#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnh s PRO 9 N 0.00 4.56 0.90 -0.67 0.04 -1.26 -5.06 135.00 133.51 2wnh s PRO 9 Ca 0.00 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 2wnh s PRO 9 Cb 0.00 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 31.60 2wnh s PRO 9 CO 0.00 0.15 1.25 -1.25 0.04 0.00 0.00 177.00 177.19 2wnh s PRO 10 N -1.61 1.16 0.28 0.56 0.04 -1.26 -5.01 135.00 129.16 2wnh s PRO 10 Ca 0.47 -0.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 2wnh s PRO 10 Cb -0.31 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 2wnh s PRO 10 CO 0.39 -2.10 1.57 -0.35 0.04 0.00 0.00 177.00 176.55 2wnh n PRO 11 N -3.61 2.60 -4.38 0.56 -0.04 -1.26 -5.00 135.00 123.86 2wnh n PRO 11 Ca 0.12 0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 64.28 2wnh n PRO 11 Cb 0.60 -2.69 -0.13 0.00 -0.04 0.00 0.00 33.50 31.24 2wnh n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wnh s ARG 12 N -0.41 1.11 -0.42 0.54 1.81 -1.26 -4.76 118.95 115.57 2wnh s ARG 12 Ca 0.65 -0.99 0.02 0.00 -1.72 0.00 0.00 55.73 53.70 2wnh s ARG 12 Cb -0.52 -1.24 0.15 0.00 -0.45 0.00 0.00 34.95 32.89 2wnh s ARG 12 CO 0.48 0.30 0.29 0.34 -0.68 0.00 0.00 175.30 176.03 2wnh s ASP 13 N -1.52 2.61 0.06 0.23 2.15 -1.26 -4.95 116.67 113.99 2wnh s ASP 13 Ca 0.04 -2.74 -0.31 0.00 0.43 0.00 0.00 52.55 49.98 2wnh s ASP 13 Cb -0.09 -0.61 -0.07 0.00 -0.30 0.00 0.00 42.92 41.85 2wnh s ASP 13 CO 0.03 -0.23 1.37 0.26 -0.17 0.00 0.00 175.17 176.43 2wnh s TRP 14 N 0.36 3.09 -0.12 -5.34 0.23 -1.26 -0.51 118.94 115.39 2wnh s TRP 14 Ca 0.24 0.93 0.00 0.00 -2.03 0.00 0.00 56.10 55.25 2wnh s TRP 14 Cb -0.11 -3.64 0.02 0.00 0.03 0.00 0.00 33.47 29.77 2wnh s TRP 14 CO -0.09 -2.28 -0.11 -1.14 0.96 0.00 0.00 176.95 174.29 2wnh s GLN 15 N 1.67 1.81 -0.11 4.98 2.00 0.64 -4.94 119.66 125.71 2wnh s GLN 15 Ca 0.64 -0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 53.32 2wnh s GLN 15 Cb -0.34 -1.73 -0.02 0.00 0.80 0.00 0.00 33.01 31.72 2wnh s GLN 15 CO 0.29 -0.21 1.24 -1.17 -0.50 0.00 0.00 175.29 174.93 2wnh s LEU 16 N 1.47 4.23 -0.18 3.68 2.96 -1.26 -0.50 118.68 129.07 2wnh s LEU 16 Ca 0.02 1.77 0.12 0.00 -0.22 0.00 0.00 54.13 55.81 2wnh s LEU 16 Cb -0.13 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 2wnh s LEU 16 CO -0.07 -0.67 -0.00 -0.62 -1.32 0.00 0.00 176.35 173.67 2wnh n GLU 17 N 5.88 1.04 -3.63 1.98 1.02 0.09 -4.55 120.64 122.47 2wnh n GLU 17 Ca 0.12 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 2wnh n GLU 17 Cb 0.45 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 2wnh n GLU 17 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wnh s LYS 18 N -2.42 0.81 -0.10 3.49 2.47 -1.15 -4.80 119.74 118.04 2wnh s LYS 18 Ca -0.14 1.02 0.04 0.00 -1.56 0.00 0.00 55.97 55.33 2wnh s LYS 18 Cb 0.06 0.36 -0.00 0.00 -1.46 0.00 0.00 37.83 36.79 2wnh s LYS 18 CO 0.66 -0.11 -0.23 0.08 0.16 0.00 0.00 175.35 175.91 2wnh s VAL 19 N 0.56 2.15 -0.18 4.02 1.01 -0.19 -0.95 120.40 126.82 2wnh s VAL 19 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2wnh s VAL 19 Cb -0.05 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2wnh s VAL 19 CO -0.02 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 2wnh s VAL 20 N 0.25 2.41 -0.06 2.92 1.01 0.03 -0.37 120.40 126.59 2wnh s VAL 20 Ca -0.16 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2wnh s VAL 20 Cb -0.17 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2wnh s VAL 20 CO 0.08 0.52 -0.15 -0.70 0.00 0.00 0.00 175.10 174.85 2wnh s GLU 21 N 1.16 1.87 -0.30 2.72 2.12 0.08 -0.47 118.70 125.88 2wnh s GLU 21 Ca 0.01 -0.51 -0.00 0.00 0.36 0.00 0.00 54.97 54.83 2wnh s GLU 21 Cb -0.14 -1.53 0.06 0.00 0.26 0.00 0.00 34.13 32.78 2wnh s GLU 21 CO -0.07 0.10 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.57 2wnh s LEU 22 N 0.46 3.96 -0.06 2.70 2.96 0.42 -0.43 118.68 128.70 2wnh s LEU 22 Ca -0.12 -1.43 -0.04 0.00 -0.22 0.00 0.00 54.13 52.32 2wnh s LEU 22 Cb -0.15 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2wnh s LEU 22 CO 0.04 -0.28 0.12 -0.55 -1.32 0.00 0.00 176.35 174.36 2wnh s SER 23 N 1.24 6.06 0.54 3.68 0.15 0.49 -1.03 113.70 124.84 2wnh s SER 23 Ca -0.04 0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.75 2wnh s SER 23 Cb -0.20 -1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 62.19 2wnh s SER 23 CO -0.03 0.33 1.04 -0.60 1.20 0.00 0.00 173.24 175.18 2wnh s ARG 24 N -1.43 3.58 0.97 5.44 3.52 0.19 -0.88 118.95 130.36 2wnh s ARG 24 Ca 0.20 1.21 -0.11 0.00 -0.13 0.00 0.00 55.73 56.90 2wnh s ARG 24 Cb -0.12 -2.07 0.17 0.00 -1.56 0.00 0.00 34.95 31.37 2wnh s ARG 24 CO 0.10 -0.60 1.07 -2.39 -0.81 0.00 0.00 175.30 172.68 2wnh n HIS 25 N -1.60 0.30 -0.75 5.12 1.44 -0.53 -3.46 115.22 115.73 2wnh n HIS 25 Ca 0.09 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 2wnh n HIS 25 Cb 0.53 -1.93 0.00 0.00 0.12 0.00 0.00 29.99 28.71 2wnh n HIS 25 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wnh n GLY 26 N 0.50 -1.40 3.73 -1.39 0.00 -1.26 -1.42 105.19 103.95 2wnh n GLY 26 Ca 0.10 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2wnh n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wnh s ILE 27 N -0.86 2.18 0.21 -0.61 1.01 -1.26 -4.73 121.20 117.13 2wnh s ILE 27 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.86 2wnh s ILE 27 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2wnh s ILE 27 CO 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 174.94 174.81 2wnh s ARG 28 N 0.50 1.33 1.09 2.79 1.70 -1.26 -1.11 118.95 123.99 2wnh s ARG 28 Ca 0.69 -1.59 -0.17 0.00 -0.47 0.00 0.00 55.73 54.18 2wnh s ARG 28 Cb -0.48 -1.13 0.24 0.00 -0.57 0.00 0.00 34.95 33.02 2wnh s ARG 28 CO 0.38 0.19 1.19 -2.14 -1.08 0.00 0.00 175.30 173.84 2wnh s PRO 29 N -3.64 -0.36 0.72 3.89 0.02 -1.25 -4.85 135.00 129.52 2wnh s PRO 29 Ca 0.23 -0.16 -0.16 0.00 0.02 0.00 0.00 61.00 60.93 2wnh s PRO 29 Cb -0.01 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 2wnh s PRO 29 CO 0.07 -3.12 0.80 -0.35 -0.33 0.00 0.00 177.00 174.07 2wnh n PRO 30 N -4.32 0.43 -1.24 5.54 -0.04 -1.26 -3.49 135.00 130.62 2wnh n PRO 30 Ca 0.13 0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.49 2wnh n PRO 30 Cb 0.59 -2.07 0.11 0.00 -0.04 0.00 0.00 33.50 32.10 2wnh n PRO 30 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wnh s THR 31 N -1.85 2.98 0.23 0.52 -4.23 -1.26 -1.73 115.64 110.31 2wnh s THR 31 Ca 0.70 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.48 2wnh s THR 31 Cb -0.35 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 70.87 2wnh s THR 31 CO 0.53 -0.42 1.77 0.00 -0.54 0.00 0.00 174.62 175.97 2wnh h ALA 32 N -1.34 1.04 -0.37 3.99 0.00 -1.94 -0.06 119.26 120.57 2wnh h ALA 32 Ca -0.47 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2wnh h ALA 32 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2wnh h ALA 32 CO 0.53 -0.07 0.10 0.78 0.00 0.00 0.00 179.25 180.60 2wnh h GLY 33 N 0.59 0.63 0.40 0.00 0.00 -2.00 -2.01 103.07 100.68 2wnh h GLY 33 Ca 0.38 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.39 2wnh h GLY 33 CO -0.30 0.36 0.01 3.43 0.00 0.00 0.00 176.54 180.04 2wnh h ASN 34 N 0.45 -0.13 -0.30 0.19 -0.26 -1.79 -2.22 115.58 111.52 2wnh h ASN 34 Ca 0.12 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 2wnh h ASN 34 Cb 0.28 0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2wnh h ASN 34 CO -0.00 -0.03 0.19 -0.09 -1.06 0.00 0.00 177.43 176.43 2wnh h ARG 35 N 0.12 0.40 -0.48 0.81 2.43 -0.69 0.59 114.38 117.56 2wnh h ARG 35 Ca 0.19 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2wnh h ARG 35 Cb 0.26 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2wnh h ARG 35 CO -0.31 0.30 0.14 0.93 -1.51 0.00 0.00 179.97 179.52 2wnh h GLU 36 N 0.39 0.28 -0.24 0.20 5.08 -1.22 -0.60 114.58 118.48 2wnh h GLU 36 Ca 0.11 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2wnh h GLU 36 Cb -0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2wnh h GLU 36 CO -0.02 0.19 -0.01 0.00 -1.00 0.00 0.00 179.01 178.17 2wnh h ALA 37 N 1.34 0.33 -0.01 3.43 0.00 -0.73 -1.90 119.26 121.72 2wnh h ALA 37 Ca 0.23 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2wnh h ALA 37 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wnh h ALA 37 CO -0.27 0.07 -0.80 -0.84 0.00 0.00 0.00 179.25 177.41 2wnh h ILE 38 N 0.20 1.47 -0.32 0.00 3.07 -0.76 -0.72 117.51 120.46 2wnh h ILE 38 Ca 0.07 -2.47 -0.14 0.00 1.55 0.00 0.00 64.86 63.87 2wnh h ILE 38 Cb 0.43 2.35 -0.01 0.00 -0.27 0.00 0.00 36.82 39.32 2wnh h ILE 38 CO 0.01 0.72 -0.38 -0.33 -1.05 0.00 0.00 178.15 177.12 2wnh h GLU 39 N 0.12 0.74 -0.68 0.16 5.08 -1.12 -2.38 114.58 116.50 2wnh h GLU 39 Ca -0.03 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2wnh h GLU 39 Cb 1.40 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 2wnh h GLU 39 CO 0.12 1.00 0.12 0.00 -1.00 0.00 0.00 179.01 179.24 2wnh h ALA 40 N 0.96 0.90 -0.02 3.43 0.00 -1.22 -0.98 119.26 122.32 2wnh h ALA 40 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2wnh h ALA 40 Cb 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2wnh h ALA 40 CO 0.08 0.66 -0.34 0.00 0.00 0.00 0.00 179.25 179.66 2wnh h ALA 41 N 1.05 1.41 -0.01 0.00 0.00 -0.89 -3.07 119.26 117.75 2wnh h ALA 41 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wnh h ALA 41 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wnh h ALA 41 CO 0.01 0.44 -0.34 0.25 0.00 0.00 0.00 179.25 179.62 2wnh n THR 42 N -4.13 0.00 -2.85 0.00 -2.24 -0.92 -2.31 114.28 101.83 2wnh n THR 42 Ca -0.02 -0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 2wnh n THR 42 Cb 0.38 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 2wnh n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wnh n GLY 43 N 1.07 -0.45 3.37 3.38 0.00 -0.40 -4.73 105.19 107.43 2wnh n GLY 43 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 2wnh n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wnh s ARG 44 N -5.50 0.97 0.40 1.61 1.70 -1.06 -5.05 118.95 112.02 2wnh s ARG 44 Ca 0.23 -0.21 -0.25 0.00 -0.47 0.00 0.00 55.73 55.04 2wnh s ARG 44 Cb -0.10 0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 2wnh s ARG 44 CO 0.28 -0.33 1.13 -1.25 -1.08 0.00 0.00 175.30 174.05 2wnh s PRO 45 N -2.19 4.06 0.26 3.89 0.04 -1.26 -4.45 135.00 135.34 2wnh s PRO 45 Ca -0.07 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2wnh s PRO 45 Cb -0.01 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2wnh s PRO 45 CO 0.00 -0.29 0.28 -1.58 0.04 0.00 0.00 177.00 175.46 2wnh s TRP 46 N -1.49 3.21 0.23 0.56 0.52 -1.26 -5.05 118.94 115.65 2wnh s TRP 46 Ca 0.58 -0.10 -0.31 0.00 0.02 0.00 0.00 56.10 56.29 2wnh s TRP 46 Cb -0.28 -1.54 -0.15 0.00 -1.15 0.00 0.00 33.47 30.36 2wnh s TRP 46 CO 0.35 0.42 1.17 2.41 0.02 0.00 0.00 176.95 181.32 2wnh n THR 47 N -1.31 1.30 -3.27 2.01 -1.04 -1.26 -4.95 114.28 105.76 2wnh n THR 47 Ca -0.07 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.05 61.22 2wnh n THR 47 Cb 0.58 -1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 67.95 2wnh n THR 47 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wnh s GLU 48 N -0.82 4.06 0.66 -2.82 0.41 -1.26 -5.02 118.70 113.91 2wnh s GLU 48 Ca 0.67 0.26 -0.09 0.00 -0.41 0.00 0.00 54.97 55.40 2wnh s GLU 48 Cb -0.75 -3.65 0.01 0.00 -1.78 0.00 0.00 34.13 27.97 2wnh s GLU 48 CO 0.55 -0.32 1.02 -1.58 -0.49 0.00 0.00 175.26 174.43 2wnh s TRP 49 N 2.21 3.30 0.01 1.61 0.52 -1.26 -4.96 118.94 120.37 2wnh s TRP 49 Ca 0.20 0.89 0.32 0.00 0.02 0.00 0.00 56.10 57.53 2wnh s TRP 49 Cb -0.16 -2.93 1.31 0.00 -1.15 0.00 0.00 33.47 30.55 2wnh s TRP 49 CO 0.09 -1.02 1.94 1.15 0.02 0.00 0.00 176.95 179.13 2wnh h THR 50 N -0.45 0.00 -3.20 2.01 2.02 -2.05 -3.42 112.91 107.82 2wnh h THR 50 Ca -0.45 -0.46 -0.58 0.00 0.77 0.00 0.00 66.41 65.69 2wnh h THR 50 Cb 1.25 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 2wnh h THR 50 CO 0.63 0.00 -0.15 -0.89 0.37 0.00 0.00 175.52 175.48 2wnh s THR 51 N -3.61 4.95 0.35 3.16 2.01 -1.26 -5.05 115.64 116.18 2wnh s THR 51 Ca 0.02 0.75 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 2wnh s THR 51 Cb 0.09 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 2wnh s THR 51 CO 0.52 0.33 1.48 -1.00 -0.69 0.00 0.00 174.62 175.26 2wnh s HIS 52 N -1.36 2.70 0.03 4.92 0.09 -1.26 -4.87 115.29 115.54 2wnh s HIS 52 Ca 0.33 1.12 -0.39 0.00 -0.00 0.00 0.00 55.06 56.12 2wnh s HIS 52 Cb -0.15 -3.98 -0.19 0.00 -0.00 0.00 0.00 32.58 28.26 2wnh s HIS 52 CO 0.18 -2.95 1.09 -0.25 -0.00 0.00 0.00 174.74 172.81 2wnh n ASP 53 N 0.95 0.22 0.00 1.40 8.00 -1.26 -1.40 116.55 124.46 2wnh n ASP 53 Ca 0.03 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2wnh n ASP 53 Cb 0.39 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 2wnh n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wnh n GLY 54 N 1.69 1.80 3.96 0.44 0.00 -0.70 -4.64 105.19 107.73 2wnh n GLY 54 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2wnh n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wnh s GLU 55 N -0.10 3.20 -0.03 1.61 2.02 -0.50 -4.45 118.70 120.46 2wnh s GLU 55 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2wnh s GLU 55 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2wnh s GLU 55 CO 0.00 -0.04 1.24 -1.17 0.02 0.00 0.00 175.26 175.32 2wnh s LEU 56 N -4.36 4.30 0.71 1.80 2.96 -1.26 -3.91 118.68 118.92 2wnh s LEU 56 Ca 0.44 1.90 -0.11 0.00 -0.22 0.00 0.00 54.13 56.15 2wnh s LEU 56 Cb -0.10 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.05 2wnh s LEU 56 CO 0.35 -0.60 1.07 0.42 -1.32 0.00 0.00 176.35 176.27 2wnh s THR 57 N 2.12 3.88 0.14 3.68 -4.23 -0.27 -4.85 115.64 116.12 2wnh s THR 57 Ca 0.58 0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 61.52 2wnh s THR 57 Cb -0.27 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 2wnh s THR 57 CO 0.24 -0.80 1.74 1.23 -0.54 0.00 0.00 174.62 176.49 2wnh h GLY 58 N -0.78 0.32 0.67 3.99 0.00 -1.95 0.15 103.07 105.46 2wnh h GLY 58 Ca -0.44 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 46.92 2wnh h GLY 58 CO 0.57 0.02 0.58 0.84 0.00 0.00 0.00 176.54 178.55 2wnh h HIS 59 N 0.19 1.07 -0.41 5.60 -0.00 -1.93 -0.64 115.15 119.03 2wnh h HIS 59 Ca 0.12 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2wnh h HIS 59 Cb 0.10 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 2wnh h HIS 59 CO -0.14 0.52 0.22 0.78 -0.00 0.00 0.00 177.93 179.31 2wnh h GLY 60 N 1.03 0.62 0.72 5.26 0.00 -1.54 -0.27 103.07 108.90 2wnh h GLY 60 Ca 0.42 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2wnh h GLY 60 CO -0.19 0.28 -0.00 -1.82 0.00 0.00 0.00 176.54 174.80 2wnh h TYR 61 N 0.54 -0.01 -0.91 5.60 5.03 -0.20 -1.81 116.97 125.21 2wnh h TYR 61 Ca 0.15 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.52 2wnh h TYR 61 Cb 0.07 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.32 2wnh h TYR 61 CO -0.02 -0.03 0.58 0.00 -1.32 0.00 0.00 178.16 177.37 2wnh h ALA 62 N 1.16 1.24 -0.36 1.82 0.00 -0.75 0.11 119.26 122.48 2wnh h ALA 62 Ca 0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2wnh h ALA 62 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wnh h ALA 62 CO -0.15 0.37 -0.34 0.00 0.00 0.00 0.00 179.25 179.13 2wnh h ALA 63 N 1.41 0.72 -0.45 0.00 0.00 -0.81 -1.98 119.26 118.14 2wnh h ALA 63 Ca 0.38 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2wnh h ALA 63 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2wnh h ALA 63 CO -0.16 0.66 -0.05 0.28 0.00 0.00 0.00 179.25 179.98 2wnh h VAL 64 N 0.68 1.27 -0.63 0.00 2.07 -0.76 -2.56 116.25 116.32 2wnh h VAL 64 Ca 0.07 -1.14 0.11 0.00 0.82 0.00 0.00 66.70 66.56 2wnh h VAL 64 Cb 0.89 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 2wnh h VAL 64 CO 0.08 0.39 0.18 0.58 0.02 0.00 0.00 177.57 178.82 2wnh h VAL 65 N 0.68 0.68 -0.19 2.57 2.07 -0.84 0.55 116.25 121.76 2wnh h VAL 65 Ca 0.12 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2wnh h VAL 65 Cb 0.57 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2wnh h VAL 65 CO 0.03 0.06 0.07 0.78 0.02 0.00 0.00 177.57 178.54 2wnh h ASN 66 N 0.33 0.09 -0.26 0.57 2.35 -1.09 0.16 115.58 117.72 2wnh h ASN 66 Ca 0.33 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2wnh h ASN 66 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2wnh h ASN 66 CO -0.38 0.08 0.15 0.50 -1.65 0.00 0.00 177.43 176.13 2wnh h LYS 67 N 0.17 0.35 -0.37 0.81 3.11 -1.11 -2.65 116.57 116.88 2wnh h LYS 67 Ca 0.08 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2wnh h LYS 67 Cb 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 2wnh h LYS 67 CO -0.08 0.29 0.09 0.78 -2.81 0.00 0.00 179.45 177.72 2wnh h GLY 68 N 0.32 0.57 0.86 5.01 0.00 -0.50 -1.39 103.07 107.94 2wnh h GLY 68 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2wnh h GLY 68 CO -0.02 0.28 0.05 -0.09 0.00 0.00 0.00 176.54 176.77 2wnh h ARG 69 N 0.53 0.31 -0.25 4.80 2.43 -0.48 -0.17 114.38 121.54 2wnh h ARG 69 Ca 0.12 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2wnh h ARG 69 Cb 0.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2wnh h ARG 69 CO -0.00 0.42 -0.32 0.93 -1.51 0.00 0.00 179.97 179.49 2wnh h GLU 70 N 0.13 0.51 -0.34 0.20 4.39 -1.29 -2.40 114.58 115.79 2wnh h GLU 70 Ca 0.06 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2wnh h GLU 70 Cb 0.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2wnh h GLU 70 CO -0.00 0.77 0.08 1.49 -1.16 0.00 0.00 179.01 180.19 2wnh h GLU 71 N 0.44 0.55 -0.64 2.33 4.81 -1.01 -1.37 114.58 119.69 2wnh h GLU 71 Ca 0.05 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2wnh h GLU 71 Cb 0.77 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2wnh h GLU 71 CO 0.06 0.61 0.40 0.78 -0.73 0.00 0.00 179.01 180.13 2wnh h GLY 72 N 0.39 0.91 0.99 1.92 0.00 -0.94 -0.71 103.07 105.63 2wnh h GLY 72 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2wnh h GLY 72 CO 0.00 0.26 0.30 1.46 0.00 0.00 0.00 176.54 178.56 2wnh h GLN 73 N 0.79 0.82 0.12 4.80 4.20 -1.26 -1.00 115.11 123.58 2wnh h GLN 73 Ca 0.25 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2wnh h GLN 73 Cb 0.00 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2wnh h GLN 73 CO -0.09 0.65 -0.06 1.25 -0.67 0.00 0.00 178.83 179.91 2wnh h HIS 74 N 0.79 -0.15 0.00 2.96 2.76 -0.85 -0.52 115.15 120.14 2wnh h HIS 74 Ca 0.20 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2wnh h HIS 74 Cb 0.08 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2wnh h HIS 74 CO -0.01 -0.04 -0.22 1.88 -1.30 0.00 0.00 177.93 178.24 2wnh h TYR 75 N -0.23 0.00 -0.31 5.26 0.05 -1.05 -1.26 116.97 119.43 2wnh h TYR 75 Ca -0.02 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 2wnh h TYR 75 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2wnh h TYR 75 CO -0.05 0.22 -0.23 0.00 -1.05 0.00 0.00 178.16 177.06 2wnh h ARG 76 N 0.00 0.70 -0.66 4.88 3.08 -0.97 -1.74 114.38 119.68 2wnh h ARG 76 Ca -0.00 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.73 2wnh h ARG 76 Cb 0.78 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 2wnh h ARG 76 CO 0.03 0.95 0.44 0.37 -1.07 0.00 0.00 179.97 180.69 2wnh h GLN 77 N 0.46 0.82 -0.00 0.04 4.15 -0.61 -1.21 115.11 118.76 2wnh h GLN 77 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wnh h GLN 77 Cb 0.78 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2wnh h GLN 77 CO 0.06 0.54 -0.00 1.28 -1.93 0.00 0.00 178.83 178.78 2wnh n LEU 78 N -4.45 0.00 0.00 -2.39 4.77 -0.52 -4.91 117.00 109.50 2wnh n LEU 78 Ca 0.08 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2wnh n LEU 78 Cb 0.08 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wnh n LEU 78 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wnh n GLY 79 N 1.21 0.45 0.16 -0.72 0.00 -0.46 -4.58 105.19 101.25 2wnh n GLY 79 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2wnh n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wnh h LEU 80 N 0.00 0.47 -9.29 0.99 5.85 -1.57 -3.44 115.31 108.33 2wnh h LEU 80 Ca 0.00 -0.40 -0.67 0.00 0.84 0.00 0.00 57.88 57.65 2wnh h LEU 80 Cb 0.19 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 40.94 2wnh h LEU 80 CO 0.00 0.77 -0.60 -0.76 -0.34 0.00 0.00 178.44 177.50 2wnh s LEU 81 N -9.26 3.67 0.78 2.25 1.43 -0.92 -4.92 118.68 111.71 2wnh s LEU 81 Ca -0.14 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2wnh s LEU 81 Cb 0.07 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.50 2wnh s LEU 81 CO 0.76 0.36 1.11 0.00 0.23 0.00 0.00 176.35 178.81 2wnh s GLN 82 N -0.75 2.11 0.57 1.70 -2.07 -1.26 -4.37 119.66 115.59 2wnh s GLN 82 Ca 0.12 1.29 -0.20 0.00 -1.82 0.00 0.00 55.36 54.75 2wnh s GLN 82 Cb -0.12 -1.87 -0.04 0.00 -1.09 0.00 0.00 33.01 29.89 2wnh s GLN 82 CO 0.02 -1.77 1.31 0.00 -1.32 0.00 0.00 175.29 173.54 2wnh s ALA 83 N -2.74 2.68 0.00 2.60 0.00 -1.26 -4.81 121.76 118.23 2wnh s ALA 83 Ca 0.64 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2wnh s ALA 83 Cb -0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2wnh s ALA 83 CO 0.54 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2wnh n GLY 84 N 0.73 0.04 3.84 0.00 0.00 -1.26 -4.87 105.19 103.67 2wnh n GLY 84 Ca 0.12 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2wnh n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnh s PRO 86 N -3.30 2.17 0.56 0.00 0.04 -1.26 -4.99 135.00 128.22 2wnh s PRO 86 Ca 0.57 0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.92 2wnh s PRO 86 Cb -0.10 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2wnh s PRO 86 CO 0.20 -1.48 0.40 0.95 0.04 0.00 0.00 177.00 177.11 2wnh s THR 87 N -3.46 1.49 0.60 1.26 -4.23 -1.26 -4.98 115.64 105.07 2wnh s THR 87 Ca 0.61 -1.51 0.35 0.00 -1.18 0.00 0.00 61.69 59.96 2wnh s THR 87 Cb -0.12 -2.00 0.39 0.00 1.34 0.00 0.00 72.50 72.11 2wnh s THR 87 CO 0.51 0.00 2.29 0.00 -0.54 0.00 0.00 174.62 176.88 2wnh h ALA 88 N 0.70 1.31 -0.00 3.99 0.00 -1.98 -1.48 119.26 121.80 2wnh h ALA 88 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wnh h ALA 88 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wnh h ALA 88 CO 0.57 0.01 -0.29 0.39 0.00 0.00 0.00 179.25 179.92 2wnh n GLU 89 N -3.54 0.49 -0.04 0.00 1.02 -1.26 -4.26 120.64 113.05 2wnh n GLU 89 Ca -0.03 -0.26 -0.15 0.00 -0.02 0.00 0.00 57.16 56.71 2wnh n GLU 89 Cb 0.09 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 2wnh n GLU 89 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2wnh h SER 90 N 0.63 0.08 -4.91 1.62 0.02 -1.56 -1.72 113.55 107.71 2wnh h SER 90 Ca 0.00 -0.86 -0.10 0.00 -0.84 0.00 0.00 61.79 59.99 2wnh h SER 90 Cb 0.48 -0.03 -0.20 0.00 0.14 0.00 0.00 62.40 62.79 2wnh h SER 90 CO 0.00 0.94 -0.14 -0.51 -1.14 0.00 0.00 176.83 175.98 2wnh s ILE 91 N -2.77 0.04 -0.05 3.27 2.07 -1.25 -1.56 121.20 120.95 2wnh s ILE 91 Ca -0.17 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 2wnh s ILE 91 Cb -0.01 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.88 2wnh s ILE 91 CO 0.71 -0.17 -0.02 -0.47 -1.91 0.00 0.00 174.94 173.08 2wnh s TYR 92 N -1.17 0.63 -0.19 3.50 5.04 -0.62 -4.87 117.35 119.67 2wnh s TYR 92 Ca -0.12 -0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.34 2wnh s TYR 92 Cb -0.04 -0.63 -0.00 0.00 0.35 0.00 0.00 41.96 41.64 2wnh s TYR 92 CO 0.06 -0.20 -0.11 0.08 -1.34 0.00 0.00 175.55 174.03 2wnh s VAL 93 N 1.15 2.91 -0.18 3.14 1.01 -1.26 -1.26 120.40 125.92 2wnh s VAL 93 Ca -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2wnh s VAL 93 Cb -0.14 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2wnh s VAL 93 CO -0.01 0.48 -0.20 -0.60 0.00 0.00 0.00 175.10 174.77 2wnh s ARG 94 N 1.22 3.00 0.01 2.72 3.52 0.22 -1.29 118.95 128.36 2wnh s ARG 94 Ca 0.02 -0.82 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 2wnh s ARG 94 Cb -0.14 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2wnh s ARG 94 CO -0.04 -0.20 -0.13 0.00 -0.81 0.00 0.00 175.30 174.12 2wnh s ALA 95 N 1.28 2.78 0.38 6.12 0.00 0.17 -1.27 121.76 131.22 2wnh s ALA 95 Ca 0.05 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 2wnh s ALA 95 Cb -0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 23.12 21.92 2wnh s ALA 95 CO -0.12 0.59 0.86 0.45 0.00 0.00 0.00 175.76 177.54 2wnh n SER 96 N 1.72 0.59 0.00 0.00 2.88 -0.11 -4.40 113.62 114.30 2wnh n SER 96 Ca -0.16 1.04 0.07 0.00 -1.33 0.00 0.00 58.87 58.49 2wnh n SER 96 Cb 0.52 -1.26 0.37 0.00 -0.75 0.00 0.00 64.21 63.09 2wnh n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wnh n PRO 97 N 0.42 0.15 -1.93 -1.46 -0.04 -1.26 -3.64 135.00 127.24 2wnh n PRO 97 Ca 0.10 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.36 2wnh n PRO 97 Cb 0.37 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 2wnh n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wnh s LEU 98 N -2.72 3.81 0.24 1.53 1.02 -1.26 -4.83 118.68 116.48 2wnh s LEU 98 Ca 0.12 2.58 -0.05 0.00 0.02 0.00 0.00 54.13 56.80 2wnh s LEU 98 Cb 0.10 -4.37 0.43 0.00 0.02 0.00 0.00 46.19 42.37 2wnh s LEU 98 CO 0.25 -1.49 1.74 -0.61 0.02 0.00 0.00 176.35 176.25 2wnh h GLN 99 N 1.36 0.44 -0.25 1.70 -0.00 -1.91 -1.65 115.11 114.80 2wnh h GLN 99 Ca -0.50 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.04 2wnh h GLN 99 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 2wnh h GLN 99 CO 0.57 0.29 -0.18 0.07 0.00 0.00 0.00 178.83 179.58 2wnh h ARG 100 N 0.46 0.45 0.21 1.69 0.11 -1.91 0.26 114.38 115.63 2wnh h ARG 100 Ca 0.40 -0.14 -0.30 0.00 0.10 0.00 0.00 59.98 60.04 2wnh h ARG 100 Cb 0.58 -0.04 0.03 0.00 1.11 0.00 0.00 29.97 31.66 2wnh h ARG 100 CO -0.38 0.61 -1.32 1.79 0.10 0.00 0.00 179.97 180.77 2wnh h THR 101 N 0.41 1.32 -0.19 0.08 1.35 -1.75 -2.33 112.91 111.79 2wnh h THR 101 Ca 0.07 -2.61 0.04 0.00 -0.55 0.00 0.00 66.41 63.36 2wnh h THR 101 Cb 0.55 2.99 -0.03 0.00 -1.73 0.00 0.00 68.15 69.92 2wnh h THR 101 CO 0.04 0.78 -0.03 0.03 -0.25 0.00 0.00 175.52 176.09 2wnh h ARG 102 N 0.09 0.02 -0.72 4.72 3.08 -1.07 -1.10 114.38 119.40 2wnh h ARG 102 Ca -0.22 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2wnh h ARG 102 Cb 2.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 32.03 2wnh h ARG 102 CO 0.25 0.02 0.34 0.00 -1.07 0.00 0.00 179.97 179.50 2wnh h ALA 103 N 1.18 1.24 -0.57 0.04 0.00 -1.03 -1.85 119.26 118.27 2wnh h ALA 103 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2wnh h ALA 103 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wnh h ALA 103 CO -0.18 0.58 0.09 1.15 0.00 0.00 0.00 179.25 180.89 2wnh h THR 104 N 1.02 1.26 -0.50 0.00 2.02 -1.16 -1.63 112.91 113.93 2wnh h THR 104 Ca 0.25 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.49 2wnh h THR 104 Cb 0.12 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2wnh h THR 104 CO -0.03 0.36 0.26 0.00 0.37 0.00 0.00 175.52 176.48 2wnh h ALA 105 N 1.00 0.63 -0.43 6.16 0.00 -0.80 -1.33 119.26 124.49 2wnh h ALA 105 Ca 0.17 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2wnh h ALA 105 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wnh h ALA 105 CO 0.01 -0.08 0.23 1.96 0.00 0.00 0.00 179.25 181.36 2wnh h GLN 106 N 0.51 0.44 -0.92 0.00 4.20 -1.18 -2.70 115.11 115.47 2wnh h GLN 106 Ca 0.22 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2wnh h GLN 106 Cb 0.11 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2wnh h GLN 106 CO -0.14 0.29 0.60 0.00 -0.67 0.00 0.00 178.83 178.91 2wnh h ALA 107 N 1.22 1.39 -0.25 3.87 0.00 -0.80 0.33 119.26 125.02 2wnh h ALA 107 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wnh h ALA 107 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2wnh h ALA 107 CO -0.12 0.54 0.06 -0.07 0.00 0.00 0.00 179.25 179.66 2wnh h LEU 108 N 1.19 0.38 -0.09 0.00 3.38 -0.94 -1.52 115.31 117.72 2wnh h LEU 108 Ca 0.35 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2wnh h LEU 108 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wnh h LEU 108 CO -0.10 0.51 -0.31 -0.37 0.09 0.00 0.00 178.44 178.26 2wnh h VAL 109 N 0.24 0.54 -0.63 1.22 -1.51 -1.33 -0.94 116.25 113.84 2wnh h VAL 109 Ca 0.08 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 2wnh h VAL 109 Cb 0.27 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2wnh h VAL 109 CO 0.00 0.30 0.41 -0.78 -1.23 0.00 0.00 177.57 176.28 2wnh h ASP 110 N 0.00 0.73 -0.02 4.19 1.82 -0.76 -0.81 116.42 121.57 2wnh h ASP 110 Ca -0.00 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2wnh h ASP 110 Cb 1.21 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2wnh h ASP 110 CO 0.04 0.54 -0.19 1.23 -1.61 0.00 0.00 179.24 179.25 2wnh h GLY 111 N 0.86 0.18 1.87 -0.78 0.00 -1.11 -3.32 103.07 100.76 2wnh h GLY 111 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2wnh h GLY 111 CO -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 176.54 176.44 2wnh h ALA 112 N 0.32 1.34 -2.44 3.60 0.00 -1.03 -3.30 119.26 117.73 2wnh h ALA 112 Ca -0.02 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.98 2wnh h ALA 112 Cb 0.90 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.22 2wnh h ALA 112 CO 0.04 0.47 -0.86 1.19 0.00 0.00 0.00 179.25 180.09 2wnh n PHE 113 N -4.14 0.77 -1.68 0.00 3.72 -0.31 -4.60 117.46 111.23 2wnh n PHE 113 Ca -0.01 -3.71 -0.47 0.00 -0.05 0.00 0.00 57.45 53.20 2wnh n PHE 113 Cb 0.38 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 2wnh n PHE 113 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wnh n PRO 114 N 2.08 2.20 -1.11 -1.08 -0.02 -1.25 -2.01 135.00 133.80 2wnh n PRO 114 Ca 0.26 0.80 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 2wnh n PRO 114 Cb 0.45 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 2wnh n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnh n GLY 115 N 4.09 0.61 0.43 -1.23 0.00 -1.26 -4.91 105.19 102.92 2wnh n GLY 115 Ca 0.21 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2wnh n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnh n GLY 117 N 1.13 -0.48 3.71 0.00 0.00 -1.26 -4.91 105.19 103.37 2wnh n GLY 117 Ca 0.19 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2wnh n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wnh s VAL 118 N -3.34 4.41 0.44 1.61 1.01 -1.26 -5.02 120.40 118.26 2wnh s VAL 118 Ca 0.59 1.73 -0.07 0.00 0.00 0.00 0.00 61.98 64.23 2wnh s VAL 118 Cb -0.29 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2wnh s VAL 118 CO 0.82 0.11 0.76 0.00 0.00 0.00 0.00 175.10 176.80 2wnh s ALA 119 N 1.22 3.39 0.41 5.51 0.00 -1.26 -4.90 121.76 126.12 2wnh s ALA 119 Ca 0.55 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2wnh s ALA 119 Cb -0.25 -2.62 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2wnh s ALA 119 CO 0.27 -0.17 0.02 0.96 0.00 0.00 0.00 175.76 176.84 2wnh s ILE 120 N -2.55 2.06 0.01 0.00 -4.36 -1.26 -4.71 121.20 110.40 2wnh s ILE 120 Ca 0.49 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2wnh s ILE 120 Cb -0.10 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.62 2wnh s ILE 120 CO 0.38 -0.02 -0.12 -1.00 0.24 0.00 0.00 174.94 174.43 2wnh s HIS 121 N -2.69 1.05 0.08 1.37 3.76 -0.41 -5.04 115.29 113.41 2wnh s HIS 121 Ca 0.36 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.84 2wnh s HIS 121 Cb 0.09 -0.65 0.03 0.00 1.11 0.00 0.00 32.58 33.16 2wnh s HIS 121 CO 0.18 -0.00 0.37 1.52 -0.85 0.00 0.00 174.74 175.96 2wnh s TYR 122 N -0.55 -0.17 0.52 1.40 1.13 -1.26 -0.66 117.35 117.75 2wnh s TYR 122 Ca 0.02 -0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 55.44 2wnh s TYR 122 Cb -0.06 0.18 -0.06 0.00 -1.10 0.00 0.00 41.96 40.92 2wnh s TYR 122 CO 0.00 -0.60 1.29 0.00 -2.51 0.00 0.00 175.55 173.73 2wnh n ALA 123 N 0.22 1.36 -0.10 9.51 0.00 -1.26 -4.95 120.51 125.29 2wnh n ALA 123 Ca -0.17 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2wnh n ALA 123 Cb 0.61 -2.31 0.13 0.00 0.00 0.00 0.00 19.45 17.89 2wnh n ALA 123 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wnh h ASN 124 N 1.50 0.76 -1.26 0.00 2.35 -1.94 -3.46 115.58 113.54 2wnh h ASN 124 Ca -0.50 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 2wnh h ASN 124 Cb 1.31 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2wnh h ASN 124 CO 0.57 0.88 0.00 0.61 -1.65 0.00 0.00 177.43 177.85 2wnh n GLY 125 N -0.48 -0.19 0.39 2.83 0.00 -1.26 -4.99 105.19 101.49 2wnh n GLY 125 Ca 0.01 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.42 2wnh n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wnh n ASP 126 N -1.14 1.30 -3.72 1.61 8.00 -1.26 -4.87 116.55 116.47 2wnh n ASP 126 Ca 0.00 -1.28 -0.20 0.00 0.71 0.00 0.00 54.79 54.01 2wnh n ASP 126 Cb 0.00 0.04 -0.18 0.00 -0.02 0.00 0.00 41.12 40.96 2wnh n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wnh s ALA 127 N -2.16 0.36 -0.22 2.24 0.00 -1.26 -4.87 121.76 115.86 2wnh s ALA 127 Ca 0.34 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 2wnh s ALA 127 Cb 0.20 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2wnh s ALA 127 CO 0.39 -0.43 0.12 0.34 0.00 0.00 0.00 175.76 176.18 2wnh s ASP 128 N 1.97 5.86 0.18 0.00 -1.08 -1.26 -4.96 116.67 117.38 2wnh s ASP 128 Ca 0.03 0.08 0.16 0.00 -0.52 0.00 0.00 52.55 52.30 2wnh s ASP 128 Cb -0.12 -2.04 0.77 0.00 -1.46 0.00 0.00 42.92 40.07 2wnh s ASP 128 CO -0.04 0.10 1.51 -0.81 0.52 0.00 0.00 175.17 176.45 2wnh n PRO 129 N 4.04 0.10 0.08 4.34 -0.04 -1.26 -0.60 135.00 141.67 2wnh n PRO 129 Ca -0.16 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 63.72 2wnh n PRO 129 Cb 0.52 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2wnh n PRO 129 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wnh h LEU 130 N 0.00 0.05 0.00 1.53 3.38 -1.94 -3.42 115.31 114.91 2wnh h LEU 130 Ca 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2wnh h LEU 130 Cb 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wnh h LEU 130 CO 0.00 0.92 -1.12 0.49 0.09 0.00 0.00 178.44 178.81 2wnh n PHE 131 N -3.51 0.00 -1.94 1.13 3.72 -0.26 -4.48 117.46 112.12 2wnh n PHE 131 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 2wnh n PHE 131 Cb 0.84 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 39.19 2wnh n PHE 131 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wnh n GLN 132 N -3.32 4.41 0.26 -1.08 3.00 0.23 -4.76 117.38 116.11 2wnh n GLN 132 Ca -0.10 -3.31 0.13 0.00 -0.01 0.00 0.00 57.00 53.71 2wnh n GLN 132 Cb 0.50 -2.68 0.70 0.00 0.00 0.00 0.00 30.24 28.76 2wnh n GLN 132 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2wnh h THR 133 N 2.75 0.48 0.00 5.09 1.35 -1.81 -1.83 112.91 118.94 2wnh h THR 133 Ca 0.70 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2wnh h THR 133 Cb 0.33 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2wnh h THR 133 CO 1.53 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 176.02 2wnh n ASP 134 N -3.51 0.00 -1.19 5.36 5.75 -1.26 -2.56 116.55 119.14 2wnh n ASP 134 Ca -0.01 0.22 0.10 0.00 -0.01 0.00 0.00 54.79 55.09 2wnh n ASP 134 Cb 0.27 -0.36 0.28 0.00 -1.03 0.00 0.00 41.12 40.29 2wnh n ASP 134 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wnh n LYS 135 N -1.36 2.49 -4.01 0.11 4.76 -0.69 -4.82 118.16 114.65 2wnh n LYS 135 Ca 0.06 -2.32 -0.20 0.00 -2.87 0.00 0.00 58.31 52.97 2wnh n LYS 135 Cb 0.13 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 31.65 2wnh n LYS 135 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wnh s PHE 136 N -1.14 0.66 0.24 2.13 0.40 -1.06 -5.07 117.98 114.14 2wnh s PHE 136 Ca 0.43 -0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.55 2wnh s PHE 136 Cb 0.22 -0.66 0.45 0.00 0.51 0.00 0.00 43.02 43.54 2wnh s PHE 136 CO 0.29 -0.22 1.71 0.00 0.70 0.00 0.00 175.22 177.70 2wnh h ALA 137 N 7.52 0.98 0.00 5.36 0.00 -1.89 -0.69 119.26 130.54 2wnh h ALA 137 Ca -0.34 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2wnh h ALA 137 Cb 1.14 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wnh h ALA 137 CO 0.41 -0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.29 2wnh h ALA 138 N 1.57 1.19 0.00 0.00 0.00 -1.91 -3.04 119.26 117.07 2wnh h ALA 138 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2wnh h ALA 138 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wnh h ALA 138 CO -0.45 0.11 -0.06 0.25 0.00 0.00 0.00 179.25 179.10 2wnh n THR 139 N -3.47 1.91 -3.85 0.00 -2.24 -0.30 -4.31 114.28 102.01 2wnh n THR 139 Ca -0.02 -2.36 -0.32 0.00 -2.27 0.00 0.00 64.05 59.09 2wnh n THR 139 Cb 0.23 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 2wnh n THR 139 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wnh s GLN 140 N -2.90 3.49 0.56 -0.78 -0.21 -0.97 -3.94 119.66 114.91 2wnh s GLN 140 Ca 0.32 -0.31 -0.17 0.00 0.02 0.00 0.00 55.36 55.22 2wnh s GLN 140 Cb 0.29 -3.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 2wnh s GLN 140 CO 0.02 0.60 1.05 0.95 -2.12 0.00 0.00 175.29 175.79 2wnh s THR 141 N -1.48 3.85 -0.05 -0.19 -4.23 -1.26 -4.92 115.64 107.37 2wnh s THR 141 Ca 0.34 0.95 -0.25 0.00 -1.18 0.00 0.00 61.69 61.55 2wnh s THR 141 Cb -0.13 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 2wnh s THR 141 CO 0.24 -0.44 0.78 -0.62 -0.54 0.00 0.00 174.62 174.04 2wnh s ASP 142 N -2.57 7.10 0.24 3.99 2.15 -1.26 -5.00 116.67 121.32 2wnh s ASP 142 Ca 0.64 1.33 -0.05 0.00 0.43 0.00 0.00 52.55 54.90 2wnh s ASP 142 Cb -0.16 -2.46 0.38 0.00 -0.30 0.00 0.00 42.92 40.38 2wnh s ASP 142 CO 0.32 -0.16 1.78 -0.65 -0.17 0.00 0.00 175.17 176.29 2wnh h PRO 143 N 6.77 0.64 -0.32 4.34 0.11 -1.96 0.84 132.00 142.42 2wnh h PRO 143 Ca -0.41 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 2wnh h PRO 143 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2wnh h PRO 143 CO 0.75 0.42 -0.14 0.00 -0.21 0.00 0.00 178.00 178.83 2wnh h ALA 144 N 1.45 0.45 -0.67 -0.75 0.00 -1.96 -1.02 119.26 116.76 2wnh h ALA 144 Ca 0.38 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2wnh h ALA 144 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wnh h ALA 144 CO -0.28 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.43 2wnh h ARG 145 N 0.43 1.09 -0.28 0.00 3.08 -1.90 -1.66 114.38 115.14 2wnh h ARG 145 Ca 0.07 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2wnh h ARG 145 Cb 0.66 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2wnh h ARG 145 CO 0.04 0.99 -0.03 0.37 -1.07 0.00 0.00 179.97 180.27 2wnh h GLN 146 N 1.02 0.51 -0.37 0.04 4.15 -0.76 -1.29 115.11 118.42 2wnh h GLN 146 Ca 0.21 -0.18 0.04 0.00 0.77 0.00 0.00 58.65 59.49 2wnh h GLN 146 Cb 0.42 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 2wnh h GLN 146 CO 0.01 0.69 0.13 1.25 -1.93 0.00 0.00 178.83 178.98 2wnh h LEU 147 N 0.28 0.15 -0.69 -2.39 5.85 -1.09 -1.06 115.31 116.36 2wnh h LEU 147 Ca 0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2wnh h LEU 147 Cb 0.48 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2wnh h LEU 147 CO 0.02 0.12 0.33 0.00 -0.34 0.00 0.00 178.44 178.57 2wnh h ALA 148 N 1.23 0.89 -0.39 1.25 0.00 -1.19 -1.39 119.26 119.65 2wnh h ALA 148 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wnh h ALA 148 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wnh h ALA 148 CO -0.17 0.45 0.22 0.00 0.00 0.00 0.00 179.25 179.75 2wnh h ALA 149 N 1.16 0.50 -0.13 0.00 0.00 -0.85 0.25 119.26 120.18 2wnh h ALA 149 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wnh h ALA 149 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wnh h ALA 149 CO -0.03 0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.51 2wnh h VAL 150 N 0.50 1.26 -0.63 0.00 2.07 -1.11 -1.48 116.25 116.88 2wnh h VAL 150 Ca 0.14 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.88 2wnh h VAL 150 Cb 0.05 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 2wnh h VAL 150 CO -0.02 0.25 0.25 0.11 0.02 0.00 0.00 177.57 178.18 2wnh h LYS 151 N -0.04 0.43 -0.62 1.57 1.57 -1.15 0.89 116.57 119.22 2wnh h LYS 151 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2wnh h LYS 151 Cb 0.39 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2wnh h LYS 151 CO 0.01 0.28 0.28 1.49 -0.57 0.00 0.00 179.45 180.94 2wnh h GLU 152 N 0.44 0.90 -0.02 3.15 4.81 -0.80 -2.19 114.58 120.86 2wnh h GLU 152 Ca 0.31 -0.14 -0.26 0.00 -0.13 0.00 0.00 59.36 59.15 2wnh h GLU 152 Cb 0.38 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.62 2wnh h GLU 152 CO -0.30 0.73 -1.00 -0.22 -0.73 0.00 0.00 179.01 177.50 2wnh h LYS 153 N 0.85 0.69 -0.82 1.92 3.64 -0.87 -3.30 116.57 118.68 2wnh h LYS 153 Ca 0.21 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2wnh h LYS 153 Cb 0.14 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2wnh h LYS 153 CO -0.02 1.30 0.51 0.00 -2.27 0.00 0.00 179.45 178.97 2wnh h ALA 154 N 0.46 1.04 -0.81 5.00 0.00 -0.76 -3.47 119.26 120.71 2wnh h ALA 154 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wnh h ALA 154 Cb 1.64 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wnh h ALA 154 CO 0.19 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2wnh n GLY 155 N -1.25 3.19 3.55 0.00 0.00 -0.83 -4.12 105.19 105.74 2wnh n GLY 155 Ca 0.08 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2wnh n GLY 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wnh s ASP 156 N -4.00 6.21 0.41 1.61 -1.08 -1.26 -4.85 116.67 113.71 2wnh s ASP 156 Ca 0.00 -0.72 0.21 0.00 -0.52 0.00 0.00 52.55 51.51 2wnh s ASP 156 Cb 0.00 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.74 2wnh s ASP 156 CO 0.00 -1.78 1.81 -0.07 0.52 0.00 0.00 175.17 175.65 2wnh h LEU 157 N 13.17 0.00 -0.86 -1.34 3.38 -1.86 -2.57 115.31 125.22 2wnh h LEU 157 Ca -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2wnh h LEU 157 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2wnh h LEU 157 CO 1.32 0.31 0.42 0.00 0.09 0.00 0.00 178.44 180.58 2wnh h ALA 158 N 1.69 1.11 -0.48 1.53 0.00 -1.89 -0.57 119.26 120.66 2wnh h ALA 158 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2wnh h ALA 158 Cb 0.77 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2wnh h ALA 158 CO 0.04 0.67 -0.11 0.37 0.00 0.00 0.00 179.25 180.22 2wnh h GLN 159 N 1.23 0.92 -0.85 0.00 4.15 -1.88 -1.42 115.11 117.25 2wnh h GLN 159 Ca 0.30 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.38 2wnh h GLN 159 Cb 0.11 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2wnh h GLN 159 CO -0.04 1.00 0.56 0.00 -1.93 0.00 0.00 178.83 178.43 2wnh h ARG 160 N 0.76 1.12 -0.41 1.69 3.08 -1.19 -0.20 114.38 119.23 2wnh h ARG 160 Ca 0.12 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 2wnh h ARG 160 Cb 0.66 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2wnh h ARG 160 CO 0.05 0.74 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.44 2wnh h ARG 161 N 1.15 0.83 -0.49 0.04 2.43 -0.97 -2.75 114.38 114.64 2wnh h ARG 161 Ca 0.31 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2wnh h ARG 161 Cb -0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2wnh h ARG 161 CO -0.07 0.98 -0.03 0.37 -1.51 0.00 0.00 179.97 179.71 2wnh h GLN 162 N 0.65 0.83 0.00 0.20 5.75 -1.05 -2.59 115.11 118.91 2wnh h GLN 162 Ca 0.10 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 2wnh h GLN 162 Cb 0.71 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2wnh h GLN 162 CO 0.05 0.85 -0.14 0.00 -2.65 0.00 0.00 178.83 176.95 2wnh h ALA 163 N 1.20 1.40 -0.60 3.38 0.00 -0.87 -2.62 119.26 121.15 2wnh h ALA 163 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wnh h ALA 163 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wnh h ALA 163 CO 0.03 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2wnh n LEU 164 N -3.83 3.96 -0.24 0.00 4.77 -1.01 -4.67 117.00 115.99 2wnh n LEU 164 Ca -0.02 -2.18 0.03 0.00 -0.03 0.00 0.00 56.01 53.81 2wnh n LEU 164 Cb 0.24 -0.46 0.15 0.00 -2.33 0.00 0.00 43.42 41.02 2wnh n LEU 164 CO 0.32 0.87 1.00 0.00 -1.33 0.00 0.00 177.39 178.25 2wnh h ALA 165 N 3.61 0.94 -0.80 -1.18 0.00 -1.12 0.66 119.26 121.37 2wnh h ALA 165 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wnh h ALA 165 Cb 1.09 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2wnh h ALA 165 CO 0.08 -0.20 0.49 -1.35 0.00 0.00 0.00 179.25 178.27 2wnh h PRO 166 N 0.43 1.08 -0.23 0.00 0.11 -1.84 -0.96 132.00 130.59 2wnh h PRO 166 Ca 0.37 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 2wnh h PRO 166 Cb 0.52 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2wnh h PRO 166 CO -0.37 0.75 -0.17 1.15 -0.21 0.00 0.00 178.00 179.15 2wnh h THR 167 N 1.10 1.31 -0.93 -1.15 2.02 -1.56 -2.21 112.91 111.49 2wnh h THR 167 Ca 0.29 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 66.25 2wnh h THR 167 Cb -0.06 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 2wnh h THR 167 CO -0.06 0.40 0.59 0.40 0.37 0.00 0.00 175.52 177.22 2wnh h ILE 168 N 0.23 1.04 -0.49 3.11 2.04 -0.63 -1.42 117.51 121.38 2wnh h ILE 168 Ca 0.05 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2wnh h ILE 168 Cb 0.69 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2wnh h ILE 168 CO 0.04 0.19 0.11 -0.61 0.00 0.00 0.00 178.15 177.89 2wnh h GLN 169 N 1.05 0.79 -0.92 2.37 5.75 -1.05 -0.10 115.11 123.01 2wnh h GLN 169 Ca 0.41 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 2wnh h GLN 169 Cb 0.21 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 2wnh h GLN 169 CO -0.19 0.78 0.60 -0.07 -2.65 0.00 0.00 178.83 177.30 2wnh h LEU 170 N 0.68 1.02 -0.33 -2.39 3.38 -0.91 -1.07 115.31 115.69 2wnh h LEU 170 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2wnh h LEU 170 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wnh h LEU 170 CO 0.00 0.71 0.09 0.25 0.09 0.00 0.00 178.44 179.59 2wnh h LEU 171 N 1.19 0.49 -0.64 1.67 5.85 -0.79 -2.69 115.31 120.39 2wnh h LEU 171 Ca 0.36 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2wnh h LEU 171 Cb -0.05 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2wnh h LEU 171 CO -0.10 0.58 0.36 0.50 -0.34 0.00 0.00 178.44 179.43 2wnh h LYS 172 N 0.38 0.64 -0.80 1.25 3.64 -0.66 -1.41 116.57 119.62 2wnh h LYS 172 Ca 0.10 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2wnh h LYS 172 Cb 0.27 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 2wnh h LYS 172 CO -0.00 0.43 0.52 1.96 -2.27 0.00 0.00 179.45 180.09 2wnh h GLN 173 N 0.66 0.88 -0.04 1.90 4.20 -1.14 -1.34 115.11 120.24 2wnh h GLN 173 Ca 0.29 -0.05 -0.24 0.00 0.06 0.00 0.00 58.65 58.71 2wnh h GLN 173 Cb 0.17 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.76 2wnh h GLN 173 CO -0.18 0.58 -0.93 0.00 -0.67 0.00 0.00 178.83 177.64 2wnh h ALA 174 N 1.56 0.29 0.00 3.87 0.00 -0.95 -3.41 119.26 120.62 2wnh h ALA 174 Ca 0.33 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wnh h ALA 174 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wnh h ALA 174 CO -0.11 0.74 -1.17 1.33 0.00 0.00 0.00 179.25 180.03 2wnh n VAL 175 N -3.83 0.00 -3.48 0.00 0.24 -0.68 -4.71 118.33 105.87 2wnh n VAL 175 Ca -0.08 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 2wnh n VAL 175 Cb 0.82 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 2wnh n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wnh s GLN 177 N -0.80 4.50 0.33 0.00 -0.21 -1.26 -4.89 119.66 117.33 2wnh s GLN 177 Ca 0.24 1.85 -0.28 0.00 0.02 0.00 0.00 55.36 57.18 2wnh s GLN 177 Cb -0.16 -3.25 -0.12 0.00 1.00 0.00 0.00 33.01 30.47 2wnh s GLN 177 CO 0.13 -0.08 1.30 0.00 -2.12 0.00 0.00 175.29 174.51 2wnh n ALA 178 N 2.62 1.25 -2.29 6.09 0.00 -1.26 -2.84 120.51 124.08 2wnh n ALA 178 Ca 0.05 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 2wnh n ALA 178 Cb 0.45 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2wnh n ALA 178 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wnh n ASP 179 N 0.98 -5.77 -4.18 0.00 8.00 -1.26 -4.98 116.55 109.33 2wnh n ASP 179 Ca 0.06 0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2wnh n ASP 179 Cb 0.35 -4.82 -0.10 0.00 -0.02 0.00 0.00 41.12 36.53 2wnh n ASP 179 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wnh s LYS 180 N -4.86 0.87 0.46 -1.24 3.01 -1.13 -5.14 119.74 111.70 2wnh s LYS 180 Ca 0.00 -1.25 -0.23 0.00 -1.01 0.00 0.00 55.97 53.48 2wnh s LYS 180 Cb 0.00 -0.44 -0.07 0.00 -1.01 0.00 0.00 37.83 36.30 2wnh s LYS 180 CO 0.00 0.05 1.18 -2.14 0.51 0.00 0.00 175.35 174.95 2wnh s PRO 181 N -3.22 3.75 -0.44 -1.68 0.02 -1.26 -4.82 135.00 127.35 2wnh s PRO 181 Ca 0.09 1.82 0.04 0.00 0.02 0.00 0.00 61.00 62.96 2wnh s PRO 181 Cb 0.00 -2.43 0.17 0.00 0.02 0.00 0.00 34.50 32.26 2wnh s PRO 181 CO -0.01 -0.57 0.34 0.00 -0.33 0.00 0.00 177.00 176.43 2wnh h PRO 183 N 5.75 -0.03 -0.12 0.00 0.11 -1.80 -2.72 132.00 133.20 2wnh h PRO 183 Ca 0.23 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.38 2wnh h PRO 183 Cb 0.90 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wnh h PRO 183 CO 0.40 -0.02 0.10 0.97 -0.21 0.00 0.00 178.00 179.24 2wnh h ILE 184 N -0.03 0.78 0.00 4.15 6.09 -1.78 -1.31 117.51 125.40 2wnh h ILE 184 Ca 0.37 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 2wnh h ILE 184 Cb 0.62 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.84 2wnh h ILE 184 CO -0.90 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 174.67 2wnh n PHE 185 N -4.26 0.74 0.37 2.19 3.72 -1.02 -2.49 117.46 116.71 2wnh n PHE 185 Ca -0.00 0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.73 2wnh n PHE 185 Cb 0.21 -0.87 0.26 0.00 -0.94 0.00 0.00 39.48 38.14 2wnh n PHE 185 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wnh n ASP 186 N -2.12 2.97 -4.60 4.37 8.00 -0.50 -4.93 116.55 119.74 2wnh n ASP 186 Ca 0.05 -1.95 -0.36 0.00 0.71 0.00 0.00 54.79 53.24 2wnh n ASP 186 Cb 0.37 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 2wnh n ASP 186 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2wnh s THR 187 N -1.39 4.98 0.65 -3.53 -4.23 -1.04 -5.08 115.64 106.00 2wnh s THR 187 Ca 0.38 0.04 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 2wnh s THR 187 Cb 0.20 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 2wnh s THR 187 CO 0.28 0.37 1.20 -2.65 -0.54 0.00 0.00 174.62 173.28 2wnh n PRO 188 N 4.26 1.00 -3.07 3.99 -0.02 -1.26 -4.73 135.00 135.17 2wnh n PRO 188 Ca -0.16 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 2wnh n PRO 188 Cb 0.52 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2wnh n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wnh s TRP 189 N -1.46 3.29 0.04 6.00 0.52 -1.26 -4.57 118.94 121.51 2wnh s TRP 189 Ca 0.81 0.88 0.02 0.00 0.02 0.00 0.00 56.10 57.83 2wnh s TRP 189 Cb -0.38 -2.87 -0.02 0.00 -1.15 0.00 0.00 33.47 29.04 2wnh s TRP 189 CO 0.42 -0.33 -0.08 1.03 0.02 0.00 0.00 176.95 178.02 2wnh s ARG 190 N 2.51 0.53 0.26 4.98 0.52 -1.25 -4.62 118.95 121.88 2wnh s ARG 190 Ca 0.28 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 2wnh s ARG 190 Cb -0.15 -0.34 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 2wnh s ARG 190 CO 0.08 0.07 1.37 0.08 0.02 0.00 0.00 175.30 176.92 2wnh s VAL 191 N -1.20 2.80 -0.02 3.52 1.01 -1.26 -0.68 120.40 124.57 2wnh s VAL 191 Ca -0.08 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2wnh s VAL 191 Cb -0.09 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2wnh s VAL 191 CO 0.00 0.13 -0.08 -0.70 0.00 0.00 0.00 175.10 174.45 2wnh s GLU 192 N -0.72 0.77 -0.08 2.72 2.12 -0.02 -4.90 118.70 118.59 2wnh s GLU 192 Ca 0.56 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2wnh s GLU 192 Cb -0.40 -0.74 0.02 0.00 0.26 0.00 0.00 34.13 33.27 2wnh s GLU 192 CO 0.45 0.11 -0.06 -1.14 -0.54 0.00 0.00 175.26 174.07 2wnh s GLN 193 N 0.12 1.26 0.98 4.30 0.74 -1.26 -0.45 119.66 125.34 2wnh s GLN 193 Ca -0.01 -0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.08 2wnh s GLN 193 Cb -0.07 -1.31 0.18 0.00 1.10 0.00 0.00 33.01 32.91 2wnh s GLN 193 CO 0.00 -0.19 1.13 -1.54 -0.55 0.00 0.00 175.29 174.14 2wnh s SER 194 N 1.44 2.85 0.37 6.67 1.04 -0.13 -4.90 113.70 121.05 2wnh s SER 194 Ca -0.01 0.97 0.10 0.00 0.48 0.00 0.00 55.95 57.49 2wnh s SER 194 Cb -0.13 -1.52 0.71 0.00 0.10 0.00 0.00 66.02 65.18 2wnh s SER 194 CO -0.04 -2.96 1.85 0.07 0.98 0.00 0.00 173.24 173.14 2wnh h LYS 195 N -1.78 0.15 -0.00 4.02 2.10 -2.01 -1.77 116.57 117.26 2wnh h LYS 195 Ca -0.51 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 2wnh h LYS 195 Cb 1.33 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2wnh h LYS 195 CO 0.57 0.41 -0.01 -1.13 -2.00 0.00 0.00 179.45 177.28 2wnh n SER 196 N -4.17 0.35 0.00 7.07 3.41 -1.26 -4.92 113.62 114.10 2wnh n SER 196 Ca -0.01 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2wnh n SER 196 Cb 0.35 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2wnh n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wnh n GLY 197 N 1.10 0.80 3.68 5.00 0.00 -0.67 -5.03 105.19 110.08 2wnh n GLY 197 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2wnh n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wnh s LYS 198 N -0.84 4.40 -0.17 1.61 1.02 -1.26 -4.75 119.74 119.75 2wnh s LYS 198 Ca 0.00 1.39 -0.08 0.00 0.02 0.00 0.00 55.97 57.30 2wnh s LYS 198 Cb 0.00 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2wnh s LYS 198 CO 0.00 -0.36 0.08 0.99 -0.92 0.00 0.00 175.35 175.15 2wnh s THR 199 N 2.18 5.01 0.21 2.17 2.01 -1.26 -0.95 115.64 125.00 2wnh s THR 199 Ca 0.48 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.52 2wnh s THR 199 Cb -0.18 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2wnh s THR 199 CO 0.16 0.49 0.08 0.42 -0.69 0.00 0.00 174.62 175.08 2wnh s THR 200 N 0.06 0.39 -0.21 -0.82 -4.23 0.40 -4.98 115.64 106.25 2wnh s THR 200 Ca 0.07 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2wnh s THR 200 Cb -0.12 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2wnh s THR 200 CO 0.00 -0.17 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.26 2wnh s ILE 201 N -3.87 3.68 0.45 2.99 -1.09 -1.26 -0.84 121.20 121.26 2wnh s ILE 201 Ca 0.33 -0.40 -0.25 0.00 -2.23 0.00 0.00 60.65 58.11 2wnh s ILE 201 Cb 0.07 -2.67 -0.08 0.00 -1.58 0.00 0.00 42.46 38.21 2wnh s ILE 201 CO 0.10 0.42 1.34 -0.94 -1.23 0.00 0.00 174.94 174.63 2wnh s SER 202 N 1.22 5.98 0.00 3.58 1.04 0.14 -1.15 113.70 124.52 2wnh s SER 202 Ca 0.03 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.19 2wnh s SER 202 Cb -0.14 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2wnh s SER 202 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2wnh n GLY 203 N 0.63 2.26 0.19 7.32 0.00 -1.26 -3.90 105.19 110.42 2wnh n GLY 203 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2wnh n GLY 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wnh h LEU 204 N 0.00 -0.25 -1.01 0.99 5.85 -1.90 -1.87 115.31 117.12 2wnh h LEU 204 Ca 0.00 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2wnh h LEU 204 Cb 0.00 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2wnh h LEU 204 CO 0.00 -0.09 0.15 0.28 -0.34 0.00 0.00 178.44 178.44 2wnh h SER 205 N 0.09 0.81 0.06 1.25 0.02 -1.37 0.51 113.55 114.92 2wnh h SER 205 Ca 0.24 -0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 2wnh h SER 205 Cb 0.36 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wnh h SER 205 CO -0.42 0.78 -0.71 0.58 -1.14 0.00 0.00 176.83 175.92 2wnh h VAL 206 N 0.84 1.33 -0.91 2.27 2.07 -1.72 -2.04 116.25 118.08 2wnh h VAL 206 Ca 0.19 -2.01 0.04 0.00 0.82 0.00 0.00 66.70 65.73 2wnh h VAL 206 Cb 0.28 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2wnh h VAL 206 CO -0.00 0.62 0.59 0.24 0.02 0.00 0.00 177.57 179.04 2wnh h MET 207 N 0.41 1.10 -0.85 1.57 2.07 -0.92 -0.43 114.93 117.88 2wnh h MET 207 Ca -0.03 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 2wnh h MET 207 Cb 1.30 -0.25 -0.04 0.00 -1.87 0.00 0.00 31.60 30.74 2wnh h MET 207 CO 0.13 0.73 0.53 0.00 1.07 0.00 0.00 176.91 179.38 2wnh h ALA 208 N 1.38 1.08 -0.99 6.32 0.00 -0.67 0.11 119.26 126.49 2wnh h ALA 208 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2wnh h ALA 208 Cb 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 2wnh h ALA 208 CO -0.12 0.52 0.65 -0.91 0.00 0.00 0.00 179.25 179.39 2wnh h ASN 209 N 1.16 1.14 -0.41 0.00 2.35 -0.62 -0.04 115.58 119.16 2wnh h ASN 209 Ca 0.31 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 2wnh h ASN 209 Cb -0.08 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 2wnh h ASN 209 CO -0.06 0.83 0.04 0.24 -1.65 0.00 0.00 177.43 176.83 2wnh h MET 210 N 1.34 0.70 -0.31 0.81 2.86 -0.14 -1.78 114.93 118.41 2wnh h MET 210 Ca 0.36 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2wnh h MET 210 Cb -0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2wnh h MET 210 CO -0.08 0.76 0.02 0.28 1.06 0.00 0.00 176.91 178.95 2wnh h VAL 211 N 0.54 1.25 -0.79 -2.22 2.07 -0.64 -1.28 116.25 115.18 2wnh h VAL 211 Ca 0.12 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2wnh h VAL 211 Cb 0.41 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2wnh h VAL 211 CO 0.01 0.29 0.50 -0.08 0.02 0.00 0.00 177.57 178.32 2wnh h GLU 212 N 0.34 0.94 -0.78 1.57 4.57 -0.98 0.16 114.58 120.39 2wnh h GLU 212 Ca 0.09 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2wnh h GLU 212 Cb 0.41 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2wnh h GLU 212 CO 0.01 0.62 0.50 1.15 -1.18 0.00 0.00 179.01 180.12 2wnh h THR 213 N 0.97 1.21 -0.28 0.32 2.02 -0.97 0.72 112.91 116.89 2wnh h THR 213 Ca 0.32 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2wnh h THR 213 Cb 0.03 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2wnh h THR 213 CO -0.12 0.21 -0.19 -0.07 0.37 0.00 0.00 175.52 175.72 2wnh h LEU 214 N 1.07 0.66 -0.71 2.58 3.38 -0.74 -0.12 115.31 121.43 2wnh h LEU 214 Ca 0.29 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2wnh h LEU 214 Cb -0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2wnh h LEU 214 CO -0.06 0.95 0.46 -0.09 0.09 0.00 0.00 178.44 179.79 2wnh h ARG 215 N 0.37 0.90 -0.56 1.13 1.12 -0.76 0.29 114.38 116.88 2wnh h ARG 215 Ca 0.06 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 2wnh h ARG 215 Cb 0.73 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 2wnh h ARG 215 CO 0.05 0.59 -0.01 -0.07 -3.11 0.00 0.00 179.97 177.42 2wnh h LEU 216 N 0.93 0.95 -0.64 3.80 3.38 -0.74 -0.90 115.31 122.08 2wnh h LEU 216 Ca 0.27 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2wnh h LEU 216 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2wnh h LEU 216 CO -0.07 1.01 -0.20 1.23 0.09 0.00 0.00 178.44 180.50 2wnh h GLY 217 N 0.99 0.92 0.98 0.83 0.00 -0.66 0.28 103.07 106.41 2wnh h GLY 217 Ca 0.16 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2wnh h GLY 217 CO 0.03 0.71 -0.14 -0.25 0.00 0.00 0.00 176.54 176.89 2wnh h TRP 218 N 0.74 -0.36 -0.01 5.60 2.91 -0.82 -2.65 115.95 121.36 2wnh h TRP 218 Ca 0.10 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 2wnh h TRP 218 Cb 0.73 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.50 2wnh h TRP 218 CO 0.04 -0.21 -0.02 0.77 -1.03 0.00 0.00 178.44 178.00 2wnh h SER 219 N -0.42 0.02 0.94 2.65 0.02 -0.78 -1.84 113.55 114.13 2wnh h SER 219 Ca -0.04 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wnh h SER 219 Cb 0.32 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2wnh h SER 219 CO 0.07 0.04 0.00 -0.08 -1.14 0.00 0.00 176.83 175.71 2wnh h GLU 220 N 0.02 0.00 -3.39 3.45 4.57 -0.85 -3.17 114.58 115.21 2wnh h GLU 220 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2wnh h GLU 220 Cb 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2wnh h GLU 220 CO 0.00 0.00 -0.42 -1.71 -1.18 0.00 0.00 179.01 175.71 2wnh n ASN 221 N -2.65 -4.69 -4.76 1.04 5.15 -0.69 -4.91 115.26 103.75 2wnh n ASN 221 Ca 0.02 -0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.38 2wnh n ASN 221 Cb 0.28 -3.49 0.03 0.00 -0.53 0.00 0.00 39.78 36.08 2wnh n ASN 221 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wnh s LEU 222 N -4.75 3.91 0.25 1.20 1.43 -1.01 -4.95 118.68 114.76 2wnh s LEU 222 Ca 0.25 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 2wnh s LEU 222 Cb -0.11 -4.23 -0.14 0.00 0.03 0.00 0.00 46.19 41.73 2wnh s LEU 222 CO 0.31 -1.40 1.10 -2.65 0.23 0.00 0.00 176.35 173.93 2wnh n PRO 223 N -0.84 1.38 -0.22 1.29 -0.02 -1.26 -4.79 135.00 130.54 2wnh n PRO 223 Ca 0.09 0.49 0.17 0.00 -2.02 0.00 0.00 63.50 62.23 2wnh n PRO 223 Cb 0.45 -1.93 0.49 0.00 -0.02 0.00 0.00 33.50 32.50 2wnh n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wnh h LEU 224 N 2.63 0.43 -2.57 2.45 3.38 -1.92 -0.57 115.31 119.13 2wnh h LEU 224 Ca -0.41 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wnh h LEU 224 Cb 1.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2wnh h LEU 224 CO 0.65 0.19 -0.01 0.77 0.09 0.00 0.00 178.44 180.13 2wnh h SER 225 N 0.44 0.00 -0.02 -0.43 4.64 -1.91 -1.88 113.55 114.39 2wnh h SER 225 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2wnh h SER 225 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2wnh h SER 225 CO -0.16 0.01 -0.06 0.00 -0.87 0.00 0.00 176.83 175.76 2wnh n GLN 226 N -3.49 1.14 -0.00 4.77 6.02 -0.27 -3.53 117.38 122.02 2wnh n GLN 226 Ca -0.03 -1.20 -0.00 0.00 -0.01 0.00 0.00 57.00 55.76 2wnh n GLN 226 Cb 0.10 -1.25 -0.00 0.00 1.02 0.00 0.00 30.24 30.11 2wnh n GLN 226 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wnh h LEU 227 N 2.48 0.00 -5.24 1.08 5.85 -0.89 -3.42 115.31 115.17 2wnh h LEU 227 Ca 0.00 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.28 2wnh h LEU 227 Cb 0.56 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.18 2wnh h LEU 227 CO 0.00 0.00 -1.10 0.00 -0.34 0.00 0.00 178.44 177.00 2wnh n ALA 228 N -2.12 3.32 -3.68 1.25 0.00 -1.23 -4.94 120.51 113.10 2wnh n ALA 228 Ca -0.00 -3.46 -0.28 0.00 0.00 0.00 0.00 53.44 49.70 2wnh n ALA 228 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.59 2wnh n ALA 228 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wnh n TRP 229 N -0.03 -2.10 -0.81 0.00 8.01 -1.23 -0.91 117.44 120.38 2wnh n TRP 229 Ca 0.19 0.74 0.00 0.00 -1.31 0.00 0.00 57.50 57.11 2wnh n TRP 229 Cb 0.73 -3.69 0.00 0.00 -2.01 0.00 0.00 31.31 26.34 2wnh n TRP 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wnh n GLY 230 N -1.51 1.32 0.23 6.99 0.00 -0.76 -4.90 105.19 106.56 2wnh n GLY 230 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2wnh n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wnh h LYS 231 N 2.88 0.00 -5.06 1.61 1.79 -1.28 -3.42 116.57 113.09 2wnh h LYS 231 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 2wnh h LYS 231 Cb 0.00 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.33 2wnh h LYS 231 CO 0.00 0.04 -0.81 0.42 -1.08 0.00 0.00 179.45 178.02 2wnh s ILE 232 N -3.32 2.56 0.00 1.86 1.01 -1.26 -4.96 121.20 117.08 2wnh s ILE 232 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2wnh s ILE 232 Cb 0.06 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2wnh s ILE 232 CO 0.64 0.50 0.00 0.00 0.00 0.00 0.00 174.94 176.08 2wnh n ALA 233 N 4.58 1.17 -2.12 9.38 0.00 -1.26 -4.81 120.51 127.45 2wnh n ALA 233 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2wnh n ALA 233 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2wnh n ALA 233 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wnh s GLN 234 N -0.60 0.73 0.38 0.00 -2.07 -1.26 -5.04 119.66 111.80 2wnh s GLN 234 Ca 0.00 -1.30 0.05 0.00 -1.82 0.00 0.00 55.36 52.30 2wnh s GLN 234 Cb 0.00 0.11 0.76 0.00 -1.09 0.00 0.00 33.01 32.79 2wnh s GLN 234 CO 0.00 -0.12 2.01 0.00 -1.32 0.00 0.00 175.29 175.86 2wnh h ALA 235 N 3.04 1.60 0.00 2.60 0.00 -1.98 -1.33 119.26 123.19 2wnh h ALA 235 Ca -0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wnh h ALA 235 Cb 1.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wnh h ALA 235 CO 0.64 0.34 -0.01 0.66 0.00 0.00 0.00 179.25 180.88 2wnh h SER 236 N 0.60 0.00 0.68 0.00 4.64 -1.96 -0.44 113.55 117.08 2wnh h SER 236 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2wnh h SER 236 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2wnh h SER 236 CO -0.03 0.01 -0.50 1.56 -0.87 0.00 0.00 176.83 177.01 2wnh h GLN 237 N 0.00 0.00 -0.05 4.77 4.20 -1.66 -1.87 115.11 120.50 2wnh h GLN 237 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2wnh h GLN 237 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wnh h GLN 237 CO 0.00 0.50 -0.22 0.82 -0.67 0.00 0.00 178.83 179.26 2wnh h ILE 238 N 0.00 1.46 -0.85 2.54 1.08 -1.17 -3.28 117.51 117.29 2wnh h ILE 238 Ca -0.00 -1.68 0.15 0.00 -0.39 0.00 0.00 64.86 62.94 2wnh h ILE 238 Cb 0.97 2.42 -0.10 0.00 -3.07 0.00 0.00 36.82 37.04 2wnh h ILE 238 CO 0.06 0.47 0.43 0.74 -0.69 0.00 0.00 178.15 179.17 2wnh h THR 239 N -0.32 0.72 0.00 -0.27 2.02 -1.12 -1.25 112.91 112.69 2wnh h THR 239 Ca -0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2wnh h THR 239 Cb 0.88 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2wnh h THR 239 CO 0.05 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.03 2wnh h ALA 240 N 1.56 1.06 0.00 6.16 0.00 -1.40 -2.61 119.26 124.04 2wnh h ALA 240 Ca 0.47 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 2wnh h ALA 240 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wnh h ALA 240 CO -0.37 0.02 -1.17 -0.07 0.00 0.00 0.00 179.25 177.66 2wnh h LEU 241 N 0.00 0.00 -2.20 0.00 3.38 -1.30 -3.41 115.31 111.78 2wnh h LEU 241 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wnh h LEU 241 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wnh h LEU 241 CO 0.00 0.27 -0.01 -0.07 0.09 0.00 0.00 178.44 178.72 2wnh h LEU 242 N 0.00 0.00 -1.99 1.67 3.38 -1.32 -2.60 115.31 114.45 2wnh h LEU 242 Ca -0.07 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.16 2wnh h LEU 242 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 2wnh h LEU 242 CO 0.02 0.01 0.68 -0.65 0.09 0.00 0.00 178.44 178.59 2wnh h PRO 243 N 0.00 0.00 -0.30 1.13 0.11 -1.79 -0.49 132.00 130.66 2wnh h PRO 243 Ca -0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2wnh h PRO 243 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2wnh h PRO 243 CO 0.00 0.00 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.34 2wnh h LEU 244 N 0.00 0.75 -0.19 2.35 3.38 -1.81 -1.09 115.31 118.69 2wnh h LEU 244 Ca 0.44 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wnh h LEU 244 Cb 1.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2wnh h LEU 244 CO -0.00 1.04 0.01 0.25 0.09 0.00 0.00 178.44 179.83 2wnh h LEU 245 N 0.58 0.33 -0.46 1.67 5.85 -1.29 -2.02 115.31 119.96 2wnh h LEU 245 Ca 0.05 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2wnh h LEU 245 Cb 0.91 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 2wnh h LEU 245 CO 0.08 0.54 0.14 0.74 -0.34 0.00 0.00 178.44 179.61 2wnh h THR 246 N 0.10 0.82 -0.51 1.05 2.02 -1.27 -1.38 112.91 113.74 2wnh h THR 246 Ca 0.06 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2wnh h THR 246 Cb 0.37 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 2wnh h THR 246 CO 0.01 0.06 0.25 -0.08 0.37 0.00 0.00 175.52 176.12 2wnh h GLU 247 N 0.30 0.46 -0.49 6.66 4.57 -1.09 -0.55 114.58 124.44 2wnh h GLU 247 Ca 0.22 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 2wnh h GLU 247 Cb 0.25 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2wnh h GLU 247 CO -0.25 0.31 -0.07 -0.97 -1.18 0.00 0.00 179.01 176.85 2wnh h ASN 248 N 0.48 0.86 -0.60 1.04 -1.24 -1.12 -2.54 115.58 112.46 2wnh h ASN 248 Ca 0.23 -0.25 -0.05 0.00 0.71 0.00 0.00 56.30 56.94 2wnh h ASN 248 Cb 0.16 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2wnh h ASN 248 CO -0.17 0.96 0.19 1.88 -1.29 0.00 0.00 177.43 179.00 2wnh h TYR 249 N 0.80 0.97 -0.88 0.67 -1.99 -0.87 -2.08 116.97 113.58 2wnh h TYR 249 Ca 0.14 -0.10 0.13 0.00 2.00 0.00 0.00 58.73 60.90 2wnh h TYR 249 Cb 0.57 -0.28 -0.07 0.00 2.00 0.00 0.00 36.73 38.96 2wnh h TYR 249 CO 0.03 0.80 0.57 -0.44 -0.00 0.00 0.00 178.16 179.12 2wnh h ASP 250 N 0.85 0.68 -0.59 3.88 3.32 -0.76 -0.94 116.42 122.85 2wnh h ASP 250 Ca 0.19 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2wnh h ASP 250 Cb 0.29 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2wnh h ASP 250 CO -0.01 0.36 0.00 0.18 -1.72 0.00 0.00 179.24 178.05 2wnh n LEU 251 N -4.55 3.67 0.00 1.55 4.77 -0.99 -3.72 117.00 117.73 2wnh n LEU 251 Ca 0.16 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2wnh n LEU 251 Cb 0.43 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2wnh n LEU 251 CO 0.30 0.87 0.00 -1.54 -1.33 0.00 0.00 177.39 175.69 2wnh n SER 252 N 1.54 0.00 0.26 -1.43 3.41 -0.80 -4.86 113.62 111.74 2wnh n SER 252 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 2wnh n SER 252 Cb 0.60 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.25 2wnh n SER 252 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wnh h ASN 253 N 0.00 0.00 -0.46 4.04 -0.26 -1.74 -2.42 115.58 114.73 2wnh h ASN 253 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2wnh h ASN 253 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2wnh h ASN 253 CO 0.00 0.12 0.00 0.47 -1.06 0.00 0.00 177.43 176.96 2wnh n ASP 254 N -3.80 3.36 -4.68 5.81 8.00 -0.42 -4.11 116.55 120.71 2wnh n ASP 254 Ca -0.02 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 2wnh n ASP 254 Cb 0.23 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2wnh n ASP 254 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wnh s VAL 255 N -1.40 3.57 0.16 2.53 1.01 -0.91 -4.93 120.40 120.44 2wnh s VAL 255 Ca 0.40 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 2wnh s VAL 255 Cb 0.23 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 33.11 2wnh s VAL 255 CO 0.31 -0.03 1.70 0.25 0.00 0.00 0.00 175.10 177.33 2wnh h LEU 256 N 9.04 -0.17 -0.48 3.92 5.85 -1.89 -1.05 115.31 130.53 2wnh h LEU 256 Ca -0.38 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.50 2wnh h LEU 256 Cb 1.18 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 2wnh h LEU 256 CO 0.93 -0.05 0.15 0.22 -0.34 0.00 0.00 178.44 179.35 2wnh h TYR 257 N 0.10 0.25 -0.38 1.25 3.20 -1.97 0.39 116.97 119.82 2wnh h TYR 257 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2wnh h TYR 257 Cb 0.27 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2wnh h TYR 257 CO -0.27 0.07 0.22 1.15 -1.64 0.00 0.00 178.16 177.69 2wnh h THR 258 N 0.31 1.13 -0.41 1.81 2.02 -1.72 -1.69 112.91 114.36 2wnh h THR 258 Ca 0.23 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2wnh h THR 258 Cb 0.26 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2wnh h THR 258 CO -0.26 0.13 -0.03 0.00 0.37 0.00 0.00 175.52 175.73 2wnh h ALA 259 N 1.09 1.19 -0.20 6.16 0.00 -0.66 -0.15 119.26 126.68 2wnh h ALA 259 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2wnh h ALA 259 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wnh h ALA 259 CO -0.02 0.53 0.03 1.96 0.00 0.00 0.00 179.25 181.74 2wnh h GLN 260 N 0.63 0.33 -0.28 0.00 4.20 -0.53 0.32 115.11 119.77 2wnh h GLN 260 Ca 0.12 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2wnh h GLN 260 Cb 0.44 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2wnh h GLN 260 CO 0.02 0.49 -0.00 0.87 -0.67 0.00 0.00 178.83 179.54 2wnh h LYS 261 N 0.12 0.49 -0.01 1.46 1.79 -1.12 -3.18 116.57 116.13 2wnh h LYS 261 Ca 0.06 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2wnh h LYS 261 Cb 0.33 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wnh h LYS 261 CO 0.00 0.65 -0.75 0.54 -1.08 0.00 0.00 179.45 178.81 2wnh n ARG 262 N -4.59 0.83 -0.00 3.15 1.74 -0.09 -4.37 116.66 113.33 2wnh n ARG 262 Ca -0.03 -0.34 0.02 0.00 -0.77 0.00 0.00 57.85 56.73 2wnh n ARG 262 Cb 0.25 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2wnh n ARG 262 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wnh n GLY 263 N 1.42 0.10 0.34 -0.13 0.00 0.11 -4.71 105.19 102.33 2wnh n GLY 263 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wnh n GLY 263 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wnh h SER 264 N 0.00 0.79 -0.32 1.61 0.02 -1.52 -1.94 113.55 112.20 2wnh h SER 264 Ca 0.00 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2wnh h SER 264 Cb 0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2wnh h SER 264 CO 0.00 0.57 -0.04 1.62 -1.14 0.00 0.00 176.83 177.84 2wnh h VAL 265 N 0.94 1.24 0.01 2.27 3.04 -1.83 -0.66 116.25 121.26 2wnh h VAL 265 Ca 0.26 -1.01 -0.09 0.00 -1.01 0.00 0.00 66.70 64.84 2wnh h VAL 265 Cb -0.10 0.96 0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2wnh h VAL 265 CO -0.06 0.35 -0.36 0.25 -1.01 0.00 0.00 177.57 176.74 2wnh h LEU 266 N 0.66 0.29 -0.66 3.16 5.85 -1.65 -2.41 115.31 120.55 2wnh h LEU 266 Ca 0.13 -0.81 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 2wnh h LEU 266 Cb 0.47 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2wnh h LEU 266 CO 0.02 1.07 0.38 0.25 -0.34 0.00 0.00 178.44 179.82 2wnh h LEU 267 N -0.45 0.80 -0.66 2.25 5.85 -1.29 -0.75 115.31 121.06 2wnh h LEU 267 Ca -0.05 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2wnh h LEU 267 Cb 1.13 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 2wnh h LEU 267 CO 0.07 0.64 0.34 -1.13 -0.34 0.00 0.00 178.44 178.02 2wnh h ASN 268 N 0.89 0.47 -0.46 1.25 -1.24 -1.17 0.06 115.58 115.38 2wnh h ASN 268 Ca 0.23 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.21 2wnh h ASN 268 Cb -0.00 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2wnh h ASN 268 CO -0.04 0.29 0.01 0.00 -1.29 0.00 0.00 177.43 176.40 2wnh h ALA 269 N 1.38 1.04 -0.24 1.57 0.00 -0.95 -0.68 119.26 121.39 2wnh h ALA 269 Ca 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wnh h ALA 269 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wnh h ALA 269 CO -0.22 0.60 -0.03 0.52 0.00 0.00 0.00 179.25 180.12 2wnh h MET 270 N 0.81 0.44 -0.53 0.00 2.86 -0.54 -0.20 114.93 117.77 2wnh h MET 270 Ca 0.16 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2wnh h MET 270 Cb 0.47 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2wnh h MET 270 CO 0.02 0.64 -0.02 -0.07 1.06 0.00 0.00 176.91 178.55 2wnh h LEU 271 N 0.19 0.88 -0.94 1.22 3.38 -0.81 -2.07 115.31 117.16 2wnh h LEU 271 Ca 0.06 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2wnh h LEU 271 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wnh h LEU 271 CO 0.02 0.95 0.05 0.44 0.09 0.00 0.00 178.44 179.99 2wnh h ASP 272 N 0.83 0.78 0.58 -0.43 3.32 -1.10 -3.02 116.42 117.39 2wnh h ASP 272 Ca 0.15 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2wnh h ASP 272 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2wnh h ASP 272 CO 0.03 0.82 -0.30 1.23 -1.72 0.00 0.00 179.24 179.29 2wnh h GLY 273 N 0.98 0.00 1.18 2.75 0.00 -0.53 -2.91 103.07 104.54 2wnh h GLY 273 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2wnh h GLY 273 CO 0.01 0.00 -0.46 1.55 0.00 0.00 0.00 176.54 177.64 2wnh n VAL 274 N -3.72 0.09 -2.79 4.60 3.14 -0.82 -4.78 118.33 114.04 2wnh n VAL 274 Ca -0.01 -0.07 -0.33 0.00 -2.96 0.00 0.00 64.34 60.98 2wnh n VAL 274 Cb 0.40 0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 33.18 2wnh n VAL 274 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wnh s LYS 275 N -3.04 4.12 0.86 1.45 1.02 -1.10 -4.77 119.74 118.28 2wnh s LYS 275 Ca 0.10 0.99 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 2wnh s LYS 275 Cb 0.17 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2wnh s LYS 275 CO 0.68 -0.05 1.01 -2.30 -0.92 0.00 0.00 175.35 173.77 2wnh n PRO 276 N -0.80 -0.09 -1.36 -1.68 -0.02 -1.26 -3.04 135.00 126.75 2wnh n PRO 276 Ca 0.06 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 2wnh n PRO 276 Cb 0.54 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2wnh n PRO 276 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wnh n GLU 277 N -3.15 -0.85 -2.08 -0.52 -0.58 -1.26 -5.01 120.64 107.20 2wnh n GLU 277 Ca 0.12 0.92 -0.35 0.00 -0.42 0.00 0.00 57.16 57.43 2wnh n GLU 277 Cb 0.51 -4.94 0.02 0.00 -0.57 0.00 0.00 31.44 26.46 2wnh n GLU 277 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wnh s ALA 278 N -2.45 2.59 -0.20 0.62 0.00 -1.17 -5.02 121.76 116.12 2wnh s ALA 278 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 2wnh s ALA 278 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2wnh s ALA 278 CO 0.00 -1.02 -0.01 -1.12 0.00 0.00 0.00 175.76 173.60 2wnh s SER 279 N -1.80 4.70 0.66 0.00 0.01 -1.26 -3.17 113.70 112.83 2wnh s SER 279 Ca 0.74 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.65 2wnh s SER 279 Cb -0.26 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 2wnh s SER 279 CO 0.32 0.05 1.05 -2.16 0.41 0.00 0.00 173.24 172.91 2wnh s PRO 280 N 1.07 3.28 -0.95 12.44 0.04 -1.26 -4.46 135.00 145.16 2wnh s PRO 280 Ca 0.02 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 2wnh s PRO 280 Cb -0.14 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.41 2wnh s PRO 280 CO 0.01 -0.79 1.35 1.21 0.04 0.00 0.00 177.00 178.82 2wnh s ASN 281 N -4.15 6.45 0.06 6.66 3.04 -1.19 -4.95 114.94 120.86 2wnh s ASN 281 Ca 0.56 -1.37 0.01 0.00 0.04 0.00 0.00 52.86 52.10 2wnh s ASN 281 Cb -0.12 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.02 2wnh s ASN 281 CO 0.54 -1.49 -0.05 0.68 -3.04 0.00 0.00 177.10 173.74 2wnh s VAL 282 N 4.70 0.45 -0.01 -5.21 -7.23 -1.26 -4.53 120.40 107.30 2wnh s VAL 282 Ca 0.41 -1.62 0.11 0.00 -1.81 0.00 0.00 61.98 59.07 2wnh s VAL 282 Cb -0.03 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 2wnh s VAL 282 CO -0.05 -0.78 1.35 0.03 -0.31 0.00 0.00 175.10 175.34 2wnh h ARG 283 N 3.50 0.00 -3.42 4.82 2.47 -0.93 -3.44 114.38 117.39 2wnh h ARG 283 Ca -0.35 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 57.94 2wnh h ARG 283 Cb 1.17 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.10 2wnh h ARG 283 CO 0.58 0.77 -0.75 -0.46 0.56 0.00 0.00 179.97 180.66 2wnh s TRP 284 N -2.82 0.43 -0.28 3.04 -0.00 -0.60 -1.03 118.94 117.68 2wnh s TRP 284 Ca 0.02 -0.17 -0.09 0.00 -0.00 0.00 0.00 56.10 55.87 2wnh s TRP 284 Cb 0.09 -0.71 -0.03 0.00 -0.00 0.00 0.00 33.47 32.82 2wnh s TRP 284 CO 0.79 -0.36 0.13 -1.17 -0.00 0.00 0.00 176.95 176.33 2wnh s LEU 285 N 2.05 3.84 -0.22 5.86 2.96 0.50 -1.59 118.68 132.08 2wnh s LEU 285 Ca 0.03 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2wnh s LEU 285 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.57 2wnh s LEU 285 CO -0.06 -0.10 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.56 2wnh s LEU 286 N 1.66 2.85 -0.11 -0.68 2.96 -0.39 -0.74 118.68 124.23 2wnh s LEU 286 Ca 0.06 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2wnh s LEU 286 Cb -0.16 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2wnh s LEU 286 CO 0.07 -0.08 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.14 2wnh s LEU 287 N 1.33 2.80 -0.18 -0.68 1.43 0.43 -0.61 118.68 123.20 2wnh s LEU 287 Ca 0.02 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2wnh s LEU 287 Cb -0.15 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2wnh s LEU 287 CO -0.07 0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 2wnh s VAL 288 N 0.06 1.57 0.00 -1.59 1.01 -0.39 -0.38 120.40 120.68 2wnh s VAL 288 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wnh s VAL 288 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2wnh s VAL 288 CO 0.04 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2wnh n ALA 289 N 4.73 0.00 -2.45 5.51 0.00 -0.06 -0.93 120.51 127.31 2wnh n ALA 289 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 2wnh n ALA 289 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 2wnh n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wnh s HIS 290 N 1.73 2.19 0.37 0.00 3.76 -1.26 -1.45 115.29 120.62 2wnh s HIS 290 Ca 0.00 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.57 2wnh s HIS 290 Cb 0.00 -0.98 0.72 0.00 1.11 0.00 0.00 32.58 33.43 2wnh s HIS 290 CO 0.00 0.64 2.00 0.38 -0.85 0.00 0.00 174.74 176.91 2wnh h ASP 291 N 2.30 0.65 -0.83 1.40 3.04 -1.93 -1.79 116.42 119.27 2wnh h ASP 291 Ca -0.40 -0.01 0.06 0.00 -3.24 0.00 0.00 57.03 53.44 2wnh h ASP 291 Cb 1.25 -0.15 -0.06 0.00 -1.04 0.00 0.00 39.33 39.33 2wnh h ASP 291 CO 0.61 0.45 0.51 0.71 -2.04 0.00 0.00 179.24 179.49 2wnh h THR 292 N 0.76 1.04 -0.28 1.15 1.35 -1.99 0.14 112.91 115.08 2wnh h THR 292 Ca 0.25 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.76 2wnh h THR 292 Cb 0.05 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 2wnh h THR 292 CO -0.07 0.17 0.06 0.78 -0.25 0.00 0.00 175.52 176.21 2wnh h ASN 293 N 0.93 0.43 -0.64 5.36 4.21 -1.70 -1.92 115.58 122.25 2wnh h ASN 293 Ca 0.36 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.63 2wnh h ASN 293 Cb 0.16 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 2wnh h ASN 293 CO -0.17 0.56 0.40 0.40 -1.29 0.00 0.00 177.43 177.33 2wnh h ILE 294 N 0.28 1.18 -0.51 2.81 2.04 -1.05 -1.54 117.51 120.71 2wnh h ILE 294 Ca 0.09 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2wnh h ILE 294 Cb 0.31 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2wnh h ILE 294 CO 0.00 0.18 0.30 0.00 0.00 0.00 0.00 178.15 178.63 2wnh h ALA 295 N 1.22 0.65 -0.56 1.87 0.00 -0.86 -0.69 119.26 120.88 2wnh h ALA 295 Ca 0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wnh h ALA 295 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2wnh h ALA 295 CO -0.05 0.14 0.02 0.52 0.00 0.00 0.00 179.25 179.88 2wnh h MET 296 N 0.68 0.98 0.01 0.00 2.86 -1.11 -1.72 114.93 116.63 2wnh h MET 296 Ca 0.18 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2wnh h MET 296 Cb 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2wnh h MET 296 CO -0.03 0.97 -0.00 0.28 1.06 0.00 0.00 176.91 179.18 2wnh h VAL 297 N 0.86 1.08 -0.09 -2.22 2.07 -0.98 -0.84 116.25 116.14 2wnh h VAL 297 Ca 0.16 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2wnh h VAL 297 Cb 0.52 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2wnh h VAL 297 CO 0.02 0.07 -0.20 0.08 0.02 0.00 0.00 177.57 177.56 2wnh h ARG 298 N -0.13 0.14 -0.37 1.57 -0.00 -1.09 -0.57 114.38 113.93 2wnh h ARG 298 Ca -0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.98 59.90 2wnh h ARG 298 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.06 2wnh h ARG 298 CO 0.00 0.35 0.05 1.15 -0.00 0.00 0.00 179.97 181.52 2wnh h THR 299 N 0.13 1.24 -0.56 0.08 2.02 -0.93 -0.88 112.91 114.02 2wnh h THR 299 Ca 0.02 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2wnh h THR 299 Cb 0.44 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2wnh h THR 299 CO 0.03 0.29 0.32 -0.07 0.37 0.00 0.00 175.52 176.46 2wnh h LEU 300 N 0.46 0.67 -0.16 2.58 3.38 -0.45 -1.77 115.31 120.02 2wnh h LEU 300 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wnh h LEU 300 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2wnh h LEU 300 CO 0.01 0.53 0.00 0.23 0.09 0.00 0.00 178.44 179.30 2wnh n MET 301 N -4.41 0.06 -3.82 1.13 2.81 -0.29 -4.26 117.12 108.34 2wnh n MET 301 Ca 0.05 0.25 -0.26 0.00 -1.81 0.00 0.00 57.70 55.93 2wnh n MET 301 Cb 0.09 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.03 2wnh n MET 301 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wnh n ASN 302 N -1.70 -3.26 -4.09 7.83 5.15 -0.67 -4.84 115.26 113.68 2wnh n ASN 302 Ca 0.04 -0.79 -0.28 0.00 -0.60 0.00 0.00 54.58 52.94 2wnh n ASN 302 Cb 0.22 -3.97 -0.17 0.00 -0.53 0.00 0.00 39.78 35.33 2wnh n ASN 302 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2wnh s PHE 303 N -3.47 1.94 0.09 1.20 5.36 -0.42 -5.05 117.98 117.64 2wnh s PHE 303 Ca 0.38 -0.81 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2wnh s PHE 303 Cb -0.19 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 2wnh s PHE 303 CO 0.82 -0.38 0.07 0.45 -1.46 0.00 0.00 175.22 174.73 2wnh n SER 304 N 3.84 -0.05 -3.76 6.13 2.88 -1.26 -4.41 113.62 116.98 2wnh n SER 304 Ca -0.21 -1.61 -0.07 0.00 -1.33 0.00 0.00 58.87 55.65 2wnh n SER 304 Cb 0.52 0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 64.41 2wnh n SER 304 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2wnh s TRP 305 N -2.33 -0.23 -0.18 0.66 -2.14 -1.26 -4.99 118.94 108.47 2wnh s TRP 305 Ca 0.10 -0.15 -0.04 0.00 2.66 0.00 0.00 56.10 58.67 2wnh s TRP 305 Cb 0.01 0.67 0.09 0.00 -3.10 0.00 0.00 33.47 31.13 2wnh s TRP 305 CO 0.07 -1.06 0.27 -1.14 -2.66 0.00 0.00 176.95 172.43 2wnh s GLN 306 N -3.72 0.21 0.12 3.25 -0.44 -1.26 -0.28 119.66 117.54 2wnh s GLN 306 Ca 0.10 0.52 0.05 0.00 -2.50 0.00 0.00 55.36 53.53 2wnh s GLN 306 Cb -0.04 -0.53 -0.04 0.00 -1.64 0.00 0.00 33.01 30.76 2wnh s GLN 306 CO 0.03 -0.48 0.03 -0.51 0.50 0.00 0.00 175.29 174.85 2wnh s LEU 307 N 2.42 3.54 0.01 3.68 1.43 -1.26 -5.03 118.68 123.46 2wnh s LEU 307 Ca 0.05 -0.19 -0.38 0.00 -1.03 0.00 0.00 54.13 52.59 2wnh s LEU 307 Cb -0.14 -2.23 -0.17 0.00 0.03 0.00 0.00 46.19 43.69 2wnh s LEU 307 CO -0.11 0.14 1.40 -2.65 0.23 0.00 0.00 176.35 175.35 2wnh n PRO 308 N 0.26 1.06 -0.72 1.29 -0.02 -1.26 -0.60 135.00 135.02 2wnh n PRO 308 Ca -0.10 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2wnh n PRO 308 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2wnh n PRO 308 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnh n GLY 309 N 2.77 1.47 3.42 -1.23 0.00 -1.26 -4.81 105.19 105.54 2wnh n GLY 309 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2wnh n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wnh s TYR 310 N -3.68 2.31 0.79 1.61 2.02 0.24 -4.48 117.35 116.15 2wnh s TYR 310 Ca 0.00 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 2wnh s TYR 310 Cb 0.00 -1.17 0.08 0.00 -0.40 0.00 0.00 41.96 40.47 2wnh s TYR 310 CO 0.00 0.46 1.13 -1.54 -1.57 0.00 0.00 175.55 174.03 2wnh s SER 311 N -2.51 4.51 0.09 2.29 1.04 -1.26 -4.34 113.70 113.52 2wnh s SER 311 Ca 0.19 0.63 -0.35 0.00 0.48 0.00 0.00 55.95 56.90 2wnh s SER 311 Cb -0.08 -1.14 -0.14 0.00 0.10 0.00 0.00 66.02 64.76 2wnh s SER 311 CO 0.09 -1.87 1.59 -1.14 0.98 0.00 0.00 173.24 172.90 2wnh n ARG 312 N -3.22 1.93 -0.96 4.02 0.63 -1.26 -2.09 116.66 115.72 2wnh n ARG 312 Ca 0.09 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2wnh n ARG 312 Cb 0.61 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.06 2wnh n ARG 312 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wnh n GLY 313 N 3.45 0.18 3.71 5.14 0.00 0.62 -4.75 105.19 113.54 2wnh n GLY 313 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2wnh n GLY 313 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wnh n ASN 314 N -0.59 2.81 -3.96 1.61 2.85 -0.89 -4.96 115.26 112.14 2wnh n ASN 314 Ca 0.00 1.18 -0.30 0.00 -0.11 0.00 0.00 54.58 55.35 2wnh n ASN 314 Cb 0.30 -1.50 -0.14 0.00 1.24 0.00 0.00 39.78 39.67 2wnh n ASN 314 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2wnh s ILE 315 N -1.13 2.52 0.82 -1.44 1.01 -1.26 -5.01 121.20 116.71 2wnh s ILE 315 Ca 0.57 -3.15 -0.11 0.00 0.00 0.00 0.00 60.65 57.95 2wnh s ILE 315 Cb -0.54 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.25 2wnh s ILE 315 CO 0.61 -0.77 1.13 -2.84 0.00 0.00 0.00 174.94 173.07 2wnh s PRO 316 N -0.09 1.75 0.28 2.79 0.02 -1.26 -4.94 135.00 133.55 2wnh s PRO 316 Ca 0.16 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 2wnh s PRO 316 Cb -0.25 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 2wnh s PRO 316 CO -0.01 -2.06 1.55 -0.35 -0.33 0.00 0.00 177.00 175.80 2wnh n PRO 317 N -3.68 2.56 -0.95 5.54 -0.04 -1.26 -2.12 135.00 135.06 2wnh n PRO 317 Ca 0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2wnh n PRO 317 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2wnh n PRO 317 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnh n GLY 318 N 2.13 0.49 3.84 0.55 0.00 -0.51 -4.82 105.19 106.86 2wnh n GLY 318 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2wnh n GLY 318 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnh s SER 319 N -2.26 4.33 0.03 1.61 1.04 -0.90 -4.75 113.70 112.79 2wnh s SER 319 Ca 0.00 1.03 -0.26 0.00 0.48 0.00 0.00 55.95 57.21 2wnh s SER 319 Cb 0.00 -1.67 0.06 0.00 0.10 0.00 0.00 66.02 64.52 2wnh s SER 319 CO 0.00 -2.04 0.59 -0.94 0.98 0.00 0.00 173.24 171.83 2wnh s SER 320 N -4.19 -0.55 -0.14 7.02 1.04 -0.55 -0.63 113.70 115.70 2wnh s SER 320 Ca 0.62 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 2wnh s SER 320 Cb -0.13 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2wnh s SER 320 CO 0.52 -0.71 0.26 -0.76 0.98 0.00 0.00 173.24 173.53 2wnh s LEU 321 N -1.77 4.29 -0.05 2.42 1.43 -0.20 -1.04 118.68 123.76 2wnh s LEU 321 Ca -0.07 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2wnh s LEU 321 Cb -0.01 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2wnh s LEU 321 CO 0.01 0.18 -0.17 -0.69 0.23 0.00 0.00 176.35 175.91 2wnh s VAL 322 N 0.07 1.42 -0.14 -1.59 1.01 0.20 -0.44 120.40 120.94 2wnh s VAL 322 Ca 0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2wnh s VAL 322 Cb -0.13 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2wnh s VAL 322 CO 0.04 0.41 -0.12 -0.76 0.00 0.00 0.00 175.10 174.68 2wnh s LEU 323 N 0.19 2.77 -0.09 3.92 1.43 0.38 -1.61 118.68 125.67 2wnh s LEU 323 Ca -0.07 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2wnh s LEU 323 Cb -0.13 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2wnh s LEU 323 CO 0.03 0.15 -0.21 -1.61 0.23 0.00 0.00 176.35 174.93 2wnh s GLU 324 N 0.47 2.70 -0.26 1.70 2.02 -0.03 -0.79 118.70 124.52 2wnh s GLU 324 Ca -0.08 -0.77 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2wnh s GLU 324 Cb -0.16 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 2wnh s GLU 324 CO 0.04 0.15 0.15 0.50 0.02 0.00 0.00 175.26 176.12 2wnh s ARG 325 N 0.40 3.94 0.06 1.61 3.52 -0.13 -0.45 118.95 127.89 2wnh s ARG 325 Ca -0.17 -0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 2wnh s ARG 325 Cb -0.17 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2wnh s ARG 325 CO 0.08 -0.08 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.75 2wnh s TRP 326 N 1.43 2.60 -0.04 5.12 0.52 0.08 -0.73 118.94 127.93 2wnh s TRP 326 Ca 0.07 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.03 2wnh s TRP 326 Cb -0.15 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 2wnh s TRP 326 CO 0.07 0.30 -0.23 0.50 0.02 0.00 0.00 176.95 177.61 2wnh s ARG 327 N -1.62 2.11 -0.43 4.98 3.52 0.34 -0.86 118.95 126.99 2wnh s ARG 327 Ca 0.16 -0.83 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 2wnh s ARG 327 Cb -0.11 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.39 2wnh s ARG 327 CO 0.07 0.43 0.84 0.34 -0.81 0.00 0.00 175.30 176.17 2wnh s ASP 328 N -0.34 6.49 0.57 -2.12 2.15 -0.32 -0.26 116.67 122.83 2wnh s ASP 328 Ca 0.03 0.12 0.35 0.00 0.43 0.00 0.00 52.55 53.48 2wnh s ASP 328 Cb -0.11 -2.41 1.54 0.00 -0.30 0.00 0.00 42.92 41.64 2wnh s ASP 328 CO 0.01 -0.91 2.05 0.00 -0.17 0.00 0.00 175.17 176.15 2wnh h ALA 329 N 8.86 1.01 0.16 3.66 0.00 -1.12 0.69 119.26 132.52 2wnh h ALA 329 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2wnh h ALA 329 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wnh h ALA 329 CO 0.97 0.02 -0.08 0.87 0.00 0.00 0.00 179.25 181.03 2wnh h LYS 330 N 0.00 -0.21 0.00 0.00 1.57 -1.89 -3.37 116.57 112.66 2wnh h LYS 330 Ca -0.00 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2wnh h LYS 330 Cb 0.43 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2wnh h LYS 330 CO 0.00 0.12 -1.03 0.66 -0.57 0.00 0.00 179.45 178.63 2wnh h SER 331 N -0.98 0.00 0.00 0.86 4.64 -1.84 -3.48 113.55 112.75 2wnh h SER 331 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2wnh h SER 331 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wnh h SER 331 CO 0.04 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2wnh n GLY 332 N 1.31 0.86 3.77 -0.77 0.00 0.24 -5.03 105.19 105.56 2wnh n GLY 332 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2wnh n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wnh s GLU 333 N -0.15 3.88 0.05 1.61 2.02 -1.23 -4.74 118.70 120.14 2wnh s GLU 333 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 54.97 56.81 2wnh s GLU 333 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2wnh s GLU 333 CO 0.00 -0.45 -0.08 1.03 0.02 0.00 0.00 175.26 175.78 2wnh s ARG 334 N -2.57 2.37 0.07 1.61 0.52 -1.26 -1.18 118.95 118.51 2wnh s ARG 334 Ca 0.61 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2wnh s ARG 334 Cb -0.29 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 2wnh s ARG 334 CO 0.35 0.56 -0.07 0.71 0.02 0.00 0.00 175.30 176.87 2wnh s TYR 335 N -1.09 0.76 -0.06 -0.53 1.51 -0.04 -1.85 117.35 116.05 2wnh s TYR 335 Ca 0.19 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2wnh s TYR 335 Cb -0.11 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2wnh s TYR 335 CO 0.10 -0.12 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.12 2wnh s LEU 336 N -2.23 2.79 -0.07 -1.29 2.96 0.14 -0.74 118.68 120.24 2wnh s LEU 336 Ca -0.00 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2wnh s LEU 336 Cb -0.03 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2wnh s LEU 336 CO -0.02 0.33 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.53 2wnh s ARG 337 N -0.63 2.65 -0.06 1.98 3.52 0.40 -0.17 118.95 126.64 2wnh s ARG 337 Ca 0.09 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2wnh s ARG 337 Cb -0.11 -2.28 0.02 0.00 -1.56 0.00 0.00 34.95 31.01 2wnh s ARG 337 CO 0.01 0.42 -0.07 0.08 -0.81 0.00 0.00 175.30 174.93 2wnh s VAL 338 N -0.24 0.77 0.20 7.11 1.01 -1.26 -0.85 120.40 127.15 2wnh s VAL 338 Ca -0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 2wnh s VAL 338 Cb -0.13 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2wnh s VAL 338 CO 0.03 0.28 0.51 -0.72 0.00 0.00 0.00 175.10 175.20 2wnh s TYR 339 N 0.96 -0.02 -0.02 5.22 1.13 -0.63 -0.88 117.35 123.10 2wnh s TYR 339 Ca -0.10 -0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.30 2wnh s TYR 339 Cb -0.15 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 2wnh s TYR 339 CO 0.00 -0.92 -0.24 0.12 -2.51 0.00 0.00 175.55 172.00 2wnh s PHE 340 N -3.90 2.39 0.04 -3.49 5.36 -0.54 -0.63 117.98 117.20 2wnh s PHE 340 Ca 0.11 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 2wnh s PHE 340 Cb -0.01 -1.52 -0.02 0.00 -0.34 0.00 0.00 43.02 41.13 2wnh s PHE 340 CO -0.01 0.00 -0.09 1.14 -1.46 0.00 0.00 175.22 174.81 2wnh s GLN 341 N -0.65 0.58 0.21 10.12 -2.07 -0.21 -1.77 119.66 125.87 2wnh s GLN 341 Ca 0.10 -0.69 -0.18 0.00 -1.82 0.00 0.00 55.36 52.77 2wnh s GLN 341 Cb -0.10 -0.43 0.03 0.00 -1.09 0.00 0.00 33.01 31.42 2wnh s GLN 341 CO -0.01 0.09 0.54 0.00 -1.32 0.00 0.00 175.29 174.60 2wnh s ALA 342 N -1.13 -0.94 0.22 2.60 0.00 -0.28 -1.48 121.76 120.77 2wnh s ALA 342 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2wnh s ALA 342 Cb -0.09 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 2wnh s ALA 342 CO 0.01 -0.83 0.50 -0.65 0.00 0.00 0.00 175.76 174.79 2wnh s GLN 343 N -3.88 3.70 0.91 0.00 -0.21 -1.26 -0.67 119.66 118.24 2wnh s GLN 343 Ca 0.10 0.08 -0.12 0.00 0.02 0.00 0.00 55.36 55.45 2wnh s GLN 343 Cb -0.01 -2.70 0.14 0.00 1.00 0.00 0.00 33.01 31.43 2wnh s GLN 343 CO -0.01 0.33 1.09 0.20 -2.12 0.00 0.00 175.29 174.78 2wnh s GLY 344 N -2.63 1.60 0.09 3.09 0.00 -1.26 -4.82 107.32 103.39 2wnh s GLY 344 Ca 0.44 -0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.78 2wnh s GLY 344 CO 0.25 0.36 1.74 1.41 0.00 0.00 0.00 173.10 176.85 2wnh h LEU 345 N -1.60 0.01 -0.56 0.66 3.38 -1.93 -1.25 115.31 114.02 2wnh h LEU 345 Ca -0.51 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 2wnh h LEU 345 Cb 1.30 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2wnh h LEU 345 CO 0.56 0.02 -0.28 0.44 0.09 0.00 0.00 178.44 179.26 2wnh h ASP 346 N 0.01 0.89 -0.68 -0.43 3.32 -1.96 -1.83 116.42 115.74 2wnh h ASP 346 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.73 2wnh h ASP 346 Cb 0.01 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2wnh h ASP 346 CO -0.00 1.11 0.41 0.44 -1.72 0.00 0.00 179.24 179.48 2wnh h ASP 347 N 0.73 0.67 -0.09 6.45 3.32 -1.87 0.51 116.42 126.13 2wnh h ASP 347 Ca 0.08 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2wnh h ASP 347 Cb 0.83 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2wnh h ASP 347 CO 0.07 0.46 0.04 -0.07 -1.72 0.00 0.00 179.24 178.02 2wnh h LEU 348 N 0.80 0.11 -1.01 1.55 3.38 -1.12 -0.67 115.31 118.36 2wnh h LEU 348 Ca 0.28 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2wnh h LEU 348 Cb 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2wnh h LEU 348 CO -0.12 0.21 0.65 -0.09 0.09 0.00 0.00 178.44 179.18 2wnh h ARG 349 N 0.01 1.10 -0.01 1.13 2.43 -0.95 -2.35 114.38 115.74 2wnh h ARG 349 Ca 0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wnh h ARG 349 Cb 0.13 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2wnh h ARG 349 CO -0.00 0.73 -0.15 0.54 -1.51 0.00 0.00 179.97 179.58 2wnh n ARG 350 N -4.53 1.15 -3.79 0.20 1.74 0.14 -4.46 116.66 107.10 2wnh n ARG 350 Ca 0.16 -0.66 -0.28 0.00 -0.77 0.00 0.00 57.85 56.31 2wnh n ARG 350 Cb 0.23 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 2wnh n ARG 350 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wnh n LEU 351 N -0.35 -2.90 -4.69 0.55 4.77 -0.60 -4.94 117.00 108.85 2wnh n LEU 351 Ca 0.15 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 2wnh n LEU 351 Cb 0.34 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.67 2wnh n LEU 351 CO 0.22 0.53 1.12 -1.58 -1.33 0.00 0.00 177.39 176.36 2wnh s GLN 352 N -6.47 4.28 0.21 3.23 2.00 -0.36 -5.00 119.66 117.55 2wnh s GLN 352 Ca 0.61 1.97 -0.30 0.00 -2.00 0.00 0.00 55.36 55.63 2wnh s GLN 352 Cb -0.29 -3.58 -0.09 0.00 0.80 0.00 0.00 33.01 29.85 2wnh s GLN 352 CO 0.79 -0.58 1.26 -0.08 -0.50 0.00 0.00 175.29 176.18 2wnh s THR 353 N 2.44 3.28 -1.28 -0.34 -1.32 -1.26 -4.85 115.64 112.30 2wnh s THR 353 Ca 0.64 1.09 -0.17 0.00 -1.21 0.00 0.00 61.69 62.04 2wnh s THR 353 Cb -0.31 -3.70 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 2wnh s THR 353 CO 0.26 0.18 2.01 -0.81 -2.21 0.00 0.00 174.62 174.06 2wnh n PRO 354 N 2.31 2.64 -0.37 7.08 -0.04 -1.26 -4.74 135.00 140.62 2wnh n PRO 354 Ca 0.04 -2.68 -0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2wnh n PRO 354 Cb 0.43 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 2wnh n PRO 354 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wnh n ASP 355 N 7.76 0.00 -0.08 3.54 5.68 -1.23 -4.59 116.55 127.63 2wnh n ASP 355 Ca 0.50 -1.00 0.03 0.00 -0.50 0.00 0.00 54.79 53.82 2wnh n ASP 355 Cb 0.42 -0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.76 2wnh n ASP 355 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wnh h ALA 356 N -1.09 1.61 0.00 2.12 0.00 -2.00 -1.79 119.26 118.11 2wnh h ALA 356 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2wnh h ALA 356 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wnh h ALA 356 CO 0.00 0.36 -0.25 1.96 0.00 0.00 0.00 179.25 181.32 2wnh h GLN 357 N 0.72 0.00 -2.11 0.00 7.50 -1.95 -3.36 115.11 115.91 2wnh h GLN 357 Ca 0.19 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.78 2wnh h GLN 357 Cb -0.07 0.00 -0.41 0.00 0.05 0.00 0.00 27.48 27.05 2wnh h GLN 357 CO -0.04 0.25 -0.88 0.72 -1.50 0.00 0.00 178.83 177.37 2wnh n HIS 358 N -3.20 1.81 -1.70 2.96 8.25 -0.69 -5.11 115.22 117.53 2wnh n HIS 358 Ca 0.02 -3.88 -0.33 0.00 -0.26 0.00 0.00 57.72 53.28 2wnh n HIS 358 Cb 0.58 -0.45 0.05 0.00 1.12 0.00 0.00 29.99 31.29 2wnh n HIS 358 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wnh s PRO 359 N -2.27 2.71 0.38 -0.41 0.04 -1.07 -3.53 135.00 130.85 2wnh s PRO 359 Ca 0.40 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 2wnh s PRO 359 Cb 0.22 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.70 2wnh s PRO 359 CO -0.08 -1.32 0.88 -1.33 0.04 0.00 0.00 177.00 175.19 2wnh n MET 360 N -2.50 1.11 -2.66 4.56 2.81 -1.26 -4.93 117.12 114.25 2wnh n MET 360 Ca 0.11 0.40 -0.41 0.00 -1.81 0.00 0.00 57.70 55.98 2wnh n MET 360 Cb 0.52 -1.83 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 2wnh n MET 360 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wnh s LEU 361 N 0.35 4.47 -0.01 4.03 1.43 0.15 -4.92 118.68 124.17 2wnh s LEU 361 Ca 0.62 1.86 -0.05 0.00 -1.03 0.00 0.00 54.13 55.53 2wnh s LEU 361 Cb -0.61 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.02 2wnh s LEU 361 CO 0.58 -0.16 0.12 -0.60 0.23 0.00 0.00 176.35 176.52 2wnh s ARG 362 N 0.13 0.35 -0.01 1.70 3.52 -1.26 -1.12 118.95 122.26 2wnh s ARG 362 Ca 0.49 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 2wnh s ARG 362 Cb -0.25 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.29 2wnh s ARG 362 CO 0.31 -0.07 -0.03 -1.14 -0.81 0.00 0.00 175.30 173.55 2wnh s GLN 363 N -0.87 0.37 0.07 5.12 0.74 -0.73 -5.00 119.66 119.37 2wnh s GLN 363 Ca -0.10 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2wnh s GLN 363 Cb -0.05 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.61 2wnh s GLN 363 CO 0.01 0.03 0.18 -1.21 -0.55 0.00 0.00 175.29 173.74 2wnh s GLU 364 N 0.23 3.29 0.35 1.67 2.02 -1.26 -1.47 118.70 123.53 2wnh s GLU 364 Ca -0.02 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 2wnh s GLU 364 Cb -0.05 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 2wnh s GLU 364 CO -0.00 0.59 0.77 -0.46 0.02 0.00 0.00 175.26 176.18 2wnh s TRP 365 N -1.50 3.38 0.15 1.61 -0.00 -0.06 -4.98 118.94 117.55 2wnh s TRP 365 Ca 0.33 1.24 -0.16 0.00 -0.00 0.00 0.00 56.10 57.51 2wnh s TRP 365 Cb -0.13 -2.56 0.03 0.00 -0.00 0.00 0.00 33.47 30.81 2wnh s TRP 365 CO 0.26 0.02 0.42 -0.98 -0.00 0.00 0.00 176.95 176.68 2wnh s ARG 366 N -3.19 1.16 0.21 5.86 1.70 -1.26 -4.66 118.95 118.76 2wnh s ARG 366 Ca 0.55 -0.80 -0.07 0.00 -0.47 0.00 0.00 55.73 54.94 2wnh s ARG 366 Cb -0.10 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2wnh s ARG 366 CO 0.20 -0.46 0.29 1.14 -1.08 0.00 0.00 175.30 175.38 2wnh s GLN 367 N -3.84 1.30 0.30 3.89 -2.07 -1.26 -5.08 119.66 112.91 2wnh s GLN 367 Ca 0.06 -1.37 -0.29 0.00 -1.82 0.00 0.00 55.36 51.94 2wnh s GLN 367 Cb 0.01 0.37 -0.13 0.00 -1.09 0.00 0.00 33.01 32.17 2wnh s GLN 367 CO -0.08 -0.48 1.26 -2.30 -1.32 0.00 0.00 175.29 172.37 2wnh n PRO 368 N -0.29 1.94 0.00 9.60 -0.02 -1.26 -1.91 135.00 143.06 2wnh n PRO 368 Ca -0.02 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2wnh n PRO 368 Cb 0.64 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wnh n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnh n GLY 369 N 1.23 2.70 3.74 -1.23 0.00 -1.26 -5.00 105.19 105.36 2wnh n GLY 369 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2wnh n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnh s ARG 371 N -3.34 1.15 0.08 0.00 1.70 0.00 -4.97 118.95 113.58 2wnh s ARG 371 Ca 0.81 -0.98 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 2wnh s ARG 371 Cb -0.36 -1.29 -0.06 0.00 -0.57 0.00 0.00 34.95 32.68 2wnh s ARG 371 CO 0.38 0.31 1.14 -1.14 -1.08 0.00 0.00 175.30 174.91 2wnh s GLN 372 N -1.46 4.50 0.32 3.89 2.00 -1.26 -1.34 119.66 126.30 2wnh s GLN 372 Ca 0.05 1.70 0.03 0.00 -2.00 0.00 0.00 55.36 55.14 2wnh s GLN 372 Cb -0.09 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 2wnh s GLN 372 CO 0.03 -0.13 0.12 0.95 -0.50 0.00 0.00 175.29 175.75 2wnh s THR 373 N 0.68 0.62 -0.41 -0.34 -4.23 -0.47 -4.96 115.64 106.53 2wnh s THR 373 Ca 0.55 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.30 2wnh s THR 373 Cb -0.28 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.23 2wnh s THR 373 CO 0.31 0.00 1.72 -0.67 -0.54 0.00 0.00 174.62 175.43 2wnh n ASP 374 N -0.82 0.68 -0.75 3.99 2.03 -1.26 -2.42 116.55 118.01 2wnh n ASP 374 Ca -0.01 0.69 0.07 0.00 0.52 0.00 0.00 54.79 56.05 2wnh n ASP 374 Cb 0.66 -0.83 0.20 0.00 -0.72 0.00 0.00 41.12 40.43 2wnh n ASP 374 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2wnh n VAL 375 N -2.28 1.56 0.00 5.18 0.24 -1.26 -5.09 118.33 116.69 2wnh n VAL 375 Ca 0.02 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 2wnh n VAL 375 Cb 0.20 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 2wnh n VAL 375 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wnh n GLY 376 N 0.06 0.02 3.60 7.63 0.00 -1.01 -4.96 105.19 110.53 2wnh n GLY 376 Ca 0.16 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2wnh n GLY 376 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wnh s THR 377 N 0.00 4.46 -0.10 2.61 2.01 -1.26 -1.37 115.64 121.98 2wnh s THR 377 Ca 0.00 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.24 2wnh s THR 377 Cb 0.00 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 2wnh s THR 377 CO 0.00 -0.69 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.36 2wnh s LEU 378 N 3.80 2.82 -0.12 4.42 1.02 -0.45 -4.45 118.68 125.73 2wnh s LEU 378 Ca 0.42 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.35 2wnh s LEU 378 Cb -0.10 -1.62 -0.00 0.00 0.02 0.00 0.00 46.19 44.48 2wnh s LEU 378 CO 0.23 0.23 -0.20 0.00 0.02 0.00 0.00 176.35 176.63 2wnh n PRO 380 N 3.64 0.23 0.17 0.00 -0.02 -1.26 0.24 135.00 138.00 2wnh n PRO 380 Ca -0.19 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.23 2wnh n PRO 380 Cb 0.53 -1.62 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 2wnh n PRO 380 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wnh h PHE 381 N 4.84 -0.91 -0.34 6.00 3.57 -1.66 -0.95 116.94 127.49 2wnh h PHE 381 Ca -0.46 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.07 2wnh h PHE 381 Cb 1.37 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 2wnh h PHE 381 CO 0.65 -0.46 0.19 0.37 -2.23 0.00 0.00 178.31 176.83 2wnh h GLN 382 N -0.64 0.38 -0.80 1.11 4.15 -1.87 -1.21 115.11 116.21 2wnh h GLN 382 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2wnh h GLN 382 Cb 0.61 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 2wnh h GLN 382 CO -0.12 0.25 0.44 0.00 -1.93 0.00 0.00 178.83 177.48 2wnh h ALA 383 N 1.16 1.26 0.22 3.38 0.00 -1.88 -1.80 119.26 121.61 2wnh h ALA 383 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wnh h ALA 383 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2wnh h ALA 383 CO -0.07 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 2wnh h ALA 384 N 1.36 -0.30 -0.81 0.00 0.00 -0.77 -1.06 119.26 117.69 2wnh h ALA 384 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2wnh h ALA 384 Cb 0.02 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2wnh h ALA 384 CO -0.05 -0.54 0.51 0.82 0.00 0.00 0.00 179.25 179.99 2wnh h ILE 385 N -0.56 1.09 -0.32 0.00 1.08 -1.15 -0.02 117.51 117.63 2wnh h ILE 385 Ca -0.03 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2wnh h ILE 385 Cb 0.41 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 2wnh h ILE 385 CO 0.05 0.18 0.19 0.74 -0.69 0.00 0.00 178.15 178.62 2wnh h THR 386 N 0.97 1.12 -0.54 -0.27 2.02 -1.27 -1.89 112.91 113.04 2wnh h THR 386 Ca 0.33 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2wnh h THR 386 Cb 0.06 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2wnh h THR 386 CO -0.13 0.12 0.06 0.00 0.37 0.00 0.00 175.52 175.94 2wnh h ALA 387 N 1.07 0.73 0.00 6.16 0.00 -0.76 -2.83 119.26 123.63 2wnh h ALA 387 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wnh h ALA 387 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wnh h ALA 387 CO -0.02 0.49 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 2wnh h LEU 388 N 0.80 0.00 -1.36 0.00 3.38 -0.86 -2.98 115.31 114.30 2wnh h LEU 388 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wnh h LEU 388 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2wnh h LEU 388 CO 0.02 0.18 -0.05 0.61 0.09 0.00 0.00 178.44 179.28 2wnh n GLY 389 N -0.47 0.40 0.32 0.83 0.00 -0.72 -4.31 105.19 101.23 2wnh n GLY 389 Ca -0.01 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.50 2wnh n GLY 389 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wnh h GLN 390 N 3.32 0.47 -0.01 1.61 5.75 -1.35 -1.97 115.11 122.93 2wnh h GLN 390 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2wnh h GLN 390 Cb 0.74 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.18 2wnh h GLN 390 CO 0.00 0.31 -0.30 0.54 -2.65 0.00 0.00 178.83 176.73 2wnh n ARG 391 N -4.48 0.72 -1.70 1.69 1.74 -1.26 -4.92 116.66 108.45 2wnh n ARG 391 Ca 0.04 -0.43 -0.44 0.00 -0.77 0.00 0.00 57.85 56.26 2wnh n ARG 391 Cb 0.14 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2wnh n ARG 391 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wnh n ILE 392 N -0.77 0.28 -3.06 0.55 5.41 -0.74 -4.87 119.36 116.16 2wnh n ILE 392 Ca 0.11 -0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 2wnh n ILE 392 Cb 0.35 -1.73 -0.06 0.00 -0.71 0.00 0.00 39.64 37.49 2wnh n ILE 392 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2wnh s ASP 393 N 0.84 6.30 0.23 4.38 2.15 -1.26 -4.99 116.67 124.32 2wnh s ASP 393 Ca 0.74 -0.50 -0.08 0.00 0.43 0.00 0.00 52.55 53.14 2wnh s ASP 393 Cb -0.59 -2.34 0.38 0.00 -0.30 0.00 0.00 42.92 40.06 2wnh s ASP 393 CO 0.39 -0.92 1.69 0.03 -0.17 0.00 0.00 175.17 176.19 2wnh h ARG 394 N 9.01 0.23 0.00 4.34 3.08 -1.94 0.72 114.38 129.82 2wnh h ARG 394 Ca -0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2wnh h ARG 394 Cb 1.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2wnh h ARG 394 CO 0.96 0.15 0.00 -2.30 -1.07 0.00 0.00 179.97 177.71 2wnh n PRO 395 N -5.17 0.15 -0.47 0.04 -0.02 -1.26 -1.81 135.00 126.45 2wnh n PRO 395 Ca 0.11 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 2wnh n PRO 395 Cb 0.39 -1.90 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 2wnh n PRO 395 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wnh n SER 396 N -2.20 4.13 -2.67 2.55 7.64 0.24 -4.65 113.62 118.65 2wnh n SER 396 Ca -0.00 -2.50 -0.24 0.00 1.01 0.00 0.00 58.87 57.14 2wnh n SER 396 Cb 0.10 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2wnh n SER 396 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wnh n ALA 397 N 0.55 4.56 -1.75 -0.43 0.00 -0.75 -2.99 120.51 119.70 2wnh n ALA 397 Ca 0.21 -4.22 -0.36 0.00 0.00 0.00 0.00 53.44 49.07 2wnh n ALA 397 Cb 0.79 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.61 2wnh n ALA 397 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wnh s PRO 398 N -3.40 2.86 0.23 0.00 0.04 -1.26 -4.89 135.00 128.59 2wnh s PRO 398 Ca 0.45 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2wnh s PRO 398 Cb 0.37 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.91 2wnh s PRO 398 CO -0.14 -1.31 1.21 0.00 0.04 0.00 0.00 177.00 176.79 2wnh s ALA 399 N -1.53 3.45 0.18 8.56 0.00 -1.26 -4.91 121.76 126.26 2wnh s ALA 399 Ca 0.79 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.83 2wnh s ALA 399 Cb -0.33 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 2wnh s ALA 399 CO 0.35 -0.38 0.01 0.14 0.00 0.00 0.00 175.76 175.88 2wnh s VAL 400 N -0.44 3.76 -0.26 0.00 -7.23 -1.26 -5.09 120.40 109.87 2wnh s VAL 400 Ca 0.51 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2wnh s VAL 400 Cb -0.34 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.70 2wnh s VAL 400 CO 0.40 -0.14 1.06 0.00 -0.31 0.00 0.00 175.10 176.11 2wnh s ALA 401 N -1.80 3.61 0.16 1.32 0.00 -1.26 -4.94 121.76 118.86 2wnh s ALA 401 Ca 0.28 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2wnh s ALA 401 Cb -0.09 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.46 2wnh s ALA 401 CO 0.19 -1.23 1.61 1.98 0.00 0.00 0.00 175.76 178.31 2wnh h MET 402 N 7.74 0.96 -5.98 0.00 4.05 -1.99 -3.40 114.93 116.30 2wnh h MET 402 Ca -0.20 -0.31 -0.59 0.00 -0.28 0.00 0.00 59.70 58.32 2wnh h MET 402 Cb 1.06 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.71 2wnh h MET 402 CO 1.00 0.98 0.68 0.08 0.23 0.00 0.00 176.91 179.88 2wnh s VAL 403 N -4.98 4.73 0.60 -5.77 1.01 -1.26 -4.98 120.40 109.74 2wnh s VAL 403 Ca -0.12 1.83 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 2wnh s VAL 403 Cb 0.12 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2wnh s VAL 403 CO 0.84 -0.16 0.99 -0.76 0.00 0.00 0.00 175.10 176.01 2wnh s LEU 404 N 3.10 3.29 0.65 3.92 1.43 -1.26 -5.04 118.68 124.76 2wnh s LEU 404 Ca 0.41 1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 54.67 2wnh s LEU 404 Cb -0.15 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 2wnh s LEU 404 CO 0.07 -0.83 1.11 -0.81 0.23 0.00 0.00 176.35 176.12 2wnh n PRO 405 N -2.68 0.89 0.00 1.29 -0.04 -1.26 -5.08 135.00 128.12 2wnh n PRO 405 Ca 0.05 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2wnh n PRO 405 Cb 0.54 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2wnh n PRO 405 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82