#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyh s PHE 3 N 0.00 3.42 0.19 4.78 0.40 -1.26 -5.05 117.98 120.46 2nyh s PHE 3 Ca 0.00 1.27 0.07 0.00 -0.60 0.00 0.00 56.93 57.67 2nyh s PHE 3 Cb 0.00 -3.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.04 2nyh s PHE 3 CO 0.00 -1.40 0.07 1.03 0.70 0.00 0.00 175.22 175.63 2nyh s ARG 4 N 0.91 2.64 0.50 0.44 0.52 -1.26 -5.14 118.95 117.55 2nyh s ARG 4 Ca 0.59 -1.05 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 2nyh s ARG 4 Cb -0.31 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.71 2nyh s ARG 4 CO 0.30 0.45 0.71 0.16 0.02 0.00 0.00 175.30 176.94 2nyh s ASP 5 N -3.19 5.51 0.39 0.23 -4.77 -1.26 -5.02 116.67 108.57 2nyh s ASP 5 Ca 0.30 0.04 0.28 0.00 -3.30 0.00 0.00 52.55 49.87 2nyh s ASP 5 Cb -0.09 -1.08 1.14 0.00 -1.09 0.00 0.00 42.92 41.80 2nyh s ASP 5 CO 0.21 -0.94 1.84 0.71 0.70 0.00 0.00 175.17 177.69 2nyh h THR 6 N 0.25 0.00 -0.05 2.11 1.35 -2.00 -2.47 112.91 112.10 2nyh h THR 6 Ca -0.43 -0.38 0.01 0.00 -0.55 0.00 0.00 66.41 65.06 2nyh h THR 6 Cb 1.28 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2nyh h THR 6 CO 0.53 0.00 0.19 0.77 -0.25 0.00 0.00 175.52 176.76 2nyh h SER 7 N 0.00 0.00 -0.05 5.36 4.64 -2.04 0.80 113.55 122.27 2nyh h SER 7 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2nyh h SER 7 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2nyh h SER 7 CO 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.00 2nyh h ALA 8 N 1.67 1.73 -2.29 5.18 0.00 -1.85 -3.41 119.26 120.29 2nyh h ALA 8 Ca 0.02 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 2nyh h ALA 8 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2nyh h ALA 8 CO -0.00 -0.07 0.48 0.42 0.00 0.00 0.00 179.25 180.08 2nyh s ILE 9 N -4.77 4.84 0.00 0.00 1.01 0.27 -4.43 121.20 118.12 2nyh s ILE 9 Ca -0.05 1.61 -0.21 0.00 0.00 0.00 0.00 60.65 62.00 2nyh s ILE 9 Cb 0.16 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.29 2nyh s ILE 9 CO 0.59 -0.06 1.14 0.00 0.00 0.00 0.00 174.94 176.61 2nyh h ALA 10 N 7.59 0.11 -2.63 9.38 0.00 -0.97 -3.47 119.26 129.27 2nyh h ALA 10 Ca -0.24 -0.49 0.13 0.00 0.00 0.00 0.00 54.91 54.31 2nyh h ALA 10 Cb 1.10 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2nyh h ALA 10 CO 0.87 0.24 0.39 -1.54 0.00 0.00 0.00 179.25 179.21 2nyh s SER 11 N -6.51 -0.17 0.08 0.00 1.04 -1.19 -4.79 113.70 102.16 2nyh s SER 11 Ca -0.14 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 55.82 2nyh s SER 11 Cb 0.03 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2nyh s SER 11 CO 0.79 -1.12 -0.25 0.26 0.98 0.00 0.00 173.24 173.90 2nyh s TRP 12 N -3.31 2.13 0.07 5.02 0.52 0.88 -0.01 118.94 124.24 2nyh s TRP 12 Ca 0.13 -0.40 0.10 0.00 0.02 0.00 0.00 56.10 55.95 2nyh s TRP 12 Cb -0.03 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 2nyh s TRP 12 CO 0.05 0.20 -0.25 -1.01 0.02 0.00 0.00 176.95 175.95 2nyh s HIS 13 N -0.93 2.36 0.00 -1.98 3.76 -0.51 -1.58 115.29 116.41 2nyh s HIS 13 Ca 0.11 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.70 2nyh s HIS 13 Cb -0.10 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 2nyh s HIS 13 CO 0.04 0.22 -0.20 0.00 -0.85 0.00 0.00 174.74 173.94 2nyh s ALA 14 N -0.91 1.67 -0.19 -1.40 0.00 -0.11 -1.49 121.76 119.33 2nyh s ALA 14 Ca 0.13 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2nyh s ALA 14 Cb -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.66 2nyh s ALA 14 CO 0.04 0.40 -0.08 -1.01 0.00 0.00 0.00 175.76 175.11 2nyh s HIS 15 N -0.55 2.09 -0.26 0.00 3.76 0.16 -0.08 115.29 120.41 2nyh s HIS 15 Ca 0.08 -1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 53.33 2nyh s HIS 15 Cb -0.08 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.13 2nyh s HIS 15 CO -0.00 -0.69 1.10 0.08 -0.85 0.00 0.00 174.74 174.38 2nyh s VAL 16 N 1.51 4.53 -0.06 -0.90 1.01 -0.08 -1.13 120.40 125.28 2nyh s VAL 16 Ca -0.01 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 2nyh s VAL 16 Cb -0.16 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2nyh s VAL 16 CO -0.08 -0.29 0.26 -0.31 0.00 0.00 0.00 175.10 174.68 2nyh s TYR 17 N 3.47 3.66 0.34 5.22 1.51 -0.32 -2.22 117.35 129.01 2nyh s TYR 17 Ca 0.47 0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 57.14 2nyh s TYR 17 Cb -0.15 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2nyh s TYR 17 CO 0.11 0.70 0.66 -0.59 -1.11 0.00 0.00 175.55 175.32 2nyh s PHE 18 N -1.06 0.36 0.07 2.71 -0.71 -0.29 -4.09 117.98 114.96 2nyh s PHE 18 Ca 0.19 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 2nyh s PHE 18 Cb -0.14 0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 42.17 2nyh s PHE 18 CO 0.08 -1.35 0.08 -0.40 -1.34 0.00 0.00 175.22 172.29 2nyh n ASP 19 N -1.17 -0.21 -0.35 1.98 5.68 -1.26 -2.27 116.55 118.95 2nyh n ASP 19 Ca -0.05 -1.39 0.06 0.00 -0.50 0.00 0.00 54.79 52.92 2nyh n ASP 19 Cb 0.60 0.42 0.22 0.00 -1.14 0.00 0.00 41.12 41.23 2nyh n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nyh h ALA 20 N 1.40 1.45 -0.12 2.12 0.00 -2.00 -0.19 119.26 121.92 2nyh h ALA 20 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2nyh h ALA 20 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nyh h ALA 20 CO 0.07 0.21 -0.20 0.66 0.00 0.00 0.00 179.25 179.99 2nyh h SER 21 N 0.96 0.20 -0.33 0.00 4.64 -2.05 -3.18 113.55 113.79 2nyh h SER 21 Ca 0.48 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2nyh h SER 21 Cb 0.46 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2nyh h SER 21 CO -0.26 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.57 2nyh n SER 22 N -4.22 3.21 -0.17 4.97 3.41 -0.59 -4.70 113.62 115.53 2nyh n SER 22 Ca -0.01 -2.27 -0.06 0.00 -0.26 0.00 0.00 58.87 56.28 2nyh n SER 22 Cb 0.31 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2nyh n SER 22 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nyh h ARG 23 N 2.01 0.57 -0.36 4.33 2.43 -1.05 -0.52 114.38 121.78 2nyh h ARG 23 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2nyh h ARG 23 Cb 0.93 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2nyh h ARG 23 CO 0.06 0.38 0.19 0.22 -1.51 0.00 0.00 179.97 179.31 2nyh h ASP 24 N 0.59 0.46 -0.62 -3.80 3.58 -1.85 -0.01 116.42 114.78 2nyh h ASP 24 Ca 0.20 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.57 2nyh h ASP 24 Cb 0.02 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2nyh h ASP 24 CO -0.09 0.44 0.38 0.00 -2.88 0.00 0.00 179.24 177.08 2nyh h ALA 25 N 1.04 0.80 -0.75 -0.78 0.00 -1.78 -0.55 119.26 117.24 2nyh h ALA 25 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2nyh h ALA 25 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2nyh h ALA 25 CO -0.02 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.68 2nyh h ALA 26 N 1.27 0.98 -0.51 0.00 0.00 -0.64 -1.68 119.26 118.69 2nyh h ALA 26 Ca 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2nyh h ALA 26 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2nyh h ALA 26 CO -0.11 0.57 0.08 2.35 0.00 0.00 0.00 179.25 182.14 2nyh h TRP 27 N 1.07 0.89 -0.49 0.00 2.91 -0.74 -1.08 115.95 118.52 2nyh h TRP 27 Ca 0.26 -0.12 0.02 0.00 1.13 0.00 0.00 58.89 60.17 2nyh h TRP 27 Cb 0.16 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 2nyh h TRP 27 CO 0.01 0.81 0.30 1.15 -1.03 0.00 0.00 178.44 179.68 2nyh h THR 28 N 0.72 1.08 -0.79 2.65 2.02 -0.85 -0.05 112.91 117.68 2nyh h THR 28 Ca 0.15 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 2nyh h THR 28 Cb 0.39 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2nyh h THR 28 CO 0.01 0.11 0.36 0.25 0.37 0.00 0.00 175.52 176.62 2nyh h LEU 29 N 0.61 1.05 0.29 2.58 5.85 -1.23 -1.41 115.31 123.05 2nyh h LEU 29 Ca 0.19 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2nyh h LEU 29 Cb -0.02 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.74 2nyh h LEU 29 CO -0.07 0.91 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.70 2nyh h ARG 30 N 1.14 -0.39 -0.92 1.25 2.43 -0.48 0.03 114.38 117.43 2nyh h ARG 30 Ca 0.27 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.62 2nyh h ARG 30 Cb 0.15 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 2nyh h ARG 30 CO -0.03 -0.26 0.59 0.93 -1.51 0.00 0.00 179.97 179.69 2nyh h GLU 31 N -0.41 0.67 0.00 0.20 5.08 -0.83 -1.51 114.58 117.79 2nyh h GLU 31 Ca -0.04 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 2nyh h GLU 31 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2nyh h GLU 31 CO 0.06 0.44 -0.94 1.96 -1.00 0.00 0.00 179.01 179.53 2nyh h GLN 32 N 0.69 0.37 -0.24 2.33 1.08 -0.74 -1.77 115.11 116.83 2nyh h GLN 32 Ca 0.47 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2nyh h GLN 32 Cb 0.79 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2nyh h GLN 32 CO -0.23 1.08 0.13 0.82 -0.95 0.00 0.00 178.83 179.68 2nyh h ILE 33 N 0.21 1.12 -0.52 2.54 2.04 -0.72 0.77 117.51 122.95 2nyh h ILE 33 Ca -0.07 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.53 2nyh h ILE 33 Cb 1.57 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 2nyh h ILE 33 CO 0.16 0.12 0.12 -0.33 0.00 0.00 0.00 178.15 178.22 2nyh h GLU 34 N 0.27 0.25 -0.06 2.37 4.39 -1.17 -2.70 114.58 117.92 2nyh h GLU 34 Ca 0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2nyh h GLU 34 Cb 0.08 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2nyh h GLU 34 CO -0.01 0.16 -0.04 0.00 -1.16 0.00 0.00 179.01 177.96 2nyh h ALA 35 N 1.40 0.08 -0.74 3.43 0.00 -1.14 -0.37 119.26 121.92 2nyh h ALA 35 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nyh h ALA 35 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2nyh h ALA 35 CO -0.33 -0.15 0.37 1.25 0.00 0.00 0.00 179.25 180.38 2nyh h HIS 36 N -0.28 1.05 -0.56 0.00 -0.00 -0.77 -2.60 115.15 112.00 2nyh h HIS 36 Ca 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2nyh h HIS 36 Cb 0.50 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2nyh h HIS 36 CO 0.08 0.77 0.00 0.91 -0.00 0.00 0.00 177.93 179.68 2nyh n TRP 37 N -4.42 0.91 -3.45 5.26 8.01 -1.03 -4.98 117.44 117.75 2nyh n TRP 37 Ca 0.06 -0.55 -0.25 0.00 -1.31 0.00 0.00 57.50 55.45 2nyh n TRP 37 Cb 0.12 -0.08 0.02 0.00 -2.01 0.00 0.00 31.31 29.36 2nyh n TRP 37 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2nyh n SER 38 N 1.03 -4.85 -0.88 -0.99 7.64 -0.29 -1.51 113.62 113.78 2nyh n SER 38 Ca 0.20 -0.49 -0.11 0.00 1.01 0.00 0.00 58.87 59.48 2nyh n SER 38 Cb 0.63 -3.92 -0.05 0.00 -1.01 0.00 0.00 64.21 59.86 2nyh n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nyh n GLY 39 N -1.47 1.15 0.01 0.23 0.00 -0.40 -4.91 105.19 99.81 2nyh n GLY 39 Ca -0.02 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.61 2nyh n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nyh n LYS 40 N -2.64 0.05 -3.60 1.61 5.02 -0.57 -4.79 118.16 113.25 2nyh n LYS 40 Ca -0.11 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.83 2nyh n LYS 40 Cb 0.38 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2nyh n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nyh s LEU 41 N -3.21 4.27 0.25 -0.35 1.43 -1.26 -5.05 118.68 114.76 2nyh s LEU 41 Ca 0.10 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 53.39 2nyh s LEU 41 Cb 0.17 -2.31 -0.11 0.00 0.03 0.00 0.00 46.19 43.97 2nyh s LEU 41 CO 0.69 0.16 1.60 -1.58 0.23 0.00 0.00 176.35 177.45 2nyh s GLN 42 N 0.18 4.15 -0.04 1.70 0.74 -1.25 -4.92 119.66 120.22 2nyh s GLN 42 Ca 0.15 2.52 -0.00 0.00 0.05 0.00 0.00 55.36 58.08 2nyh s GLN 42 Cb -0.13 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 30.94 2nyh s GLN 42 CO 0.03 -0.63 -0.00 -1.17 -0.55 0.00 0.00 175.29 172.97 2nyh s LEU 43 N 0.14 0.98 0.79 3.68 2.96 -1.26 -1.90 118.68 124.08 2nyh s LEU 43 Ca 0.66 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 2nyh s LEU 43 Cb -0.47 -0.31 0.16 0.00 0.50 0.00 0.00 46.19 46.07 2nyh s LEU 43 CO 0.41 -0.12 1.09 -0.83 -1.32 0.00 0.00 176.35 175.57 2nyh s GLY 44 N 1.30 1.76 0.59 7.98 0.00 0.12 -5.00 107.32 114.08 2nyh s GLY 44 Ca -0.06 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 42.74 2nyh s GLY 44 CO -0.02 -1.08 1.16 0.50 0.00 0.00 0.00 173.10 173.66 2nyh s ARG 45 N -5.33 3.04 -1.14 2.90 0.52 -1.26 -4.58 118.95 113.10 2nyh s ARG 45 Ca 0.69 1.68 -0.21 0.00 -0.52 0.00 0.00 55.73 57.38 2nyh s ARG 45 Cb -0.04 -1.96 0.06 0.00 0.52 0.00 0.00 34.95 33.53 2nyh s ARG 45 CO 0.47 -1.11 1.57 0.12 0.02 0.00 0.00 175.30 176.37 2nyh s PHE 46 N -1.79 2.63 -0.19 -0.53 5.36 -1.26 -4.35 117.98 117.85 2nyh s PHE 46 Ca 0.74 -1.17 -0.29 0.00 -0.96 0.00 0.00 56.93 55.25 2nyh s PHE 46 Cb -0.26 -4.72 0.00 0.00 -0.34 0.00 0.00 43.02 37.69 2nyh s PHE 46 CO 0.33 -1.88 1.01 -1.01 -1.46 0.00 0.00 175.22 172.21 2nyh s HIS 47 N 4.69 3.40 -0.66 10.12 3.76 0.07 -4.92 115.29 131.74 2nyh s HIS 47 Ca 0.49 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.90 2nyh s HIS 47 Cb 0.02 -3.23 0.41 0.00 1.11 0.00 0.00 32.58 30.89 2nyh s HIS 47 CO -0.02 -0.39 1.80 0.39 -0.85 0.00 0.00 174.74 175.67 2nyh n GLU 48 N 5.84 2.93 -3.48 1.40 1.02 -1.26 -1.77 120.64 125.32 2nyh n GLU 48 Ca 0.10 -3.65 -0.11 0.00 -0.02 0.00 0.00 57.16 53.48 2nyh n GLU 48 Cb 0.47 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 2nyh n GLU 48 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2nyh s ARG 49 N -3.86 1.02 0.07 3.49 1.70 -1.26 -4.97 118.95 115.14 2nyh s ARG 49 Ca 0.56 -0.28 -0.31 0.00 -0.47 0.00 0.00 55.73 55.23 2nyh s ARG 49 Cb 0.46 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 35.24 2nyh s ARG 49 CO -0.18 -0.43 1.30 -2.14 -1.08 0.00 0.00 175.30 172.76 2nyh s PRO 50 N -3.03 4.37 0.08 3.89 0.02 -1.26 -4.36 135.00 134.71 2nyh s PRO 50 Ca 0.01 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.01 2nyh s PRO 50 Cb -0.01 -3.34 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2nyh s PRO 50 CO -0.08 -0.37 -0.19 0.14 -0.33 0.00 0.00 177.00 176.18 2nyh s VAL 51 N 1.26 1.51 0.00 3.83 -7.23 -1.22 -4.98 120.40 113.58 2nyh s VAL 51 Ca 0.61 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2nyh s VAL 51 Cb -0.32 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.24 2nyh s VAL 51 CO 0.29 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2nyh n GLY 52 N 1.33 3.12 0.00 2.32 0.00 -1.26 -0.69 105.19 110.01 2nyh n GLY 52 Ca -0.19 0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.99 2nyh n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nyh n PRO 53 N 14.00 0.97 -3.15 1.61 -0.04 -1.26 -4.76 135.00 142.37 2nyh n PRO 53 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2nyh n PRO 53 Cb 0.00 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 2nyh n PRO 53 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2nyh s HIS 54 N -2.00 3.29 -0.08 0.54 3.76 0.13 -0.61 115.29 120.32 2nyh s HIS 54 Ca 0.44 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 2nyh s HIS 54 Cb 0.20 -2.80 0.10 0.00 1.11 0.00 0.00 32.58 31.19 2nyh s HIS 54 CO 0.34 -0.28 1.33 -0.35 -0.85 0.00 0.00 174.74 174.93 2nyh n PRO 55 N 5.54 1.22 -2.88 8.40 -0.04 -1.26 -3.45 135.00 142.53 2nyh n PRO 55 Ca -0.02 -0.50 -0.36 0.00 -0.04 0.00 0.00 63.50 62.59 2nyh n PRO 55 Cb 0.49 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2nyh n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2nyh s TRP 57 N -0.55 3.58 0.13 0.54 0.51 -0.96 -4.80 118.94 117.39 2nyh s TRP 57 Ca 0.09 1.63 -0.23 0.00 -2.12 0.00 0.00 56.10 55.48 2nyh s TRP 57 Cb 0.08 -2.82 0.06 0.00 -0.81 0.00 0.00 33.47 29.98 2nyh s TRP 57 CO 0.01 0.16 0.57 -1.54 -0.51 0.00 0.00 176.95 175.64 2nyh s SER 58 N -1.79 -0.52 0.03 2.95 1.04 -0.73 -1.14 113.70 113.53 2nyh s SER 58 Ca 0.52 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2nyh s SER 58 Cb -0.16 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2nyh s SER 58 CO 0.20 -0.90 -0.03 -0.72 0.98 0.00 0.00 173.24 172.76 2nyh s TYR 59 N -3.45 0.34 -0.09 5.02 1.13 -0.94 -0.75 117.35 118.61 2nyh s TYR 59 Ca -0.00 -0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 55.00 2nyh s TYR 59 Cb -0.00 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 2nyh s TYR 59 CO -0.10 -0.21 0.08 -1.14 -2.51 0.00 0.00 175.55 171.67 2nyh s GLN 60 N -1.89 3.21 -0.03 -3.49 0.74 -1.26 -0.90 119.66 116.04 2nyh s GLN 60 Ca -0.12 -0.29 0.06 0.00 0.05 0.00 0.00 55.36 55.06 2nyh s GLN 60 Cb -0.07 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 2nyh s GLN 60 CO -0.02 0.73 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.72 2nyh s LEU 61 N -1.09 2.02 -0.02 3.68 1.02 0.89 -0.70 118.68 124.48 2nyh s LEU 61 Ca 0.16 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.98 2nyh s LEU 61 Cb -0.12 -1.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.94 2nyh s LEU 61 CO 0.05 0.23 -0.25 0.00 0.02 0.00 0.00 176.35 176.40 2nyh s ALA 62 N -0.31 2.08 0.28 4.21 0.00 -0.80 -0.94 121.76 126.29 2nyh s ALA 62 Ca 0.03 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 2nyh s ALA 62 Cb -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2nyh s ALA 62 CO 0.01 0.51 0.70 -0.59 0.00 0.00 0.00 175.76 176.39 2nyh s PHE 63 N -0.59 -0.12 0.37 0.00 -0.71 -0.61 -3.87 117.98 112.45 2nyh s PHE 63 Ca 0.10 -0.34 0.05 0.00 -1.04 0.00 0.00 56.93 55.70 2nyh s PHE 63 Cb -0.10 0.67 -0.00 0.00 -1.21 0.00 0.00 43.02 42.38 2nyh s PHE 63 CO -0.01 -1.24 0.53 0.95 -1.34 0.00 0.00 175.22 174.11 2nyh s THR 64 N -3.84 3.87 0.35 -4.49 -4.23 -1.26 -0.08 115.64 105.96 2nyh s THR 64 Ca 0.12 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 59.82 2nyh s THR 64 Cb -0.05 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.75 2nyh s THR 64 CO 0.07 -0.16 1.88 -0.61 -0.54 0.00 0.00 174.62 175.26 2nyh h GLN 65 N 0.75 0.69 0.00 3.99 5.75 -1.91 0.67 115.11 125.05 2nyh h GLN 65 Ca -0.45 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2nyh h GLN 65 Cb 1.26 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2nyh h GLN 65 CO 0.52 0.46 0.00 0.39 -2.65 0.00 0.00 178.83 177.55 2nyh n GLU 66 N -4.55 0.18 -0.10 1.69 1.02 -1.26 -2.14 120.64 115.48 2nyh n GLU 66 Ca 0.17 0.42 0.07 0.00 -0.02 0.00 0.00 57.16 57.80 2nyh n GLU 66 Cb 0.44 -1.85 0.12 0.00 -0.02 0.00 0.00 31.44 30.13 2nyh n GLU 66 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2nyh n GLN 67 N -2.20 1.83 -0.05 3.49 6.02 0.17 -4.75 117.38 121.89 2nyh n GLN 67 Ca 0.02 -1.75 -0.11 0.00 -0.01 0.00 0.00 57.00 55.14 2nyh n GLN 67 Cb 0.22 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.11 2nyh n GLN 67 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2nyh h PHE 68 N 2.78 0.30 -0.29 1.08 3.57 -0.87 -1.61 116.94 121.90 2nyh h PHE 68 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2nyh h PHE 68 Cb 0.70 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2nyh h PHE 68 CO 0.14 0.46 0.19 0.00 -2.23 0.00 0.00 178.31 176.86 2nyh h ALA 69 N 0.80 0.37 0.55 2.41 0.00 -1.86 0.12 119.26 121.65 2nyh h ALA 69 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2nyh h ALA 69 Cb 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nyh h ALA 69 CO 0.00 -0.15 -0.26 0.22 0.00 0.00 0.00 179.25 179.06 2nyh h ASP 70 N 0.39 -0.63 -0.09 0.00 3.58 -1.88 -0.47 116.42 117.33 2nyh h ASP 70 Ca 0.11 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2nyh h ASP 70 Cb -0.03 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 2nyh h ASP 70 CO -0.02 -0.45 0.02 -0.07 -2.88 0.00 0.00 179.24 175.84 2nyh h LEU 71 N -0.74 0.13 -0.41 2.28 4.07 -1.27 -0.94 115.31 118.44 2nyh h LEU 71 Ca -0.08 -0.22 -0.11 0.00 0.08 0.00 0.00 57.88 57.56 2nyh h LEU 71 Cb 0.57 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2nyh h LEU 71 CO 0.12 0.31 -0.16 0.58 -1.08 0.00 0.00 178.44 178.22 2nyh h VAL 72 N -0.06 1.28 -0.41 1.22 2.07 -1.06 0.12 116.25 119.41 2nyh h VAL 72 Ca 0.03 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.33 2nyh h VAL 72 Cb 0.23 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2nyh h VAL 72 CO -0.00 0.43 0.05 1.23 0.02 0.00 0.00 177.57 179.30 2nyh h GLY 73 N 0.64 0.45 1.04 2.17 0.00 -1.07 0.78 103.07 107.07 2nyh h GLY 73 Ca 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 2nyh h GLY 73 CO 0.05 -0.07 -0.08 -0.25 0.00 0.00 0.00 176.54 176.19 2nyh h TRP 74 N 0.16 1.02 -0.37 5.60 7.01 -0.88 -1.83 115.95 126.66 2nyh h TRP 74 Ca 0.20 -0.21 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 2nyh h TRP 74 Cb 0.26 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2nyh h TRP 74 CO -0.23 0.98 -0.16 -0.07 -2.79 0.00 0.00 178.44 176.16 2nyh h LEU 75 N 0.76 0.68 -0.87 0.65 3.38 -0.58 -1.14 115.31 118.19 2nyh h LEU 75 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2nyh h LEU 75 Cb 0.63 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2nyh h LEU 75 CO 0.04 0.85 0.43 0.74 0.09 0.00 0.00 178.44 180.59 2nyh h THR 76 N 0.61 1.26 -0.03 0.22 2.02 -0.51 -0.57 112.91 115.91 2nyh h THR 76 Ca 0.10 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 2nyh h THR 76 Cb 0.62 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2nyh h THR 76 CO 0.04 0.31 -0.66 -0.07 0.37 0.00 0.00 175.52 175.52 2nyh h LEU 77 N 1.23 0.17 -2.58 2.58 3.38 -0.97 -3.38 115.31 115.74 2nyh h LEU 77 Ca 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2nyh h LEU 77 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2nyh h LEU 77 CO -0.04 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.86 2nyh n ASN 78 N -3.81 1.67 0.22 -0.43 3.02 -0.47 -4.67 115.26 110.80 2nyh n ASN 78 Ca -0.02 -1.80 0.11 0.00 -0.03 0.00 0.00 54.58 52.84 2nyh n ASN 78 Cb 0.65 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.20 2nyh n ASN 78 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2nyh h HIS 79 N 0.00 0.00 0.00 3.10 2.07 -1.29 -3.49 115.15 115.54 2nyh h HIS 79 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2nyh h HIS 79 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 2nyh h HIS 79 CO 0.00 0.18 0.00 0.41 -3.07 0.00 0.00 177.93 175.45 2nyh n GLY 80 N 0.49 2.03 0.64 6.13 0.00 -1.26 -2.15 105.19 111.08 2nyh n GLY 80 Ca 0.01 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.68 2nyh n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyh n ALA 81 N 10.16 2.51 -2.68 4.61 0.00 -1.26 -4.89 120.51 128.96 2nyh n ALA 81 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 2nyh n ALA 81 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2nyh n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nyh s LEU 82 N -1.59 4.22 0.31 0.00 1.43 -0.91 -5.03 118.68 117.10 2nyh s LEU 82 Ca 0.33 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 2nyh s LEU 82 Cb 0.18 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.89 2nyh s LEU 82 CO 0.27 -0.42 1.15 -1.81 0.23 0.00 0.00 176.35 175.78 2nyh s ASP 83 N 1.10 7.05 -0.10 2.29 1.01 -1.26 -4.81 116.67 121.96 2nyh s ASP 83 Ca 0.44 2.37 0.02 0.00 0.71 0.00 0.00 52.55 56.09 2nyh s ASP 83 Cb -0.18 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.14 2nyh s ASP 83 CO 0.16 -0.30 -0.16 -0.63 0.21 0.00 0.00 175.17 174.45 2nyh s ILE 84 N -1.20 1.49 -0.23 0.77 1.01 -0.44 -1.17 121.20 121.42 2nyh s ILE 84 Ca 0.47 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 2nyh s ILE 84 Cb -0.33 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2nyh s ILE 84 CO 0.43 0.44 0.44 0.12 0.00 0.00 0.00 174.94 176.36 2nyh s PHE 85 N 0.87 3.33 0.05 3.97 5.36 -0.28 -0.62 117.98 130.65 2nyh s PHE 85 Ca -0.09 0.60 0.08 0.00 -0.96 0.00 0.00 56.93 56.56 2nyh s PHE 85 Cb -0.15 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2nyh s PHE 85 CO 0.00 -0.12 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.90 2nyh s LEU 86 N 1.72 2.18 -0.07 6.12 1.02 0.62 0.40 118.68 130.67 2nyh s LEU 86 Ca 0.19 -0.57 -0.24 0.00 0.02 0.00 0.00 54.13 53.54 2nyh s LEU 86 Cb -0.15 -1.10 0.05 0.00 0.02 0.00 0.00 46.19 45.01 2nyh s LEU 86 CO 0.09 0.19 0.55 -1.38 0.02 0.00 0.00 176.35 175.82 2nyh s HIS 87 N -0.83 -0.51 0.70 0.29 -3.43 -0.56 -0.42 115.29 110.54 2nyh s HIS 87 Ca 0.09 0.94 -0.11 0.00 -0.80 0.00 0.00 55.06 55.19 2nyh s HIS 87 Cb -0.09 0.28 0.01 0.00 -1.43 0.00 0.00 32.58 31.35 2nyh s HIS 87 CO 0.02 -0.49 1.06 -1.25 -2.00 0.00 0.00 174.74 172.09 2nyh s PRO 88 N -0.96 2.87 -0.26 -0.38 0.04 -1.26 -1.42 135.00 133.64 2nyh s PRO 88 Ca -0.10 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 2nyh s PRO 88 Cb -0.02 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2nyh s PRO 88 CO 0.07 -1.12 -0.07 -0.80 0.04 0.00 0.00 177.00 175.12 2nyh s ASN 89 N -3.89 4.39 0.00 6.66 0.01 0.99 -4.81 114.94 118.28 2nyh s ASN 89 Ca 0.58 -1.06 0.06 0.00 -0.71 0.00 0.00 52.86 51.73 2nyh s ASN 89 Cb -0.14 -1.64 0.05 0.00 0.41 0.00 0.00 41.25 39.94 2nyh s ASN 89 CO 0.55 -0.16 0.70 0.35 -1.51 0.00 0.00 177.10 177.02 2nyh n THR 90 N 4.60 0.05 -0.06 1.60 -2.24 -1.26 -0.39 114.28 116.58 2nyh n THR 90 Ca -0.16 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2nyh n THR 90 Cb 0.45 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2nyh n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nyh n GLY 91 N 0.30 0.62 2.60 3.38 0.00 -1.26 -4.87 105.19 105.96 2nyh n GLY 91 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2nyh n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nyh s ASP 92 N -2.79 3.01 0.18 1.61 -1.08 -1.26 -5.03 116.67 111.32 2nyh s ASP 92 Ca 0.00 -2.89 -0.13 0.00 -0.52 0.00 0.00 52.55 49.01 2nyh s ASP 92 Cb 0.00 -0.83 0.18 0.00 -1.46 0.00 0.00 42.92 40.81 2nyh s ASP 92 CO 0.00 -0.21 1.71 0.00 0.52 0.00 0.00 175.17 177.19 2nyh h ALA 93 N 6.22 0.52 -0.08 3.66 0.00 -1.96 0.23 119.26 127.85 2nyh h ALA 93 Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2nyh h ALA 93 Cb 0.90 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2nyh h ALA 93 CO 0.45 -0.33 0.04 1.25 0.00 0.00 0.00 179.25 180.66 2nyh h LEU 94 N 0.21 0.09 -0.46 0.00 5.85 -1.95 -2.01 115.31 117.04 2nyh h LEU 94 Ca 0.24 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2nyh h LEU 94 Cb 0.33 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2nyh h LEU 94 CO -0.33 0.12 0.17 -0.09 -0.34 0.00 0.00 178.44 177.98 2nyh h ARG 95 N 0.05 0.34 -0.34 1.25 2.43 -1.89 0.76 114.38 116.98 2nyh h ARG 95 Ca 0.03 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2nyh h ARG 95 Cb 0.05 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 2nyh h ARG 95 CO -0.00 0.23 0.08 -0.44 -1.51 0.00 0.00 179.97 178.32 2nyh h ASP 96 N 0.35 0.03 0.36 -3.80 3.32 -0.77 0.11 116.42 116.03 2nyh h ASP 96 Ca 0.21 0.05 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 2nyh h ASP 96 Cb 0.20 0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2nyh h ASP 96 CO -0.21 0.06 -1.09 0.45 -1.72 0.00 0.00 179.24 176.72 2nyh h HIS 97 N 0.20 0.68 -0.04 4.55 3.86 -1.14 -1.18 115.15 122.08 2nyh h HIS 97 Ca 0.16 -0.41 -0.11 0.00 -1.16 0.00 0.00 60.37 58.84 2nyh h HIS 97 Cb 0.17 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.59 2nyh h HIS 97 CO -0.18 1.26 -0.42 -0.09 0.86 0.00 0.00 177.93 179.37 2nyh h ARG 98 N 0.20 0.36 0.00 2.45 2.43 -0.79 -3.37 114.38 115.67 2nyh h ARG 98 Ca -0.12 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2nyh h ARG 98 Cb 1.76 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2nyh h ARG 98 CO 0.19 0.99 -1.58 -0.25 -1.51 0.00 0.00 179.97 177.82 2nyh n ASP 99 N -4.35 2.24 -0.32 -3.80 8.00 0.37 -4.64 116.55 114.05 2nyh n ASP 99 Ca -0.09 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.49 2nyh n ASP 99 Cb 0.57 1.46 0.17 0.00 -0.02 0.00 0.00 41.12 43.30 2nyh n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nyh n ALA 100 N -1.98 2.89 -1.94 2.24 0.00 -0.45 -5.03 120.51 116.23 2nyh n ALA 100 Ca -0.04 -2.92 -0.42 0.00 0.00 0.00 0.00 53.44 50.06 2nyh n ALA 100 Cb 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 2nyh n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nyh s ALA 101 N -3.00 3.76 0.02 0.00 0.00 -1.17 -4.22 121.76 117.15 2nyh s ALA 101 Ca 0.34 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.72 2nyh s ALA 101 Cb 0.32 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2nyh s ALA 101 CO -0.02 -0.81 -0.22 0.08 0.00 0.00 0.00 175.76 174.79 2nyh s VAL 102 N 1.31 1.80 -0.07 0.00 1.01 0.44 -5.01 120.40 119.87 2nyh s VAL 102 Ca 0.70 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2nyh s VAL 102 Cb -0.43 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2nyh s VAL 102 CO 0.31 0.35 -0.08 0.26 0.00 0.00 0.00 175.10 175.94 2nyh s TRP 103 N -0.69 1.23 -0.38 5.22 0.52 -1.26 -0.28 118.94 123.29 2nyh s TRP 103 Ca 0.09 -0.49 -0.18 0.00 0.02 0.00 0.00 56.10 55.54 2nyh s TRP 103 Cb -0.09 -1.00 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 2nyh s TRP 103 CO 0.01 -0.33 0.50 0.42 0.02 0.00 0.00 176.95 177.57 2nyh s ILE 104 N 1.14 5.01 0.00 2.03 1.01 0.21 -4.72 121.20 125.89 2nyh s ILE 104 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2nyh s ILE 104 Cb -0.14 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2nyh s ILE 104 CO -0.01 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.21 2nyh n GLY 105 N 4.94 1.08 3.15 6.18 0.00 -1.26 -1.33 105.19 117.95 2nyh n GLY 105 Ca -0.05 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 2nyh n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nyh s HIS 106 N 0.00 1.12 0.48 1.61 3.76 -1.26 -5.09 115.29 115.92 2nyh s HIS 106 Ca 0.00 -0.46 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 2nyh s HIS 106 Cb 0.00 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 2nyh s HIS 106 CO 0.00 0.03 0.84 -1.54 -0.85 0.00 0.00 174.74 173.22 2nyh s SER 107 N -1.68 6.38 0.06 1.40 1.04 -1.26 -4.78 113.70 114.86 2nyh s SER 107 Ca -0.03 1.14 0.04 0.00 0.48 0.00 0.00 55.95 57.58 2nyh s SER 107 Cb -0.10 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2nyh s SER 107 CO 0.02 -0.57 -0.12 -1.00 0.98 0.00 0.00 173.24 172.56 2nyh s HIS 108 N -2.68 0.99 -0.19 5.02 3.76 -1.26 -5.11 115.29 115.82 2nyh s HIS 108 Ca 0.51 -0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 54.65 2nyh s HIS 108 Cb -0.10 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 2nyh s HIS 108 CO 0.40 -0.00 1.27 -1.21 -0.85 0.00 0.00 174.74 174.36 2nyh s GLU 109 N -1.67 4.16 0.52 1.40 0.41 -1.26 -5.01 118.70 117.26 2nyh s GLU 109 Ca -0.05 1.58 -0.10 0.00 -0.41 0.00 0.00 54.97 55.99 2nyh s GLU 109 Cb -0.10 -3.79 -0.05 0.00 -1.78 0.00 0.00 34.13 28.41 2nyh s GLU 109 CO 0.01 -0.80 0.89 -0.51 -0.49 0.00 0.00 175.26 174.37 2nyh s LEU 110 N 3.69 3.53 -1.29 1.80 1.43 -1.26 -4.66 118.68 121.93 2nyh s LEU 110 Ca 0.55 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.75 2nyh s LEU 110 Cb -0.21 -4.19 0.14 0.00 0.03 0.00 0.00 46.19 41.97 2nyh s LEU 110 CO 0.16 -0.65 1.80 0.52 0.23 0.00 0.00 176.35 178.41 2nyh n VAL 111 N -2.16 4.18 0.26 -1.59 0.31 0.21 -4.81 118.33 114.73 2nyh n VAL 111 Ca 0.04 -4.28 0.10 0.00 -0.01 0.00 0.00 64.34 60.18 2nyh n VAL 111 Cb 0.54 -2.42 0.68 0.00 -0.91 0.00 0.00 33.84 31.74 2nyh n VAL 111 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2nyh h LEU 112 N 8.98 0.00 -2.38 7.52 3.38 -1.93 -1.74 115.31 129.14 2nyh h LEU 112 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2nyh h LEU 112 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2nyh h LEU 112 CO 1.55 0.09 0.15 0.77 0.09 0.00 0.00 178.44 181.09 2nyh h SER 113 N 0.00 0.00 1.05 -0.43 4.64 -1.97 -1.60 113.55 115.24 2nyh h SER 113 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyh h SER 113 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2nyh h SER 113 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2nyh n ALA 114 N -1.95 2.10 1.00 5.18 0.00 -0.65 -5.13 120.51 121.05 2nyh n ALA 114 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2nyh n ALA 114 Cb 0.21 -1.42 0.10 0.00 0.00 0.00 0.00 19.45 18.33 2nyh n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78