#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrn s SER 2 N 0.00 -0.11 -0.23 1.61 1.04 -1.26 -5.18 113.70 109.57 2yrn s SER 2 Ca 0.00 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 2yrn s SER 2 Cb 0.00 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.89 2yrn s SER 2 CO 0.00 -1.17 1.20 -0.94 0.98 0.00 0.00 173.24 173.31 2yrn s SER 3 N -3.01 -0.19 0.00 7.02 1.04 -1.26 -5.16 113.70 112.14 2yrn s SER 3 Ca 0.21 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2yrn s SER 3 Cb -0.01 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2yrn s SER 3 CO 0.09 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2yrn n GLY 4 N 0.63 3.64 3.41 7.32 0.00 -1.26 -5.17 105.19 113.76 2yrn n GLY 4 Ca -0.05 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 2yrn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrn s SER 5 N 0.00 -0.49 -0.04 1.61 1.04 -1.26 -5.17 113.70 109.39 2yrn s SER 5 Ca 0.00 0.75 -0.21 0.00 0.48 0.00 0.00 55.95 56.96 2yrn s SER 5 Cb 0.00 0.76 0.04 0.00 0.10 0.00 0.00 66.02 66.93 2yrn s SER 5 CO 0.00 -0.35 0.46 -0.94 0.98 0.00 0.00 173.24 173.39 2yrn s SER 6 N -0.47 -0.39 -0.03 7.02 1.04 -1.26 -5.17 113.70 114.45 2yrn s SER 6 Ca -0.06 0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.77 2yrn s SER 6 Cb -0.03 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2yrn s SER 6 CO 0.04 -0.50 -0.10 -0.83 0.98 0.00 0.00 173.24 172.83 2yrn s GLY 7 N -1.20 0.58 -0.30 7.32 0.00 -1.26 -5.12 107.32 107.35 2yrn s GLY 7 Ca -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 2yrn s GLY 7 CO 0.06 -0.09 -0.01 0.54 0.00 0.00 0.00 173.10 173.60 2yrn s LYS 8 N 0.22 2.34 -1.19 2.90 1.02 -1.26 -5.04 119.74 118.73 2yrn s LYS 8 Ca -0.04 -1.33 -0.21 0.00 0.02 0.00 0.00 55.97 54.41 2yrn s LYS 8 Cb -0.09 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2yrn s LYS 8 CO 0.01 -0.64 1.84 1.03 -0.92 0.00 0.00 175.35 176.66 2yrn s ARG 9 N 1.20 3.09 0.01 1.68 3.00 -1.26 -4.90 118.95 121.78 2yrn s ARG 9 Ca -0.05 -1.39 0.02 0.00 0.00 0.00 0.00 55.73 54.32 2yrn s ARG 9 Cb -0.20 -5.34 -0.01 0.00 0.00 0.00 0.00 34.95 29.40 2yrn s ARG 9 CO -0.02 -3.22 -0.08 -1.59 0.00 0.00 0.00 175.30 170.39 2yrn s LYS 10 N 5.64 0.58 -0.42 3.54 -2.85 -1.26 -5.10 119.74 119.87 2yrn s LYS 10 Ca 0.62 -0.45 -0.28 0.00 -1.00 0.00 0.00 55.97 54.86 2yrn s LYS 10 Cb 0.00 -0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 35.25 2yrn s LYS 10 CO 0.09 0.13 1.74 -1.25 0.10 0.00 0.00 175.35 176.16 2yrn s PRO 11 N -0.69 3.20 -0.07 1.78 0.04 -1.26 -4.97 135.00 133.03 2yrn s PRO 11 Ca -0.01 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 2yrn s PRO 11 Cb -0.05 -4.21 0.02 0.00 0.04 0.00 0.00 34.50 30.29 2yrn s PRO 11 CO 0.00 -2.03 0.19 0.54 0.04 0.00 0.00 177.00 175.74 2yrn s VAL 12 N 7.18 -0.01 0.18 -0.36 0.11 -1.26 -5.15 120.40 121.09 2yrn s VAL 12 Ca 0.73 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 59.63 2yrn s VAL 12 Cb -0.18 -0.27 -0.08 0.00 -1.53 0.00 0.00 36.38 34.32 2yrn s VAL 12 CO 0.30 0.01 0.64 -0.63 -3.33 0.00 0.00 175.10 172.09 2yrn s ILE 13 N 0.25 4.70 -0.88 7.04 -1.09 -1.26 -5.03 121.20 124.93 2yrn s ILE 13 Ca -0.01 1.09 -0.05 0.00 -2.23 0.00 0.00 60.65 59.44 2yrn s ILE 13 Cb -0.03 -3.81 0.22 0.00 -1.58 0.00 0.00 42.46 37.27 2yrn s ILE 13 CO -0.01 0.24 0.78 -1.00 -1.23 0.00 0.00 174.94 173.71 2yrn s HIS 14 N -1.48 3.86 1.00 3.97 3.76 -1.26 -5.05 115.29 120.09 2yrn s HIS 14 Ca 0.40 -2.77 -0.18 0.00 -0.15 0.00 0.00 55.06 52.36 2yrn s HIS 14 Cb -0.16 -3.42 -0.13 0.00 1.11 0.00 0.00 32.58 29.97 2yrn s HIS 14 CO 0.20 -0.83 -0.77 0.41 -0.85 0.00 0.00 174.74 172.90 2yrn n GLY 15 N 2.83 -4.22 0.31 -2.22 0.00 -1.26 -3.59 105.19 97.04 2yrn n GLY 15 Ca 0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 2.98 -0.65 -0.20 0.99 4.77 -1.26 0.14 117.00 123.77 2yrn n LEU 16 Ca -0.01 1.37 -0.01 0.00 -0.03 0.00 0.00 56.01 57.33 2yrn n LEU 16 Cb 0.58 -0.25 0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2yrn n LEU 16 CO 0.52 -1.18 1.03 1.05 -1.33 0.00 0.00 177.39 177.47 2yrn h GLU 17 N 0.00 0.50 -0.76 3.23 4.11 -2.02 -1.02 114.58 118.61 2yrn h GLU 17 Ca 0.20 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.65 2yrn h GLU 17 Cb 0.40 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2yrn h GLU 17 CO -0.75 0.33 0.50 -0.44 0.07 0.00 0.00 179.01 178.71 2yrn h ASP 18 N 0.51 0.75 -0.41 3.06 3.32 0.10 -2.22 116.42 121.54 2yrn h ASP 18 Ca 0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2yrn h ASP 18 Cb 0.28 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2yrn h ASP 18 CO -0.24 0.50 0.27 1.56 -1.72 0.00 0.00 179.24 179.61 2yrn h GLN 19 N 0.86 0.53 -0.93 3.56 4.20 0.44 -2.60 115.11 121.17 2yrn h GLN 19 Ca 0.31 -0.03 0.26 0.00 0.06 0.00 0.00 58.65 59.26 2yrn h GLN 19 Cb 0.15 -0.12 -0.16 0.00 0.30 0.00 0.00 27.48 27.65 2yrn h GLN 19 CO -0.10 0.35 0.14 -0.22 -0.67 0.00 0.00 178.83 178.33 2yrn h LYS 20 N 0.55 0.08 0.31 1.46 3.64 -1.12 0.24 116.57 121.72 2yrn h LYS 20 Ca 0.15 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2yrn h LYS 20 Cb -0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2yrn h LYS 20 CO -0.04 0.05 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.96 2yrn h ARG 21 N 0.08 -0.40 -0.95 1.90 2.43 -1.54 -2.27 114.38 113.64 2yrn h ARG 21 Ca 0.59 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.95 2yrn h ARG 21 Cb 1.24 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.72 2yrn h ARG 21 CO -0.80 -0.09 -0.33 -0.89 -1.51 0.00 0.00 179.97 176.35 2yrn n ILE 22 N -5.14 -0.47 -0.00 1.20 5.41 0.02 -0.18 119.36 120.20 2yrn n ILE 22 Ca -0.10 2.22 -0.12 0.00 1.00 0.00 0.00 62.75 65.75 2yrn n ILE 22 Cb 0.26 -2.97 -0.07 0.00 -0.71 0.00 0.00 39.64 36.15 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 0.08 -0.61 1.39 0.05 -1.41 -2.77 116.97 113.70 2yrn h TYR 23 Ca 0.37 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.20 2yrn h TYR 23 Cb 0.61 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.23 2yrn h TYR 23 CO -0.81 0.25 -0.52 1.15 -1.05 0.00 0.00 178.16 177.18 2yrn h THR 24 N -0.12 0.00 -0.63 -2.88 2.02 0.06 0.97 112.91 112.34 2yrn h THR 24 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 2yrn h THR 24 Cb 0.21 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.54 2yrn h THR 24 CO -0.00 0.00 0.21 -0.78 0.37 0.00 0.00 175.52 175.32 2yrn h ASP 25 N -0.21 0.17 -0.25 4.18 1.82 -1.29 0.70 116.42 121.54 2yrn h ASP 25 Ca 0.10 0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.89 2yrn h ASP 25 Cb 0.47 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.51 2yrn h ASP 25 CO -0.68 0.09 -0.14 -0.25 -1.61 0.00 0.00 179.24 176.64 2yrn h TRP 26 N 0.37 -0.36 -0.36 0.28 7.01 -0.61 -2.27 115.95 120.01 2yrn h TRP 26 Ca 0.32 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.33 2yrn h TRP 26 Cb 0.44 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 2yrn h TRP 26 CO -0.19 -0.21 0.11 0.00 -2.79 0.00 0.00 178.44 175.36 2yrn h ALA 27 N 1.06 0.47 -0.79 2.65 0.00 -0.20 -3.13 119.26 119.33 2yrn h ALA 27 Ca 0.14 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2yrn h ALA 27 Cb 0.33 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.84 2yrn h ALA 27 CO -0.33 0.11 -0.37 -0.91 0.00 0.00 0.00 179.25 177.76 2yrn h ASN 28 N 0.43 -1.32 -0.90 0.00 2.35 -0.32 0.91 115.58 116.73 2yrn h ASN 28 Ca 0.12 0.27 0.16 0.00 -0.55 0.00 0.00 56.30 56.30 2yrn h ASN 28 Cb 0.25 0.67 -0.16 0.00 0.05 0.00 0.00 38.32 39.13 2yrn h ASN 28 CO -0.00 -0.30 -0.30 -0.74 -1.65 0.00 0.00 177.43 174.44 2yrn h HIS 29 N -0.09 -0.77 -0.42 1.19 -0.00 -1.41 1.35 115.15 115.00 2yrn h HIS 29 Ca 0.28 0.09 0.06 0.00 -0.00 0.00 0.00 60.37 60.81 2yrn h HIS 29 Cb 0.57 0.48 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 2yrn h HIS 29 CO -0.76 -0.40 0.29 1.88 -0.00 0.00 0.00 177.93 178.94 2yrn h TYR 30 N -0.02 0.32 0.09 5.26 -1.99 -0.94 0.26 116.97 119.94 2yrn h TYR 30 Ca 0.38 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 2yrn h TYR 30 Cb 0.63 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2yrn h TYR 30 CO -0.76 0.17 -0.04 -0.07 -0.00 0.00 0.00 178.16 177.45 2yrn h LEU 31 N 0.31 -0.10 -1.23 3.88 3.38 0.20 -2.22 115.31 119.53 2yrn h LEU 31 Ca 0.19 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2yrn h LEU 31 Cb 0.34 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2yrn h LEU 31 CO -0.04 0.55 0.53 0.00 0.09 0.00 0.00 178.44 179.57 2yrn h ALA 32 N -0.32 1.49 -0.04 1.53 0.00 -0.20 -0.79 119.26 120.92 2yrn h ALA 32 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2yrn h ALA 32 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2yrn h ALA 32 CO 0.02 0.44 -0.55 1.57 0.00 0.00 0.00 179.25 180.74 2yrn h LYS 33 N 1.02 0.11 -0.01 0.00 2.10 -0.58 -2.64 116.57 116.57 2yrn h LYS 33 Ca 0.31 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 2yrn h LYS 33 Cb -0.01 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2yrn h LYS 33 CO -0.08 0.63 -0.06 0.45 -2.00 0.00 0.00 179.45 178.39 2yrn n SER 34 N -3.90 0.75 -1.22 7.07 2.88 -0.60 -4.94 113.62 113.66 2yrn n SER 34 Ca -0.02 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2yrn n SER 34 Cb 0.57 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 35 N 1.19 0.00 3.11 0.46 0.00 -0.40 -5.05 105.19 104.50 2yrn n GLY 35 Ca 0.18 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.81 1.41 -0.12 1.61 3.76 -0.61 -4.98 115.29 113.56 2yrn s HIS 36 Ca 0.00 -0.33 0.17 0.00 -0.15 0.00 0.00 55.06 54.76 2yrn s HIS 36 Cb 0.00 -0.94 -0.20 0.00 1.11 0.00 0.00 32.58 32.55 2yrn s HIS 36 CO 0.00 -0.08 0.56 1.63 -0.85 0.00 0.00 174.74 176.00 2yrn n LYS 37 N 2.93 0.65 -3.30 1.40 5.02 -1.26 -4.52 118.16 119.08 2yrn n LYS 37 Ca -0.16 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 2yrn n LYS 37 Cb 0.54 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2yrn s ARG 38 N -2.84 3.80 0.67 1.97 3.52 -1.26 -5.07 118.95 119.74 2yrn s ARG 38 Ca -0.06 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 2yrn s ARG 38 Cb 0.09 -3.74 0.10 0.00 -1.56 0.00 0.00 34.95 29.84 2yrn s ARG 38 CO 0.83 -0.48 0.92 -0.51 -0.81 0.00 0.00 175.30 175.26 2yrn s LEU 39 N 2.25 3.05 -0.74 -0.88 1.43 -1.26 -4.99 118.68 117.53 2yrn s LEU 39 Ca 0.17 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 2yrn s LEU 39 Cb -0.16 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.11 2yrn s LEU 39 CO 0.11 -1.66 0.89 -0.63 0.23 0.00 0.00 176.35 175.29 2yrn s ILE 40 N -3.00 4.82 -0.01 -0.59 1.01 -1.26 -4.91 121.20 117.26 2yrn s ILE 40 Ca 0.64 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2yrn s ILE 40 Cb -0.06 -4.61 -0.09 0.00 0.01 0.00 0.00 42.46 37.71 2yrn s ILE 40 CO 0.42 -1.29 0.78 0.03 0.00 0.00 0.00 174.94 174.89 2yrn h ARG 41 N 8.94 -0.57 -4.51 2.79 3.08 -1.98 -3.42 114.38 118.71 2yrn h ARG 41 Ca -0.10 0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.31 2yrn h ARG 41 Cb 1.06 0.13 -0.36 0.00 0.08 0.00 0.00 29.97 30.88 2yrn h ARG 41 CO 1.07 -0.38 -0.59 -0.51 -1.07 0.00 0.00 179.97 178.49 2yrn s ASP 42 N -4.27 5.12 0.11 7.04 1.11 -1.26 -5.00 116.67 119.53 2yrn s ASP 42 Ca -0.09 -2.09 -0.20 0.00 0.18 0.00 0.00 52.55 50.35 2yrn s ASP 42 Cb 0.01 -1.78 -0.03 0.00 1.07 0.00 0.00 42.92 42.20 2yrn s ASP 42 CO 0.26 -0.50 1.06 -0.11 1.18 0.00 0.00 175.17 177.06 2yrn n LEU 43 N 4.47 -0.70 -0.28 1.23 7.94 -1.26 0.20 117.00 128.59 2yrn n LEU 43 Ca -0.00 1.22 0.10 0.00 -1.11 0.00 0.00 56.01 56.22 2yrn n LEU 43 Cb 0.41 -0.17 0.25 0.00 0.53 0.00 0.00 43.42 44.44 2yrn n LEU 43 CO 0.30 -1.00 0.98 1.56 -1.11 0.00 0.00 177.39 178.11 2yrn h GLN 44 N 0.00 0.30 0.00 1.96 4.20 -1.94 0.68 115.11 120.31 2yrn h GLN 44 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2yrn h GLN 44 Cb 0.29 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2yrn h GLN 44 CO -0.65 0.20 -0.04 1.96 -0.67 0.00 0.00 178.83 179.63 2yrn h GLN 45 N 0.31 0.00 -0.00 1.46 1.08 0.18 0.48 115.11 118.63 2yrn h GLN 45 Ca 0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 2yrn h GLN 45 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2yrn h GLN 45 CO -0.55 0.04 -0.05 -3.47 -0.95 0.00 0.00 178.83 173.85 2yrn n ASP 46 N -3.11 0.15 0.00 1.46 2.03 0.25 -3.72 116.55 113.60 2yrn n ASP 46 Ca 0.03 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2yrn n ASP 46 Cb 0.49 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2yrn n VAL 47 N -1.23 0.00 -0.27 5.18 0.24 -0.46 -1.97 118.33 119.81 2yrn n VAL 47 Ca 0.13 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.51 2yrn n VAL 47 Cb 0.27 0.13 0.23 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.00 0.47 0.00 3.34 1.35 -0.98 0.58 112.91 117.67 2yrn h THR 48 Ca 0.00 -0.10 -0.22 0.00 -0.55 0.00 0.00 66.41 65.54 2yrn h THR 48 Cb 0.18 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.72 2yrn h THR 48 CO 0.00 0.05 -1.11 -2.24 -0.25 0.00 0.00 175.52 171.97 2yrn h ASP 49 N 0.29 0.00 0.00 5.36 3.04 -1.85 -3.42 116.42 119.84 2yrn h ASP 49 Ca 0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.26 2yrn h ASP 49 Cb 0.85 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 2yrn h ASP 49 CO -0.54 1.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.27 2yrn n GLY 50 N 1.38 2.79 0.23 7.15 0.00 0.19 -4.54 105.19 112.40 2yrn n GLY 50 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2yrn n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yrn h VAL 51 N 0.00 0.00 -0.68 1.61 2.07 -1.85 -0.70 116.25 116.69 2yrn h VAL 51 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2yrn h VAL 51 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2yrn h VAL 51 CO 0.00 0.00 0.45 0.25 0.02 0.00 0.00 177.57 178.29 2yrn h LEU 52 N -0.50 0.61 0.16 2.57 6.46 -1.90 -2.27 115.31 120.45 2yrn h LEU 52 Ca -0.04 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2yrn h LEU 52 Cb 0.41 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2yrn h LEU 52 CO 0.01 0.40 -0.21 0.25 -0.62 0.00 0.00 178.44 178.27 2yrn h LEU 53 N 0.70 -0.59 -0.72 2.25 5.85 -1.15 -2.64 115.31 119.02 2yrn h LEU 53 Ca 0.29 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2yrn h LEU 53 Cb 0.26 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2yrn h LEU 53 CO -0.09 -0.31 0.46 0.00 -0.34 0.00 0.00 178.44 178.16 2yrn h ALA 54 N 0.33 0.94 -1.28 1.25 0.00 -0.68 -2.28 119.26 117.54 2yrn h ALA 54 Ca 0.01 -0.03 0.46 0.00 0.00 0.00 0.00 54.91 55.36 2yrn h ALA 54 Cb 0.43 -0.25 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 2yrn h ALA 54 CO -0.09 0.26 0.79 1.96 0.00 0.00 0.00 179.25 182.17 2yrn h GLN 55 N 0.90 0.01 0.00 0.00 4.20 -1.04 0.21 115.11 119.39 2yrn h GLN 55 Ca 0.29 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2yrn h GLN 55 Cb -0.01 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 2yrn h GLN 55 CO -0.10 0.00 -0.01 0.82 -0.67 0.00 0.00 178.83 178.88 2yrn h ILE 56 N 0.01 1.26 -0.65 2.54 5.03 -1.41 -3.23 117.51 121.05 2yrn h ILE 56 Ca 0.87 -1.95 0.14 0.00 -0.12 0.00 0.00 64.86 63.80 2yrn h ILE 56 Cb 2.68 2.38 -0.12 0.00 -3.03 0.00 0.00 36.82 38.73 2yrn h ILE 56 CO -0.55 0.43 -0.08 0.40 -0.68 0.00 0.00 178.15 177.67 2yrn h ILE 57 N -1.00 0.40 -0.89 -0.67 2.04 -0.58 0.30 117.51 117.11 2yrn h ILE 57 Ca -0.00 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2yrn h ILE 57 Cb 0.70 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2yrn h ILE 57 CO -0.00 0.01 0.58 1.56 0.00 0.00 0.00 178.15 180.30 2yrn h GLN 58 N 0.05 0.91 0.09 2.37 4.20 -1.00 0.46 115.11 122.20 2yrn h GLN 58 Ca 0.33 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2yrn h GLN 58 Cb 0.54 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2yrn h GLN 58 CO -0.62 0.60 -0.04 0.28 -0.67 0.00 0.00 178.83 178.38 2yrn h VAL 59 N 0.93 0.00 -0.80 -0.54 2.07 -0.57 0.80 116.25 118.15 2yrn h VAL 59 Ca 0.40 -0.18 0.23 0.00 0.82 0.00 0.00 66.70 67.97 2yrn h VAL 59 Cb 0.33 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2yrn h VAL 59 CO -0.16 0.00 0.57 1.62 0.02 0.00 0.00 177.57 179.62 2yrn h VAL 60 N -0.31 0.61 0.00 2.57 3.04 -0.72 0.45 116.25 121.89 2yrn h VAL 60 Ca -0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2yrn h VAL 60 Cb 0.10 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 2yrn h VAL 60 CO 0.02 0.01 -1.08 0.00 -1.01 0.00 0.00 177.57 175.51 2yrn n ALA 61 N -2.68 3.05 -3.47 3.17 0.00 0.16 -4.95 120.51 115.79 2yrn n ALA 61 Ca 0.16 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2yrn n ALA 61 Cb 0.85 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.20 -6.08 -4.09 0.00 3.02 0.23 -5.00 115.26 101.15 2yrn n ASN 62 Ca 0.01 -0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 2yrn n ASN 62 Cb 0.48 -4.72 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 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 -6.17 0.93 -0.07 3.52 -6.30 0.13 -4.99 118.70 105.74 2yrn s GLU 63 Ca 0.52 -1.33 0.02 0.00 -2.50 0.00 0.00 54.97 51.68 2yrn s GLU 63 Cb -0.23 0.27 -0.03 0.00 0.00 0.00 0.00 34.13 34.14 2yrn s GLU 63 CO 0.65 -0.27 -0.12 -1.59 0.02 0.00 0.00 175.26 173.95 2yrn s LYS 64 N -4.01 2.75 -0.37 4.30 -2.85 -1.26 -4.10 119.74 114.21 2yrn s LYS 64 Ca 0.20 -0.65 -0.08 0.00 -1.00 0.00 0.00 55.97 54.43 2yrn s LYS 64 Cb 0.07 -2.49 0.04 0.00 -2.06 0.00 0.00 37.83 33.39 2yrn s LYS 64 CO -0.01 0.55 0.17 0.42 0.10 0.00 0.00 175.35 176.59 2yrn s ILE 65 N -0.54 4.12 -0.43 3.79 1.01 -1.26 -4.94 121.20 122.96 2yrn s ILE 65 Ca 0.07 -1.11 0.26 0.00 0.00 0.00 0.00 60.65 59.88 2yrn s ILE 65 Cb -0.12 -3.37 0.30 0.00 0.01 0.00 0.00 42.46 39.29 2yrn s ILE 65 CO 0.02 -0.27 1.77 -0.33 0.00 0.00 0.00 174.94 176.13 2yrn h GLU 66 N 8.33 0.00 -1.31 2.79 5.08 -2.00 -3.15 114.58 124.31 2yrn h GLU 66 Ca -0.24 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.91 2yrn h GLU 66 Cb 1.09 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.23 2yrn h GLU 66 CO 0.65 0.00 0.27 -0.25 -1.00 0.00 0.00 179.01 178.68 2yrn n ASP 67 N -2.54 4.65 -4.47 1.42 8.00 -1.26 -4.86 116.55 117.48 2yrn n ASP 67 Ca 0.03 -2.72 -0.30 0.00 0.71 0.00 0.00 54.79 52.51 2yrn n ASP 67 Cb 0.35 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.49 2yrn n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2yrn s ILE 68 N -1.41 2.85 -0.39 0.53 -1.09 -1.19 -4.54 121.20 115.96 2yrn s ILE 68 Ca 0.21 -1.27 -0.09 0.00 -2.23 0.00 0.00 60.65 57.28 2yrn s ILE 68 Cb 0.17 -2.24 0.06 0.00 -1.58 0.00 0.00 42.46 38.87 2yrn s ILE 68 CO 0.02 0.26 0.21 0.21 -1.23 0.00 0.00 174.94 174.41 2yrn s ASN 69 N -1.67 5.56 0.13 3.58 2.47 -1.26 -4.99 114.94 118.76 2yrn s ASN 69 Ca 0.16 -1.33 -0.19 0.00 0.42 0.00 0.00 52.86 51.92 2yrn s ASN 69 Cb -0.11 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2yrn s ASN 69 CO 0.07 -0.45 1.10 0.61 -3.72 0.00 0.00 177.10 174.71 2yrn n GLY 70 N 4.89 -1.75 2.67 1.21 0.00 -1.26 -4.18 105.19 106.77 2yrn n GLY 70 Ca -0.11 0.83 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 2.15 4.30 -0.19 0.00 0.04 -1.26 -4.92 135.00 135.13 2yrn s PRO 72 Ca 0.04 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.19 2yrn s PRO 72 Cb -0.13 -3.43 -0.17 0.00 0.04 0.00 0.00 34.50 30.82 2yrn s PRO 72 CO -0.04 -0.51 -0.07 1.63 0.04 0.00 0.00 177.00 178.05 2yrn n LYS 73 N 4.71 0.89 -4.00 4.56 5.02 -1.26 -4.99 118.16 123.09 2yrn n LYS 73 Ca 0.12 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.22 2yrn n LYS 73 Cb 0.43 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 2yrn n LYS 73 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2yrn s ASN 74 N -5.57 6.02 0.55 4.39 3.84 -1.26 -4.99 114.94 117.91 2yrn s ASN 74 Ca -0.19 0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.14 2yrn s ASN 74 Cb 0.06 -1.72 1.48 0.00 -0.55 0.00 0.00 41.25 40.52 2yrn s ASN 74 CO 0.58 0.03 2.15 0.08 -2.79 0.00 0.00 177.10 177.16 2yrn h ARG 75 N 2.05 0.00 0.13 0.43 -0.00 -2.04 -2.49 114.38 112.47 2yrn h ARG 75 Ca -0.49 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.15 2yrn h ARG 75 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 2yrn h ARG 75 CO 0.65 0.00 -1.85 0.77 -0.00 0.00 0.00 179.97 179.54 2yrn h SER 76 N 0.00 0.44 -1.38 0.08 0.02 -2.01 -3.35 113.55 107.35 2yrn h SER 76 Ca 0.04 -0.92 0.40 0.00 -0.84 0.00 0.00 61.79 60.47 2yrn h SER 76 Cb 0.18 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 2yrn h SER 76 CO -0.00 1.81 1.19 0.00 -1.14 0.00 0.00 176.83 178.69 2yrn n GLN 77 N -3.60 0.01 -0.05 3.45 1.13 -0.94 0.20 117.38 117.58 2yrn n GLN 77 Ca -0.30 0.94 -0.13 0.00 -1.94 0.00 0.00 57.00 55.57 2yrn n GLN 77 Cb 1.02 -2.25 -0.07 0.00 0.11 0.00 0.00 30.24 29.05 2yrn n GLN 77 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2yrn h MET 78 N 0.00 0.32 -0.91 -1.09 2.86 -1.70 -3.26 114.93 111.15 2yrn h MET 78 Ca 0.65 -0.17 0.15 0.00 -2.06 0.00 0.00 59.70 58.27 2yrn h MET 78 Cb 3.03 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 34.55 2yrn h MET 78 CO -0.01 0.73 -0.36 0.82 1.06 0.00 0.00 176.91 179.15 2yrn h ILE 79 N -0.08 0.04 -0.74 -1.22 1.08 0.21 0.46 117.51 117.26 2yrn h ILE 79 Ca 0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.65 2yrn h ILE 79 Cb 0.68 0.04 -0.11 0.00 -3.07 0.00 0.00 36.82 34.36 2yrn h ILE 79 CO 0.03 0.00 0.20 -0.33 -0.69 0.00 0.00 178.15 177.36 2yrn h GLU 80 N -0.03 0.28 0.01 2.37 5.08 -1.61 0.19 114.58 120.87 2yrn h GLU 80 Ca 0.33 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2yrn h GLU 80 Cb 0.60 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2yrn h GLU 80 CO -0.92 0.19 -0.22 -0.91 -1.00 0.00 0.00 179.01 176.14 2yrn h ASN 81 N 0.29 -0.68 -0.67 1.42 4.21 -0.17 0.18 115.58 120.15 2yrn h ASN 81 Ca 0.42 0.08 0.05 0.00 1.21 0.00 0.00 56.30 58.05 2yrn h ASN 81 Cb 0.71 0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 38.12 2yrn h ASN 81 CO -0.50 -0.22 0.39 0.40 -1.29 0.00 0.00 177.43 176.21 2yrn h ILE 82 N -0.28 1.01 -0.08 2.81 2.04 -1.23 -2.74 117.51 119.02 2yrn h ILE 82 Ca 0.00 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2yrn h ILE 82 Cb 0.30 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 2yrn h ILE 82 CO -0.14 0.13 -0.35 -0.78 0.00 0.00 0.00 178.15 177.01 2yrn h ASP 83 N 0.74 -1.07 -0.80 1.72 3.58 -0.20 -0.89 116.42 119.50 2yrn h ASP 83 Ca 0.29 0.15 0.18 0.00 0.42 0.00 0.00 57.03 58.07 2yrn h ASP 83 Cb 0.13 0.44 -0.12 0.00 1.72 0.00 0.00 39.33 41.51 2yrn h ASP 83 CO -0.16 -0.39 0.25 0.00 -2.88 0.00 0.00 179.24 176.06 2yrn h ALA 84 N 0.28 1.11 -0.08 -0.78 0.00 -0.37 -0.32 119.26 119.09 2yrn h ALA 84 Ca 0.08 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2yrn h ALA 84 Cb 0.58 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2yrn h ALA 84 CO -0.34 -0.34 0.05 0.00 0.00 0.00 0.00 179.25 178.63 2yrn h LEU 86 N 0.07 -0.15 -0.81 0.00 3.38 0.18 0.88 115.31 118.86 2yrn h LEU 86 Ca 0.03 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2yrn h LEU 86 Cb 0.05 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2yrn h LEU 86 CO -0.01 -0.05 -0.21 0.78 0.09 0.00 0.00 178.44 179.05 2yrn h ASN 87 N 0.03 0.67 -0.68 -0.43 2.35 -0.98 -2.49 115.58 114.05 2yrn h ASN 87 Ca 0.11 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 2yrn h ASN 87 Cb 0.15 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2yrn h ASN 87 CO -0.21 0.87 0.20 0.15 -1.65 0.00 0.00 177.43 176.80 2yrn h PHE 88 N 0.59 1.12 -0.34 1.19 3.04 0.40 -2.54 116.94 120.39 2yrn h PHE 88 Ca 0.09 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 2yrn h PHE 88 Cb 0.68 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 2yrn h PHE 88 CO 0.03 0.89 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.07 2yrn h LEU 89 N 1.04 0.65 -1.14 0.59 3.38 -0.66 -2.89 115.31 116.27 2yrn h LEU 89 Ca 0.22 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2yrn h LEU 89 Cb 0.31 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2yrn h LEU 89 CO -0.01 0.86 0.59 0.00 0.09 0.00 0.00 178.44 179.97 2yrn h ALA 90 N 0.81 1.52 -0.16 1.53 0.00 -1.27 -0.79 119.26 120.91 2yrn h ALA 90 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2yrn h ALA 90 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2yrn h ALA 90 CO 0.03 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.40 2yrn h ALA 91 N 1.51 1.36 0.00 0.00 0.00 -1.31 -2.24 119.26 118.58 2yrn h ALA 91 Ca 0.40 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2yrn h ALA 91 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2yrn h ALA 91 CO -0.16 0.44 -0.22 0.87 0.00 0.00 0.00 179.25 180.18 2yrn h LYS 92 N 0.25 0.00 0.00 0.00 1.79 -0.96 -3.46 116.57 114.19 2yrn h LYS 92 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2yrn h LYS 92 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2yrn h LYS 92 CO 0.03 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 2yrn n GLY 93 N 0.35 1.08 3.30 3.86 0.00 -0.84 -5.12 105.19 107.81 2yrn n GLY 93 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.93 -0.43 -0.61 1.01 -0.97 -4.97 121.20 115.16 2yrn s ILE 94 Ca 0.00 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.12 2yrn s ILE 94 Cb 0.00 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.84 2yrn s ILE 94 CO 0.00 0.33 0.95 0.21 0.00 0.00 0.00 174.94 176.43 2yrn s ASN 95 N -1.13 6.58 -0.06 3.58 2.47 -1.26 -3.89 114.94 121.23 2yrn s ASN 95 Ca 0.10 0.33 0.14 0.00 0.42 0.00 0.00 52.86 53.84 2yrn s ASN 95 Cb -0.09 -2.47 -0.20 0.00 -1.45 0.00 0.00 41.25 37.04 2yrn s ASN 95 CO 0.02 -1.00 0.22 2.30 -3.72 0.00 0.00 177.10 174.91 2yrn n ILE 96 N 6.31 0.33 -1.48 -5.21 -5.35 -1.26 -4.94 119.36 107.75 2yrn n ILE 96 Ca 0.07 -0.41 -0.58 0.00 -0.27 0.00 0.00 62.75 61.55 2yrn n ILE 96 Cb 0.48 -0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.18 0.00 0.00 6.28 1.13 -1.26 -1.61 117.38 119.74 2yrn n GLN 97 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2yrn n GLN 97 Cb 0.58 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2yrn n GLN 97 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yrn n GLY 98 N 1.98 2.62 3.62 1.08 0.00 -1.26 -5.09 105.19 108.14 2yrn n GLY 98 Ca 0.21 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2yrn n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrn s LEU 99 N 0.00 1.14 -0.23 0.99 1.43 -0.63 -5.07 118.68 116.31 2yrn s LEU 99 Ca 0.00 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 2yrn s LEU 99 Cb 0.00 -3.06 0.12 0.00 0.03 0.00 0.00 46.19 43.28 2yrn s LEU 99 CO 0.00 -3.62 0.34 -0.44 0.23 0.00 0.00 176.35 172.86 2yrn s SER 100 N -3.43 0.44 0.33 2.29 0.01 -1.26 -5.02 113.70 107.06 2yrn s SER 100 Ca 0.67 0.20 0.12 0.00 1.31 0.00 0.00 55.95 58.25 2yrn s SER 100 Cb -0.17 0.96 0.98 0.00 0.21 0.00 0.00 66.02 68.00 2yrn s SER 100 CO 0.58 -0.30 1.69 0.00 0.41 0.00 0.00 173.24 175.63 2yrn h ALA 101 N 8.21 1.85 0.34 1.44 0.00 -1.94 -0.21 119.26 128.95 2yrn h ALA 101 Ca -0.18 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2yrn h ALA 101 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2yrn h ALA 101 CO 0.26 -0.43 -0.16 1.49 0.00 0.00 0.00 179.25 180.41 2yrn h GLU 102 N 0.44 -0.43 -0.80 0.00 4.22 -1.95 -2.26 114.58 113.79 2yrn h GLU 102 Ca 0.69 0.03 0.16 0.00 0.08 0.00 0.00 59.36 60.32 2yrn h GLU 102 Cb 1.45 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.70 2yrn h GLU 102 CO -0.55 -0.19 0.33 0.93 -2.18 0.00 0.00 179.01 177.35 2yrn h GLU 103 N -0.61 0.44 -0.51 1.92 4.39 -1.49 -0.50 114.58 118.22 2yrn h GLU 103 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2yrn h GLU 103 Cb 0.44 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2yrn h GLU 103 CO 0.08 0.29 0.33 0.82 -1.16 0.00 0.00 179.01 179.36 2yrn h ILE 104 N 0.45 1.14 -0.86 3.13 2.04 -1.18 -2.48 117.51 119.75 2yrn h ILE 104 Ca 0.45 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 66.15 2yrn h ILE 104 Cb 0.72 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 2yrn h ILE 104 CO -0.43 0.14 0.48 -0.09 0.00 0.00 0.00 178.15 178.25 2yrn h ARG 105 N 0.69 0.71 0.00 2.37 2.43 -0.49 0.13 114.38 120.21 2yrn h ARG 105 Ca 0.19 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2yrn h ARG 105 Cb -0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2yrn h ARG 105 CO -0.04 0.47 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.78 2yrn h ASN 106 N 0.73 0.00 0.00 -3.80 2.35 -1.02 -3.44 115.58 110.40 2yrn h ASN 106 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2yrn h ASN 106 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2yrn h ASN 106 CO -0.31 0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.28 2yrn n GLY 107 N -0.86 1.56 3.55 2.83 0.00 0.44 -5.02 105.19 107.68 2yrn n GLY 107 Ca -0.02 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.04 5.31 0.12 1.61 2.47 -1.12 -4.87 114.94 116.41 2yrn s ASN 108 Ca 0.00 0.24 -0.24 0.00 0.42 0.00 0.00 52.86 53.28 2yrn s ASN 108 Cb 0.00 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.21 2yrn s ASN 108 CO 0.00 -2.37 1.22 -0.11 -3.72 0.00 0.00 177.10 172.12 2yrn n LEU 109 N 12.64 -0.82 -0.35 3.21 7.94 -1.26 0.10 117.00 138.47 2yrn n LEU 109 Ca 0.20 1.40 0.14 0.00 -1.11 0.00 0.00 56.01 56.65 2yrn n LEU 109 Cb 0.52 -0.19 0.28 0.00 0.53 0.00 0.00 43.42 44.55 2yrn n LEU 109 CO 0.70 -1.13 0.78 0.29 -1.11 0.00 0.00 177.39 176.92 2yrn n LYS 110 N -4.92 -0.08 0.26 1.96 4.76 -1.26 -0.09 118.16 118.79 2yrn n LYS 110 Ca 0.02 1.49 -0.10 0.00 -2.87 0.00 0.00 58.31 56.84 2yrn n LYS 110 Cb 0.20 -2.36 -0.05 0.00 -1.84 0.00 0.00 35.03 30.98 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 1.98 -0.95 -0.07 7.82 0.00 0.33 -3.00 119.26 125.38 2yrn h ALA 111 Ca 0.59 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.37 2yrn h ALA 111 Cb 1.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2yrn h ALA 111 CO -0.94 -0.90 -0.26 0.82 0.00 0.00 0.00 179.25 177.97 2yrn h ILE 112 N -0.83 0.00 -0.81 0.00 5.03 -0.31 -0.51 117.51 120.09 2yrn h ILE 112 Ca -0.07 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 65.01 2yrn h ILE 112 Cb 0.52 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.17 2yrn h ILE 112 CO 0.11 0.00 0.44 0.18 -0.68 0.00 0.00 178.15 178.21 2yrn n LEU 113 N -3.91 0.27 0.10 1.44 4.77 0.87 0.11 117.00 120.65 2yrn n LEU 113 Ca -0.03 1.30 -0.13 0.00 -0.03 0.00 0.00 56.01 57.12 2yrn n LEU 113 Cb 0.18 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 2yrn n LEU 113 CO 0.04 -1.45 0.78 1.23 -1.33 0.00 0.00 177.39 176.66 2yrn h GLY 114 N 0.00 -0.20 0.09 -0.72 0.00 -0.94 0.38 103.07 101.68 2yrn h GLY 114 Ca 0.67 0.08 0.02 0.00 0.00 0.00 0.00 47.33 48.09 2yrn h GLY 114 CO -0.59 -0.07 -0.52 -2.00 0.00 0.00 0.00 176.54 173.35 2yrn h LEU 115 N -0.27 -1.59 -1.39 3.11 6.46 0.96 -1.02 115.31 121.57 2yrn h LEU 115 Ca -0.02 0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2yrn h LEU 115 Cb 0.21 0.60 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2yrn h LEU 115 CO 0.03 -0.54 -0.06 -0.26 -0.62 0.00 0.00 178.44 176.99 2yrn h PHE 116 N -0.72 0.34 -0.77 1.25 0.04 -1.51 0.20 116.94 115.78 2yrn h PHE 116 Ca 0.00 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.80 2yrn h PHE 116 Cb 0.74 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 2yrn h PHE 116 CO -0.47 0.40 0.50 0.35 -0.60 0.00 0.00 178.31 178.49 2yrn h PHE 117 N 0.32 0.84 0.00 -0.55 3.04 0.88 -1.95 116.94 119.53 2yrn h PHE 117 Ca 0.07 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.80 2yrn h PHE 117 Cb 0.31 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 2yrn h PHE 117 CO 0.01 0.45 -1.41 0.43 -2.02 0.00 0.00 178.31 175.77 2yrn n SER 118 N -4.48 1.88 -0.33 0.41 7.64 -0.50 -4.25 113.62 114.00 2yrn n SER 118 Ca 0.11 0.43 0.03 0.00 1.01 0.00 0.00 58.87 60.46 2yrn n SER 118 Cb 0.21 -0.91 0.10 0.00 -1.01 0.00 0.00 64.21 62.60 2yrn n SER 118 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2yrn h LEU 119 N -1.00 -0.95 -0.81 -3.43 5.85 -0.62 0.56 115.31 114.92 2yrn h LEU 119 Ca -0.36 0.28 0.18 0.00 0.84 0.00 0.00 57.88 58.82 2yrn h LEU 119 Cb 1.24 0.59 -0.11 0.00 0.37 0.00 0.00 40.66 42.75 2yrn h LEU 119 CO -0.22 -0.30 0.30 0.77 -0.34 0.00 0.00 178.44 178.66 2yrn h SER 120 N -0.01 0.22 -0.49 1.25 4.64 -1.56 -1.03 113.55 116.57 2yrn h SER 120 Ca 0.41 0.14 0.10 0.00 -0.47 0.00 0.00 61.79 61.97 2yrn h SER 120 Cb 0.65 0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.78 2yrn h SER 120 CO -0.93 0.02 -0.23 0.03 -0.87 0.00 0.00 176.83 174.85 2yrn h ARG 121 N 0.38 -0.12 -0.98 4.77 3.08 -0.03 0.19 114.38 121.66 2yrn h ARG 121 Ca 0.47 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.67 2yrn h ARG 121 Cb 0.82 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.75 2yrn h ARG 121 CO -0.49 -0.08 -0.43 -0.92 -1.07 0.00 0.00 179.97 176.98 2yrn h TYR 122 N -0.12 -1.27 -0.03 3.04 3.20 -1.12 -0.33 116.97 120.34 2yrn h TYR 122 Ca 0.23 0.11 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2yrn h TYR 122 Cb 0.48 0.69 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 2yrn h TYR 122 CO -0.51 -0.40 -0.04 -0.22 -1.64 0.00 0.00 178.16 175.35 2yrn h LYS 123 N -0.01 0.09 -0.49 1.82 1.63 -1.37 -3.30 116.57 114.94 2yrn h LYS 123 Ca 0.30 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.10 2yrn h LYS 123 Cb 0.56 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.13 2yrn h LYS 123 CO -0.97 0.58 -0.29 1.04 -3.45 0.00 0.00 179.45 176.36 2yrn n GLN 124 N -4.77 -0.22 -0.29 1.90 6.02 0.57 -1.02 117.38 119.57 2yrn n GLN 124 Ca -0.08 1.14 -0.10 0.00 -0.01 0.00 0.00 57.00 57.95 2yrn n GLN 124 Cb 0.29 -1.69 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 2yrn n GLN 124 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2yrn h GLN 125 N 0.00 -0.09 -2.33 -1.09 4.20 -1.35 0.28 115.11 114.73 2yrn h GLN 125 Ca 0.08 0.01 -0.25 0.00 0.06 0.00 0.00 58.65 58.54 2yrn h GLN 125 Cb 0.20 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 2yrn h GLN 125 CO -0.46 -0.06 0.49 0.00 -0.67 0.00 0.00 178.83 178.12 2yrn n GLN 126 N -4.95 2.06 -1.56 1.46 10.64 -0.19 -4.93 117.38 119.91 2yrn n GLN 126 Ca 0.00 -1.10 -0.60 0.00 -1.83 0.00 0.00 57.00 53.47 2yrn n GLN 126 Cb 0.24 -2.09 -0.08 0.00 -0.86 0.00 0.00 30.24 27.45 2yrn n GLN 126 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2yrn n GLN 127 N 2.80 0.08 -2.33 2.61 6.02 0.08 -4.87 117.38 121.77 2yrn n GLN 127 Ca 0.44 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 57.09 2yrn n GLN 127 Cb 0.68 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.39 2yrn n GLN 127 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2yrn s GLN 128 N 0.67 3.86 0.00 -1.09 0.00 -1.26 -5.11 119.66 116.73 2yrn s GLN 128 Ca 0.94 1.70 0.16 0.00 -0.00 0.00 0.00 55.36 58.16 2yrn s GLN 128 Cb -1.30 -2.44 0.94 0.00 0.00 0.00 0.00 33.01 30.21 2yrn s GLN 128 CO 0.62 -0.45 1.35 -0.35 0.00 0.00 0.00 175.29 176.46