#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n LYS 8 N 0.00 0.00 -0.24 5.55 4.76 -1.26 -4.65 118.16 122.32 2wrn n LYS 8 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2wrn n LYS 8 Cb 0.00 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.27 2wrn n LYS 8 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2wrn h GLU 9 N 0.00 0.77 -0.90 1.97 9.09 -1.98 -1.22 114.58 122.31 2wrn h GLU 9 Ca 0.00 -0.05 0.24 0.00 0.05 0.00 0.00 59.36 59.60 2wrn h GLU 9 Cb 0.00 -0.17 -0.05 0.00 -1.65 0.00 0.00 28.75 26.88 2wrn h GLU 9 CO 0.00 0.51 0.62 -0.07 0.05 0.00 0.00 179.01 180.12 2wrn h LEU 10 N 0.79 0.17 0.35 3.06 3.38 -1.99 0.50 115.31 121.58 2wrn h LEU 10 Ca 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2wrn h LEU 10 Cb 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wrn h LEU 10 CO -0.13 0.06 -0.17 -0.07 0.09 0.00 0.00 178.44 178.22 2wrn h LEU 11 N 0.17 -0.40 -1.32 1.67 3.38 -1.50 -2.95 115.31 114.37 2wrn h LEU 11 Ca 0.45 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.61 2wrn h LEU 11 Cb 1.50 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 2wrn h LEU 11 CO -0.09 -0.09 0.86 -0.33 0.09 0.00 0.00 178.44 178.88 2wrn h GLU 12 N -0.86 0.00 0.74 1.13 5.08 -0.68 2.44 114.58 122.44 2wrn h GLU 12 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2wrn h GLU 12 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2wrn h GLU 12 CO 0.08 0.00 -0.36 0.00 -1.00 0.00 0.00 179.01 177.73 2wrn h ALA 13 N 0.85 -1.19 0.00 3.43 0.00 0.10 -2.59 119.26 119.87 2wrn h ALA 13 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wrn h ALA 13 Cb 2.01 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2wrn h ALA 13 CO -0.00 -1.12 0.00 0.41 0.00 0.00 0.00 179.25 178.54 2wrn n GLY 14 N -1.27 0.00 0.00 0.00 0.00 0.82 -3.78 105.19 100.96 2wrn n GLY 14 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wrn n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wrn n VAL 15 N -2.14 0.00 -2.61 1.61 0.24 -1.25 -5.09 118.33 109.09 2wrn n VAL 15 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2wrn n VAL 15 Cb 0.00 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.42 2wrn n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wrn n HIS 16 N 0.00 1.06 -4.23 6.34 -0.00 -0.97 -4.28 115.22 113.13 2wrn n HIS 16 Ca 0.00 -1.72 -0.17 0.00 -0.00 0.00 0.00 57.72 55.83 2wrn n HIS 16 Cb 0.00 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.99 29.66 2wrn n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2wrn s PHE 17 N -2.83 1.34 0.20 4.41 -0.00 -1.25 -4.46 117.98 115.37 2wrn s PHE 17 Ca 0.32 -0.58 0.00 0.00 -0.00 0.00 0.00 56.93 56.67 2wrn s PHE 17 Cb 0.35 -0.70 0.00 0.00 -0.00 0.00 0.00 43.02 42.67 2wrn s PHE 17 CO -0.06 0.12 0.00 0.41 -0.00 0.00 0.00 175.22 175.69 2wrn n GLY 18 N 0.49 -1.05 0.00 1.99 0.00 -1.26 -4.75 105.19 100.61 2wrn n GLY 18 Ca -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2wrn n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrn n HIS 19 N -2.94 0.00 -0.71 1.61 -0.00 -1.22 -4.22 115.22 107.73 2wrn n HIS 19 Ca -0.02 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.94 2wrn n HIS 19 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 2wrn n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wrn n GLU 20 N 0.00 0.00 -3.66 1.57 -0.58 -1.26 -4.44 120.64 112.27 2wrn n GLU 20 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2wrn n GLU 20 Cb 0.00 -0.57 -0.17 0.00 -0.57 0.00 0.00 31.44 30.14 2wrn n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2wrn s ARG 21 N -0.57 -0.01 0.00 3.49 1.70 -1.26 -4.09 118.95 118.22 2wrn s ARG 21 Ca 0.32 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 2wrn s ARG 21 Cb -0.29 -0.48 0.00 0.00 -0.57 0.00 0.00 34.95 33.61 2wrn s ARG 21 CO 0.37 -0.35 0.00 1.63 -1.08 0.00 0.00 175.30 175.88 2wrn n LYS 22 N 5.31 0.00 -0.48 3.89 4.76 -1.26 -4.70 118.16 125.69 2wrn n LYS 22 Ca -0.04 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.50 2wrn n LYS 22 Cb 0.50 -2.15 0.33 0.00 -1.84 0.00 0.00 35.03 31.87 2wrn n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wrn n ARG 23 N -2.00 3.23 0.00 1.97 3.00 -1.26 -4.96 116.66 116.64 2wrn n ARG 23 Ca 0.00 -2.74 0.00 0.00 -0.00 0.00 0.00 57.85 55.11 2wrn n ARG 23 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 30.75 2wrn n ARG 23 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2wrn n TRP 24 N 1.28 -0.96 -3.28 -0.14 4.27 -1.24 -4.65 117.44 112.72 2wrn n TRP 24 Ca 0.24 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.78 2wrn n TRP 24 Cb 0.74 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.65 2wrn n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2wrn s ASN 25 N -1.97 -0.19 0.09 -0.67 3.84 -1.24 -4.72 114.94 110.07 2wrn s ASN 25 Ca 0.00 -0.96 0.06 0.00 0.21 0.00 0.00 52.86 52.18 2wrn s ASN 25 Cb 0.00 1.29 0.30 0.00 -0.55 0.00 0.00 41.25 42.29 2wrn s ASN 25 CO 0.00 -0.24 0.32 -0.81 -2.79 0.00 0.00 177.10 173.58 2wrn n PRO 26 N 4.57 -0.01 -0.24 0.43 -0.04 -1.26 -0.81 135.00 137.65 2wrn n PRO 26 Ca 0.09 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2wrn n PRO 26 Cb 0.51 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wrn n PRO 26 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wrn n LYS 27 N -3.11 0.57 -0.35 0.54 5.02 -1.26 -1.96 118.16 117.61 2wrn n LYS 27 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wrn n LYS 27 Cb 0.31 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2wrn n LYS 27 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wrn n PHE 28 N 1.55 0.00 -0.04 2.13 -0.00 0.01 -4.24 117.46 116.86 2wrn n PHE 28 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 2wrn n PHE 28 Cb 0.28 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.48 39.70 2wrn n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wrn h ALA 29 N 0.00 0.23 -0.61 3.13 0.00 -1.64 -2.86 119.26 117.50 2wrn h ALA 29 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2wrn h ALA 29 Cb 1.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2wrn h ALA 29 CO 0.00 -0.21 0.42 0.07 0.00 0.00 0.00 179.25 179.53 2wrn h ARG 30 N 0.16 0.21 -0.64 0.00 0.11 -1.89 -0.12 114.38 112.20 2wrn h ARG 30 Ca 0.06 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2wrn h ARG 30 Cb 0.11 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2wrn h ARG 30 CO -0.01 0.14 0.00 0.66 0.10 0.00 0.00 179.97 180.86 2wrn n TYR 31 N -4.43 1.23 -4.50 4.08 0.53 -1.09 -4.92 117.16 108.06 2wrn n TYR 31 Ca 0.11 -0.51 -0.26 0.00 -1.02 0.00 0.00 57.90 56.22 2wrn n TYR 31 Cb 0.54 -0.18 -0.10 0.00 -1.03 0.00 0.00 39.34 38.57 2wrn n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 2wrn s ILE 32 N -1.68 2.21 0.00 -0.72 2.07 -0.06 -3.51 121.20 119.51 2wrn s ILE 32 Ca 0.45 -2.02 0.00 0.00 -1.41 0.00 0.00 60.65 57.66 2wrn s ILE 32 Cb 0.28 -2.86 0.00 0.00 0.13 0.00 0.00 42.46 40.01 2wrn s ILE 32 CO 0.23 -0.09 0.00 0.00 -1.91 0.00 0.00 174.94 173.17 2wrn n TYR 33 N -0.94 0.00 -3.55 3.50 9.36 -1.20 -4.64 117.16 119.69 2wrn n TYR 33 Ca -0.04 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.10 2wrn n TYR 33 Cb 0.65 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.33 2wrn n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wrn s ALA 34 N -1.00 -1.92 -0.89 2.98 0.00 -1.15 -5.03 121.76 114.75 2wrn s ALA 34 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2wrn s ALA 34 Cb 0.00 -0.11 0.23 0.00 0.00 0.00 0.00 23.12 23.23 2wrn s ALA 34 CO 0.00 -0.54 0.82 -1.91 0.00 0.00 0.00 175.76 174.13 2wrn n GLU 35 N 0.11 2.71 -2.67 0.00 2.13 -1.25 0.12 120.64 121.80 2wrn n GLU 35 Ca -0.07 -4.50 -0.27 0.00 0.66 0.00 0.00 57.16 52.98 2wrn n GLU 35 Cb 0.60 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2wrn n GLU 35 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2wrn s ARG 36 N -1.56 3.41 0.00 5.31 6.06 -0.85 -3.74 118.95 127.58 2wrn s ARG 36 Ca 0.29 0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 2wrn s ARG 36 Cb -0.05 -2.39 0.00 0.00 0.06 0.00 0.00 34.95 32.58 2wrn s ARG 36 CO -0.11 -0.27 0.00 -1.71 -2.50 0.00 0.00 175.30 170.72 2wrn n ASN 37 N -2.27 0.00 0.00 -2.12 2.85 -1.26 0.45 115.26 112.91 2wrn n ASN 37 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 2wrn n ASN 37 Cb 0.56 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.64 2wrn n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wrn n GLY 38 N -1.43 1.22 3.59 8.20 0.00 -1.25 -5.10 105.19 110.42 2wrn n GLY 38 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2wrn n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrn s ILE 39 N -2.00 2.03 -0.25 -0.61 1.01 0.17 -4.96 121.20 116.59 2wrn s ILE 39 Ca 0.00 -2.05 -0.24 0.00 0.00 0.00 0.00 60.65 58.35 2wrn s ILE 39 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2wrn s ILE 39 CO 0.00 -0.05 0.81 -1.00 0.00 0.00 0.00 174.94 174.70 2wrn s HIS 40 N -2.71 3.30 -0.44 3.97 3.76 -1.26 -2.02 115.29 119.90 2wrn s HIS 40 Ca 0.34 1.10 -0.14 0.00 -0.15 0.00 0.00 55.06 56.21 2wrn s HIS 40 Cb 0.08 -3.05 0.06 0.00 1.11 0.00 0.00 32.58 30.79 2wrn s HIS 40 CO 0.17 -0.41 0.33 0.42 -0.85 0.00 0.00 174.74 174.41 2wrn s ILE 41 N 2.83 4.96 0.82 0.60 1.09 0.33 -3.44 121.20 128.38 2wrn s ILE 41 Ca 0.34 -1.05 -0.14 0.00 -1.10 0.00 0.00 60.65 58.70 2wrn s ILE 41 Cb -0.15 -3.93 0.05 0.00 -1.06 0.00 0.00 42.46 37.37 2wrn s ILE 41 CO 0.08 -0.49 0.92 0.00 -0.10 0.00 0.00 174.94 175.35 2wrn n ILE 42 N 5.12 1.53 -3.16 2.92 3.06 -1.26 -2.95 119.36 124.61 2wrn n ILE 42 Ca -0.12 -0.23 -0.45 0.00 -2.50 0.00 0.00 62.75 59.45 2wrn n ILE 42 Cb 0.44 -0.99 -0.04 0.00 0.54 0.00 0.00 39.64 39.59 2wrn n ILE 42 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2wrn s ASP 43 N -1.99 6.38 0.46 9.51 2.15 -1.23 -4.60 116.67 127.35 2wrn s ASP 43 Ca 0.69 -1.85 0.20 0.00 0.43 0.00 0.00 52.55 52.01 2wrn s ASP 43 Cb -0.29 -2.28 1.18 0.00 -0.30 0.00 0.00 42.92 41.23 2wrn s ASP 43 CO 0.56 -0.96 1.92 -0.07 -0.17 0.00 0.00 175.17 176.45 2wrn h LEU 44 N 9.42 0.26 0.00 -1.34 4.07 -1.91 -2.94 115.31 122.87 2wrn h LEU 44 Ca -0.14 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.84 2wrn h LEU 44 Cb 1.07 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2wrn h LEU 44 CO 1.02 0.13 0.00 1.67 -1.08 0.00 0.00 178.44 180.18 2wrn n GLN 45 N -4.44 0.00 -0.51 1.13 7.27 -1.26 -1.94 117.38 117.64 2wrn n GLN 45 Ca 0.15 0.19 0.42 0.00 0.07 0.00 0.00 57.00 57.83 2wrn n GLN 45 Cb 0.62 -0.83 0.74 0.00 2.41 0.00 0.00 30.24 33.18 2wrn n GLN 45 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2wrn h LYS 46 N 0.00 0.05 -0.88 3.69 1.57 -1.97 0.48 116.57 119.51 2wrn h LYS 46 Ca 0.00 -0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 2wrn h LYS 46 Cb 0.00 -0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.14 2wrn h LYS 46 CO 0.00 0.03 0.04 1.15 -0.57 0.00 0.00 179.45 180.10 2wrn h THR 47 N 0.05 0.20 -0.08 -0.16 2.02 -1.20 0.16 112.91 113.89 2wrn h THR 47 Ca 0.78 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.95 2wrn h THR 47 Cb 2.89 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 2wrn h THR 47 CO -0.13 0.01 -0.37 -0.03 0.37 0.00 0.00 175.52 175.37 2wrn h MET 48 N 0.08 -0.39 0.00 6.66 1.85 0.11 1.24 114.93 124.49 2wrn h MET 48 Ca 0.51 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.63 2wrn h MET 48 Cb 0.99 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2wrn h MET 48 CO -0.78 -0.26 0.61 0.93 -0.40 0.00 0.00 176.91 177.01 2wrn h GLU 49 N -0.40 0.00 0.00 0.39 5.08 -0.84 1.74 114.58 120.55 2wrn h GLU 49 Ca 0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.00 2wrn h GLU 49 Cb 0.46 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 2wrn h GLU 49 CO -0.28 0.00 -2.43 0.39 -1.00 0.00 0.00 179.01 175.69 2wrn n GLU 50 N -2.51 0.67 0.21 2.33 -0.58 0.39 -3.67 120.64 117.48 2wrn n GLU 50 Ca -0.01 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.73 2wrn n GLU 50 Cb 0.63 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.93 2wrn n GLU 50 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2wrn h LEU 51 N 0.00 -0.49 0.00 -4.62 3.38 1.16 -1.59 115.31 113.15 2wrn h LEU 51 Ca -0.56 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2wrn h LEU 51 Cb 2.05 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.93 2wrn h LEU 51 CO -0.04 -0.33 0.00 1.21 0.09 0.00 0.00 178.44 179.37 2wrn n GLU 52 N -3.51 0.00 -0.25 1.13 0.00 0.17 -0.02 120.64 118.16 2wrn n GLU 52 Ca -0.07 0.95 0.24 0.00 0.00 0.00 0.00 57.16 58.28 2wrn n GLU 52 Cb 0.22 -1.44 0.43 0.00 0.00 0.00 0.00 31.44 30.64 2wrn n GLU 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wrn n ARG 53 N -2.88 -0.04 0.13 5.31 0.63 -1.18 -0.74 116.66 117.89 2wrn n ARG 53 Ca 0.00 0.94 -0.08 0.00 -0.92 0.00 0.00 57.85 57.79 2wrn n ARG 53 Cb 0.00 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.14 2wrn n ARG 53 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wrn h THR 54 N 0.00 0.15 -0.83 5.15 2.02 0.60 -3.07 112.91 116.93 2wrn h THR 54 Ca 0.60 -0.75 0.19 0.00 0.77 0.00 0.00 66.41 67.22 2wrn h THR 54 Cb 1.68 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 2wrn h THR 54 CO -0.48 0.04 0.56 -0.26 0.37 0.00 0.00 175.52 175.75 2wrn h PHE 55 N -1.08 0.38 -0.87 3.16 0.04 -0.32 1.53 116.94 119.78 2wrn h PHE 55 Ca -0.04 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2wrn h PHE 55 Cb 0.39 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 2wrn h PHE 55 CO 0.02 0.11 0.58 0.00 -0.60 0.00 0.00 178.31 178.42 2wrn h ARG 56 N 0.30 1.15 -0.03 1.51 3.08 -1.34 1.00 114.38 120.04 2wrn h ARG 56 Ca 0.42 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 2wrn h ARG 56 Cb 1.17 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2wrn h ARG 56 CO -0.12 0.76 -0.22 0.35 -1.07 0.00 0.00 179.97 179.67 2wrn h PHE 57 N 1.18 0.28 0.83 3.04 3.57 0.19 -2.33 116.94 123.70 2wrn h PHE 57 Ca 0.32 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2wrn h PHE 57 Cb -0.13 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.57 2wrn h PHE 57 CO -0.00 0.87 -0.40 0.82 -2.23 0.00 0.00 178.31 177.37 2wrn h ILE 58 N -0.40 0.15 -0.77 1.41 2.04 0.67 0.28 117.51 120.90 2wrn h ILE 58 Ca -0.02 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2wrn h ILE 58 Cb 0.91 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 2wrn h ILE 58 CO 0.04 0.00 -0.45 1.21 0.00 0.00 0.00 178.15 178.95 2wrn n GLU 59 N -5.56 -0.34 -0.21 2.37 2.13 0.34 0.17 120.64 119.55 2wrn n GLU 59 Ca -0.15 1.37 -0.02 0.00 0.66 0.00 0.00 57.16 59.02 2wrn n GLU 59 Cb 0.45 -2.02 0.05 0.00 0.27 0.00 0.00 31.44 30.19 2wrn n GLU 59 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2wrn h ASP 60 N 0.00 -0.76 -0.11 4.31 -0.00 -1.13 1.48 116.42 120.21 2wrn h ASP 60 Ca 0.12 0.20 0.03 0.00 -0.00 0.00 0.00 57.03 57.39 2wrn h ASP 60 Cb 0.32 0.45 -0.00 0.00 -0.00 0.00 0.00 39.33 40.09 2wrn h ASP 60 CO -0.72 -0.24 0.39 0.25 -0.00 0.00 0.00 179.24 178.91 2wrn h LEU 61 N -0.05 0.00 0.03 2.28 5.85 0.55 0.54 115.31 124.50 2wrn h LEU 61 Ca 0.29 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 2wrn h LEU 61 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2wrn h LEU 61 CO -0.66 0.00 -0.42 0.00 -0.34 0.00 0.00 178.44 177.01 2wrn h ALA 62 N 1.33 0.04 0.00 1.25 0.00 0.44 -2.25 119.26 120.06 2wrn h ALA 62 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2wrn h ALA 62 Cb 0.83 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wrn h ALA 62 CO -0.00 0.23 0.00 -0.12 0.00 0.00 0.00 179.25 179.36 2wrn n MET 63 N -4.45 0.01 0.00 0.00 0.00 0.18 -0.72 117.12 112.15 2wrn n MET 63 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.55 2wrn n MET 63 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.77 2wrn n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2wrn n ARG 64 N -0.55 0.22 -2.23 2.12 1.85 -0.90 -5.01 116.66 112.16 2wrn n ARG 64 Ca 0.00 -0.24 -0.10 0.00 -1.00 0.00 0.00 57.85 56.52 2wrn n ARG 64 Cb 0.00 -0.70 -0.00 0.00 -1.05 0.00 0.00 32.46 30.71 2wrn n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrn n GLY 65 N 0.10 -0.02 3.90 2.89 0.00 0.10 -5.01 105.19 107.14 2wrn n GLY 65 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2wrn n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrn s GLY 66 N -2.58 1.55 -0.06 -0.02 0.00 -0.85 -5.07 107.32 100.28 2wrn s GLY 66 Ca 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.36 2wrn s GLY 66 CO 0.02 -0.19 -0.12 -0.51 0.00 0.00 0.00 173.10 172.29 2wrn s THR 67 N -2.88 3.22 -0.07 0.90 -4.23 -1.26 -4.83 115.64 106.50 2wrn s THR 67 Ca 0.50 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 2wrn s THR 67 Cb -0.10 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 2wrn s THR 67 CO 0.48 0.59 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.35 2wrn s ILE 68 N -0.65 2.82 -0.43 2.99 1.01 -1.26 -1.36 121.20 124.31 2wrn s ILE 68 Ca 0.10 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 2wrn s ILE 68 Cb -0.11 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.28 2wrn s ILE 68 CO 0.01 0.57 0.47 -0.22 0.00 0.00 0.00 174.94 175.77 2wrn s LEU 69 N -0.40 4.88 0.03 2.97 1.98 -1.23 -4.08 118.68 122.82 2wrn s LEU 69 Ca 0.04 -0.70 -0.24 0.00 -2.89 0.00 0.00 54.13 50.34 2wrn s LEU 69 Cb -0.12 -2.41 -0.05 0.00 0.66 0.00 0.00 46.19 44.27 2wrn s LEU 69 CO 0.02 -0.63 0.74 -0.36 -1.89 0.00 0.00 176.35 174.23 2wrn s PHE 70 N 2.21 3.71 -0.00 5.38 0.40 -1.05 0.10 117.98 128.73 2wrn s PHE 70 Ca 0.13 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.88 2wrn s PHE 70 Cb -0.17 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.57 2wrn s PHE 70 CO 0.14 0.26 -0.02 0.08 0.70 0.00 0.00 175.22 176.38 2wrn s VAL 71 N 0.01 0.20 0.00 -0.44 1.01 0.39 -3.69 120.40 117.89 2wrn s VAL 71 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2wrn s VAL 71 Cb -0.20 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2wrn s VAL 71 CO 0.22 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2wrn n GLY 72 N 3.14 1.08 0.00 4.51 0.00 -1.21 -2.31 105.19 110.40 2wrn n GLY 72 Ca -0.14 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wrn n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wrn n THR 73 N -0.01 0.00 -1.34 2.61 -2.24 -1.26 -3.91 114.28 108.13 2wrn n THR 73 Ca 0.00 0.00 -0.59 0.00 -2.27 0.00 0.00 64.05 61.19 2wrn n THR 73 Cb 0.00 -0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 67.66 2wrn n THR 73 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wrn n LYS 74 N -1.90 0.21 -0.26 -0.78 2.85 -1.26 -4.67 118.16 112.34 2wrn n LYS 74 Ca 0.00 0.06 0.18 0.00 -1.05 0.00 0.00 58.31 57.50 2wrn n LYS 74 Cb 0.33 -1.67 0.33 0.00 -0.65 0.00 0.00 35.03 33.38 2wrn n LYS 74 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2wrn n LYS 75 N 7.23 -0.06 0.00 -1.58 0.00 -1.26 -2.16 118.16 120.33 2wrn n LYS 75 Ca 0.50 1.13 0.00 0.00 0.00 0.00 0.00 58.31 59.94 2wrn n LYS 75 Cb 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.13 2wrn n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2wrn n GLN 76 N -4.96 0.00 0.00 1.64 6.02 -1.26 -2.28 117.38 116.54 2wrn n GLN 76 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2wrn n GLN 76 Cb 0.79 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 31.04 2wrn n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrn n ALA 77 N 0.55 0.00 -1.00 -1.58 0.00 -0.92 -4.27 120.51 113.28 2wrn n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrn n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrn n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrn n GLN 78 N 0.00 0.00 -0.38 0.00 6.02 -0.97 -4.08 117.38 117.98 2wrn n GLN 78 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 57.00 57.29 2wrn n GLN 78 Cb 0.00 -0.45 0.56 0.00 1.02 0.00 0.00 30.24 31.38 2wrn n GLN 78 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2wrn h ASP 79 N 0.00 0.37 -0.48 1.08 3.32 -1.96 1.25 116.42 120.00 2wrn h ASP 79 Ca 0.00 0.16 0.14 0.00 0.02 0.00 0.00 57.03 57.35 2wrn h ASP 79 Cb 0.00 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2wrn h ASP 79 CO 0.00 -0.16 0.76 0.40 -1.72 0.00 0.00 179.24 178.52 2wrn h ILE 80 N 0.20 0.13 0.04 0.35 5.03 -1.95 0.96 117.51 122.26 2wrn h ILE 80 Ca 0.76 0.00 -0.30 0.00 -0.12 0.00 0.00 64.86 65.20 2wrn h ILE 80 Cb 2.08 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 36.18 2wrn h ILE 80 CO -0.51 0.00 -1.68 0.52 -0.68 0.00 0.00 178.15 175.80 2wrn n VAL 81 N -3.23 1.62 0.00 1.67 0.31 0.43 -3.92 118.33 115.21 2wrn n VAL 81 Ca 0.10 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2wrn n VAL 81 Cb 0.93 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 2wrn n VAL 81 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrn n ARG 82 N -4.05 0.00 0.00 5.55 1.74 0.32 0.32 116.66 120.55 2wrn n ARG 82 Ca -0.35 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2wrn n ARG 82 Cb 0.84 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 2wrn n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2wrn n MET 83 N -2.23 0.00 0.00 5.56 2.81 -0.63 0.27 117.12 122.90 2wrn n MET 83 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2wrn n MET 83 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 2wrn n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2wrn n GLU 84 N -0.78 0.00 -0.09 0.03 -0.58 -1.06 0.14 120.64 118.31 2wrn n GLU 84 Ca 0.00 0.14 -0.17 0.00 -0.42 0.00 0.00 57.16 56.71 2wrn n GLU 84 Cb 0.00 -1.63 -0.06 0.00 -0.57 0.00 0.00 31.44 29.19 2wrn n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrn n ALA 85 N -1.03 1.52 0.19 0.62 0.00 0.18 -4.37 120.51 117.63 2wrn n ALA 85 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 2wrn n ALA 85 Cb 0.13 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 2wrn n ALA 85 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wrn h GLU 86 N -0.77 -0.43 -2.44 0.00 5.08 0.56 0.91 114.58 117.49 2wrn h GLU 86 Ca -0.34 0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 2wrn h GLU 86 Cb 1.21 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 2wrn h GLU 86 CO -0.21 -0.23 0.15 -2.13 -1.00 0.00 0.00 179.01 175.59 2wrn n ARG 87 N -5.24 1.34 0.00 2.33 0.00 0.38 -0.81 116.66 114.65 2wrn n ARG 87 Ca -0.10 -0.70 0.00 0.00 -0.00 0.00 0.00 57.85 57.05 2wrn n ARG 87 Cb 0.22 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.82 2wrn n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrn n ALA 88 N 2.79 0.00 -1.26 5.13 0.00 -0.79 -4.72 120.51 121.66 2wrn n ALA 88 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2wrn n ALA 88 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wrn n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 89 N -0.82 -0.37 3.49 0.00 0.00 0.31 -4.99 105.19 102.80 2wrn n GLY 89 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2wrn n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wrn s MET 90 N -1.51 0.87 0.44 1.61 -1.94 -1.12 -5.00 119.30 112.65 2wrn s MET 90 Ca 0.00 0.45 -0.25 0.00 -1.71 0.00 0.00 55.69 54.17 2wrn s MET 90 Cb 0.00 0.41 -0.08 0.00 2.01 0.00 0.00 34.83 37.17 2wrn s MET 90 CO 0.00 -0.21 1.42 -2.14 -0.01 0.00 0.00 175.02 174.08 2wrn s PRO 91 N -0.58 3.73 0.00 2.03 0.02 -1.26 -4.66 135.00 134.29 2wrn s PRO 91 Ca -0.07 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2wrn s PRO 91 Cb -0.03 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.81 2wrn s PRO 91 CO 0.05 -0.77 0.00 2.48 -0.33 0.00 0.00 177.00 178.44 2wrn n TYR 92 N -0.13 0.00 0.00 6.54 0.18 -1.26 -2.52 117.16 119.96 2wrn n TYR 92 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 2wrn n TYR 92 Cb 0.42 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 2wrn n TYR 92 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2wrn n VAL 93 N 0.00 0.00 -0.22 -3.48 3.14 -1.24 -1.84 118.33 114.69 2wrn n VAL 93 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wrn n VAL 93 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wrn n VAL 93 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2wrn n ASN 94 N 0.00 0.33 -0.55 6.55 0.23 -1.25 -3.35 115.26 117.21 2wrn n ASN 94 Ca 0.00 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.37 2wrn n ASN 94 Cb 0.00 0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 2wrn n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wrn n GLN 95 N -0.27 3.76 -0.89 -3.83 1.13 -1.26 -4.49 117.38 111.53 2wrn n GLN 95 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 2wrn n GLN 95 Cb 0.06 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.29 2wrn n GLN 95 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2wrn n ARG 96 N 0.00 1.99 0.00 -1.09 3.00 -1.26 -4.78 116.66 114.52 2wrn n ARG 96 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.85 56.76 2wrn n ARG 96 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 32.46 30.37 2wrn n ARG 96 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2wrn n TRP 97 N 2.87 0.00 -0.74 -1.55 -0.00 -1.26 -4.74 117.44 112.02 2wrn n TRP 97 Ca 0.43 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.77 2wrn n TRP 97 Cb 0.63 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 32.00 2wrn n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wrn n LEU 98 N 0.00 -2.07 -4.20 5.87 4.77 -1.26 -4.92 117.00 115.19 2wrn n LEU 98 Ca 0.00 -0.12 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 2wrn n LEU 98 Cb 0.00 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 2wrn n LEU 98 CO 0.00 -2.53 -0.01 -0.83 -1.33 0.00 0.00 177.39 172.69 2wrn s GLY 99 N -1.32 2.10 0.00 -0.72 0.00 -1.26 -4.46 107.32 101.65 2wrn s GLY 99 Ca 0.22 -2.63 0.00 0.00 0.00 0.00 0.00 44.72 42.31 2wrn s GLY 99 CO 0.29 1.11 0.00 0.61 0.00 0.00 0.00 173.10 175.10 2wrn n GLY 100 N 4.72 1.03 0.16 0.20 0.00 -1.26 -4.92 105.19 105.12 2wrn n GLY 100 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wrn n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wrn n MET 101 N -0.12 0.01 0.04 1.61 0.00 -1.26 -0.07 117.12 117.32 2wrn n MET 101 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 57.70 58.15 2wrn n MET 101 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.05 2wrn n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wrn n LEU 102 N -1.67 0.36 0.30 4.03 4.32 -1.26 -4.09 117.00 118.99 2wrn n LEU 102 Ca 0.00 0.11 -0.17 0.00 -0.02 0.00 0.00 56.01 55.94 2wrn n LEU 102 Cb 0.71 -0.06 -0.09 0.00 -1.62 0.00 0.00 43.42 42.37 2wrn n LEU 102 CO 0.00 -0.44 0.68 0.71 -1.22 0.00 0.00 177.39 177.12 2wrn h THR 103 N 0.00 0.47 -0.55 -5.08 1.35 -1.72 -2.18 112.91 105.20 2wrn h THR 103 Ca 0.00 -0.04 -0.14 0.00 -0.55 0.00 0.00 66.41 65.68 2wrn h THR 103 Cb 0.38 0.49 -0.08 0.00 -1.73 0.00 0.00 68.15 67.21 2wrn h THR 103 CO 0.00 0.01 0.17 -3.20 -0.25 0.00 0.00 175.52 172.25 2wrn n ASN 104 N -5.39 4.25 -0.04 5.36 2.85 0.90 -4.66 115.26 118.53 2wrn n ASN 104 Ca -0.12 -2.89 -0.01 0.00 -0.11 0.00 0.00 54.58 51.45 2wrn n ASN 104 Cb 0.30 -0.68 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 2wrn n ASN 104 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2wrn n PHE 105 N 0.05 -0.04 -0.11 1.20 7.35 -0.03 -0.61 117.46 125.28 2wrn n PHE 105 Ca 0.30 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 57.06 2wrn n PHE 105 Cb 1.12 -0.31 -0.03 0.00 0.35 0.00 0.00 39.48 40.61 2wrn n PHE 105 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2wrn n LYS 106 N -2.87 -0.11 0.29 -4.13 2.85 -1.26 -0.25 118.16 112.67 2wrn n LYS 106 Ca 0.00 0.57 -0.16 0.00 -1.05 0.00 0.00 58.31 57.68 2wrn n LYS 106 Cb 0.02 -0.85 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 2wrn n LYS 106 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wrn h THR 107 N 0.00 0.00 -0.99 0.58 2.02 -1.24 -2.36 112.91 110.92 2wrn h THR 107 Ca 0.04 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.59 2wrn h THR 107 Cb 0.11 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.34 2wrn h THR 107 CO -0.24 0.00 0.37 -0.38 0.37 0.00 0.00 175.52 175.63 2wrn n ILE 108 N -4.97 -0.41 0.22 3.11 2.08 0.65 0.88 119.36 120.92 2wrn n ILE 108 Ca -0.11 2.06 0.06 0.00 0.56 0.00 0.00 62.75 65.33 2wrn n ILE 108 Cb 0.40 -3.23 0.51 0.00 -0.75 0.00 0.00 39.64 36.56 2wrn n ILE 108 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wrn h SER 109 N 0.00 0.00 -0.86 4.38 0.02 -0.31 -3.04 113.55 113.74 2wrn h SER 109 Ca 0.76 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.83 2wrn h SER 109 Cb 1.90 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 64.31 2wrn h SER 109 CO -0.82 0.23 -0.39 0.00 -1.14 0.00 0.00 176.83 174.72 2wrn n GLN 110 N -4.06 -0.26 -0.31 3.45 6.02 0.25 0.41 117.38 122.89 2wrn n GLN 110 Ca -0.02 1.31 0.18 0.00 -0.01 0.00 0.00 57.00 58.46 2wrn n GLN 110 Cb 0.30 -1.94 0.36 0.00 1.02 0.00 0.00 30.24 29.98 2wrn n GLN 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrn h ARG 111 N 0.00 0.19 -0.05 -1.09 2.47 -1.69 -0.77 114.38 113.44 2wrn h ARG 111 Ca 0.25 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.96 2wrn h ARG 111 Cb 0.46 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2wrn h ARG 111 CO -0.84 0.13 -0.13 0.28 0.56 0.00 0.00 179.97 179.97 2wrn h VAL 112 N 0.20 0.00 -0.93 2.04 2.07 -0.24 1.75 116.25 121.14 2wrn h VAL 112 Ca 0.63 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.45 2wrn h VAL 112 Cb 1.36 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.96 2wrn h VAL 112 CO -0.68 0.00 0.19 1.41 0.02 0.00 0.00 177.57 178.50 2wrn n HIS 113 N -3.26 0.77 0.15 1.57 8.25 -0.33 0.36 115.22 122.74 2wrn n HIS 113 Ca -0.01 1.11 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 2wrn n HIS 113 Cb 0.08 -1.31 0.24 0.00 1.12 0.00 0.00 29.99 30.13 2wrn n HIS 113 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2wrn h ARG 114 N 0.00 0.00 -0.08 -0.41 9.65 -0.11 -0.86 114.38 122.57 2wrn h ARG 114 Ca 0.64 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.46 2wrn h ARG 114 Cb 1.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 2wrn h ARG 114 CO -0.82 0.53 -0.20 1.25 2.80 0.00 0.00 179.97 183.53 2wrn h LEU 115 N 0.00 0.32 -1.27 3.80 5.85 1.87 -1.88 115.31 124.00 2wrn h LEU 115 Ca -0.01 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.06 2wrn h LEU 115 Cb 0.94 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2wrn h LEU 115 CO 0.07 0.84 -0.32 1.05 -0.34 0.00 0.00 178.44 179.74 2wrn h GLU 116 N -0.19 0.08 0.99 1.25 4.11 -0.97 -2.19 114.58 117.65 2wrn h GLU 116 Ca -0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 2wrn h GLU 116 Cb 0.80 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2wrn h GLU 116 CO 0.04 0.39 -0.47 0.93 0.07 0.00 0.00 179.01 179.97 2wrn h GLU 117 N 0.07 -1.28 0.00 1.06 5.08 -1.04 -1.02 114.58 117.45 2wrn h GLU 117 Ca 0.01 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wrn h GLU 117 Cb 0.60 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2wrn h GLU 117 CO 0.04 -0.85 0.09 -0.07 -1.00 0.00 0.00 179.01 177.22 2wrn h LEU 118 N -1.34 0.00 -1.24 1.33 3.38 -1.24 0.44 115.31 116.64 2wrn h LEU 118 Ca -0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2wrn h LEU 118 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2wrn h LEU 118 CO 0.22 0.00 -0.38 -0.08 0.09 0.00 0.00 178.44 178.30 2wrn h GLU 119 N 0.00 0.00 0.72 1.13 4.57 -0.53 -1.99 114.58 118.48 2wrn h GLU 119 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2wrn h GLU 119 Cb 0.18 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2wrn h GLU 119 CO 0.00 0.38 -0.35 0.00 -1.18 0.00 0.00 179.01 177.86 2wrn h ALA 120 N 1.62 -0.97 -0.96 2.92 0.00 0.18 -2.91 119.26 119.14 2wrn h ALA 120 Ca -0.00 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.85 2wrn h ALA 120 Cb 0.68 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2wrn h ALA 120 CO 0.05 -0.98 0.61 1.25 0.00 0.00 0.00 179.25 180.18 2wrn h LEU 121 N -1.10 0.71 -0.07 0.00 6.46 -1.53 -2.49 115.31 117.30 2wrn h LEU 121 Ca -0.10 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2wrn h LEU 121 Cb 0.77 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2wrn h LEU 121 CO 0.16 0.31 -0.04 0.33 -0.62 0.00 0.00 178.44 178.58 2wrn n PHE 122 N -4.64 -0.03 -3.31 1.25 7.35 -0.77 -1.54 117.46 115.78 2wrn n PHE 122 Ca 0.20 0.08 -0.47 0.00 -0.76 0.00 0.00 57.45 56.51 2wrn n PHE 122 Cb 0.53 -0.40 -0.03 0.00 0.35 0.00 0.00 39.48 39.93 2wrn n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wrn s ALA 123 N -3.91 3.95 -0.03 3.13 0.00 -0.94 -4.97 121.76 118.98 2wrn s ALA 123 Ca -0.01 -3.11 -0.30 0.00 0.00 0.00 0.00 51.96 48.55 2wrn s ALA 123 Cb 0.01 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.76 2wrn s ALA 123 CO 0.04 -2.24 1.02 0.45 0.00 0.00 0.00 175.76 175.03 2wrn s SER 124 N 2.56 -0.25 0.18 0.00 0.15 -0.59 -4.84 113.70 110.92 2wrn s SER 124 Ca 0.15 -0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.99 2wrn s SER 124 Cb -0.15 0.31 0.69 0.00 -1.71 0.00 0.00 66.02 65.16 2wrn s SER 124 CO -0.06 -0.53 1.66 -0.81 1.20 0.00 0.00 173.24 174.70 2wrn n PRO 125 N -0.25 0.27 0.30 5.44 -0.04 -1.26 -3.63 135.00 135.83 2wrn n PRO 125 Ca -0.06 0.18 0.19 0.00 -0.04 0.00 0.00 63.50 63.77 2wrn n PRO 125 Cb 0.61 -1.77 0.97 0.00 -0.04 0.00 0.00 33.50 33.26 2wrn n PRO 125 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wrn h GLU 126 N 0.00 0.00 -0.56 0.54 5.08 -1.95 0.93 114.58 118.62 2wrn h GLU 126 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2wrn h GLU 126 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2wrn h GLU 126 CO 0.00 0.00 -0.01 0.82 -1.00 0.00 0.00 179.01 178.82 2wrn h ILE 127 N 0.00 1.26 0.00 3.13 1.08 -1.85 -1.90 117.51 119.23 2wrn h ILE 127 Ca 0.02 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 2wrn h ILE 127 Cb 0.40 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 2wrn h ILE 127 CO -0.00 0.41 0.15 1.21 -0.69 0.00 0.00 178.15 179.23 2wrn n GLU 128 N -4.24 0.02 0.00 2.37 4.07 0.32 -4.35 120.64 118.83 2wrn n GLU 128 Ca 0.02 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 2wrn n GLU 128 Cb 0.34 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 2wrn n GLU 128 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2wrn n GLU 129 N -1.47 3.99 -1.89 5.31 1.02 -0.71 -5.09 120.64 121.79 2wrn n GLU 129 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wrn n GLU 129 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2wrn n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wrn n ARG 130 N 0.00 -5.20 -1.91 3.49 5.12 -1.23 -4.91 116.66 112.02 2wrn n ARG 130 Ca 0.00 3.73 -0.36 0.00 -1.93 0.00 0.00 57.85 59.28 2wrn n ARG 130 Cb 0.00 -4.04 0.05 0.00 -1.16 0.00 0.00 32.46 27.30 2wrn n ARG 130 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wrn s PRO 131 N -1.50 2.82 0.53 5.56 0.04 -1.26 -4.61 135.00 136.58 2wrn s PRO 131 Ca 0.00 1.93 0.22 0.00 0.04 0.00 0.00 61.00 63.19 2wrn s PRO 131 Cb 0.00 -1.91 1.37 0.00 0.04 0.00 0.00 34.50 34.00 2wrn s PRO 131 CO 0.00 -1.35 2.06 -0.22 0.04 0.00 0.00 177.00 177.53 2wrn h LYS 132 N 0.78 0.00 -0.98 4.56 3.64 -1.92 1.47 116.57 124.11 2wrn h LYS 132 Ca -0.51 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.07 2wrn h LYS 132 Cb 1.31 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.04 2wrn h LYS 132 CO 0.54 0.00 0.61 0.87 -2.27 0.00 0.00 179.45 179.21 2wrn h LYS 133 N 0.00 0.64 0.00 1.90 1.79 -1.98 -0.77 116.57 118.16 2wrn h LYS 133 Ca 0.14 -0.04 -0.36 0.00 -2.18 0.00 0.00 60.65 58.21 2wrn h LYS 133 Cb 0.58 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.02 2wrn h LYS 133 CO -0.00 0.43 -2.31 0.39 -1.08 0.00 0.00 179.45 176.88 2wrn n GLU 134 N -4.68 0.68 0.00 3.15 -0.58 0.23 -2.71 120.64 116.72 2wrn n GLU 134 Ca 0.22 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2wrn n GLU 134 Cb 0.61 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2wrn n GLU 134 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wrn n GLN 135 N -2.85 0.34 0.00 3.49 6.02 0.44 0.77 117.38 125.58 2wrn n GLN 135 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 2wrn n GLN 135 Cb 1.13 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 31.34 2wrn n GLN 135 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wrn n VAL 136 N -0.27 0.00 -0.01 5.09 0.31 -0.38 -4.67 118.33 118.40 2wrn n VAL 136 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2wrn n VAL 136 Cb 0.02 0.76 -0.00 0.00 -0.91 0.00 0.00 33.84 33.71 2wrn n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrn h ARG 137 N 0.00 0.00 -0.61 5.55 1.12 0.56 -3.37 114.38 117.63 2wrn h ARG 137 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.96 2wrn h ARG 137 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 29.89 2wrn h ARG 137 CO 0.00 0.00 0.23 -0.07 -3.11 0.00 0.00 179.97 177.02 2wrn h LEU 138 N -0.19 0.22 -2.48 3.80 3.38 -1.38 -0.36 115.31 118.32 2wrn h LEU 138 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wrn h LEU 138 Cb 0.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wrn h LEU 138 CO 0.00 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.95 2wrn n LYS 139 N -5.00 0.66 0.00 1.13 4.76 -1.25 0.17 118.16 118.64 2wrn n LYS 139 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2wrn n LYS 139 Cb 0.27 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 2wrn n LYS 139 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2wrn n HIS 140 N 1.02 0.00 -0.08 2.13 -0.00 -0.17 -4.76 115.22 113.36 2wrn n HIS 140 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2wrn n HIS 140 Cb 0.33 0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.18 2wrn n HIS 140 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2wrn n GLU 141 N 0.00 0.50 -0.24 1.57 2.13 0.13 -4.31 120.64 120.41 2wrn n GLU 141 Ca 0.00 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 58.04 2wrn n GLU 141 Cb 0.08 -1.42 0.06 0.00 0.27 0.00 0.00 31.44 30.43 2wrn n GLU 141 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2wrn h LEU 142 N -0.96 -0.86 0.00 4.31 6.46 -1.49 1.14 115.31 123.93 2wrn h LEU 142 Ca 0.00 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2wrn h LEU 142 Cb 0.91 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2wrn h LEU 142 CO 0.00 -0.26 0.00 -0.62 -0.62 0.00 0.00 178.44 176.94 2wrn n GLU 143 N -5.47 0.00 -0.17 1.25 1.02 -1.26 0.21 120.64 116.22 2wrn n GLU 143 Ca 0.08 0.72 -0.04 0.00 -0.02 0.00 0.00 57.16 57.90 2wrn n GLU 143 Cb 0.37 -1.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.69 2wrn n GLU 143 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2wrn h ARG 144 N 0.00 0.49 -1.46 3.49 0.11 -1.49 0.25 114.38 115.77 2wrn h ARG 144 Ca 0.00 -0.03 0.43 0.00 0.10 0.00 0.00 59.98 60.48 2wrn h ARG 144 Cb 0.00 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 30.89 2wrn h ARG 144 CO 0.00 0.33 1.02 1.25 0.10 0.00 0.00 179.97 182.67 2wrn h LEU 145 N 0.51 0.09 0.04 0.08 7.12 0.59 0.34 115.31 124.07 2wrn h LEU 145 Ca 0.23 0.03 -0.27 0.00 0.13 0.00 0.00 57.88 58.00 2wrn h LEU 145 Cb 0.14 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 2wrn h LEU 145 CO -0.16 -0.03 -1.47 -0.61 -0.13 0.00 0.00 178.44 176.04 2wrn h GLN 146 N 0.05 0.08 0.00 1.25 4.15 0.52 -3.32 115.11 117.85 2wrn h GLN 146 Ca 0.74 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 60.02 2wrn h GLN 146 Cb 2.75 0.05 0.00 0.00 0.21 0.00 0.00 27.48 30.49 2wrn h GLN 146 CO -0.11 1.06 0.46 -0.22 -1.93 0.00 0.00 178.83 178.10 2wrn h LYS 147 N -0.69 0.00 0.00 1.69 3.64 0.27 -1.58 116.57 119.90 2wrn h LYS 147 Ca -0.37 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2wrn h LYS 147 Cb 1.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 2wrn h LYS 147 CO -0.13 0.00 -1.30 0.66 -2.27 0.00 0.00 179.45 176.41 2wrn n TYR 148 N -2.27 0.00 -0.07 1.91 4.01 -0.86 -4.62 117.16 115.26 2wrn n TYR 148 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2wrn n TYR 148 Cb 0.48 -0.20 0.26 0.00 -0.31 0.00 0.00 39.34 39.57 2wrn n TYR 148 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2wrn n LEU 149 N -2.03 3.66 0.00 7.72 4.77 -0.97 -4.76 117.00 125.38 2wrn n LEU 149 Ca -0.06 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2wrn n LEU 149 Cb 0.51 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wrn n LEU 149 CO 0.10 0.86 0.13 -1.20 -1.33 0.00 0.00 177.39 175.96 2wrn n SER 150 N 1.49 0.00 0.07 -1.43 7.64 -0.63 -3.23 113.62 117.53 2wrn n SER 150 Ca 0.21 0.27 -0.03 0.00 1.01 0.00 0.00 58.87 60.33 2wrn n SER 150 Cb 0.60 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 2wrn n SER 150 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2wrn h GLY 151 N 0.00 -0.19 -7.13 0.23 0.00 -1.86 -3.37 103.07 90.74 2wrn h GLY 151 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2wrn h GLY 151 CO 0.00 -0.07 0.68 0.33 0.00 0.00 0.00 176.54 177.48 2wrn n PHE 152 N -2.88 0.61 -0.30 5.60 -0.00 -0.76 -2.91 117.46 116.81 2wrn n PHE 152 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 2wrn n PHE 152 Cb 0.07 -1.72 0.00 0.00 -0.00 0.00 0.00 39.48 37.83 2wrn n PHE 152 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2wrn n ARG 153 N 7.06 0.58 -0.01 -4.13 0.63 -1.23 -4.60 116.66 114.96 2wrn n ARG 153 Ca 0.42 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.42 2wrn n ARG 153 Cb 0.38 -0.05 -0.11 0.00 0.45 0.00 0.00 32.46 33.13 2wrn n ARG 153 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wrn n LEU 154 N 0.00 0.00 -4.57 6.15 4.77 -1.15 -4.77 117.00 117.43 2wrn n LEU 154 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2wrn n LEU 154 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2wrn n LEU 154 CO 0.00 0.00 1.20 -0.22 -1.33 0.00 0.00 177.39 177.04 2wrn s LEU 155 N -4.02 2.66 -0.01 2.23 1.98 -1.26 -4.57 118.68 115.69 2wrn s LEU 155 Ca -0.05 -0.72 0.01 0.00 -2.89 0.00 0.00 54.13 50.48 2wrn s LEU 155 Cb 0.09 -2.58 0.03 0.00 0.66 0.00 0.00 46.19 44.40 2wrn s LEU 155 CO 0.61 -4.13 0.70 0.29 -1.89 0.00 0.00 176.35 171.94 2wrn n LYS 156 N 8.45 1.14 0.00 1.98 5.02 -1.26 -4.72 118.16 128.77 2wrn n LYS 156 Ca 0.43 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2wrn n LYS 156 Cb 0.46 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2wrn n LYS 156 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wrn n ARG 157 N -0.11 0.00 -1.15 1.97 0.63 -1.26 -5.14 116.66 111.60 2wrn n ARG 157 Ca 0.01 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.56 2wrn n ARG 157 Cb 0.21 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.11 2wrn n ARG 157 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wrn n LEU 158 N 0.00 -2.00 -4.76 6.15 4.77 -1.26 -4.88 117.00 115.01 2wrn n LEU 158 Ca 0.00 0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 56.42 2wrn n LEU 158 Cb 0.00 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2wrn n LEU 158 CO 0.00 -3.27 0.82 -2.84 -1.33 0.00 0.00 177.39 170.77 2wrn s PRO 159 N -0.86 3.08 0.08 3.23 0.02 -1.26 -4.92 135.00 134.36 2wrn s PRO 159 Ca 0.53 1.74 0.27 0.00 0.02 0.00 0.00 61.00 63.55 2wrn s PRO 159 Cb -0.64 -1.95 0.87 0.00 0.02 0.00 0.00 34.50 32.80 2wrn s PRO 159 CO 0.52 -1.10 1.72 -0.25 -0.33 0.00 0.00 177.00 177.56 2wrn n ASP 160 N -1.55 0.43 0.00 2.53 8.00 -0.47 -4.93 116.55 120.57 2wrn n ASP 160 Ca 0.13 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.99 2wrn n ASP 160 Cb 0.50 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2wrn n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrn n ALA 161 N -1.64 0.00 -3.63 2.24 0.00 -1.04 -4.56 120.51 111.89 2wrn n ALA 161 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 2wrn n ALA 161 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2wrn n ALA 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2wrn s ILE 162 N -2.70 0.00 -0.04 0.00 2.07 -1.19 -3.47 121.20 115.87 2wrn s ILE 162 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 2wrn s ILE 162 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 2wrn s ILE 162 CO 0.00 0.00 -0.16 0.12 -1.91 0.00 0.00 174.94 172.99 2wrn s PHE 163 N -0.53 1.61 0.20 3.50 5.99 0.28 -2.55 117.98 126.48 2wrn s PHE 163 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 56.93 56.56 2wrn s PHE 163 Cb -0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 43.02 41.86 2wrn s PHE 163 CO -0.07 -0.14 0.03 0.08 -0.00 0.00 0.00 175.22 175.12 2wrn s VAL 164 N -0.02 0.66 0.00 3.12 1.01 -0.89 0.15 120.40 124.43 2wrn s VAL 164 Ca -0.02 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 59.97 2wrn s VAL 164 Cb -0.10 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2wrn s VAL 164 CO 0.02 -0.32 0.00 1.33 0.00 0.00 0.00 175.10 176.12 2wrn n VAL 165 N -0.32 0.00 -2.64 2.92 0.24 -0.98 -1.10 118.33 116.46 2wrn n VAL 165 Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 2wrn n VAL 165 Cb 0.64 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.00 2wrn n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wrn s ASP 166 N -1.00 6.75 0.11 -1.34 3.68 -1.26 -3.60 116.67 120.01 2wrn s ASP 166 Ca 0.00 -2.19 -0.21 0.00 2.13 0.00 0.00 52.55 52.28 2wrn s ASP 166 Cb 0.00 -2.55 -0.05 0.00 -1.45 0.00 0.00 42.92 38.88 2wrn s ASP 166 CO 0.00 -1.22 1.04 -0.81 0.13 0.00 0.00 175.17 174.32 2wrn n PRO 167 N 8.11 -0.30 -0.25 4.34 -0.04 -1.26 0.18 135.00 145.78 2wrn n PRO 167 Ca 0.41 1.02 -0.00 0.00 -0.04 0.00 0.00 63.50 64.89 2wrn n PRO 167 Cb 0.47 -1.51 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2wrn n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wrn h THR 168 N 0.00 0.22 -0.94 0.52 1.35 -1.96 0.91 112.91 113.01 2wrn h THR 168 Ca 0.11 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.25 2wrn h THR 168 Cb 0.28 0.22 -0.16 0.00 -1.73 0.00 0.00 68.15 66.76 2wrn h THR 168 CO -0.63 0.00 0.23 0.11 -0.25 0.00 0.00 175.52 174.97 2wrn h LYS 169 N -0.04 0.11 -0.34 4.72 1.79 0.15 0.83 116.57 123.78 2wrn h LYS 169 Ca 0.32 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.60 2wrn h LYS 169 Cb 0.55 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.06 2wrn h LYS 169 CO -0.75 0.07 -0.18 0.39 -1.08 0.00 0.00 179.45 177.90 2wrn n GLU 170 N -5.32 1.92 0.14 3.15 4.71 0.26 -4.68 120.64 120.82 2wrn n GLU 170 Ca 0.25 -3.28 0.18 0.00 -0.01 0.00 0.00 57.16 54.29 2wrn n GLU 170 Cb 0.82 -1.83 0.62 0.00 -1.01 0.00 0.00 31.44 30.05 2wrn n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wrn h ALA 171 N 1.10 2.02 0.74 0.62 0.00 0.26 2.30 119.26 126.31 2wrn h ALA 171 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2wrn h ALA 171 Cb 1.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2wrn h ALA 171 CO 0.39 -0.80 -0.50 0.82 0.00 0.00 0.00 179.25 179.16 2wrn h ILE 172 N 0.00 0.00 0.00 0.00 5.03 -1.83 0.94 117.51 121.66 2wrn h ILE 172 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.91 2wrn h ILE 172 Cb 1.40 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 2wrn h ILE 172 CO -0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 2wrn n ALA 173 N -2.76 -0.09 -0.11 1.87 0.00 0.75 -1.51 120.51 118.67 2wrn n ALA 173 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2wrn n ALA 173 Cb 0.50 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 2wrn n ALA 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrn n VAL 174 N -1.30 -0.17 0.12 0.00 0.31 0.29 0.69 118.33 118.28 2wrn n VAL 174 Ca 0.00 0.66 -0.10 0.00 -0.01 0.00 0.00 64.34 64.89 2wrn n VAL 174 Cb 0.00 -0.84 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 2wrn n VAL 174 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wrn h ARG 175 N 0.00 -0.49 -0.91 5.55 2.43 0.13 0.20 114.38 121.30 2wrn h ARG 175 Ca 0.07 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.45 2wrn h ARG 175 Cb 0.14 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 29.63 2wrn h ARG 175 CO -0.27 -0.32 -0.24 0.39 -1.51 0.00 0.00 179.97 178.02 2wrn n GLU 176 N -4.10 -0.09 0.00 0.20 1.02 0.22 -0.28 120.64 117.60 2wrn n GLU 176 Ca -0.06 1.41 0.00 0.00 -0.02 0.00 0.00 57.16 58.50 2wrn n GLU 176 Cb 0.25 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2wrn n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wrn n ALA 177 N -3.65 -0.05 -0.05 0.62 0.00 -0.77 -3.17 120.51 113.43 2wrn n ALA 177 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 2wrn n ALA 177 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 2wrn n ALA 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wrn n ARG 178 N -1.05 -0.05 -0.03 0.00 3.00 0.62 0.11 116.66 119.26 2wrn n ARG 178 Ca 0.00 0.19 -0.11 0.00 -0.00 0.00 0.00 57.85 57.93 2wrn n ARG 178 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 32.46 32.12 2wrn n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2wrn h LYS 179 N 0.00 -0.42 0.00 -0.14 3.64 -1.44 0.30 116.57 118.51 2wrn h LYS 179 Ca 0.03 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wrn h LYS 179 Cb 0.06 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wrn h LYS 179 CO -0.12 -0.28 0.00 1.28 -2.27 0.00 0.00 179.45 178.06 2wrn n LEU 180 N -5.43 0.00 0.00 5.20 4.77 0.30 -4.73 117.00 117.12 2wrn n LEU 180 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2wrn n LEU 180 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2wrn n LEU 180 CO 0.11 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 176.66 2wrn n PHE 181 N -0.26 0.00 -1.68 -1.77 3.72 0.11 -4.89 117.46 112.69 2wrn n PHE 181 Ca 0.00 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 2wrn n PHE 181 Cb 0.00 -1.29 -0.05 0.00 -0.94 0.00 0.00 39.48 37.20 2wrn n PHE 181 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2wrn n ILE 182 N -2.00 0.54 -1.73 4.37 5.41 -1.24 -4.89 119.36 119.81 2wrn n ILE 182 Ca 0.00 -0.10 -0.42 0.00 1.00 0.00 0.00 62.75 63.23 2wrn n ILE 182 Cb 0.00 -1.85 -0.00 0.00 -0.71 0.00 0.00 39.64 37.08 2wrn n ILE 182 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wrn n PRO 183 N 6.41 2.39 -4.35 0.38 -0.02 -1.26 -4.34 135.00 134.21 2wrn n PRO 183 Ca 0.22 0.84 -0.19 0.00 -2.02 0.00 0.00 63.50 62.35 2wrn n PRO 183 Cb 0.29 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 2wrn n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wrn s VAL 184 N -1.08 0.72 0.10 -1.45 1.01 -1.26 -3.18 120.40 115.26 2wrn s VAL 184 Ca 0.55 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2wrn s VAL 184 Cb -0.53 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2wrn s VAL 184 CO 0.63 0.22 -0.08 0.27 0.00 0.00 0.00 175.10 176.14 2wrn s ILE 185 N 0.09 0.79 -0.14 2.22 -4.36 -1.06 0.25 121.20 119.00 2wrn s ILE 185 Ca -0.01 -1.88 -0.34 0.00 -0.26 0.00 0.00 60.65 58.16 2wrn s ILE 185 Cb -0.07 -1.62 0.14 0.00 1.25 0.00 0.00 42.46 42.16 2wrn s ILE 185 CO 0.00 -0.79 1.26 0.00 0.24 0.00 0.00 174.94 175.65 2wrn s ALA 186 N -3.32 -2.16 -1.19 2.27 0.00 -1.26 -2.09 121.76 114.02 2wrn s ALA 186 Ca 0.11 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 2wrn s ALA 186 Cb 0.03 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.25 2wrn s ALA 186 CO -0.03 -0.75 1.59 -1.17 0.00 0.00 0.00 175.76 175.39 2wrn s LEU 187 N -2.45 3.94 -0.02 0.00 0.20 -0.26 -2.18 118.68 117.92 2wrn s LEU 187 Ca 0.11 -2.20 -0.01 0.00 0.69 0.00 0.00 54.13 52.73 2wrn s LEU 187 Cb 0.01 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 2wrn s LEU 187 CO -0.04 -1.22 0.08 0.00 -0.29 0.00 0.00 176.35 174.88 2wrn s ALA 188 N 4.07 3.57 0.32 5.97 0.00 -1.14 -4.16 121.76 130.40 2wrn s ALA 188 Ca 0.49 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2wrn s ALA 188 Cb 0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2wrn s ALA 188 CO 0.01 0.67 0.10 -0.40 0.00 0.00 0.00 175.76 176.14 2wrn n ASP 189 N 1.34 1.45 -3.26 0.00 5.75 -1.23 -1.14 116.55 119.45 2wrn n ASP 189 Ca -0.14 -2.67 -0.16 0.00 -0.01 0.00 0.00 54.79 51.80 2wrn n ASP 189 Cb 0.53 0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 41.29 2wrn n ASP 189 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wrn n THR 190 N -0.74 0.00 0.02 2.12 -2.24 -1.26 -2.67 114.28 109.51 2wrn n THR 190 Ca -0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2wrn n THR 190 Cb 0.47 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 2wrn n THR 190 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wrn n ASP 191 N 6.22 -0.19 -2.94 3.42 -0.08 -1.26 -3.70 116.55 118.01 2wrn n ASP 191 Ca 0.17 0.09 -0.14 0.00 -1.51 0.00 0.00 54.79 53.40 2wrn n ASP 191 Cb 0.16 0.32 0.11 0.00 2.34 0.00 0.00 41.12 44.05 2wrn n ASP 191 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2wrn n SER 192 N -2.64 -0.65 -4.33 1.67 7.64 -1.09 -3.72 113.62 110.50 2wrn n SER 192 Ca 0.00 -1.04 -0.29 0.00 1.01 0.00 0.00 58.87 58.55 2wrn n SER 192 Cb 0.00 -0.48 -0.15 0.00 -1.01 0.00 0.00 64.21 62.58 2wrn n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wrn s ASP 193 N -3.11 3.02 0.07 6.43 3.84 -1.26 -4.64 116.67 121.02 2wrn s ASP 193 Ca 0.35 -0.58 -0.28 0.00 -0.00 0.00 0.00 52.55 52.04 2wrn s ASP 193 Cb -0.02 -0.27 -0.17 0.00 -1.38 0.00 0.00 42.92 41.08 2wrn s ASP 193 CO 0.25 0.24 1.62 1.55 -0.00 0.00 0.00 175.17 178.84 2wrn h PRO 194 N 4.81 -0.42 0.00 2.11 0.13 -1.92 -3.33 132.00 133.39 2wrn h PRO 194 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wrn h PRO 194 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wrn h PRO 194 CO 0.44 -0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 177.71 2wrn n ASP 195 N -5.25 0.00 -0.56 1.44 9.92 -1.26 0.24 116.55 121.08 2wrn n ASP 195 Ca -0.10 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.29 2wrn n ASP 195 Cb 0.21 0.00 0.44 0.00 -0.64 0.00 0.00 41.12 41.13 2wrn n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wrn n LEU 196 N -2.18 1.71 -4.36 0.64 -0.00 -1.25 -4.74 117.00 106.83 2wrn n LEU 196 Ca 0.00 -0.62 -0.38 0.00 -0.00 0.00 0.00 56.01 55.00 2wrn n LEU 196 Cb 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 43.42 43.26 2wrn n LEU 196 CO 0.00 0.31 -0.24 -0.69 -0.00 0.00 0.00 177.39 176.77 2wrn s VAL 197 N -1.92 4.16 0.18 1.47 1.01 0.65 -4.84 120.40 121.11 2wrn s VAL 197 Ca 0.36 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2wrn s VAL 197 Cb 0.20 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.48 2wrn s VAL 197 CO 0.31 -0.01 1.70 0.44 0.00 0.00 0.00 175.10 177.54 2wrn h ASP 198 N 8.29 -0.12 -3.30 3.32 5.19 0.31 -3.34 116.42 126.76 2wrn h ASP 198 Ca -0.29 0.10 -0.61 0.00 -0.62 0.00 0.00 57.03 55.60 2wrn h ASP 198 Cb 1.12 0.16 -0.40 0.00 0.18 0.00 0.00 39.33 40.39 2wrn h ASP 198 CO 0.62 -0.03 -0.74 -0.31 -3.12 0.00 0.00 179.24 175.66 2wrn s TYR 199 N -6.16 2.09 0.97 4.55 4.12 -1.10 -5.02 117.35 116.80 2wrn s TYR 199 Ca -0.13 -2.54 -0.14 0.00 0.02 0.00 0.00 57.07 54.28 2wrn s TYR 199 Cb 0.15 -1.88 0.04 0.00 -1.52 0.00 0.00 41.96 38.75 2wrn s TYR 199 CO 0.72 -0.76 0.31 -0.89 0.02 0.00 0.00 175.55 174.96 2wrn n ILE 200 N 3.24 0.00 -3.09 2.71 -0.00 -1.26 -4.06 119.36 116.91 2wrn n ILE 200 Ca 0.13 -0.21 -0.19 0.00 -0.00 0.00 0.00 62.75 62.47 2wrn n ILE 200 Cb 0.36 -0.60 -0.03 0.00 -0.00 0.00 0.00 39.64 39.37 2wrn n ILE 200 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2wrn n ILE 201 N -3.67 -0.41 -1.71 1.39 2.08 -0.93 -4.51 119.36 111.60 2wrn n ILE 201 Ca 0.06 -3.62 -0.58 0.00 0.56 0.00 0.00 62.75 59.17 2wrn n ILE 201 Cb 0.55 -0.78 -0.07 0.00 -0.75 0.00 0.00 39.64 38.58 2wrn n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2wrn n PRO 202 N 1.08 1.12 0.00 0.38 -0.04 -1.23 -2.86 135.00 133.45 2wrn n PRO 202 Ca 0.19 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2wrn n PRO 202 Cb 0.59 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2wrn n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrn n GLY 203 N 4.28 3.23 1.97 0.55 0.00 -0.29 -4.89 105.19 110.03 2wrn n GLY 203 Ca 0.27 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2wrn n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wrn n ASN 204 N 0.00 -0.34 -0.42 1.61 4.05 -1.26 -3.56 115.26 115.34 2wrn n ASN 204 Ca 0.00 0.65 0.09 0.00 0.45 0.00 0.00 54.58 55.77 2wrn n ASN 204 Cb 0.00 -0.53 0.19 0.00 1.23 0.00 0.00 39.78 40.66 2wrn n ASN 204 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2wrn n ASP 205 N 0.99 2.87 0.00 1.20 5.75 -1.26 -4.62 116.55 121.48 2wrn n ASP 205 Ca 0.11 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2wrn n ASP 205 Cb 0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2wrn n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2wrn n ASP 206 N -1.09 0.61 -4.58 -1.12 9.92 -1.26 -4.52 116.55 114.50 2wrn n ASP 206 Ca 0.19 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 54.04 2wrn n ASP 206 Cb 0.74 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.20 2wrn n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wrn s ALA 207 N -1.46 2.37 0.30 2.24 0.00 -1.26 -4.79 121.76 119.15 2wrn s ALA 207 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 2wrn s ALA 207 Cb 0.00 -4.17 0.69 0.00 0.00 0.00 0.00 23.12 19.64 2wrn s ALA 207 CO 0.00 -3.39 1.58 0.82 0.00 0.00 0.00 175.76 174.77 2wrn h ILE 208 N 7.15 0.05 0.00 0.00 2.04 -1.97 0.45 117.51 125.24 2wrn h ILE 208 Ca -0.32 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2wrn h ILE 208 Cb 1.21 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2wrn h ILE 208 CO 1.08 0.00 0.00 0.54 0.00 0.00 0.00 178.15 179.77 2wrn n ARG 209 N -5.49 0.00 -0.02 2.37 5.12 -1.26 0.23 116.66 117.61 2wrn n ARG 209 Ca 0.21 0.70 -0.09 0.00 -1.93 0.00 0.00 57.85 56.74 2wrn n ARG 209 Cb 0.70 -1.16 -0.02 0.00 -1.16 0.00 0.00 32.46 30.82 2wrn n ARG 209 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wrn h SER 210 N 0.00 -0.63 0.00 0.55 0.87 -1.36 -2.30 113.55 110.68 2wrn h SER 210 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2wrn h SER 210 Cb 0.00 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2wrn h SER 210 CO 0.00 -0.25 0.00 -0.38 -0.53 0.00 0.00 176.83 175.67 2wrn n ILE 211 N -5.34 0.00 -0.35 2.23 5.41 0.01 -1.71 119.36 119.61 2wrn n ILE 211 Ca -0.02 1.45 -0.07 0.00 1.00 0.00 0.00 62.75 65.11 2wrn n ILE 211 Cb 0.26 -2.06 -0.06 0.00 -0.71 0.00 0.00 39.64 37.07 2wrn n ILE 211 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2wrn n GLN 212 N -2.62 -0.33 -0.01 0.38 0.00 0.62 -1.18 117.38 114.23 2wrn n GLN 212 Ca 0.00 1.28 -0.01 0.00 -0.00 0.00 0.00 57.00 58.27 2wrn n GLN 212 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 30.24 28.35 2wrn n GLN 212 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2wrn h LEU 213 N 0.00 -0.16 -0.94 1.69 6.46 -0.85 0.50 115.31 122.01 2wrn h LEU 213 Ca 0.17 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 2wrn h LEU 213 Cb 0.38 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.26 2wrn h LEU 213 CO -0.80 -0.03 -0.58 0.40 -0.62 0.00 0.00 178.44 176.80 2wrn h ILE 214 N -0.03 0.00 -0.30 4.05 1.08 -0.26 0.21 117.51 122.27 2wrn h ILE 214 Ca 0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2wrn h ILE 214 Cb 0.05 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 2wrn h ILE 214 CO -0.05 0.00 0.14 -0.07 -0.69 0.00 0.00 178.15 177.48 2wrn h LEU 215 N -0.03 0.20 0.00 1.44 -0.00 -1.24 -0.79 115.31 114.89 2wrn h LEU 215 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2wrn h LEU 215 Cb 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2wrn h LEU 215 CO -0.91 0.15 0.00 -0.24 -0.00 0.00 0.00 178.44 177.45 2wrn n SER 216 N -4.97 0.00 0.21 -0.43 2.88 0.17 0.23 113.62 111.72 2wrn n SER 216 Ca -0.01 0.28 0.06 0.00 -1.33 0.00 0.00 58.87 57.87 2wrn n SER 216 Cb 0.08 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.88 2wrn n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2wrn h ARG 217 N 0.00 0.00 0.00 -1.46 2.47 -1.19 0.51 114.38 114.71 2wrn h ARG 217 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2wrn h ARG 217 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wrn h ARG 217 CO 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 179.97 180.42 2wrn h ALA 218 N 0.88 0.02 -0.39 0.04 0.00 0.86 -3.04 119.26 117.64 2wrn h ALA 218 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.48 2wrn h ALA 218 Cb 0.91 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2wrn h ALA 218 CO 0.00 0.07 -0.06 0.28 0.00 0.00 0.00 179.25 179.53 2wrn h VAL 219 N -1.00 0.64 0.18 0.00 2.07 0.80 -1.39 116.25 117.56 2wrn h VAL 219 Ca -0.03 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2wrn h VAL 219 Cb 0.91 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2wrn h VAL 219 CO -0.02 0.01 -0.42 0.44 0.02 0.00 0.00 177.57 177.60 2wrn h ASP 220 N 0.03 -1.21 -0.99 0.57 3.32 -1.50 0.17 116.42 116.82 2wrn h ASP 220 Ca 0.19 0.13 0.34 0.00 0.02 0.00 0.00 57.03 57.71 2wrn h ASP 220 Cb 0.28 0.44 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 2wrn h ASP 220 CO -0.37 -0.51 0.49 0.25 -1.72 0.00 0.00 179.24 177.38 2wrn h LEU 221 N -0.70 0.33 0.76 1.55 7.12 -1.28 1.55 115.31 124.65 2wrn h LEU 221 Ca 0.01 0.22 -0.03 0.00 0.13 0.00 0.00 57.88 58.20 2wrn h LEU 221 Cb 0.69 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 2wrn h LEU 221 CO -0.20 -0.25 -0.42 0.40 -0.13 0.00 0.00 178.44 177.84 2wrn h ILE 222 N 0.19 0.16 0.00 4.05 1.08 0.32 -2.93 117.51 120.38 2wrn h ILE 222 Ca 0.74 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.21 2wrn h ILE 222 Cb 1.77 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2wrn h ILE 222 CO -0.69 0.00 0.00 -0.38 -0.69 0.00 0.00 178.15 176.39 2wrn n ILE 223 N -5.57 0.00 0.00 -0.67 5.41 0.49 -1.19 119.36 117.84 2wrn n ILE 223 Ca -0.14 1.50 0.00 0.00 1.00 0.00 0.00 62.75 65.10 2wrn n ILE 223 Cb 0.45 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 2wrn n ILE 223 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2wrn n GLN 224 N -2.62 0.00 0.20 0.38 7.27 0.10 0.19 117.38 122.91 2wrn n GLN 224 Ca 0.00 0.17 0.06 0.00 0.07 0.00 0.00 57.00 57.29 2wrn n GLN 224 Cb 0.00 -0.48 0.30 0.00 2.41 0.00 0.00 30.24 32.47 2wrn n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wrn h ALA 225 N -1.52 1.36 0.00 1.69 0.00 -1.57 1.97 119.26 121.20 2wrn h ALA 225 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wrn h ALA 225 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wrn h ALA 225 CO 0.00 -0.36 -0.00 -0.09 0.00 0.00 0.00 179.25 178.79 2wrn h ARG 226 N 0.00 -0.00 0.00 0.00 1.12 0.36 -3.40 114.38 112.45 2wrn h ARG 226 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2wrn h ARG 226 Cb 0.96 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.92 2wrn h ARG 226 CO 0.00 0.91 0.00 0.41 -3.11 0.00 0.00 179.97 178.18 2wrn n GLY 227 N 1.56 2.15 0.00 2.80 0.00 0.67 -5.04 105.19 107.32 2wrn n GLY 227 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wrn n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrn n GLY 228 N 0.00 0.70 2.96 -0.02 0.00 -1.26 -4.93 105.19 102.64 2wrn n GLY 228 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 2wrn n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrn n VAL 229 N 0.00 0.00 -1.88 1.61 0.31 -1.26 -4.88 118.33 112.23 2wrn n VAL 229 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2wrn n VAL 229 Cb 0.00 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 2wrn n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wrn n VAL 230 N -3.81 0.00 -3.60 2.52 0.24 -1.26 -5.02 118.33 107.40 2wrn n VAL 230 Ca 0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.12 2wrn n VAL 230 Cb 0.35 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 2wrn n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2wrn s GLU 231 N 1.15 3.25 0.81 7.34 -1.05 -1.26 -5.10 118.70 123.84 2wrn s GLU 231 Ca 0.00 -0.84 -0.14 0.00 -0.15 0.00 0.00 54.97 53.85 2wrn s GLU 231 Cb 0.00 -2.81 0.21 0.00 -0.44 0.00 0.00 34.13 31.09 2wrn s GLU 231 CO 0.00 0.17 0.49 -2.30 0.95 0.00 0.00 175.26 174.57 2wrn n PRO 232 N -1.61 -3.54 -4.59 -4.83 -0.02 -1.26 -5.07 135.00 114.09 2wrn n PRO 232 Ca -0.03 -0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 60.35 2wrn n PRO 232 Cb 0.58 -1.05 -0.09 0.00 -0.02 0.00 0.00 33.50 32.92 2wrn n PRO 232 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wrn s SER 233 N -2.65 3.23 -0.76 2.55 1.04 -1.26 -5.01 113.70 110.84 2wrn s SER 233 Ca 0.37 -1.61 -0.36 0.00 0.48 0.00 0.00 55.95 54.84 2wrn s SER 233 Cb -0.06 0.36 -0.20 0.00 0.10 0.00 0.00 66.02 66.22 2wrn s SER 233 CO 0.31 -0.83 2.45 -2.65 0.98 0.00 0.00 173.24 173.50 2wrn n PRO 234 N -1.00 0.08 0.00 4.02 -0.02 -1.26 -4.80 135.00 132.02 2wrn n PRO 234 Ca -0.10 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wrn n PRO 234 Cb 0.66 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2wrn n PRO 234 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wrn n SER 235 N 9.48 0.00 -4.53 2.55 3.41 -1.26 -4.72 113.62 118.56 2wrn n SER 235 Ca 0.60 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.90 2wrn n SER 235 Cb 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 2wrn n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wrn n TYR 236 N 0.00 0.89 0.31 7.33 4.02 -1.26 -4.62 117.16 123.83 2wrn n TYR 236 Ca 0.00 0.16 0.20 0.00 -0.01 0.00 0.00 57.90 58.24 2wrn n TYR 236 Cb 0.00 -2.22 1.02 0.00 -0.02 0.00 0.00 39.34 38.12 2wrn n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrn h ALA 237 N 14.70 1.07 0.00 -0.72 0.00 -1.99 -3.40 119.26 128.92 2wrn h ALA 237 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wrn h ALA 237 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wrn h ALA 237 CO 1.28 0.02 0.00 1.47 0.00 0.00 0.00 179.25 182.01 2wrn n LEU 238 N -3.21 0.00 -2.90 0.00 -0.00 -1.26 -5.12 117.00 104.51 2wrn n LEU 238 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.69 2wrn n LEU 238 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.56 2wrn n LEU 238 CO 0.23 0.00 -0.18 0.52 -0.00 0.00 0.00 177.39 177.97 2wrn n VAL 239 N 0.00 0.79 -3.89 1.47 0.31 -1.26 -1.71 118.33 114.05 2wrn n VAL 239 Ca 0.00 -0.33 -0.26 0.00 -0.01 0.00 0.00 64.34 63.74 2wrn n VAL 239 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2wrn n VAL 239 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2wrn n GLN 240 N 0.80 -0.85 0.00 5.55 7.27 -1.26 -5.17 117.38 123.72 2wrn n GLN 240 Ca 0.09 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.20 2wrn n GLN 240 Cb 0.23 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.41 2wrn n GLN 240 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28