#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 0.96 -0.15 1.61 1.04 -1.26 -5.14 113.70 110.76 2yrn s SER 2 Ca 0.00 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.36 2yrn s SER 2 Cb 0.00 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2yrn s SER 2 CO 0.00 -0.17 0.08 -0.44 0.98 0.00 0.00 173.24 173.69 2yrn s SER 3 N 1.64 5.84 -0.00 7.02 0.01 -1.26 -5.06 113.70 121.89 2yrn s SER 3 Ca -0.01 0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.45 2yrn s SER 3 Cb -0.13 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.20 2yrn s SER 3 CO -0.03 0.29 0.13 0.61 0.41 0.00 0.00 173.24 174.65 2yrn n GLY 4 N 2.78 0.56 3.50 3.44 0.00 -1.26 -5.16 105.19 109.05 2yrn n GLY 4 Ca -0.18 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2yrn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrn s SER 5 N -1.29 -0.90 -0.20 1.61 0.15 -1.26 -5.06 113.70 106.75 2yrn s SER 5 Ca 0.03 1.35 -0.19 0.00 0.70 0.00 0.00 55.95 57.84 2yrn s SER 5 Cb -0.00 2.03 -0.16 0.00 -1.71 0.00 0.00 66.02 66.18 2yrn s SER 5 CO -0.00 -0.23 0.12 -0.24 1.20 0.00 0.00 173.24 174.09 2yrn n SER 6 N 5.43 1.85 0.00 5.45 2.88 -1.26 -5.07 113.62 122.90 2yrn n SER 6 Ca -0.10 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2yrn n SER 6 Cb 0.49 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2yrn n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrn n GLY 7 N 1.46 2.09 3.86 0.46 0.00 -1.26 -5.14 105.19 106.67 2yrn n GLY 7 Ca -0.28 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2yrn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrn s LYS 8 N -0.38 3.68 -0.06 1.61 3.01 -1.26 -4.97 119.74 121.37 2yrn s LYS 8 Ca 0.00 0.13 0.05 0.00 -1.01 0.00 0.00 55.97 55.14 2yrn s LYS 8 Cb 0.00 -3.19 0.24 0.00 -1.01 0.00 0.00 37.83 33.87 2yrn s LYS 8 CO 0.00 0.72 0.96 2.89 0.51 0.00 0.00 175.35 180.43 2yrn n ARG 9 N 1.80 2.05 -3.03 1.68 1.85 -1.26 -4.89 116.66 114.86 2yrn n ARG 9 Ca -0.16 -0.95 -0.30 0.00 -1.00 0.00 0.00 57.85 55.44 2yrn n ARG 9 Cb 0.54 -1.60 -0.04 0.00 -1.05 0.00 0.00 32.46 30.31 2yrn n ARG 9 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2yrn s LYS 10 N -1.59 3.78 0.00 2.89 1.02 -1.26 -5.03 119.74 119.55 2yrn s LYS 10 Ca 0.17 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.23 2yrn s LYS 10 Cb 0.12 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2yrn s LYS 10 CO 0.06 0.07 1.45 -1.25 -0.92 0.00 0.00 175.35 174.76 2yrn s PRO 11 N -3.61 4.26 0.17 -1.68 0.04 -1.26 -4.95 135.00 127.97 2yrn s PRO 11 Ca 0.50 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.25 2yrn s PRO 11 Cb -0.10 -3.60 -0.11 0.00 0.04 0.00 0.00 34.50 30.72 2yrn s PRO 11 CO 0.29 -0.62 1.78 0.08 0.04 0.00 0.00 177.00 178.57 2yrn s VAL 12 N 2.54 2.25 0.10 -0.36 1.01 -1.26 -4.99 120.40 119.69 2yrn s VAL 12 Ca 0.66 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.71 2yrn s VAL 12 Cb -0.33 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2yrn s VAL 12 CO 0.27 0.00 -0.05 -0.63 0.00 0.00 0.00 175.10 174.69 2yrn s ILE 13 N 1.96 3.70 -0.50 2.22 -1.09 -1.26 -5.05 121.20 121.17 2yrn s ILE 13 Ca 0.78 -1.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 2yrn s ILE 13 Cb -0.48 -2.75 0.39 0.00 -1.58 0.00 0.00 42.46 38.03 2yrn s ILE 13 CO 0.34 0.10 1.07 1.41 -1.23 0.00 0.00 174.94 176.64 2yrn n HIS 14 N 0.59 3.65 -2.12 3.97 8.25 -1.26 -4.82 115.22 123.47 2yrn n HIS 14 Ca -0.12 -3.43 -0.35 0.00 -0.26 0.00 0.00 57.72 53.57 2yrn n HIS 14 Cb 0.52 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.39 2yrn n HIS 14 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2yrn s GLY 15 N -3.46 2.54 0.47 -1.41 0.00 -1.26 -4.48 107.32 99.72 2yrn s GLY 15 Ca 0.48 0.79 0.39 0.00 0.00 0.00 0.00 44.72 46.38 2yrn s GLY 15 CO -0.17 1.15 1.50 1.04 0.00 0.00 0.00 173.10 176.61 2yrn n LEU 16 N -1.57 0.11 0.11 0.66 4.77 -1.26 0.23 117.00 120.05 2yrn n LEU 16 Ca 0.12 1.17 -0.20 0.00 -0.03 0.00 0.00 56.01 57.06 2yrn n LEU 16 Cb 0.51 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 2yrn n LEU 16 CO 0.44 -1.23 -0.24 -0.33 -1.33 0.00 0.00 177.39 174.69 2yrn h GLU 17 N 0.00 0.38 -0.26 3.23 5.08 -2.00 -3.22 114.58 117.78 2yrn h GLU 17 Ca 0.88 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2yrn h GLU 17 Cb 3.15 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 32.63 2yrn h GLU 17 CO -0.25 1.29 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.52 2yrn h ASP 18 N 0.10 0.53 -0.89 1.42 3.32 0.26 -3.05 116.42 118.12 2yrn h ASP 18 Ca -0.23 -0.38 0.08 0.00 0.02 0.00 0.00 57.03 56.52 2yrn h ASP 18 Cb 2.07 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 41.42 2yrn h ASP 18 CO 0.22 0.79 0.58 1.56 -1.72 0.00 0.00 179.24 180.67 2yrn h GLN 19 N 0.26 0.93 -0.60 3.56 4.20 -0.68 -0.37 115.11 122.42 2yrn h GLN 19 Ca 0.06 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.89 2yrn h GLN 19 Cb 0.57 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2yrn h GLN 19 CO 0.03 0.61 0.53 -0.22 -0.67 0.00 0.00 178.83 179.11 2yrn h LYS 20 N 0.95 0.00 0.05 1.46 3.64 -1.54 -1.31 116.57 119.83 2yrn h LYS 20 Ca 0.39 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.51 2yrn h LYS 20 Cb 0.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2yrn h LYS 20 CO -0.16 0.00 -1.43 -0.09 -2.27 0.00 0.00 179.45 175.50 2yrn h ARG 21 N 0.00 0.11 -0.52 1.90 9.65 -1.18 -3.25 114.38 121.09 2yrn h ARG 21 Ca 0.28 -0.18 0.10 0.00 -1.10 0.00 0.00 59.98 59.09 2yrn h ARG 21 Cb 1.34 0.07 -0.10 0.00 -1.39 0.00 0.00 29.97 29.89 2yrn h ARG 21 CO -0.00 1.09 -0.14 0.82 2.80 0.00 0.00 179.97 184.53 2yrn h ILE 22 N -0.62 0.46 -0.71 1.20 2.04 -0.81 -0.08 117.51 118.98 2yrn h ILE 22 Ca -0.35 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2yrn h ILE 22 Cb 1.55 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2yrn h ILE 22 CO -0.09 0.00 0.24 1.88 0.00 0.00 0.00 178.15 180.19 2yrn h TYR 23 N -0.02 1.11 -0.66 1.37 0.05 -1.49 -2.31 116.97 115.03 2yrn h TYR 23 Ca 0.25 -0.10 0.09 0.00 0.05 0.00 0.00 58.73 59.03 2yrn h TYR 23 Cb 0.40 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 37.74 2yrn h TYR 23 CO -0.45 0.87 0.29 1.15 -1.05 0.00 0.00 178.16 178.97 2yrn h THR 24 N 1.05 0.81 -0.41 -2.88 2.02 -1.07 -1.63 112.91 110.79 2yrn h THR 24 Ca 0.23 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 2yrn h THR 24 Cb 0.26 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2yrn h THR 24 CO -0.01 0.09 -0.31 -0.78 0.37 0.00 0.00 175.52 174.88 2yrn h ASP 25 N 0.51 0.99 -0.26 4.18 3.58 -1.09 -1.82 116.42 122.51 2yrn h ASP 25 Ca 0.33 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 57.40 2yrn h ASP 25 Cb 0.38 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 2yrn h ASP 25 CO -0.29 1.22 -0.13 -0.25 -2.88 0.00 0.00 179.24 176.91 2yrn h TRP 26 N 0.77 -0.31 -0.41 0.28 7.01 -0.77 -2.30 115.95 120.22 2yrn h TRP 26 Ca 0.08 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 2yrn h TRP 26 Cb 0.89 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 2yrn h TRP 26 CO 0.06 -0.19 -0.18 0.00 -2.79 0.00 0.00 178.44 175.34 2yrn h ALA 27 N 1.11 0.57 -1.35 2.65 0.00 -1.35 -2.95 119.26 117.95 2yrn h ALA 27 Ca 0.14 -0.36 0.39 0.00 0.00 0.00 0.00 54.91 55.08 2yrn h ALA 27 Cb 0.30 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2yrn h ALA 27 CO -0.32 0.51 0.94 -0.91 0.00 0.00 0.00 179.25 179.47 2yrn h ASN 28 N 0.65 0.11 -0.38 0.00 -0.26 -0.76 0.79 115.58 115.72 2yrn h ASN 28 Ca 0.09 0.03 -0.16 0.00 -0.56 0.00 0.00 56.30 55.71 2yrn h ASN 28 Cb 0.73 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2yrn h ASN 28 CO 0.06 -0.01 -0.39 -0.74 -1.06 0.00 0.00 177.43 175.28 2yrn h HIS 29 N 0.08 1.12 0.00 1.19 2.76 -1.31 0.20 115.15 119.19 2yrn h HIS 29 Ca 0.68 -0.34 -0.08 0.00 -2.20 0.00 0.00 60.37 58.43 2yrn h HIS 29 Cb 2.50 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 31.22 2yrn h HIS 29 CO -0.00 1.17 -0.40 1.88 -1.30 0.00 0.00 177.93 179.28 2yrn h TYR 30 N 0.75 0.00 0.15 5.26 0.05 0.42 -1.26 116.97 122.34 2yrn h TYR 30 Ca 0.06 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.55 2yrn h TYR 30 Cb 0.99 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.74 2yrn h TYR 30 CO 0.06 0.40 -1.44 -0.07 -1.05 0.00 0.00 178.16 176.07 2yrn h LEU 31 N 0.00 0.50 -0.70 3.88 3.38 -0.95 -3.12 115.31 118.30 2yrn h LEU 31 Ca -0.00 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 56.93 2yrn h LEU 31 Cb 1.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2yrn h LEU 31 CO 0.05 1.65 -0.48 0.00 0.09 0.00 0.00 178.44 179.75 2yrn h ALA 32 N 0.03 0.88 -0.31 1.53 0.00 -0.63 -1.19 119.26 119.56 2yrn h ALA 32 Ca -0.29 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 2yrn h ALA 32 Cb 1.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2yrn h ALA 32 CO 0.12 0.66 -0.32 1.57 0.00 0.00 0.00 179.25 181.29 2yrn h LYS 33 N 0.33 0.67 -0.93 0.00 2.10 -1.36 -2.60 116.57 114.78 2yrn h LYS 33 Ca 0.02 -0.31 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2yrn h LYS 33 Cb 0.97 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2yrn h LYS 33 CO 0.08 0.90 0.00 0.45 -2.00 0.00 0.00 179.45 178.89 2yrn n SER 34 N -4.07 1.79 -3.49 7.07 2.88 -1.16 -4.88 113.62 111.76 2yrn n SER 34 Ca -0.01 -2.15 -0.23 0.00 -1.33 0.00 0.00 58.87 55.15 2yrn n SER 34 Cb 0.48 -0.53 0.05 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.10 -1.09 3.47 0.46 0.00 -0.98 -4.98 105.19 102.18 2yrn n GLY 35 Ca 0.05 0.51 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.37 3.06 -0.08 1.61 5.04 -0.46 -4.99 115.29 116.10 2yrn s HIS 36 Ca 0.40 -0.38 -0.04 0.00 -1.54 0.00 0.00 55.06 53.50 2yrn s HIS 36 Cb -0.11 -2.09 -0.15 0.00 0.04 0.00 0.00 32.58 30.26 2yrn s HIS 36 CO 0.81 -0.19 3.16 1.63 -2.34 0.00 0.00 174.74 177.81 2yrn n LYS 37 N 4.18 1.87 -3.58 2.88 4.01 -1.26 -4.67 118.16 121.59 2yrn n LYS 37 Ca -0.17 -1.04 -0.12 0.00 -0.51 0.00 0.00 58.31 56.47 2yrn n LYS 37 Cb 0.52 -1.83 -0.05 0.00 -0.51 0.00 0.00 35.03 33.15 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 0.32 0.66 0.34 1.97 3.52 -1.26 -5.19 118.95 119.31 2yrn s ARG 38 Ca 0.53 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2yrn s ARG 38 Cb 0.27 0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.96 2yrn s ARG 38 CO -0.03 -0.19 0.08 1.28 -0.81 0.00 0.00 175.30 175.63 2yrn n LEU 39 N 0.93 0.00 -4.39 -0.88 4.77 -1.26 -4.77 117.00 111.40 2yrn n LEU 39 Ca -0.12 -2.47 -0.38 0.00 -0.03 0.00 0.00 56.01 53.01 2yrn n LEU 39 Cb 0.57 0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 42.21 2yrn n LEU 39 CO 0.16 -0.37 -0.23 -0.63 -1.33 0.00 0.00 177.39 174.98 2yrn s ILE 40 N -2.67 4.31 -0.17 -0.08 1.01 -1.26 -4.97 121.20 117.37 2yrn s ILE 40 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2yrn s ILE 40 Cb 0.01 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 2yrn s ILE 40 CO 0.08 0.05 -0.26 0.54 0.00 0.00 0.00 174.94 175.36 2yrn n ARG 41 N 4.93 0.51 -3.80 2.79 1.74 -1.26 -4.86 116.66 116.71 2yrn n ARG 41 Ca -0.14 0.35 -0.36 0.00 -0.77 0.00 0.00 57.85 56.93 2yrn n ARG 41 Cb 0.48 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 2yrn n ARG 41 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2yrn s ASP 42 N -6.01 5.20 0.34 0.55 1.47 -1.26 -4.96 116.67 111.99 2yrn s ASP 42 Ca -0.24 -1.93 0.10 0.00 1.18 0.00 0.00 52.55 51.66 2yrn s ASP 42 Cb 0.04 -1.81 0.85 0.00 -0.34 0.00 0.00 42.92 41.66 2yrn s ASP 42 CO 0.36 -0.50 1.79 0.25 0.68 0.00 0.00 175.17 177.75 2yrn h LEU 43 N 8.03 0.67 -0.52 2.11 5.85 -1.89 1.95 115.31 131.51 2yrn h LEU 43 Ca -0.14 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2yrn h LEU 43 Cb 1.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2yrn h LEU 43 CO 0.67 0.22 -0.30 1.56 -0.34 0.00 0.00 178.44 180.26 2yrn h GLN 44 N 0.65 0.88 -0.71 1.25 4.20 -1.93 -2.87 115.11 116.59 2yrn h GLN 44 Ca 0.57 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2yrn h GLN 44 Cb 1.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2yrn h GLN 44 CO -0.34 1.06 0.00 1.04 -0.67 0.00 0.00 178.83 179.92 2yrn n GLN 45 N -4.08 2.84 -0.08 1.46 6.02 0.31 -4.14 117.38 119.71 2yrn n GLN 45 Ca -0.01 -2.61 -0.06 0.00 -0.01 0.00 0.00 57.00 54.31 2yrn n GLN 45 Cb 0.49 -1.62 -0.15 0.00 1.02 0.00 0.00 30.24 29.98 2yrn n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2yrn n ASP 46 N 1.50 0.33 -1.73 1.08 8.00 0.64 -4.43 116.55 121.94 2yrn n ASP 46 Ca 0.24 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 2yrn n ASP 46 Cb 0.65 1.13 0.13 0.00 -0.02 0.00 0.00 41.12 43.01 2yrn n ASP 46 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yrn n VAL 47 N -2.62 2.85 0.00 2.53 0.24 -1.10 -4.14 118.33 116.09 2yrn n VAL 47 Ca -0.26 -3.08 -0.15 0.00 -2.04 0.00 0.00 64.34 58.81 2yrn n VAL 47 Cb 1.02 -0.71 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.29 0.80 0.00 3.34 1.35 -1.76 -3.37 112.91 114.55 2yrn h THR 48 Ca 0.38 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2yrn h THR 48 Cb 1.57 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 2yrn h THR 48 CO 0.81 0.70 -1.38 0.47 -0.25 0.00 0.00 175.52 175.87 2yrn n ASP 49 N -3.28 0.47 0.00 5.36 9.92 -1.26 -4.60 116.55 123.16 2yrn n ASP 49 Ca -0.23 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 2yrn n ASP 49 Cb 1.05 1.22 0.00 0.00 -0.64 0.00 0.00 41.12 42.75 2yrn n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yrn n GLY 50 N 1.32 2.97 0.00 0.44 0.00 -1.26 -4.42 105.19 104.25 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 -0.18 1.61 0.31 -1.26 -1.47 118.33 115.35 2yrn n VAL 51 Ca 0.00 1.42 0.15 0.00 -0.01 0.00 0.00 64.34 65.90 2yrn n VAL 51 Cb 0.00 -2.42 0.49 0.00 -0.91 0.00 0.00 33.84 31.00 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 0.42 -0.21 7.52 6.46 -1.90 -1.26 115.31 126.34 2yrn h LEU 52 Ca 0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2yrn h LEU 52 Cb 0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2yrn h LEU 52 CO 0.00 0.21 0.09 0.25 -0.62 0.00 0.00 178.44 178.37 2yrn h LEU 53 N 0.44 0.12 -0.77 2.25 5.85 -1.70 -2.59 115.31 118.92 2yrn h LEU 53 Ca 0.38 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.05 2yrn h LEU 53 Cb 0.85 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2yrn h LEU 53 CO -0.13 0.10 0.18 0.00 -0.34 0.00 0.00 178.44 178.25 2yrn h ALA 54 N 1.12 0.99 -0.53 1.25 0.00 -0.10 -2.44 119.26 119.55 2yrn h ALA 54 Ca 0.09 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2yrn h ALA 54 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2yrn h ALA 54 CO -0.08 0.66 0.79 1.96 0.00 0.00 0.00 179.25 182.58 2yrn h GLN 55 N 1.06 0.00 0.00 0.00 4.20 -0.98 0.03 115.11 119.42 2yrn h GLN 55 Ca 0.22 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.70 2yrn h GLN 55 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2yrn h GLN 55 CO 0.00 0.00 -1.53 -0.89 -0.67 0.00 0.00 178.83 175.74 2yrn n ILE 56 N -3.26 1.51 -0.16 2.54 5.41 -0.94 -4.13 119.36 120.33 2yrn n ILE 56 Ca 0.11 -0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.74 2yrn n ILE 56 Cb 0.97 -2.10 0.02 0.00 -0.71 0.00 0.00 39.64 37.83 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 -1.00 0.35 -0.08 1.39 2.04 -0.99 0.67 117.51 119.89 2yrn h ILE 57 Ca -0.35 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2yrn h ILE 57 Cb 1.23 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2yrn h ILE 57 CO -0.21 0.00 0.19 1.56 0.00 0.00 0.00 178.15 179.69 2yrn h GLN 58 N -0.10 0.00 0.00 2.37 4.20 -1.19 0.38 115.11 120.76 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 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2yrn h GLN 58 CO -0.56 0.00 -0.42 0.28 -0.67 0.00 0.00 178.83 177.46 2yrn h VAL 59 N 0.00 0.03 -0.05 -0.54 2.07 0.01 0.38 116.25 118.15 2yrn h VAL 59 Ca 0.04 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2yrn h VAL 59 Cb 0.42 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2yrn h VAL 59 CO -0.00 0.01 0.05 1.62 0.02 0.00 0.00 177.57 179.26 2yrn h VAL 60 N -1.00 0.68 0.00 2.57 3.04 -0.36 -0.87 116.25 120.31 2yrn h VAL 60 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2yrn h VAL 60 Cb 0.43 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2yrn h VAL 60 CO -0.00 0.00 -1.36 0.00 -1.01 0.00 0.00 177.57 175.19 2yrn n ALA 61 N -2.41 3.89 -3.52 3.17 0.00 0.13 -4.92 120.51 116.85 2yrn n ALA 61 Ca -0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 2yrn n ALA 61 Cb 0.14 -0.79 0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.83 -2.62 -3.87 0.00 4.13 -0.33 -5.01 115.26 105.73 2yrn n ASN 62 Ca 0.01 -0.65 -0.09 0.00 1.68 0.00 0.00 54.58 55.53 2yrn n ASN 62 Cb 0.43 -4.87 -0.07 0.00 -1.54 0.00 0.00 39.78 33.73 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2yrn s GLU 63 N -5.66 0.88 -0.15 3.52 2.56 0.01 -5.00 118.70 114.86 2yrn s GLU 63 Ca 0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 54.97 54.08 2yrn s GLU 63 Cb -0.05 0.35 -0.02 0.00 2.00 0.00 0.00 34.13 36.40 2yrn s GLU 63 CO 0.75 -0.28 -0.06 0.21 -0.56 0.00 0.00 175.26 175.31 2yrn s LYS 64 N -3.87 3.59 -0.54 4.30 2.20 -1.26 -4.10 119.74 120.06 2yrn s LYS 64 Ca 0.06 -0.56 -0.19 0.00 -0.36 0.00 0.00 55.97 54.92 2yrn s LYS 64 Cb 0.05 -2.84 0.08 0.00 -1.51 0.00 0.00 37.83 33.61 2yrn s LYS 64 CO -0.10 0.24 0.65 0.42 -0.36 0.00 0.00 175.35 176.20 2yrn s ILE 65 N 0.34 4.86 -0.69 5.43 1.01 -1.26 -4.89 121.20 126.00 2yrn s ILE 65 Ca -0.06 -0.73 0.23 0.00 0.00 0.00 0.00 60.65 60.09 2yrn s ILE 65 Cb -0.15 -4.37 0.23 0.00 0.01 0.00 0.00 42.46 38.18 2yrn s ILE 65 CO 0.04 -0.93 1.69 -0.62 0.00 0.00 0.00 174.94 175.12 2yrn n GLU 66 N 6.21 0.15 -0.90 2.79 1.02 -1.26 -3.06 120.64 125.58 2yrn n GLU 66 Ca -0.08 0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 57.18 2yrn n GLU 66 Cb 0.44 -1.75 0.07 0.00 -0.02 0.00 0.00 31.44 30.19 2yrn n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrn n ASP 67 N -2.02 5.51 -4.40 1.62 8.00 -1.26 -4.88 116.55 119.11 2yrn n ASP 67 Ca 0.04 -3.14 -0.33 0.00 0.71 0.00 0.00 54.79 52.06 2yrn n ASP 67 Cb 0.27 -0.91 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 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 -2.57 3.06 0.04 0.53 -1.09 -1.17 -4.50 121.20 115.49 2yrn s ILE 68 Ca 0.38 -0.67 -0.26 0.00 -2.23 0.00 0.00 60.65 57.86 2yrn s ILE 68 Cb 0.30 -2.26 -0.17 0.00 -1.58 0.00 0.00 42.46 38.75 2yrn s ILE 68 CO 0.02 0.54 1.47 -1.13 -1.23 0.00 0.00 174.94 174.61 2yrn h ASN 69 N 6.36 -0.23 0.00 3.58 -1.24 -1.90 -3.47 115.58 118.68 2yrn h ASN 69 Ca -0.31 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2yrn h ASN 69 Cb 1.20 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2yrn h ASN 69 CO 0.54 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 177.31 2yrn n GLY 70 N -0.64 2.45 2.56 1.57 0.00 -1.26 -4.81 105.19 105.06 2yrn n GLY 70 Ca -0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.09 4.45 -0.06 0.00 0.04 -1.26 -4.95 135.00 133.12 2yrn s PRO 72 Ca 0.27 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2yrn s PRO 72 Cb -0.06 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2yrn s PRO 72 CO -0.13 -0.09 -0.07 1.63 0.04 0.00 0.00 177.00 178.38 2yrn n LYS 73 N 1.36 0.13 -3.96 4.56 5.02 -1.26 -5.02 118.16 119.00 2yrn n LYS 73 Ca 0.01 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 2yrn n LYS 73 Cb 0.43 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 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 -5.27 6.21 0.24 4.39 3.84 -1.26 -4.98 114.94 118.11 2yrn s ASN 74 Ca -0.08 0.42 0.01 0.00 0.21 0.00 0.00 52.86 53.42 2yrn s ASN 74 Cb 0.03 -1.98 0.60 0.00 -0.55 0.00 0.00 41.25 39.35 2yrn s ASN 74 CO 0.12 0.40 1.23 0.54 -2.79 0.00 0.00 177.10 176.60 2yrn n ARG 75 N 2.01 -0.06 -0.03 0.43 5.12 -1.26 0.15 116.66 123.02 2yrn n ARG 75 Ca -0.20 1.18 -0.10 0.00 -1.93 0.00 0.00 57.85 56.80 2yrn n ARG 75 Cb 0.55 -1.87 -0.04 0.00 -1.16 0.00 0.00 32.46 29.93 2yrn n ARG 75 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2yrn h SER 76 N 0.00 0.19 -0.47 0.55 4.64 -2.01 -1.95 113.55 114.50 2yrn h SER 76 Ca 0.47 -0.04 0.14 0.00 -0.47 0.00 0.00 61.79 61.90 2yrn h SER 76 Cb 0.97 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2yrn h SER 76 CO -0.74 0.17 0.93 1.56 -0.87 0.00 0.00 176.83 177.88 2yrn h GLN 77 N 0.20 0.00 0.20 4.77 1.08 0.11 1.49 115.11 122.95 2yrn h GLN 77 Ca 0.06 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.95 2yrn h GLN 77 Cb 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2yrn h GLN 77 CO -0.01 0.00 -1.38 0.52 -0.95 0.00 0.00 178.83 177.01 2yrn h MET 78 N 0.00 0.45 -0.50 1.46 2.86 -1.24 -3.32 114.93 114.64 2yrn h MET 78 Ca 0.22 -0.76 0.10 0.00 -2.06 0.00 0.00 59.70 57.20 2yrn h MET 78 Cb 2.08 0.28 -0.10 0.00 0.06 0.00 0.00 31.60 33.92 2yrn h MET 78 CO -0.00 1.36 -0.14 0.82 1.06 0.00 0.00 176.91 180.01 2yrn h ILE 79 N 0.13 0.47 -0.03 -1.22 1.08 0.21 -1.84 117.51 116.30 2yrn h ILE 79 Ca -0.21 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2yrn h ILE 79 Cb 2.08 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.26 2yrn h ILE 79 CO 0.25 0.00 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.16 2yrn h GLU 80 N -0.02 -0.32 -0.12 2.37 5.08 -1.67 -0.81 114.58 119.09 2yrn h GLU 80 Ca 0.24 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2yrn h GLU 80 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2yrn h GLU 80 CO -0.53 -0.21 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.28 2yrn h ASN 81 N -0.33 -0.28 -1.00 1.42 4.21 -1.43 0.30 115.58 118.47 2yrn h ASN 81 Ca 0.07 0.04 0.14 0.00 1.21 0.00 0.00 56.30 57.76 2yrn h ASN 81 Cb 0.43 0.12 -0.09 0.00 -1.12 0.00 0.00 38.32 37.66 2yrn h ASN 81 CO -0.23 -0.03 0.62 0.40 -1.29 0.00 0.00 177.43 176.91 2yrn h ILE 82 N -0.00 0.86 -0.12 2.81 2.04 -1.43 -1.86 117.51 119.80 2yrn h ILE 82 Ca 0.02 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2yrn h ILE 82 Cb 0.06 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 35.94 2yrn h ILE 82 CO -0.12 0.17 -0.16 -0.78 0.00 0.00 0.00 178.15 177.27 2yrn h ASP 83 N 0.93 -0.48 -0.67 1.72 3.58 0.81 -1.53 116.42 120.77 2yrn h ASP 83 Ca 0.52 0.09 0.10 0.00 0.42 0.00 0.00 57.03 58.15 2yrn h ASP 83 Cb 0.60 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.81 2yrn h ASP 83 CO -0.30 -0.20 0.30 0.00 -2.88 0.00 0.00 179.24 176.16 2yrn h ALA 84 N 0.84 0.91 -0.95 -0.78 0.00 0.27 -0.87 119.26 118.68 2yrn h ALA 84 Ca 0.09 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2yrn h ALA 84 Cb 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2yrn h ALA 84 CO -0.24 -0.11 0.63 0.00 0.00 0.00 0.00 179.25 179.53 2yrn h LEU 86 N 1.23 -0.49 -1.89 0.00 3.38 -0.22 -0.44 115.31 116.89 2yrn h LEU 86 Ca 0.37 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.26 2yrn h LEU 86 Cb -0.05 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2yrn h LEU 86 CO -0.10 -0.18 0.09 0.78 0.09 0.00 0.00 178.44 179.12 2yrn h ASN 87 N -0.81 0.13 -0.24 -0.43 2.35 -1.12 -0.92 115.58 114.55 2yrn h ASN 87 Ca -0.06 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 2yrn h ASN 87 Cb 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2yrn h ASN 87 CO 0.10 0.09 -0.57 0.15 -1.65 0.00 0.00 177.43 175.55 2yrn h PHE 88 N 0.15 1.03 -0.47 1.19 3.04 -0.72 -3.14 116.94 118.03 2yrn h PHE 88 Ca 0.05 -0.39 -0.14 0.00 3.98 0.00 0.00 57.97 61.47 2yrn h PHE 88 Cb 0.02 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2yrn h PHE 88 CO -0.00 1.21 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.19 2yrn h LEU 89 N 0.56 1.03 -1.24 0.59 3.38 -0.30 -2.99 115.31 116.33 2yrn h LEU 89 Ca -0.00 -0.40 0.13 0.00 0.09 0.00 0.00 57.88 57.69 2yrn h LEU 89 Cb 1.18 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2yrn h LEU 89 CO 0.12 1.20 0.58 0.00 0.09 0.00 0.00 178.44 180.44 2yrn h ALA 90 N 0.85 1.74 0.00 1.53 0.00 -1.21 0.27 119.26 122.45 2yrn h ALA 90 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 90 Cb 0.82 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2yrn h ALA 90 CO 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.35 2yrn h ALA 91 N 1.58 1.00 0.00 0.00 0.00 -1.47 -1.48 119.26 118.89 2yrn h ALA 91 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2yrn h ALA 91 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2yrn h ALA 91 CO -0.20 0.00 -0.89 1.63 0.00 0.00 0.00 179.25 179.79 2yrn n LYS 92 N -3.09 0.45 0.00 0.00 4.76 0.90 -4.95 118.16 116.23 2yrn n LYS 92 Ca -0.01 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2yrn n LYS 92 Cb 0.19 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2yrn n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yrn n GLY 93 N 1.26 1.28 3.27 0.72 0.00 -0.56 -5.08 105.19 106.08 2yrn n GLY 93 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2yrn n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yrn s ILE 94 N -2.00 2.05 0.08 -0.61 1.01 -1.10 -4.92 121.20 115.71 2yrn s ILE 94 Ca 0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 60.65 59.28 2yrn s ILE 94 Cb 0.00 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.67 2yrn s ILE 94 CO 0.00 0.57 1.30 0.21 0.00 0.00 0.00 174.94 177.02 2yrn s ASN 95 N -0.15 6.94 0.00 3.58 3.84 -1.26 -3.75 114.94 124.14 2yrn s ASN 95 Ca -0.04 2.16 0.00 0.00 0.21 0.00 0.00 52.86 55.19 2yrn s ASN 95 Cb -0.14 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 2yrn s ASN 95 CO 0.04 -0.57 0.00 2.30 -2.79 0.00 0.00 177.10 176.07 2yrn n ILE 96 N 4.01 0.00 -0.27 -5.21 -5.35 -1.26 -4.79 119.36 106.49 2yrn n ILE 96 Ca 0.10 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.61 2yrn n ILE 96 Cb 0.44 -0.47 0.08 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.31 -0.10 -0.24 6.28 6.02 -1.26 0.18 117.38 126.95 2yrn n GLN 97 Ca 0.00 1.13 -0.06 0.00 -0.01 0.00 0.00 57.00 58.06 2yrn n GLN 97 Cb 0.25 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 29.88 2yrn n GLN 97 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2yrn h GLY 98 N 0.00 1.02 -4.04 1.08 0.00 -2.01 -3.42 103.07 95.70 2yrn h GLY 98 Ca 0.32 -0.48 -0.52 0.00 0.00 0.00 0.00 47.33 46.65 2yrn h GLY 98 CO -0.74 0.46 0.64 1.08 0.00 0.00 0.00 176.54 177.98 2yrn s LEU 99 N -9.92 4.43 -0.15 3.11 1.43 0.48 -5.02 118.68 113.05 2yrn s LEU 99 Ca -0.13 2.54 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 2yrn s LEU 99 Cb 0.14 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.74 2yrn s LEU 99 CO 0.79 -0.51 -0.19 -0.44 0.23 0.00 0.00 176.35 176.23 2yrn s SER 100 N -0.14 2.93 0.21 2.29 0.01 -1.26 -4.94 113.70 112.80 2yrn s SER 100 Ca 0.52 -0.57 -0.09 0.00 1.31 0.00 0.00 55.95 57.12 2yrn s SER 100 Cb -0.38 -1.35 0.30 0.00 0.21 0.00 0.00 66.02 64.80 2yrn s SER 100 CO 0.45 0.03 1.71 0.00 0.41 0.00 0.00 173.24 175.84 2yrn h ALA 101 N 7.61 0.74 -0.81 1.44 0.00 -1.93 0.27 119.26 126.58 2yrn h ALA 101 Ca -0.37 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2yrn h ALA 101 Cb 1.17 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2yrn h ALA 101 CO 0.56 -0.29 0.48 1.49 0.00 0.00 0.00 179.25 181.50 2yrn h GLU 102 N 0.28 0.85 -0.20 0.00 4.81 -1.95 0.30 114.58 118.67 2yrn h GLU 102 Ca 0.32 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.38 2yrn h GLU 102 Cb 0.47 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2yrn h GLU 102 CO -0.40 0.56 -0.34 0.93 -0.73 0.00 0.00 179.01 179.04 2yrn h GLU 103 N 0.87 0.58 -0.61 1.92 5.08 -1.56 -2.41 114.58 118.46 2yrn h GLU 103 Ca 0.36 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2yrn h GLU 103 Cb 0.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2yrn h GLU 103 CO -0.19 0.97 0.17 0.82 -1.00 0.00 0.00 179.01 179.78 2yrn h ILE 104 N 0.26 1.24 -0.43 3.13 2.04 -0.04 -2.24 117.51 121.46 2yrn h ILE 104 Ca 0.02 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 2yrn h ILE 104 Cb 0.92 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2yrn h ILE 104 CO 0.08 0.32 -0.18 -0.09 0.00 0.00 0.00 178.15 178.27 2yrn h ARG 105 N 0.90 0.84 0.00 2.37 2.43 -0.40 -2.73 114.38 117.78 2yrn h ARG 105 Ca 0.20 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2yrn h ARG 105 Cb 0.29 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2yrn h ARG 105 CO -0.00 0.96 -0.26 -0.91 -1.51 0.00 0.00 179.97 178.24 2yrn h ASN 106 N 0.74 0.00 0.00 -3.80 2.35 -1.09 -3.42 115.58 110.36 2yrn h ASN 106 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2yrn h ASN 106 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2yrn h ASN 106 CO 0.05 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 2yrn n GLY 107 N -0.54 2.00 3.56 2.83 0.00 -0.94 -5.00 105.19 107.10 2yrn n GLY 107 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 5.83 0.20 1.61 2.47 -0.89 -4.83 114.94 117.34 2yrn s ASN 108 Ca 0.00 0.25 -0.11 0.00 0.42 0.00 0.00 52.86 53.43 2yrn s ASN 108 Cb 0.00 -2.54 0.26 0.00 -1.45 0.00 0.00 41.25 37.52 2yrn s ASN 108 CO 0.00 -1.95 1.24 -0.11 -3.72 0.00 0.00 177.10 172.55 2yrn n LEU 109 N 10.64 -0.42 -0.31 3.21 7.94 -1.26 0.22 117.00 137.01 2yrn n LEU 109 Ca 0.14 1.38 0.10 0.00 -1.11 0.00 0.00 56.01 56.52 2yrn n LEU 109 Cb 0.50 -0.36 0.26 0.00 0.53 0.00 0.00 43.42 44.35 2yrn n LEU 109 CO 0.71 -1.27 1.11 0.11 -1.11 0.00 0.00 177.39 176.94 2yrn h LYS 110 N 0.00 0.60 0.34 1.96 1.79 -1.95 0.15 116.57 119.46 2yrn h LYS 110 Ca 0.32 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.74 2yrn h LYS 110 Cb 0.52 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2yrn h LYS 110 CO -0.80 0.40 -0.16 0.00 -1.08 0.00 0.00 179.45 177.80 2yrn h ALA 111 N 1.61 -0.46 0.15 3.86 0.00 0.23 -2.95 119.26 121.69 2yrn h ALA 111 Ca 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2yrn h ALA 111 Cb 0.79 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2yrn h ALA 111 CO -0.40 -0.53 -0.21 0.82 0.00 0.00 0.00 179.25 178.93 2yrn h ILE 112 N -0.90 0.00 -0.96 0.00 5.03 -0.60 -2.14 117.51 117.94 2yrn h ILE 112 Ca -0.05 0.00 0.37 0.00 -0.12 0.00 0.00 64.86 65.06 2yrn h ILE 112 Cb 0.53 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.14 2yrn h ILE 112 CO 0.08 0.00 0.41 0.18 -0.68 0.00 0.00 178.15 178.13 2yrn n LEU 113 N -3.64 0.24 -0.37 1.44 4.77 0.48 0.16 117.00 120.08 2yrn n LEU 113 Ca -0.04 1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 57.52 2yrn n LEU 113 Cb 0.18 -0.74 0.11 0.00 -2.33 0.00 0.00 43.42 40.65 2yrn n LEU 113 CO 0.09 -1.75 1.29 1.23 -1.33 0.00 0.00 177.39 176.92 2yrn h GLY 114 N 0.00 1.41 0.71 -0.72 0.00 -1.21 0.12 103.07 103.38 2yrn h GLY 114 Ca 0.76 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2yrn h GLY 114 CO -0.77 0.49 -0.34 -2.00 0.00 0.00 0.00 176.54 173.92 2yrn h LEU 115 N 1.33 -0.81 -0.62 3.11 6.46 0.20 -2.36 115.31 122.61 2yrn h LEU 115 Ca 0.37 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 2yrn h LEU 115 Cb -0.12 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2yrn h LEU 115 CO -0.09 -0.47 0.00 0.49 -0.62 0.00 0.00 178.44 177.75 2yrn n PHE 116 N -5.13 0.40 0.12 1.25 3.72 -1.00 -0.46 117.46 116.35 2yrn n PHE 116 Ca -0.12 0.19 -0.19 0.00 -0.05 0.00 0.00 57.45 57.28 2yrn n PHE 116 Cb 0.38 -0.80 -0.14 0.00 -0.94 0.00 0.00 39.48 37.97 2yrn n PHE 116 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2yrn h PHE 117 N 0.00 0.70 0.07 1.38 3.04 -0.48 -3.19 116.94 118.46 2yrn h PHE 117 Ca 0.00 -0.50 -0.36 0.00 3.98 0.00 0.00 57.97 61.09 2yrn h PHE 117 Cb 0.11 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 2yrn h PHE 117 CO 0.00 1.38 -2.08 -1.13 -2.02 0.00 0.00 178.31 174.46 2yrn n SER 118 N -3.62 1.75 -0.12 0.41 3.41 -0.68 -4.11 113.62 110.66 2yrn n SER 118 Ca -0.11 0.16 -0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2yrn n SER 118 Cb 1.04 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.04 0.01 -1.27 1.04 5.85 -0.92 -1.19 115.31 118.86 2yrn h LEU 119 Ca -0.44 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2yrn h LEU 119 Cb 2.02 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 43.09 2yrn h LEU 119 CO 0.05 0.04 0.54 0.77 -0.34 0.00 0.00 178.44 179.50 2yrn h SER 120 N 0.21 0.75 -0.37 1.25 4.64 -1.74 -1.95 113.55 116.34 2yrn h SER 120 Ca 0.20 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2yrn h SER 120 Cb 0.24 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2yrn h SER 120 CO -0.26 0.46 0.22 0.03 -0.87 0.00 0.00 176.83 176.41 2yrn h ARG 121 N 0.84 0.43 -0.78 4.77 3.08 -1.38 0.18 114.38 121.53 2yrn h ARG 121 Ca 0.37 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.51 2yrn h ARG 121 Cb 0.35 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.18 2yrn h ARG 121 CO -0.14 0.29 -0.43 -0.92 -1.07 0.00 0.00 179.97 177.69 2yrn h TYR 122 N 0.44 -1.28 0.11 3.04 3.20 -1.03 -0.94 116.97 120.51 2yrn h TYR 122 Ca 0.15 0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2yrn h TYR 122 Cb 0.00 0.67 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2yrn h TYR 122 CO -0.07 -0.41 -0.05 -0.22 -1.64 0.00 0.00 178.16 175.77 2yrn h LYS 123 N -0.11 -0.14 -0.72 1.82 1.63 -1.57 -2.99 116.57 114.49 2yrn h LYS 123 Ca 0.24 0.01 0.28 0.00 -0.85 0.00 0.00 60.65 60.32 2yrn h LYS 123 Cb 0.55 0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 32.08 2yrn h LYS 123 CO -0.82 0.36 0.29 1.04 -3.45 0.00 0.00 179.45 176.87 2yrn n GLN 124 N -4.85 -0.05 0.01 1.90 6.02 0.63 0.60 117.38 121.64 2yrn n GLN 124 Ca -0.08 1.02 -0.10 0.00 -0.01 0.00 0.00 57.00 57.83 2yrn n GLN 124 Cb 0.28 -1.78 -0.08 0.00 1.02 0.00 0.00 30.24 29.69 2yrn n GLN 124 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2yrn h GLN 125 N 0.00 -0.13 -5.90 -1.09 -0.00 -1.24 -3.39 115.11 103.35 2yrn h GLN 125 Ca 0.57 0.01 -0.56 0.00 -0.00 0.00 0.00 58.65 58.67 2yrn h GLN 125 Cb 1.44 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 28.87 2yrn h GLN 125 CO -0.59 0.36 1.59 -0.65 0.00 0.00 0.00 178.83 179.54 2yrn s GLN 126 N -2.96 3.46 -0.03 1.69 -1.52 0.20 -4.89 119.66 115.61 2yrn s GLN 126 Ca -0.12 -1.31 -0.25 0.00 -1.95 0.00 0.00 55.36 51.73 2yrn s GLN 126 Cb -0.00 -5.37 0.05 0.00 -0.22 0.00 0.00 33.01 27.47 2yrn s GLN 126 CO 0.46 -2.58 0.54 1.14 -0.25 0.00 0.00 175.29 174.60 2yrn s GLN 127 N 5.16 0.92 0.47 2.91 -2.07 -1.25 -4.79 119.66 121.01 2yrn s GLN 127 Ca 0.54 0.08 -0.24 0.00 -1.82 0.00 0.00 55.36 53.92 2yrn s GLN 127 Cb 0.00 0.43 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 2yrn s GLN 127 CO -0.00 -0.28 1.31 -0.65 -1.32 0.00 0.00 175.29 174.35 2yrn s GLN 128 N -1.29 3.61 0.00 9.60 1.11 -1.26 -5.15 119.66 126.29 2yrn s GLN 128 Ca -0.12 2.13 0.16 0.00 0.01 0.00 0.00 55.36 57.54 2yrn s GLN 128 Cb -0.02 -2.50 0.93 0.00 -1.01 0.00 0.00 33.01 30.41 2yrn s GLN 128 CO 0.08 -0.78 1.34 -0.35 0.01 0.00 0.00 175.29 175.59