#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 6.24 0.07 1.61 0.01 -1.26 -5.06 113.70 115.31 2yrn s SER 2 Ca 0.00 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 2yrn s SER 2 Cb 0.00 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2yrn s SER 2 CO 0.00 -0.45 0.38 -0.44 0.41 0.00 0.00 173.24 173.14 2yrn s SER 3 N 1.76 6.61 0.00 2.44 0.01 -1.26 -5.05 113.70 118.22 2yrn s SER 3 Ca 0.15 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2yrn s SER 3 Cb -0.16 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2yrn s SER 3 CO 0.13 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2yrn n GLY 4 N 0.89 4.03 3.87 3.44 0.00 -1.26 -5.14 105.19 111.02 2yrn n GLY 4 Ca -0.08 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 6.42 0.56 1.61 1.04 -1.26 -5.07 113.70 117.00 2yrn s SER 5 Ca 0.00 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.67 2yrn s SER 5 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 2yrn s SER 5 CO 0.00 -0.63 0.89 -0.44 0.98 0.00 0.00 173.24 174.05 2yrn s SER 6 N -3.61 5.96 -0.81 7.02 0.01 -1.26 -5.03 113.70 115.97 2yrn s SER 6 Ca 0.54 0.96 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 2yrn s SER 6 Cb -0.10 -2.07 0.21 0.00 0.21 0.00 0.00 66.02 64.26 2yrn s SER 6 CO 0.41 -0.86 0.72 -0.83 0.41 0.00 0.00 173.24 173.09 2yrn s GLY 7 N -4.21 2.71 -1.23 3.44 0.00 -1.26 -4.66 107.32 102.11 2yrn s GLY 7 Ca 0.52 -3.40 -0.02 0.00 0.00 0.00 0.00 44.72 41.82 2yrn s GLY 7 CO 0.47 1.22 0.84 0.28 0.00 0.00 0.00 173.10 175.91 2yrn n LYS 8 N 3.62 -4.96 -4.04 2.90 5.02 -1.26 -5.00 118.16 114.44 2yrn n LYS 8 Ca 0.14 0.72 -0.28 0.00 -2.02 0.00 0.00 58.31 56.86 2yrn n LYS 8 Cb 0.43 -5.43 -0.05 0.00 -0.02 0.00 0.00 35.03 29.96 2yrn n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yrn s ARG 9 N -5.57 3.01 0.25 1.97 1.81 -1.26 -5.12 118.95 114.04 2yrn s ARG 9 Ca 0.08 -0.72 -0.07 0.00 -1.72 0.00 0.00 55.73 53.30 2yrn s ARG 9 Cb -0.02 -2.76 -0.06 0.00 -0.45 0.00 0.00 34.95 31.67 2yrn s ARG 9 CO 0.78 0.53 0.54 0.15 -0.68 0.00 0.00 175.30 176.62 2yrn s LYS 10 N -2.78 3.70 -0.67 3.54 1.02 -1.26 -5.01 119.74 118.29 2yrn s LYS 10 Ca 0.31 0.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.16 2yrn s LYS 10 Cb -0.11 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2yrn s LYS 10 CO 0.24 0.27 1.88 -1.25 -0.92 0.00 0.00 175.35 175.57 2yrn s PRO 11 N -3.17 2.61 1.18 -1.68 0.04 -1.26 -4.98 135.00 127.75 2yrn s PRO 11 Ca 0.45 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.78 2yrn s PRO 11 Cb -0.11 -4.52 0.28 0.00 0.04 0.00 0.00 34.50 30.20 2yrn s PRO 11 CO 0.26 -2.86 1.03 0.14 0.04 0.00 0.00 177.00 175.61 2yrn s VAL 12 N 9.26 1.89 0.47 -0.36 -7.23 -1.26 -5.00 120.40 118.18 2yrn s VAL 12 Ca 0.68 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.66 2yrn s VAL 12 Cb -0.11 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 2yrn s VAL 12 CO 0.17 0.00 0.96 -0.63 -0.31 0.00 0.00 175.10 175.29 2yrn s ILE 13 N -2.56 4.48 -0.59 -0.62 -1.09 -1.26 -5.04 121.20 114.52 2yrn s ILE 13 Ca 0.68 1.32 0.05 0.00 -2.23 0.00 0.00 60.65 60.47 2yrn s ILE 13 Cb -0.22 -3.67 0.19 0.00 -1.58 0.00 0.00 42.46 37.18 2yrn s ILE 13 CO 0.62 -0.52 0.49 1.41 -1.23 0.00 0.00 174.94 175.72 2yrn n HIS 14 N -1.14 1.81 -0.94 3.97 8.25 -1.26 -5.05 115.22 120.86 2yrn n HIS 14 Ca 0.07 -3.94 -0.35 0.00 -0.26 0.00 0.00 57.72 53.23 2yrn n HIS 14 Cb 0.54 -0.34 0.06 0.00 1.12 0.00 0.00 29.99 31.38 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 2.01 -3.77 0.35 -1.41 0.00 -1.26 -3.71 105.19 97.39 2yrn n GLY 15 Ca 0.24 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 2.13 -0.50 -0.36 0.99 4.77 -1.26 0.14 117.00 122.92 2yrn n LEU 16 Ca 0.00 1.60 -0.03 0.00 -0.03 0.00 0.00 56.01 57.56 2yrn n LEU 16 Cb 0.58 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2yrn n LEU 16 CO 0.51 -1.48 1.27 -0.33 -1.33 0.00 0.00 177.39 176.04 2yrn h GLU 17 N 0.00 1.26 0.00 3.23 5.08 -2.01 -1.50 114.58 120.64 2yrn h GLU 17 Ca 0.37 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2yrn h GLU 17 Cb 0.60 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2yrn h GLU 17 CO -0.93 0.84 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.20 2yrn h ASP 18 N 1.29 0.00 -0.23 1.42 5.19 0.11 -2.93 116.42 121.27 2yrn h ASP 18 Ca 0.35 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.71 2yrn h ASP 18 Cb -0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2yrn h ASP 18 CO -0.07 0.27 -0.06 1.56 -3.12 0.00 0.00 179.24 177.82 2yrn h GLN 19 N 0.00 0.44 -0.94 3.56 4.20 0.48 -3.07 115.11 119.77 2yrn h GLN 19 Ca -0.00 -0.17 0.28 0.00 0.06 0.00 0.00 58.65 58.82 2yrn h GLN 19 Cb 0.52 -0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.12 2yrn h GLN 19 CO 0.04 0.68 0.27 -0.22 -0.67 0.00 0.00 178.83 178.93 2yrn h LYS 20 N 0.17 0.13 0.03 1.46 3.64 -1.28 0.20 116.57 120.92 2yrn h LYS 20 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2yrn h LYS 20 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2yrn h LYS 20 CO 0.02 0.09 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.19 2yrn h ARG 21 N 0.13 -0.03 -0.61 1.90 9.65 -1.63 -0.77 114.38 123.01 2yrn h ARG 21 Ca 0.63 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.63 2yrn h ARG 21 Cb 1.40 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.90 2yrn h ARG 21 CO -0.74 0.27 0.13 0.82 2.80 0.00 0.00 179.97 183.26 2yrn h ILE 22 N -0.34 0.63 -0.17 1.20 2.04 -0.61 -1.86 117.51 118.40 2yrn h ILE 22 Ca -0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2yrn h ILE 22 Cb 0.32 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2yrn h ILE 22 CO 0.01 0.05 -0.02 1.88 0.00 0.00 0.00 178.15 180.06 2yrn h TYR 23 N 0.26 0.35 -0.84 1.37 0.05 -1.04 -2.37 116.97 114.75 2yrn h TYR 23 Ca 0.32 -0.07 0.21 0.00 0.05 0.00 0.00 58.73 59.25 2yrn h TYR 23 Cb 0.49 -0.09 -0.13 0.00 1.01 0.00 0.00 36.73 38.01 2yrn h TYR 23 CO -0.25 0.55 0.20 1.15 -1.05 0.00 0.00 178.16 178.77 2yrn h THR 24 N 0.04 0.35 -0.27 -2.88 2.02 -0.35 0.22 112.91 112.05 2yrn h THR 24 Ca 0.05 -0.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 2yrn h THR 24 Cb 0.43 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2yrn h THR 24 CO 0.01 0.04 -0.54 -0.78 0.37 0.00 0.00 175.52 174.63 2yrn h ASP 25 N 0.21 0.89 -0.49 4.18 3.58 -1.32 -1.98 116.42 121.49 2yrn h ASP 25 Ca 0.51 -0.47 0.07 0.00 0.42 0.00 0.00 57.03 57.57 2yrn h ASP 25 Cb 1.00 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 2yrn h ASP 25 CO -0.63 1.25 0.14 -0.25 -2.88 0.00 0.00 179.24 176.86 2yrn h TRP 26 N 0.62 0.23 -0.18 0.28 7.01 -0.06 -2.39 115.95 121.45 2yrn h TRP 26 Ca 0.02 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.90 2yrn h TRP 26 Cb 1.13 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 2yrn h TRP 26 CO 0.06 0.05 -0.44 0.00 -2.79 0.00 0.00 178.44 175.33 2yrn h ALA 27 N 1.35 0.30 -0.91 2.65 0.00 -1.23 -3.21 119.26 118.21 2yrn h ALA 27 Ca 0.24 -0.47 0.25 0.00 0.00 0.00 0.00 54.91 54.94 2yrn h ALA 27 Cb 0.29 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 2yrn h ALA 27 CO -0.28 0.43 0.33 -0.91 0.00 0.00 0.00 179.25 178.82 2yrn h ASN 28 N 0.29 0.15 -0.35 0.00 -0.26 -0.88 0.18 115.58 114.71 2yrn h ASN 28 Ca -0.00 0.19 0.07 0.00 -0.56 0.00 0.00 56.30 56.00 2yrn h ASN 28 Cb 1.04 0.22 -0.06 0.00 -1.06 0.00 0.00 38.32 38.47 2yrn h ASN 28 CO 0.10 -0.14 -0.02 -0.74 -1.06 0.00 0.00 177.43 175.57 2yrn h HIS 29 N 0.25 -0.06 0.00 1.19 2.76 -1.45 0.40 115.15 118.25 2yrn h HIS 29 Ca 0.60 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 2yrn h HIS 29 Cb 1.24 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2yrn h HIS 29 CO -0.19 -0.09 0.00 1.88 -1.30 0.00 0.00 177.93 178.23 2yrn h TYR 30 N 0.08 0.00 0.17 5.26 0.05 -0.79 0.12 116.97 121.86 2yrn h TYR 30 Ca 0.17 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.60 2yrn h TYR 30 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2yrn h TYR 30 CO -0.26 0.00 -1.79 -0.07 -1.05 0.00 0.00 178.16 174.99 2yrn h LEU 31 N 0.00 0.56 -0.25 3.88 3.38 -0.01 -3.23 115.31 119.64 2yrn h LEU 31 Ca 0.00 -0.91 -0.14 0.00 0.09 0.00 0.00 57.88 56.93 2yrn h LEU 31 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2yrn h LEU 31 CO 0.00 1.78 -0.65 0.00 0.09 0.00 0.00 178.44 179.66 2yrn h ALA 32 N 0.14 0.66 -0.20 1.53 0.00 0.03 -0.81 119.26 120.61 2yrn h ALA 32 Ca -0.35 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 53.82 2yrn h ALA 32 Cb 2.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2yrn h ALA 32 CO 0.16 0.81 -0.49 1.57 0.00 0.00 0.00 179.25 181.30 2yrn h LYS 33 N 0.00 0.53 -0.84 0.00 2.10 -0.90 -2.87 116.57 114.57 2yrn h LYS 33 Ca -0.01 -0.31 -0.13 0.00 -2.00 0.00 0.00 60.65 58.21 2yrn h LYS 33 Cb 1.39 0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.66 2yrn h LYS 33 CO 0.08 0.90 0.17 0.43 -2.00 0.00 0.00 179.45 179.03 2yrn n SER 34 N -3.98 3.78 -3.39 7.07 7.64 -1.22 -4.93 113.62 118.59 2yrn n SER 34 Ca -0.02 -2.76 -0.13 0.00 1.01 0.00 0.00 58.87 56.97 2yrn n SER 34 Cb 0.57 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.02 -1.20 3.46 0.23 0.00 -1.08 -4.98 105.19 101.63 2yrn n GLY 35 Ca 0.26 0.61 -0.34 0.00 0.00 0.00 0.00 46.02 46.55 2yrn n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yrn s HIS 36 N -2.89 2.98 -0.16 1.61 5.04 -0.31 -5.00 115.29 116.56 2yrn s HIS 36 Ca 0.04 -0.42 -0.04 0.00 -1.54 0.00 0.00 55.06 53.10 2yrn s HIS 36 Cb -0.01 -1.96 -0.07 0.00 0.04 0.00 0.00 32.58 30.59 2yrn s HIS 36 CO 0.82 -0.12 2.87 1.63 -2.34 0.00 0.00 174.74 177.60 2yrn n LYS 37 N 3.68 1.88 -3.61 2.88 4.01 -1.26 -4.75 118.16 121.00 2yrn n LYS 37 Ca -0.18 -1.23 -0.05 0.00 -0.51 0.00 0.00 58.31 56.34 2yrn n LYS 37 Cb 0.52 -1.79 -0.04 0.00 -0.51 0.00 0.00 35.03 33.22 2yrn n LYS 37 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2yrn s ARG 38 N -0.28 0.30 0.40 1.97 3.52 -1.26 -5.19 118.95 118.41 2yrn s ARG 38 Ca 0.47 0.00 0.05 0.00 -0.13 0.00 0.00 55.73 56.12 2yrn s ARG 38 Cb 0.26 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.77 2yrn s ARG 38 CO -0.06 -0.11 0.17 -0.51 -0.81 0.00 0.00 175.30 173.99 2yrn s LEU 39 N -1.46 1.92 -0.34 -0.88 1.43 -1.26 -4.82 118.68 113.28 2yrn s LEU 39 Ca 0.06 -1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 51.32 2yrn s LEU 39 Cb -0.01 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.28 2yrn s LEU 39 CO -0.04 -0.99 0.23 -0.63 0.23 0.00 0.00 176.35 175.14 2yrn s ILE 40 N -3.25 5.14 -0.13 -0.59 1.01 -1.26 -4.97 121.20 117.14 2yrn s ILE 40 Ca 0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 2yrn s ILE 40 Cb 0.02 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2yrn s ILE 40 CO 0.18 -0.02 -0.15 0.03 0.00 0.00 0.00 174.94 174.99 2yrn h ARG 41 N 8.47 0.00 -4.40 2.79 3.08 -1.96 -3.45 114.38 118.91 2yrn h ARG 41 Ca -0.31 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.05 2yrn h ARG 41 Cb 1.15 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.85 2yrn h ARG 41 CO 0.64 0.00 -0.55 -0.51 -1.07 0.00 0.00 179.97 178.48 2yrn s ASP 42 N -5.61 5.19 0.36 7.04 1.01 -1.26 -4.96 116.67 118.45 2yrn s ASP 42 Ca -0.12 -2.14 0.20 0.00 0.71 0.00 0.00 52.55 51.19 2yrn s ASP 42 Cb 0.02 -1.81 1.29 0.00 1.01 0.00 0.00 42.92 43.42 2yrn s ASP 42 CO 0.18 -0.51 1.60 0.25 0.21 0.00 0.00 175.17 176.91 2yrn h LEU 43 N 7.88 0.37 -0.82 1.23 5.85 -1.87 1.94 115.31 129.88 2yrn h LEU 43 Ca -0.11 0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 2yrn h LEU 43 Cb 1.03 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2yrn h LEU 43 CO 0.68 -0.35 -0.26 1.56 -0.34 0.00 0.00 178.44 179.73 2yrn h GLN 44 N 0.09 0.59 -0.37 1.25 4.20 -1.93 -2.65 115.11 116.29 2yrn h GLN 44 Ca 0.82 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 59.30 2yrn h GLN 44 Cb 2.12 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2yrn h GLN 44 CO -0.72 0.79 0.00 1.04 -0.67 0.00 0.00 178.83 179.28 2yrn n GLN 45 N -4.11 2.37 -0.06 1.46 6.02 0.56 -4.12 117.38 119.51 2yrn n GLN 45 Ca -0.00 -2.07 -0.10 0.00 -0.01 0.00 0.00 57.00 54.82 2yrn n GLN 45 Cb 0.43 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 30.05 2yrn n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2yrn n ASP 46 N 1.28 0.54 -1.77 1.08 2.03 0.38 -4.26 116.55 115.82 2yrn n ASP 46 Ca 0.19 0.22 -0.18 0.00 0.52 0.00 0.00 54.79 55.54 2yrn n ASP 46 Cb 0.55 0.37 0.15 0.00 -0.72 0.00 0.00 41.12 41.47 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 -2.93 2.92 0.05 5.18 0.24 -1.11 -3.92 118.33 118.77 2yrn n VAL 47 Ca -0.25 -2.81 -0.17 0.00 -2.04 0.00 0.00 64.34 59.07 2yrn n VAL 47 Cb 1.10 -0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.17 1.09 0.00 3.34 1.35 -1.74 -3.37 112.91 114.74 2yrn h THR 48 Ca 0.42 -2.74 -0.05 0.00 -0.55 0.00 0.00 66.41 63.49 2yrn h THR 48 Cb 1.76 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.90 2yrn h THR 48 CO 0.85 0.81 -1.95 -0.90 -0.25 0.00 0.00 175.52 174.08 2yrn n ASP 49 N -3.44 0.09 0.00 5.36 5.68 -1.26 -4.58 116.55 118.40 2yrn n ASP 49 Ca -0.18 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 2yrn n ASP 49 Cb 1.05 1.71 0.00 0.00 -1.14 0.00 0.00 41.12 42.74 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 1.32 3.00 0.01 6.12 0.00 -1.26 -4.41 105.19 109.96 2yrn n GLY 50 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.90 1.61 2.07 -1.92 -1.05 116.25 116.06 2yrn h VAL 51 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 2yrn h VAL 51 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 2yrn h VAL 51 CO 0.00 0.00 0.47 0.25 0.02 0.00 0.00 177.57 178.31 2yrn h LEU 52 N -0.01 0.54 -0.54 2.57 6.46 -1.91 -0.35 115.31 122.05 2yrn h LEU 52 Ca -0.00 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 2yrn h LEU 52 Cb 0.01 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 2yrn h LEU 52 CO -0.00 0.17 0.10 0.25 -0.62 0.00 0.00 178.44 178.34 2yrn h LEU 53 N 0.59 -0.03 -0.84 2.25 5.85 -1.63 -0.96 115.31 120.56 2yrn h LEU 53 Ca 0.52 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 59.25 2yrn h LEU 53 Cb 0.83 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2yrn h LEU 53 CO -0.41 0.01 -0.06 0.00 -0.34 0.00 0.00 178.44 177.64 2yrn h ALA 54 N 1.44 1.02 -0.33 1.25 0.00 0.26 -2.55 119.26 120.36 2yrn h ALA 54 Ca 0.28 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2yrn h ALA 54 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2yrn h ALA 54 CO -0.37 0.60 0.65 1.96 0.00 0.00 0.00 179.25 182.09 2yrn h GLN 55 N 0.74 0.00 0.00 0.00 4.20 -0.35 0.06 115.11 119.77 2yrn h GLN 55 Ca 0.13 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.42 2yrn h GLN 55 Cb 0.53 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2yrn h GLN 55 CO 0.03 0.00 -2.33 -0.89 -0.67 0.00 0.00 178.83 174.97 2yrn n ILE 56 N -3.15 1.53 -0.15 2.54 -0.00 -0.98 -4.20 119.36 114.95 2yrn n ILE 56 Ca 0.06 -0.35 -0.03 0.00 -0.00 0.00 0.00 62.75 62.43 2yrn n ILE 56 Cb 0.78 -1.87 0.04 0.00 -0.00 0.00 0.00 39.64 38.60 2yrn n ILE 56 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 2yrn h ILE 57 N -0.90 0.58 -0.28 1.39 2.04 -0.95 0.24 117.51 119.64 2yrn h ILE 57 Ca -0.63 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.29 2yrn h ILE 57 Cb 1.60 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2yrn h ILE 57 CO -0.36 0.01 0.22 1.56 0.00 0.00 0.00 178.15 179.59 2yrn h GLN 58 N 0.05 0.00 0.00 2.37 4.20 -1.18 0.15 115.11 120.70 2yrn h GLN 58 Ca 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2yrn h GLN 58 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2yrn h GLN 58 CO -0.44 0.00 -0.00 0.28 -0.67 0.00 0.00 178.83 178.00 2yrn h VAL 59 N 0.00 0.00 -0.90 -0.54 2.07 -0.79 0.23 116.25 116.33 2yrn h VAL 59 Ca 0.13 -0.37 0.19 0.00 0.82 0.00 0.00 66.70 67.47 2yrn h VAL 59 Cb 0.57 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 2yrn h VAL 59 CO -0.00 0.00 0.46 1.62 0.02 0.00 0.00 177.57 179.66 2yrn h VAL 60 N -0.38 0.62 0.00 2.57 3.04 -0.93 0.49 116.25 121.66 2yrn h VAL 60 Ca -0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2yrn h VAL 60 Cb 0.00 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 2yrn h VAL 60 CO 0.00 0.10 -0.23 0.00 -1.01 0.00 0.00 177.57 176.44 2yrn n ALA 61 N -2.43 2.67 -3.72 3.17 0.00 0.50 -4.94 120.51 115.76 2yrn n ALA 61 Ca 0.20 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2yrn n ALA 61 Cb 0.55 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.72 2yrn n ALA 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2yrn n ASN 62 N -1.84 -5.13 -4.11 0.00 5.15 0.17 -4.99 115.26 104.52 2yrn n ASN 62 Ca 0.06 -0.66 -0.08 0.00 -0.60 0.00 0.00 54.58 53.30 2yrn n ASN 62 Cb 0.39 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.02 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2yrn s GLU 63 N -6.36 0.68 -0.14 1.20 2.56 0.67 -4.99 118.70 112.33 2yrn s GLU 63 Ca 0.54 -1.27 -0.02 0.00 0.00 0.00 0.00 54.97 54.23 2yrn s GLU 63 Cb -0.26 0.18 -0.02 0.00 2.00 0.00 0.00 34.13 36.03 2yrn s GLU 63 CO 0.78 -0.13 -0.07 0.21 -0.56 0.00 0.00 175.26 175.49 2yrn s LYS 64 N -3.93 3.49 -0.29 4.30 2.20 -1.26 -4.07 119.74 120.17 2yrn s LYS 64 Ca 0.10 -0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 2yrn s LYS 64 Cb 0.08 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2yrn s LYS 64 CO -0.08 0.28 0.31 0.42 -0.36 0.00 0.00 175.35 175.92 2yrn s ILE 65 N 0.23 5.22 -0.45 5.43 1.01 -1.26 -4.94 121.20 126.45 2yrn s ILE 65 Ca -0.05 0.30 0.23 0.00 0.00 0.00 0.00 60.65 61.13 2yrn s ILE 65 Cb -0.14 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.72 2yrn s ILE 65 CO 0.04 0.12 1.25 -0.33 0.00 0.00 0.00 174.94 176.02 2yrn h GLU 66 N 8.31 0.00 -1.25 2.79 5.08 -2.00 -3.33 114.58 124.18 2yrn h GLU 66 Ca -0.32 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.85 2yrn h GLU 66 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 2yrn h GLU 66 CO 0.62 0.00 0.24 -3.47 -1.00 0.00 0.00 179.01 175.41 2yrn n ASP 67 N -2.48 4.33 -4.36 1.42 2.03 -1.26 -4.84 116.55 111.39 2yrn n ASP 67 Ca 0.02 -2.65 -0.33 0.00 0.52 0.00 0.00 54.79 52.35 2yrn n ASP 67 Cb 0.50 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 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 -1.26 3.01 0.00 5.18 -1.09 -1.25 -4.54 121.20 121.25 2yrn s ILE 68 Ca 0.19 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2yrn s ILE 68 Cb 0.16 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 2yrn s ILE 68 CO 0.02 0.52 0.74 -3.20 -1.23 0.00 0.00 174.94 171.80 2yrn n ASN 69 N 3.56 0.00 0.00 3.58 5.15 -1.26 -4.95 115.26 121.34 2yrn n ASN 69 Ca -0.18 0.84 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 2yrn n ASN 69 Cb 0.53 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 2yrn n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yrn n GLY 70 N -0.29 3.04 2.42 8.20 0.00 -1.26 -4.91 105.19 112.38 2yrn n GLY 70 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.98 4.45 0.00 0.00 0.04 -1.26 -4.93 135.00 132.32 2yrn s PRO 72 Ca 0.33 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2yrn s PRO 72 Cb 0.08 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2yrn s PRO 72 CO -0.14 -0.04 0.00 1.63 0.04 0.00 0.00 177.00 178.49 2yrn n LYS 73 N 0.91 0.72 -2.61 4.56 4.76 -1.26 -5.00 118.16 120.24 2yrn n LYS 73 Ca -0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 2yrn n LYS 73 Cb 0.43 -0.74 0.03 0.00 -1.84 0.00 0.00 35.03 32.91 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 -2.92 5.46 0.42 4.39 -0.87 -1.26 -4.99 114.94 115.18 2yrn s ASN 74 Ca 0.00 0.35 0.21 0.00 -1.57 0.00 0.00 52.86 51.86 2yrn s ASN 74 Cb 0.00 -1.34 0.91 0.00 -0.02 0.00 0.00 41.25 40.79 2yrn s ASN 74 CO 0.00 -1.05 1.84 0.08 -2.57 0.00 0.00 177.10 175.39 2yrn h ARG 75 N 0.00 0.00 0.08 -0.60 -0.00 -2.02 -3.22 114.38 108.61 2yrn h ARG 75 Ca -0.45 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.20 2yrn h ARG 75 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.22 2yrn h ARG 75 CO 0.57 0.28 -1.83 -1.13 -0.00 0.00 0.00 179.97 177.86 2yrn n SER 76 N -3.56 2.04 -0.46 0.08 3.41 -1.26 -4.17 113.62 109.69 2yrn n SER 76 Ca -0.01 0.26 0.39 0.00 -0.26 0.00 0.00 58.87 59.25 2yrn n SER 76 Cb 0.42 -0.87 0.67 0.00 -0.26 0.00 0.00 64.21 64.17 2yrn n SER 76 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2yrn h GLN 77 N -0.29 0.04 -0.54 4.33 4.20 -1.95 1.57 115.11 122.48 2yrn h GLN 77 Ca -0.42 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.18 2yrn h GLN 77 Cb 1.80 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.55 2yrn h GLN 77 CO -0.03 0.03 -0.07 0.52 -0.67 0.00 0.00 178.83 178.61 2yrn h MET 78 N 0.04 0.97 -0.06 1.46 2.86 -1.72 -3.19 114.93 115.29 2yrn h MET 78 Ca 0.85 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 58.20 2yrn h MET 78 Cb 2.73 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 34.25 2yrn h MET 78 CO -0.43 1.00 -0.38 0.82 1.06 0.00 0.00 176.91 178.97 2yrn h ILE 79 N 0.88 0.20 -0.74 -1.22 1.08 0.21 -2.33 117.51 115.58 2yrn h ILE 79 Ca 0.15 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.74 2yrn h ILE 79 Cb 0.61 0.20 -0.13 0.00 -3.07 0.00 0.00 36.82 34.43 2yrn h ILE 79 CO 0.04 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.81 2yrn h GLU 80 N -0.50 -0.10 -0.05 2.37 5.08 -1.53 0.54 114.58 120.38 2yrn h GLU 80 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2yrn h GLU 80 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2yrn h GLU 80 CO -0.34 -0.07 -0.03 -0.91 -1.00 0.00 0.00 179.01 176.66 2yrn h ASN 81 N -0.10 -0.12 -0.76 1.42 4.21 -1.47 0.25 115.58 119.01 2yrn h ASN 81 Ca 0.27 0.02 0.11 0.00 1.21 0.00 0.00 56.30 57.91 2yrn h ASN 81 Cb 0.57 0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 37.74 2yrn h ASN 81 CO -0.79 -0.01 0.39 0.40 -1.29 0.00 0.00 177.43 176.12 2yrn h ILE 82 N -0.00 0.83 -0.15 2.81 2.04 -1.35 -2.42 117.51 119.26 2yrn h ILE 82 Ca 0.01 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2yrn h ILE 82 Cb 0.02 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 2yrn h ILE 82 CO -0.05 0.12 -0.40 -0.78 0.00 0.00 0.00 178.15 177.04 2yrn h ASP 83 N 0.64 -1.25 -0.71 1.72 3.58 0.12 -1.20 116.42 119.32 2yrn h ASP 83 Ca 0.38 0.17 0.15 0.00 0.42 0.00 0.00 57.03 58.16 2yrn h ASP 83 Cb 0.43 0.52 -0.11 0.00 1.72 0.00 0.00 39.33 41.89 2yrn h ASP 83 CO -0.29 -0.41 0.13 0.00 -2.88 0.00 0.00 179.24 175.79 2yrn h ALA 84 N 0.21 0.87 -1.00 -0.78 0.00 -0.11 0.14 119.26 118.59 2yrn h ALA 84 Ca 0.09 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2yrn h ALA 84 Cb 0.61 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2yrn h ALA 84 CO -0.40 -0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.15 2yrn h LEU 86 N 1.23 0.49 -0.90 0.00 3.38 0.32 -0.44 115.31 119.40 2yrn h LEU 86 Ca 0.41 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2yrn h LEU 86 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2yrn h LEU 86 CO -0.14 0.70 -0.32 0.78 0.09 0.00 0.00 178.44 179.55 2yrn h ASN 87 N 0.27 0.45 -0.26 -0.43 2.35 -0.64 -0.98 115.58 116.33 2yrn h ASN 87 Ca 0.07 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 2yrn h ASN 87 Cb 0.46 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2yrn h ASN 87 CO 0.02 0.74 -0.34 0.15 -1.65 0.00 0.00 177.43 176.35 2yrn h PHE 88 N 0.38 0.85 -0.41 1.19 3.04 -0.34 -2.92 116.94 118.72 2yrn h PHE 88 Ca 0.05 -0.27 -0.14 0.00 3.98 0.00 0.00 57.97 61.59 2yrn h PHE 88 Cb 0.74 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2yrn h PHE 88 CO 0.02 1.03 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.99 2yrn h LEU 89 N 0.43 0.97 -0.81 0.59 3.38 -0.97 -3.10 115.31 115.79 2yrn h LEU 89 Ca 0.03 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.66 2yrn h LEU 89 Cb 0.92 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2yrn h LEU 89 CO 0.08 1.19 0.47 0.00 0.09 0.00 0.00 178.44 180.27 2yrn h ALA 90 N 0.81 1.14 -0.03 1.53 0.00 -1.18 0.36 119.26 121.89 2yrn h ALA 90 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2yrn h ALA 90 Cb 0.87 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yrn h ALA 90 CO 0.08 0.12 0.03 0.00 0.00 0.00 0.00 179.25 179.48 2yrn h ALA 91 N 1.43 1.62 0.00 0.00 0.00 -1.44 0.13 119.26 121.00 2yrn h ALA 91 Ca 0.38 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2yrn h ALA 91 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2yrn h ALA 91 CO -0.22 -0.04 -0.34 0.87 0.00 0.00 0.00 179.25 179.51 2yrn h LYS 92 N 0.00 0.00 0.00 0.00 1.79 -0.96 -3.47 116.57 113.93 2yrn h LYS 92 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2yrn h LYS 92 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2yrn h LYS 92 CO -0.00 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 179.12 2yrn n GLY 93 N 1.17 1.34 3.21 3.86 0.00 0.03 -5.14 105.19 109.67 2yrn n GLY 93 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 1.98 0.09 -0.61 1.01 -1.15 -5.01 121.20 115.52 2yrn s ILE 94 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 2yrn s ILE 94 Cb 0.00 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.68 2yrn s ILE 94 CO 0.00 0.54 1.49 0.21 0.00 0.00 0.00 174.94 177.18 2yrn s ASN 95 N 0.27 6.73 0.00 3.58 2.47 -1.26 -3.83 114.94 122.89 2yrn s ASN 95 Ca -0.16 2.39 0.00 0.00 0.42 0.00 0.00 52.86 55.51 2yrn s ASN 95 Cb -0.17 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 2yrn s ASN 95 CO 0.08 -0.75 0.00 2.30 -3.72 0.00 0.00 177.10 175.00 2yrn n ILE 96 N 4.26 0.00 -0.34 -5.21 -5.35 -1.26 -4.77 119.36 106.69 2yrn n ILE 96 Ca 0.13 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.79 2yrn n ILE 96 Cb 0.41 0.03 0.35 0.00 -1.74 0.00 0.00 39.64 38.70 2yrn n ILE 96 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2yrn h GLN 97 N 0.00 0.00 -0.50 6.28 4.20 -1.97 0.65 115.11 123.78 2yrn h GLN 97 Ca 0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2yrn h GLN 97 Cb 0.23 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2yrn h GLN 97 CO 0.00 0.00 0.14 0.78 -0.67 0.00 0.00 178.83 179.08 2yrn h GLY 98 N 0.00 0.85 -1.14 3.46 0.00 -2.01 -3.44 103.07 100.79 2yrn h GLY 98 Ca 0.65 -0.52 -0.44 0.00 0.00 0.00 0.00 47.33 47.02 2yrn h GLY 98 CO -0.91 0.49 -0.01 1.04 0.00 0.00 0.00 176.54 177.15 2yrn n LEU 99 N -4.47 -1.19 -3.29 3.11 4.77 0.23 -5.05 117.00 111.11 2yrn n LEU 99 Ca 0.01 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 2yrn n LEU 99 Cb 0.21 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 2yrn n LEU 99 CO 0.39 -3.23 -0.00 -0.44 -1.33 0.00 0.00 177.39 172.78 2yrn s SER 100 N -2.41 -0.19 0.21 -1.43 0.01 -1.26 -5.02 113.70 103.60 2yrn s SER 100 Ca 0.68 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 2yrn s SER 100 Cb -0.25 1.40 0.21 0.00 0.21 0.00 0.00 66.02 67.58 2yrn s SER 100 CO 0.65 -0.30 1.60 0.00 0.41 0.00 0.00 173.24 175.59 2yrn h ALA 101 N 8.13 0.21 -0.49 1.44 0.00 -1.93 0.82 119.26 127.43 2yrn h ALA 101 Ca -0.17 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2yrn h ALA 101 Cb 1.15 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 2yrn h ALA 101 CO 0.26 -0.55 -0.05 1.49 0.00 0.00 0.00 179.25 180.40 2yrn h GLU 102 N -0.08 0.06 -0.70 0.00 4.81 -1.96 0.10 114.58 116.81 2yrn h GLU 102 Ca 0.29 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2yrn h GLU 102 Cb 0.54 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2yrn h GLU 102 CO -0.72 0.04 0.40 0.93 -0.73 0.00 0.00 179.01 178.92 2yrn h GLU 103 N 0.06 0.97 -0.42 1.92 4.39 -1.37 -2.30 114.58 117.84 2yrn h GLU 103 Ca 0.24 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2yrn h GLU 103 Cb 0.37 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2yrn h GLU 103 CO -0.45 0.72 0.25 0.82 -1.16 0.00 0.00 179.01 179.18 2yrn h ILE 104 N 0.96 1.14 0.00 3.13 2.04 0.42 -1.99 117.51 123.21 2yrn h ILE 104 Ca 0.25 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2yrn h ILE 104 Cb 0.02 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2yrn h ILE 104 CO -0.04 0.14 -0.06 -0.09 0.00 0.00 0.00 178.15 178.10 2yrn h ARG 105 N 0.55 0.00 0.00 2.37 2.43 -0.59 -0.93 114.38 118.21 2yrn h ARG 105 Ca 0.15 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2yrn h ARG 105 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2yrn h ARG 105 CO -0.03 0.06 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.17 2yrn h ASN 106 N 0.00 0.00 0.00 -3.80 2.35 -0.81 -3.44 115.58 109.88 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 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2yrn h ASN 106 CO 0.01 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 2yrn n GLY 107 N 0.57 1.26 3.57 2.83 0.00 -0.35 -5.03 105.19 108.04 2yrn n GLY 107 Ca 0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.17 5.76 0.24 1.61 2.47 -1.03 -4.86 114.94 116.96 2yrn s ASN 108 Ca 0.00 0.56 -0.14 0.00 0.42 0.00 0.00 52.86 53.69 2yrn s ASN 108 Cb 0.00 -2.53 0.31 0.00 -1.45 0.00 0.00 41.25 37.57 2yrn s ASN 108 CO 0.00 -1.95 1.56 0.25 -3.72 0.00 0.00 177.10 173.24 2yrn h LEU 109 N 14.44 -1.20 -0.99 3.21 5.85 -1.96 0.81 115.31 135.48 2yrn h LEU 109 Ca -0.28 0.29 0.30 0.00 0.84 0.00 0.00 57.88 59.03 2yrn h LEU 109 Cb 1.14 0.68 -0.14 0.00 0.37 0.00 0.00 40.66 42.70 2yrn h LEU 109 CO 1.16 -0.30 0.53 0.11 -0.34 0.00 0.00 178.44 179.60 2yrn h LYS 110 N -0.02 0.34 0.20 1.25 1.79 -1.98 0.11 116.57 118.27 2yrn h LYS 110 Ca 0.38 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 2yrn h LYS 110 Cb 0.63 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2yrn h LYS 110 CO -0.96 0.23 -0.10 0.00 -1.08 0.00 0.00 179.45 177.54 2yrn h ALA 111 N 1.82 -0.54 -0.50 3.86 0.00 0.27 -2.84 119.26 121.33 2yrn h ALA 111 Ca 0.70 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.60 2yrn h ALA 111 Cb 1.53 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 2yrn h ALA 111 CO -0.59 -0.52 -0.51 0.82 0.00 0.00 0.00 179.25 178.45 2yrn h ILE 112 N -0.50 0.00 -1.03 0.00 5.03 -0.84 0.27 117.51 120.44 2yrn h ILE 112 Ca -0.03 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 65.01 2yrn h ILE 112 Cb 0.21 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 33.87 2yrn h ILE 112 CO 0.05 0.00 0.61 -0.07 -0.68 0.00 0.00 178.15 178.06 2yrn h LEU 113 N -0.27 0.55 -0.90 1.44 3.38 -0.94 0.44 115.31 119.02 2yrn h LEU 113 Ca 0.08 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2yrn h LEU 113 Cb 0.49 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2yrn h LEU 113 CO -0.61 -0.03 0.06 1.23 0.09 0.00 0.00 178.44 179.19 2yrn h GLY 114 N 0.41 0.94 0.53 0.83 0.00 -0.25 0.50 103.07 106.03 2yrn h GLY 114 Ca 0.69 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2yrn h GLY 114 CO -0.51 0.56 -0.22 -2.00 0.00 0.00 0.00 176.54 174.37 2yrn h LEU 115 N 0.82 -0.53 -1.35 3.11 6.46 0.85 -2.77 115.31 121.90 2yrn h LEU 115 Ca 0.17 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2yrn h LEU 115 Cb 0.40 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2yrn h LEU 115 CO 0.01 -0.11 0.00 -0.26 -0.62 0.00 0.00 178.44 177.46 2yrn h PHE 116 N -1.11 0.00 0.06 1.25 0.04 -1.31 0.20 116.94 116.07 2yrn h PHE 116 Ca -0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.46 2yrn h PHE 116 Cb 0.54 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.69 2yrn h PHE 116 CO 0.01 0.00 -1.07 0.35 -0.60 0.00 0.00 178.31 177.00 2yrn h PHE 117 N 0.00 0.60 0.03 -0.55 3.04 -0.81 -3.02 116.94 116.23 2yrn h PHE 117 Ca 0.00 -0.37 -0.34 0.00 3.98 0.00 0.00 57.97 61.24 2yrn h PHE 117 Cb 0.14 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 2yrn h PHE 117 CO 0.00 1.22 -2.05 -1.13 -2.02 0.00 0.00 178.31 174.33 2yrn n SER 118 N -3.68 1.19 0.21 0.41 3.41 -0.70 -4.20 113.62 110.26 2yrn n SER 118 Ca -0.08 0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 2yrn n SER 118 Cb 0.91 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.02 -0.40 -1.76 1.04 5.85 -0.76 -2.26 115.31 117.03 2yrn h LEU 119 Ca -0.42 0.01 0.26 0.00 0.84 0.00 0.00 57.88 58.57 2yrn h LEU 119 Cb 2.05 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 43.13 2yrn h LEU 119 CO 0.05 -0.29 0.67 -1.28 -0.34 0.00 0.00 178.44 177.25 2yrn h SER 120 N -0.48 0.18 -0.13 1.25 0.87 -1.73 0.13 113.55 113.64 2yrn h SER 120 Ca -0.05 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2yrn h SER 120 Cb 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2yrn h SER 120 CO 0.08 0.05 0.05 0.03 -0.53 0.00 0.00 176.83 176.52 2yrn h ARG 121 N 0.17 0.20 -0.98 2.24 3.08 -1.58 0.18 114.38 117.69 2yrn h ARG 121 Ca 0.49 -0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.85 2yrn h ARG 121 Cb 1.63 -0.03 -0.18 0.00 0.08 0.00 0.00 29.97 31.47 2yrn h ARG 121 CO -0.10 0.29 0.30 0.98 -1.07 0.00 0.00 179.97 180.36 2yrn n TYR 122 N -4.90 0.91 -0.09 3.04 4.19 0.03 -0.12 117.16 120.23 2yrn n TYR 122 Ca -0.05 1.17 -0.13 0.00 3.31 0.00 0.00 57.90 62.20 2yrn n TYR 122 Cb 0.11 -1.41 -0.07 0.00 0.49 0.00 0.00 39.34 38.46 2yrn n TYR 122 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 2yrn h LYS 123 N 0.00 0.00 -0.44 2.98 1.63 -1.58 -3.35 116.57 115.82 2yrn h LYS 123 Ca 0.72 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.65 2yrn h LYS 123 Cb 1.76 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.37 2yrn h LYS 123 CO -0.83 0.52 0.90 1.96 -3.45 0.00 0.00 179.45 178.55 2yrn h GLN 124 N -1.00 0.00 0.00 1.90 1.08 0.21 0.54 115.11 117.85 2yrn h GLN 124 Ca -0.17 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2yrn h GLN 124 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2yrn h GLN 124 CO -0.10 0.00 -0.10 1.96 -0.95 0.00 0.00 178.83 179.64 2yrn h GLN 125 N 0.00 0.06 -5.81 1.46 1.08 -0.66 -3.39 115.11 107.85 2yrn h GLN 125 Ca 0.21 -0.07 -0.66 0.00 -1.45 0.00 0.00 58.65 56.67 2yrn h GLN 125 Cb 2.01 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 29.36 2yrn h GLN 125 CO -0.00 0.86 1.92 1.14 -0.95 0.00 0.00 178.83 181.80 2yrn s GLN 126 N -3.00 3.89 0.22 1.46 -2.07 0.19 -4.91 119.66 115.44 2yrn s GLN 126 Ca -0.17 -1.82 -0.02 0.00 -1.82 0.00 0.00 55.36 51.53 2yrn s GLN 126 Cb -0.01 -5.44 -0.03 0.00 -1.09 0.00 0.00 33.01 26.44 2yrn s GLN 126 CO 0.71 -2.19 0.20 1.14 -1.32 0.00 0.00 175.29 173.82 2yrn s GLN 127 N 4.16 1.32 0.00 9.60 -2.07 -1.26 -4.97 119.66 126.45 2yrn s GLN 127 Ca 0.50 -1.62 0.05 0.00 -1.82 0.00 0.00 55.36 52.48 2yrn s GLN 127 Cb 0.02 0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 32.22 2yrn s GLN 127 CO 0.02 -0.46 -0.12 -0.65 -1.32 0.00 0.00 175.29 172.76 2yrn s GLN 128 N -4.04 2.38 0.00 9.60 1.11 -1.26 -5.19 119.66 122.26 2yrn s GLN 128 Ca 0.37 -0.80 0.16 0.00 0.01 0.00 0.00 55.36 55.09 2yrn s GLN 128 Cb 0.05 -2.37 0.93 0.00 -1.01 0.00 0.00 33.01 30.61 2yrn s GLN 128 CO 0.13 0.59 1.34 -0.35 0.01 0.00 0.00 175.29 177.01