#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwo h LEU 2 N 0.00 0.32 -0.99 -4.53 3.38 -1.52 -0.81 115.31 111.16 1pwo h LEU 2 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pwo h LEU 2 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1pwo h LEU 2 CO 0.00 0.19 0.32 0.22 0.09 0.00 0.00 178.44 179.26 1pwo h TYR 3 N 0.35 1.05 -0.03 1.13 3.20 -1.96 -1.63 116.97 119.08 1pwo h TYR 3 Ca 0.27 -0.06 -0.19 0.00 3.14 0.00 0.00 58.73 61.90 1pwo h TYR 3 Cb 0.59 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1pwo h TYR 3 CO -0.00 0.78 -0.79 1.96 -1.64 0.00 0.00 178.16 178.47 1pwo h GLN 4 N 1.03 0.27 -0.65 1.82 4.20 -1.59 -2.62 115.11 117.58 1pwo h GLN 4 Ca 0.25 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1pwo h GLN 4 Cb 0.15 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1pwo h GLN 4 CO -0.03 0.93 0.24 0.35 -0.67 0.00 0.00 178.83 179.65 1pwo h PHE 5 N 0.17 1.01 -0.66 2.96 3.57 -0.99 0.42 116.94 123.42 1pwo h PHE 5 Ca -0.04 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1pwo h PHE 5 Cb 1.38 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1pwo h PHE 5 CO 0.03 0.80 0.41 -0.09 -2.23 0.00 0.00 178.31 177.24 1pwo h ARG 6 N 0.92 0.89 -0.61 1.11 2.43 -1.23 -1.60 114.38 116.28 1pwo h ARG 6 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1pwo h ARG 6 Cb 0.24 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1pwo h ARG 6 CO -0.01 0.62 0.36 0.87 -1.51 0.00 0.00 179.97 180.29 1pwo h LYS 7 N 0.90 0.84 -0.67 0.20 1.79 -1.01 -1.29 116.57 117.32 1pwo h LYS 7 Ca 0.24 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1pwo h LYS 7 Cb -0.05 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.39 1pwo h LYS 7 CO -0.05 0.61 0.38 0.52 -1.08 0.00 0.00 179.45 179.83 1pwo h MET 8 N 0.83 0.92 -0.03 3.15 2.86 -0.36 0.36 114.93 122.66 1pwo h MET 8 Ca 0.22 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1pwo h MET 8 Cb 0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1pwo h MET 8 CO -0.04 0.67 -0.44 0.82 1.06 0.00 0.00 176.91 178.98 1pwo h ILE 9 N 0.93 1.32 0.00 -1.22 2.04 -0.83 -1.03 117.51 118.72 1pwo h ILE 9 Ca 0.24 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1pwo h ILE 9 Cb 0.01 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1pwo h ILE 9 CO -0.04 0.45 0.00 0.29 0.00 0.00 0.00 178.15 178.85 1pwo n LYS 10 N -4.01 0.04 -0.06 2.37 5.02 -0.04 -1.35 118.16 120.13 1pwo n LYS 10 Ca -0.02 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.19 1pwo n LYS 10 Cb 0.48 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 1pwo n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwo n THR 12 N -4.28 0.27 -3.32 0.00 -2.24 -0.91 -4.32 114.28 99.47 1pwo n THR 12 Ca -0.26 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 1pwo n THR 12 Cb 0.72 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1pwo n THR 12 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pwo s ILE 13 N -3.07 0.15 0.54 2.28 1.01 -0.45 -4.81 121.20 116.85 1pwo s ILE 13 Ca 0.11 -2.37 -0.20 0.00 0.00 0.00 0.00 60.65 58.18 1pwo s ILE 13 Cb 0.15 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 1pwo s ILE 13 CO 0.62 -1.07 1.16 -2.84 0.00 0.00 0.00 174.94 172.82 1pwo s PRO 14 N 0.24 3.32 0.00 2.79 0.02 -1.23 -3.57 135.00 136.57 1pwo s PRO 14 Ca 0.31 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1pwo s PRO 14 Cb 0.02 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1pwo s PRO 14 CO -0.17 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 1pwo n GLY 15 N 0.32 0.16 3.28 0.52 0.00 -1.26 -4.97 105.19 103.24 1pwo n GLY 15 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1pwo n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pwo s ARG 16 N -1.33 2.88 -0.48 1.61 3.52 -1.23 -5.09 118.95 118.82 1pwo s ARG 16 Ca 0.00 -0.85 -0.23 0.00 -0.13 0.00 0.00 55.73 54.52 1pwo s ARG 16 Cb 0.00 -2.30 0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1pwo s ARG 16 CO 0.00 0.29 0.79 -2.00 -0.81 0.00 0.00 175.30 173.57 1pwo s GLU 17 N 0.09 3.34 0.40 5.12 2.56 -1.26 -4.80 118.70 124.14 1pwo s GLU 17 Ca -0.10 -0.27 0.17 0.00 0.00 0.00 0.00 54.97 54.78 1pwo s GLU 17 Cb -0.16 -3.99 1.08 0.00 2.00 0.00 0.00 34.13 33.06 1pwo s GLU 17 CO 0.06 -1.21 1.79 -1.35 -0.56 0.00 0.00 175.26 173.99 1pwo h PRO 18 N 9.05 0.41 0.00 4.30 0.11 -1.93 0.31 132.00 144.25 1pwo h PRO 18 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pwo h PRO 18 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pwo h PRO 18 CO 0.98 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 180.33 1pwo n LEU 19 N -4.61 0.00 -0.02 2.35 4.77 -1.26 -1.81 117.00 116.42 1pwo n LEU 19 Ca 0.24 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.47 1pwo n LEU 19 Cb 0.83 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1pwo n LEU 19 CO 0.26 -0.15 -0.62 0.18 -1.33 0.00 0.00 177.39 175.73 1pwo n LEU 20 N -1.28 2.87 0.07 2.23 4.77 0.03 -4.55 117.00 121.15 1pwo n LEU 20 Ca 0.07 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 1pwo n LEU 20 Cb 0.11 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1pwo n LEU 20 CO 0.10 0.54 0.02 0.00 -1.33 0.00 0.00 177.39 176.72 1pwo h ALA 21 N 0.01 -0.05 -0.42 -1.18 0.00 -1.37 -3.39 119.26 112.86 1pwo h ALA 21 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1pwo h ALA 21 Cb 1.13 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pwo h ALA 21 CO -0.01 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.92 1pwo n PHE 22 N -4.00 0.55 1.33 0.00 3.72 -0.75 -4.64 117.46 113.66 1pwo n PHE 22 Ca -0.14 -0.49 0.13 0.00 -0.05 0.00 0.00 57.45 56.90 1pwo n PHE 22 Cb 0.88 -0.02 0.45 0.00 -0.94 0.00 0.00 39.48 39.84 1pwo n PHE 22 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pwo n THR 23 N 0.73 0.00 -2.70 4.37 -2.24 -1.24 -3.46 114.28 109.75 1pwo n THR 23 Ca 0.14 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1pwo n THR 23 Cb 0.46 0.34 0.12 0.00 -2.10 0.00 0.00 70.33 69.14 1pwo n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pwo n ASP 24 N -0.53 -1.76 -4.55 3.42 2.03 -1.01 -3.66 116.55 110.49 1pwo n ASP 24 Ca 0.14 -2.49 -0.31 0.00 0.52 0.00 0.00 54.79 52.65 1pwo n ASP 24 Cb 0.34 0.96 -0.11 0.00 -0.72 0.00 0.00 41.12 41.59 1pwo n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1pwo s TYR 25 N 0.04 2.77 0.00 -0.67 6.14 0.24 -1.22 117.35 124.65 1pwo s TYR 25 Ca 0.22 -0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.81 1pwo s TYR 25 Cb 0.40 -1.54 0.00 0.00 0.42 0.00 0.00 41.96 41.24 1pwo s TYR 25 CO -0.08 0.34 0.00 0.41 0.64 0.00 0.00 175.55 176.86 1pwo n GLY 26 N 1.41 2.07 0.00 8.97 0.00 0.51 -1.94 105.19 116.21 1pwo n GLY 26 Ca -0.15 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1pwo n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwo n TYR 28 N -1.54 0.00 -2.17 0.00 4.02 -1.25 -3.97 117.16 112.25 1pwo n TYR 28 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1pwo n TYR 28 Cb 0.24 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1pwo n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pwo n GLY 30 N 5.71 0.41 3.52 0.00 0.00 -1.22 -0.60 105.19 113.00 1pwo n GLY 30 Ca 0.17 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1pwo n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwo n LYS 31 N 0.00 0.39 -0.91 1.61 5.02 -1.24 -4.78 118.16 118.25 1pwo n LYS 31 Ca 0.00 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1pwo n LYS 31 Cb 0.00 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 1pwo n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pwo n GLY 32 N 1.47 -1.22 0.00 0.72 0.00 -1.26 -4.85 105.19 100.06 1pwo n GLY 32 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1pwo n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwo n GLY 33 N -2.88 4.12 1.41 -0.02 0.00 -1.26 -4.58 105.19 101.97 1pwo n GLY 33 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1pwo n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pwo n SER 34 N 0.00 -7.67 0.00 1.61 3.41 -1.26 -4.71 113.62 105.00 1pwo n SER 34 Ca 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1pwo n SER 34 Cb 0.00 -3.84 0.00 0.00 -0.26 0.00 0.00 64.21 60.11 1pwo n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwo n GLY 35 N -0.30 -1.78 3.37 5.00 0.00 -1.24 -4.66 105.19 105.58 1pwo n GLY 35 Ca 0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1pwo n GLY 35 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pwo s THR 36 N 0.00 2.91 -0.03 2.61 -1.32 -1.26 -4.97 115.64 113.57 1pwo s THR 36 Ca 0.00 -0.73 -0.38 0.00 -1.21 0.00 0.00 61.69 59.37 1pwo s THR 36 Cb 0.00 -2.19 -0.16 0.00 -1.51 0.00 0.00 72.50 68.64 1pwo s THR 36 CO 0.00 0.54 1.49 -2.65 -2.21 0.00 0.00 174.62 171.79 1pwo n PRO 37 N 3.23 1.19 0.22 7.08 -0.02 -1.26 -4.87 135.00 140.58 1pwo n PRO 37 Ca -0.18 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1pwo n PRO 37 Cb 0.53 -2.09 0.52 0.00 -0.02 0.00 0.00 33.50 32.43 1pwo n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1pwo h VAL 38 N 3.99 0.94 -2.11 -1.45 -1.51 -1.93 -3.47 116.25 110.70 1pwo h VAL 38 Ca -0.47 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1pwo h VAL 38 Cb 1.33 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1pwo h VAL 38 CO 0.84 0.24 0.03 -0.90 -1.23 0.00 0.00 177.57 176.55 1pwo n ASP 39 N -3.91 -0.26 0.05 4.19 5.68 -1.26 -5.03 116.55 116.00 1pwo n ASP 39 Ca -0.02 -1.18 -0.12 0.00 -0.50 0.00 0.00 54.79 52.97 1pwo n ASP 39 Cb 0.32 0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 40.67 1pwo n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pwo h GLU 40 N 0.00 -0.02 -0.33 0.11 4.81 -1.90 -1.91 114.58 115.34 1pwo h GLU 40 Ca -0.04 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1pwo h GLU 40 Cb 0.14 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1pwo h GLU 40 CO 0.05 -0.01 0.23 1.25 -0.73 0.00 0.00 179.01 179.80 1pwo h LEU 41 N -0.03 0.13 -0.26 1.64 7.12 -1.92 0.90 115.31 122.88 1pwo h LEU 41 Ca -0.00 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.85 1pwo h LEU 41 Cb 0.02 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1pwo h LEU 41 CO 0.00 0.08 -0.46 -0.78 -0.13 0.00 0.00 178.44 177.16 1pwo h ASP 42 N 0.15 0.86 -0.54 1.25 -0.00 -1.80 -2.92 116.42 113.42 1pwo h ASP 42 Ca 0.15 -0.53 -0.02 0.00 -0.00 0.00 0.00 57.03 56.63 1pwo h ASP 42 Cb 0.41 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.47 1pwo h ASP 42 CO -0.02 1.22 0.25 0.03 -0.00 0.00 0.00 179.24 180.73 1pwo h ARG 43 N 0.52 0.78 -0.88 0.28 3.08 -0.21 0.72 114.38 118.68 1pwo h ARG 43 Ca 0.02 -0.12 0.22 0.00 0.07 0.00 0.00 59.98 60.17 1pwo h ARG 43 Cb 1.06 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 1pwo h ARG 43 CO 0.10 0.65 0.60 0.00 -1.07 0.00 0.00 179.97 180.25 1pwo h GLN 46 N 0.03 0.21 -0.35 0.00 4.15 0.15 0.15 115.11 119.46 1pwo h GLN 46 Ca -0.20 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.26 1pwo h GLN 46 Cb 1.94 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.53 1pwo h GLN 46 CO 0.23 0.20 -0.01 1.15 -1.93 0.00 0.00 178.83 178.47 1pwo h THR 47 N 0.16 0.73 -0.83 2.39 2.02 0.40 -1.27 112.91 116.50 1pwo h THR 47 Ca 0.05 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1pwo h THR 47 Cb 0.05 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.03 1pwo h THR 47 CO -0.01 0.02 0.50 -0.74 0.37 0.00 0.00 175.52 175.66 1pwo h HIS 48 N 0.09 0.92 0.15 3.16 -0.00 -0.84 0.38 115.15 119.01 1pwo h HIS 48 Ca 0.17 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1pwo h HIS 48 Cb 0.24 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 1pwo h HIS 48 CO -0.25 0.43 -0.27 -0.44 -0.00 0.00 0.00 177.93 177.40 1pwo h ASP 49 N 0.89 -0.76 0.37 3.26 5.19 0.16 -2.31 116.42 123.21 1pwo h ASP 49 Ca 0.38 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.77 1pwo h ASP 49 Cb 0.24 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1pwo h ASP 49 CO -0.20 -0.37 -0.44 0.78 -3.12 0.00 0.00 179.24 175.90 1pwo h ASN 50 N -0.50 0.09 0.23 6.45 2.35 -0.96 -1.88 115.58 121.35 1pwo h ASN 50 Ca 0.02 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1pwo h ASN 50 Cb 0.51 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1pwo h ASN 50 CO -0.14 0.52 -0.08 0.00 -1.65 0.00 0.00 177.43 176.08 1pwo h TYR 52 N 0.00 0.15 -0.33 0.00 -1.99 -0.80 -2.84 116.97 111.16 1pwo h TYR 52 Ca -0.00 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 60.50 1pwo h TYR 52 Cb 0.22 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 1pwo h TYR 52 CO 0.00 1.10 -0.30 -0.44 -0.00 0.00 0.00 178.16 178.52 1pwo h ASP 53 N 0.02 0.73 -0.14 3.88 3.45 -0.60 -2.59 116.42 121.18 1pwo h ASP 53 Ca -0.10 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.06 1pwo h ASP 53 Cb 1.87 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.43 1pwo h ASP 53 CO 0.14 0.98 0.04 0.11 -1.57 0.00 0.00 179.24 178.95 1pwo h LYS 54 N 0.60 0.21 0.00 3.56 1.57 -1.04 -2.93 116.57 118.54 1pwo h LYS 54 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1pwo h LYS 54 Cb 0.81 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1pwo h LYS 54 CO 0.07 0.34 -0.08 0.00 -0.57 0.00 0.00 179.45 179.21 1pwo h ALA 55 N 0.86 1.78 0.00 3.86 0.00 -1.44 0.84 119.26 125.15 1pwo h ALA 55 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pwo h ALA 55 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pwo h ALA 55 CO -0.00 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.74 1pwo n GLU 56 N -4.31 0.05 -0.02 0.00 1.02 -0.98 -2.93 120.64 113.46 1pwo n GLU 56 Ca -0.03 0.12 0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1pwo n GLU 56 Cb 0.16 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1pwo n GLU 56 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pwo n LYS 57 N -1.47 1.11 -1.53 3.49 5.02 -0.15 -4.99 118.16 119.65 1pwo n LYS 57 Ca 0.06 -0.06 -0.55 0.00 -2.02 0.00 0.00 58.31 55.73 1pwo n LYS 57 Cb 0.24 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1pwo n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pwo n LEU 58 N -2.08 2.00 0.33 -0.35 4.77 0.11 -4.75 117.00 117.01 1pwo n LEU 58 Ca -0.08 0.75 0.14 0.00 -0.03 0.00 0.00 56.01 56.80 1pwo n LEU 58 Cb 0.51 -1.14 0.77 0.00 -2.33 0.00 0.00 43.42 41.23 1pwo n LEU 58 CO 0.23 -0.61 1.11 1.55 -1.33 0.00 0.00 177.39 178.34 1pwo h PRO 59 N 9.51 0.00 -0.03 3.23 0.13 -1.91 0.51 132.00 143.45 1pwo h PRO 59 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1pwo h PRO 59 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pwo h PRO 59 CO 1.01 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.17 1pwo n GLU 60 N -2.84 1.28 -3.56 0.86 1.02 -1.26 -4.72 120.64 111.42 1pwo n GLU 60 Ca -0.02 -0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 56.30 1pwo n GLU 60 Cb 0.40 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1pwo n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwo n LYS 62 N 5.03 0.00 0.00 0.00 5.02 -1.26 -4.95 118.16 122.00 1pwo n LYS 62 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1pwo n LYS 62 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1pwo n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pwo n GLY 63 N 0.00 1.18 0.23 0.72 0.00 -1.26 -4.82 105.19 101.24 1pwo n GLY 63 Ca 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.48 1pwo n GLY 63 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pwo h ILE 64 N 0.00 0.59 -0.97 -0.61 1.08 -2.03 -2.45 117.51 113.12 1pwo h ILE 64 Ca 0.00 -0.07 -0.60 0.00 -0.39 0.00 0.00 64.86 63.80 1pwo h ILE 64 Cb 0.00 0.37 -0.30 0.00 -3.07 0.00 0.00 36.82 33.83 1pwo h ILE 64 CO 0.00 0.04 0.72 0.18 -0.69 0.00 0.00 178.15 178.40 1pwo n LEU 65 N -5.18 7.16 0.01 1.44 4.77 -1.26 -4.37 117.00 119.57 1pwo n LEU 65 Ca 0.09 -4.03 0.11 0.00 -0.03 0.00 0.00 56.01 52.15 1pwo n LEU 65 Cb 0.33 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1pwo n LEU 65 CO 0.15 1.32 0.06 -1.54 -1.33 0.00 0.00 177.39 176.05 1pwo n SER 66 N -1.01 0.69 -4.76 -1.43 3.41 -0.92 -3.87 113.62 105.73 1pwo n SER 66 Ca 0.60 -0.49 -0.36 0.00 -0.26 0.00 0.00 58.87 58.37 1pwo n SER 66 Cb 1.07 0.79 0.02 0.00 -0.26 0.00 0.00 64.21 65.83 1pwo n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pwo s GLY 67 N -3.31 2.74 0.57 5.00 0.00 -1.26 -4.70 107.32 106.36 1pwo s GLY 67 Ca 0.06 1.00 0.25 0.00 0.00 0.00 0.00 44.72 46.03 1pwo s GLY 67 CO 0.81 1.40 2.16 -0.56 0.00 0.00 0.00 173.10 176.91 1pwo h PRO 68 N 1.12 0.00 -0.03 2.90 0.13 -1.91 0.46 132.00 134.67 1pwo h PRO 68 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1pwo h PRO 68 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1pwo h PRO 68 CO 0.56 0.00 -0.84 1.88 -0.23 0.00 0.00 178.00 179.37 1pwo h TYR 69 N 0.00 0.47 -0.00 1.56 0.05 -1.93 -3.29 116.97 113.84 1pwo h TYR 69 Ca 0.05 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1pwo h TYR 69 Cb 0.22 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1pwo h TYR 69 CO 0.00 1.03 -0.07 1.33 -1.05 0.00 0.00 178.16 179.40 1pwo n VAL 70 N -3.75 0.00 -2.57 -2.88 0.24 -0.94 -1.88 118.33 106.55 1pwo n VAL 70 Ca -0.05 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.37 1pwo n VAL 70 Cb 0.77 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 34.17 1pwo n VAL 70 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pwo s ASN 71 N -0.73 6.17 -0.07 -1.34 3.84 0.16 -4.75 114.94 118.22 1pwo s ASN 71 Ca 0.04 -0.46 -0.30 0.00 0.21 0.00 0.00 52.86 52.35 1pwo s ASN 71 Cb 0.03 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1pwo s ASN 71 CO 0.09 -1.81 1.63 -0.89 -2.79 0.00 0.00 177.10 173.34 1pwo s THR 72 N 5.63 3.63 0.28 -5.21 2.01 -1.26 -1.90 115.64 118.82 1pwo s THR 72 Ca 0.35 0.75 0.03 0.00 0.31 0.00 0.00 61.69 63.13 1pwo s THR 72 Cb -0.08 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1pwo s THR 72 CO 0.15 -0.08 0.24 0.00 -0.69 0.00 0.00 174.62 174.24 1pwo n TYR 73 N 7.20 -1.29 -4.38 4.92 0.18 -1.26 -4.92 117.16 117.60 1pwo n TYR 73 Ca 0.17 -1.16 -0.33 0.00 1.88 0.00 0.00 57.90 58.47 1pwo n TYR 73 Cb 0.43 -0.23 -0.16 0.00 -0.38 0.00 0.00 39.34 38.99 1pwo n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1pwo s SER 74 N -2.65 3.10 0.26 9.48 0.15 -1.26 -4.99 113.70 117.79 1pwo s SER 74 Ca 0.18 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.15 1pwo s SER 74 Cb -0.01 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1pwo s SER 74 CO 0.11 0.04 0.37 -0.72 1.20 0.00 0.00 173.24 174.24 1pwo s TYR 75 N 1.07 0.82 -0.01 3.44 -0.85 -1.26 -1.00 117.35 119.55 1pwo s TYR 75 Ca -0.01 -1.09 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 1pwo s TYR 75 Cb -0.14 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.08 1pwo s TYR 75 CO -0.08 -0.93 -0.01 0.34 -1.52 0.00 0.00 175.55 173.35 1pwo s ASP 76 N -3.13 0.30 -0.35 -0.18 2.15 -0.03 -4.94 116.67 110.49 1pwo s ASP 76 Ca 0.30 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.27 1pwo s ASP 76 Cb 0.02 -0.08 0.10 0.00 -0.30 0.00 0.00 42.92 42.66 1pwo s ASP 76 CO 0.13 -0.01 0.08 0.00 -0.17 0.00 0.00 175.17 175.20 1pwo s THR 78 N 0.97 1.80 -1.44 0.00 2.01 -0.84 -4.73 115.64 113.40 1pwo s THR 78 Ca 0.10 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 1pwo s THR 78 Cb -0.20 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1pwo s THR 78 CO -0.07 0.06 0.33 0.47 -0.69 0.00 0.00 174.62 174.72 1pwo n ASP 79 N 4.60 -5.47 0.00 3.53 9.92 -1.26 -2.02 116.55 125.85 1pwo n ASP 79 Ca -0.14 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1pwo n ASP 79 Cb 0.45 -4.40 0.00 0.00 -0.64 0.00 0.00 41.12 36.53 1pwo n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pwo n GLY 80 N -1.27 0.61 3.46 0.44 0.00 -1.26 -5.04 105.19 102.13 1pwo n GLY 80 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1pwo n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwo s LYS 81 N -0.19 3.65 -0.07 1.61 1.02 -0.86 -4.64 119.74 120.26 1pwo s LYS 81 Ca 0.00 -0.50 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 1pwo s LYS 81 Cb 0.00 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1pwo s LYS 81 CO 0.00 0.01 0.34 -0.51 -0.92 0.00 0.00 175.35 174.27 1pwo s LEU 82 N 1.01 4.38 -0.05 3.17 1.43 -1.26 -1.98 118.68 125.38 1pwo s LEU 82 Ca 0.02 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1pwo s LEU 82 Cb -0.14 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.66 1pwo s LEU 82 CO 0.02 0.25 0.12 0.42 0.23 0.00 0.00 176.35 177.39 1pwo s THR 83 N -0.51 -0.04 -0.03 5.49 -4.23 -0.53 -4.98 115.64 110.81 1pwo s THR 83 Ca 0.21 0.15 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1pwo s THR 83 Cb -0.15 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 1pwo s THR 83 CO 0.09 0.06 0.47 0.00 -0.54 0.00 0.00 174.62 174.70 1pwo n ASN 85 N 2.49 1.38 -4.51 0.00 3.02 -0.17 -4.99 115.26 112.48 1pwo n ASN 85 Ca -0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.05 1pwo n ASN 85 Cb 0.52 1.39 0.03 0.00 -0.61 0.00 0.00 39.78 41.11 1pwo n ASN 85 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1pwo n ASP 86 N -2.24 -0.32 0.12 6.41 8.00 -1.25 -4.94 116.55 122.32 1pwo n ASP 86 Ca -0.11 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.21 1pwo n ASP 86 Cb 0.63 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1pwo n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwo n GLN 87 N -0.10 0.00 -0.14 -1.24 -0.00 -1.26 -4.83 117.38 109.81 1pwo n GLN 87 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 57.00 1pwo n GLN 87 Cb 0.45 -0.11 -0.02 0.00 -0.00 0.00 0.00 30.24 30.57 1pwo n GLN 87 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1pwo h LYS 88 N 0.00 0.80 -4.43 2.61 2.10 -2.06 -3.31 116.57 112.27 1pwo h LYS 88 Ca 0.00 -0.32 -0.73 0.00 -2.00 0.00 0.00 60.65 57.60 1pwo h LYS 88 Cb 0.02 -0.04 -0.14 0.00 -0.90 0.00 0.00 32.23 31.17 1pwo h LYS 88 CO 0.00 0.94 1.86 -3.47 -2.00 0.00 0.00 179.45 176.78 1pwo n ASP 89 N -4.30 5.01 -0.02 7.07 4.64 -1.26 -4.80 116.55 122.89 1pwo n ASP 89 Ca -0.01 -3.00 0.23 0.00 -1.38 0.00 0.00 54.79 50.63 1pwo n ASP 89 Cb 0.38 -1.57 0.72 0.00 -1.04 0.00 0.00 41.12 39.61 1pwo n ASP 89 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1pwo h LYS 90 N 6.64 0.00 0.48 -0.67 1.79 -1.91 -1.48 116.57 121.42 1pwo h LYS 90 Ca 0.39 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 1pwo h LYS 90 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1pwo h LYS 90 CO 1.46 0.00 -0.23 0.00 -1.08 0.00 0.00 179.45 179.60 1pwo h LYS 92 N -0.88 0.38 -0.35 0.00 1.57 -1.65 0.19 116.57 115.83 1pwo h LYS 92 Ca -0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1pwo h LYS 92 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1pwo h LYS 92 CO 0.11 0.25 0.24 1.25 -0.57 0.00 0.00 179.45 180.73 1pwo h LEU 93 N 0.39 0.25 -0.02 2.94 5.85 -1.23 0.97 115.31 124.45 1pwo h LEU 93 Ca 0.38 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 1pwo h LEU 93 Cb 0.57 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1pwo h LEU 93 CO -0.40 0.17 -0.22 0.15 -0.34 0.00 0.00 178.44 177.80 1pwo h PHE 94 N 0.29 0.27 -0.85 1.25 3.57 0.89 -2.84 116.94 119.52 1pwo h PHE 94 Ca 0.15 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1pwo h PHE 94 Cb 0.24 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1pwo h PHE 94 CO -0.00 0.88 0.52 0.82 -2.23 0.00 0.00 178.31 178.30 1pwo h ILE 95 N -0.42 1.23 0.00 1.41 2.04 -0.71 -2.08 117.51 118.98 1pwo h ILE 95 Ca -0.02 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1pwo h ILE 95 Cb 0.92 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1pwo h ILE 95 CO 0.04 0.24 -0.30 0.00 0.00 0.00 0.00 178.15 178.14 1pwo h ASN 97 N 0.00 0.00 -0.09 0.00 2.35 -1.14 -0.78 115.58 115.91 1pwo h ASN 97 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1pwo h ASN 97 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1pwo h ASN 97 CO 0.04 0.66 0.03 0.00 -1.65 0.00 0.00 177.43 176.50 1pwo h ASP 99 N -0.04 0.78 -0.39 0.00 3.32 -1.51 -1.74 116.42 116.84 1pwo h ASP 99 Ca 0.03 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 1pwo h ASP 99 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pwo h ASP 99 CO -0.00 0.89 -0.32 -0.09 -1.72 0.00 0.00 179.24 178.01 1pwo h ARG 100 N 0.73 0.91 -0.13 3.56 2.43 -1.04 -1.53 114.38 119.30 1pwo h ARG 100 Ca 0.13 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1pwo h ARG 100 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1pwo h ARG 100 CO 0.03 1.10 0.02 1.15 -1.51 0.00 0.00 179.97 180.76 1pwo h THR 101 N 0.72 1.22 -0.17 0.20 2.02 -1.06 -1.06 112.91 114.78 1pwo h THR 101 Ca 0.07 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1pwo h THR 101 Cb 0.90 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1pwo h THR 101 CO 0.08 0.21 0.06 0.00 0.37 0.00 0.00 175.52 176.24 1pwo h ALA 102 N 0.80 0.22 -0.28 6.16 0.00 -1.34 -1.44 119.26 123.39 1pwo h ALA 102 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pwo h ALA 102 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pwo h ALA 102 CO 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.21 1pwo h ALA 103 N 0.90 1.71 -0.22 0.00 0.00 -1.27 -0.08 119.26 120.30 1pwo h ALA 103 Ca 0.06 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1pwo h ALA 103 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pwo h ALA 103 CO -0.00 0.24 -0.62 0.52 0.00 0.00 0.00 179.25 179.39 1pwo h MET 104 N 0.38 0.80 0.00 0.00 2.07 -0.70 -3.25 114.93 114.23 1pwo h MET 104 Ca 0.10 -0.57 0.00 0.00 -2.07 0.00 0.00 59.70 57.16 1pwo h MET 104 Cb 0.05 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1pwo h MET 104 CO -0.01 1.19 -0.48 0.00 1.07 0.00 0.00 176.91 178.68 1pwo h PHE 106 N 0.00 0.02 0.04 0.00 -1.00 -1.05 0.67 116.94 115.61 1pwo h PHE 106 Ca 0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 1pwo h PHE 106 Cb 0.89 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 1pwo h PHE 106 CO 0.00 0.01 -1.35 0.00 -1.61 0.00 0.00 178.31 175.36 1pwo h ALA 107 N 1.78 0.43 0.00 2.45 0.00 -1.58 -3.32 119.26 119.02 1pwo h ALA 107 Ca 0.21 -1.11 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 1pwo h ALA 107 Cb 0.81 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1pwo h ALA 107 CO -0.01 1.30 -0.79 0.87 0.00 0.00 0.00 179.25 180.63 1pwo h LYS 108 N 0.02 0.00 -6.96 0.00 1.57 -1.12 -3.47 116.57 106.62 1pwo h LYS 108 Ca -0.15 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.15 1pwo h LYS 108 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1pwo h LYS 108 CO 0.13 0.30 0.38 0.00 -0.57 0.00 0.00 179.45 179.69 1pwo s ALA 109 N -3.04 3.10 0.16 3.86 0.00 0.22 -5.02 121.76 121.05 1pwo s ALA 109 Ca 0.02 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1pwo s ALA 109 Cb 0.08 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 1pwo s ALA 109 CO 0.76 -0.08 1.08 -1.25 0.00 0.00 0.00 175.76 176.28 1pwo s PRO 110 N -2.52 4.60 -0.45 0.00 0.04 -1.26 -4.94 135.00 130.48 1pwo s PRO 110 Ca 0.57 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1pwo s PRO 110 Cb -0.19 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.11 1pwo s PRO 110 CO 0.24 0.08 0.35 -0.47 0.04 0.00 0.00 177.00 177.25 1pwo s TYR 111 N -0.13 3.25 -0.44 0.56 5.04 -1.26 -4.48 117.35 119.88 1pwo s TYR 111 Ca 0.49 -0.90 -0.17 0.00 -2.44 0.00 0.00 57.07 54.06 1pwo s TYR 111 Cb -0.28 -2.97 0.04 0.00 0.35 0.00 0.00 41.96 39.10 1pwo s TYR 111 CO 0.34 -0.74 0.43 0.42 -1.34 0.00 0.00 175.55 174.66 1pwo s ILE 112 N 1.63 5.12 0.61 3.14 -1.09 -1.26 -4.94 121.20 124.41 1pwo s ILE 112 Ca 0.04 -0.60 0.29 0.00 -2.23 0.00 0.00 60.65 58.15 1pwo s ILE 112 Cb -0.23 -4.08 0.35 0.00 -1.58 0.00 0.00 42.46 36.92 1pwo s ILE 112 CO 0.07 -0.50 1.92 -0.33 -1.23 0.00 0.00 174.94 174.87 1pwo h GLU 113 N 8.76 0.00 0.00 2.79 4.39 -1.96 0.56 114.58 129.12 1pwo h GLU 113 Ca -0.27 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 1pwo h GLU 113 Cb 1.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1pwo h GLU 113 CO 0.83 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 178.60 1pwo h ALA 114 N 1.45 1.00 -0.64 3.43 0.00 -2.02 -2.89 119.26 119.58 1pwo h ALA 114 Ca 0.13 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1pwo h ALA 114 Cb 0.95 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1pwo h ALA 114 CO -0.00 0.10 0.19 0.09 0.00 0.00 0.00 179.25 179.63 1pwo n ASN 115 N -3.18 4.58 -4.47 0.00 3.02 0.20 -4.82 115.26 110.58 1pwo n ASN 115 Ca 0.01 -3.23 -0.33 0.00 -0.03 0.00 0.00 54.58 51.00 1pwo n ASN 115 Cb 0.39 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 1pwo n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pwo s ASN 116 N -1.28 4.13 -1.34 6.41 2.47 -1.09 -0.36 114.94 123.88 1pwo s ASN 116 Ca 0.53 -0.20 -0.04 0.00 0.42 0.00 0.00 52.86 53.56 1pwo s ASN 116 Cb 0.42 -1.10 0.02 0.00 -1.45 0.00 0.00 41.25 39.14 1pwo s ASN 116 CO 0.12 0.30 0.90 1.41 -3.72 0.00 0.00 177.10 176.10 1pwo n HIS 117 N 2.63 -2.20 -0.20 0.43 8.25 -0.36 -4.93 115.22 118.85 1pwo n HIS 117 Ca -0.18 0.90 -0.09 0.00 -0.26 0.00 0.00 57.72 58.10 1pwo n HIS 117 Cb 0.52 -4.54 0.09 0.00 1.12 0.00 0.00 29.99 27.18 1pwo n HIS 117 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1pwo n ILE 118 N -4.44 0.00 -4.26 1.59 0.13 -1.26 -5.02 119.36 106.09 1pwo n ILE 118 Ca -0.18 -0.03 -0.34 0.00 -1.10 0.00 0.00 62.75 61.10 1pwo n ILE 118 Cb 0.63 -0.46 -0.11 0.00 -0.84 0.00 0.00 39.64 38.85 1pwo n ILE 118 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1pwo s ASP 119 N -2.35 5.14 0.15 9.51 -1.08 -1.26 -5.04 116.67 121.75 1pwo s ASP 119 Ca 0.21 -0.02 -0.23 0.00 -0.52 0.00 0.00 52.55 51.98 1pwo s ASP 119 Cb -0.03 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.63 1pwo s ASP 119 CO 0.17 0.20 1.32 -2.65 0.52 0.00 0.00 175.17 174.72 1pwo n PRO 120 N 3.36 -0.32 -0.34 4.34 -0.02 -1.26 -0.15 135.00 140.61 1pwo n PRO 120 Ca -0.17 1.30 0.23 0.00 -2.02 0.00 0.00 63.50 62.84 1pwo n PRO 120 Cb 0.52 -1.91 0.47 0.00 -0.02 0.00 0.00 33.50 32.56 1pwo n PRO 120 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1pwo h ASN 121 N 0.00 0.53 0.00 2.55 2.35 -2.02 0.74 115.58 119.73 1pwo h ASN 121 Ca 0.18 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1pwo h ASN 121 Cb 0.40 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1pwo h ASN 121 CO -0.82 -0.07 0.00 -1.14 -1.65 0.00 0.00 177.43 173.75 1pwo n ARG 122 N -4.97 0.11 -2.76 0.81 0.63 0.79 -3.19 116.66 108.08 1pwo n ARG 122 Ca 0.31 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 57.06 1pwo n ARG 122 Cb 0.95 -1.23 -0.00 0.00 0.45 0.00 0.00 32.46 32.64 1pwo n ARG 122 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12