95 34.73 2dql s ARG 53 CO 0.02 -0.16 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.26 2dql s LEU 54 N -2.42 1.18 0.61 2.53 2.96 -1.26 -1.37 118.68 120.92 2dql s LEU 54 Ca -0.01 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 2dql s LEU 54 Cb 0.02 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 2dql s LEU 54 CO -0.07 -0.15 1.03 -0.94 -1.32 0.00 0.00 176.35 174.90 2dql s SER 55 N 1.74 6.03 0.27 3.68 1.04 -1.26 -4.89 113.70 120.32 2dql s SER 55 Ca 0.04 1.56 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 2dql s SER 55 Cb -0.13 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 63.85 2dql s SER 55 CO -0.08 -1.00 1.84 -0.78 0.98 0.00 0.00 173.24 174.21 2dql h ASP 56 N -0.03 0.87 -0.34 7.02 1.82 -2.00 -0.50 116.42 123.25 2dql h ASP 56 Ca -0.45 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.02 2dql h ASP 56 Cb 1.20 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 2dql h ASP 56 CO 0.60 0.79 0.05 0.74 -1.61 0.00 0.00 179.24 179.81 2dql h THR 57 N 0.93 1.24 -0.19 2.25 2.02 -1.99 -2.24 112.91 114.93 2dql h THR 57 Ca 0.22 -0.84 -0.17 0.00 0.77 0.00 0.00 66.41 66.39 2dql h THR 57 Cb 0.20 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2dql h THR 57 CO -0.02 0.28 -0.57 0.58 0.37 0.00 0.00 175.52 176.17 2dql h VAL 58 N 0.41 1.32 -0.22 3.16 2.07 -1.88 -1.72 116.25 119.40 2dql h VAL 58 Ca 0.10 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 65.86 2dql h VAL 58 Cb 0.36 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2dql h VAL 58 CO 0.01 0.57 -0.12 0.25 0.02 0.00 0.00 177.57 178.30 2dql h LEU 59 N 0.44 -0.38 0.00 2.57 5.85 -0.96 -0.12 115.31 122.71 2dql h LEU 59 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dql h LEU 59 Cb 1.12 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2dql h LEU 59 CO 0.11 -0.15 -0.14 1.88 -0.34 0.00 0.00 178.44 179.80 2dql h TYR 60 N -0.10 0.00 -0.24 1.25 0.05 -1.37 0.12 116.97 116.69 2dql h TYR 60 Ca 0.12 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.74 2dql h TYR 60 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2dql h TYR 60 CO -0.28 0.00 -0.51 0.77 -1.05 0.00 0.00 178.16 177.09 2dql h SER 61 N 0.00 0.73 -0.26 3.88 0.02 -0.77 -0.53 113.55 116.61 2dql h SER 61 Ca 0.00 -0.37 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 2dql h SER 61 Cb 0.82 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2dql h SER 61 CO 0.00 1.10 -0.26 0.00 -1.14 0.00 0.00 176.83 176.53 2dql h ALA 62 N 0.92 0.38 -0.79 3.77 0.00 -0.56 -2.16 119.26 120.82 2dql h ALA 62 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2dql h ALA 62 Cb 1.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2dql h ALA 62 CO 0.10 0.37 0.41 0.82 0.00 0.00 0.00 179.25 180.95 2dql h ILE 63 N 0.35 1.24 -0.20 0.00 1.08 -0.88 -0.50 117.51 118.61 2dql h ILE 63 Ca 0.04 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2dql h ILE 63 Cb 0.82 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2dql h ILE 63 CO 0.06 0.28 0.08 0.50 -0.69 0.00 0.00 178.15 178.39 2dql h LYS 64 N 1.10 0.18 -0.13 2.37 3.64 -1.00 0.13 116.57 122.85 2dql h LYS 64 Ca 0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2dql h LYS 64 Cb 0.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2dql h LYS 64 CO -0.04 0.12 -0.07 0.35 -2.27 0.00 0.00 179.45 177.54 2dql h PHE 65 N 0.19 -0.17 -0.42 1.91 3.57 -0.90 0.19 116.94 121.30 2dql h PHE 65 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2dql h PHE 65 Cb 0.03 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2dql h PHE 65 CO -0.10 -0.12 0.25 -0.07 -2.23 0.00 0.00 178.31 176.04 2dql h LEU 66 N -0.07 0.51 -0.40 0.59 3.38 -0.75 -1.70 115.31 116.86 2dql h LEU 66 Ca 0.08 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2dql h LEU 66 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2dql h LEU 66 CO -0.17 0.41 -0.20 -0.33 0.09 0.00 0.00 178.44 178.24 2dql h GLU 67 N 0.55 0.84 -0.67 1.13 5.08 -0.55 0.10 114.58 121.07 2dql h GLU 67 Ca 0.15 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2dql h GLU 67 Cb 0.00 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2dql h GLU 67 CO -0.03 1.01 0.44 -0.44 -1.00 0.00 0.00 179.01 178.99 2dql h ASP 68 N 0.66 0.64 -0.18 1.42 3.32 -0.43 -1.04 116.42 120.81 2dql h ASP 68 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2dql h ASP 68 Cb 0.76 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2dql h ASP 68 CO 0.06 0.43 0.00 0.59 -1.72 0.00 0.00 179.24 178.60 2dql n ASN 69 N -4.47 1.82 -2.11 6.45 3.02 -0.66 -4.93 115.26 114.38 2dql n ASN 69 Ca 0.09 -1.73 -0.19 0.00 -0.03 0.00 0.00 54.58 52.72 2dql n ASN 69 Cb 0.18 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2dql n ASN 69 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dql n ARG 70 N 0.42 -1.52 0.18 3.52 5.12 -0.39 -4.87 116.66 119.11 2dql n ARG 70 Ca 0.16 0.97 0.11 0.00 -1.93 0.00 0.00 57.85 57.17 2dql n ARG 70 Cb 0.35 -5.52 0.11 0.00 -1.16 0.00 0.00 32.46 26.24 2dql n ARG 70 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dql h ALA 71 N 0.80 0.84 -2.36 7.54 0.00 -1.06 -3.43 119.26 121.58 2dql h ALA 71 Ca -0.45 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2dql h ALA 71 Cb 1.33 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 2dql h ALA 71 CO 0.55 0.07 -0.69 0.96 0.00 0.00 0.00 179.25 180.14 2dql s ILE 72 N -3.22 0.29 0.05 0.00 -4.36 -1.23 -0.61 121.20 112.12 2dql s ILE 72 Ca 0.05 -1.70 0.09 0.00 -0.26 0.00 0.00 60.65 58.83 2dql s ILE 72 Cb 0.06 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 2dql s ILE 72 CO 0.71 -0.90 -0.26 0.42 0.24 0.00 0.00 174.94 175.15 2dql s THR 73 N -3.50 2.17 0.16 8.37 -4.23 0.18 -4.64 115.64 114.16 2dql s THR 73 Ca 0.04 -1.41 0.11 0.00 -1.18 0.00 0.00 61.69 59.26 2dql s THR 73 Cb 0.05 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 2dql s THR 73 CO -0.08 0.35 -0.24 -0.83 -0.54 0.00 0.00 174.62 173.28 2dql s GLY 74 N -1.30 1.66 0.15 3.99 0.00 -1.26 -1.31 107.32 109.26 2dql s GLY 74 Ca 0.12 -1.54 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 2dql s GLY 74 CO 0.02 -1.54 0.53 -2.52 0.00 0.00 0.00 173.10 169.59 2dql s TYR 75 N -1.39 -0.39 -0.09 1.90 -0.85 -0.58 -4.99 117.35 110.96 2dql s TYR 75 Ca 0.18 0.13 -0.17 0.00 -0.52 0.00 0.00 57.07 56.69 2dql s TYR 75 Cb -0.09 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 2dql s TYR 75 CO 0.09 -0.81 0.45 -1.58 -1.52 0.00 0.00 175.55 172.17 2dql s TRP 76 N -3.78 3.56 -0.09 -3.49 0.52 -1.26 -0.82 118.94 113.58 2dql s TRP 76 Ca 0.02 0.89 0.04 0.00 0.02 0.00 0.00 56.10 57.08 2dql s TRP 76 Cb -0.00 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.83 2dql s TRP 76 CO -0.12 0.27 -0.23 0.21 0.02 0.00 0.00 176.95 177.11 2dql s LYS 77 N 0.24 2.91 -0.15 4.98 2.20 0.79 -4.94 119.74 125.77 2dql s LYS 77 Ca 0.25 -0.86 -0.19 0.00 -0.36 0.00 0.00 55.97 54.80 2dql s LYS 77 Cb -0.15 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2dql s LYS 77 CO 0.10 0.26 0.54 0.21 -0.36 0.00 0.00 175.35 176.10 2dql s LYS 78 N 0.15 4.28 -0.06 4.03 2.47 -1.26 0.01 119.74 129.36 2dql s LYS 78 Ca -0.12 0.51 -0.09 0.00 -1.56 0.00 0.00 55.97 54.71 2dql s LYS 78 Cb -0.16 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.66 2dql s LYS 78 CO 0.07 -0.01 0.24 -0.51 0.16 0.00 0.00 175.35 175.29 2dql s LEU 79 N 1.15 4.41 0.07 5.43 1.43 -1.26 -4.99 118.68 124.92 2dql s LEU 79 Ca 0.27 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.67 2dql s LEU 79 Cb -0.16 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 2dql s LEU 79 CO 0.11 0.35 1.27 -0.70 0.23 0.00 0.00 176.35 177.61 2dql s GLU 80 N -1.23 4.38 0.00 1.70 2.12 -1.26 -2.85 118.70 121.56 2dql s GLU 80 Ca 0.20 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.41 2dql s GLU 80 Cb -0.13 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2dql s GLU 80 CO 0.09 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 2dql n GLY 81 N 3.34 1.45 3.17 -1.50 0.00 -1.26 -5.03 105.19 105.36 2dql n GLY 81 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2dql n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dql s ARG 82 N -0.53 2.09 0.06 1.61 3.52 -1.13 -5.05 118.95 119.52 2dql s ARG 82 Ca 0.00 -0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 2dql s ARG 82 Cb 0.00 -1.77 -0.13 0.00 -1.56 0.00 0.00 34.95 31.50 2dql s ARG 82 CO 0.00 0.26 1.35 0.78 -0.81 0.00 0.00 175.30 176.88 2dql h GLY 83 N 6.28 0.59 -4.72 8.12 0.00 -1.96 -3.40 103.07 107.98 2dql h GLY 83 Ca -0.31 -0.65 -0.54 0.00 0.00 0.00 0.00 47.33 45.83 2dql h GLY 83 CO 0.47 0.58 0.71 -1.60 0.00 0.00 0.00 176.54 176.71 2dql s ARG 84 N -4.17 4.34 0.90 4.80 3.52 -1.26 -4.97 118.95 122.12 2dql s ARG 84 Ca -0.13 1.83 -0.12 0.00 -0.13 0.00 0.00 55.73 57.19 2dql s ARG 84 Cb 0.07 -3.48 0.13 0.00 -1.56 0.00 0.00 34.95 30.11 2dql s ARG 84 CO 0.80 -0.44 1.10 -1.25 -0.81 0.00 0.00 175.30 174.70 2dql s PRO 85 N 1.89 1.21 -0.08 5.12 0.04 -1.26 -4.64 135.00 137.28 2dql s PRO 85 Ca 0.60 0.64 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2dql s PRO 85 Cb -0.29 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2dql s PRO 85 CO 0.26 -2.22 -0.22 0.50 0.04 0.00 0.00 177.00 175.36 2dql s ARG 86 N -5.04 2.81 -0.37 4.56 3.52 0.10 -4.92 118.95 119.62 2dql s ARG 86 Ca 0.63 -0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 55.14 2dql s ARG 86 Cb -0.17 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2dql s ARG 86 CO 0.56 0.32 0.86 0.50 -0.81 0.00 0.00 175.30 176.73 2dql s ARG 87 N 0.00 3.79 0.11 5.12 6.06 -1.26 -0.15 118.95 132.62 2dql s ARG 87 Ca -0.08 0.44 0.03 0.00 -2.50 0.00 0.00 55.73 53.62 2dql s ARG 87 Cb -0.15 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 31.01 2dql s ARG 87 CO 0.05 -0.91 0.15 -1.64 -2.50 0.00 0.00 175.30 170.45 2dql s MET 88 N 3.31 3.08 0.05 5.12 -1.94 0.00 -4.42 119.30 124.49 2dql s MET 88 Ca 0.35 -0.68 0.07 0.00 -1.71 0.00 0.00 55.69 53.72 2dql s MET 88 Cb -0.12 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 33.89 2dql s MET 88 CO 0.18 0.55 -0.18 0.71 -0.01 0.00 0.00 175.02 176.26 2dql s TYR 89 N -1.56 1.60 0.02 -0.03 2.02 0.22 -1.52 117.35 118.10 2dql s TYR 89 Ca 0.32 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2dql s TYR 89 Cb -0.12 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 2dql s TYR 89 CO 0.25 0.08 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.62 2dql s GLN 90 N -1.25 0.36 0.36 -0.62 -0.21 -0.43 -2.16 119.66 115.71 2dql s GLN 90 Ca 0.05 -0.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.55 2dql s GLN 90 Cb -0.09 -0.02 -0.09 0.00 1.00 0.00 0.00 33.01 33.81 2dql s GLN 90 CO 0.02 -0.02 1.20 0.08 -2.12 0.00 0.00 175.29 174.45 2dql s VAL 91 N -1.33 3.06 0.28 1.09 1.01 -1.26 -0.64 120.40 122.60 2dql s VAL 91 Ca -0.13 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 2dql s VAL 91 Cb -0.09 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 2dql s VAL 91 CO -0.01 0.16 1.28 -0.44 0.00 0.00 0.00 175.10 176.10 2dql s SER 92 N -0.88 6.88 0.23 3.32 0.01 0.22 -4.73 113.70 118.74 2dql s SER 92 Ca 0.52 2.54 -0.12 0.00 1.31 0.00 0.00 55.95 60.20 2dql s SER 92 Cb -0.34 -2.63 0.30 0.00 0.21 0.00 0.00 66.02 63.56 2dql s SER 92 CO 0.44 -0.48 1.61 -0.65 0.41 0.00 0.00 173.24 174.56 2dql h PRO 93 N 4.16 0.00 0.00 12.44 0.11 -1.92 -0.41 132.00 146.38 2dql h PRO 93 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dql h PRO 93 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dql h PRO 93 CO 0.70 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 2dql n GLU 94 N -5.48 0.17 -0.19 1.05 -0.58 -1.26 -2.73 120.64 111.62 2dql n GLU 94 Ca 0.10 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 57.05 2dql n GLU 94 Cb 0.37 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.01 2dql n GLU 94 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2dql n TRP 95 N -1.38 0.50 -0.03 -0.32 7.02 -0.16 -4.55 117.44 118.51 2dql n TRP 95 Ca 0.08 -0.25 -0.14 0.00 -1.02 0.00 0.00 57.50 56.17 2dql n TRP 95 Cb 0.21 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.01 2dql n TRP 95 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2dql h GLN 96 N 3.28 -0.50 -0.24 -0.99 5.75 -1.53 0.18 115.11 121.05 2dql h GLN 96 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2dql h GLN 96 Cb 0.73 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2dql h GLN 96 CO 0.00 -0.34 0.15 1.25 -2.65 0.00 0.00 178.83 177.25 2dql h HIS 97 N -0.52 0.31 -0.69 3.99 2.76 -1.87 -1.68 115.15 117.44 2dql h HIS 97 Ca 0.06 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 2dql h HIS 97 Cb 0.66 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2dql h HIS 97 CO -0.57 0.22 0.21 0.37 -1.30 0.00 0.00 177.93 176.85 2dql h GLN 98 N 0.31 1.08 -0.39 5.26 5.75 -1.81 -1.92 115.11 123.40 2dql h GLN 98 Ca 0.09 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 2dql h GLN 98 Cb -0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 2dql h GLN 98 CO -0.02 0.94 0.07 0.00 -2.65 0.00 0.00 178.83 177.17 2dql h ALA 99 N 1.10 1.40 -0.25 3.38 0.00 -0.47 -1.32 119.26 123.09 2dql h ALA 99 Ca 0.22 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2dql h ALA 99 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2dql h ALA 99 CO -0.01 0.43 -0.37 0.93 0.00 0.00 0.00 179.25 180.23 2dql h GLU 100 N 0.57 0.58 -0.44 0.00 5.08 -0.82 0.13 114.58 119.67 2dql h GLU 100 Ca 0.13 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2dql h GLU 100 Cb 0.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2dql h GLU 100 CO 0.00 0.86 0.01 -0.44 -1.00 0.00 0.00 179.01 178.44 2dql h ASP 101 N 0.48 0.75 0.04 1.42 3.32 -0.67 -1.73 116.42 120.02 2dql h ASP 101 Ca 0.05 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 2dql h ASP 101 Cb 0.86 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2dql h ASP 101 CO 0.07 0.86 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.98 2dql h LEU 102 N 0.61 0.50 -1.11 1.55 3.38 -1.08 -2.77 115.31 116.39 2dql h LEU 102 Ca 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2dql h LEU 102 Cb 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2dql h LEU 102 CO 0.02 0.85 0.15 0.00 0.09 0.00 0.00 178.44 179.55 2dql h ALA 103 N 1.17 1.28 -0.35 1.53 0.00 -0.50 -1.82 119.26 120.58 2dql h ALA 103 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dql h ALA 103 Cb 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2dql h ALA 103 CO 0.08 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.87 2dql h ARG 104 N 0.76 0.53 -0.71 0.00 3.08 -1.04 -1.14 114.38 115.86 2dql h ARG 104 Ca 0.17 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2dql h ARG 104 Cb 0.25 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2dql h ARG 104 CO -0.01 0.53 0.26 -0.07 -1.07 0.00 0.00 179.97 179.62 2dql h LEU 105 N 0.51 0.97 0.01 3.04 3.38 -1.19 -1.09 115.31 120.94 2dql h LEU 105 Ca 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dql h LEU 105 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dql h LEU 105 CO 0.00 0.88 -0.00 -0.25 0.09 0.00 0.00 178.44 179.16 2dql h TRP 106 N 1.03 -0.01 -0.76 1.13 2.91 -1.06 -0.62 115.95 118.56 2dql h TRP 106 Ca 0.24 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.32 2dql h TRP 106 Cb 0.22 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.82 2dql h TRP 106 CO 0.02 0.29 0.45 1.96 -1.03 0.00 0.00 178.44 180.12 2dql h GLN 107 N -0.30 0.79 -0.44 2.65 4.20 -1.00 0.68 115.11 121.68 2dql h GLN 107 Ca -0.00 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 2dql h GLN 107 Cb 0.30 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2dql h GLN 107 CO 0.00 0.52 -0.21 -0.91 -0.67 0.00 0.00 178.83 177.57 2dql h ASN 108 N 0.82 0.94 -0.41 1.46 2.35 -1.16 -0.69 115.58 118.87 2dql h ASN 108 Ca 0.34 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2dql h ASN 108 Cb 0.19 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2dql h ASN 108 CO -0.18 1.13 0.25 0.22 -1.65 0.00 0.00 177.43 177.20 2dql h TYR 109 N 0.75 0.47 0.00 1.19 3.20 -0.31 -2.06 116.97 120.22 2dql h TYR 109 Ca 0.10 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2dql h TYR 109 Cb 0.78 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2dql h TYR 109 CO 0.06 0.28 -0.45 0.97 -1.64 0.00 0.00 178.16 177.38 2dql h ILE 110 N 0.51 0.86 0.19 1.81 6.09 -0.85 -2.90 117.51 123.21 2dql h ILE 110 Ca 0.16 -1.94 -0.01 0.00 -1.37 0.00 0.00 64.86 61.71 2dql h ILE 110 Cb -0.01 2.22 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2dql h ILE 110 CO -0.07 0.44 -0.09 0.22 -3.07 0.00 0.00 178.15 175.59 2dql h TYR 111 N 0.00 -0.23 -0.41 2.19 3.20 -0.78 -2.69 116.97 118.25 2dql h TYR 111 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2dql h TYR 111 Cb 1.19 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 2dql h TYR 111 CO 0.00 0.16 0.06 0.28 -1.64 0.00 0.00 178.16 177.02 2dql h VAL 112 N -0.71 1.20 -0.42 1.81 2.07 -1.47 0.61 116.25 119.34 2dql h VAL 112 Ca -0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2dql h VAL 112 Cb 0.50 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2dql h VAL 112 CO 0.04 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.44 2dql n ARG 113 N -4.29 3.61 0.00 1.57 1.74 -1.10 -4.20 116.66 114.00 2dql n ARG 113 Ca 0.02 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 2dql n ARG 113 Cb 0.23 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 2dql n ARG 113 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2dql n THR 114 N 0.50 0.00 -1.13 0.55 -1.04 -1.01 -5.00 114.28 107.14 2dql n THR 114 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2dql n THR 114 Cb 0.88 0.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 2dql n THR 114 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23