#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 0.00 -0.54 -4.53 3.38 -1.58 -0.79 115.31 111.25 1pwo h LEU 2 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1pwo h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1pwo h LEU 2 CO 0.00 0.03 -0.24 0.22 0.09 0.00 0.00 178.44 178.54 1pwo h TYR 3 N 0.00 1.06 -0.03 1.13 3.20 -1.95 -2.06 116.97 118.32 1pwo h TYR 3 Ca -0.00 -0.26 -0.15 0.00 3.14 0.00 0.00 58.73 61.46 1pwo h TYR 3 Cb 0.06 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1pwo h TYR 3 CO 0.00 1.06 -0.65 1.96 -1.64 0.00 0.00 178.16 178.88 1pwo h GLN 4 N 0.79 0.12 -0.46 1.82 4.20 -1.60 -2.67 115.11 117.32 1pwo h GLN 4 Ca 0.10 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1pwo h GLN 4 Cb 0.80 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1pwo h GLN 4 CO 0.07 0.73 -0.04 0.35 -0.67 0.00 0.00 178.83 179.27 1pwo h PHE 5 N 0.09 0.91 -0.39 2.96 3.57 -1.06 -1.34 116.94 121.68 1pwo h PHE 5 Ca -0.01 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.35 1pwo h PHE 5 Cb 1.17 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1pwo h PHE 5 CO 0.01 0.89 0.20 -0.09 -2.23 0.00 0.00 178.31 177.09 1pwo h ARG 6 N 0.67 0.39 -0.86 1.11 2.43 -1.27 -1.77 114.38 115.08 1pwo h ARG 6 Ca 0.12 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1pwo h ARG 6 Cb 0.55 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1pwo h ARG 6 CO 0.03 0.26 0.57 0.87 -1.51 0.00 0.00 179.97 180.18 1pwo h LYS 7 N 0.40 1.02 -0.23 0.20 1.79 -1.19 -0.94 116.57 117.62 1pwo h LYS 7 Ca 0.17 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.48 1pwo h LYS 7 Cb 0.07 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 1pwo h LYS 7 CO -0.11 0.68 -0.26 0.52 -1.08 0.00 0.00 179.45 179.19 1pwo h MET 8 N 1.05 0.44 -0.08 3.15 2.86 -0.44 -1.72 114.93 120.19 1pwo h MET 8 Ca 0.35 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1pwo h MET 8 Cb 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1pwo h MET 8 CO -0.11 0.67 -0.50 0.82 1.06 0.00 0.00 176.91 178.85 1pwo h ILE 9 N 0.39 1.35 0.00 -1.22 1.08 -0.54 -1.82 117.51 116.75 1pwo h ILE 9 Ca 0.06 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 1pwo h ILE 9 Cb 0.66 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1pwo h ILE 9 CO 0.05 0.51 0.00 0.11 -0.69 0.00 0.00 178.15 178.13 1pwo h LYS 10 N 0.17 0.00 0.14 2.37 1.57 -0.58 0.38 116.57 120.62 1pwo h LYS 10 Ca 0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1pwo h LYS 10 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1pwo h LYS 10 CO 0.08 0.00 -1.53 0.00 -0.57 0.00 0.00 179.45 177.43 1pwo n THR 12 N -3.80 0.18 -3.20 0.00 -2.24 -0.89 -4.35 114.28 99.98 1pwo n THR 12 Ca -0.25 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 1pwo n THR 12 Cb 0.97 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 1pwo n THR 12 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1pwo n ILE 13 N -1.81 -0.77 -0.37 2.28 2.08 0.12 -4.81 119.36 116.08 1pwo n ILE 13 Ca 0.05 -3.65 -0.06 0.00 0.56 0.00 0.00 62.75 59.65 1pwo n ILE 13 Cb 0.39 -1.61 -0.02 0.00 -0.75 0.00 0.00 39.64 37.65 1pwo n ILE 13 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1pwo h PRO 14 N 4.42 -0.03 0.00 0.38 0.11 -1.73 -3.12 132.00 132.04 1pwo h PRO 14 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pwo h PRO 14 Cb 0.90 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1pwo h PRO 14 CO 0.42 -0.02 -0.40 0.78 -0.21 0.00 0.00 178.00 178.58 1pwo h GLY 15 N -0.03 0.00 -2.76 -0.55 0.00 -1.95 -3.48 103.07 94.30 1pwo h GLY 15 Ca 0.26 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.09 1pwo h GLY 15 CO -0.93 0.00 0.10 -1.60 0.00 0.00 0.00 176.54 174.11 1pwo s ARG 16 N -3.18 3.94 -0.45 4.80 3.52 -1.18 -5.06 118.95 121.33 1pwo s ARG 16 Ca 0.07 0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 56.17 1pwo s ARG 16 Cb 0.11 -2.42 0.09 0.00 -1.56 0.00 0.00 34.95 31.18 1pwo s ARG 16 CO 0.69 0.10 0.32 -2.00 -0.81 0.00 0.00 175.30 173.59 1pwo s GLU 17 N -3.24 2.63 0.30 5.12 2.56 -1.26 -4.85 118.70 119.97 1pwo s GLU 17 Ca 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 54.97 53.94 1pwo s GLU 17 Cb -0.10 -3.90 0.70 0.00 2.00 0.00 0.00 34.13 32.83 1pwo s GLU 17 CO 0.21 -1.07 1.57 -1.35 -0.56 0.00 0.00 175.26 174.07 1pwo h PRO 18 N 8.49 0.00 0.00 4.30 0.11 -1.93 0.39 132.00 143.37 1pwo h PRO 18 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1pwo h PRO 18 Cb 1.08 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pwo h PRO 18 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 1pwo n LEU 19 N -5.52 0.00 -0.06 2.35 4.77 -1.26 -1.78 117.00 115.50 1pwo n LEU 19 Ca 0.22 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1pwo n LEU 19 Cb 0.72 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1pwo n LEU 19 CO -0.08 -0.42 -0.87 0.18 -1.33 0.00 0.00 177.39 174.87 1pwo n LEU 20 N -1.45 1.12 -0.05 2.23 4.77 0.13 -4.53 117.00 119.23 1pwo n LEU 20 Ca 0.01 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.04 1pwo n LEU 20 Cb 0.02 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1pwo n LEU 20 CO 0.02 0.14 0.56 0.00 -1.33 0.00 0.00 177.39 176.78 1pwo h ALA 21 N -0.52 0.20 -0.43 -1.18 0.00 -1.23 -3.35 119.26 112.76 1pwo h ALA 21 Ca -0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1pwo h ALA 21 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pwo h ALA 21 CO -0.18 0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.39 1pwo n PHE 22 N -4.52 1.00 1.02 0.00 3.72 -0.73 -4.55 117.46 113.40 1pwo n PHE 22 Ca -0.07 -0.66 0.13 0.00 -0.05 0.00 0.00 57.45 56.79 1pwo n PHE 22 Cb 0.40 -0.20 0.35 0.00 -0.94 0.00 0.00 39.48 39.08 1pwo n PHE 22 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1pwo n THR 23 N 0.39 0.00 -2.73 4.37 5.66 -1.21 -4.23 114.28 116.54 1pwo n THR 23 Ca 0.20 -0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 61.10 1pwo n THR 23 Cb 0.75 0.08 0.09 0.00 -1.55 0.00 0.00 70.33 69.70 1pwo n THR 23 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1pwo n ASP 24 N -1.45 -2.31 -4.33 1.09 4.64 -1.13 -4.24 116.55 108.81 1pwo n ASP 24 Ca 0.06 -3.61 -0.30 0.00 -1.38 0.00 0.00 54.79 49.56 1pwo n ASP 24 Cb 0.33 1.86 -0.15 0.00 -1.04 0.00 0.00 41.12 42.12 1pwo n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1pwo s TYR 25 N 0.26 2.30 0.00 -0.67 6.14 -0.81 -1.17 117.35 123.40 1pwo s TYR 25 Ca 0.22 -0.42 0.00 0.00 0.64 0.00 0.00 57.07 57.51 1pwo s TYR 25 Cb 0.30 -1.41 0.00 0.00 0.42 0.00 0.00 41.96 41.27 1pwo s TYR 25 CO -0.05 0.08 0.00 0.41 0.64 0.00 0.00 175.55 176.63 1pwo n GLY 26 N 1.95 1.98 0.10 8.97 0.00 0.31 -1.31 105.19 117.19 1pwo n GLY 26 Ca -0.17 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.87 0.00 -1.34 0.00 4.02 -1.26 -4.05 117.16 111.66 1pwo n TYR 28 Ca -0.33 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.17 1pwo n TYR 28 Cb 0.98 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.97 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 4.12 0.55 0.00 0.00 0.00 -1.26 -1.91 105.19 106.68 1pwo n GLY 30 Ca 0.54 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1pwo n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pwo n LYS 31 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.51 118.16 118.81 1pwo n LYS 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pwo n LYS 31 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1pwo n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pwo n GLY 32 N 0.00 0.60 3.19 3.14 0.00 -1.26 -4.82 105.19 106.04 1pwo n GLY 32 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.20 1pwo n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwo s GLY 33 N -0.66 0.11 -0.21 -0.02 0.00 -1.26 -4.58 107.32 100.71 1pwo s GLY 33 Ca 0.00 3.43 -0.27 0.00 0.00 0.00 0.00 44.72 47.88 1pwo s GLY 33 CO 0.00 3.54 0.72 -1.35 0.00 0.00 0.00 173.10 176.00 1pwo s SER 34 N 2.36 -0.72 0.00 1.64 1.04 -1.26 -5.00 113.70 111.77 1pwo s SER 34 Ca -0.02 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1pwo s SER 34 Cb -0.04 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.30 1pwo s SER 34 CO -0.14 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1pwo n GLY 35 N 2.21 -1.22 3.55 7.32 0.00 -1.15 -4.49 105.19 111.41 1pwo n GLY 35 Ca -0.15 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1pwo n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwo s THR 36 N 0.00 3.68 0.14 2.61 2.01 -1.26 -5.01 115.64 117.81 1pwo s THR 36 Ca 0.00 -0.47 -0.34 0.00 0.31 0.00 0.00 61.69 61.18 1pwo s THR 36 Cb 0.00 -2.53 -0.14 0.00 0.01 0.00 0.00 72.50 69.84 1pwo s THR 36 CO 0.00 0.57 1.56 -2.65 -0.69 0.00 0.00 174.62 173.41 1pwo n PRO 37 N 2.58 2.02 0.27 4.92 -0.02 -1.26 -4.79 135.00 138.73 1pwo n PRO 37 Ca -0.18 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 1pwo n PRO 37 Cb 0.53 -2.49 0.75 0.00 -0.02 0.00 0.00 33.50 32.27 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 3.66 0.34 -1.99 -1.45 -1.51 -1.94 -3.47 116.25 109.90 1pwo h VAL 38 Ca -0.45 -0.54 0.04 0.00 -1.23 0.00 0.00 66.70 64.52 1pwo h VAL 38 Cb 1.26 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1pwo h VAL 38 CO 0.88 0.09 0.17 -0.90 -1.23 0.00 0.00 177.57 176.58 1pwo n ASP 39 N -3.38 -0.61 0.06 4.19 5.68 -1.26 -5.02 116.55 116.20 1pwo n ASP 39 Ca -0.01 -1.35 -0.11 0.00 -0.50 0.00 0.00 54.79 52.82 1pwo n ASP 39 Cb 0.26 1.00 -0.05 0.00 -1.14 0.00 0.00 41.12 41.19 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 -0.18 -0.72 0.11 4.81 -1.90 -1.40 114.58 115.29 1pwo h GLU 40 Ca -0.09 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1pwo h GLU 40 Cb 0.40 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1pwo h GLU 40 CO 0.12 -0.12 0.48 1.25 -0.73 0.00 0.00 179.01 180.01 1pwo h LEU 41 N -0.19 0.36 -0.53 1.64 7.12 -1.92 0.47 115.31 122.26 1pwo h LEU 41 Ca 0.04 0.02 -0.16 0.00 0.13 0.00 0.00 57.88 57.91 1pwo h LEU 41 Cb 0.24 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1pwo h LEU 41 CO -0.10 0.19 -0.52 -0.78 -0.13 0.00 0.00 178.44 177.10 1pwo h ASP 42 N 0.39 0.64 -0.11 1.25 -0.00 -1.72 -2.95 116.42 113.92 1pwo h ASP 42 Ca 0.35 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.03 56.99 1pwo h ASP 42 Cb 0.81 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.94 1pwo h ASP 42 CO -0.10 1.04 -0.10 0.03 -0.00 0.00 0.00 179.24 180.11 1pwo h ARG 43 N 0.45 0.42 -0.56 0.28 3.08 0.90 0.46 114.38 119.41 1pwo h ARG 43 Ca 0.01 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1pwo h ARG 43 Cb 1.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 1pwo h ARG 43 CO 0.10 0.53 0.26 0.00 -1.07 0.00 0.00 179.97 179.79 1pwo h GLN 46 N 0.58 0.29 -0.90 0.00 4.15 -0.45 0.24 115.11 119.02 1pwo h GLN 46 Ca 0.03 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1pwo h GLN 46 Cb 1.05 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 1pwo h GLN 46 CO 0.10 0.23 0.59 1.15 -1.93 0.00 0.00 178.83 178.97 1pwo h THR 47 N 0.26 1.19 -0.88 2.39 2.02 -0.21 -1.19 112.91 116.49 1pwo h THR 47 Ca 0.08 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1pwo h THR 47 Cb 0.01 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.29 1pwo h THR 47 CO -0.01 0.21 0.57 -0.74 0.37 0.00 0.00 175.52 175.92 1pwo h HIS 48 N 1.17 1.13 0.78 3.16 -0.00 -0.36 -0.41 115.15 120.62 1pwo h HIS 48 Ca 0.34 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.69 1pwo h HIS 48 Cb -0.07 -0.38 0.01 0.00 -0.00 0.00 0.00 27.41 26.97 1pwo h HIS 48 CO -0.01 0.72 -0.38 -0.44 -0.00 0.00 0.00 177.93 177.82 1pwo h ASP 49 N 1.20 -0.89 0.58 3.26 5.19 0.22 -2.59 116.42 123.40 1pwo h ASP 49 Ca 0.32 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1pwo h ASP 49 Cb -0.11 0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1pwo h ASP 49 CO -0.07 -0.63 0.00 -0.46 -3.12 0.00 0.00 179.24 174.96 1pwo n ASN 50 N -4.85 0.15 0.19 6.45 0.23 -0.78 -0.98 115.26 115.68 1pwo n ASN 50 Ca -0.13 0.54 0.07 0.00 -0.53 0.00 0.00 54.58 54.52 1pwo n ASN 50 Cb 0.41 -0.57 0.24 0.00 -2.08 0.00 0.00 39.78 37.78 1pwo n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pwo h TYR 52 N 0.00 0.50 -0.31 0.00 -1.99 -0.66 -2.81 116.97 111.70 1pwo h TYR 52 Ca -0.00 -0.36 -0.05 0.00 2.00 0.00 0.00 58.73 60.32 1pwo h TYR 52 Cb 1.05 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.75 1pwo h TYR 52 CO 0.00 1.27 0.01 -0.44 -0.00 0.00 0.00 178.16 179.00 1pwo h ASP 53 N 0.09 0.53 -0.83 3.88 3.45 -1.34 -0.43 116.42 121.76 1pwo h ASP 53 Ca -0.13 -0.30 0.06 0.00 0.43 0.00 0.00 57.03 57.09 1pwo h ASP 53 Cb 1.94 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 40.50 1pwo h ASP 53 CO 0.20 0.70 0.51 0.11 -1.57 0.00 0.00 179.24 179.19 1pwo h LYS 54 N 0.35 0.91 -0.67 3.56 1.57 -1.46 -0.92 116.57 119.91 1pwo h LYS 54 Ca 0.09 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1pwo h LYS 54 Cb 0.42 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1pwo h LYS 54 CO 0.01 0.60 0.23 0.00 -0.57 0.00 0.00 179.45 179.72 1pwo h ALA 55 N 1.39 1.14 0.00 3.86 0.00 -1.20 0.12 119.26 124.58 1pwo h ALA 55 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pwo h ALA 55 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pwo h ALA 55 CO -0.17 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1pwo n GLU 56 N -4.28 0.04 0.00 0.00 1.02 -0.20 -2.40 120.64 114.82 1pwo n GLU 56 Ca 0.06 0.19 0.03 0.00 -0.02 0.00 0.00 57.16 57.41 1pwo n GLU 56 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.84 -1.93 3.49 5.02 -0.61 -4.98 118.16 119.51 1pwo n LYS 57 Ca 0.05 -0.53 -0.43 0.00 -2.02 0.00 0.00 58.31 55.38 1pwo n LYS 57 Cb 0.19 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1pwo n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pwo s LEU 58 N -1.13 3.69 0.41 -0.35 1.43 0.34 -4.78 118.68 118.29 1pwo s LEU 58 Ca 0.05 1.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.87 1pwo s LEU 58 Cb 0.04 -3.53 0.49 0.00 0.03 0.00 0.00 46.19 43.23 1pwo s LEU 58 CO 0.12 -1.56 1.15 -0.65 0.23 0.00 0.00 176.35 175.64 1pwo h PRO 59 N 12.41 0.00 -0.02 1.29 0.11 -1.90 0.38 132.00 144.27 1pwo h PRO 59 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pwo h PRO 59 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pwo h PRO 59 CO 1.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.18 1pwo n GLU 60 N -2.11 1.53 -3.43 1.05 1.02 -1.26 -4.81 120.64 112.63 1pwo n GLU 60 Ca -0.01 -0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 55.94 1pwo n GLU 60 Cb 0.57 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 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 5.28 0.00 -4.11 0.00 5.02 -1.26 -4.98 118.16 118.11 1pwo n LYS 62 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.10 1pwo n LYS 62 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1pwo n LYS 62 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pwo s GLY 63 N 0.00 0.70 0.00 0.72 0.00 -1.26 -4.89 107.32 102.59 1pwo s GLY 63 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1pwo s GLY 63 CO 0.00 -1.31 0.00 1.39 0.00 0.00 0.00 173.10 173.18 1pwo n ILE 64 N 0.00 0.00 -1.45 0.90 2.08 -1.26 -2.45 119.36 117.18 1pwo n ILE 64 Ca -0.10 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.89 1pwo n ILE 64 Cb 0.62 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.59 1pwo n ILE 64 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1pwo n LEU 65 N 0.00 7.17 -0.40 1.39 4.77 -1.26 -4.32 117.00 124.34 1pwo n LEU 65 Ca 0.00 -4.35 0.08 0.00 -0.03 0.00 0.00 56.01 51.71 1pwo n LEU 65 Cb 0.00 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1pwo n LEU 65 CO 0.00 1.57 0.29 -1.54 -1.33 0.00 0.00 177.39 176.38 1pwo n SER 66 N -0.89 1.72 -4.79 -1.43 3.41 -1.02 -3.99 113.62 106.62 1pwo n SER 66 Ca 0.59 -1.36 -0.33 0.00 -0.26 0.00 0.00 58.87 57.51 1pwo n SER 66 Cb 0.74 0.43 0.02 0.00 -0.26 0.00 0.00 64.21 65.14 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 -1.88 2.23 0.52 5.00 0.00 -1.26 -4.76 107.32 107.16 1pwo s GLY 67 Ca 0.14 0.51 0.17 0.00 0.00 0.00 0.00 44.72 45.54 1pwo s GLY 67 CO 0.40 0.84 2.13 -2.55 0.00 0.00 0.00 173.10 173.92 1pwo h PRO 68 N 0.50 0.00 0.04 2.90 0.11 -1.91 0.42 132.00 134.06 1pwo h PRO 68 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1pwo h PRO 68 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pwo h PRO 68 CO 0.56 0.00 -1.01 1.88 -0.21 0.00 0.00 178.00 179.22 1pwo h TYR 69 N 0.00 0.40 -0.00 0.65 0.99 -1.92 -3.28 116.97 113.81 1pwo h TYR 69 Ca 0.03 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.51 1pwo h TYR 69 Cb 0.13 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.82 1pwo h TYR 69 CO 0.00 1.11 -0.21 1.33 -0.00 0.00 0.00 178.16 180.39 1pwo n VAL 70 N -3.62 0.00 -2.74 -2.88 0.24 -1.05 -2.22 118.33 106.06 1pwo n VAL 70 Ca -0.05 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.42 1pwo n VAL 70 Cb 0.89 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 34.25 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 -1.32 6.35 0.07 -1.34 3.84 0.14 -4.80 114.94 117.89 1pwo s ASN 71 Ca 0.03 -0.25 -0.31 0.00 0.21 0.00 0.00 52.86 52.55 1pwo s ASN 71 Cb 0.04 -2.48 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 1pwo s ASN 71 CO 0.20 -1.36 1.23 -0.89 -2.79 0.00 0.00 177.10 173.48 1pwo s THR 72 N 4.40 3.90 0.38 -5.21 2.01 -1.26 -2.33 115.64 117.54 1pwo s THR 72 Ca 0.34 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.73 1pwo s THR 72 Cb -0.11 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.55 1pwo s THR 72 CO 0.20 0.11 0.18 0.00 -0.69 0.00 0.00 174.62 174.43 1pwo n TYR 73 N 3.88 -0.20 -4.05 4.92 0.18 -1.26 -4.94 117.16 115.68 1pwo n TYR 73 Ca 0.09 -1.72 -0.35 0.00 1.88 0.00 0.00 57.90 57.81 1pwo n TYR 73 Cb 0.46 -0.29 -0.14 0.00 -0.38 0.00 0.00 39.34 38.98 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 -3.20 4.21 0.18 9.48 0.15 -1.26 -5.01 113.70 118.24 1pwo s SER 74 Ca 0.14 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 1pwo s SER 74 Cb -0.01 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.58 1pwo s SER 74 CO 0.09 0.01 0.30 -0.72 1.20 0.00 0.00 173.24 174.12 1pwo s TYR 75 N 1.27 0.46 -0.00 3.44 -0.85 -1.26 -1.22 117.35 119.20 1pwo s TYR 75 Ca 0.03 -0.81 0.02 0.00 -0.52 0.00 0.00 57.07 55.79 1pwo s TYR 75 Cb -0.14 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 1pwo s TYR 75 CO -0.03 -0.75 -0.08 0.34 -1.52 0.00 0.00 175.55 173.51 1pwo s ASP 76 N -2.99 0.91 -0.39 -0.18 -1.08 -0.01 -4.94 116.67 107.98 1pwo s ASP 76 Ca 0.20 -0.16 0.03 0.00 -0.52 0.00 0.00 52.55 52.10 1pwo s ASP 76 Cb 0.03 -0.10 0.11 0.00 -1.46 0.00 0.00 42.92 41.51 1pwo s ASP 76 CO 0.02 0.08 0.14 0.00 0.52 0.00 0.00 175.17 175.93 1pwo s THR 78 N 0.65 2.23 -1.29 0.00 2.01 -0.14 -4.72 115.64 114.37 1pwo s THR 78 Ca 0.13 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1pwo s THR 78 Cb -0.21 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1pwo s THR 78 CO -0.08 0.33 0.88 0.47 -0.69 0.00 0.00 174.62 175.53 1pwo n ASP 79 N 4.58 -2.24 -1.08 3.53 9.92 -1.26 -1.69 116.55 128.29 1pwo n ASP 79 Ca -0.18 -0.72 -0.13 0.00 -0.53 0.00 0.00 54.79 53.22 1pwo n ASP 79 Cb 0.47 -4.52 -0.05 0.00 -0.64 0.00 0.00 41.12 36.38 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 -1.46 1.26 3.29 0.44 0.00 -1.26 -5.00 105.19 102.46 1pwo n GLY 80 Ca -0.24 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.30 2.87 -0.14 1.61 1.02 -0.68 -4.72 119.74 116.40 1pwo s LYS 81 Ca 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 1pwo s LYS 81 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1pwo s LYS 81 CO 0.00 0.30 0.04 -0.51 -0.92 0.00 0.00 175.35 174.26 1pwo s LEU 82 N 0.06 3.72 -0.04 3.17 1.43 -1.26 -0.96 118.68 124.79 1pwo s LEU 82 Ca -0.09 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1pwo s LEU 82 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1pwo s LEU 82 CO 0.06 0.26 -0.01 0.42 0.23 0.00 0.00 176.35 177.30 1pwo s THR 83 N -0.13 0.27 0.02 5.49 -4.23 0.04 -4.98 115.64 112.11 1pwo s THR 83 Ca 0.06 0.05 -0.24 0.00 -1.18 0.00 0.00 61.69 60.38 1pwo s THR 83 Cb -0.12 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 1pwo s THR 83 CO 0.02 0.17 0.75 0.00 -0.54 0.00 0.00 174.62 175.02 1pwo n ASN 85 N 2.98 1.18 -4.47 0.00 3.02 -0.35 -4.97 115.26 112.65 1pwo n ASN 85 Ca -0.02 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.09 1pwo n ASN 85 Cb 0.50 1.17 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.41 -0.43 0.01 6.41 8.00 -1.22 -4.91 116.55 122.00 1pwo n ASP 86 Ca -0.18 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.36 1pwo n ASP 86 Cb 0.82 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.77 0.00 0.17 -1.24 10.64 -1.26 -4.80 117.38 121.66 1pwo n GLN 87 Ca 0.12 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 1pwo n GLN 87 Cb 0.34 -0.06 0.11 0.00 -0.86 0.00 0.00 30.24 29.77 1pwo n GLN 87 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 1pwo h LYS 88 N 0.00 0.00 -3.53 2.61 2.10 -2.06 -3.39 116.57 112.31 1pwo h LYS 88 Ca 0.00 0.00 -0.77 0.00 -2.00 0.00 0.00 60.65 57.88 1pwo h LYS 88 Cb 0.00 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.13 1pwo h LYS 88 CO 0.00 0.00 1.49 -3.47 -2.00 0.00 0.00 179.45 175.47 1pwo n ASP 89 N -2.91 5.50 -0.53 7.07 4.64 -1.26 -4.83 116.55 124.22 1pwo n ASP 89 Ca 0.03 -3.17 0.45 0.00 -1.38 0.00 0.00 54.79 50.72 1pwo n ASP 89 Cb 0.53 -1.43 0.75 0.00 -1.04 0.00 0.00 41.12 39.93 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 5.92 0.00 -0.04 -0.67 1.79 -1.91 0.14 116.57 121.80 1pwo h LYS 90 Ca 0.32 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.71 1pwo h LYS 90 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1pwo h LYS 90 CO 1.45 0.00 -0.26 0.00 -1.08 0.00 0.00 179.45 179.57 1pwo h LYS 92 N -0.30 1.11 -0.86 0.00 1.57 -1.11 -1.79 116.57 115.19 1pwo h LYS 92 Ca -0.02 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1pwo h LYS 92 Cb 0.93 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1pwo h LYS 92 CO 0.05 0.80 0.44 1.25 -0.57 0.00 0.00 179.45 181.42 1pwo h LEU 93 N 1.13 1.10 -0.36 2.94 5.85 -1.45 0.15 115.31 124.66 1pwo h LEU 93 Ca 0.29 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1pwo h LEU 93 Cb -0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1pwo h LEU 93 CO -0.05 0.90 0.06 0.15 -0.34 0.00 0.00 178.44 179.16 1pwo h PHE 94 N 1.21 0.64 -0.14 1.25 3.57 -0.90 -2.09 116.94 120.48 1pwo h PHE 94 Ca 0.30 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1pwo h PHE 94 Cb 0.08 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1pwo h PHE 94 CO 0.01 0.66 -0.38 0.82 -2.23 0.00 0.00 178.31 177.19 1pwo h ILE 95 N 0.44 1.30 -0.11 1.41 2.04 -1.09 -2.20 117.51 119.31 1pwo h ILE 95 Ca 0.11 -1.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.40 1pwo h ILE 95 Cb 0.36 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1pwo h ILE 95 CO 0.01 0.44 -0.37 0.00 0.00 0.00 0.00 178.15 178.23 1pwo h ASN 97 N 0.20 0.10 -0.39 0.00 -0.26 -1.03 -0.33 115.58 113.88 1pwo h ASN 97 Ca 0.02 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1pwo h ASN 97 Cb 0.75 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 1pwo h ASN 97 CO 0.06 0.97 0.26 0.00 -1.06 0.00 0.00 177.43 177.66 1pwo h ASP 99 N 0.53 0.90 -0.31 0.00 3.32 -1.47 -1.88 116.42 117.50 1pwo h ASP 99 Ca 0.14 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1pwo h ASP 99 Cb -0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1pwo h ASP 99 CO -0.03 1.20 0.09 -0.09 -1.72 0.00 0.00 179.24 178.69 1pwo h ARG 100 N 0.67 0.49 -0.37 3.56 2.43 -0.86 -0.14 114.38 120.16 1pwo h ARG 100 Ca 0.04 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1pwo h ARG 100 Cb 1.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1pwo h ARG 100 CO 0.10 0.55 0.19 1.15 -1.51 0.00 0.00 179.97 180.44 1pwo h THR 101 N 0.35 1.16 -0.48 0.20 2.02 -1.08 -1.84 112.91 113.24 1pwo h THR 101 Ca 0.10 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1pwo h THR 101 Cb 0.27 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1pwo h THR 101 CO -0.00 0.17 0.14 0.00 0.37 0.00 0.00 175.52 176.20 1pwo h ALA 102 N 1.04 0.64 -0.24 6.16 0.00 -1.24 0.13 119.26 125.75 1pwo h ALA 102 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1pwo h ALA 102 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pwo h ALA 102 CO -0.02 0.30 -0.13 0.00 0.00 0.00 0.00 179.25 179.40 1pwo h ALA 103 N 1.00 1.34 0.15 0.00 0.00 -0.89 -0.38 119.26 120.49 1pwo h ALA 103 Ca 0.15 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1pwo h ALA 103 Cb 0.29 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pwo h ALA 103 CO -0.00 0.45 -1.18 0.52 0.00 0.00 0.00 179.25 179.03 1pwo h MET 104 N 0.37 0.53 -0.72 0.00 2.07 -1.08 -3.10 114.93 113.00 1pwo h MET 104 Ca 0.07 -0.78 0.02 0.00 -2.07 0.00 0.00 59.70 56.94 1pwo h MET 104 Cb 0.46 0.27 -0.04 0.00 -1.87 0.00 0.00 31.60 30.42 1pwo h MET 104 CO 0.03 1.35 0.46 0.00 1.07 0.00 0.00 176.91 179.83 1pwo h PHE 106 N 0.93 1.12 -0.42 0.00 -1.00 -1.14 0.10 116.94 116.53 1pwo h PHE 106 Ca 0.28 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.94 1pwo h PHE 106 Cb -0.04 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.13 1pwo h PHE 106 CO -0.03 0.66 -0.32 0.00 -1.61 0.00 0.00 178.31 177.00 1pwo h ALA 107 N 1.46 0.60 -0.00 2.45 0.00 -1.29 -3.17 119.26 119.31 1pwo h ALA 107 Ca 0.36 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pwo h ALA 107 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1pwo h ALA 107 CO -0.11 0.66 -0.30 1.63 0.00 0.00 0.00 179.25 181.14 1pwo n LYS 108 N -4.09 0.12 -3.27 0.00 5.02 -0.77 -4.92 118.16 110.25 1pwo n LYS 108 Ca -0.01 -0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 1pwo n LYS 108 Cb 0.51 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1pwo n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pwo s ALA 109 N -2.91 3.49 -0.01 7.82 0.00 -0.01 -5.02 121.76 125.12 1pwo s ALA 109 Ca 0.15 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1pwo s ALA 109 Cb 0.18 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1pwo s ALA 109 CO 0.62 0.37 1.32 -2.14 0.00 0.00 0.00 175.76 175.93 1pwo s PRO 110 N -3.07 4.32 -0.40 0.00 0.02 -1.26 -4.93 135.00 129.68 1pwo s PRO 110 Ca 0.49 1.86 -0.18 0.00 0.02 0.00 0.00 61.00 63.19 1pwo s PRO 110 Cb -0.11 -3.54 0.01 0.00 0.02 0.00 0.00 34.50 30.88 1pwo s PRO 110 CO 0.22 -0.51 0.47 -0.47 -0.33 0.00 0.00 177.00 176.38 1pwo s TYR 111 N 2.20 3.16 -0.38 6.54 5.04 -1.26 -4.44 117.35 128.21 1pwo s TYR 111 Ca 0.61 -0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.00 1pwo s TYR 111 Cb -0.29 -2.93 0.07 0.00 0.35 0.00 0.00 41.96 39.17 1pwo s TYR 111 CO 0.25 -0.65 0.17 0.42 -1.34 0.00 0.00 175.55 174.40 1pwo s ILE 112 N 2.26 3.71 -1.06 3.14 1.01 -1.26 -4.97 121.20 124.02 1pwo s ILE 112 Ca 0.15 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1pwo s ILE 112 Cb -0.16 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1pwo s ILE 112 CO 0.14 -0.43 0.95 -0.62 0.00 0.00 0.00 174.94 174.99 1pwo n GLU 113 N 4.77 0.00 0.20 2.79 1.02 -1.26 0.56 120.64 128.71 1pwo n GLU 113 Ca -0.09 0.46 0.09 0.00 -0.02 0.00 0.00 57.16 57.59 1pwo n GLU 113 Cb 0.43 -1.51 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 1pwo n GLU 113 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwo h ALA 114 N 1.97 0.89 -0.55 0.62 0.00 -2.02 -3.06 119.26 117.12 1pwo h ALA 114 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pwo h ALA 114 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pwo h ALA 114 CO 0.00 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1pwo n ASN 115 N -3.19 5.48 -4.45 0.00 5.03 0.19 -4.81 115.26 113.50 1pwo n ASN 115 Ca 0.02 -2.87 -0.33 0.00 0.87 0.00 0.00 54.58 52.27 1pwo n ASN 115 Cb 0.57 -0.68 -0.13 0.00 -1.02 0.00 0.00 39.78 38.52 1pwo n ASN 115 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1pwo s ASN 116 N -0.74 4.11 -1.30 6.41 2.47 -1.16 -0.53 114.94 124.20 1pwo s ASN 116 Ca 0.52 -0.22 -0.04 0.00 0.42 0.00 0.00 52.86 53.54 1pwo s ASN 116 Cb 0.39 -1.16 0.01 0.00 -1.45 0.00 0.00 41.25 39.05 1pwo s ASN 116 CO 0.15 0.28 0.97 1.41 -3.72 0.00 0.00 177.10 176.19 1pwo n HIS 117 N 2.73 -2.29 -0.24 0.43 8.25 -0.32 -4.93 115.22 118.85 1pwo n HIS 117 Ca -0.18 0.93 -0.26 0.00 -0.26 0.00 0.00 57.72 57.96 1pwo n HIS 117 Cb 0.52 -4.78 0.25 0.00 1.12 0.00 0.00 29.99 27.10 1pwo n HIS 117 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1pwo n ILE 118 N -4.43 0.00 -4.30 1.59 2.08 -1.26 -5.01 119.36 108.03 1pwo n ILE 118 Ca -0.19 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 62.78 1pwo n ILE 118 Cb 0.63 -0.82 -0.11 0.00 -0.75 0.00 0.00 39.64 38.58 1pwo n ILE 118 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pwo s ASP 119 N -2.83 5.04 0.24 4.38 -1.08 -1.26 -5.02 116.67 116.14 1pwo s ASP 119 Ca 0.56 -0.05 -0.07 0.00 -0.52 0.00 0.00 52.55 52.47 1pwo s ASP 119 Cb -0.10 -1.80 0.39 0.00 -1.46 0.00 0.00 42.92 39.95 1pwo s ASP 119 CO 0.47 0.19 1.31 -2.65 0.52 0.00 0.00 175.17 175.01 1pwo n PRO 120 N 3.41 -0.08 -0.34 4.34 -0.02 -1.26 -0.15 135.00 140.91 1pwo n PRO 120 Ca -0.17 1.31 0.28 0.00 -2.02 0.00 0.00 63.50 62.89 1pwo n PRO 120 Cb 0.52 -1.96 0.59 0.00 -0.02 0.00 0.00 33.50 32.64 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 0.30 0.24 2.55 2.35 -2.01 1.36 115.58 120.38 1pwo h ASN 121 Ca 0.40 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1pwo h ASN 121 Cb 0.61 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1pwo h ASN 121 CO -0.86 0.03 0.00 0.54 -1.65 0.00 0.00 177.43 175.49 1pwo n ARG 122 N -4.51 0.15 -0.65 0.81 1.74 0.79 -2.84 116.66 112.15 1pwo n ARG 122 Ca 0.27 0.19 0.04 0.00 -0.77 0.00 0.00 57.85 57.57 1pwo n ARG 122 Cb 1.04 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 31.19 1pwo n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11