#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn h SER 2 N 0.00 -1.32 -2.44 1.61 0.02 -2.11 -3.42 113.55 105.89 2yrn h SER 2 Ca 0.00 0.17 -0.46 0.00 -0.84 0.00 0.00 61.79 60.66 2yrn h SER 2 Cb 0.00 0.53 0.23 0.00 0.14 0.00 0.00 62.40 63.31 2yrn h SER 2 CO 0.00 -0.44 -1.01 -0.24 -1.14 0.00 0.00 176.83 174.00 2yrn n SER 3 N -5.44 -2.33 0.00 3.07 2.88 -1.26 -5.00 113.62 105.54 2yrn n SER 3 Ca -0.05 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2yrn n SER 3 Cb 0.36 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2yrn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 4 N 1.95 -1.00 2.53 0.46 0.00 -1.26 -5.01 105.19 102.86 2yrn n GLY 4 Ca 0.01 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2yrn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yrn n SER 5 N 0.78 6.47 -4.84 1.61 7.64 -1.26 -5.02 113.62 119.00 2yrn n SER 5 Ca 0.00 -3.78 -0.33 0.00 1.01 0.00 0.00 58.87 55.76 2yrn n SER 5 Cb 0.00 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.36 2yrn n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yrn s SER 6 N -2.26 6.84 0.00 6.43 1.04 -1.26 -5.03 113.70 119.46 2yrn s SER 6 Ca 0.54 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2yrn s SER 6 Cb 0.44 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2yrn s SER 6 CO -0.19 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2yrn n GLY 7 N -0.09 3.46 3.83 7.32 0.00 -1.26 -5.20 105.19 113.25 2yrn n GLY 7 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 2yrn n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrn s LYS 8 N 3.76 1.76 -0.24 1.61 0.00 -1.26 -5.15 119.74 120.22 2yrn s LYS 8 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 55.97 54.87 2yrn s LYS 8 Cb 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 37.83 38.37 2yrn s LYS 8 CO 0.00 -0.81 0.04 1.03 0.00 0.00 0.00 175.35 175.61 2yrn s ARG 9 N -3.24 3.57 0.21 1.78 0.52 -1.26 -5.10 118.95 115.43 2yrn s ARG 9 Ca 0.13 -0.52 0.10 0.00 -0.52 0.00 0.00 55.73 54.92 2yrn s ARG 9 Cb -0.05 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2yrn s ARG 9 CO 0.07 -0.20 -0.20 0.15 0.02 0.00 0.00 175.30 175.14 2yrn s LYS 10 N 1.58 1.45 -0.25 3.54 1.02 -1.26 -5.10 119.74 120.72 2yrn s LYS 10 Ca 0.06 -1.55 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 2yrn s LYS 10 Cb -0.15 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 2yrn s LYS 10 CO 0.02 0.31 1.63 -1.25 -0.92 0.00 0.00 175.35 175.14 2yrn s PRO 11 N -3.03 3.71 -0.03 -1.68 0.04 -1.26 -4.96 135.00 127.79 2yrn s PRO 11 Ca 0.21 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2yrn s PRO 11 Cb -0.06 -4.06 0.09 0.00 0.04 0.00 0.00 34.50 30.51 2yrn s PRO 11 CO 0.10 -1.40 0.77 0.54 0.04 0.00 0.00 177.00 177.05 2yrn s VAL 12 N 5.48 0.00 -0.12 -0.36 0.11 -1.26 -5.16 120.40 119.09 2yrn s VAL 12 Ca 0.72 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.71 2yrn s VAL 12 Cb -0.24 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 2yrn s VAL 12 CO 0.30 0.00 0.09 -0.63 -3.33 0.00 0.00 175.10 171.53 2yrn s ILE 13 N -1.99 5.11 -0.81 7.04 -1.09 -1.26 -5.06 121.20 123.14 2yrn s ILE 13 Ca -0.04 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 2yrn s ILE 13 Cb -0.00 -3.21 0.20 0.00 -1.58 0.00 0.00 42.46 37.86 2yrn s ILE 13 CO 0.00 0.60 0.65 1.41 -1.23 0.00 0.00 174.94 176.37 2yrn n HIS 14 N 2.20 3.76 -0.90 3.97 8.25 -1.26 -5.04 115.22 126.20 2yrn n HIS 14 Ca -0.19 -4.22 -0.36 0.00 -0.26 0.00 0.00 57.72 52.68 2yrn n HIS 14 Cb 0.54 -0.89 0.08 0.00 1.12 0.00 0.00 29.99 30.84 2yrn n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yrn n GLY 15 N 2.11 -3.08 0.33 -1.41 0.00 -1.26 -3.37 105.19 98.51 2yrn n GLY 15 Ca 0.21 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2yrn n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrn n LEU 16 N 1.81 -0.84 -0.31 0.99 4.77 -1.26 0.15 117.00 122.31 2yrn n LEU 16 Ca -0.01 1.53 0.16 0.00 -0.03 0.00 0.00 56.01 57.66 2yrn n LEU 16 Cb 0.67 -0.24 0.42 0.00 -2.33 0.00 0.00 43.42 41.95 2yrn n LEU 16 CO 0.48 -1.21 1.21 1.05 -1.33 0.00 0.00 177.39 177.59 2yrn h GLU 17 N 0.00 0.57 -0.16 3.23 4.11 -2.02 0.20 114.58 120.51 2yrn h GLU 17 Ca 0.13 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.38 2yrn h GLU 17 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2yrn h GLU 17 CO -0.75 0.38 -0.51 -0.44 0.07 0.00 0.00 179.01 177.76 2yrn h ASP 18 N 0.58 0.49 -0.63 3.06 3.32 0.11 -3.15 116.42 120.21 2yrn h ASP 18 Ca 0.53 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2yrn h ASP 18 Cb 1.07 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2yrn h ASP 18 CO -0.28 0.92 0.35 1.56 -1.72 0.00 0.00 179.24 180.07 2yrn h GLN 19 N 0.35 0.87 -0.49 3.56 4.20 0.29 -2.07 115.11 121.84 2yrn h GLN 19 Ca 0.01 -0.10 0.14 0.00 0.06 0.00 0.00 58.65 58.77 2yrn h GLN 19 Cb 1.02 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2yrn h GLN 19 CO 0.09 0.65 0.88 -0.22 -0.67 0.00 0.00 178.83 179.56 2yrn h LYS 20 N 0.86 0.00 0.08 1.46 3.64 -1.37 0.52 116.57 121.76 2yrn h LYS 20 Ca 0.22 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.36 2yrn h LYS 20 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2yrn h LYS 20 CO -0.04 0.00 -1.24 -0.09 -2.27 0.00 0.00 179.45 175.81 2yrn h ARG 21 N 0.00 0.16 -0.46 1.90 9.65 -1.53 -3.18 114.38 120.92 2yrn h ARG 21 Ca 0.23 -0.27 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 2yrn h ARG 21 Cb 1.98 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 30.61 2yrn h ARG 21 CO -0.00 1.13 0.18 0.82 2.80 0.00 0.00 179.97 184.90 2yrn h ILE 22 N -0.53 0.88 -0.10 1.20 2.04 0.02 -1.24 117.51 119.77 2yrn h ILE 22 Ca -0.29 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 2yrn h ILE 22 Cb 1.58 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2yrn h ILE 22 CO -0.01 0.07 -0.22 1.88 0.00 0.00 0.00 178.15 179.86 2yrn h TYR 23 N 0.37 0.19 -0.21 1.37 0.05 -1.46 -2.56 116.97 114.71 2yrn h TYR 23 Ca 0.21 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 2yrn h TYR 23 Cb 0.19 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2yrn h TYR 23 CO -0.14 0.40 0.10 1.15 -1.05 0.00 0.00 178.16 178.61 2yrn h THR 24 N 0.16 1.14 -0.44 -2.88 2.02 -1.23 -2.54 112.91 109.14 2yrn h THR 24 Ca 0.03 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2yrn h THR 24 Cb 0.49 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2yrn h THR 24 CO 0.03 0.14 -0.02 -0.78 0.37 0.00 0.00 175.52 175.27 2yrn h ASP 25 N 0.21 0.70 0.59 4.18 3.58 -1.23 -1.49 116.42 122.96 2yrn h ASP 25 Ca 0.07 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2yrn h ASP 25 Cb 0.13 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2yrn h ASP 25 CO -0.01 0.78 -0.46 -0.25 -2.88 0.00 0.00 179.24 176.42 2yrn h TRP 26 N 0.69 -1.25 -0.21 0.28 7.01 -1.21 -3.00 115.95 118.26 2yrn h TRP 26 Ca 0.13 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2yrn h TRP 26 Cb 0.45 0.47 -0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2yrn h TRP 26 CO 0.02 -0.65 0.12 0.00 -2.79 0.00 0.00 178.44 175.14 2yrn h ALA 27 N -0.83 0.27 -1.29 2.65 0.00 -1.44 -2.62 119.26 116.01 2yrn h ALA 27 Ca -0.07 -0.05 0.44 0.00 0.00 0.00 0.00 54.91 55.23 2yrn h ALA 27 Cb 0.86 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 2yrn h ALA 27 CO 0.01 -0.21 0.84 0.09 0.00 0.00 0.00 179.25 179.98 2yrn n ASN 28 N -4.89 0.18 0.36 0.00 5.03 -0.57 0.42 115.26 115.79 2yrn n ASN 28 Ca -0.03 1.25 -0.17 0.00 0.87 0.00 0.00 54.58 56.49 2yrn n ASN 28 Cb 0.06 -0.61 -0.09 0.00 -1.02 0.00 0.00 39.78 38.13 2yrn n ASN 28 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 2yrn h HIS 29 N 0.00 -0.83 -0.70 3.10 2.76 -1.33 0.30 115.15 118.44 2yrn h HIS 29 Ca 0.81 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 59.11 2yrn h HIS 29 Cb 2.65 0.27 -0.04 0.00 1.55 0.00 0.00 27.41 31.84 2yrn h HIS 29 CO -0.01 -0.49 0.48 1.88 -1.30 0.00 0.00 177.93 178.50 2yrn h TYR 30 N -1.02 0.33 0.17 5.26 0.05 -0.14 0.52 116.97 122.15 2yrn h TYR 30 Ca -0.09 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2yrn h TYR 30 Cb 0.72 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2yrn h TYR 30 CO -0.01 0.13 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.08 2yrn h LEU 31 N 0.28 -0.19 0.27 3.88 3.38 -1.10 -2.74 115.31 119.09 2yrn h LEU 31 Ca 0.34 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yrn h LEU 31 Cb 0.94 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2yrn h LEU 31 CO -0.08 0.33 -0.25 0.00 0.09 0.00 0.00 178.44 178.52 2yrn h ALA 32 N -0.21 -0.53 -0.93 1.53 0.00 -0.30 -1.43 119.26 117.39 2yrn h ALA 32 Ca -0.02 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.02 2yrn h ALA 32 Cb 0.53 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2yrn h ALA 32 CO 0.04 -0.83 0.62 1.57 0.00 0.00 0.00 179.25 180.65 2yrn h LYS 33 N -0.55 0.37 0.00 0.00 2.10 -1.04 0.66 116.57 118.12 2yrn h LYS 33 Ca -0.01 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2yrn h LYS 33 Cb 0.50 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2yrn h LYS 33 CO -0.04 0.24 -0.14 1.03 -2.00 0.00 0.00 179.45 178.54 2yrn h SER 34 N 0.38 0.00 0.00 7.07 0.87 -1.04 -3.47 113.55 117.36 2yrn h SER 34 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2yrn h SER 34 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2yrn h SER 34 CO -0.19 0.14 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 2yrn n GLY 35 N 0.61 0.58 2.69 5.77 0.00 0.23 -5.07 105.19 110.00 2yrn n GLY 35 Ca 0.02 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2yrn n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yrn n HIS 36 N 0.00 0.58 0.02 1.61 8.25 -0.72 -4.84 115.22 120.12 2yrn n HIS 36 Ca 0.00 0.81 -0.06 0.00 -0.26 0.00 0.00 57.72 58.22 2yrn n HIS 36 Cb 0.00 -1.60 -0.11 0.00 1.12 0.00 0.00 29.99 29.40 2yrn n HIS 36 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2yrn h LYS 37 N 2.45 0.00 -6.90 -0.41 1.79 -1.94 -3.37 116.57 108.18 2yrn h LYS 37 Ca -0.38 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.59 2yrn h LYS 37 Cb 1.08 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.75 2yrn h LYS 37 CO 0.52 0.58 0.15 0.50 -1.08 0.00 0.00 179.45 180.12 2yrn s ARG 38 N -2.72 3.75 0.26 3.15 3.52 -1.26 -5.08 118.95 120.57 2yrn s ARG 38 Ca -0.02 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 2yrn s ARG 38 Cb 0.09 -2.36 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 2yrn s ARG 38 CO 0.81 -0.10 0.04 1.28 -0.81 0.00 0.00 175.30 176.53 2yrn n LEU 39 N -1.50 0.00 -4.52 -0.88 4.77 -1.26 -4.85 117.00 108.76 2yrn n LEU 39 Ca 0.03 -1.78 -0.42 0.00 -0.03 0.00 0.00 56.01 53.81 2yrn n LEU 39 Cb 0.54 0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.94 2yrn n LEU 39 CO 0.49 -0.26 0.06 -0.63 -1.33 0.00 0.00 177.39 175.71 2yrn s ILE 40 N -2.23 5.14 -0.12 -0.08 1.01 -1.26 -4.95 121.20 118.71 2yrn s ILE 40 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2yrn s ILE 40 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2yrn s ILE 40 CO 0.04 -0.23 -0.13 0.03 0.00 0.00 0.00 174.94 174.65 2yrn h ARG 41 N 8.57 0.00 -4.50 2.79 2.47 -1.98 -3.45 114.38 118.28 2yrn h ARG 41 Ca -0.28 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.75 2yrn h ARG 41 Cb 1.13 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.10 2yrn h ARG 41 CO 0.73 0.00 -0.57 -0.51 0.56 0.00 0.00 179.97 180.19 2yrn s ASP 42 N -5.45 5.21 0.35 7.04 1.01 -1.26 -4.96 116.67 118.61 2yrn s ASP 42 Ca -0.11 -2.04 0.12 0.00 0.71 0.00 0.00 52.55 51.23 2yrn s ASP 42 Cb 0.02 -1.81 0.93 0.00 1.01 0.00 0.00 42.92 43.07 2yrn s ASP 42 CO 0.16 -0.53 1.77 0.25 0.21 0.00 0.00 175.17 177.04 2yrn h LEU 43 N 8.01 0.61 -0.99 1.23 5.85 -1.87 1.99 115.31 130.14 2yrn h LEU 43 Ca -0.12 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2yrn h LEU 43 Cb 1.05 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2yrn h LEU 43 CO 0.68 0.16 -0.16 1.56 -0.34 0.00 0.00 178.44 180.35 2yrn h GLN 44 N 0.56 0.00 -0.23 1.25 4.20 -1.93 -2.94 115.11 116.02 2yrn h GLN 44 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 2yrn h GLN 44 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2yrn h GLN 44 CO -0.35 0.16 0.00 1.04 -0.67 0.00 0.00 178.83 179.00 2yrn n GLN 45 N -3.26 2.77 -0.10 1.46 6.02 0.27 -4.12 117.38 120.43 2yrn n GLN 45 Ca 0.01 -1.84 -0.11 0.00 -0.01 0.00 0.00 57.00 55.05 2yrn n GLN 45 Cb 0.43 -1.19 -0.13 0.00 1.02 0.00 0.00 30.24 30.38 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yrn n ASP 46 N 0.22 1.23 -2.11 1.08 8.00 0.60 -4.43 116.55 121.15 2yrn n ASP 46 Ca 0.08 -0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.34 2yrn n ASP 46 Cb 0.36 0.45 0.20 0.00 -0.02 0.00 0.00 41.12 42.12 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yrn n VAL 47 N -2.85 3.11 0.03 2.53 0.24 -1.13 -4.26 118.33 116.00 2yrn n VAL 47 Ca -0.33 -1.95 -0.16 0.00 -2.04 0.00 0.00 64.34 59.86 2yrn n VAL 47 Cb 1.02 -0.44 -0.14 0.00 -1.47 0.00 0.00 33.84 32.81 2yrn n VAL 47 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2yrn h THR 48 N 1.26 0.93 0.00 3.34 1.35 -1.78 -3.36 112.91 114.66 2yrn h THR 48 Ca 0.55 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2yrn h THR 48 Cb 2.69 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 71.72 2yrn h THR 48 CO 0.99 0.77 -0.93 -0.90 -0.25 0.00 0.00 175.52 175.20 2yrn n ASP 49 N -3.37 0.78 0.00 5.36 5.68 -1.26 -4.64 116.55 119.10 2yrn n ASP 49 Ca -0.21 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2yrn n ASP 49 Cb 1.05 0.43 0.00 0.00 -1.14 0.00 0.00 41.12 41.46 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yrn n GLY 50 N 1.24 2.90 0.00 6.12 0.00 -1.26 -4.48 105.19 109.70 2yrn n GLY 50 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2yrn n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yrn n VAL 51 N -1.99 0.00 -0.19 1.61 0.31 -1.26 -2.44 118.33 114.37 2yrn n VAL 51 Ca 0.00 1.09 0.28 0.00 -0.01 0.00 0.00 64.34 65.69 2yrn n VAL 51 Cb 0.00 -2.08 0.70 0.00 -0.91 0.00 0.00 33.84 31.54 2yrn n VAL 51 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2yrn h LEU 52 N 0.00 0.05 0.03 7.52 6.46 -1.90 -0.32 115.31 127.17 2yrn h LEU 52 Ca 0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2yrn h LEU 52 Cb 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2yrn h LEU 52 CO 0.00 0.02 -0.02 0.25 -0.62 0.00 0.00 178.44 178.07 2yrn h LEU 53 N 0.05 -0.04 -0.31 2.25 5.85 -1.74 -3.05 115.31 118.32 2yrn h LEU 53 Ca 0.44 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2yrn h LEU 53 Cb 1.66 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 2yrn h LEU 53 CO -0.03 0.03 0.17 0.00 -0.34 0.00 0.00 178.44 178.27 2yrn h ALA 54 N 0.85 0.40 -1.71 1.25 0.00 -0.73 -2.51 119.26 116.82 2yrn h ALA 54 Ca -0.00 -0.08 0.51 0.00 0.00 0.00 0.00 54.91 55.34 2yrn h ALA 54 Cb 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2yrn h ALA 54 CO 0.01 -0.06 1.21 1.04 0.00 0.00 0.00 179.25 181.45 2yrn n GLN 55 N -4.79 -0.01 -0.08 0.00 6.02 -0.92 -0.40 117.38 117.20 2yrn n GLN 55 Ca -0.01 1.01 -0.11 0.00 -0.01 0.00 0.00 57.00 57.88 2yrn n GLN 55 Cb 0.08 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 29.02 2yrn n GLN 55 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2yrn h ILE 56 N 0.00 0.39 -0.42 5.09 2.04 -1.50 -3.37 117.51 119.74 2yrn h ILE 56 Ca 0.85 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 65.28 2yrn h ILE 56 Cb 3.29 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 40.23 2yrn h ILE 56 CO -0.08 0.13 -0.38 0.40 0.00 0.00 0.00 178.15 178.22 2yrn h ILE 57 N -1.00 0.00 -0.97 -0.67 2.04 -0.49 0.24 117.51 116.66 2yrn h ILE 57 Ca -0.13 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.10 2yrn h ILE 57 Cb 0.78 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.68 2yrn h ILE 57 CO -0.08 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.45 2yrn n GLN 58 N -4.47 -0.06 0.07 2.37 6.02 -0.47 0.55 117.38 121.39 2yrn n GLN 58 Ca -0.01 1.37 -0.03 0.00 -0.01 0.00 0.00 57.00 58.33 2yrn n GLN 58 Cb 0.20 -2.38 -0.01 0.00 1.02 0.00 0.00 30.24 29.07 2yrn n GLN 58 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2yrn h VAL 59 N 0.00 0.00 -0.27 5.09 2.07 -0.76 2.04 116.25 124.42 2yrn h VAL 59 Ca 0.76 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 68.23 2yrn h VAL 59 Cb 1.91 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2yrn h VAL 59 CO -0.80 0.00 0.58 1.62 0.02 0.00 0.00 177.57 178.99 2yrn h VAL 60 N -0.31 0.13 0.00 2.57 3.04 0.02 0.58 116.25 122.28 2yrn h VAL 60 Ca -0.02 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.59 2yrn h VAL 60 Cb 0.14 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 2yrn h VAL 60 CO 0.03 0.00 -2.00 0.00 -1.01 0.00 0.00 177.57 174.59 2yrn n ALA 61 N -2.03 2.43 -3.08 3.17 0.00 0.19 -4.86 120.51 116.33 2yrn n ALA 61 Ca 0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 2yrn n ALA 61 Cb 0.69 -0.54 0.04 0.00 0.00 0.00 0.00 19.45 19.64 2yrn n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2yrn n ASN 62 N -2.32 -4.40 -3.77 0.00 4.13 0.65 -5.02 115.26 104.52 2yrn n ASN 62 Ca -0.10 -0.29 -0.09 0.00 1.68 0.00 0.00 54.58 55.77 2yrn n ASN 62 Cb 0.67 -2.99 -0.06 0.00 -1.54 0.00 0.00 39.78 35.86 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yrn s GLU 63 N -5.69 0.95 -0.09 3.52 2.56 0.14 -5.00 118.70 115.09 2yrn s GLU 63 Ca 0.31 -0.87 -0.01 0.00 0.00 0.00 0.00 54.97 54.41 2yrn s GLU 63 Cb -0.14 0.39 -0.03 0.00 2.00 0.00 0.00 34.13 36.36 2yrn s GLU 63 CO 0.39 -0.33 -0.04 0.21 -0.56 0.00 0.00 175.26 174.92 2yrn s LYS 64 N -3.84 3.00 -0.35 4.30 2.20 -1.26 -4.05 119.74 119.74 2yrn s LYS 64 Ca 0.05 -0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 2yrn s LYS 64 Cb 0.04 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.64 2yrn s LYS 64 CO -0.11 0.59 0.50 0.42 -0.36 0.00 0.00 175.35 176.40 2yrn s ILE 65 N -0.61 5.03 -2.22 5.43 1.01 -1.26 -4.92 121.20 123.67 2yrn s ILE 65 Ca 0.09 0.32 0.29 0.00 0.00 0.00 0.00 60.65 61.36 2yrn s ILE 65 Cb -0.12 -3.95 0.72 0.00 0.01 0.00 0.00 42.46 39.13 2yrn s ILE 65 CO 0.02 -0.20 1.97 -0.62 0.00 0.00 0.00 174.94 176.11 2yrn n GLU 66 N 5.71 1.30 -1.47 2.79 1.02 -1.26 -3.71 120.64 125.02 2yrn n GLU 66 Ca -0.05 -0.44 -0.27 0.00 -0.02 0.00 0.00 57.16 56.38 2yrn n GLU 66 Cb 0.49 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.52 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2yrn n ASP 67 N -0.45 5.81 -4.29 1.62 5.75 -1.26 -4.95 116.55 118.78 2yrn n ASP 67 Ca 0.21 -3.76 -0.34 0.00 -0.01 0.00 0.00 54.79 50.89 2yrn n ASP 67 Cb 0.22 -0.73 -0.14 0.00 -1.03 0.00 0.00 41.12 39.44 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2yrn s ILE 68 N -4.42 3.02 0.09 2.12 -1.09 -1.24 -4.60 121.20 115.09 2yrn s ILE 68 Ca 0.57 -0.63 -0.35 0.00 -2.23 0.00 0.00 60.65 58.02 2yrn s ILE 68 Cb 0.46 -2.33 -0.16 0.00 -1.58 0.00 0.00 42.46 38.86 2yrn s ILE 68 CO 0.02 0.48 1.57 -1.13 -1.23 0.00 0.00 174.94 174.64 2yrn h ASN 69 N 7.66 -1.36 0.00 3.58 -1.24 -1.92 -3.47 115.58 118.82 2yrn h ASN 69 Ca -0.38 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2yrn h ASN 69 Cb 1.17 0.47 0.00 0.00 0.73 0.00 0.00 38.32 40.69 2yrn h ASN 69 CO 0.60 -0.62 0.00 0.61 -1.29 0.00 0.00 177.43 176.73 2yrn n GLY 70 N -1.53 2.89 2.68 1.57 0.00 -1.26 -4.87 105.19 104.66 2yrn n GLY 70 Ca -0.11 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 2yrn n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrn s PRO 72 N -1.46 2.61 -0.20 0.00 0.04 -1.26 -4.81 135.00 129.91 2yrn s PRO 72 Ca 0.30 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2yrn s PRO 72 Cb 0.03 -4.48 -0.15 0.00 0.04 0.00 0.00 34.50 29.93 2yrn s PRO 72 CO -0.14 -2.83 0.05 1.63 0.04 0.00 0.00 177.00 175.76 2yrn n LYS 73 N 9.14 0.55 -0.76 4.56 4.76 -1.26 -4.80 118.16 130.36 2yrn n LYS 73 Ca 0.23 0.52 -0.29 0.00 -2.87 0.00 0.00 58.31 55.90 2yrn n LYS 73 Cb 0.51 -1.70 0.22 0.00 -1.84 0.00 0.00 35.03 32.22 2yrn n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2yrn s ASN 74 N -6.71 1.73 0.14 4.39 -0.87 -1.26 -4.95 114.94 107.40 2yrn s ASN 74 Ca -0.28 1.51 -0.04 0.00 -1.57 0.00 0.00 52.86 52.47 2yrn s ASN 74 Cb 0.06 -2.22 -0.06 0.00 -0.02 0.00 0.00 41.25 39.01 2yrn s ASN 74 CO 0.51 -3.73 1.34 -0.09 -2.57 0.00 0.00 177.10 172.55 2yrn h ARG 75 N -2.30 0.45 0.03 -0.60 1.12 -2.03 -3.28 114.38 107.76 2yrn h ARG 75 Ca -0.57 -0.44 -0.26 0.00 -1.11 0.00 0.00 59.98 57.60 2yrn h ARG 75 Cb 1.32 0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 31.36 2yrn h ARG 75 CO 0.51 1.09 -1.38 0.66 -3.11 0.00 0.00 179.97 177.74 2yrn h SER 76 N 0.27 0.10 -1.00 -3.80 4.64 -2.00 -3.34 113.55 108.43 2yrn h SER 76 Ca -0.07 -0.14 0.25 0.00 -0.47 0.00 0.00 61.79 61.37 2yrn h SER 76 Cb 1.49 -0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 63.42 2yrn h SER 76 CO 0.15 1.12 0.58 1.56 -0.87 0.00 0.00 176.83 179.37 2yrn h GLN 77 N 0.02 0.52 -0.71 4.77 1.08 -1.93 0.23 115.11 119.08 2yrn h GLN 77 Ca -0.17 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 2yrn h GLN 77 Cb 1.92 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 29.19 2yrn h GLN 77 CO 0.12 0.34 0.46 0.52 -0.95 0.00 0.00 178.83 179.32 2yrn h MET 78 N 0.54 0.88 -0.48 1.46 2.86 -1.68 -2.80 114.93 115.71 2yrn h MET 78 Ca 0.65 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.33 2yrn h MET 78 Cb 1.28 -0.20 -0.10 0.00 0.06 0.00 0.00 31.60 32.64 2yrn h MET 78 CO -0.50 0.58 -0.28 0.82 1.06 0.00 0.00 176.91 178.60 2yrn h ILE 79 N 0.91 0.27 -0.54 -1.22 1.08 -0.73 -1.23 117.51 116.04 2yrn h ILE 79 Ca 0.28 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.85 2yrn h ILE 79 Cb -0.02 0.27 -0.11 0.00 -3.07 0.00 0.00 36.82 33.89 2yrn h ILE 79 CO -0.09 0.00 -0.23 -0.33 -0.69 0.00 0.00 178.15 176.80 2yrn h GLU 80 N -0.17 -0.10 0.00 2.37 5.08 -1.46 -0.84 114.58 119.46 2yrn h GLU 80 Ca 0.21 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2yrn h GLU 80 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2yrn h GLU 80 CO -0.58 -0.07 0.00 0.09 -1.00 0.00 0.00 179.01 177.46 2yrn n ASN 81 N -5.42 0.00 -0.34 1.42 4.13 -0.47 0.10 115.26 114.68 2yrn n ASN 81 Ca 0.05 0.87 0.15 0.00 1.68 0.00 0.00 54.58 57.32 2yrn n ASN 81 Cb 0.33 -0.37 0.34 0.00 -1.54 0.00 0.00 39.78 38.54 2yrn n ASN 81 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2yrn h ILE 82 N 0.00 0.60 -0.57 2.41 2.04 -1.43 0.54 117.51 121.10 2yrn h ILE 82 Ca 0.00 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2yrn h ILE 82 Cb 0.00 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 35.95 2yrn h ILE 82 CO 0.00 0.11 0.29 -0.78 0.00 0.00 0.00 178.15 177.77 2yrn h ASP 83 N 0.62 0.41 -0.35 1.72 3.58 0.53 -2.37 116.42 120.56 2yrn h ASP 83 Ca 0.60 0.03 0.07 0.00 0.42 0.00 0.00 57.03 58.16 2yrn h ASP 83 Cb 1.06 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 2yrn h ASP 83 CO -0.44 0.27 -0.14 0.00 -2.88 0.00 0.00 179.24 176.05 2yrn h ALA 84 N 1.31 0.14 -0.76 -0.78 0.00 0.20 -0.84 119.26 118.54 2yrn h ALA 84 Ca 0.25 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2yrn h ALA 84 Cb 0.17 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2yrn h ALA 84 CO -0.18 -0.52 0.45 0.00 0.00 0.00 0.00 179.25 179.00 2yrn h LEU 86 N 0.82 0.72 -0.35 0.00 3.38 -0.76 0.26 115.31 119.39 2yrn h LEU 86 Ca 0.33 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 2yrn h LEU 86 Cb 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2yrn h LEU 86 CO -0.18 0.52 -0.50 0.78 0.09 0.00 0.00 178.44 179.15 2yrn h ASN 87 N 0.85 0.96 -0.44 -0.43 2.35 -0.49 -1.36 115.58 117.02 2yrn h ASN 87 Ca 0.24 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 2yrn h ASN 87 Cb -0.07 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 2yrn h ASN 87 CO -0.06 1.29 0.00 0.15 -1.65 0.00 0.00 177.43 177.15 2yrn h PHE 88 N 0.68 0.85 -0.46 1.19 3.04 -0.26 -2.84 116.94 119.15 2yrn h PHE 88 Ca 0.03 -0.15 -0.12 0.00 3.98 0.00 0.00 57.97 61.71 2yrn h PHE 88 Cb 1.10 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 2yrn h PHE 88 CO 0.07 0.83 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.93 2yrn h LEU 89 N 0.63 0.96 -0.90 0.59 3.38 -0.48 -3.05 115.31 116.44 2yrn h LEU 89 Ca 0.13 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.82 2yrn h LEU 89 Cb 0.49 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2yrn h LEU 89 CO 0.02 1.14 0.53 0.00 0.09 0.00 0.00 178.44 180.22 2yrn h ALA 90 N 0.85 1.32 0.00 1.53 0.00 -1.15 0.19 119.26 122.01 2yrn h ALA 90 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2yrn h ALA 90 Cb 0.76 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2yrn h ALA 90 CO 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 2yrn h ALA 91 N 1.50 1.14 0.00 0.00 0.00 -1.39 0.58 119.26 121.09 2yrn h ALA 91 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2yrn h ALA 91 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2yrn h ALA 91 CO -0.27 0.01 -0.52 1.63 0.00 0.00 0.00 179.25 180.10 2yrn n LYS 92 N -3.30 0.20 0.00 0.00 4.76 0.65 -4.92 118.16 115.54 2yrn n LYS 92 Ca -0.03 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2yrn n LYS 92 Cb 0.11 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 2yrn n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yrn n GLY 93 N 1.39 1.96 3.35 0.72 0.00 0.19 -5.09 105.19 107.71 2yrn n GLY 93 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -2.00 3.40 0.24 -0.61 1.01 -1.06 -5.00 121.20 117.18 2yrn s ILE 94 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 2yrn s ILE 94 Cb 0.00 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.83 2yrn s ILE 94 CO 0.00 0.45 1.63 0.21 0.00 0.00 0.00 174.94 177.23 2yrn s ASN 95 N 1.13 6.42 0.00 3.58 2.47 -1.26 -3.59 114.94 123.69 2yrn s ASN 95 Ca 0.02 2.86 0.00 0.00 0.42 0.00 0.00 52.86 56.15 2yrn s ASN 95 Cb -0.15 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 2yrn s ASN 95 CO -0.01 -0.91 0.00 2.30 -3.72 0.00 0.00 177.10 174.76 2yrn n ILE 96 N 3.12 0.00 -0.27 -5.21 -5.35 -1.26 -4.82 119.36 105.58 2yrn n ILE 96 Ca 0.12 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.62 2yrn n ILE 96 Cb 0.37 -0.51 0.07 0.00 -1.74 0.00 0.00 39.64 37.83 2yrn n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yrn n GLN 97 N -1.32 -0.11 -0.20 6.28 1.13 -1.26 0.16 117.38 122.06 2yrn n GLN 97 Ca 0.00 1.13 -0.04 0.00 -1.94 0.00 0.00 57.00 56.15 2yrn n GLN 97 Cb 0.27 -1.68 0.06 0.00 0.11 0.00 0.00 30.24 29.00 2yrn n GLN 97 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2yrn h GLY 98 N 0.00 0.84 -2.71 1.08 0.00 -2.01 -3.42 103.07 96.84 2yrn h GLY 98 Ca 0.31 -0.24 -0.53 0.00 0.00 0.00 0.00 47.33 46.86 2yrn h GLY 98 CO -0.74 0.18 0.55 1.08 0.00 0.00 0.00 176.54 177.62 2yrn s LEU 99 N -10.23 3.90 -0.21 3.11 1.43 0.43 -5.02 118.68 112.09 2yrn s LEU 99 Ca -0.13 2.56 -0.01 0.00 -1.03 0.00 0.00 54.13 55.53 2yrn s LEU 99 Cb 0.14 -4.28 0.06 0.00 0.03 0.00 0.00 46.19 42.14 2yrn s LEU 99 CO 0.75 -1.32 -0.03 -0.44 0.23 0.00 0.00 176.35 175.54 2yrn s SER 100 N -1.15 3.41 0.23 2.29 0.01 -1.26 -4.98 113.70 112.26 2yrn s SER 100 Ca 0.69 -0.99 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 2yrn s SER 100 Cb -0.35 -0.96 0.30 0.00 0.21 0.00 0.00 66.02 65.22 2yrn s SER 100 CO 0.42 -0.25 1.59 0.00 0.41 0.00 0.00 173.24 175.41 2yrn h ALA 101 N 8.07 0.43 0.14 1.44 0.00 -1.93 0.61 119.26 128.02 2yrn h ALA 101 Ca -0.18 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 101 Cb 1.09 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2yrn h ALA 101 CO 0.39 -0.45 -0.45 1.49 0.00 0.00 0.00 179.25 180.22 2yrn h GLU 102 N -0.02 -0.67 -0.55 0.00 4.81 -1.95 0.15 114.58 116.34 2yrn h GLU 102 Ca 0.36 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.73 2yrn h GLU 102 Cb 0.58 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 2yrn h GLU 102 CO -0.81 -0.45 0.13 0.93 -0.73 0.00 0.00 179.01 178.08 2yrn h GLU 103 N -0.70 0.26 -0.85 1.92 4.39 -1.60 -0.87 114.58 117.13 2yrn h GLU 103 Ca 0.01 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.72 2yrn h GLU 103 Cb 0.71 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 2yrn h GLU 103 CO -0.25 0.17 0.55 0.82 -1.16 0.00 0.00 179.01 179.15 2yrn h ILE 104 N 0.27 1.15 0.00 3.13 2.04 -0.36 -0.71 117.51 123.04 2yrn h ILE 104 Ca 0.28 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2yrn h ILE 104 Cb 0.39 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2yrn h ILE 104 CO -0.35 0.20 -0.16 -0.09 0.00 0.00 0.00 178.15 177.74 2yrn h ARG 105 N 1.08 0.00 0.00 2.37 2.43 0.56 -2.16 114.38 118.66 2yrn h ARG 105 Ca 0.34 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2yrn h ARG 105 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2yrn h ARG 105 CO -0.11 0.16 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.09 2yrn h ASN 106 N 0.00 0.00 0.00 -3.80 2.35 0.11 -3.45 115.58 110.79 2yrn h ASN 106 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2yrn h ASN 106 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2yrn h ASN 106 CO 0.02 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 176.60 2yrn n GLY 107 N 1.18 1.03 3.54 2.83 0.00 -0.57 -5.02 105.19 108.18 2yrn n GLY 107 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2yrn n GLY 107 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yrn n ASN 108 N 0.00 1.68 -0.38 1.61 5.15 -0.56 -4.81 115.26 117.95 2yrn n ASN 108 Ca 0.00 -0.38 -0.08 0.00 -0.60 0.00 0.00 54.58 53.52 2yrn n ASN 108 Cb 0.00 -1.39 -0.06 0.00 -0.53 0.00 0.00 39.78 37.79 2yrn n ASN 108 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2yrn n LEU 109 N 14.46 -0.89 -0.33 1.20 7.94 -1.26 0.82 117.00 138.94 2yrn n LEU 109 Ca 0.46 1.64 0.20 0.00 -1.11 0.00 0.00 56.01 57.20 2yrn n LEU 109 Cb 0.40 -0.25 0.39 0.00 0.53 0.00 0.00 43.42 44.49 2yrn n LEU 109 CO 0.77 -1.36 0.86 0.29 -1.11 0.00 0.00 177.39 176.84 2yrn n LYS 110 N -5.20 -0.07 0.29 1.96 4.01 -1.26 -0.15 118.16 117.74 2yrn n LYS 110 Ca 0.04 1.41 -0.14 0.00 -0.51 0.00 0.00 58.31 59.11 2yrn n LYS 110 Cb 0.27 -2.34 -0.07 0.00 -0.51 0.00 0.00 35.03 32.38 2yrn n LYS 110 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2yrn h ALA 111 N 1.94 -0.77 0.17 7.82 0.00 0.06 -1.75 119.26 126.72 2yrn h ALA 111 Ca 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2yrn h ALA 111 Cb 1.56 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 2yrn h ALA 111 CO -0.85 -0.76 -0.35 0.82 0.00 0.00 0.00 179.25 178.11 2yrn h ILE 112 N -1.11 0.00 -0.72 0.00 5.03 -0.19 -0.91 117.51 119.62 2yrn h ILE 112 Ca -0.08 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.82 2yrn h ILE 112 Cb 0.64 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.31 2yrn h ILE 112 CO 0.13 0.00 -0.02 -0.07 -0.68 0.00 0.00 178.15 177.51 2yrn h LEU 113 N -0.57 -0.36 -1.54 1.44 3.38 -0.67 0.34 115.31 117.32 2yrn h LEU 113 Ca -0.02 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2yrn h LEU 113 Cb 0.54 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2yrn h LEU 113 CO -0.14 -0.17 0.40 1.23 0.09 0.00 0.00 178.44 179.85 2yrn h GLY 114 N 0.09 0.71 0.41 0.83 0.00 -0.85 -0.34 103.07 103.92 2yrn h GLY 114 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 2yrn h GLY 114 CO -0.64 0.16 -0.20 -2.00 0.00 0.00 0.00 176.54 173.86 2yrn h LEU 115 N 0.55 -0.47 -0.34 3.11 6.46 0.10 -2.53 115.31 122.19 2yrn h LEU 115 Ca 0.27 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2yrn h LEU 115 Cb 0.34 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2yrn h LEU 115 CO -0.08 -0.16 0.01 0.49 -0.62 0.00 0.00 178.44 178.08 2yrn n PHE 116 N -4.44 0.17 0.04 1.25 3.72 -0.71 -0.37 117.46 117.13 2yrn n PHE 116 Ca -0.07 0.09 -0.14 0.00 -0.05 0.00 0.00 57.45 57.28 2yrn n PHE 116 Cb 0.22 -0.63 -0.14 0.00 -0.94 0.00 0.00 39.48 37.98 2yrn n PHE 116 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2yrn h PHE 117 N 0.00 0.32 0.00 1.38 3.04 -0.95 -3.21 116.94 117.52 2yrn h PHE 117 Ca 0.00 -0.23 -0.30 0.00 3.98 0.00 0.00 57.97 61.42 2yrn h PHE 117 Cb 0.03 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 2yrn h PHE 117 CO 0.00 1.30 -1.87 -1.13 -2.02 0.00 0.00 178.31 174.59 2yrn n SER 118 N -3.36 0.63 0.16 0.41 3.41 -0.09 -4.19 113.62 110.58 2yrn n SER 118 Ca -0.16 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 2yrn n SER 118 Cb 1.03 0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 65.17 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2yrn h LEU 119 N 0.00 -0.35 -1.88 1.04 5.85 -0.87 -2.79 115.31 116.31 2yrn h LEU 119 Ca -0.34 -0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.45 2yrn h LEU 119 Cb 2.02 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 2yrn h LEU 119 CO 0.06 -0.03 0.66 0.77 -0.34 0.00 0.00 178.44 179.56 2yrn h SER 120 N -0.68 0.00 0.03 1.25 4.64 -1.75 0.15 113.55 117.19 2yrn h SER 120 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2yrn h SER 120 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2yrn h SER 120 CO 0.07 0.00 -0.02 0.03 -0.87 0.00 0.00 176.83 176.04 2yrn h ARG 121 N 0.00 -0.04 -0.98 4.77 3.08 -1.66 -0.38 114.38 119.17 2yrn h ARG 121 Ca 0.36 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.55 2yrn h ARG 121 Cb 1.68 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.59 2yrn h ARG 121 CO -0.00 0.18 -0.44 -0.92 -1.07 0.00 0.00 179.97 177.71 2yrn h TYR 122 N -0.26 -1.29 0.20 3.04 3.20 -0.95 -0.15 116.97 120.76 2yrn h TYR 122 Ca -0.00 0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2yrn h TYR 122 Cb 0.24 0.71 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2yrn h TYR 122 CO -0.00 -0.40 -0.10 -0.22 -1.64 0.00 0.00 178.16 175.80 2yrn h LYS 123 N -0.01 -0.26 -0.80 1.82 1.63 -1.62 -3.29 116.57 114.04 2yrn h LYS 123 Ca 0.30 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.23 2yrn h LYS 123 Cb 0.55 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 32.11 2yrn h LYS 123 CO -0.97 0.14 -0.33 1.04 -3.45 0.00 0.00 179.45 175.88 2yrn n GLN 124 N -4.99 -0.21 -0.23 1.90 6.02 -0.16 0.12 117.38 119.84 2yrn n GLN 124 Ca -0.08 1.23 0.03 0.00 -0.01 0.00 0.00 57.00 58.16 2yrn n GLN 124 Cb 0.26 -1.82 0.13 0.00 1.02 0.00 0.00 30.24 29.83 2yrn n GLN 124 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2yrn h GLN 125 N 0.00 0.11 -5.05 -1.09 5.75 -1.14 -3.26 115.11 110.43 2yrn h GLN 125 Ca 0.26 -0.01 -0.31 0.00 -0.15 0.00 0.00 58.65 58.44 2yrn h GLN 125 Cb 0.46 -0.03 0.04 0.00 1.07 0.00 0.00 27.48 29.03 2yrn h GLN 125 CO -0.79 0.08 0.85 1.04 -2.65 0.00 0.00 178.83 177.36 2yrn n GLN 126 N -5.30 0.48 -3.35 1.69 6.02 0.33 -4.87 117.38 112.38 2yrn n GLN 126 Ca 0.11 -1.64 -0.40 0.00 -0.01 0.00 0.00 57.00 55.06 2yrn n GLN 126 Cb 0.41 -3.37 -0.09 0.00 1.02 0.00 0.00 30.24 28.21 2yrn n GLN 126 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2yrn s GLN 127 N 7.34 3.77 0.02 -1.09 -0.21 -1.23 -5.01 119.66 123.25 2yrn s GLN 127 Ca 0.73 -0.15 -0.26 0.00 0.02 0.00 0.00 55.36 55.70 2yrn s GLN 127 Cb 0.04 -3.74 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 2yrn s GLN 127 CO 0.22 -0.45 0.81 -1.14 -2.12 0.00 0.00 175.29 172.61 2yrn s GLN 128 N 2.14 4.52 0.00 2.91 2.00 -1.26 -5.22 119.66 124.75 2yrn s GLN 128 Ca 0.15 1.13 0.16 0.00 -2.00 0.00 0.00 55.36 54.80 2yrn s GLN 128 Cb -0.16 -3.40 0.93 0.00 0.80 0.00 0.00 33.01 31.18 2yrn s GLN 128 CO 0.11 0.17 1.34 -0.35 -0.50 0.00 0.00 175.29 176.07