#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn n SER 2 N 0.00 -0.87 -4.30 1.61 2.88 -1.26 -4.84 113.62 106.84 2yrn n SER 2 Ca 0.00 1.00 -0.35 0.00 -1.33 0.00 0.00 58.87 58.19 2yrn n SER 2 Cb 0.00 -1.07 0.08 0.00 -0.75 0.00 0.00 64.21 62.47 2yrn n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yrn n SER 3 N 1.60 -3.12 0.00 -3.46 7.64 -1.26 -4.96 113.62 110.07 2yrn n SER 3 Ca 0.13 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2yrn n SER 3 Cb 0.35 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2yrn n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrn n GLY 4 N 2.17 -0.66 3.58 0.23 0.00 -1.26 -5.08 105.19 104.17 2yrn n GLY 4 Ca 0.05 0.18 -0.54 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.97 2.37 -4.09 1.61 7.64 -1.26 -4.94 113.62 113.98 2yrn n SER 5 Ca 0.00 0.77 -0.22 0.00 1.01 0.00 0.00 58.87 60.43 2yrn n SER 5 Cb 0.00 -1.21 -0.15 0.00 -1.01 0.00 0.00 64.21 61.84 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 5.30 1.54 0.00 6.43 1.04 -1.26 -5.04 113.70 121.71 2yrn s SER 6 Ca 1.03 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2yrn s SER 6 Cb -0.95 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2yrn s SER 6 CO 0.57 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.55 2yrn n GLY 7 N 2.83 1.51 3.49 7.32 0.00 -1.26 -5.05 105.19 114.03 2yrn n GLY 7 Ca -0.15 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2yrn n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yrn s LYS 8 N -0.06 3.57 -1.40 1.61 2.47 -1.26 -4.25 119.74 120.42 2yrn s LYS 8 Ca 0.00 -1.48 -0.09 0.00 -1.56 0.00 0.00 55.97 52.84 2yrn s LYS 8 Cb 0.00 -5.02 0.04 0.00 -1.46 0.00 0.00 37.83 31.38 2yrn s LYS 8 CO 0.00 -1.93 1.03 0.54 0.16 0.00 0.00 175.35 175.16 2yrn n ARG 9 N 7.43 -6.54 -4.75 4.03 1.74 -1.26 -4.99 116.66 112.32 2yrn n ARG 9 Ca 0.25 0.72 -0.32 0.00 -0.77 0.00 0.00 57.85 57.73 2yrn n ARG 9 Cb 0.50 -5.65 -0.12 0.00 -1.02 0.00 0.00 32.46 26.16 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yrn s LYS 10 N -6.30 2.48 0.48 5.56 1.02 -1.26 -5.11 119.74 116.61 2yrn s LYS 10 Ca 0.49 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 2yrn s LYS 10 Cb -0.23 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 2yrn s LYS 10 CO 0.78 0.61 1.15 -1.25 -0.92 0.00 0.00 175.35 175.73 2yrn s PRO 11 N -0.97 3.65 -0.18 -1.68 0.04 -1.26 -5.02 135.00 129.58 2yrn s PRO 11 Ca 0.13 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 2yrn s PRO 11 Cb -0.11 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.19 2yrn s PRO 11 CO 0.03 -0.63 0.49 0.54 0.04 0.00 0.00 177.00 177.46 2yrn s VAL 12 N -1.61 -0.00 -0.11 -0.36 0.11 -1.26 -5.16 120.40 112.01 2yrn s VAL 12 Ca 0.66 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2yrn s VAL 12 Cb -0.27 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2yrn s VAL 12 CO 0.32 0.00 0.04 -0.63 -3.33 0.00 0.00 175.10 171.50 2yrn s ILE 13 N 0.34 4.62 -1.11 7.04 -1.09 -1.26 -5.05 121.20 124.69 2yrn s ILE 13 Ca -0.01 -0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.21 2yrn s ILE 13 Cb -0.04 -2.98 0.28 0.00 -1.58 0.00 0.00 42.46 38.14 2yrn s ILE 13 CO -0.00 0.59 1.16 1.41 -1.23 0.00 0.00 174.94 176.87 2yrn n HIS 14 N 2.33 4.80 -0.82 3.97 8.25 -1.26 -5.00 115.22 127.50 2yrn n HIS 14 Ca -0.19 -3.73 -0.35 0.00 -0.26 0.00 0.00 57.72 53.20 2yrn n HIS 14 Cb 0.54 -1.62 0.11 0.00 1.12 0.00 0.00 29.99 30.14 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 2.45 -2.78 0.35 -1.41 0.00 -1.26 -3.52 105.19 99.02 2yrn n GLY 15 Ca 0.24 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 0.53 -0.68 -0.24 0.99 4.77 -1.26 0.11 117.00 121.23 2yrn n LEU 16 Ca -0.00 1.54 -0.00 0.00 -0.03 0.00 0.00 56.01 57.52 2yrn n LEU 16 Cb 0.66 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.56 2yrn n LEU 16 CO 0.49 -1.34 1.08 -0.33 -1.33 0.00 0.00 177.39 175.95 2yrn h GLU 17 N 0.00 0.63 0.00 3.23 5.08 -2.02 -0.31 114.58 121.19 2yrn h GLU 17 Ca 0.25 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2yrn h GLU 17 Cb 0.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2yrn h GLU 17 CO -0.86 0.42 -0.27 -0.44 -1.00 0.00 0.00 179.01 176.86 2yrn h ASP 18 N 0.65 0.00 -0.16 1.42 5.19 0.62 -2.95 116.42 121.19 2yrn h ASP 18 Ca 0.32 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.70 2yrn h ASP 18 Cb 0.27 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2yrn h ASP 18 CO -0.22 0.27 -0.05 1.56 -3.12 0.00 0.00 179.24 177.68 2yrn h GLN 19 N 0.00 0.31 -0.98 3.56 4.20 0.15 -3.09 115.11 119.26 2yrn h GLN 19 Ca -0.00 -0.12 0.23 0.00 0.06 0.00 0.00 58.65 58.82 2yrn h GLN 19 Cb 0.49 -0.01 -0.18 0.00 0.30 0.00 0.00 27.48 28.07 2yrn h GLN 19 CO 0.04 0.60 -0.10 -0.22 -0.67 0.00 0.00 178.83 178.47 2yrn h LYS 20 N -0.00 0.01 0.54 1.46 3.64 -1.19 0.60 116.57 121.63 2yrn h LYS 20 Ca 0.04 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2yrn h LYS 20 Cb 0.49 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2yrn h LYS 20 CO 0.02 0.00 -0.26 -0.09 -2.27 0.00 0.00 179.45 176.85 2yrn h ARG 21 N 0.01 -0.69 -0.94 1.90 9.65 -1.64 -1.14 114.38 121.53 2yrn h ARG 21 Ca 0.53 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.65 2yrn h ARG 21 Cb 0.98 0.16 -0.18 0.00 -1.39 0.00 0.00 29.97 29.54 2yrn h ARG 21 CO -0.95 -0.41 -0.22 -0.89 2.80 0.00 0.00 179.97 180.30 2yrn n ILE 22 N -5.35 -0.39 -0.04 1.20 5.41 0.14 0.12 119.36 120.44 2yrn n ILE 22 Ca -0.12 2.14 -0.11 0.00 1.00 0.00 0.00 62.75 65.66 2yrn n ILE 22 Cb 0.32 -2.97 0.02 0.00 -0.71 0.00 0.00 39.64 36.30 2yrn n ILE 22 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2yrn h TYR 23 N 0.00 0.89 -0.28 1.39 0.05 -1.30 -2.39 116.97 115.33 2yrn h TYR 23 Ca 0.46 -0.30 0.06 0.00 0.05 0.00 0.00 58.73 58.99 2yrn h TYR 23 Cb 0.71 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.22 2yrn h TYR 23 CO -0.71 1.08 -0.09 1.15 -1.05 0.00 0.00 178.16 178.54 2yrn h THR 24 N 0.57 0.68 -0.47 -2.88 2.02 0.22 -1.29 112.91 111.77 2yrn h THR 24 Ca 0.02 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2yrn h THR 24 Cb 1.07 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2yrn h THR 24 CO 0.10 0.00 -0.20 -0.78 0.37 0.00 0.00 175.52 175.01 2yrn h ASP 25 N -0.03 0.99 -0.46 4.18 3.58 -1.10 -2.18 116.42 121.40 2yrn h ASP 25 Ca 0.14 -0.39 0.09 0.00 0.42 0.00 0.00 57.03 57.28 2yrn h ASP 25 Cb 0.24 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 40.94 2yrn h ASP 25 CO -0.30 1.16 0.00 -0.25 -2.88 0.00 0.00 179.24 176.97 2yrn h TRP 26 N 0.81 -0.03 -0.28 0.28 7.01 -0.86 -2.11 115.95 120.77 2yrn h TRP 26 Ca 0.11 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 2yrn h TRP 26 Cb 0.78 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2yrn h TRP 26 CO 0.05 -0.10 -0.13 0.00 -2.79 0.00 0.00 178.44 175.47 2yrn h ALA 27 N 1.41 0.40 -0.97 2.65 0.00 -1.21 -3.10 119.26 118.43 2yrn h ALA 27 Ca 0.23 -0.32 0.31 0.00 0.00 0.00 0.00 54.91 55.13 2yrn h ALA 27 Cb 0.34 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.88 2yrn h ALA 27 CO -0.38 0.28 0.43 -0.91 0.00 0.00 0.00 179.25 178.67 2yrn h ASN 28 N 0.33 0.27 -0.49 0.00 -0.26 -0.72 0.37 115.58 115.09 2yrn h ASN 28 Ca 0.06 0.21 0.08 0.00 -0.56 0.00 0.00 56.30 56.10 2yrn h ASN 28 Cb 0.65 0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 38.06 2yrn h ASN 28 CO 0.04 -0.20 0.09 -0.74 -1.06 0.00 0.00 177.43 175.56 2yrn h HIS 29 N 0.22 0.14 0.00 1.19 2.76 -1.39 0.34 115.15 118.42 2yrn h HIS 29 Ca 0.69 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.89 2yrn h HIS 29 Cb 1.58 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.55 2yrn h HIS 29 CO -0.12 -0.01 0.00 0.66 -1.30 0.00 0.00 177.93 177.16 2yrn n TYR 30 N -5.12 0.78 -0.08 5.26 4.01 0.13 -1.83 117.16 120.31 2yrn n TYR 30 Ca 0.05 0.33 -0.09 0.00 -0.16 0.00 0.00 57.90 58.03 2yrn n TYR 30 Cb 0.24 -1.03 -0.04 0.00 -0.31 0.00 0.00 39.34 38.20 2yrn n TYR 30 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2yrn h LEU 31 N 0.00 0.00 -2.75 7.72 3.38 -0.04 -3.22 115.31 120.40 2yrn h LEU 31 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2yrn h LEU 31 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2yrn h LEU 31 CO 0.00 0.93 0.03 0.00 0.09 0.00 0.00 178.44 179.49 2yrn h ALA 32 N -0.87 1.22 0.19 1.53 0.00 -0.61 -1.36 119.26 119.36 2yrn h ALA 32 Ca -0.09 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2yrn h ALA 32 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2yrn h ALA 32 CO -0.05 -0.03 -1.37 1.57 0.00 0.00 0.00 179.25 179.37 2yrn h LYS 33 N 0.00 0.56 -0.01 0.00 2.10 -1.53 -3.20 116.57 114.50 2yrn h LYS 33 Ca 0.00 -0.86 0.00 0.00 -2.00 0.00 0.00 60.65 57.80 2yrn h LYS 33 Cb 0.06 0.30 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2yrn h LYS 33 CO -0.00 1.40 0.00 0.43 -2.00 0.00 0.00 179.45 179.28 2yrn n SER 34 N -3.74 0.19 -1.45 7.07 7.64 -0.57 -4.91 113.62 117.86 2yrn n SER 34 Ca -0.15 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.50 2yrn n SER 34 Cb 1.05 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrn n GLY 35 N 0.94 0.29 3.46 0.23 0.00 -0.86 -5.08 105.19 104.16 2yrn n GLY 35 Ca 0.19 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2yrn n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yrn s HIS 36 N -2.96 2.49 -0.17 1.61 3.76 -0.84 -5.00 115.29 114.17 2yrn s HIS 36 Ca 0.00 -0.29 0.16 0.00 -0.15 0.00 0.00 55.06 54.77 2yrn s HIS 36 Cb 0.00 -1.35 -0.23 0.00 1.11 0.00 0.00 32.58 32.12 2yrn s HIS 36 CO 0.00 0.34 0.41 0.36 -0.85 0.00 0.00 174.74 175.00 2yrn n LYS 37 N 0.99 0.80 -3.83 1.40 2.85 -1.26 -4.62 118.16 114.49 2yrn n LYS 37 Ca -0.16 -0.11 -0.35 0.00 -1.05 0.00 0.00 58.31 56.64 2yrn n LYS 37 Cb 0.53 -1.34 -0.09 0.00 -0.65 0.00 0.00 35.03 33.48 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2yrn s ARG 38 N -2.94 4.08 0.43 -1.58 3.52 -1.26 -5.10 118.95 116.10 2yrn s ARG 38 Ca -0.03 -0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.36 2yrn s ARG 38 Cb 0.10 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 2yrn s ARG 38 CO 0.64 0.25 0.32 -0.51 -0.81 0.00 0.00 175.30 175.19 2yrn s LEU 39 N 0.48 3.20 -0.43 -0.88 1.43 -1.26 -4.96 118.68 116.27 2yrn s LEU 39 Ca 0.06 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 2yrn s LEU 39 Cb -0.12 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2yrn s LEU 39 CO -0.00 -0.69 0.65 -0.63 0.23 0.00 0.00 176.35 175.91 2yrn s ILE 40 N -2.56 4.83 -0.15 -0.59 1.01 -1.26 -4.93 121.20 117.55 2yrn s ILE 40 Ca 0.44 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 2yrn s ILE 40 Cb -0.01 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2yrn s ILE 40 CO 0.25 -0.56 -0.02 0.03 0.00 0.00 0.00 174.94 174.64 2yrn h ARG 41 N 8.82 0.00 -4.53 2.79 3.08 -1.97 -3.45 114.38 119.12 2yrn h ARG 41 Ca -0.26 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.11 2yrn h ARG 41 Cb 1.10 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.79 2yrn h ARG 41 CO 0.89 0.26 -0.59 -0.51 -1.07 0.00 0.00 179.97 178.94 2yrn s ASP 42 N -5.96 5.14 0.65 7.04 1.11 -1.26 -4.94 116.67 118.45 2yrn s ASP 42 Ca -0.15 -2.06 0.24 0.00 0.18 0.00 0.00 52.55 50.76 2yrn s ASP 42 Cb 0.02 -1.78 1.26 0.00 1.07 0.00 0.00 42.92 43.49 2yrn s ASP 42 CO 0.28 -0.50 1.71 0.25 1.18 0.00 0.00 175.17 178.09 2yrn h LEU 43 N 7.95 0.00 0.00 1.23 5.85 -1.87 1.19 115.31 129.65 2yrn h LEU 43 Ca -0.11 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.39 2yrn h LEU 43 Cb 1.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2yrn h LEU 43 CO 0.66 0.00 -1.22 1.56 -0.34 0.00 0.00 178.44 179.09 2yrn h GLN 44 N 0.00 0.00 -0.34 1.25 4.20 -1.92 -3.32 115.11 114.98 2yrn h GLN 44 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2yrn h GLN 44 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2yrn h GLN 44 CO -0.00 0.69 0.00 1.04 -0.67 0.00 0.00 178.83 179.89 2yrn n GLN 45 N -3.18 2.60 -0.06 1.46 6.02 0.33 -4.19 117.38 120.36 2yrn n GLN 45 Ca -0.06 -2.00 -0.14 0.00 -0.01 0.00 0.00 57.00 54.78 2yrn n GLN 45 Cb 0.94 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 30.77 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2yrn n ASP 46 N 0.62 1.24 -2.06 1.08 5.75 0.31 -4.27 116.55 119.22 2yrn n ASP 46 Ca 0.12 0.12 -0.19 0.00 -0.01 0.00 0.00 54.79 54.82 2yrn n ASP 46 Cb 0.43 -0.08 0.20 0.00 -1.03 0.00 0.00 41.12 40.64 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2yrn n VAL 47 N -3.13 3.09 0.05 2.12 0.24 -1.25 -4.26 118.33 115.19 2yrn n VAL 47 Ca -0.32 -2.00 -0.12 0.00 -2.04 0.00 0.00 64.34 59.86 2yrn n VAL 47 Cb 1.06 -0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.18 1.30 0.00 3.34 1.35 -1.77 -3.34 112.91 114.98 2yrn h THR 48 Ca 0.54 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 2yrn h THR 48 Cb 2.66 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 71.82 2yrn h THR 48 CO 0.97 0.81 -1.42 -0.90 -0.25 0.00 0.00 175.52 174.74 2yrn n ASP 49 N -3.36 0.46 0.00 5.36 5.75 -1.26 -4.61 116.55 118.89 2yrn n ASP 49 Ca -0.11 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 2yrn n ASP 49 Cb 1.01 1.30 0.00 0.00 -1.03 0.00 0.00 41.12 42.40 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yrn n GLY 50 N 1.33 2.71 0.00 6.12 0.00 -1.25 -4.42 105.19 109.67 2yrn n GLY 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 0.00 -0.17 1.61 0.31 -1.26 -2.25 118.33 114.57 2yrn n VAL 51 Ca 0.00 1.02 0.25 0.00 -0.01 0.00 0.00 64.34 65.61 2yrn n VAL 51 Cb 0.00 -2.00 0.67 0.00 -0.91 0.00 0.00 33.84 31.61 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 0.09 0.03 7.52 6.46 -1.90 -0.57 115.31 126.95 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 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2yrn h LEU 52 CO 0.00 0.04 -0.02 0.25 -0.62 0.00 0.00 178.44 178.09 2yrn h LEU 53 N 0.09 -0.04 -0.38 2.25 5.85 -1.74 -3.08 115.31 118.28 2yrn h LEU 53 Ca 0.41 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2yrn h LEU 53 Cb 1.50 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2yrn h LEU 53 CO -0.05 0.09 0.22 0.00 -0.34 0.00 0.00 178.44 178.36 2yrn h ALA 54 N 0.80 0.48 -1.00 1.25 0.00 -0.67 -2.60 119.26 117.52 2yrn h ALA 54 Ca -0.00 -0.06 0.41 0.00 0.00 0.00 0.00 54.91 55.26 2yrn h ALA 54 Cb 0.15 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 2yrn h ALA 54 CO 0.01 -0.02 0.56 1.04 0.00 0.00 0.00 179.25 180.83 2yrn n GLN 55 N -4.78 -0.06 -0.06 0.00 6.02 -0.87 -0.12 117.38 117.52 2yrn n GLN 55 Ca -0.00 1.33 -0.13 0.00 -0.01 0.00 0.00 57.00 58.19 2yrn n GLN 55 Cb 0.06 -2.41 -0.11 0.00 1.02 0.00 0.00 30.24 28.80 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 1.56 -0.30 5.09 5.03 -1.49 -3.29 117.51 124.11 2yrn h ILE 56 Ca 0.83 -2.04 0.07 0.00 -0.12 0.00 0.00 64.86 63.60 2yrn h ILE 56 Cb 2.24 2.88 -0.08 0.00 -3.03 0.00 0.00 36.82 38.83 2yrn h ILE 56 CO -0.72 0.50 -0.25 0.40 -0.68 0.00 0.00 178.15 177.41 2yrn h ILE 57 N -0.93 0.37 0.00 -0.67 2.04 -0.26 0.50 117.51 118.55 2yrn h ILE 57 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2yrn h ILE 57 Cb 0.83 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2yrn h ILE 57 CO 0.00 0.00 0.21 1.56 0.00 0.00 0.00 178.15 179.92 2yrn h GLN 58 N -0.23 0.00 0.00 2.37 4.20 -0.80 0.27 115.11 120.93 2yrn h GLN 58 Ca 0.16 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2yrn h GLN 58 Cb 0.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2yrn h GLN 58 CO -0.43 0.00 -0.75 0.28 -0.67 0.00 0.00 178.83 177.26 2yrn n VAL 59 N -2.49 1.45 0.30 -0.54 0.31 0.15 -1.18 118.33 116.33 2yrn n VAL 59 Ca -0.02 0.17 0.16 0.00 -0.01 0.00 0.00 64.34 64.64 2yrn n VAL 59 Cb 0.25 -2.35 0.95 0.00 -0.91 0.00 0.00 33.84 31.78 2yrn n VAL 59 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2yrn h VAL 60 N -1.00 0.47 0.00 2.52 3.04 -0.42 -1.08 116.25 119.78 2yrn h VAL 60 Ca -0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2yrn h VAL 60 Cb 0.72 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2yrn h VAL 60 CO -0.02 0.00 -1.68 0.00 -1.01 0.00 0.00 177.57 174.86 2yrn n ALA 61 N -2.30 3.41 -3.29 3.17 0.00 0.93 -4.93 120.51 117.51 2yrn n ALA 61 Ca -0.03 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.71 2yrn n ALA 61 Cb 0.08 -0.75 0.08 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.01 -2.63 -3.73 0.00 3.02 -0.41 -5.02 115.26 104.48 2yrn n ASN 62 Ca -0.01 -0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 53.90 2yrn n ASN 62 Cb 0.49 -4.57 -0.06 0.00 -0.61 0.00 0.00 39.78 35.04 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2yrn s GLU 63 N -5.35 1.00 -0.08 3.52 2.56 -0.32 -5.00 118.70 115.02 2yrn s GLU 63 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.24 2yrn s GLU 63 Cb -0.04 0.42 -0.03 0.00 2.00 0.00 0.00 34.13 36.49 2yrn s GLU 63 CO 0.64 -0.37 -0.07 0.21 -0.56 0.00 0.00 175.26 175.11 2yrn s LYS 64 N -3.83 2.89 -0.34 4.30 2.20 -1.26 -4.05 119.74 119.65 2yrn s LYS 64 Ca 0.04 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 2yrn s LYS 64 Cb 0.03 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2yrn s LYS 64 CO -0.11 0.58 0.23 0.42 -0.36 0.00 0.00 175.35 176.11 2yrn s ILE 65 N -0.58 5.18 -0.18 5.43 1.01 -1.26 -4.94 121.20 125.86 2yrn s ILE 65 Ca 0.09 -0.27 0.19 0.00 0.00 0.00 0.00 60.65 60.65 2yrn s ILE 65 Cb -0.12 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.84 2yrn s ILE 65 CO 0.02 -0.01 1.55 -0.33 0.00 0.00 0.00 174.94 176.17 2yrn h GLU 66 N 8.48 0.00 -1.89 2.79 5.08 -1.99 -3.28 114.58 123.76 2yrn h GLU 66 Ca -0.31 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 2yrn h GLU 66 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2yrn h GLU 66 CO 0.63 0.33 0.07 -3.47 -1.00 0.00 0.00 179.01 175.58 2yrn n ASP 67 N -3.22 5.63 -4.11 1.42 2.03 -1.26 -4.77 116.55 112.27 2yrn n ASP 67 Ca 0.02 -2.59 -0.33 0.00 0.52 0.00 0.00 54.79 52.41 2yrn n ASP 67 Cb 0.63 -1.14 -0.15 0.00 -0.72 0.00 0.00 41.12 39.75 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2yrn s ILE 68 N -0.50 2.47 0.02 5.18 -1.09 -1.24 -4.53 121.20 121.51 2yrn s ILE 68 Ca 0.14 -1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 56.98 2yrn s ILE 68 Cb 0.09 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 2yrn s ILE 68 CO -0.01 -0.04 1.10 -1.13 -1.23 0.00 0.00 174.94 173.63 2yrn h ASN 69 N 7.86 -0.29 0.00 3.58 -1.24 -1.92 -3.48 115.58 120.09 2yrn h ASN 69 Ca -0.21 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2yrn h ASN 69 Cb 1.05 0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2yrn h ASN 69 CO 0.49 -0.09 0.00 0.61 -1.29 0.00 0.00 177.43 177.15 2yrn n GLY 70 N -1.08 2.13 2.70 1.57 0.00 -1.26 -4.97 105.19 104.28 2yrn n GLY 70 Ca -0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.69 4.25 0.00 0.00 0.04 -1.26 -4.95 135.00 132.39 2yrn s PRO 72 Ca 0.27 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2yrn s PRO 72 Cb -0.04 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2yrn s PRO 72 CO -0.16 -0.19 0.00 0.36 0.04 0.00 0.00 177.00 177.05 2yrn n LYS 73 N 0.51 0.86 -1.72 4.56 0.00 -1.26 -4.91 118.16 116.20 2yrn n LYS 73 Ca 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.03 2yrn n LYS 73 Cb 0.44 -0.89 0.22 0.00 -0.00 0.00 0.00 35.03 34.80 2yrn n LYS 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2yrn n ASN 74 N -2.11 -0.39 0.12 -5.58 4.13 -1.26 -4.99 115.26 105.17 2yrn n ASN 74 Ca 0.00 -1.41 -0.11 0.00 1.68 0.00 0.00 54.58 54.73 2yrn n ASN 74 Cb 0.39 -1.02 -0.07 0.00 -1.54 0.00 0.00 39.78 37.54 2yrn n ASN 74 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2yrn h ARG 75 N 0.00 -0.34 -0.15 3.52 1.12 -2.02 -3.31 114.38 113.20 2yrn h ARG 75 Ca -0.43 0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.32 2yrn h ARG 75 Cb 1.21 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 2yrn h ARG 75 CO 0.30 0.01 -0.53 1.03 -3.11 0.00 0.00 179.97 177.66 2yrn h SER 76 N -0.89 0.47 -1.28 -3.80 0.87 -2.00 -3.15 113.55 103.77 2yrn h SER 76 Ca -0.04 -0.25 0.46 0.00 -1.23 0.00 0.00 61.79 60.74 2yrn h SER 76 Cb 0.51 -0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.18 2yrn h SER 76 CO 0.06 0.92 0.79 1.56 -0.53 0.00 0.00 176.83 179.63 2yrn h GLN 77 N 0.33 0.01 0.08 2.24 1.08 -1.95 1.85 115.11 118.75 2yrn h GLN 77 Ca 0.01 -0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 2yrn h GLN 77 Cb 1.05 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 2yrn h GLN 77 CO 0.09 0.01 -1.17 0.52 -0.95 0.00 0.00 178.83 177.34 2yrn h MET 78 N 0.02 0.16 -0.60 1.46 2.86 -1.66 -3.32 114.93 113.85 2yrn h MET 78 Ca 0.87 -0.27 0.11 0.00 -2.06 0.00 0.00 59.70 58.34 2yrn h MET 78 Cb 2.65 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 34.33 2yrn h MET 78 CO -0.55 1.12 0.14 0.82 1.06 0.00 0.00 176.91 179.51 2yrn h ILE 79 N 0.04 0.66 0.09 -1.22 1.08 0.28 -2.75 117.51 115.69 2yrn h ILE 79 Ca -0.09 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2yrn h ILE 79 Cb 1.90 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2yrn h ILE 79 CO 0.17 0.05 -0.34 -0.33 -0.69 0.00 0.00 178.15 177.02 2yrn h GLU 80 N 0.28 -0.47 0.00 2.37 5.08 -1.57 -0.07 114.58 120.21 2yrn h GLU 80 Ca 0.31 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2yrn h GLU 80 Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2yrn h GLU 80 CO -0.38 -0.31 0.00 0.09 -1.00 0.00 0.00 179.01 177.40 2yrn n ASN 81 N -4.36 0.00 -0.33 1.42 3.02 -1.04 0.11 115.26 114.08 2yrn n ASN 81 Ca -0.05 0.68 0.23 0.00 -0.03 0.00 0.00 54.58 55.40 2yrn n ASN 81 Cb 0.26 -0.29 0.50 0.00 -0.61 0.00 0.00 39.78 39.64 2yrn n ASN 81 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2yrn h ILE 82 N 0.00 0.52 -0.07 2.41 2.04 -1.49 0.30 117.51 121.22 2yrn h ILE 82 Ca 0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2yrn h ILE 82 Cb 0.00 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2yrn h ILE 82 CO 0.00 0.07 0.04 -0.78 0.00 0.00 0.00 178.15 177.48 2yrn h ASP 83 N 0.40 0.08 -0.80 1.72 3.58 0.28 -2.29 116.42 119.39 2yrn h ASP 83 Ca 0.60 -0.04 0.11 0.00 0.42 0.00 0.00 57.03 58.12 2yrn h ASP 83 Cb 1.50 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.45 2yrn h ASP 83 CO -0.31 0.10 0.43 0.00 -2.88 0.00 0.00 179.24 176.58 2yrn h ALA 84 N 0.98 1.15 -0.73 -0.78 0.00 0.17 -0.48 119.26 119.59 2yrn h ALA 84 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2yrn h ALA 84 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2yrn h ALA 84 CO -0.00 -0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.60 2yrn h LEU 86 N 1.02 -0.01 -1.10 0.00 3.38 -0.57 -0.02 115.31 118.01 2yrn h LEU 86 Ca 0.25 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2yrn h LEU 86 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yrn h LEU 86 CO -0.03 0.33 -0.22 0.78 0.09 0.00 0.00 178.44 179.39 2yrn h ASN 87 N -0.35 0.37 -0.32 -0.43 2.35 -1.04 -0.32 115.58 115.84 2yrn h ASN 87 Ca -0.00 -0.11 -0.18 0.00 -0.55 0.00 0.00 56.30 55.46 2yrn h ASN 87 Cb 0.34 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2yrn h ASN 87 CO 0.00 0.59 -0.50 0.15 -1.65 0.00 0.00 177.43 176.03 2yrn h PHE 88 N 0.34 1.11 -0.20 1.19 3.04 -0.49 -3.06 116.94 118.88 2yrn h PHE 88 Ca 0.06 -0.38 -0.16 0.00 3.98 0.00 0.00 57.97 61.47 2yrn h PHE 88 Cb 0.57 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.87 2yrn h PHE 88 CO 0.01 1.21 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.94 2yrn h LEU 89 N 0.70 0.78 -1.20 0.59 3.38 -0.79 -3.16 115.31 115.62 2yrn h LEU 89 Ca 0.03 -0.57 0.17 0.00 0.09 0.00 0.00 57.88 57.59 2yrn h LEU 89 Cb 1.10 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2yrn h LEU 89 CO 0.11 1.21 0.60 0.00 0.09 0.00 0.00 178.44 180.46 2yrn h ALA 90 N 0.59 1.81 0.00 1.53 0.00 -1.08 0.42 119.26 122.53 2yrn h ALA 90 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2yrn h ALA 90 Cb 1.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2yrn h ALA 90 CO 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.22 2yrn h ALA 91 N 1.60 1.06 0.00 0.00 0.00 -1.49 -1.78 119.26 118.65 2yrn h ALA 91 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2yrn h ALA 91 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2yrn h ALA 91 CO -0.26 0.05 -0.61 0.87 0.00 0.00 0.00 179.25 179.30 2yrn h LYS 92 N 0.00 0.00 0.00 0.00 1.79 -0.22 -3.47 116.57 114.67 2yrn h LYS 92 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2yrn h LYS 92 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2yrn h LYS 92 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 2yrn n GLY 93 N 1.20 1.73 3.21 3.86 0.00 -0.67 -5.11 105.19 109.41 2yrn n GLY 93 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 2.48 0.26 -0.61 1.01 -1.11 -4.98 121.20 116.26 2yrn s ILE 94 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 2yrn s ILE 94 Cb 0.00 -2.05 -0.12 0.00 0.01 0.00 0.00 42.46 40.30 2yrn s ILE 94 CO 0.00 0.52 1.64 0.21 0.00 0.00 0.00 174.94 177.30 2yrn s ASN 95 N 1.05 6.37 0.00 3.58 3.84 -1.26 -3.60 114.94 124.92 2yrn s ASN 95 Ca -0.01 2.93 0.00 0.00 0.21 0.00 0.00 52.86 55.99 2yrn s ASN 95 Cb -0.15 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 2yrn s ASN 95 CO -0.05 -0.94 0.00 2.30 -2.79 0.00 0.00 177.10 175.63 2yrn n ILE 96 N 2.79 0.00 -0.30 -5.21 -5.35 -1.26 -4.81 119.36 105.22 2yrn n ILE 96 Ca 0.11 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.60 2yrn n ILE 96 Cb 0.37 -0.51 0.06 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.35 -0.14 -0.15 6.28 1.13 -1.26 0.10 117.38 121.98 2yrn n GLN 97 Ca 0.00 1.25 -0.05 0.00 -1.94 0.00 0.00 57.00 56.26 2yrn n GLN 97 Cb 0.27 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 28.80 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 0.66 -1.20 1.08 0.00 -2.01 -3.43 103.07 98.16 2yrn h GLY 98 Ca 0.32 -0.16 -0.48 0.00 0.00 0.00 0.00 47.33 47.01 2yrn h GLY 98 CO -0.81 0.10 0.12 1.08 0.00 0.00 0.00 176.54 177.03 2yrn s LEU 99 N -10.27 1.91 -0.23 3.11 1.43 0.28 -5.04 118.68 109.87 2yrn s LEU 99 Ca -0.13 1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 2yrn s LEU 99 Cb 0.13 -4.07 0.12 0.00 0.03 0.00 0.00 46.19 42.40 2yrn s LEU 99 CO 0.73 -3.69 0.30 -0.44 0.23 0.00 0.00 176.35 173.49 2yrn s SER 100 N -2.54 0.87 0.24 2.29 0.01 -1.26 -5.00 113.70 108.31 2yrn s SER 100 Ca 0.68 -0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.76 2yrn s SER 100 Cb -0.24 0.74 0.35 0.00 0.21 0.00 0.00 66.02 67.08 2yrn s SER 100 CO 0.61 -0.32 1.60 0.00 0.41 0.00 0.00 173.24 175.54 2yrn h ALA 101 N 8.25 0.57 -0.27 1.44 0.00 -1.93 0.85 119.26 128.16 2yrn h ALA 101 Ca -0.18 0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2yrn h ALA 101 Cb 1.15 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2yrn h ALA 101 CO 0.28 -0.41 -0.15 1.49 0.00 0.00 0.00 179.25 180.46 2yrn h GLU 102 N 0.01 -0.12 -0.45 0.00 4.81 -1.96 0.12 114.58 117.00 2yrn h GLU 102 Ca 0.39 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.67 2yrn h GLU 102 Cb 0.61 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2yrn h GLU 102 CO -0.79 -0.08 0.21 0.93 -0.73 0.00 0.00 179.01 178.55 2yrn h GLU 103 N -0.12 0.40 -0.76 1.92 4.39 -1.32 -1.49 114.58 117.61 2yrn h GLU 103 Ca 0.15 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2yrn h GLU 103 Cb 0.34 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 2yrn h GLU 103 CO -0.35 0.27 0.48 0.82 -1.16 0.00 0.00 179.01 179.07 2yrn h ILE 104 N 0.42 1.10 -0.04 3.13 2.04 -0.37 -1.23 117.51 122.55 2yrn h ILE 104 Ca 0.20 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2yrn h ILE 104 Cb 0.13 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2yrn h ILE 104 CO -0.15 0.17 -0.21 -0.09 0.00 0.00 0.00 178.15 177.87 2yrn h ARG 105 N 0.92 0.06 0.00 2.37 2.43 -0.38 -2.05 114.38 117.72 2yrn h ARG 105 Ca 0.31 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 2yrn h ARG 105 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2yrn h ARG 105 CO -0.12 0.27 -0.47 -0.91 -1.51 0.00 0.00 179.97 177.23 2yrn h ASN 106 N 0.05 0.00 0.00 -3.80 2.35 -0.24 -3.45 115.58 110.50 2yrn h ASN 106 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2yrn h ASN 106 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2yrn h ASN 106 CO 0.03 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 176.89 2yrn n GLY 107 N 0.62 1.01 3.57 2.83 0.00 -0.71 -5.03 105.19 107.49 2yrn n GLY 107 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2yrn n GLY 107 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yrn s ASN 108 N -2.00 5.43 0.19 1.61 2.47 -0.94 -4.83 114.94 116.87 2yrn s ASN 108 Ca 0.00 0.90 -0.26 0.00 0.42 0.00 0.00 52.86 53.93 2yrn s ASN 108 Cb 0.00 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.33 2yrn s ASN 108 CO 0.00 -2.15 1.55 0.25 -3.72 0.00 0.00 177.10 173.03 2yrn h LEU 109 N 15.63 -1.86 -1.00 3.21 5.85 -1.95 0.67 115.31 135.88 2yrn h LEU 109 Ca -0.30 0.32 0.40 0.00 0.84 0.00 0.00 57.88 59.14 2yrn h LEU 109 Cb 1.18 0.87 -0.18 0.00 0.37 0.00 0.00 40.66 42.90 2yrn h LEU 109 CO 1.12 -0.26 0.46 0.29 -0.34 0.00 0.00 178.44 179.71 2yrn n LYS 110 N -5.34 -0.06 0.08 1.25 4.76 -1.26 0.12 118.16 117.70 2yrn n LYS 110 Ca 0.05 1.39 -0.04 0.00 -2.87 0.00 0.00 58.31 56.84 2yrn n LYS 110 Cb 0.32 -2.45 -0.02 0.00 -1.84 0.00 0.00 35.03 31.04 2yrn n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yrn h ALA 111 N 1.99 -0.37 -0.29 7.82 0.00 -0.04 -2.81 119.26 125.55 2yrn h ALA 111 Ca 0.81 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.70 2yrn h ALA 111 Cb 2.08 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.90 2yrn h ALA 111 CO -0.79 -0.35 -0.55 0.82 0.00 0.00 0.00 179.25 178.37 2yrn h ILE 112 N -0.71 0.00 -0.73 0.00 5.03 -0.22 -0.61 117.51 120.28 2yrn h ILE 112 Ca -0.03 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.88 2yrn h ILE 112 Cb 0.20 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.88 2yrn h ILE 112 CO 0.04 0.00 0.10 -0.07 -0.68 0.00 0.00 178.15 177.55 2yrn h LEU 113 N -0.48 -0.14 -1.07 1.44 3.38 -0.49 0.13 115.31 118.10 2yrn h LEU 113 Ca 0.06 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2yrn h LEU 113 Cb 0.63 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 2yrn h LEU 113 CO -0.53 -0.10 0.62 1.23 0.09 0.00 0.00 178.44 179.75 2yrn h GLY 114 N 0.19 1.48 0.99 0.83 0.00 -0.88 0.90 103.07 106.58 2yrn h GLY 114 Ca 0.41 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2yrn h GLY 114 CO -0.57 0.27 -0.48 -2.00 0.00 0.00 0.00 176.54 173.77 2yrn h LEU 115 N 1.07 -1.13 -2.05 3.11 6.46 0.32 -2.19 115.31 120.89 2yrn h LEU 115 Ca 0.44 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 2yrn h LEU 115 Cb 0.28 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2yrn h LEU 115 CO -0.19 -0.80 0.00 -0.26 -0.62 0.00 0.00 178.44 176.57 2yrn h PHE 116 N -1.34 0.00 -0.29 1.25 0.04 -1.28 0.20 116.94 115.51 2yrn h PHE 116 Ca -0.14 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.45 2yrn h PHE 116 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 2yrn h PHE 116 CO 0.00 0.00 -0.52 0.35 -0.60 0.00 0.00 178.31 177.55 2yrn h PHE 117 N 0.00 1.09 0.08 -0.55 3.04 -0.32 -2.71 116.94 117.58 2yrn h PHE 117 Ca 0.00 -0.38 -0.29 0.00 3.98 0.00 0.00 57.97 61.28 2yrn h PHE 117 Cb 0.17 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 2yrn h PHE 117 CO 0.00 1.21 -1.52 1.03 -2.02 0.00 0.00 178.31 177.01 2yrn h SER 118 N 0.65 0.27 -0.73 0.41 0.87 -0.80 -3.36 113.55 110.86 2yrn h SER 118 Ca 0.02 -0.78 0.13 0.00 -1.23 0.00 0.00 61.79 59.93 2yrn h SER 118 Cb 1.13 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.91 2yrn h SER 118 CO 0.12 1.65 0.29 0.25 -0.53 0.00 0.00 176.83 178.60 2yrn h LEU 119 N -0.41 0.27 -2.83 2.23 5.85 -1.10 0.42 115.31 119.74 2yrn h LEU 119 Ca -0.35 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2yrn h LEU 119 Cb 1.69 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 2yrn h LEU 119 CO -0.02 0.11 0.00 0.77 -0.34 0.00 0.00 178.44 178.97 2yrn h SER 120 N 0.44 0.00 0.04 1.25 4.64 -1.65 -2.09 113.55 116.19 2yrn h SER 120 Ca 0.40 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.59 2yrn h SER 120 Cb 0.58 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2yrn h SER 120 CO -0.39 0.00 -0.54 0.03 -0.87 0.00 0.00 176.83 175.06 2yrn h ARG 121 N 0.00 0.29 -0.71 4.77 3.08 -0.32 -2.37 114.38 119.12 2yrn h ARG 121 Ca 0.00 -0.37 0.21 0.00 0.07 0.00 0.00 59.98 59.89 2yrn h ARG 121 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2yrn h ARG 121 CO -0.00 1.10 0.80 -0.92 -1.07 0.00 0.00 179.97 179.88 2yrn h TYR 122 N -0.35 0.00 0.00 3.04 5.03 -1.02 0.42 116.97 124.09 2yrn h TYR 122 Ca -0.08 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.18 2yrn h TYR 122 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 2yrn h TYR 122 CO 0.18 0.00 -0.91 1.17 -1.32 0.00 0.00 178.16 177.28 2yrn n LYS 123 N -3.50 0.50 0.33 1.82 3.00 -1.22 -3.69 118.16 115.41 2yrn n LYS 123 Ca 0.15 0.38 0.15 0.00 -0.00 0.00 0.00 58.31 59.00 2yrn n LYS 123 Cb 1.05 -1.58 0.82 0.00 0.00 0.00 0.00 35.03 35.32 2yrn n LYS 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2yrn h GLN 124 N -1.00 0.00 0.00 1.64 3.07 -0.82 0.43 115.11 118.43 2yrn h GLN 124 Ca -0.08 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.42 2yrn h GLN 124 Cb 0.84 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.36 2yrn h GLN 124 CO -0.05 0.00 -1.37 1.96 0.09 0.00 0.00 178.83 179.46 2yrn h GLN 125 N 0.00 0.00 -1.82 0.06 4.20 -0.36 -3.34 115.11 113.85 2yrn h GLN 125 Ca 0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.40 2yrn h GLN 125 Cb 0.68 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.34 2yrn h GLN 125 CO -0.00 0.70 0.23 1.04 -0.67 0.00 0.00 178.83 180.13 2yrn n GLN 126 N -3.17 1.93 -1.49 1.46 1.13 0.15 -4.97 117.38 112.42 2yrn n GLN 126 Ca -0.09 -1.53 -0.43 0.00 -1.94 0.00 0.00 57.00 53.00 2yrn n GLN 126 Cb 0.99 -1.77 -0.00 0.00 0.11 0.00 0.00 30.24 29.56 2yrn n GLN 126 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2yrn n GLN 127 N 1.01 0.71 -3.84 -1.09 3.00 -1.25 -4.96 117.38 110.97 2yrn n GLN 127 Ca 0.34 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 57.26 2yrn n GLN 127 Cb 0.61 -1.53 -0.05 0.00 0.00 0.00 0.00 30.24 29.28 2yrn n GLN 127 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2yrn s GLN 128 N -1.49 3.50 0.00 -1.09 -2.07 -1.26 -5.16 119.66 112.09 2yrn s GLN 128 Ca 0.62 -0.24 0.16 0.00 -1.82 0.00 0.00 55.36 54.08 2yrn s GLN 128 Cb -0.68 -3.06 0.93 0.00 -1.09 0.00 0.00 33.01 29.11 2yrn s GLN 128 CO 0.58 0.64 1.34 -0.35 -1.32 0.00 0.00 175.29 176.19