#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 2.06 0.33 1.61 0.15 -1.26 -5.15 113.70 111.44 2yrn s SER 2 Ca 0.00 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.34 2yrn s SER 2 Cb 0.00 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 2yrn s SER 2 CO 0.00 0.18 0.51 -0.94 1.20 0.00 0.00 173.24 174.18 2yrn s SER 3 N -0.16 6.23 -0.31 5.45 1.04 -1.26 -5.10 113.70 119.59 2yrn s SER 3 Ca 0.01 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.74 2yrn s SER 3 Cb -0.09 -1.87 0.19 0.00 0.10 0.00 0.00 66.02 64.35 2yrn s SER 3 CO 0.01 -0.29 0.74 -0.83 0.98 0.00 0.00 173.24 173.84 2yrn s GLY 4 N -4.05 -1.20 0.23 7.32 0.00 -1.26 -5.09 107.32 103.27 2yrn s GLY 4 Ca 0.40 1.25 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 2yrn s GLY 4 CO 0.34 3.83 0.26 -0.45 0.00 0.00 0.00 173.10 177.08 2yrn s SER 5 N 2.70 0.25 -0.66 1.64 0.15 -1.26 -5.11 113.70 111.41 2yrn s SER 5 Ca 0.16 -1.30 -0.15 0.00 0.70 0.00 0.00 55.95 55.36 2yrn s SER 5 Cb -0.06 0.47 0.17 0.00 -1.71 0.00 0.00 66.02 64.88 2yrn s SER 5 CO -0.22 -0.97 0.61 -0.44 1.20 0.00 0.00 173.24 173.42 2yrn s SER 6 N -3.14 6.42 0.00 5.45 0.01 -1.26 -4.99 113.70 116.19 2yrn s SER 6 Ca 0.34 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.42 2yrn s SER 6 Cb 0.04 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2yrn s SER 6 CO 0.13 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2yrn n GLY 7 N 4.69 4.51 3.82 3.44 0.00 -1.26 -5.12 105.19 115.27 2yrn n GLY 7 Ca -0.02 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 2yrn n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrn s LYS 8 N 4.87 4.09 -0.23 1.61 -2.85 -1.26 -5.07 119.74 120.90 2yrn s LYS 8 Ca 0.00 0.61 -0.05 0.00 -1.00 0.00 0.00 55.97 55.53 2yrn s LYS 8 Cb 0.00 -3.20 -0.01 0.00 -2.06 0.00 0.00 37.83 32.56 2yrn s LYS 8 CO 0.00 0.64 -0.01 0.50 0.10 0.00 0.00 175.35 176.57 2yrn s ARG 9 N -1.21 3.45 0.13 1.78 6.06 -1.26 -5.10 118.95 122.81 2yrn s ARG 9 Ca 0.28 -0.58 0.05 0.00 -2.50 0.00 0.00 55.73 52.98 2yrn s ARG 9 Cb -0.18 -3.09 -0.04 0.00 0.06 0.00 0.00 34.95 31.70 2yrn s ARG 9 CO 0.17 -0.19 -0.13 0.15 -2.50 0.00 0.00 175.30 172.81 2yrn s LYS 10 N 1.49 1.02 -0.26 5.12 1.02 -1.26 -5.11 119.74 121.77 2yrn s LYS 10 Ca 0.06 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 2yrn s LYS 10 Cb -0.14 -0.82 -0.02 0.00 -0.52 0.00 0.00 37.83 36.32 2yrn s LYS 10 CO -0.01 0.15 1.64 -1.25 -0.92 0.00 0.00 175.35 174.96 2yrn s PRO 11 N -2.90 3.66 -0.07 -1.68 0.04 -1.26 -4.98 135.00 127.81 2yrn s PRO 11 Ca 0.10 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 2yrn s PRO 11 Cb -0.03 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.45 2yrn s PRO 11 CO 0.02 -1.46 0.24 0.54 0.04 0.00 0.00 177.00 176.39 2yrn s VAL 12 N 5.64 0.02 0.31 -0.36 0.11 -1.26 -5.16 120.40 119.70 2yrn s VAL 12 Ca 0.73 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.51 2yrn s VAL 12 Cb -0.23 -0.39 -0.08 0.00 -1.53 0.00 0.00 36.38 34.15 2yrn s VAL 12 CO 0.31 -0.07 0.71 -0.63 -3.33 0.00 0.00 175.10 172.08 2yrn s ILE 13 N -0.20 4.73 -0.63 7.04 -1.09 -1.26 -5.05 121.20 124.74 2yrn s ILE 13 Ca -0.03 0.83 0.05 0.00 -2.23 0.00 0.00 60.65 59.27 2yrn s ILE 13 Cb -0.03 -3.62 0.17 0.00 -1.58 0.00 0.00 42.46 37.40 2yrn s ILE 13 CO 0.01 -0.20 0.44 -1.00 -1.23 0.00 0.00 174.94 172.96 2yrn s HIS 14 N -1.99 3.04 1.02 3.97 3.76 -1.26 -5.05 115.29 118.78 2yrn s HIS 14 Ca 0.53 -3.12 -0.23 0.00 -0.15 0.00 0.00 55.06 52.09 2yrn s HIS 14 Cb -0.10 -2.36 -0.11 0.00 1.11 0.00 0.00 32.58 31.11 2yrn s HIS 14 CO 0.19 -0.62 -0.98 0.41 -0.85 0.00 0.00 174.74 172.89 2yrn n GLY 15 N 2.25 -3.17 0.39 -2.22 0.00 -1.26 -3.60 105.19 97.58 2yrn n GLY 15 Ca 0.20 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 2yrn n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yrn h LEU 16 N -1.25 -1.53 -1.21 0.99 3.38 -1.99 0.80 115.31 114.49 2yrn h LEU 16 Ca -0.43 0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2yrn h LEU 16 Cb 1.37 0.76 -0.05 0.00 0.09 0.00 0.00 40.66 42.82 2yrn h LEU 16 CO 0.26 -0.29 0.55 1.05 0.09 0.00 0.00 178.44 180.10 2yrn h GLU 17 N -0.05 0.95 -0.57 1.13 4.11 -2.02 -1.57 114.58 116.56 2yrn h GLU 17 Ca 0.28 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.58 2yrn h GLU 17 Cb 0.56 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2yrn h GLU 17 CO -0.91 0.63 0.06 -0.44 0.07 0.00 0.00 179.01 178.42 2yrn h ASP 18 N 0.98 0.90 0.02 3.06 3.32 0.23 -3.08 116.42 121.85 2yrn h ASP 18 Ca 0.35 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2yrn h ASP 18 Cb 0.14 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2yrn h ASP 18 CO -0.12 0.93 -0.01 1.56 -1.72 0.00 0.00 179.24 179.89 2yrn h GLN 19 N 0.88 -0.02 -1.01 3.56 4.20 0.33 -2.59 115.11 120.45 2yrn h GLN 19 Ca 0.17 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.24 2yrn h GLN 19 Cb 0.44 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.12 2yrn h GLN 19 CO 0.02 0.01 0.64 1.17 -0.67 0.00 0.00 178.83 180.00 2yrn n LYS 20 N -5.09 -0.03 0.04 1.46 4.81 -1.00 -0.40 118.16 117.95 2yrn n LYS 20 Ca -0.07 0.96 -0.02 0.00 -0.87 0.00 0.00 58.31 58.31 2yrn n LYS 20 Cb 0.05 -1.88 -0.01 0.00 0.02 0.00 0.00 35.03 33.21 2yrn n LYS 20 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2yrn h ARG 21 N 0.00 -0.15 -0.69 1.64 1.12 -1.59 -2.78 114.38 111.92 2yrn h ARG 21 Ca 0.67 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.68 2yrn h ARG 21 Cb 2.10 0.03 -0.13 0.00 -0.01 0.00 0.00 29.97 31.97 2yrn h ARG 21 CO -0.38 -0.10 -0.19 -0.89 -3.11 0.00 0.00 179.97 175.30 2yrn n ILE 22 N -3.65 -0.30 0.01 1.20 5.41 0.46 0.12 119.36 122.61 2yrn n ILE 22 Ca -0.02 1.59 -0.12 0.00 1.00 0.00 0.00 62.75 65.20 2yrn n ILE 22 Cb 0.06 -2.19 -0.08 0.00 -0.71 0.00 0.00 39.64 36.72 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 0.03 -0.85 1.39 0.05 -1.50 -2.54 116.97 113.55 2yrn h TYR 23 Ca 0.32 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.30 2yrn h TYR 23 Cb 0.49 -0.01 -0.16 0.00 1.01 0.00 0.00 36.73 38.07 2yrn h TYR 23 CO -0.54 0.22 -0.06 1.15 -1.05 0.00 0.00 178.16 177.88 2yrn h THR 24 N -0.17 0.19 -0.41 -2.88 2.02 0.12 0.29 112.91 112.08 2yrn h THR 24 Ca 0.01 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2yrn h THR 24 Cb 0.21 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2yrn h THR 24 CO -0.00 0.01 0.05 -0.78 0.37 0.00 0.00 175.52 175.17 2yrn h ASP 25 N 0.05 0.66 -0.93 4.18 3.58 -1.24 0.61 116.42 123.33 2yrn h ASP 25 Ca 0.46 -0.27 0.11 0.00 0.42 0.00 0.00 57.03 57.75 2yrn h ASP 25 Cb 0.83 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 2yrn h ASP 25 CO -0.80 0.77 0.56 -0.25 -2.88 0.00 0.00 179.24 176.64 2yrn h TRP 26 N 0.54 1.02 0.11 0.28 7.01 -0.07 -2.21 115.95 122.63 2yrn h TRP 26 Ca 0.12 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2yrn h TRP 26 Cb 0.39 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2yrn h TRP 26 CO 0.03 0.42 -0.05 0.00 -2.79 0.00 0.00 178.44 176.05 2yrn h ALA 27 N 1.50 -0.15 -0.96 2.65 0.00 -0.87 -3.31 119.26 118.12 2yrn h ALA 27 Ca 0.45 -0.17 0.40 0.00 0.00 0.00 0.00 54.91 55.58 2yrn h ALA 27 Cb 0.41 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.09 2yrn h ALA 27 CO -0.25 -0.16 0.53 0.09 0.00 0.00 0.00 179.25 179.45 2yrn n ASN 28 N -4.84 0.32 -0.24 0.00 3.02 0.19 0.16 115.26 113.87 2yrn n ASN 28 Ca -0.05 1.53 0.01 0.00 -0.03 0.00 0.00 54.58 56.04 2yrn n ASN 28 Cb 0.19 -0.75 0.13 0.00 -0.61 0.00 0.00 39.78 38.74 2yrn n ASN 28 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2yrn h HIS 29 N 0.00 0.62 0.00 3.10 -0.00 -1.48 0.25 115.15 117.63 2yrn h HIS 29 Ca 0.80 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 61.15 2yrn h HIS 29 Cb 2.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 29.38 2yrn h HIS 29 CO -0.01 0.23 -0.20 1.88 -0.00 0.00 0.00 177.93 179.83 2yrn h TYR 30 N 0.59 0.00 0.01 5.26 0.05 0.15 -1.81 116.97 121.21 2yrn h TYR 30 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 2yrn h TYR 30 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2yrn h TYR 30 CO -0.11 0.20 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.13 2yrn h LEU 31 N 0.00 -0.01 -0.18 3.88 3.38 -0.48 -3.27 115.31 118.62 2yrn h LEU 31 Ca -0.00 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2yrn h LEU 31 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2yrn h LEU 31 CO 0.03 0.64 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 2yrn h ALA 32 N -0.69 0.14 -1.05 1.53 0.00 -0.65 -1.79 119.26 116.76 2yrn h ALA 32 Ca -0.00 0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.26 2yrn h ALA 32 Cb 0.31 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 2yrn h ALA 32 CO 0.00 -0.45 0.63 1.57 0.00 0.00 0.00 179.25 181.00 2yrn h LYS 33 N 0.04 0.38 -1.09 0.00 2.10 -1.49 0.87 116.57 117.38 2yrn h LYS 33 Ca 0.08 -0.02 -0.30 0.00 -2.00 0.00 0.00 60.65 58.41 2yrn h LYS 33 Cb 0.11 -0.09 -0.17 0.00 -0.90 0.00 0.00 32.23 31.19 2yrn h LYS 33 CO -0.16 0.25 0.38 -1.13 -2.00 0.00 0.00 179.45 176.80 2yrn n SER 34 N -4.86 4.03 -3.56 7.07 3.41 -0.74 -4.88 113.62 114.09 2yrn n SER 34 Ca 0.29 -2.93 -0.26 0.00 -0.26 0.00 0.00 58.87 55.72 2yrn n SER 34 Cb 0.94 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 2yrn n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrn n GLY 35 N -0.28 -1.07 2.94 5.00 0.00 0.30 -4.96 105.19 107.12 2yrn n GLY 35 Ca 0.33 0.49 -0.30 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.38 3.39 0.00 1.61 5.04 -0.80 -4.98 115.29 116.16 2yrn s HIS 36 Ca 0.40 -3.23 0.00 0.00 -1.54 0.00 0.00 55.06 50.70 2yrn s HIS 36 Cb -0.13 -2.80 0.00 0.00 0.04 0.00 0.00 32.58 29.69 2yrn s HIS 36 CO 0.83 -0.66 0.82 1.63 -2.34 0.00 0.00 174.74 175.03 2yrn n LYS 37 N 2.60 0.00 -1.32 2.88 5.02 -1.26 -4.25 118.16 121.83 2yrn n LYS 37 Ca 0.12 0.82 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 2yrn n LYS 37 Cb 0.34 -1.26 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2yrn n LYS 37 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2yrn n ARG 38 N -2.63 0.20 -4.46 1.97 0.63 -1.26 -4.96 116.66 106.14 2yrn n ARG 38 Ca 0.00 0.08 -0.25 0.00 -0.92 0.00 0.00 57.85 56.76 2yrn n ARG 38 Cb 0.00 -1.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.54 2yrn n ARG 38 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2yrn s LEU 39 N 3.30 1.93 -0.46 6.15 1.43 -1.26 -4.82 118.68 124.95 2yrn s LEU 39 Ca 0.61 -1.76 -0.17 0.00 -1.03 0.00 0.00 54.13 51.78 2yrn s LEU 39 Cb -0.46 0.13 0.04 0.00 0.03 0.00 0.00 46.19 45.94 2yrn s LEU 39 CO 0.62 -1.03 0.49 -0.63 0.23 0.00 0.00 176.35 176.03 2yrn s ILE 40 N -3.23 5.05 -0.12 -0.59 1.01 -1.26 -4.94 121.20 117.12 2yrn s ILE 40 Ca 0.27 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 2yrn s ILE 40 Cb 0.01 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2yrn s ILE 40 CO 0.19 -0.58 0.05 0.03 0.00 0.00 0.00 174.94 174.64 2yrn h ARG 41 N 8.82 0.00 -4.57 2.79 2.47 -1.98 -3.44 114.38 118.46 2yrn h ARG 41 Ca -0.27 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.76 2yrn h ARG 41 Cb 1.11 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.07 2yrn h ARG 41 CO 0.87 0.19 -0.61 -0.51 0.56 0.00 0.00 179.97 180.46 2yrn s ASP 42 N -5.77 5.09 0.32 7.04 1.11 -1.26 -4.97 116.67 118.23 2yrn s ASP 42 Ca -0.09 -1.96 0.10 0.00 0.18 0.00 0.00 52.55 50.78 2yrn s ASP 42 Cb 0.01 -1.77 0.95 0.00 1.07 0.00 0.00 42.92 43.18 2yrn s ASP 42 CO 0.19 -0.47 1.66 0.25 1.18 0.00 0.00 175.17 177.98 2yrn h LEU 43 N 7.94 0.32 -1.39 1.23 5.85 -1.85 1.50 115.31 128.90 2yrn h LEU 43 Ca -0.12 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2yrn h LEU 43 Cb 1.04 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2yrn h LEU 43 CO 0.63 -0.15 -0.31 1.56 -0.34 0.00 0.00 178.44 179.84 2yrn h GLN 44 N 0.28 0.00 -0.47 1.25 4.20 -1.93 -2.27 115.11 116.17 2yrn h GLN 44 Ca 0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.38 2yrn h GLN 44 Cb 1.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.25 2yrn h GLN 44 CO -0.63 0.31 0.00 1.04 -0.67 0.00 0.00 178.83 178.88 2yrn n GLN 45 N -4.12 2.51 0.00 1.46 6.02 0.44 -4.17 117.38 119.51 2yrn n GLN 45 Ca -0.02 -2.29 0.10 0.00 -0.01 0.00 0.00 57.00 54.78 2yrn n GLN 45 Cb 0.35 -1.47 -0.10 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 1.32 1.11 -1.66 1.08 2.03 0.29 -4.36 116.55 116.36 2yrn n ASP 46 Ca 0.19 -1.06 -0.02 0.00 0.52 0.00 0.00 54.79 54.42 2yrn n ASP 46 Cb 0.56 0.93 0.08 0.00 -0.72 0.00 0.00 41.12 41.96 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 -1.28 1.41 0.02 5.18 0.24 -1.17 -3.50 118.33 119.23 2yrn n VAL 47 Ca 0.05 -2.71 0.01 0.00 -2.04 0.00 0.00 64.34 59.65 2yrn n VAL 47 Cb 0.34 0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.91 2yrn n VAL 47 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2yrn n THR 48 N -0.44 1.04 0.30 3.34 -2.24 -1.26 -4.23 114.28 110.79 2yrn n THR 48 Ca 0.18 -0.67 0.06 0.00 -2.27 0.00 0.00 64.05 61.34 2yrn n THR 48 Cb 0.91 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 2yrn n THR 48 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2yrn n ASP 49 N -2.79 1.31 0.00 3.42 5.68 -1.26 -4.65 116.55 118.26 2yrn n ASP 49 Ca -0.10 -0.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 2yrn n ASP 49 Cb 0.81 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 42.05 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 1.52 3.00 0.20 6.12 0.00 -1.26 -4.45 105.19 110.31 2yrn n GLY 50 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 1.61 2.07 -1.93 -0.84 116.25 117.11 2yrn h VAL 51 Ca 0.00 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2yrn h VAL 51 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2yrn h VAL 51 CO 0.00 0.00 0.05 0.25 0.02 0.00 0.00 177.57 177.89 2yrn h LEU 52 N -0.54 0.00 0.26 2.57 6.46 -1.89 -2.02 115.31 120.15 2yrn h LEU 52 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2yrn h LEU 52 Cb 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2yrn h LEU 52 CO 0.08 0.00 -0.12 0.25 -0.62 0.00 0.00 178.44 178.03 2yrn h LEU 53 N 0.00 -0.30 -1.21 2.25 5.85 -1.56 -3.12 115.31 117.21 2yrn h LEU 53 Ca 0.02 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2yrn h LEU 53 Cb 0.11 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2yrn h LEU 53 CO -0.00 0.03 0.36 0.00 -0.34 0.00 0.00 178.44 178.48 2yrn h ALA 54 N 0.01 1.40 -0.34 1.25 0.00 -0.72 -1.92 119.26 118.94 2yrn h ALA 54 Ca -0.04 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2yrn h ALA 54 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2yrn h ALA 54 CO 0.06 0.50 0.65 1.96 0.00 0.00 0.00 179.25 182.42 2yrn h GLN 55 N 0.91 0.00 0.01 0.00 4.20 -1.31 -0.18 115.11 118.74 2yrn h GLN 55 Ca 0.23 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.58 2yrn h GLN 55 Cb 0.02 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2yrn h GLN 55 CO -0.04 0.00 -2.01 -0.89 -0.67 0.00 0.00 178.83 175.22 2yrn n ILE 56 N -3.16 1.54 0.03 2.54 5.41 -0.73 -4.17 119.36 120.81 2yrn n ILE 56 Ca 0.06 -0.27 -0.11 0.00 1.00 0.00 0.00 62.75 63.43 2yrn n ILE 56 Cb 0.79 -1.91 -0.04 0.00 -0.71 0.00 0.00 39.64 37.77 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 -0.88 0.34 -0.09 1.39 2.04 -0.98 0.19 117.51 119.51 2yrn h ILE 57 Ca -0.54 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.34 2yrn h ILE 57 Cb 1.54 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2yrn h ILE 57 CO -0.29 0.00 0.34 1.56 0.00 0.00 0.00 178.15 179.75 2yrn h GLN 58 N -0.40 0.00 0.00 2.37 4.20 -1.24 0.27 115.11 120.31 2yrn h GLN 58 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2yrn h GLN 58 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2yrn h GLN 58 CO -0.30 0.00 -0.07 0.28 -0.67 0.00 0.00 178.83 178.07 2yrn h VAL 59 N 0.00 0.00 -0.87 -0.54 2.07 -0.89 -1.02 116.25 115.00 2yrn h VAL 59 Ca 0.04 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.50 2yrn h VAL 59 Cb 0.72 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2yrn h VAL 59 CO -0.00 0.00 0.57 1.62 0.02 0.00 0.00 177.57 179.78 2yrn h VAL 60 N -0.24 0.74 0.00 2.57 3.04 -0.78 0.11 116.25 121.69 2yrn h VAL 60 Ca 0.00 -0.16 -0.11 0.00 -1.01 0.00 0.00 66.70 65.41 2yrn h VAL 60 Cb 0.07 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.55 2yrn h VAL 60 CO 0.00 0.09 -0.95 0.00 -1.01 0.00 0.00 177.57 175.70 2yrn h ALA 61 N 1.62 0.66 -3.63 3.17 0.00 -0.65 -3.48 119.26 116.94 2yrn h ALA 61 Ca 0.45 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2yrn h ALA 61 Cb 0.99 0.10 0.07 0.00 0.00 0.00 0.00 17.79 18.95 2yrn h ALA 61 CO -0.18 0.65 -0.39 0.09 0.00 0.00 0.00 179.25 179.42 2yrn n ASN 62 N -3.00 -4.53 -4.10 0.00 3.02 0.37 -5.03 115.26 102.00 2yrn n ASN 62 Ca -0.03 -0.28 -0.08 0.00 -0.03 0.00 0.00 54.58 54.16 2yrn n ASN 62 Cb 0.75 -3.18 -0.10 0.00 -0.61 0.00 0.00 39.78 36.64 2yrn n ASN 62 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2yrn s GLU 63 N -5.65 0.65 -0.09 3.52 2.56 -0.48 -5.00 118.70 114.21 2yrn s GLU 63 Ca 0.31 -1.24 -0.02 0.00 0.00 0.00 0.00 54.97 54.02 2yrn s GLU 63 Cb -0.14 0.17 -0.03 0.00 2.00 0.00 0.00 34.13 36.13 2yrn s GLU 63 CO 0.38 -0.11 -0.00 -1.59 -0.56 0.00 0.00 175.26 173.38 2yrn s LYS 64 N -3.92 3.02 -0.43 4.30 -2.85 -1.26 -4.08 119.74 114.52 2yrn s LYS 64 Ca 0.08 -0.42 -0.08 0.00 -1.00 0.00 0.00 55.97 54.56 2yrn s LYS 64 Cb 0.08 -2.79 0.10 0.00 -2.06 0.00 0.00 37.83 33.15 2yrn s LYS 64 CO -0.09 0.67 0.27 0.42 0.10 0.00 0.00 175.35 176.72 2yrn s ILE 65 N -0.79 3.99 -0.62 3.79 1.01 -1.26 -4.92 121.20 122.40 2yrn s ILE 65 Ca 0.12 -1.67 0.25 0.00 0.00 0.00 0.00 60.65 59.34 2yrn s ILE 65 Cb -0.11 -3.56 0.26 0.00 0.01 0.00 0.00 42.46 39.05 2yrn s ILE 65 CO 0.02 -0.63 1.74 -0.62 0.00 0.00 0.00 174.94 175.45 2yrn n GLU 66 N 4.84 0.21 -0.51 2.79 1.02 -1.26 -3.12 120.64 124.62 2yrn n GLU 66 Ca -0.08 0.32 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 2yrn n GLU 66 Cb 0.42 -1.82 0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.21 3.67 -4.30 1.62 8.00 -1.26 -4.82 116.55 117.26 2yrn n ASP 67 Ca 0.04 -2.65 -0.35 0.00 0.71 0.00 0.00 54.79 52.54 2yrn n ASP 67 Cb 0.32 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.32 3.39 0.20 0.53 -1.09 -1.18 -4.56 121.20 117.17 2yrn s ILE 68 Ca 0.22 -0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 57.85 2yrn s ILE 68 Cb 0.18 -2.60 0.16 0.00 -1.58 0.00 0.00 42.46 38.62 2yrn s ILE 68 CO 0.04 0.34 1.58 -1.13 -1.23 0.00 0.00 174.94 174.54 2yrn h ASN 69 N 8.12 -1.16 0.00 3.58 -1.24 -1.88 -3.45 115.58 119.54 2yrn h ASN 69 Ca -0.39 0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2yrn h ASN 69 Cb 1.15 0.59 0.00 0.00 0.73 0.00 0.00 38.32 40.79 2yrn h ASN 69 CO 0.60 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 177.05 2yrn n GLY 70 N -1.45 2.60 2.66 1.57 0.00 -1.26 -4.84 105.19 104.47 2yrn n GLY 70 Ca 0.06 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.65 4.36 0.00 0.00 0.04 -1.26 -4.90 135.00 132.59 2yrn s PRO 72 Ca 0.28 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2yrn s PRO 72 Cb -0.02 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2yrn s PRO 72 CO -0.17 -0.33 0.00 1.63 0.04 0.00 0.00 177.00 178.17 2yrn n LYS 73 N 3.28 0.00 -2.02 4.56 5.02 -1.26 -4.94 118.16 122.80 2yrn n LYS 73 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 2yrn n LYS 73 Cb 0.43 -0.31 0.02 0.00 -0.02 0.00 0.00 35.03 35.15 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 -4.98 6.00 0.50 4.39 2.47 -1.26 -4.96 114.94 117.10 2yrn s ASN 74 Ca 0.00 1.23 0.18 0.00 0.42 0.00 0.00 52.86 54.69 2yrn s ASN 74 Cb 0.00 -2.25 1.22 0.00 -1.45 0.00 0.00 41.25 38.77 2yrn s ASN 74 CO 0.00 -0.96 2.09 0.08 -3.72 0.00 0.00 177.10 174.59 2yrn h ARG 75 N -0.31 0.00 0.09 0.43 -0.00 -2.02 -2.89 114.38 109.68 2yrn h ARG 75 Ca -0.45 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.31 2yrn h ARG 75 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2yrn h ARG 75 CO 0.62 0.09 -1.11 0.66 -0.00 0.00 0.00 179.97 180.23 2yrn h SER 76 N 0.00 0.30 -0.93 0.08 4.64 -2.02 -3.37 113.55 112.26 2yrn h SER 76 Ca -0.00 -0.84 0.22 0.00 -0.47 0.00 0.00 61.79 60.70 2yrn h SER 76 Cb 0.17 -0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 61.99 2yrn h SER 76 CO 0.01 1.49 -0.07 1.56 -0.87 0.00 0.00 176.83 178.95 2yrn h GLN 77 N -0.49 0.02 -0.91 4.77 4.20 -1.89 1.06 115.11 121.87 2yrn h GLN 77 Ca -0.24 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.59 2yrn h GLN 77 Cb 1.59 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.29 2yrn h GLN 77 CO 0.03 0.02 0.58 0.52 -0.67 0.00 0.00 178.83 179.31 2yrn h MET 78 N 0.02 0.78 0.28 1.46 2.86 -1.69 -2.57 114.93 116.07 2yrn h MET 78 Ca 0.51 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2yrn h MET 78 Cb 0.94 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2yrn h MET 78 CO -0.89 0.52 -0.48 0.82 1.06 0.00 0.00 176.91 177.93 2yrn h ILE 79 N 0.80 0.06 -0.98 -1.22 1.08 0.10 -1.90 117.51 115.46 2yrn h ILE 79 Ca 0.45 0.00 0.33 0.00 -0.39 0.00 0.00 64.86 65.25 2yrn h ILE 79 Cb 0.58 0.06 -0.17 0.00 -3.07 0.00 0.00 36.82 34.22 2yrn h ILE 79 CO -0.21 0.00 0.30 -0.33 -0.69 0.00 0.00 178.15 177.22 2yrn h GLU 80 N -0.82 0.05 0.17 2.37 3.07 -1.36 0.21 114.58 118.26 2yrn h GLU 80 Ca -0.02 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2yrn h GLU 80 Cb 0.78 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 2yrn h GLU 80 CO -0.18 0.03 -0.21 -0.91 -1.40 0.00 0.00 179.01 176.35 2yrn h ASN 81 N 0.05 -0.59 -0.97 1.42 4.21 -1.35 0.21 115.58 118.57 2yrn h ASN 81 Ca 0.71 0.05 0.08 0.00 1.21 0.00 0.00 56.30 58.35 2yrn h ASN 81 Cb 1.66 0.20 -0.07 0.00 -1.12 0.00 0.00 38.32 38.99 2yrn h ASN 81 CO -0.81 -0.26 0.62 0.40 -1.29 0.00 0.00 177.43 176.09 2yrn h ILE 82 N -0.38 1.03 -0.05 2.81 2.04 -1.01 -2.31 117.51 119.64 2yrn h ILE 82 Ca -0.02 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2yrn h ILE 82 Cb 0.34 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2yrn h ILE 82 CO -0.05 0.20 -0.09 -0.78 0.00 0.00 0.00 178.15 177.43 2yrn h ASP 83 N 1.08 -0.26 -0.92 1.72 3.58 -0.36 -1.52 116.42 119.74 2yrn h ASP 83 Ca 0.44 0.05 0.12 0.00 0.42 0.00 0.00 57.03 58.06 2yrn h ASP 83 Cb 0.25 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 2yrn h ASP 83 CO -0.20 -0.12 0.59 0.00 -2.88 0.00 0.00 179.24 176.63 2yrn h ALA 84 N 0.90 1.69 -0.60 -0.78 0.00 -0.04 -0.75 119.26 119.69 2yrn h ALA 84 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2yrn h ALA 84 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2yrn h ALA 84 CO -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.20 2yrn h LEU 86 N 0.95 0.05 -1.11 0.00 3.38 -0.21 -1.39 115.31 116.98 2yrn h LEU 86 Ca 0.17 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2yrn h LEU 86 Cb 0.56 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2yrn h LEU 86 CO 0.03 0.30 -0.01 0.78 0.09 0.00 0.00 178.44 179.62 2yrn h ASN 87 N -0.20 0.57 -0.21 -0.43 2.35 -1.18 -1.46 115.58 115.02 2yrn h ASN 87 Ca 0.01 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2yrn h ASN 87 Cb 0.27 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2yrn h ASN 87 CO 0.00 0.65 -0.20 0.15 -1.65 0.00 0.00 177.43 176.39 2yrn h PHE 88 N 0.57 0.73 -0.10 1.19 3.04 -0.88 -2.91 116.94 118.59 2yrn h PHE 88 Ca 0.12 -0.15 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 2yrn h PHE 88 Cb 0.38 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.72 2yrn h PHE 88 CO 0.02 0.80 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.73 2yrn h LEU 89 N 0.58 0.44 -0.74 0.59 3.38 -0.85 -3.20 115.31 115.52 2yrn h LEU 89 Ca 0.09 -0.61 0.15 0.00 0.09 0.00 0.00 57.88 57.60 2yrn h LEU 89 Cb 0.66 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 2yrn h LEU 89 CO 0.05 0.97 0.26 0.00 0.09 0.00 0.00 178.44 179.81 2yrn h ALA 90 N 0.48 1.01 0.00 1.53 0.00 -1.22 0.29 119.26 121.35 2yrn h ALA 90 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2yrn h ALA 90 Cb 0.93 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2yrn h ALA 90 CO 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.02 2yrn h ALA 91 N 1.56 1.81 0.00 0.00 0.00 -1.54 0.41 119.26 121.51 2yrn h ALA 91 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2yrn h ALA 91 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2yrn h ALA 91 CO -0.43 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.50 2yrn n LYS 92 N -4.32 0.01 0.00 0.00 4.76 0.97 -4.87 118.16 114.72 2yrn n LYS 92 Ca -0.03 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2yrn n LYS 92 Cb 0.12 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 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 1.17 1.80 3.43 0.72 0.00 0.13 -5.07 105.19 107.38 2yrn n GLY 93 Ca 0.06 0.00 -0.35 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 3.92 -0.25 -0.61 1.01 -1.01 -4.95 121.20 117.31 2yrn s ILE 94 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2yrn s ILE 94 Cb 0.00 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 2yrn s ILE 94 CO 0.00 0.42 1.86 0.21 0.00 0.00 0.00 174.94 177.43 2yrn s ASN 95 N 1.14 5.96 -0.01 3.58 2.47 -1.26 -3.66 114.94 123.16 2yrn s ASN 95 Ca 0.03 1.63 0.13 0.00 0.42 0.00 0.00 52.86 55.07 2yrn s ASN 95 Cb -0.14 -2.52 -0.19 0.00 -1.45 0.00 0.00 41.25 36.94 2yrn s ASN 95 CO 0.01 -1.60 0.36 2.30 -3.72 0.00 0.00 177.10 174.45 2yrn n ILE 96 N 7.09 0.00 -1.57 -5.21 -5.35 -1.26 -4.91 119.36 108.15 2yrn n ILE 96 Ca 0.23 -0.27 -0.52 0.00 -0.27 0.00 0.00 62.75 61.92 2yrn n ILE 96 Cb 0.45 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.71 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 -1.78 0.98 0.00 6.28 1.13 -1.26 -1.81 117.38 120.91 2yrn n GLN 97 Ca -0.01 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2yrn n GLN 97 Cb 0.30 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.74 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 2.21 2.91 2.79 1.08 0.00 -1.26 -5.07 105.19 107.86 2yrn n GLY 98 Ca 0.17 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2yrn n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrn n LEU 99 N 0.00 0.00 -3.15 0.99 4.77 -0.75 -5.07 117.00 113.79 2yrn n LEU 99 Ca 0.00 -0.82 0.04 0.00 -0.03 0.00 0.00 56.01 55.20 2yrn n LEU 99 Cb 0.00 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 2yrn n LEU 99 CO 0.00 -2.47 0.24 -0.44 -1.33 0.00 0.00 177.39 173.39 2yrn s SER 100 N -3.26 -1.24 0.31 -1.43 0.01 -1.26 -5.03 113.70 101.80 2yrn s SER 100 Ca 0.58 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.49 2yrn s SER 100 Cb -0.09 1.97 0.85 0.00 0.21 0.00 0.00 66.02 68.96 2yrn s SER 100 CO 0.48 -0.23 1.61 0.00 0.41 0.00 0.00 173.24 175.51 2yrn h ALA 101 N 7.96 1.43 0.11 1.44 0.00 -1.95 0.20 119.26 128.44 2yrn h ALA 101 Ca -0.16 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2yrn h ALA 101 Cb 1.17 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2yrn h ALA 101 CO 0.16 -0.59 -0.14 1.49 0.00 0.00 0.00 179.25 180.17 2yrn h GLU 102 N 0.12 -0.29 -0.85 0.00 4.81 -1.96 0.03 114.58 116.45 2yrn h GLU 102 Ca 0.63 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.97 2yrn h GLU 102 Cb 1.37 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.74 2yrn h GLU 102 CO -0.76 -0.19 0.49 0.93 -0.73 0.00 0.00 179.01 178.76 2yrn h GLU 103 N -0.30 0.80 -0.57 1.92 4.39 -1.07 -1.41 114.58 118.33 2yrn h GLU 103 Ca 0.01 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 2yrn h GLU 103 Cb 0.30 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2yrn h GLU 103 CO -0.06 0.53 0.09 0.82 -1.16 0.00 0.00 179.01 179.23 2yrn h ILE 104 N 0.82 1.26 -0.44 3.13 2.04 -0.81 -2.06 117.51 121.45 2yrn h ILE 104 Ca 0.41 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2yrn h ILE 104 Cb 0.39 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2yrn h ILE 104 CO -0.25 0.35 0.24 -0.09 0.00 0.00 0.00 178.15 178.40 2yrn h ARG 105 N 0.83 0.61 0.00 2.37 2.43 0.01 -1.41 114.38 119.22 2yrn h ARG 105 Ca 0.17 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2yrn h ARG 105 Cb 0.41 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2yrn h ARG 105 CO 0.01 0.46 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.60 2yrn h ASN 106 N 0.62 0.00 0.00 -3.80 2.35 -1.00 -3.43 115.58 110.31 2yrn h ASN 106 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2yrn h ASN 106 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2yrn h ASN 106 CO -0.03 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 2yrn n GLY 107 N 0.29 1.15 3.58 2.83 0.00 -0.53 -5.03 105.19 107.48 2yrn n GLY 107 Ca -0.00 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 5.60 0.09 1.61 2.47 -0.81 -4.81 114.94 117.09 2yrn s ASN 108 Ca 0.00 1.11 -0.19 0.00 0.42 0.00 0.00 52.86 54.20 2yrn s ASN 108 Cb 0.00 -2.52 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 2yrn s ASN 108 CO 0.00 -1.97 1.33 0.25 -3.72 0.00 0.00 177.10 172.99 2yrn h LEU 109 N 14.88 -1.23 -1.00 3.21 5.85 -1.96 0.40 115.31 135.47 2yrn h LEU 109 Ca -0.32 0.17 0.35 0.00 0.84 0.00 0.00 57.88 58.92 2yrn h LEU 109 Cb 1.18 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.63 2yrn h LEU 109 CO 1.08 -0.19 0.64 0.29 -0.34 0.00 0.00 178.44 179.92 2yrn n LYS 110 N -4.34 -0.03 0.00 1.25 4.76 -1.26 -0.66 118.16 117.88 2yrn n LYS 110 Ca -0.00 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 2yrn n LYS 110 Cb 0.18 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2yrn n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yrn n ALA 111 N -2.55 -0.04 -0.33 7.82 0.00 0.13 -3.03 120.51 122.52 2yrn n ALA 111 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.75 2yrn n ALA 111 Cb 1.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.66 2yrn n ALA 111 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yrn n ILE 112 N -1.58 -0.43 -0.19 0.00 -0.00 -0.41 0.10 119.36 116.86 2yrn n ILE 112 Ca 0.00 2.07 -0.00 0.00 -0.00 0.00 0.00 62.75 64.81 2yrn n ILE 112 Cb 0.00 -2.79 0.10 0.00 -0.00 0.00 0.00 39.64 36.95 2yrn n ILE 112 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2yrn h LEU 113 N 0.00 0.02 -1.43 1.39 3.38 -1.06 -0.36 115.31 117.25 2yrn h LEU 113 Ca 0.36 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.50 2yrn h LEU 113 Cb 0.59 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2yrn h LEU 113 CO -0.90 0.03 0.44 1.23 0.09 0.00 0.00 178.44 179.33 2yrn h GLY 114 N 0.26 0.87 0.69 0.83 0.00 0.74 0.95 103.07 107.41 2yrn h GLY 114 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2yrn h GLY 114 CO -0.37 0.21 -0.24 -2.00 0.00 0.00 0.00 176.54 174.14 2yrn h LEU 115 N 0.69 -0.57 -1.03 3.11 6.46 -0.35 -2.60 115.31 121.03 2yrn h LEU 115 Ca 0.29 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2yrn h LEU 115 Cb 0.26 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2yrn h LEU 115 CO -0.09 -0.20 0.00 0.49 -0.62 0.00 0.00 178.44 178.02 2yrn n PHE 116 N -5.26 0.79 0.08 1.25 3.72 -0.82 -0.90 117.46 116.32 2yrn n PHE 116 Ca -0.11 0.35 -0.09 0.00 -0.05 0.00 0.00 57.45 57.55 2yrn n PHE 116 Cb 0.31 -1.06 -0.08 0.00 -0.94 0.00 0.00 39.48 37.71 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 0.19 0.06 1.38 3.04 -0.61 -3.21 116.94 117.80 2yrn h PHE 117 Ca 0.00 -0.13 -0.36 0.00 3.98 0.00 0.00 57.97 61.46 2yrn h PHE 117 Cb 0.21 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 2yrn h PHE 117 CO 0.00 1.04 -2.08 -1.13 -2.02 0.00 0.00 178.31 174.12 2yrn n SER 118 N -3.50 2.03 0.02 0.41 3.41 -0.75 -4.26 113.62 110.98 2yrn n SER 118 Ca -0.03 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 2yrn n SER 118 Cb 0.91 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.21 -1.58 -0.98 1.04 5.85 -1.16 -0.55 115.31 117.72 2yrn h LEU 119 Ca -0.48 0.19 0.32 0.00 0.84 0.00 0.00 57.88 58.74 2yrn h LEU 119 Cb 1.85 0.61 -0.15 0.00 0.37 0.00 0.00 40.66 43.35 2yrn h LEU 119 CO -0.05 -0.49 0.50 -1.28 -0.34 0.00 0.00 178.44 176.79 2yrn h SER 120 N -0.60 0.40 -0.20 1.25 0.87 -1.78 0.90 113.55 114.40 2yrn h SER 120 Ca 0.04 0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 2yrn h SER 120 Cb 0.69 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 2yrn h SER 120 CO -0.39 -0.17 -0.30 0.03 -0.53 0.00 0.00 176.83 175.46 2yrn h ARG 121 N 0.27 -0.33 -0.97 2.24 3.08 -1.28 -0.29 114.38 117.11 2yrn h ARG 121 Ca 0.72 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.98 2yrn h ARG 121 Cb 1.64 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 31.58 2yrn h ARG 121 CO -0.64 -0.22 -0.26 -0.92 -1.07 0.00 0.00 179.97 176.86 2yrn h TYR 122 N -0.34 -0.59 0.33 3.04 5.03 -0.71 -0.53 116.97 123.20 2yrn h TYR 122 Ca 0.12 0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 2yrn h TYR 122 Cb 0.52 0.41 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2yrn h TYR 122 CO -0.42 -0.42 -0.16 -0.22 -1.32 0.00 0.00 178.16 175.63 2yrn h LYS 123 N -0.00 -0.43 -6.56 1.82 1.63 -1.37 -3.44 116.57 108.21 2yrn h LYS 123 Ca 0.45 0.03 -0.59 0.00 -0.85 0.00 0.00 60.65 59.69 2yrn h LYS 123 Cb 0.69 0.10 0.15 0.00 -0.60 0.00 0.00 32.23 32.57 2yrn h LYS 123 CO -1.00 -0.10 -0.11 1.04 -3.45 0.00 0.00 179.45 175.83 2yrn n GLN 124 N -5.13 0.89 -2.63 1.90 1.13 -0.20 -2.53 117.38 110.80 2yrn n GLN 124 Ca -0.09 0.33 -0.11 0.00 -1.94 0.00 0.00 57.00 55.18 2yrn n GLN 124 Cb 0.27 -1.85 0.02 0.00 0.11 0.00 0.00 30.24 28.79 2yrn n GLN 124 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2yrn n GLN 125 N 0.02 -2.45 -3.60 -1.09 7.27 -1.26 -4.88 117.38 111.38 2yrn n GLN 125 Ca 0.11 0.46 -0.40 0.00 0.07 0.00 0.00 57.00 57.25 2yrn n GLN 125 Cb 0.42 -4.40 -0.07 0.00 2.41 0.00 0.00 30.24 28.60 2yrn n GLN 125 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2yrn s GLN 126 N -5.10 2.88 -0.21 3.69 -1.52 -1.05 -5.03 119.66 113.32 2yrn s GLN 126 Ca 0.15 -2.51 0.01 0.00 -1.95 0.00 0.00 55.36 51.05 2yrn s GLN 126 Cb -0.07 -3.94 0.05 0.00 -0.22 0.00 0.00 33.01 28.83 2yrn s GLN 126 CO 0.18 -1.21 -0.08 -0.65 -0.25 0.00 0.00 175.29 173.28 2yrn s GLN 127 N 0.00 1.84 0.01 2.91 -0.21 -1.26 -5.12 119.66 117.84 2yrn s GLN 127 Ca 0.17 -0.86 0.08 0.00 0.02 0.00 0.00 55.36 54.77 2yrn s GLN 127 Cb -0.17 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 2yrn s GLN 127 CO -0.05 -0.48 -0.24 1.14 -2.12 0.00 0.00 175.29 173.54 2yrn s GLN 128 N 1.42 2.01 0.00 2.91 0.00 -1.26 -5.30 119.66 119.44 2yrn s GLN 128 Ca -0.03 -0.99 0.16 0.00 -0.00 0.00 0.00 55.36 54.50 2yrn s GLN 128 Cb -0.17 -2.07 0.93 0.00 0.00 0.00 0.00 33.01 31.71 2yrn s GLN 128 CO -0.07 0.54 1.34 -0.35 0.00 0.00 0.00 175.29 176.75