#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnh s ASP 8 N 0.00 5.51 0.68 6.43 1.01 -1.26 -5.03 116.67 124.00 2wnh s ASP 8 Ca 0.00 1.29 -0.17 0.00 0.71 0.00 0.00 52.55 54.38 2wnh s ASP 8 Cb 0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2wnh s ASP 8 CO 0.00 -1.32 1.20 -2.65 0.21 0.00 0.00 175.17 172.61 2wnh n PRO 9 N -3.02 0.87 -1.12 8.23 -0.02 -1.26 -4.95 135.00 133.73 2wnh n PRO 9 Ca 0.07 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 2wnh n PRO 9 Cb 0.56 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.72 2wnh n PRO 9 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wnh n PRO 10 N -2.00 0.20 -2.04 0.52 -0.02 -1.26 -4.94 135.00 125.46 2wnh n PRO 10 Ca 0.15 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 2wnh n PRO 10 Cb 0.48 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2wnh n PRO 10 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wnh s PRO 11 N -3.98 3.36 -0.15 0.52 0.04 -1.26 -4.95 135.00 128.57 2wnh s PRO 11 Ca 0.73 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2wnh s PRO 11 Cb -0.30 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 2wnh s PRO 11 CO 0.51 -0.93 -0.12 0.54 0.04 0.00 0.00 177.00 177.05 2wnh n ARG 12 N -0.94 0.48 0.22 4.56 5.12 -1.26 -4.66 116.66 120.18 2wnh n ARG 12 Ca 0.10 0.08 0.09 0.00 -1.93 0.00 0.00 57.85 56.19 2wnh n ARG 12 Cb 0.47 -1.30 0.49 0.00 -1.16 0.00 0.00 32.46 30.96 2wnh n ARG 12 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2wnh h ASP 13 N 0.00 0.00 -3.66 0.55 3.32 -1.94 -3.41 116.42 111.28 2wnh h ASP 13 Ca -0.34 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.04 2wnh h ASP 13 Cb 1.54 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.82 2wnh h ASP 13 CO -0.05 0.25 -0.78 0.26 -1.72 0.00 0.00 179.24 177.19 2wnh s TRP 14 N -3.81 2.72 -0.09 4.55 0.52 -1.26 -1.00 118.94 120.57 2wnh s TRP 14 Ca -0.01 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.65 2wnh s TRP 14 Cb 0.11 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 2wnh s TRP 14 CO 0.64 -0.07 -0.14 -1.14 0.02 0.00 0.00 176.95 176.26 2wnh s GLN 15 N -0.11 2.04 -0.16 4.98 0.74 0.13 -4.69 119.66 122.59 2wnh s GLN 15 Ca -0.02 -0.51 -0.27 0.00 0.05 0.00 0.00 55.36 54.61 2wnh s GLN 15 Cb -0.14 -1.72 -0.01 0.00 1.10 0.00 0.00 33.01 32.24 2wnh s GLN 15 CO 0.04 -0.03 0.90 -1.17 -0.55 0.00 0.00 175.29 174.48 2wnh s LEU 16 N 0.88 4.18 -0.21 3.68 2.96 -1.26 -0.68 118.68 128.23 2wnh s LEU 16 Ca -0.09 1.29 0.12 0.00 -0.22 0.00 0.00 54.13 55.22 2wnh s LEU 16 Cb -0.15 -3.36 -0.22 0.00 0.50 0.00 0.00 46.19 42.96 2wnh s LEU 16 CO 0.01 -0.45 0.03 -0.62 -1.32 0.00 0.00 176.35 173.99 2wnh n GLU 17 N 5.33 0.68 -3.63 1.98 1.02 0.28 -4.66 120.64 121.63 2wnh n GLU 17 Ca 0.07 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 2wnh n GLU 17 Cb 0.48 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.51 0.75 -0.08 3.49 2.47 -1.14 -4.81 119.74 117.91 2wnh s LYS 18 Ca -0.18 0.98 0.04 0.00 -1.56 0.00 0.00 55.97 55.26 2wnh s LYS 18 Cb 0.07 0.32 -0.01 0.00 -1.46 0.00 0.00 37.83 36.75 2wnh s LYS 18 CO 0.76 -0.10 -0.22 0.08 0.16 0.00 0.00 175.35 176.02 2wnh s VAL 19 N 0.66 2.28 -0.15 4.02 1.01 -0.26 -1.10 120.40 126.86 2wnh s VAL 19 Ca -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2wnh s VAL 19 Cb -0.05 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2wnh s VAL 19 CO -0.05 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 2wnh s VAL 20 N 0.03 1.88 -0.04 2.92 1.01 0.47 -0.52 120.40 126.15 2wnh s VAL 20 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2wnh s VAL 20 Cb -0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2wnh s VAL 20 CO 0.05 0.51 -0.15 -0.70 0.00 0.00 0.00 175.10 174.82 2wnh s GLU 21 N 1.11 1.54 -0.29 2.72 2.12 0.23 -0.43 118.70 125.69 2wnh s GLU 21 Ca -0.01 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2wnh s GLU 21 Cb -0.14 -1.36 0.06 0.00 0.26 0.00 0.00 34.13 32.95 2wnh s GLU 21 CO -0.07 0.20 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.65 2wnh s LEU 22 N 0.10 3.88 -0.01 2.70 2.96 -0.02 -0.04 118.68 128.25 2wnh s LEU 22 Ca -0.04 -1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 52.41 2wnh s LEU 22 Cb -0.11 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2wnh s LEU 22 CO 0.02 -0.26 0.08 -0.55 -1.32 0.00 0.00 176.35 174.32 2wnh s SER 23 N 1.19 5.67 0.48 3.68 0.15 0.20 -0.97 113.70 124.10 2wnh s SER 23 Ca -0.04 0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.57 2wnh s SER 23 Cb -0.20 -1.63 -0.09 0.00 -1.71 0.00 0.00 66.02 62.39 2wnh s SER 23 CO -0.04 0.28 0.98 -0.60 1.20 0.00 0.00 173.24 175.06 2wnh s ARG 24 N -1.69 4.03 0.96 5.44 3.52 -0.06 -0.91 118.95 130.24 2wnh s ARG 24 Ca 0.22 1.04 -0.10 0.00 -0.13 0.00 0.00 55.73 56.76 2wnh s ARG 24 Cb -0.12 -2.15 0.17 0.00 -1.56 0.00 0.00 34.95 31.29 2wnh s ARG 24 CO 0.13 -0.20 1.13 -3.38 -0.81 0.00 0.00 175.30 172.17 2wnh s HIS 25 N -2.43 1.53 0.15 5.12 -3.43 -0.51 -3.45 115.29 112.27 2wnh s HIS 25 Ca 0.61 1.73 -0.03 0.00 -0.80 0.00 0.00 55.06 56.57 2wnh s HIS 25 Cb -0.10 -3.32 0.04 0.00 -1.43 0.00 0.00 32.58 27.76 2wnh s HIS 25 CO 0.24 -3.02 0.18 0.41 -2.00 0.00 0.00 174.74 170.55 2wnh n GLY 26 N 0.37 -1.61 3.68 -1.38 0.00 -1.26 -0.97 105.19 104.03 2wnh n GLY 26 Ca 0.11 -1.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 2wnh n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wnh n ILE 27 N -2.45 0.45 -4.23 -0.61 5.41 -1.26 -4.71 119.36 111.96 2wnh n ILE 27 Ca 0.02 -0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.51 2wnh n ILE 27 Cb 0.08 -1.62 -0.10 0.00 -0.71 0.00 0.00 39.64 37.29 2wnh n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wnh s ARG 28 N 0.30 1.00 1.12 0.38 1.70 -1.26 -1.32 118.95 120.88 2wnh s ARG 28 Ca 0.73 -1.36 -0.17 0.00 -0.47 0.00 0.00 55.73 54.46 2wnh s ARG 28 Cb -0.63 -0.64 0.25 0.00 -0.57 0.00 0.00 34.95 33.37 2wnh s ARG 28 CO 0.43 0.09 1.12 -2.14 -1.08 0.00 0.00 175.30 173.72 2wnh s PRO 29 N -3.39 -0.54 0.69 3.89 0.02 -1.25 -4.85 135.00 129.57 2wnh s PRO 29 Ca 0.13 0.07 -0.17 0.00 0.02 0.00 0.00 61.00 61.05 2wnh s PRO 29 Cb 0.00 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.83 2wnh s PRO 29 CO 0.01 -3.28 0.78 -0.35 -0.33 0.00 0.00 177.00 173.82 2wnh n PRO 30 N -4.48 0.50 -1.35 5.54 -0.04 -1.26 -3.31 135.00 130.60 2wnh n PRO 30 Ca 0.11 0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 63.49 2wnh n PRO 30 Cb 0.59 -2.03 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.79 2.84 0.21 0.52 -4.23 -1.26 -1.60 115.64 110.33 2wnh s THR 31 Ca 0.71 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.39 2wnh s THR 31 Cb -0.37 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 70.75 2wnh s THR 31 CO 0.52 -0.35 1.74 0.00 -0.54 0.00 0.00 174.62 175.99 2wnh h ALA 32 N -1.35 0.75 -0.37 3.99 0.00 -1.94 -0.48 119.26 119.88 2wnh h ALA 32 Ca -0.48 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wnh h ALA 32 Cb 1.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2wnh h ALA 32 CO 0.56 -0.21 0.24 0.78 0.00 0.00 0.00 179.25 180.62 2wnh h GLY 33 N 0.38 0.52 0.48 0.00 0.00 -2.00 -2.25 103.07 100.20 2wnh h GLY 33 Ca 0.30 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.49 2wnh h GLY 33 CO -0.31 0.20 0.07 3.43 0.00 0.00 0.00 176.54 179.92 2wnh h ASN 34 N 0.49 -0.02 -0.13 0.19 -0.26 -1.77 -2.30 115.58 111.79 2wnh h ASN 34 Ca 0.13 0.07 0.02 0.00 -0.56 0.00 0.00 56.30 55.96 2wnh h ASN 34 Cb -0.04 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 2wnh h ASN 34 CO -0.03 0.03 0.01 -0.09 -1.06 0.00 0.00 177.43 176.29 2wnh h ARG 35 N 0.19 0.06 -0.60 0.81 2.43 -0.81 -0.23 114.38 116.22 2wnh h ARG 35 Ca 0.19 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 2wnh h ARG 35 Cb 0.24 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.67 2wnh h ARG 35 CO -0.26 0.04 -0.04 0.93 -1.51 0.00 0.00 179.97 179.13 2wnh h GLU 36 N 0.06 0.08 -0.13 0.20 5.08 -1.17 0.03 114.58 118.73 2wnh h GLU 36 Ca 0.06 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2wnh h GLU 36 Cb 0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wnh h GLU 36 CO -0.09 0.05 -0.01 0.00 -1.00 0.00 0.00 179.01 177.97 2wnh h ALA 37 N 1.56 0.17 -0.05 3.43 0.00 -0.90 -2.07 119.26 121.40 2wnh h ALA 37 Ca 0.31 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2wnh h ALA 37 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wnh h ALA 37 CO -0.54 -0.12 -0.74 -0.84 0.00 0.00 0.00 179.25 177.01 2wnh h ILE 38 N -0.05 1.42 -0.22 0.00 3.07 -0.74 0.25 117.51 121.24 2wnh h ILE 38 Ca 0.04 -2.24 -0.15 0.00 1.55 0.00 0.00 64.86 64.05 2wnh h ILE 38 Cb 0.38 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 39.12 2wnh h ILE 38 CO 0.01 0.66 -0.49 -0.33 -1.05 0.00 0.00 178.15 176.95 2wnh h GLU 39 N 0.19 0.61 -0.28 0.16 5.08 -1.04 -2.59 114.58 116.72 2wnh h GLU 39 Ca -0.03 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2wnh h GLU 39 Cb 1.31 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2wnh h GLU 39 CO 0.12 0.96 -0.07 0.00 -1.00 0.00 0.00 179.01 179.02 2wnh h ALA 40 N 0.97 0.38 -0.60 3.43 0.00 -1.24 -1.21 119.26 121.00 2wnh h ALA 40 Ca 0.02 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.75 2wnh h ALA 40 Cb 1.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2wnh h ALA 40 CO 0.10 0.20 0.40 0.00 0.00 0.00 0.00 179.25 179.95 2wnh h ALA 41 N 0.77 2.04 -0.01 0.00 0.00 -0.85 -2.97 119.26 118.26 2wnh h ALA 41 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wnh h ALA 41 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wnh h ALA 41 CO 0.03 -0.18 -0.06 0.25 0.00 0.00 0.00 179.25 179.29 2wnh n THR 42 N -4.47 0.00 -2.30 0.00 -2.24 -0.98 -2.19 114.28 102.10 2wnh n THR 42 Ca 0.10 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 2wnh n THR 42 Cb 0.39 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.58 -0.23 3.35 3.38 0.00 -0.49 -4.73 105.19 107.06 2wnh n GLY 43 Ca 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.86 1.13 0.41 1.61 3.03 -1.03 -5.04 118.95 114.20 2wnh s ARG 44 Ca 0.00 -0.74 -0.24 0.00 2.03 0.00 0.00 55.73 56.78 2wnh s ARG 44 Cb 0.00 0.48 -0.09 0.00 -1.03 0.00 0.00 34.95 34.31 2wnh s ARG 44 CO 0.00 -0.45 1.06 -1.25 -1.13 0.00 0.00 175.30 173.53 2wnh s PRO 45 N -3.82 4.10 0.27 3.89 0.04 -1.26 -4.43 135.00 133.79 2wnh s PRO 45 Ca 0.04 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.68 2wnh s PRO 45 Cb 0.01 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2wnh s PRO 45 CO -0.10 -0.20 0.22 -1.58 0.04 0.00 0.00 177.00 175.38 2wnh s TRP 46 N -1.67 3.08 0.19 0.56 0.52 -1.26 -5.06 118.94 115.29 2wnh s TRP 46 Ca 0.59 -0.15 -0.32 0.00 0.02 0.00 0.00 56.10 56.24 2wnh s TRP 46 Cb -0.22 -1.48 -0.15 0.00 -1.15 0.00 0.00 33.47 30.47 2wnh s TRP 46 CO 0.28 0.45 1.19 2.41 0.02 0.00 0.00 176.95 181.30 2wnh n THR 47 N -1.22 0.98 -3.25 2.01 -1.04 -1.26 -4.96 114.28 105.54 2wnh n THR 47 Ca -0.07 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.30 2wnh n THR 47 Cb 0.58 -0.96 -0.07 0.00 -1.82 0.00 0.00 70.33 68.06 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 -0.47 4.12 0.62 -2.82 0.41 -1.26 -5.01 118.70 114.29 2wnh s GLU 48 Ca 0.71 0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 55.55 2wnh s GLU 48 Cb -0.81 -3.61 0.02 0.00 -1.78 0.00 0.00 34.13 27.95 2wnh s GLU 48 CO 0.52 -0.26 0.95 -1.58 -0.49 0.00 0.00 175.26 174.40 2wnh s TRP 49 N 2.02 3.22 0.06 1.61 0.52 -1.26 -4.97 118.94 120.14 2wnh s TRP 49 Ca 0.22 0.68 0.29 0.00 0.02 0.00 0.00 56.10 57.31 2wnh s TRP 49 Cb -0.15 -2.85 1.08 0.00 -1.15 0.00 0.00 33.47 30.39 2wnh s TRP 49 CO 0.09 -0.96 1.88 1.15 0.02 0.00 0.00 176.95 179.13 2wnh h THR 50 N -0.31 0.23 -3.21 2.01 2.02 -2.04 -3.42 112.91 108.19 2wnh h THR 50 Ca -0.45 -0.82 -0.58 0.00 0.77 0.00 0.00 66.41 65.34 2wnh h THR 50 Cb 1.26 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.30 2wnh h THR 50 CO 0.61 0.09 -0.09 -0.89 0.37 0.00 0.00 175.52 175.61 2wnh s THR 51 N -3.61 4.84 0.37 3.16 2.01 -1.26 -5.06 115.64 116.09 2wnh s THR 51 Ca 0.01 1.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.76 2wnh s THR 51 Cb 0.09 -3.81 -0.12 0.00 0.01 0.00 0.00 72.50 68.68 2wnh s THR 51 CO 0.59 0.47 1.25 1.41 -0.69 0.00 0.00 174.62 177.65 2wnh n HIS 52 N 1.47 2.09 -1.57 4.92 -0.00 -1.26 -4.85 115.22 116.01 2wnh n HIS 52 Ca -0.10 0.55 -0.49 0.00 -0.00 0.00 0.00 57.72 57.68 2wnh n HIS 52 Cb 0.51 -2.38 -0.04 0.00 -0.00 0.00 0.00 29.99 28.08 2wnh n HIS 52 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2wnh n ASP 53 N 0.61 1.24 0.00 0.41 8.00 -1.26 -1.69 116.55 123.86 2wnh n ASP 53 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2wnh n ASP 53 Cb 0.37 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 2.02 1.54 3.97 0.44 0.00 -0.63 -4.65 105.19 107.88 2wnh n GLY 54 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.07 3.30 0.01 1.61 2.02 -0.68 -4.47 118.70 120.41 2wnh s GLU 55 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2wnh s GLU 55 Cb 0.00 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.38 2wnh s GLU 55 CO 0.00 0.19 1.22 -1.17 0.02 0.00 0.00 175.26 175.52 2wnh s LEU 56 N -4.15 4.33 0.71 1.80 2.96 -1.26 -3.97 118.68 119.09 2wnh s LEU 56 Ca 0.40 1.95 -0.11 0.00 -0.22 0.00 0.00 54.13 56.14 2wnh s LEU 56 Cb -0.09 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.04 2wnh s LEU 56 CO 0.32 -0.53 1.08 0.42 -1.32 0.00 0.00 176.35 176.31 2wnh s THR 57 N 1.63 3.72 0.15 3.68 -4.23 -0.43 -4.86 115.64 115.29 2wnh s THR 57 Ca 0.58 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 2wnh s THR 57 Cb -0.28 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.15 2wnh s THR 57 CO 0.26 -0.73 1.72 1.23 -0.54 0.00 0.00 174.62 176.56 2wnh h GLY 58 N -0.71 0.74 0.97 3.99 0.00 -1.95 0.88 103.07 106.98 2wnh h GLY 58 Ca -0.45 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.52 2wnh h GLY 58 CO 0.61 0.36 0.66 0.84 0.00 0.00 0.00 176.54 179.01 2wnh h HIS 59 N 0.62 1.25 -0.39 5.60 -0.00 -1.93 -0.22 115.15 120.08 2wnh h HIS 59 Ca 0.16 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2wnh h HIS 59 Cb 0.14 -0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 27.10 2wnh h HIS 59 CO -0.00 0.77 0.20 0.78 -0.00 0.00 0.00 177.93 179.68 2wnh h GLY 60 N 1.33 0.54 0.98 5.26 0.00 -1.61 0.06 103.07 109.63 2wnh h GLY 60 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2wnh h GLY 60 CO -0.09 0.11 0.06 -1.82 0.00 0.00 0.00 176.54 174.80 2wnh h TYR 61 N 0.41 0.12 -0.70 5.60 5.03 -0.15 -1.84 116.97 125.44 2wnh h TYR 61 Ca 0.16 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.54 2wnh h TYR 61 Cb 0.06 -0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.25 2wnh h TYR 61 CO -0.09 0.07 0.40 0.00 -1.32 0.00 0.00 178.16 177.22 2wnh h ALA 62 N 1.05 0.94 -0.62 1.82 0.00 -0.72 0.11 119.26 121.85 2wnh h ALA 62 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wnh h ALA 62 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wnh h ALA 62 CO -0.02 0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.49 2wnh h ALA 63 N 1.35 1.12 -0.33 0.00 0.00 -0.82 -1.95 119.26 118.63 2wnh h ALA 63 Ca 0.31 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wnh h ALA 63 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wnh h ALA 63 CO -0.18 0.60 -0.18 0.28 0.00 0.00 0.00 179.25 179.77 2wnh h VAL 64 N 0.92 1.29 -0.79 0.00 2.07 -0.63 -2.67 116.25 116.44 2wnh h VAL 64 Ca 0.20 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.54 2wnh h VAL 64 Cb 0.31 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 2wnh h VAL 64 CO -0.00 0.42 0.40 0.58 0.02 0.00 0.00 177.57 178.99 2wnh h VAL 65 N 0.48 0.79 -0.43 2.57 2.07 -0.59 0.12 116.25 121.26 2wnh h VAL 65 Ca 0.07 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2wnh h VAL 65 Cb 0.72 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2wnh h VAL 65 CO 0.05 0.11 0.28 0.78 0.02 0.00 0.00 177.57 178.82 2wnh h ASN 66 N 0.63 0.49 -0.27 0.57 -0.26 -1.09 0.17 115.58 115.82 2wnh h ASN 66 Ca 0.41 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.11 2wnh h ASN 66 Cb 0.51 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 2wnh h ASN 66 CO -0.32 0.35 0.08 0.50 -1.06 0.00 0.00 177.43 176.99 2wnh h LYS 67 N 0.58 0.42 -0.95 0.81 3.11 -1.12 -2.65 116.57 116.77 2wnh h LYS 67 Ca 0.16 -0.10 0.02 0.00 -2.81 0.00 0.00 60.65 57.92 2wnh h LYS 67 Cb -0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.06 2wnh h LYS 67 CO -0.04 0.50 0.63 0.78 -2.81 0.00 0.00 179.45 178.51 2wnh h GLY 68 N 0.27 1.35 0.82 5.01 0.00 -0.59 -0.91 103.07 109.02 2wnh h GLY 68 Ca 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wnh h GLY 68 CO -0.00 0.47 0.03 -0.09 0.00 0.00 0.00 176.54 176.95 2wnh h ARG 69 N 1.27 0.20 -0.42 4.80 2.43 -0.57 0.60 114.38 122.68 2wnh h ARG 69 Ca 0.35 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2wnh h ARG 69 Cb -0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2wnh h ARG 69 CO -0.08 0.36 -0.06 0.93 -1.51 0.00 0.00 179.97 179.61 2wnh h GLU 70 N -0.00 0.72 -0.31 0.20 4.39 -1.29 -2.03 114.58 116.26 2wnh h GLU 70 Ca 0.04 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 2wnh h GLU 70 Cb 0.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2wnh h GLU 70 CO 0.00 0.77 0.10 1.49 -1.16 0.00 0.00 179.01 180.21 2wnh h GLU 71 N 0.66 0.48 -0.78 2.33 4.81 -0.94 -0.48 114.58 120.66 2wnh h GLU 71 Ca 0.12 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2wnh h GLU 71 Cb 0.50 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2wnh h GLU 71 CO 0.03 0.52 0.39 0.78 -0.73 0.00 0.00 179.01 179.99 2wnh h GLY 72 N 0.34 1.20 1.00 1.92 0.00 -0.69 -0.97 103.07 105.87 2wnh h GLY 72 Ca 0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2wnh h GLY 72 CO -0.00 0.56 0.33 1.46 0.00 0.00 0.00 176.54 178.88 2wnh h GLN 73 N 1.10 0.92 -0.21 4.80 4.20 -1.17 -1.33 115.11 123.41 2wnh h GLN 73 Ca 0.27 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2wnh h GLN 73 Cb 0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2wnh h GLN 73 CO -0.04 0.72 0.12 1.25 -0.67 0.00 0.00 178.83 180.21 2wnh h HIS 74 N 0.88 0.28 0.00 2.96 2.76 -0.65 -0.73 115.15 120.65 2wnh h HIS 74 Ca 0.22 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2wnh h HIS 74 Cb 0.09 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2wnh h HIS 74 CO -0.00 0.23 -0.23 1.88 -1.30 0.00 0.00 177.93 178.52 2wnh h TYR 75 N 0.25 0.00 -0.14 5.26 0.05 -1.05 -1.71 116.97 119.63 2wnh h TYR 75 Ca 0.08 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.67 2wnh h TYR 75 Cb 0.04 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.79 2wnh h TYR 75 CO -0.04 0.23 -0.64 0.00 -1.05 0.00 0.00 178.16 176.65 2wnh h ARG 76 N 0.00 0.68 -0.67 4.88 3.08 -1.02 -1.82 114.38 119.51 2wnh h ARG 76 Ca -0.00 -0.55 0.06 0.00 0.07 0.00 0.00 59.98 59.56 2wnh h ARG 76 Cb 0.78 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 2wnh h ARG 76 CO 0.03 1.16 0.37 0.37 -1.07 0.00 0.00 179.97 180.83 2wnh h GLN 77 N 0.37 0.66 0.00 0.04 5.75 -0.79 -1.42 115.11 119.72 2wnh h GLN 77 Ca -0.04 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2wnh h GLN 77 Cb 1.27 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.67 2wnh h GLN 77 CO 0.13 0.44 0.00 1.28 -2.65 0.00 0.00 178.83 178.03 2wnh n LEU 78 N -4.79 0.00 0.00 -2.39 4.77 -0.67 -4.57 117.00 109.35 2wnh n LEU 78 Ca 0.08 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2wnh n LEU 78 Cb 0.17 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2wnh n LEU 78 CO 0.29 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2wnh n GLY 79 N 0.86 0.63 0.19 -0.72 0.00 -0.53 -4.66 105.19 100.96 2wnh n GLY 79 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.66 -9.72 0.99 5.85 -1.58 -3.45 115.31 108.06 2wnh h LEU 80 Ca 0.00 -0.47 -0.59 0.00 0.84 0.00 0.00 57.88 57.67 2wnh h LEU 80 Cb 0.00 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 2wnh h LEU 80 CO 0.00 0.99 -0.58 -0.76 -0.34 0.00 0.00 178.44 177.75 2wnh s LEU 81 N -9.02 3.75 0.60 2.25 1.43 -0.98 -4.98 118.68 111.74 2wnh s LEU 81 Ca -0.13 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 2wnh s LEU 81 Cb 0.08 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2wnh s LEU 81 CO 0.81 0.09 1.06 0.00 0.23 0.00 0.00 176.35 178.54 2wnh s GLN 82 N -2.95 3.28 0.61 1.70 0.00 -1.26 -4.51 119.66 116.53 2wnh s GLN 82 Ca 0.30 1.18 -0.19 0.00 -0.00 0.00 0.00 55.36 56.65 2wnh s GLN 82 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 33.01 30.85 2wnh s GLN 82 CO 0.23 -0.84 1.28 0.00 0.00 0.00 0.00 175.29 175.96 2wnh s ALA 83 N -2.51 2.51 0.00 2.60 0.00 -1.26 -4.80 121.76 118.30 2wnh s ALA 83 Ca 0.63 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2wnh s ALA 83 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2wnh s ALA 83 CO 0.39 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2wnh n GLY 84 N 0.76 -0.47 3.83 0.00 0.00 -1.26 -4.87 105.19 103.18 2wnh n GLY 84 Ca 0.14 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.81 1.39 0.48 0.00 0.04 -1.26 -4.97 135.00 127.87 2wnh s PRO 86 Ca 0.54 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2wnh s PRO 86 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wnh s PRO 86 CO 0.17 -2.00 0.02 0.25 0.04 0.00 0.00 177.00 175.49 2wnh n THR 87 N -3.59 0.00 0.19 1.26 -2.24 -1.26 -5.00 114.28 103.63 2wnh n THR 87 Ca 0.08 -2.24 0.08 0.00 -2.27 0.00 0.00 64.05 59.71 2wnh n THR 87 Cb 0.60 0.42 0.61 0.00 -2.10 0.00 0.00 70.33 69.86 2wnh n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wnh h ALA 88 N 1.21 1.99 0.00 6.98 0.00 -1.99 -1.57 119.26 125.88 2wnh h ALA 88 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wnh h ALA 88 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wnh h ALA 88 CO 0.65 -0.01 0.00 1.49 0.00 0.00 0.00 179.25 181.38 2wnh h GLU 89 N 0.10 0.00 0.05 0.00 4.81 -1.96 -3.30 114.58 114.28 2wnh h GLU 89 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2wnh h GLU 89 Cb 0.08 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2wnh h GLU 89 CO -0.01 0.00 -0.28 0.77 -0.73 0.00 0.00 179.01 178.76 2wnh h SER 90 N 0.00 0.17 -4.61 1.04 0.02 -1.60 -0.61 113.55 107.96 2wnh h SER 90 Ca 0.00 -0.98 -0.11 0.00 -0.84 0.00 0.00 61.79 59.86 2wnh h SER 90 Cb 0.34 -0.05 -0.21 0.00 0.14 0.00 0.00 62.40 62.61 2wnh h SER 90 CO 0.00 1.13 -0.20 -0.51 -1.14 0.00 0.00 176.83 176.11 2wnh s ILE 91 N -2.32 0.03 -0.09 3.27 2.07 -1.24 -1.74 121.20 121.19 2wnh s ILE 91 Ca -0.17 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 2wnh s ILE 91 Cb -0.02 -0.65 0.02 0.00 0.13 0.00 0.00 42.46 41.94 2wnh s ILE 91 CO 0.74 -0.14 -0.09 -0.47 -1.91 0.00 0.00 174.94 173.08 2wnh s TYR 92 N -0.77 1.36 -0.21 3.50 5.04 -0.66 -4.81 117.35 120.80 2wnh s TYR 92 Ca -0.09 -0.58 -0.03 0.00 -2.44 0.00 0.00 57.07 53.93 2wnh s TYR 92 Cb -0.04 -1.09 -0.01 0.00 0.35 0.00 0.00 41.96 41.17 2wnh s TYR 92 CO 0.04 -0.38 -0.06 0.08 -1.34 0.00 0.00 175.55 173.89 2wnh s VAL 93 N 1.25 3.31 -0.22 3.14 1.01 -1.26 -1.31 120.40 126.31 2wnh s VAL 93 Ca -0.04 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2wnh s VAL 93 Cb -0.14 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.79 2wnh s VAL 93 CO -0.03 0.44 -0.13 -0.60 0.00 0.00 0.00 175.10 174.78 2wnh s ARG 94 N 1.34 2.40 -0.03 2.72 3.52 0.29 -0.90 118.95 128.29 2wnh s ARG 94 Ca 0.04 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 2wnh s ARG 94 Cb -0.14 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 2wnh s ARG 94 CO -0.03 -0.42 0.01 0.00 -0.81 0.00 0.00 175.30 174.04 2wnh s ALA 95 N 1.24 3.30 0.37 6.12 0.00 -0.20 -1.49 121.76 131.10 2wnh s ALA 95 Ca -0.03 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 2wnh s ALA 95 Cb -0.17 -1.40 -0.12 0.00 0.00 0.00 0.00 23.12 21.43 2wnh s ALA 95 CO -0.08 0.63 1.09 0.45 0.00 0.00 0.00 175.76 177.85 2wnh n SER 96 N 1.64 1.71 0.00 0.00 2.88 0.44 -4.40 113.62 115.90 2wnh n SER 96 Ca -0.16 1.11 0.09 0.00 -1.33 0.00 0.00 58.87 58.58 2wnh n SER 96 Cb 0.53 -1.38 0.46 0.00 -0.75 0.00 0.00 64.21 63.07 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 0.36 0.33 -1.99 -1.46 -0.04 -1.26 -3.60 135.00 127.34 2wnh n PRO 97 Ca 0.08 0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 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 -2.41 3.69 0.22 1.53 1.02 -1.26 -4.81 118.68 116.66 2wnh s LEU 98 Ca 0.19 2.43 -0.08 0.00 0.02 0.00 0.00 54.13 56.69 2wnh s LEU 98 Cb 0.12 -4.56 0.34 0.00 0.02 0.00 0.00 46.19 42.11 2wnh s LEU 98 CO 0.24 -1.58 1.70 -0.61 0.02 0.00 0.00 176.35 176.12 2wnh h GLN 99 N 0.97 0.27 -0.62 1.70 -0.00 -1.91 -1.34 115.11 114.17 2wnh h GLN 99 Ca -0.50 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.11 2wnh h GLN 99 Cb 1.30 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 28.69 2wnh h GLN 99 CO 0.55 0.18 0.32 0.07 0.00 0.00 0.00 178.83 179.95 2wnh h ARG 100 N 0.28 0.87 0.24 1.69 0.11 -1.91 0.58 114.38 116.23 2wnh h ARG 100 Ca 0.34 -0.10 -0.33 0.00 0.10 0.00 0.00 59.98 60.00 2wnh h ARG 100 Cb 0.53 -0.17 0.03 0.00 1.11 0.00 0.00 29.97 31.47 2wnh h ARG 100 CO -0.43 0.66 -1.48 1.79 0.10 0.00 0.00 179.97 180.61 2wnh h THR 101 N 0.87 1.24 -0.42 0.08 1.35 -1.75 -2.43 112.91 111.85 2wnh h THR 101 Ca 0.22 -2.65 0.03 0.00 -0.55 0.00 0.00 66.41 63.46 2wnh h THR 101 Cb 0.06 3.01 -0.04 0.00 -1.73 0.00 0.00 68.15 69.45 2wnh h THR 101 CO -0.03 0.81 0.21 0.03 -0.25 0.00 0.00 175.52 176.28 2wnh h ARG 102 N 0.09 0.41 -0.21 4.72 3.08 -0.97 -1.27 114.38 120.22 2wnh h ARG 102 Ca -0.27 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.63 2wnh h ARG 102 Cb 2.12 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 32.07 2wnh h ARG 102 CO 0.25 0.27 -0.43 0.00 -1.07 0.00 0.00 179.97 178.99 2wnh h ALA 103 N 1.22 0.86 -0.47 0.04 0.00 -0.96 -0.96 119.26 118.98 2wnh h ALA 103 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2wnh h ALA 103 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2wnh h ALA 103 CO -0.13 0.65 0.18 1.15 0.00 0.00 0.00 179.25 181.10 2wnh h THR 104 N 0.42 1.21 -0.39 0.00 2.02 -1.28 -0.27 112.91 114.62 2wnh h THR 104 Ca 0.03 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.57 2wnh h THR 104 Cb 0.93 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2wnh h THR 104 CO 0.08 0.24 0.22 0.00 0.37 0.00 0.00 175.52 176.44 2wnh h ALA 105 N 1.03 0.48 -0.50 6.16 0.00 -0.92 -0.77 119.26 124.74 2wnh h ALA 105 Ca 0.16 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2wnh h ALA 105 Cb 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2wnh h ALA 105 CO -0.01 -0.12 0.21 1.96 0.00 0.00 0.00 179.25 181.29 2wnh h GLN 106 N 0.45 0.39 -0.94 0.00 4.20 -0.92 -2.82 115.11 115.47 2wnh h GLN 106 Ca 0.15 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2wnh h GLN 106 Cb 0.01 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 2wnh h GLN 106 CO -0.08 0.26 0.61 0.00 -0.67 0.00 0.00 178.83 178.95 2wnh h ALA 107 N 1.32 1.25 -0.50 3.87 0.00 -0.44 0.73 119.26 125.48 2wnh h ALA 107 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2wnh h ALA 107 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wnh h ALA 107 CO -0.22 0.47 0.12 -0.07 0.00 0.00 0.00 179.25 179.55 2wnh h LEU 108 N 1.17 0.77 0.00 0.00 3.38 -0.92 -1.71 115.31 118.00 2wnh h LEU 108 Ca 0.38 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 2wnh h LEU 108 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2wnh h LEU 108 CO -0.13 0.80 -0.90 -0.37 0.09 0.00 0.00 178.44 177.93 2wnh h VAL 109 N 0.69 1.50 -0.66 1.22 -1.51 -1.30 -0.75 116.25 115.45 2wnh h VAL 109 Ca 0.16 -3.14 0.09 0.00 -1.23 0.00 0.00 66.70 62.58 2wnh h VAL 109 Cb 0.34 2.74 -0.07 0.00 -2.13 0.00 0.00 31.29 32.17 2wnh h VAL 109 CO 0.00 0.86 0.30 -0.78 -1.23 0.00 0.00 177.57 176.72 2wnh h ASP 110 N 0.00 0.38 -0.02 4.19 1.82 -0.75 -0.40 116.42 121.64 2wnh h ASP 110 Ca -0.01 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.62 2wnh h ASP 110 Cb 1.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.70 2wnh h ASP 110 CO 0.11 0.22 -0.24 1.23 -1.61 0.00 0.00 179.24 178.96 2wnh h GLY 111 N 0.53 0.22 1.85 -0.78 0.00 -1.23 -3.31 103.07 100.35 2wnh h GLY 111 Ca 0.32 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 2wnh h GLY 111 CO -0.27 0.30 -0.33 0.00 0.00 0.00 0.00 176.54 176.25 2wnh h ALA 112 N 0.32 1.28 -2.42 3.60 0.00 -1.01 -3.29 119.26 117.74 2wnh h ALA 112 Ca -0.02 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.95 2wnh h ALA 112 Cb 0.94 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.25 2wnh h ALA 112 CO 0.05 0.50 -0.82 1.19 0.00 0.00 0.00 179.25 180.16 2wnh n PHE 113 N -4.11 1.27 -1.67 0.00 3.72 -0.17 -4.55 117.46 111.95 2wnh n PHE 113 Ca -0.01 -3.81 -0.50 0.00 -0.05 0.00 0.00 57.45 53.08 2wnh n PHE 113 Cb 0.41 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.84 1.87 -1.05 -1.08 -0.02 -1.24 -1.86 135.00 133.46 2wnh n PRO 114 Ca 0.25 0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 2wnh n PRO 114 Cb 0.44 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.93 0.37 0.16 -1.23 0.00 -1.26 -4.90 105.19 102.27 2wnh n GLY 115 Ca 0.22 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 1.17 -0.32 3.70 0.00 0.00 -1.26 -4.92 105.19 103.57 2wnh n GLY 117 Ca 0.18 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.69 3.98 0.53 1.61 1.01 -1.26 -5.03 120.40 117.56 2wnh s VAL 118 Ca 0.28 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 2wnh s VAL 118 Cb -0.15 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2wnh s VAL 118 CO 0.89 0.05 0.83 0.00 0.00 0.00 0.00 175.10 176.87 2wnh s ALA 119 N 1.72 3.39 0.40 5.51 0.00 -1.26 -4.88 121.76 126.64 2wnh s ALA 119 Ca 0.59 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.95 2wnh s ALA 119 Cb -0.29 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 2wnh s ALA 119 CO 0.26 -0.59 0.02 0.96 0.00 0.00 0.00 175.76 176.41 2wnh s ILE 120 N -2.85 1.85 0.04 0.00 -4.36 -1.26 -4.74 121.20 109.88 2wnh s ILE 120 Ca 0.51 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.95 2wnh s ILE 120 Cb -0.10 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.63 2wnh s ILE 120 CO 0.44 0.00 -0.16 -1.00 0.24 0.00 0.00 174.94 174.46 2wnh s HIS 121 N -2.82 1.40 0.10 1.37 3.76 -0.08 -5.03 115.29 114.00 2wnh s HIS 121 Ca 0.35 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.70 2wnh s HIS 121 Cb 0.10 -0.83 0.05 0.00 1.11 0.00 0.00 32.58 33.00 2wnh s HIS 121 CO 0.17 0.05 0.50 1.52 -0.85 0.00 0.00 174.74 176.14 2wnh s TYR 122 N -0.82 -0.39 0.44 1.40 1.13 -1.26 -1.03 117.35 116.82 2wnh s TYR 122 Ca 0.03 0.27 -0.24 0.00 -1.41 0.00 0.00 57.07 55.72 2wnh s TYR 122 Cb -0.08 0.37 -0.08 0.00 -1.10 0.00 0.00 41.96 41.07 2wnh s TYR 122 CO 0.01 -0.71 1.26 0.00 -2.51 0.00 0.00 175.55 173.60 2wnh s ALA 123 N -3.16 3.10 0.21 9.51 0.00 -1.26 -4.94 121.76 125.23 2wnh s ALA 123 Ca -0.01 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 2wnh s ALA 123 Cb 0.00 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 19.89 2wnh s ALA 123 CO -0.07 -0.83 1.84 -0.91 0.00 0.00 0.00 175.76 175.79 2wnh h ASN 124 N 2.32 0.70 -0.75 0.00 2.35 -1.94 -3.44 115.58 114.82 2wnh h ASN 124 Ca -0.50 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2wnh h ASN 124 Cb 1.25 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2wnh h ASN 124 CO 0.61 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 177.47 2wnh n GLY 125 N -1.30 -0.77 1.48 2.83 0.00 -1.26 -4.98 105.19 101.18 2wnh n GLY 125 Ca 0.09 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.53 2wnh n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wnh n ASP 126 N -1.01 4.75 -3.73 1.61 5.68 -1.26 -4.87 116.55 117.71 2wnh n ASP 126 Ca 0.00 -2.65 -0.20 0.00 -0.50 0.00 0.00 54.79 51.44 2wnh n ASP 126 Cb 0.00 -0.58 -0.17 0.00 -1.14 0.00 0.00 41.12 39.23 2wnh n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wnh s ALA 127 N -2.21 0.35 -0.17 2.12 0.00 -1.26 -4.87 121.76 115.71 2wnh s ALA 127 Ca 0.48 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 2wnh s ALA 127 Cb 0.34 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2wnh s ALA 127 CO 0.19 -0.37 -0.04 0.34 0.00 0.00 0.00 175.76 175.88 2wnh s ASP 128 N 1.80 4.64 0.08 0.00 -1.08 -1.26 -4.96 116.67 115.89 2wnh s ASP 128 Ca 0.01 -0.21 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 2wnh s ASP 128 Cb -0.12 -1.77 0.58 0.00 -1.46 0.00 0.00 42.92 40.15 2wnh s ASP 128 CO -0.03 0.12 1.41 -0.81 0.52 0.00 0.00 175.17 176.37 2wnh n PRO 129 N 3.88 0.05 0.12 4.34 -0.04 -1.26 -0.80 135.00 141.29 2wnh n PRO 129 Ca -0.17 0.39 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2wnh n PRO 129 Cb 0.52 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.00 0.00 1.53 3.38 -1.95 -3.42 115.31 114.85 2wnh h LEU 130 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wnh h LEU 130 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wnh h LEU 130 CO 0.00 0.56 -0.97 0.49 0.09 0.00 0.00 178.44 178.61 2wnh n PHE 131 N -3.20 0.00 -1.88 1.13 3.72 -0.40 -4.51 117.46 112.32 2wnh n PHE 131 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 2wnh n PHE 131 Cb 0.77 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 39.22 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 -3.18 4.41 0.23 -1.08 3.00 0.02 -4.72 117.38 116.05 2wnh n GLN 132 Ca -0.04 -3.23 0.15 0.00 -0.01 0.00 0.00 57.00 53.87 2wnh n GLN 132 Cb 0.46 -2.67 0.63 0.00 0.00 0.00 0.00 30.24 28.66 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 2.71 0.00 0.00 5.09 1.35 -1.82 -1.38 112.91 118.86 2wnh h THR 133 Ca 0.73 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 2wnh h THR 133 Cb 0.31 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2wnh h THR 133 CO 1.54 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.91 2wnh n ASP 134 N -2.77 0.00 -0.86 5.36 5.75 -1.26 -3.03 116.55 119.74 2wnh n ASP 134 Ca 0.01 -0.55 0.09 0.00 -0.01 0.00 0.00 54.79 54.32 2wnh n ASP 134 Cb 0.27 -0.08 0.16 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.08 2.16 -4.57 0.11 4.76 -0.52 -4.84 118.16 114.18 2wnh n LYS 135 Ca 0.16 -1.98 -0.22 0.00 -2.87 0.00 0.00 58.31 53.39 2wnh n LYS 135 Cb 0.11 -1.38 -0.16 0.00 -1.84 0.00 0.00 35.03 31.76 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 -1.22 1.23 0.26 2.13 0.40 -1.17 -5.06 117.98 114.55 2wnh s PHE 136 Ca 0.29 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2wnh s PHE 136 Cb 0.17 -0.84 0.51 0.00 0.51 0.00 0.00 43.02 43.37 2wnh s PHE 136 CO 0.23 -0.11 1.74 0.00 0.70 0.00 0.00 175.22 177.79 2wnh h ALA 137 N 6.24 1.18 0.00 5.36 0.00 -1.93 -1.81 119.26 128.30 2wnh h ALA 137 Ca -0.33 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wnh h ALA 137 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wnh h ALA 137 CO 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 2wnh h ALA 138 N 1.57 1.00 0.00 0.00 0.00 -1.92 -3.23 119.26 116.69 2wnh h ALA 138 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wnh h ALA 138 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wnh h ALA 138 CO -0.40 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.11 2wnh n THR 139 N -3.10 0.75 -3.00 0.00 -2.24 -0.72 -4.32 114.28 101.66 2wnh n THR 139 Ca -0.00 -0.85 -0.38 0.00 -2.27 0.00 0.00 64.05 60.55 2wnh n THR 139 Cb 0.27 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.75 4.44 0.61 -0.78 -0.21 -0.98 -3.91 119.66 118.08 2wnh s GLN 140 Ca 0.00 1.07 -0.14 0.00 0.02 0.00 0.00 55.36 56.31 2wnh s GLN 140 Cb 0.00 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 2wnh s GLN 140 CO 0.00 0.45 1.04 0.95 -2.12 0.00 0.00 175.29 175.61 2wnh s THR 141 N -1.39 4.15 -0.22 -0.19 -4.23 -1.26 -4.97 115.64 107.53 2wnh s THR 141 Ca 0.41 0.87 -0.15 0.00 -1.18 0.00 0.00 61.69 61.64 2wnh s THR 141 Cb -0.20 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2wnh s THR 141 CO 0.24 -0.75 0.36 -0.62 -0.54 0.00 0.00 174.62 173.31 2wnh s ASP 142 N -3.36 6.35 0.34 3.99 -1.08 -1.26 -5.00 116.67 116.65 2wnh s ASP 142 Ca 0.60 0.41 0.10 0.00 -0.52 0.00 0.00 52.55 53.14 2wnh s ASP 142 Cb -0.13 -2.21 0.88 0.00 -1.46 0.00 0.00 42.92 40.00 2wnh s ASP 142 CO 0.44 -0.08 1.77 -0.65 0.52 0.00 0.00 175.17 177.17 2wnh h PRO 143 N 7.55 0.59 -0.62 4.34 0.11 -1.94 -0.83 132.00 141.21 2wnh h PRO 143 Ca -0.35 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 2wnh h PRO 143 Cb 1.16 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2wnh h PRO 143 CO 0.69 0.39 0.02 0.00 -0.21 0.00 0.00 178.00 178.90 2wnh h ALA 144 N 1.66 0.86 -0.23 -0.75 0.00 -1.94 -0.01 119.26 118.86 2wnh h ALA 144 Ca 0.59 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2wnh h ALA 144 Cb 1.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wnh h ALA 144 CO -0.37 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.10 2wnh h ARG 145 N 0.99 0.70 -0.73 0.00 2.47 -1.74 -2.89 114.38 113.17 2wnh h ARG 145 Ca 0.18 -0.45 -0.05 0.00 -1.26 0.00 0.00 59.98 58.40 2wnh h ARG 145 Cb 0.53 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 2wnh h ARG 145 CO 0.03 1.07 0.28 0.37 0.56 0.00 0.00 179.97 182.28 2wnh h GLN 146 N 0.41 1.10 -0.20 0.04 4.15 -1.00 -0.37 115.11 119.24 2wnh h GLN 146 Ca 0.01 -0.20 0.04 0.00 0.77 0.00 0.00 58.65 59.27 2wnh h GLN 146 Cb 1.05 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.52 2wnh h GLN 146 CO 0.10 0.90 -0.03 1.25 -1.93 0.00 0.00 178.83 179.12 2wnh h LEU 147 N 1.07 -0.15 -0.13 -2.39 5.85 -1.01 -1.03 115.31 117.53 2wnh h LEU 147 Ca 0.24 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2wnh h LEU 147 Cb 0.22 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2wnh h LEU 147 CO -0.02 -0.05 0.02 0.00 -0.34 0.00 0.00 178.44 178.06 2wnh h ALA 148 N 1.19 0.13 -0.26 1.25 0.00 -1.26 -1.71 119.26 118.59 2wnh h ALA 148 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wnh h ALA 148 Cb 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2wnh h ALA 148 CO -0.19 -0.43 0.12 0.00 0.00 0.00 0.00 179.25 178.75 2wnh h ALA 149 N 1.09 0.31 -0.36 0.00 0.00 -0.87 0.36 119.26 119.79 2wnh h ALA 149 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wnh h ALA 149 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wnh h ALA 149 CO -0.08 -0.28 0.10 0.28 0.00 0.00 0.00 179.25 179.27 2wnh h VAL 150 N 0.26 1.22 -0.84 0.00 2.07 -1.18 -2.37 116.25 115.40 2wnh h VAL 150 Ca 0.11 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2wnh h VAL 150 Cb 0.05 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2wnh h VAL 150 CO -0.09 0.25 0.42 0.11 0.02 0.00 0.00 177.57 178.28 2wnh h LYS 151 N 0.44 1.19 -0.11 1.57 1.57 -1.10 0.16 116.57 120.29 2wnh h LYS 151 Ca 0.12 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wnh h LYS 151 Cb 0.28 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2wnh h LYS 151 CO -0.00 0.91 0.07 1.49 -0.57 0.00 0.00 179.45 181.35 2wnh h GLU 152 N 1.18 0.15 -0.32 3.15 4.57 -0.82 -1.42 114.58 121.07 2wnh h GLU 152 Ca 0.29 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.30 2wnh h GLU 152 Cb 0.10 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2wnh h GLU 152 CO -0.04 0.13 -0.41 -0.22 -1.18 0.00 0.00 179.01 177.29 2wnh h LYS 153 N 0.13 0.84 -0.68 1.92 3.64 -1.25 -3.27 116.57 117.90 2wnh h LYS 153 Ca 0.04 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2wnh h LYS 153 Cb 0.01 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2wnh h LYS 153 CO -0.01 1.11 0.27 0.00 -2.27 0.00 0.00 179.45 178.56 2wnh h ALA 154 N 0.71 0.88 -0.92 5.00 0.00 -0.55 -3.48 119.26 120.91 2wnh h ALA 154 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wnh h ALA 154 Cb 1.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wnh h ALA 154 CO 0.10 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2wnh n GLY 155 N -0.85 3.21 3.56 0.00 0.00 -0.55 -4.35 105.19 106.21 2wnh n GLY 155 Ca 0.05 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 6.16 0.25 1.61 -1.08 -1.26 -4.89 116.67 113.47 2wnh s ASP 156 Ca 0.00 -0.18 0.06 0.00 -0.52 0.00 0.00 52.55 51.91 2wnh s ASP 156 Cb 0.00 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.22 2wnh s ASP 156 CO 0.00 -1.78 1.60 -0.07 0.52 0.00 0.00 175.17 175.44 2wnh h LEU 157 N 13.01 0.23 -0.87 -1.34 3.38 -1.87 -2.40 115.31 125.45 2wnh h LEU 157 Ca -0.27 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2wnh h LEU 157 Cb 1.06 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2wnh h LEU 157 CO 1.24 0.75 0.57 0.00 0.09 0.00 0.00 178.44 181.09 2wnh h ALA 158 N 1.26 1.12 -0.48 1.53 0.00 -1.90 -0.23 119.26 120.56 2wnh h ALA 158 Ca -0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2wnh h ALA 158 Cb 1.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2wnh h ALA 158 CO 0.09 0.47 -0.22 0.37 0.00 0.00 0.00 179.25 179.95 2wnh h GLN 159 N 1.14 1.00 -0.57 0.00 4.15 -1.91 -1.41 115.11 117.51 2wnh h GLN 159 Ca 0.33 -0.43 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2wnh h GLN 159 Cb -0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2wnh h GLN 159 CO -0.09 1.11 0.29 0.00 -1.93 0.00 0.00 178.83 178.21 2wnh h ARG 160 N 0.86 0.81 -0.64 1.69 3.08 -1.17 -1.23 114.38 117.77 2wnh h ARG 160 Ca 0.11 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2wnh h ARG 160 Cb 0.80 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2wnh h ARG 160 CO 0.07 0.64 0.28 -0.09 -1.07 0.00 0.00 179.97 179.80 2wnh h ARG 161 N 0.76 0.95 -0.64 0.04 2.43 -0.93 -2.14 114.38 114.86 2wnh h ARG 161 Ca 0.20 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2wnh h ARG 161 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2wnh h ARG 161 CO -0.03 0.79 0.09 0.37 -1.51 0.00 0.00 179.97 179.68 2wnh h GLN 162 N 0.90 1.07 0.00 0.20 5.75 -1.15 -2.83 115.11 119.04 2wnh h GLN 162 Ca 0.22 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2wnh h GLN 162 Cb 0.18 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2wnh h GLN 162 CO -0.02 0.99 -0.19 0.00 -2.65 0.00 0.00 178.83 176.96 2wnh h ALA 163 N 1.03 1.47 -0.48 3.38 0.00 -0.91 -2.19 119.26 121.56 2wnh h ALA 163 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wnh h ALA 163 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wnh h ALA 163 CO 0.01 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2wnh n LEU 164 N -4.00 2.88 -0.23 0.00 4.77 -0.83 -4.63 117.00 114.96 2wnh n LEU 164 Ca -0.02 -1.39 0.03 0.00 -0.03 0.00 0.00 56.01 54.61 2wnh n LEU 164 Cb 0.27 -0.32 0.15 0.00 -2.33 0.00 0.00 43.42 41.19 2wnh n LEU 164 CO 0.34 0.69 0.97 0.00 -1.33 0.00 0.00 177.39 178.07 2wnh h ALA 165 N 4.10 0.91 -0.85 -1.18 0.00 -1.16 0.52 119.26 121.59 2wnh h ALA 165 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wnh h ALA 165 Cb 0.75 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2wnh h ALA 165 CO 0.00 -0.26 0.55 -1.35 0.00 0.00 0.00 179.25 178.20 2wnh h PRO 166 N 0.36 1.07 -0.35 0.00 0.11 -1.84 -0.57 132.00 130.79 2wnh h PRO 166 Ca 0.37 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 2wnh h PRO 166 Cb 0.57 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2wnh h PRO 166 CO -0.41 0.71 -0.12 1.15 -0.21 0.00 0.00 178.00 179.11 2wnh h THR 167 N 1.11 1.28 -0.92 -1.15 2.02 -1.59 -2.14 112.91 111.52 2wnh h THR 167 Ca 0.32 -1.22 0.08 0.00 0.77 0.00 0.00 66.41 66.37 2wnh h THR 167 Cb -0.07 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 2wnh h THR 167 CO -0.09 0.40 0.57 0.40 0.37 0.00 0.00 175.52 177.17 2wnh h ILE 168 N 0.48 1.00 -0.45 3.11 2.04 -0.68 -1.30 117.51 121.71 2wnh h ILE 168 Ca 0.08 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2wnh h ILE 168 Cb 0.65 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2wnh h ILE 168 CO 0.04 0.18 0.19 -0.61 0.00 0.00 0.00 178.15 177.95 2wnh h GLN 169 N 0.99 0.67 -0.78 2.37 5.75 -0.84 -0.45 115.11 122.82 2wnh h GLN 169 Ca 0.42 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.85 2wnh h GLN 169 Cb 0.28 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 2wnh h GLN 169 CO -0.21 0.60 0.49 -0.07 -2.65 0.00 0.00 178.83 177.00 2wnh h LEU 170 N 0.59 0.79 -0.40 -2.39 3.38 -0.85 -0.65 115.31 115.78 2wnh h LEU 170 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2wnh h LEU 170 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wnh h LEU 170 CO -0.01 0.54 0.11 0.25 0.09 0.00 0.00 178.44 179.42 2wnh h LEU 171 N 0.94 0.59 -0.39 1.67 5.85 -0.91 -2.75 115.31 120.31 2wnh h LEU 171 Ca 0.32 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2wnh h LEU 171 Cb 0.07 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2wnh h LEU 171 CO -0.13 0.66 0.16 0.50 -0.34 0.00 0.00 178.44 179.28 2wnh h LYS 172 N 0.50 0.32 -0.83 1.25 3.64 -0.67 -1.76 116.57 119.03 2wnh h LYS 172 Ca 0.13 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2wnh h LYS 172 Cb 0.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2wnh h LYS 172 CO -0.00 0.21 0.54 1.96 -2.27 0.00 0.00 179.45 179.89 2wnh h GLN 173 N 0.33 0.65 0.11 1.90 4.20 -1.05 -0.56 115.11 120.69 2wnh h GLN 173 Ca 0.18 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.58 2wnh h GLN 173 Cb 0.14 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.78 2wnh h GLN 173 CO -0.16 0.43 -1.20 0.00 -0.67 0.00 0.00 178.83 177.23 2wnh h ALA 174 N 1.61 0.13 0.00 3.87 0.00 -1.06 -3.41 119.26 120.39 2wnh h ALA 174 Ca 0.40 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wnh h ALA 174 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wnh h ALA 174 CO -0.16 0.88 -1.06 1.33 0.00 0.00 0.00 179.25 180.23 2wnh n VAL 175 N -3.63 0.00 -3.47 0.00 0.24 -0.73 -4.70 118.33 106.03 2wnh n VAL 175 Ca -0.09 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 2wnh n VAL 175 Cb 0.98 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.57 4.60 0.00 0.00 -0.21 -1.26 -4.89 119.66 117.32 2wnh s GLN 177 Ca 0.23 1.79 -0.35 0.00 0.02 0.00 0.00 55.36 57.05 2wnh s GLN 177 Cb -0.16 -3.23 -0.14 0.00 1.00 0.00 0.00 33.01 30.49 2wnh s GLN 177 CO 0.12 0.11 1.69 0.00 -2.12 0.00 0.00 175.29 175.08 2wnh n ALA 178 N 1.84 0.69 -3.66 6.09 0.00 -1.26 -2.41 120.51 121.81 2wnh n ALA 178 Ca 0.01 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.59 2wnh n ALA 178 Cb 0.45 -2.36 0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 4.82 -5.63 -4.11 0.00 8.00 -1.26 -5.01 116.55 113.35 2wnh n ASP 179 Ca 0.20 -0.61 -0.15 0.00 0.71 0.00 0.00 54.79 54.95 2wnh n ASP 179 Cb 0.26 -4.77 -0.11 0.00 -0.02 0.00 0.00 41.12 36.48 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 -6.31 0.66 0.23 -1.24 3.01 -1.01 -5.13 119.74 109.95 2wnh s LYS 180 Ca 0.55 -0.89 -0.32 0.00 -1.01 0.00 0.00 55.97 54.31 2wnh s LYS 180 Cb -0.25 -0.47 -0.12 0.00 -1.01 0.00 0.00 37.83 35.98 2wnh s LYS 180 CO 0.75 0.09 1.65 -2.30 0.51 0.00 0.00 175.35 176.05 2wnh n PRO 181 N 1.23 2.63 -3.72 -1.68 -0.02 -1.26 -4.75 135.00 127.42 2wnh n PRO 181 Ca -0.21 0.94 -0.28 0.00 -2.02 0.00 0.00 63.50 61.93 2wnh n PRO 181 Cb 0.55 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 2wnh n PRO 181 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wnh h PRO 183 N 5.62 0.05 -0.81 0.00 0.11 -1.76 -2.71 132.00 132.50 2wnh h PRO 183 Ca 0.17 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.48 2wnh h PRO 183 Cb 0.82 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.88 2wnh h PRO 183 CO 0.58 0.03 0.56 0.97 -0.21 0.00 0.00 178.00 179.93 2wnh h ILE 184 N 0.05 0.66 0.00 4.15 6.09 -1.75 -1.00 117.51 125.71 2wnh h ILE 184 Ca 0.34 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 2wnh h ILE 184 Cb 0.56 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.31 2wnh h ILE 184 CO -0.64 0.03 0.00 0.49 -3.07 0.00 0.00 178.15 174.96 2wnh n PHE 185 N -4.40 0.23 0.35 2.19 3.01 -1.02 -2.75 117.46 115.07 2wnh n PHE 185 Ca 0.16 0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.81 2wnh n PHE 185 Cb 0.75 -0.61 0.06 0.00 -0.01 0.00 0.00 39.48 39.67 2wnh n PHE 185 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wnh n ASP 186 N -1.69 0.74 -4.70 4.37 8.00 -0.38 -4.93 116.55 117.95 2wnh n ASP 186 Ca 0.06 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 2wnh n ASP 186 Cb 0.35 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 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 -3.27 4.82 0.68 -3.53 -4.23 -1.11 -5.03 115.64 103.98 2wnh s THR 187 Ca 0.02 2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 62.43 2wnh s THR 187 Cb 0.12 -4.31 0.01 0.00 1.34 0.00 0.00 72.50 69.66 2wnh s THR 187 CO 0.77 0.10 1.15 -2.84 -0.54 0.00 0.00 174.62 173.26 2wnh s PRO 188 N 1.38 2.55 -0.34 3.99 0.02 -1.26 -4.73 135.00 136.62 2wnh s PRO 188 Ca 0.51 1.54 -0.21 0.00 0.02 0.00 0.00 61.00 62.86 2wnh s PRO 188 Cb -0.20 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2wnh s PRO 188 CO 0.24 -1.47 0.69 -1.58 -0.33 0.00 0.00 177.00 174.55 2wnh s TRP 189 N -2.18 3.16 0.04 6.54 0.52 -1.26 -4.52 118.94 121.25 2wnh s TRP 189 Ca 0.70 0.52 0.00 0.00 0.02 0.00 0.00 56.10 57.34 2wnh s TRP 189 Cb -0.24 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2wnh s TRP 189 CO 0.42 -0.60 -0.04 -0.98 0.02 0.00 0.00 176.95 175.77 2wnh s ARG 190 N 2.81 0.49 -0.10 4.98 1.70 -1.25 -4.67 118.95 122.90 2wnh s ARG 190 Ca 0.27 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 2wnh s ARG 190 Cb -0.14 0.06 -0.02 0.00 -0.57 0.00 0.00 34.95 34.27 2wnh s ARG 190 CO 0.14 -0.05 1.17 0.08 -1.08 0.00 0.00 175.30 175.56 2wnh s VAL 191 N -2.47 4.37 0.16 4.99 1.01 -1.26 -0.43 120.40 126.77 2wnh s VAL 191 Ca -0.05 1.67 0.09 0.00 0.00 0.00 0.00 61.98 63.70 2wnh s VAL 191 Cb -0.03 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2wnh s VAL 191 CO -0.04 -0.05 -0.20 -1.61 0.00 0.00 0.00 175.10 173.20 2wnh s GLU 192 N 2.57 1.29 -0.04 2.72 2.02 0.34 -4.96 118.70 122.65 2wnh s GLU 192 Ca 0.54 -1.39 0.04 0.00 0.02 0.00 0.00 54.97 54.18 2wnh s GLU 192 Cb -0.22 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.57 2wnh s GLU 192 CO 0.18 0.30 -0.17 -0.65 0.02 0.00 0.00 175.26 174.95 2wnh s GLN 193 N -2.62 1.75 0.88 1.61 -0.21 -1.26 -1.28 119.66 118.53 2wnh s GLN 193 Ca 0.15 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 2wnh s GLN 193 Cb -0.07 -1.53 0.13 0.00 1.00 0.00 0.00 33.01 32.54 2wnh s GLN 193 CO 0.07 0.24 1.19 -1.54 -2.12 0.00 0.00 175.29 173.13 2wnh s SER 194 N 0.03 3.84 0.49 5.90 1.04 -0.38 -4.88 113.70 119.74 2wnh s SER 194 Ca -0.03 0.73 0.24 0.00 0.48 0.00 0.00 55.95 57.37 2wnh s SER 194 Cb -0.11 -1.16 1.26 0.00 0.10 0.00 0.00 66.02 66.11 2wnh s SER 194 CO 0.02 -2.32 2.01 0.07 0.98 0.00 0.00 173.24 174.00 2wnh h LYS 195 N -1.34 0.00 -0.00 4.02 2.10 -2.01 0.10 116.57 119.44 2wnh h LYS 195 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2wnh h LYS 195 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2wnh h LYS 195 CO 0.59 0.17 -0.03 -1.13 -2.00 0.00 0.00 179.45 177.04 2wnh n SER 196 N -3.77 0.05 0.00 7.07 3.41 -1.26 -4.94 113.62 114.18 2wnh n SER 196 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2wnh n SER 196 Cb 0.27 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.40 0.82 3.73 5.00 0.00 0.36 -4.98 105.19 111.51 2wnh n GLY 197 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.64 4.31 -0.29 1.61 1.02 -1.26 -4.65 119.74 119.85 2wnh s LYS 198 Ca 0.00 2.15 -0.08 0.00 0.02 0.00 0.00 55.97 58.05 2wnh s LYS 198 Cb 0.00 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2wnh s LYS 198 CO 0.00 -0.42 0.12 0.99 -0.92 0.00 0.00 175.35 175.12 2wnh s THR 199 N 0.71 4.39 0.25 2.17 2.01 -1.26 -1.25 115.64 122.65 2wnh s THR 199 Ca 0.63 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2wnh s THR 199 Cb -0.39 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 2wnh s THR 199 CO 0.34 0.14 -0.03 0.42 -0.69 0.00 0.00 174.62 174.80 2wnh s THR 200 N 1.59 1.31 -0.25 -0.82 -4.23 -0.41 -4.95 115.64 107.89 2wnh s THR 200 Ca 0.05 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 2wnh s THR 200 Cb -0.17 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2wnh s THR 200 CO 0.05 -0.34 0.14 -0.63 -0.54 0.00 0.00 174.62 173.30 2wnh s ILE 201 N -3.23 5.04 0.54 2.99 -1.09 -1.26 -0.50 121.20 123.68 2wnh s ILE 201 Ca 0.28 0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.56 2wnh s ILE 201 Cb 0.05 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.51 2wnh s ILE 201 CO 0.10 0.32 1.28 -0.94 -1.23 0.00 0.00 174.94 174.46 2wnh s SER 202 N 1.36 5.43 0.00 3.58 1.04 0.42 -1.49 113.70 124.05 2wnh s SER 202 Ca 0.06 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.07 2wnh s SER 202 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2wnh s SER 202 CO 0.06 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.45 2wnh n GLY 203 N 0.63 2.22 0.22 7.32 0.00 -1.26 -3.94 105.19 110.38 2wnh n GLY 203 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.28 -0.57 0.99 5.85 -1.92 -0.83 115.31 119.10 2wnh h LEU 204 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2wnh h LEU 204 Cb 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2wnh h LEU 204 CO 0.00 0.18 0.31 0.77 -0.34 0.00 0.00 178.44 179.36 2wnh h SER 205 N 0.44 0.72 -0.12 1.25 4.64 -1.49 0.14 113.55 119.12 2wnh h SER 205 Ca 0.26 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 2wnh h SER 205 Cb 0.26 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wnh h SER 205 CO -0.24 0.60 -0.52 0.58 -0.87 0.00 0.00 176.83 176.39 2wnh h VAL 206 N 0.77 1.30 -0.88 0.95 2.07 -1.75 -1.77 116.25 116.94 2wnh h VAL 206 Ca 0.20 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.07 2wnh h VAL 206 Cb 0.05 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 2wnh h VAL 206 CO -0.03 0.55 0.54 0.24 0.02 0.00 0.00 177.57 178.89 2wnh h MET 207 N 0.54 0.93 -0.78 1.57 2.07 -0.67 -0.51 114.93 118.09 2wnh h MET 207 Ca 0.02 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.56 2wnh h MET 207 Cb 1.08 -0.21 -0.04 0.00 -1.87 0.00 0.00 31.60 30.57 2wnh h MET 207 CO 0.11 0.61 0.37 0.00 1.07 0.00 0.00 176.91 179.07 2wnh h ALA 208 N 1.43 1.00 -0.86 6.32 0.00 -0.41 -0.70 119.26 126.03 2wnh h ALA 208 Ca 0.39 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2wnh h ALA 208 Cb 0.23 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2wnh h ALA 208 CO -0.20 0.57 0.53 -0.91 0.00 0.00 0.00 179.25 179.24 2wnh h ASN 209 N 1.10 0.83 -0.14 0.00 -0.26 -0.50 -1.02 115.58 115.58 2wnh h ASN 209 Ca 0.27 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 2wnh h ASN 209 Cb 0.12 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2wnh h ASN 209 CO -0.03 0.52 0.01 0.24 -1.06 0.00 0.00 177.43 177.11 2wnh h MET 210 N 0.95 0.24 -0.50 0.81 2.86 -0.36 -2.10 114.93 116.82 2wnh h MET 210 Ca 0.38 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2wnh h MET 210 Cb 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2wnh h MET 210 CO -0.19 0.44 0.29 0.28 1.06 0.00 0.00 176.91 178.80 2wnh h VAL 211 N -0.00 1.16 -0.48 -2.22 2.07 -0.98 -1.09 116.25 114.71 2wnh h VAL 211 Ca 0.04 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2wnh h VAL 211 Cb 0.33 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2wnh h VAL 211 CO 0.00 0.17 0.24 -0.08 0.02 0.00 0.00 177.57 177.92 2wnh h GLU 212 N 0.67 0.46 -0.69 1.57 4.57 -1.21 0.34 114.58 120.29 2wnh h GLU 212 Ca 0.18 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2wnh h GLU 212 Cb 0.02 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 2wnh h GLU 212 CO -0.03 0.30 0.44 1.15 -1.18 0.00 0.00 179.01 179.69 2wnh h THR 213 N 0.47 1.14 -0.37 0.32 2.02 -0.99 0.20 112.91 115.70 2wnh h THR 213 Ca 0.21 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2wnh h THR 213 Cb 0.13 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2wnh h THR 213 CO -0.15 0.16 0.04 -0.07 0.37 0.00 0.00 175.52 175.87 2wnh h LEU 214 N 0.89 0.60 -0.52 2.58 3.38 -0.92 0.88 115.31 122.20 2wnh h LEU 214 Ca 0.26 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wnh h LEU 214 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2wnh h LEU 214 CO -0.08 0.73 0.34 -0.09 0.09 0.00 0.00 178.44 179.43 2wnh h ARG 215 N 0.46 0.67 -0.38 1.13 1.12 -0.55 -0.36 114.38 116.47 2wnh h ARG 215 Ca 0.11 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 2wnh h ARG 215 Cb 0.40 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2wnh h ARG 215 CO 0.01 0.44 0.10 -0.07 -3.11 0.00 0.00 179.97 177.34 2wnh h LEU 216 N 0.69 0.57 -1.15 3.80 3.38 -0.52 -1.38 115.31 120.71 2wnh h LEU 216 Ca 0.19 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wnh h LEU 216 Cb -0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2wnh h LEU 216 CO -0.05 0.65 0.58 1.23 0.09 0.00 0.00 178.44 180.94 2wnh h GLY 217 N 0.46 1.24 0.98 0.83 0.00 -0.57 0.11 103.07 106.13 2wnh h GLY 217 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2wnh h GLY 217 CO 0.00 0.42 -0.12 -0.25 0.00 0.00 0.00 176.54 176.59 2wnh h TRP 218 N 1.15 -0.30 -0.12 5.60 2.91 -0.98 -2.49 115.95 121.71 2wnh h TRP 218 Ca 0.33 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.31 2wnh h TRP 218 Cb -0.07 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 2wnh h TRP 218 CO -0.00 -0.18 -0.09 0.77 -1.03 0.00 0.00 178.44 177.90 2wnh h SER 219 N -0.31 0.17 0.67 2.65 0.02 -0.77 -1.84 113.55 114.14 2wnh h SER 219 Ca -0.03 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2wnh h SER 219 Cb 0.25 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2wnh h SER 219 CO 0.04 0.29 0.00 -0.08 -1.14 0.00 0.00 176.83 175.94 2wnh h GLU 220 N 0.17 0.00 -3.73 3.45 4.57 -0.74 -3.10 114.58 115.21 2wnh h GLU 220 Ca 0.04 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 2wnh h GLU 220 Cb 0.28 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 28.93 2wnh h GLU 220 CO 0.02 0.00 -0.48 -1.71 -1.18 0.00 0.00 179.01 175.65 2wnh n ASN 221 N -2.84 -5.19 -4.76 1.04 5.15 -0.69 -4.92 115.26 103.05 2wnh n ASN 221 Ca 0.00 -0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 53.34 2wnh n ASN 221 Cb 0.22 -4.01 0.03 0.00 -0.53 0.00 0.00 39.78 35.49 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 -5.40 4.01 0.42 1.20 1.43 -0.95 -4.97 118.68 114.43 2wnh s LEU 222 Ca 0.26 2.89 -0.24 0.00 -1.03 0.00 0.00 54.13 56.01 2wnh s LEU 222 Cb -0.12 -4.06 -0.11 0.00 0.03 0.00 0.00 46.19 41.94 2wnh s LEU 222 CO 0.32 -1.35 0.96 -2.65 0.23 0.00 0.00 176.35 173.86 2wnh n PRO 223 N -0.52 1.25 0.12 1.29 -0.02 -1.26 -4.80 135.00 131.05 2wnh n PRO 223 Ca 0.07 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 2wnh n PRO 223 Cb 0.43 -1.98 0.53 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.44 0.25 -1.86 2.45 3.38 -1.93 -0.17 115.31 118.86 2wnh h LEU 224 Ca -0.44 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wnh h LEU 224 Cb 1.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wnh h LEU 224 CO 0.56 0.18 0.00 0.77 0.09 0.00 0.00 178.44 180.04 2wnh h SER 225 N 0.29 0.00 -0.01 -0.43 4.64 -1.90 -1.39 113.55 114.75 2wnh h SER 225 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2wnh h SER 225 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wnh h SER 225 CO -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.80 2wnh n GLN 226 N -2.74 1.78 -0.01 4.77 6.02 -0.12 -3.66 117.38 123.42 2wnh n GLN 226 Ca -0.01 -0.66 -0.01 0.00 -0.01 0.00 0.00 57.00 56.32 2wnh n GLN 226 Cb 0.14 -1.07 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 1.14 0.00 -5.33 1.08 5.85 -1.13 -3.42 115.31 113.50 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 0.32 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 40.94 2wnh h LEU 227 CO 0.00 0.12 -1.11 0.00 -0.34 0.00 0.00 178.44 177.11 2wnh n ALA 228 N -2.37 3.17 -3.49 1.25 0.00 -1.23 -4.94 120.51 112.90 2wnh n ALA 228 Ca -0.01 -3.47 -0.25 0.00 0.00 0.00 0.00 53.44 49.71 2wnh n ALA 228 Cb 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.01 -1.89 -1.00 0.00 8.01 -1.24 -0.61 117.44 120.72 2wnh n TRP 229 Ca 0.19 0.57 0.00 0.00 -1.31 0.00 0.00 57.50 56.96 2wnh n TRP 229 Cb 0.71 -3.27 0.00 0.00 -2.01 0.00 0.00 31.31 26.74 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 -1.31 0.92 0.16 6.99 0.00 -0.55 -4.91 105.19 106.50 2wnh n GLY 230 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 2.70 0.00 -5.09 1.61 1.79 -1.10 -3.43 116.57 113.05 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 0.00 -0.81 0.42 -1.08 0.00 0.00 179.45 177.98 2wnh s ILE 232 N -3.19 2.53 0.00 1.86 1.01 -1.26 -4.95 121.20 117.19 2wnh s ILE 232 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2wnh s ILE 232 Cb 0.08 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2wnh s ILE 232 CO 0.66 0.51 0.04 0.00 0.00 0.00 0.00 174.94 176.15 2wnh n ALA 233 N 4.46 1.24 -2.36 9.38 0.00 -1.26 -4.84 120.51 127.13 2wnh n ALA 233 Ca -0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 2wnh n ALA 233 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.52 0.69 0.38 0.00 -2.07 -1.26 -5.05 119.66 111.82 2wnh s GLN 234 Ca 0.00 -1.13 0.05 0.00 -1.82 0.00 0.00 55.36 52.46 2wnh s GLN 234 Cb 0.00 -0.12 0.75 0.00 -1.09 0.00 0.00 33.01 32.55 2wnh s GLN 234 CO 0.00 -0.02 2.01 0.00 -1.32 0.00 0.00 175.29 175.96 2wnh h ALA 235 N 3.46 1.66 -0.23 2.60 0.00 -1.99 -2.12 119.26 122.64 2wnh h ALA 235 Ca -0.35 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2wnh h ALA 235 Cb 1.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wnh h ALA 235 CO 0.58 0.29 0.16 0.66 0.00 0.00 0.00 179.25 180.94 2wnh h SER 236 N 0.72 0.08 0.53 0.00 4.64 -1.96 -0.69 113.55 116.86 2wnh h SER 236 Ca 0.23 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 2wnh h SER 236 Cb 0.03 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2wnh h SER 236 CO -0.06 0.06 -0.56 1.56 -0.87 0.00 0.00 176.83 176.96 2wnh h GLN 237 N 0.10 0.03 -0.05 4.77 4.20 -1.81 -1.14 115.11 121.21 2wnh h GLN 237 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2wnh h GLN 237 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2wnh h GLN 237 CO -0.01 0.59 -0.07 0.82 -0.67 0.00 0.00 178.83 179.48 2wnh h ILE 238 N 0.03 1.40 -0.83 2.54 1.08 -1.24 -3.27 117.51 117.21 2wnh h ILE 238 Ca -0.00 -1.30 0.17 0.00 -0.39 0.00 0.00 64.86 63.34 2wnh h ILE 238 Cb 1.00 2.14 -0.10 0.00 -3.07 0.00 0.00 36.82 36.79 2wnh h ILE 238 CO 0.07 0.36 0.36 0.74 -0.69 0.00 0.00 178.15 178.99 2wnh h THR 239 N -0.33 0.61 0.00 -0.27 2.02 -1.15 -0.66 112.91 113.13 2wnh h THR 239 Ca 0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2wnh h THR 239 Cb 0.61 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2wnh h THR 239 CO 0.02 0.09 -0.04 0.00 0.37 0.00 0.00 175.52 175.95 2wnh h ALA 240 N 1.61 1.25 0.00 6.16 0.00 -1.26 -2.52 119.26 124.50 2wnh h ALA 240 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2wnh h ALA 240 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wnh h ALA 240 CO -0.44 0.06 -0.70 -0.07 0.00 0.00 0.00 179.25 178.10 2wnh h LEU 241 N 0.00 0.00 -1.72 0.00 3.38 -1.17 -3.40 115.31 112.40 2wnh h LEU 241 Ca -0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2wnh h LEU 241 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wnh h LEU 241 CO 0.01 0.02 -0.14 -0.07 0.09 0.00 0.00 178.44 178.34 2wnh h LEU 242 N 0.00 0.00 -1.66 1.67 3.38 -1.33 -2.74 115.31 114.63 2wnh h LEU 242 Ca 0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 2wnh h LEU 242 Cb 0.95 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 2wnh h LEU 242 CO 0.00 0.14 0.64 -0.65 0.09 0.00 0.00 178.44 178.66 2wnh h PRO 243 N 0.00 0.25 -0.25 1.13 0.10 -1.78 0.15 132.00 131.61 2wnh h PRO 243 Ca -0.00 -0.01 -0.09 0.00 0.10 0.00 0.00 66.00 65.99 2wnh h PRO 243 Cb 0.44 -0.06 -0.01 0.00 0.10 0.00 0.00 31.00 31.47 2wnh h PRO 243 CO 0.02 0.16 -0.23 -0.07 0.10 0.00 0.00 178.00 177.98 2wnh h LEU 244 N 0.25 0.46 -0.12 2.35 3.38 -1.83 -0.66 115.31 119.14 2wnh h LEU 244 Ca 0.48 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 2wnh h LEU 244 Cb 1.46 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.09 2wnh h LEU 244 CO -0.14 0.69 -0.53 0.25 0.09 0.00 0.00 178.44 178.80 2wnh h LEU 245 N 0.41 0.67 -0.48 1.67 5.85 -0.91 -1.73 115.31 120.78 2wnh h LEU 245 Ca 0.06 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.19 2wnh h LEU 245 Cb 0.63 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2wnh h LEU 245 CO 0.05 1.19 0.23 0.74 -0.34 0.00 0.00 178.44 180.31 2wnh h THR 246 N 0.19 0.95 -0.33 1.05 2.02 -1.24 -0.78 112.91 114.76 2wnh h THR 246 Ca -0.03 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2wnh h THR 246 Cb 1.17 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2wnh h THR 246 CO 0.11 0.08 0.22 -0.08 0.37 0.00 0.00 175.52 176.22 2wnh h GLU 247 N 0.46 0.43 -0.67 6.66 4.57 -1.03 0.04 114.58 125.04 2wnh h GLU 247 Ca 0.21 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2wnh h GLU 247 Cb 0.13 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2wnh h GLU 247 CO -0.16 0.29 0.33 -0.97 -1.18 0.00 0.00 179.01 177.32 2wnh h ASN 248 N 0.45 0.87 -0.27 1.04 -0.00 -1.02 -2.58 115.58 114.06 2wnh h ASN 248 Ca 0.12 -0.13 0.03 0.00 -0.00 0.00 0.00 56.30 56.32 2wnh h ASN 248 Cb -0.05 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.02 2wnh h ASN 248 CO -0.03 0.75 0.10 1.88 -0.00 0.00 0.00 177.43 180.13 2wnh h TYR 249 N 0.92 0.19 -1.03 0.67 -1.99 -0.86 -1.84 116.97 113.03 2wnh h TYR 249 Ca 0.23 0.01 0.27 0.00 2.00 0.00 0.00 58.73 61.24 2wnh h TYR 249 Cb 0.11 -0.04 -0.08 0.00 2.00 0.00 0.00 36.73 38.71 2wnh h TYR 249 CO 0.00 0.09 0.68 -0.44 -0.00 0.00 0.00 178.16 178.50 2wnh h ASP 250 N 0.23 0.33 -0.52 3.88 3.32 -0.61 -1.53 116.42 121.53 2wnh h ASP 250 Ca 0.12 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2wnh h ASP 250 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2wnh h ASP 250 CO -0.11 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 2wnh n LEU 251 N -4.51 3.40 0.00 1.55 4.77 -0.89 -3.78 117.00 117.53 2wnh n LEU 251 Ca 0.24 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 2wnh n LEU 251 Cb 0.91 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wnh n LEU 251 CO 0.30 0.85 0.00 -1.54 -1.33 0.00 0.00 177.39 175.66 2wnh n SER 252 N 1.04 0.00 0.27 -1.43 3.41 -0.70 -4.87 113.62 111.35 2wnh n SER 252 Ca 0.18 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2wnh n SER 252 Cb 0.52 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.23 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 -0.53 4.04 2.35 -1.78 -2.55 115.58 117.10 2wnh h ASN 253 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wnh h ASN 253 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2wnh h ASN 253 CO 0.00 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.29 2wnh n ASP 254 N -4.08 3.05 -4.68 5.81 8.00 -0.66 -4.20 116.55 119.80 2wnh n ASP 254 Ca -0.03 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.07 2wnh n ASP 254 Cb 0.12 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.30 4.20 0.17 2.53 1.01 -0.96 -4.92 120.40 121.13 2wnh s VAL 255 Ca 0.38 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.68 2wnh s VAL 255 Cb 0.20 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.72 2wnh s VAL 255 CO 0.27 -0.06 1.65 0.25 0.00 0.00 0.00 175.10 177.21 2wnh h LEU 256 N 8.90 -0.57 -0.48 3.92 5.85 -1.90 -0.58 115.31 130.47 2wnh h LEU 256 Ca -0.31 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2wnh h LEU 256 Cb 1.14 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 2wnh h LEU 256 CO 0.92 -0.20 -0.19 0.22 -0.34 0.00 0.00 178.44 178.85 2wnh h TYR 257 N -0.09 -0.47 -0.45 1.25 3.20 -1.96 0.13 116.97 118.59 2wnh h TYR 257 Ca 0.19 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 2wnh h TYR 257 Cb 0.38 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2wnh h TYR 257 CO -0.41 -0.28 0.13 1.15 -1.64 0.00 0.00 178.16 177.12 2wnh h THR 258 N -0.08 1.23 -0.57 1.81 2.02 -1.58 -1.24 112.91 114.50 2wnh h THR 258 Ca 0.23 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 2wnh h THR 258 Cb 0.44 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2wnh h THR 258 CO -0.54 0.27 0.11 0.00 0.37 0.00 0.00 175.52 175.74 2wnh h ALA 259 N 0.98 1.13 -0.26 6.16 0.00 -0.59 -0.34 119.26 126.34 2wnh h ALA 259 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2wnh h ALA 259 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wnh h ALA 259 CO -0.00 0.58 0.04 1.96 0.00 0.00 0.00 179.25 181.83 2wnh h GLN 260 N 0.85 0.43 -0.40 0.00 4.20 -0.41 0.15 115.11 119.94 2wnh h GLN 260 Ca 0.18 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2wnh h GLN 260 Cb 0.35 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2wnh h GLN 260 CO 0.00 0.56 -0.04 0.87 -0.67 0.00 0.00 178.83 179.55 2wnh h LYS 261 N 0.24 0.74 0.00 1.46 1.79 -0.99 -3.13 116.57 116.67 2wnh h LYS 261 Ca 0.08 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2wnh h LYS 261 Cb 0.34 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2wnh h LYS 261 CO 0.01 0.85 -1.15 0.54 -1.08 0.00 0.00 179.45 178.61 2wnh n ARG 262 N -4.39 0.97 -0.00 3.15 1.74 -0.16 -4.48 116.66 113.49 2wnh n ARG 262 Ca -0.01 -0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.04 2wnh n ARG 262 Cb 0.32 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.43 0.35 0.34 -0.13 0.00 0.52 -4.74 105.19 102.96 2wnh n GLY 263 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.90 -0.57 1.61 0.02 -1.50 -1.71 113.55 112.30 2wnh h SER 264 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2wnh h SER 264 Cb 0.15 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2wnh h SER 264 CO 0.00 0.72 0.30 1.62 -1.14 0.00 0.00 176.83 178.33 2wnh h VAL 265 N 1.02 1.19 0.12 2.27 3.04 -1.83 -0.38 116.25 121.68 2wnh h VAL 265 Ca 0.26 -0.52 -0.15 0.00 -1.01 0.00 0.00 66.70 65.28 2wnh h VAL 265 Cb 0.02 0.41 0.02 0.00 -2.01 0.00 0.00 31.29 29.73 2wnh h VAL 265 CO -0.04 0.22 -0.67 0.25 -1.01 0.00 0.00 177.57 176.32 2wnh h LEU 266 N 0.84 0.38 -0.62 3.16 5.85 -1.69 -2.15 115.31 121.08 2wnh h LEU 266 Ca 0.21 -0.96 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 2wnh h LEU 266 Cb 0.07 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2wnh h LEU 266 CO -0.03 1.32 0.34 0.25 -0.34 0.00 0.00 178.44 179.98 2wnh h LEU 267 N -0.49 0.77 -0.61 2.25 5.85 -1.27 -0.65 115.31 121.17 2wnh h LEU 267 Ca -0.12 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2wnh h LEU 267 Cb 1.53 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 2wnh h LEU 267 CO 0.12 0.64 0.27 -1.13 -0.34 0.00 0.00 178.44 178.00 2wnh h ASN 268 N 0.84 0.32 -0.88 1.25 -1.24 -1.10 0.08 115.58 114.85 2wnh h ASN 268 Ca 0.22 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 2wnh h ASN 268 Cb 0.04 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 2wnh h ASN 268 CO -0.04 0.20 0.49 0.00 -1.29 0.00 0.00 177.43 176.79 2wnh h ALA 269 N 1.39 1.13 -0.20 1.57 0.00 -0.98 -1.36 119.26 120.81 2wnh h ALA 269 Ca 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wnh h ALA 269 Cb 0.32 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wnh h ALA 269 CO -0.26 0.64 -0.13 0.52 0.00 0.00 0.00 179.25 180.02 2wnh h MET 270 N 1.24 0.44 -0.55 0.00 2.86 -0.45 0.69 114.93 119.15 2wnh h MET 270 Ca 0.31 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2wnh h MET 270 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2wnh h MET 270 CO -0.05 0.75 0.13 -0.07 1.06 0.00 0.00 176.91 178.73 2wnh h LEU 271 N 0.13 0.84 -1.13 1.22 3.38 -0.93 -2.28 115.31 116.53 2wnh h LEU 271 Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2wnh h LEU 271 Cb 0.63 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2wnh h LEU 271 CO 0.04 0.86 0.20 0.44 0.09 0.00 0.00 178.44 180.06 2wnh h ASP 272 N 0.78 0.74 0.55 -0.43 3.32 -1.27 -2.84 116.42 117.28 2wnh h ASP 272 Ca 0.17 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2wnh h ASP 272 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wnh h ASP 272 CO 0.00 0.68 -0.20 1.23 -1.72 0.00 0.00 179.24 179.23 2wnh h GLY 273 N 0.94 0.00 0.74 2.75 0.00 -0.35 -2.88 103.07 104.27 2wnh h GLY 273 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wnh h GLY 273 CO -0.01 0.00 -0.71 1.55 0.00 0.00 0.00 176.54 177.37 2wnh n VAL 274 N -3.63 0.06 -2.49 4.60 3.14 -0.91 -4.80 118.33 114.30 2wnh n VAL 274 Ca -0.01 -0.07 -0.34 0.00 -2.96 0.00 0.00 64.34 60.96 2wnh n VAL 274 Cb 0.33 0.35 -0.03 0.00 -1.06 0.00 0.00 33.84 33.44 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 -3.05 3.75 0.89 1.45 1.02 -1.09 -4.74 119.74 117.98 2wnh s LYS 275 Ca 0.09 1.34 -0.11 0.00 0.02 0.00 0.00 55.97 57.31 2wnh s LYS 275 Cb 0.16 -2.09 0.13 0.00 -0.52 0.00 0.00 37.83 35.52 2wnh s LYS 275 CO 0.75 -0.47 1.16 -2.14 -0.92 0.00 0.00 175.35 173.73 2wnh s PRO 276 N -3.33 1.16 -0.08 -1.68 0.02 -1.26 -3.10 135.00 126.72 2wnh s PRO 276 Ca 0.67 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2wnh s PRO 276 Cb -0.16 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2wnh s PRO 276 CO 0.22 -2.54 0.00 0.39 -0.33 0.00 0.00 177.00 174.74 2wnh n GLU 277 N -4.05 -0.45 -1.94 5.54 -0.58 -1.26 -5.00 120.64 112.89 2wnh n GLU 277 Ca 0.12 0.20 -0.37 0.00 -0.42 0.00 0.00 57.16 56.69 2wnh n GLU 277 Cb 0.52 -3.61 0.03 0.00 -0.57 0.00 0.00 31.44 27.81 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 -1.83 2.73 -0.13 0.62 0.00 -1.18 -5.03 121.76 116.95 2wnh s ALA 278 Ca 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 2wnh s ALA 278 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2wnh s ALA 278 CO 0.00 -1.19 -0.11 0.45 0.00 0.00 0.00 175.76 174.91 2wnh s SER 279 N -1.25 4.21 0.67 0.00 0.15 -1.26 -3.42 113.70 112.80 2wnh s SER 279 Ca 0.73 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 2wnh s SER 279 Cb -0.35 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.36 2wnh s SER 279 CO 0.40 0.18 1.05 -2.16 1.20 0.00 0.00 173.24 173.92 2wnh s PRO 280 N 0.25 3.14 -1.04 5.44 0.04 -1.26 -4.49 135.00 137.08 2wnh s PRO 280 Ca -0.08 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 2wnh s PRO 280 Cb -0.15 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2wnh s PRO 280 CO 0.05 -0.94 1.42 1.21 0.04 0.00 0.00 177.00 178.78 2wnh s ASN 281 N -3.79 6.60 0.14 6.66 2.47 -1.22 -4.96 114.94 120.83 2wnh s ASN 281 Ca 0.58 -1.77 0.04 0.00 0.42 0.00 0.00 52.86 52.13 2wnh s ASN 281 Cb -0.13 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 2wnh s ASN 281 CO 0.53 -1.34 -0.11 0.68 -3.72 0.00 0.00 177.10 173.15 2wnh s VAL 282 N 4.24 1.15 0.22 -5.21 -7.23 -1.26 -4.63 120.40 107.68 2wnh s VAL 282 Ca 0.44 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2wnh s VAL 282 Cb -0.01 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 2wnh s VAL 282 CO -0.07 -0.69 1.49 0.03 -0.31 0.00 0.00 175.10 175.55 2wnh h ARG 283 N 2.98 0.03 -3.15 4.82 2.47 -0.84 -3.45 114.38 117.23 2wnh h ARG 283 Ca -0.37 -0.03 -0.37 0.00 -1.26 0.00 0.00 59.98 57.95 2wnh h ARG 283 Cb 1.19 0.01 -0.39 0.00 -1.65 0.00 0.00 29.97 29.13 2wnh h ARG 283 CO 0.61 0.77 -0.71 -0.46 0.56 0.00 0.00 179.97 180.73 2wnh s TRP 284 N -3.31 0.02 -0.26 3.04 -0.00 -0.71 -1.11 118.94 116.62 2wnh s TRP 284 Ca -0.01 0.19 -0.09 0.00 -0.00 0.00 0.00 56.10 56.19 2wnh s TRP 284 Cb 0.12 -0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 33.06 2wnh s TRP 284 CO 0.79 -0.31 0.13 -1.17 -0.00 0.00 0.00 176.95 176.39 2wnh s LEU 285 N 2.20 3.82 -0.19 5.86 2.96 0.32 -1.65 118.68 132.00 2wnh s LEU 285 Ca 0.04 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2wnh s LEU 285 Cb -0.13 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.55 2wnh s LEU 285 CO -0.06 -0.01 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.58 2wnh s LEU 286 N 1.48 2.28 -0.11 -0.68 2.96 -0.43 -0.60 118.68 123.58 2wnh s LEU 286 Ca 0.06 -0.77 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2wnh s LEU 286 Cb -0.15 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2wnh s LEU 286 CO 0.07 -0.06 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.18 2wnh s LEU 287 N 1.31 2.93 -0.14 -0.68 1.43 0.94 -0.55 118.68 123.93 2wnh s LEU 287 Ca 0.02 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2wnh s LEU 287 Cb -0.15 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2wnh s LEU 287 CO -0.11 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 175.93 2wnh s VAL 288 N -0.08 1.25 0.00 -1.59 1.01 -0.56 -0.63 120.40 119.80 2wnh s VAL 288 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2wnh s VAL 288 Cb -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2wnh s VAL 288 CO 0.03 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.48 2wnh n ALA 289 N 4.86 0.00 -2.43 5.51 0.00 -0.08 -0.42 120.51 127.95 2wnh n ALA 289 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2wnh n ALA 289 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 1.59 2.08 0.40 0.00 3.76 -1.26 -1.42 115.29 120.43 2wnh s HIS 290 Ca 0.00 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2wnh s HIS 290 Cb 0.00 -0.99 0.82 0.00 1.11 0.00 0.00 32.58 33.52 2wnh s HIS 290 CO 0.00 0.54 2.05 0.38 -0.85 0.00 0.00 174.74 176.86 2wnh h ASP 291 N 2.33 0.52 -0.53 1.40 3.04 -1.93 -1.83 116.42 119.43 2wnh h ASP 291 Ca -0.40 -0.01 0.11 0.00 -3.24 0.00 0.00 57.03 53.49 2wnh h ASP 291 Cb 1.24 -0.13 -0.09 0.00 -1.04 0.00 0.00 39.33 39.31 2wnh h ASP 291 CO 0.63 0.38 -0.01 0.74 -2.04 0.00 0.00 179.24 178.93 2wnh h THR 292 N 0.62 0.56 -0.25 1.15 2.02 -1.99 0.37 112.91 115.39 2wnh h THR 292 Ca 0.17 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 2wnh h THR 292 Cb -0.06 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2wnh h THR 292 CO -0.04 0.02 0.05 0.78 0.37 0.00 0.00 175.52 176.70 2wnh h ASN 293 N 0.11 0.39 -0.48 4.18 4.21 -1.72 -1.65 115.58 120.63 2wnh h ASN 293 Ca 0.27 -0.25 0.02 0.00 1.21 0.00 0.00 56.30 57.55 2wnh h ASN 293 Cb 0.42 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 2wnh h ASN 293 CO -0.46 0.54 0.29 0.40 -1.29 0.00 0.00 177.43 176.92 2wnh h ILE 294 N 0.23 1.07 -0.50 2.81 2.04 -1.14 -1.25 117.51 120.77 2wnh h ILE 294 Ca 0.08 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2wnh h ILE 294 Cb 0.31 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2wnh h ILE 294 CO 0.00 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.57 2wnh h ALA 295 N 1.20 0.64 -0.36 1.87 0.00 -0.83 -0.74 119.26 121.04 2wnh h ALA 295 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2wnh h ALA 295 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wnh h ALA 295 CO -0.07 0.02 0.10 0.52 0.00 0.00 0.00 179.25 179.81 2wnh h MET 296 N 0.62 0.58 -0.18 0.00 2.86 -1.07 -1.25 114.93 116.49 2wnh h MET 296 Ca 0.20 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2wnh h MET 296 Cb -0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2wnh h MET 296 CO -0.08 0.61 0.05 0.28 1.06 0.00 0.00 176.91 178.83 2wnh h VAL 297 N 0.44 0.94 -0.21 -2.22 2.07 -1.03 -1.68 116.25 114.55 2wnh h VAL 297 Ca 0.12 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 2wnh h VAL 297 Cb 0.29 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2wnh h VAL 297 CO -0.00 0.02 -0.16 0.08 0.02 0.00 0.00 177.57 177.53 2wnh h ARG 298 N 0.12 0.35 -0.30 1.57 -0.00 -1.05 -0.58 114.38 114.50 2wnh h ARG 298 Ca 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2wnh h ARG 298 Cb 0.06 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 29.98 2wnh h ARG 298 CO -0.09 0.52 0.19 1.15 -0.00 0.00 0.00 179.97 181.74 2wnh h THR 299 N 0.33 1.09 -0.37 0.08 2.02 -0.91 -1.14 112.91 114.02 2wnh h THR 299 Ca 0.06 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2wnh h THR 299 Cb 0.49 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2wnh h THR 299 CO 0.03 0.09 0.07 -0.07 0.37 0.00 0.00 175.52 176.01 2wnh h LEU 300 N 0.39 0.50 -0.70 2.58 3.38 -0.84 -0.84 115.31 119.78 2wnh h LEU 300 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wnh h LEU 300 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2wnh h LEU 300 CO -0.02 0.53 0.00 0.23 0.09 0.00 0.00 178.44 179.27 2wnh n MET 301 N -4.32 0.21 -3.74 1.13 2.81 -0.27 -4.27 117.12 108.67 2wnh n MET 301 Ca 0.02 0.42 -0.26 0.00 -1.81 0.00 0.00 57.70 56.07 2wnh n MET 301 Cb 0.20 -1.89 0.05 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.28 -5.25 -4.25 7.83 4.05 -0.32 -4.79 115.26 110.26 2wnh n ASN 302 Ca 0.02 -0.67 -0.35 0.00 0.45 0.00 0.00 54.58 54.04 2wnh n ASN 302 Cb 0.24 -4.47 -0.14 0.00 1.23 0.00 0.00 39.78 36.64 2wnh n ASN 302 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 2wnh s PHE 303 N -3.33 2.96 0.03 1.20 5.36 -0.53 -5.05 117.98 118.62 2wnh s PHE 303 Ca 0.57 -1.24 0.08 0.00 -0.96 0.00 0.00 56.93 55.38 2wnh s PHE 303 Cb -0.27 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2wnh s PHE 303 CO 0.78 -0.65 -0.23 0.45 -1.46 0.00 0.00 175.22 174.11 2wnh s SER 304 N 1.40 3.40 0.07 6.13 0.15 -1.26 -4.60 113.70 118.99 2wnh s SER 304 Ca 0.04 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2wnh s SER 304 Cb -0.15 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 2wnh s SER 304 CO -0.05 0.27 -0.05 -1.66 1.20 0.00 0.00 173.24 172.95 2wnh s TRP 305 N -0.81 0.67 -0.17 3.44 -2.14 -1.26 -5.02 118.94 113.66 2wnh s TRP 305 Ca 0.12 -0.94 -0.04 0.00 2.66 0.00 0.00 56.10 57.90 2wnh s TRP 305 Cb -0.10 -0.43 0.08 0.00 -3.10 0.00 0.00 33.47 29.92 2wnh s TRP 305 CO 0.02 -0.26 0.23 -1.14 -2.66 0.00 0.00 176.95 173.15 2wnh s GLN 306 N -3.59 0.16 0.10 3.25 0.74 -1.26 0.16 119.66 119.21 2wnh s GLN 306 Ca 0.07 0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.89 2wnh s GLN 306 Cb 0.05 -0.73 -0.04 0.00 1.10 0.00 0.00 33.01 33.39 2wnh s GLN 306 CO -0.07 -0.50 0.26 -0.51 -0.55 0.00 0.00 175.29 173.92 2wnh s LEU 307 N 2.35 4.33 0.00 3.68 1.43 -1.26 -5.03 118.68 124.19 2wnh s LEU 307 Ca 0.05 0.29 -0.37 0.00 -1.03 0.00 0.00 54.13 53.07 2wnh s LEU 307 Cb -0.14 -3.00 -0.16 0.00 0.03 0.00 0.00 46.19 42.91 2wnh s LEU 307 CO -0.10 0.11 1.44 -2.65 0.23 0.00 0.00 176.35 175.38 2wnh n PRO 308 N -0.00 1.18 -0.77 1.29 -0.02 -1.26 -1.28 135.00 134.13 2wnh n PRO 308 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2wnh n PRO 308 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.94 1.03 3.37 -1.23 0.00 -1.26 -4.87 105.19 105.16 2wnh n GLY 309 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.61 2.02 0.79 1.61 2.02 -0.40 -4.54 117.35 115.25 2wnh s TYR 310 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 2wnh s TYR 310 Cb 0.00 -1.02 0.08 0.00 -0.40 0.00 0.00 41.96 40.62 2wnh s TYR 310 CO 0.00 0.38 1.15 -1.54 -1.57 0.00 0.00 175.55 173.97 2wnh s SER 311 N -2.56 4.51 0.07 2.29 1.04 -1.26 -4.40 113.70 113.39 2wnh s SER 311 Ca 0.17 0.67 -0.35 0.00 0.48 0.00 0.00 55.95 56.92 2wnh s SER 311 Cb -0.07 -1.18 -0.14 0.00 0.10 0.00 0.00 66.02 64.72 2wnh s SER 311 CO 0.08 -1.87 1.57 -1.14 0.98 0.00 0.00 173.24 172.86 2wnh n ARG 312 N -3.24 1.80 -0.90 4.02 0.63 -1.26 -2.25 116.66 115.46 2wnh n ARG 312 Ca 0.08 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2wnh n ARG 312 Cb 0.61 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.13 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 3.37 0.70 3.71 5.14 0.00 0.12 -4.75 105.19 113.49 2wnh n GLY 313 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.04 3.13 -4.01 1.61 2.85 -0.96 -4.98 115.26 112.86 2wnh n ASN 314 Ca 0.00 1.19 -0.32 0.00 -0.11 0.00 0.00 54.58 55.33 2wnh n ASN 314 Cb 0.02 -1.51 -0.13 0.00 1.24 0.00 0.00 39.78 39.40 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 -0.69 2.88 0.78 -1.44 1.01 -1.26 -4.99 121.20 117.49 2wnh s ILE 315 Ca 0.59 -2.97 -0.12 0.00 0.00 0.00 0.00 60.65 58.15 2wnh s ILE 315 Cb -0.56 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.00 2wnh s ILE 315 CO 0.57 -0.78 1.12 -2.84 0.00 0.00 0.00 174.94 173.01 2wnh s PRO 316 N 0.07 2.06 0.35 2.79 0.02 -1.26 -4.94 135.00 134.10 2wnh s PRO 316 Ca 0.15 1.35 -0.28 0.00 0.02 0.00 0.00 61.00 62.24 2wnh s PRO 316 Cb -0.23 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 2wnh s PRO 316 CO -0.03 -1.82 1.44 -0.35 -0.33 0.00 0.00 177.00 175.92 2wnh n PRO 317 N -3.42 2.50 -1.06 5.54 -0.04 -1.26 -1.74 135.00 135.51 2wnh n PRO 317 Ca 0.10 0.88 -0.02 0.00 -0.04 0.00 0.00 63.50 64.42 2wnh n PRO 317 Cb 0.52 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 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 0.82 0.36 3.86 0.55 0.00 -0.14 -4.83 105.19 105.81 2wnh n GLY 318 Ca 0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.13 5.35 0.04 1.61 1.04 -0.71 -4.76 113.70 114.14 2wnh s SER 319 Ca 0.00 1.27 -0.14 0.00 0.48 0.00 0.00 55.95 57.55 2wnh s SER 319 Cb 0.00 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 64.04 2wnh s SER 319 CO 0.00 -1.42 0.32 -0.94 0.98 0.00 0.00 173.24 172.19 2wnh s SER 320 N -4.17 -0.15 -0.20 7.02 1.04 -0.41 -0.89 113.70 115.95 2wnh s SER 320 Ca 0.58 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.77 2wnh s SER 320 Cb -0.12 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 2wnh s SER 320 CO 0.53 -0.62 0.11 -0.22 0.98 0.00 0.00 173.24 174.02 2wnh s LEU 321 N -2.04 4.09 -0.04 2.42 2.96 -0.15 -1.09 118.68 124.83 2wnh s LEU 321 Ca -0.05 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 2wnh s LEU 321 Cb -0.01 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2wnh s LEU 321 CO -0.03 0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.29 2wnh s VAL 322 N 0.40 1.55 -0.13 1.68 1.01 0.22 -0.84 120.40 124.29 2wnh s VAL 322 Ca 0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2wnh s VAL 322 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2wnh s VAL 322 CO -0.01 0.44 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 2wnh s LEU 323 N -0.08 2.75 -0.09 3.92 1.43 0.42 -1.38 118.68 125.66 2wnh s LEU 323 Ca -0.02 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2wnh s LEU 323 Cb -0.11 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2wnh s LEU 323 CO 0.02 0.18 -0.20 -1.61 0.23 0.00 0.00 176.35 174.96 2wnh s GLU 324 N 0.28 2.64 -0.24 1.70 2.02 0.25 -0.40 118.70 124.96 2wnh s GLU 324 Ca -0.09 -0.74 -0.16 0.00 0.02 0.00 0.00 54.97 54.00 2wnh s GLU 324 Cb -0.16 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2wnh s GLU 324 CO 0.05 0.11 0.44 0.50 0.02 0.00 0.00 175.26 176.38 2wnh s ARG 325 N 0.49 4.11 0.20 1.61 3.52 -0.25 -0.84 118.95 127.79 2wnh s ARG 325 Ca -0.16 0.22 0.09 0.00 -0.13 0.00 0.00 55.73 55.75 2wnh s ARG 325 Cb -0.17 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 2wnh s ARG 325 CO 0.06 -0.20 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.68 2wnh s TRP 326 N 1.82 2.61 -0.03 5.12 0.52 -0.34 -0.56 118.94 128.08 2wnh s TRP 326 Ca 0.19 -0.23 0.03 0.00 0.02 0.00 0.00 56.10 56.11 2wnh s TRP 326 Cb -0.15 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 2wnh s TRP 326 CO 0.09 0.55 -0.11 0.50 0.02 0.00 0.00 176.95 177.99 2wnh s ARG 327 N -3.03 1.24 -0.43 4.98 3.52 0.14 -0.88 118.95 124.49 2wnh s ARG 327 Ca 0.26 -0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.18 2wnh s ARG 327 Cb -0.08 -1.12 0.01 0.00 -1.56 0.00 0.00 34.95 32.20 2wnh s ARG 327 CO 0.16 0.14 1.44 0.34 -0.81 0.00 0.00 175.30 176.57 2wnh s ASP 328 N 0.19 6.27 0.00 -2.12 2.15 -0.16 -0.69 116.67 122.32 2wnh s ASP 328 Ca -0.04 0.78 0.19 0.00 0.43 0.00 0.00 52.55 53.90 2wnh s ASP 328 Cb -0.10 -2.54 0.85 0.00 -0.30 0.00 0.00 42.92 40.83 2wnh s ASP 328 CO 0.01 -1.49 1.61 0.00 -0.17 0.00 0.00 175.17 175.12 2wnh n ALA 329 N 9.04 1.90 1.17 3.66 0.00 -0.17 0.26 120.51 136.37 2wnh n ALA 329 Ca 0.16 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.67 2wnh n ALA 329 Cb 0.48 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 19.14 2wnh n ALA 329 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wnh n LYS 330 N -1.45 0.29 0.00 0.00 5.02 -1.26 -4.52 118.16 116.24 2wnh n LYS 330 Ca 0.06 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2wnh n LYS 330 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2wnh n LYS 330 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wnh n SER 331 N -1.27 0.00 0.00 4.39 3.41 -0.67 -5.01 113.62 114.47 2wnh n SER 331 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2wnh n SER 331 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2wnh n SER 331 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wnh n GLY 332 N 0.00 0.86 3.74 5.00 0.00 0.14 -5.02 105.19 109.91 2wnh n GLY 332 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wnh n GLY 332 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wnh s GLU 333 N -0.02 4.46 0.01 1.61 2.56 -1.24 -4.76 118.70 121.32 2wnh s GLU 333 Ca 0.00 1.97 -0.01 0.00 0.00 0.00 0.00 54.97 56.93 2wnh s GLU 333 Cb 0.00 -3.20 -0.04 0.00 2.00 0.00 0.00 34.13 32.89 2wnh s GLU 333 CO 0.00 -0.12 0.15 1.03 -0.56 0.00 0.00 175.26 175.76 2wnh s ARG 334 N -0.52 3.27 0.09 4.30 0.52 -1.26 -0.99 118.95 124.36 2wnh s ARG 334 Ca 0.53 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2wnh s ARG 334 Cb -0.35 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2wnh s ARG 334 CO 0.40 0.65 -0.07 0.71 0.02 0.00 0.00 175.30 177.00 2wnh s TYR 335 N -1.32 0.88 -0.03 -0.53 1.51 -0.06 -1.92 117.35 115.89 2wnh s TYR 335 Ca 0.27 -0.85 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 2wnh s TYR 335 Cb -0.12 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.20 2wnh s TYR 335 CO 0.19 -0.13 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.09 2wnh s LEU 336 N -2.85 2.17 -0.06 -1.29 2.96 0.13 -1.20 118.68 118.53 2wnh s LEU 336 Ca 0.09 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 2wnh s LEU 336 Cb 0.03 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 2wnh s LEU 336 CO -0.04 0.31 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.52 2wnh s ARG 337 N -0.56 2.61 -0.06 1.98 3.52 -0.02 -0.31 118.95 126.13 2wnh s ARG 337 Ca 0.08 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2wnh s ARG 337 Cb -0.11 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2wnh s ARG 337 CO -0.00 0.47 -0.03 0.08 -0.81 0.00 0.00 175.30 175.01 2wnh s VAL 338 N -0.36 0.50 0.17 7.11 1.01 -1.26 -0.58 120.40 126.98 2wnh s VAL 338 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2wnh s VAL 338 Cb -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2wnh s VAL 338 CO 0.02 0.24 0.42 -0.72 0.00 0.00 0.00 175.10 175.06 2wnh s TYR 339 N 1.31 0.01 -0.05 5.22 1.13 -0.48 -0.93 117.35 123.57 2wnh s TYR 339 Ca -0.05 -0.36 0.06 0.00 -1.41 0.00 0.00 57.07 55.31 2wnh s TYR 339 Cb -0.13 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2wnh s TYR 339 CO -0.02 -0.81 -0.23 0.12 -2.51 0.00 0.00 175.55 172.10 2wnh s PHE 340 N -3.88 2.46 0.04 -3.49 5.36 -0.40 -0.61 117.98 117.45 2wnh s PHE 340 Ca 0.10 -0.58 0.03 0.00 -0.96 0.00 0.00 56.93 55.52 2wnh s PHE 340 Cb 0.01 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 41.08 2wnh s PHE 340 CO -0.04 -0.12 -0.10 1.14 -1.46 0.00 0.00 175.22 174.64 2wnh s GLN 341 N -0.32 0.64 0.21 10.12 -2.07 -0.25 -1.34 119.66 126.65 2wnh s GLN 341 Ca 0.01 -0.70 -0.17 0.00 -1.82 0.00 0.00 55.36 52.68 2wnh s GLN 341 Cb -0.13 -0.52 0.02 0.00 -1.09 0.00 0.00 33.01 31.29 2wnh s GLN 341 CO 0.02 0.12 0.54 0.00 -1.32 0.00 0.00 175.29 174.65 2wnh s ALA 342 N -1.06 -0.89 0.17 2.60 0.00 -0.54 -1.28 121.76 120.76 2wnh s ALA 342 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 2wnh s ALA 342 Cb -0.08 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 2wnh s ALA 342 CO 0.01 -0.83 0.42 -0.65 0.00 0.00 0.00 175.76 174.70 2wnh s GLN 343 N -3.89 3.63 0.93 0.00 -0.21 -1.26 -0.71 119.66 118.15 2wnh s GLN 343 Ca 0.11 -0.06 -0.11 0.00 0.02 0.00 0.00 55.36 55.31 2wnh s GLN 343 Cb -0.01 -2.80 0.15 0.00 1.00 0.00 0.00 33.01 31.34 2wnh s GLN 343 CO -0.01 0.42 1.09 0.20 -2.12 0.00 0.00 175.29 174.87 2wnh s GLY 344 N -2.57 1.62 0.15 3.09 0.00 -1.26 -4.82 107.32 103.53 2wnh s GLY 344 Ca 0.42 0.06 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 2wnh s GLY 344 CO 0.25 0.56 1.80 1.41 0.00 0.00 0.00 173.10 177.13 2wnh h LEU 345 N -1.74 0.41 -0.54 0.66 3.38 -1.91 -1.66 115.31 113.90 2wnh h LEU 345 Ca -0.50 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 2wnh h LEU 345 Cb 1.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2wnh h LEU 345 CO 0.51 0.29 -0.68 0.44 0.09 0.00 0.00 178.44 179.10 2wnh h ASP 346 N 0.49 0.30 -0.82 -0.43 3.32 -1.96 -1.97 116.42 115.36 2wnh h ASP 346 Ca 0.15 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2wnh h ASP 346 Cb -0.03 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2wnh h ASP 346 CO -0.05 0.89 0.40 0.44 -1.72 0.00 0.00 179.24 179.19 2wnh h ASP 347 N 0.18 1.07 -0.13 6.45 3.32 -1.87 0.58 116.42 126.02 2wnh h ASP 347 Ca -0.02 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2wnh h ASP 347 Cb 1.22 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 2wnh h ASP 347 CO 0.11 0.90 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.44 2wnh h LEU 348 N 1.17 0.25 -1.11 1.55 3.38 -1.23 -0.39 115.31 118.94 2wnh h LEU 348 Ca 0.28 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2wnh h LEU 348 Cb 0.11 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2wnh h LEU 348 CO -0.04 0.55 0.60 -0.09 0.09 0.00 0.00 178.44 179.55 2wnh h ARG 349 N -0.05 1.06 -0.01 1.13 2.43 -1.02 -2.40 114.38 115.52 2wnh h ARG 349 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wnh h ARG 349 Cb 0.43 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2wnh h ARG 349 CO 0.01 0.70 -0.03 0.54 -1.51 0.00 0.00 179.97 179.69 2wnh n ARG 350 N -4.48 1.46 -4.03 0.20 1.74 0.17 -4.45 116.66 107.27 2wnh n ARG 350 Ca 0.13 -0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 56.15 2wnh n ARG 350 Cb 0.16 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.11 -2.17 -4.72 0.55 4.77 -0.78 -4.92 117.00 109.61 2wnh n LEU 351 Ca 0.19 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 2wnh n LEU 351 Cb 0.32 -2.29 -0.03 0.00 -2.33 0.00 0.00 43.42 39.09 2wnh n LEU 351 CO 0.18 0.39 0.99 -1.58 -1.33 0.00 0.00 177.39 176.03 2wnh s GLN 352 N -6.67 4.38 0.16 3.23 2.00 -0.22 -5.01 119.66 117.52 2wnh s GLN 352 Ca 0.45 1.97 -0.30 0.00 -2.00 0.00 0.00 55.36 55.48 2wnh s GLN 352 Cb -0.24 -3.26 -0.07 0.00 0.80 0.00 0.00 33.01 30.24 2wnh s GLN 352 CO 0.88 -0.33 1.07 0.99 -0.50 0.00 0.00 175.29 177.41 2wnh s THR 353 N 0.81 4.01 -1.31 -0.34 2.01 -1.26 -4.87 115.64 114.68 2wnh s THR 353 Ca 0.61 1.71 -0.14 0.00 0.31 0.00 0.00 61.69 64.17 2wnh s THR 353 Cb -0.34 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2wnh s THR 353 CO 0.32 0.28 2.33 -0.81 -0.69 0.00 0.00 174.62 176.05 2wnh n PRO 354 N 2.51 2.71 -1.95 4.92 -0.04 -1.26 -4.68 135.00 137.21 2wnh n PRO 354 Ca 0.03 -2.25 -0.30 0.00 -0.04 0.00 0.00 63.50 60.94 2wnh n PRO 354 Cb 0.47 -3.02 0.21 0.00 -0.04 0.00 0.00 33.50 31.11 2wnh n PRO 354 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2wnh s ASP 355 N 3.33 2.83 0.58 3.54 1.47 -1.24 -4.58 116.67 122.60 2wnh s ASP 355 Ca 0.53 0.14 0.30 0.00 1.18 0.00 0.00 52.55 54.70 2wnh s ASP 355 Cb 0.15 -0.09 1.43 0.00 -0.34 0.00 0.00 42.92 44.07 2wnh s ASP 355 CO -0.04 -2.90 1.82 0.00 0.68 0.00 0.00 175.17 174.73 2wnh h ALA 356 N -1.75 2.45 0.00 2.11 0.00 -2.00 -2.16 119.26 117.91 2wnh h ALA 356 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wnh h ALA 356 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wnh h ALA 356 CO 0.32 -0.96 -1.12 1.04 0.00 0.00 0.00 179.25 178.53 2wnh n GLN 357 N -3.78 0.45 -3.25 0.00 3.00 -1.26 -4.41 117.38 108.13 2wnh n GLN 357 Ca 0.13 0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 56.89 2wnh n GLN 357 Cb 0.86 -1.67 -0.08 0.00 0.00 0.00 0.00 30.24 29.35 2wnh n GLN 357 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2wnh n HIS 358 N -2.27 0.13 -1.69 1.08 8.25 -0.82 -5.13 115.22 114.77 2wnh n HIS 358 Ca 0.01 -3.62 -0.32 0.00 -0.26 0.00 0.00 57.72 53.53 2wnh n HIS 358 Cb 0.49 -0.32 0.04 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.22 2.98 0.41 -0.41 0.04 -1.15 -3.69 135.00 131.97 2wnh s PRO 359 Ca 0.35 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 2wnh s PRO 359 Cb 0.15 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2wnh s PRO 359 CO -0.11 -1.07 1.03 -1.33 0.04 0.00 0.00 177.00 175.57 2wnh n MET 360 N -2.83 1.41 -2.50 4.56 2.81 -1.26 -4.92 117.12 114.39 2wnh n MET 360 Ca 0.08 0.50 -0.41 0.00 -1.81 0.00 0.00 57.70 56.06 2wnh n MET 360 Cb 0.53 -2.06 -0.04 0.00 -0.71 0.00 0.00 33.22 30.94 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 -0.56 4.48 -0.06 4.03 1.43 0.11 -4.94 118.68 123.18 2wnh s LEU 361 Ca 0.63 2.11 -0.09 0.00 -1.03 0.00 0.00 54.13 55.74 2wnh s LEU 361 Cb -0.56 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.07 2wnh s LEU 361 CO 0.57 -0.24 0.23 -0.60 0.23 0.00 0.00 176.35 176.54 2wnh s ARG 362 N -0.36 0.38 -0.05 1.70 3.52 -1.26 -1.47 118.95 121.41 2wnh s ARG 362 Ca 0.50 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 2wnh s ARG 362 Cb -0.30 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 2wnh s ARG 362 CO 0.35 -0.07 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.57 2wnh s GLN 363 N -0.40 0.96 -0.02 5.12 0.74 -0.45 -5.00 119.66 120.62 2wnh s GLN 363 Ca -0.05 -0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.13 2wnh s GLN 363 Cb -0.03 -0.91 -0.05 0.00 1.10 0.00 0.00 33.01 33.12 2wnh s GLN 363 CO 0.01 -0.05 0.25 -1.21 -0.55 0.00 0.00 175.29 173.74 2wnh s GLU 364 N 0.82 3.58 0.49 1.67 2.02 -1.26 -1.27 118.70 124.74 2wnh s GLU 364 Ca -0.12 -0.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.62 2wnh s GLU 364 Cb -0.14 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 30.89 2wnh s GLU 364 CO 0.01 0.68 1.02 -0.46 0.02 0.00 0.00 175.26 176.53 2wnh s TRP 365 N -1.23 3.07 0.18 1.61 -0.00 -0.11 -4.99 118.94 117.48 2wnh s TRP 365 Ca 0.25 1.57 -0.16 0.00 -0.00 0.00 0.00 56.10 57.76 2wnh s TRP 365 Cb -0.13 -3.01 0.02 0.00 -0.00 0.00 0.00 33.47 30.35 2wnh s TRP 365 CO 0.14 -0.70 0.48 -0.98 -0.00 0.00 0.00 176.95 175.89 2wnh s ARG 366 N -3.33 1.32 0.18 5.86 1.70 -1.26 -4.64 118.95 118.77 2wnh s ARG 366 Ca 0.66 -0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 54.90 2wnh s ARG 366 Cb -0.15 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2wnh s ARG 366 CO 0.21 -0.55 0.40 1.14 -1.08 0.00 0.00 175.30 175.41 2wnh s GLN 367 N -3.88 1.25 0.29 3.89 -2.07 -1.26 -5.08 119.66 112.80 2wnh s GLN 367 Ca 0.09 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.34 2wnh s GLN 367 Cb -0.00 0.45 -0.14 0.00 -1.09 0.00 0.00 33.01 32.22 2wnh s GLN 367 CO -0.03 -0.50 0.97 -2.30 -1.32 0.00 0.00 175.29 172.11 2wnh n PRO 368 N -0.27 1.24 0.00 9.60 -0.02 -1.26 -1.88 135.00 142.41 2wnh n PRO 368 Ca -0.09 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2wnh n PRO 368 Cb 0.63 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.28 2.16 3.79 -1.23 0.00 -1.26 -5.02 105.19 104.91 2wnh n GLY 369 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.37 1.16 -0.28 0.00 1.70 0.19 -4.95 118.95 113.40 2wnh s ARG 371 Ca 0.69 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 55.14 2wnh s ARG 371 Cb -0.19 -1.12 0.01 0.00 -0.57 0.00 0.00 34.95 33.08 2wnh s ARG 371 CO 0.25 0.31 1.07 -0.65 -1.08 0.00 0.00 175.30 175.19 2wnh s GLN 372 N -0.36 4.15 0.46 3.89 -1.52 -1.26 -0.99 119.66 124.02 2wnh s GLN 372 Ca 0.05 1.20 0.04 0.00 -1.95 0.00 0.00 55.36 54.71 2wnh s GLN 372 Cb -0.06 -3.70 -0.05 0.00 -0.22 0.00 0.00 33.01 28.99 2wnh s GLN 372 CO -0.00 -0.79 0.01 0.95 -0.25 0.00 0.00 175.29 175.20 2wnh s THR 373 N 3.48 1.58 -0.90 -0.19 -4.23 -0.08 -5.00 115.64 110.29 2wnh s THR 373 Ca 0.45 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.10 2wnh s THR 373 Cb -0.13 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 71.23 2wnh s THR 373 CO 0.12 0.00 1.44 0.47 -0.54 0.00 0.00 174.62 176.10 2wnh n ASP 374 N -1.11 0.11 -0.65 3.99 8.00 -1.26 -1.92 116.55 123.71 2wnh n ASP 374 Ca -0.12 0.53 0.07 0.00 0.71 0.00 0.00 54.79 55.98 2wnh n ASP 374 Cb 0.67 -0.55 0.11 0.00 -0.02 0.00 0.00 41.12 41.32 2wnh n ASP 374 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2wnh n VAL 375 N -1.63 0.37 0.00 2.53 0.24 -1.26 -5.10 118.33 113.49 2wnh n VAL 375 Ca 0.03 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2wnh n VAL 375 Cb 0.15 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.78 0.58 3.59 7.63 0.00 -0.81 -5.01 105.19 111.95 2wnh n GLY 376 Ca 0.11 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.66 4.55 -0.15 2.61 2.01 -1.26 -0.90 115.64 121.85 2wnh s THR 377 Ca 0.00 1.08 -0.03 0.00 0.31 0.00 0.00 61.69 63.05 2wnh s THR 377 Cb 0.00 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2wnh s THR 377 CO 0.00 -0.62 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.52 2wnh s LEU 378 N 3.56 3.29 -0.11 4.42 1.02 -0.16 -4.38 118.68 126.32 2wnh s LEU 378 Ca 0.38 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.46 2wnh s LEU 378 Cb -0.11 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 2wnh s LEU 378 CO 0.21 0.20 -0.19 0.00 0.02 0.00 0.00 176.35 176.58 2wnh n PRO 380 N 3.44 0.59 0.31 0.00 -0.02 -1.26 0.17 135.00 138.23 2wnh n PRO 380 Ca -0.18 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.34 2wnh n PRO 380 Cb 0.53 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 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 4.16 -0.68 -0.40 6.00 3.57 -1.67 -1.74 116.94 126.17 2wnh h PHE 381 Ca -0.49 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.97 2wnh h PHE 381 Cb 1.38 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 2wnh h PHE 381 CO 0.60 -0.42 0.16 0.37 -2.23 0.00 0.00 178.31 176.80 2wnh h GLN 382 N -0.75 0.60 -0.41 1.11 5.75 -1.88 -1.36 115.11 118.17 2wnh h GLN 382 Ca -0.08 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2wnh h GLN 382 Cb 0.57 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2wnh h GLN 382 CO 0.12 0.56 0.27 0.00 -2.65 0.00 0.00 178.83 177.13 2wnh h ALA 383 N 1.01 1.71 -0.09 3.38 0.00 -1.93 -0.83 119.26 122.52 2wnh h ALA 383 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wnh h ALA 383 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wnh h ALA 383 CO -0.01 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 2wnh h ALA 384 N 1.75 0.13 -0.48 0.00 0.00 -0.81 -1.89 119.26 117.96 2wnh h ALA 384 Ca 0.15 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wnh h ALA 384 Cb -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2wnh h ALA 384 CO -0.03 -0.01 0.13 0.82 0.00 0.00 0.00 179.25 180.16 2wnh h ILE 385 N -0.21 0.78 -0.23 0.00 1.08 -1.02 0.20 117.51 118.11 2wnh h ILE 385 Ca 0.01 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2wnh h ILE 385 Cb 0.66 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2wnh h ILE 385 CO 0.03 0.05 0.13 0.74 -0.69 0.00 0.00 178.15 178.41 2wnh h THR 386 N 0.29 1.11 -0.51 -0.27 2.02 -1.16 -1.69 112.91 112.69 2wnh h THR 386 Ca 0.24 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2wnh h THR 386 Cb 0.28 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2wnh h THR 386 CO -0.28 0.11 0.21 0.00 0.37 0.00 0.00 175.52 175.93 2wnh h ALA 387 N 1.01 0.67 0.00 6.16 0.00 -1.06 -2.88 119.26 123.16 2wnh h ALA 387 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2wnh h ALA 387 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wnh h ALA 387 CO -0.01 0.27 -0.23 -0.07 0.00 0.00 0.00 179.25 179.21 2wnh h LEU 388 N 0.69 0.00 -1.57 0.00 3.38 -0.83 -3.12 115.31 113.86 2wnh h LEU 388 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wnh h LEU 388 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wnh h LEU 388 CO -0.01 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.36 2wnh n GLY 389 N -0.19 0.67 0.35 0.83 0.00 -0.65 -4.15 105.19 102.05 2wnh n GLY 389 Ca -0.01 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.53 2wnh n GLY 389 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wnh h GLN 390 N 3.69 0.45 -0.11 1.61 4.20 -1.45 -2.20 115.11 121.31 2wnh h GLN 390 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2wnh h GLN 390 Cb 0.79 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2wnh h GLN 390 CO 0.00 0.30 0.00 0.54 -0.67 0.00 0.00 178.83 179.00 2wnh n ARG 391 N -4.47 2.12 -1.82 1.46 1.74 -1.26 -4.93 116.66 109.49 2wnh n ARG 391 Ca 0.10 -1.64 -0.42 0.00 -0.77 0.00 0.00 57.85 55.12 2wnh n ARG 391 Cb 0.35 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 2wnh n ARG 391 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wnh s ILE 392 N -1.88 2.21 -0.49 0.55 1.01 -0.83 -4.84 121.20 116.93 2wnh s ILE 392 Ca 0.33 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.95 2wnh s ILE 392 Cb 0.20 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.62 2wnh s ILE 392 CO 0.31 0.02 0.62 -0.62 0.00 0.00 0.00 174.94 175.28 2wnh s ASP 393 N 0.65 6.24 0.20 3.58 2.15 -1.26 -4.98 116.67 123.25 2wnh s ASP 393 Ca 0.65 -0.77 -0.11 0.00 0.43 0.00 0.00 52.55 52.75 2wnh s ASP 393 Cb -0.47 -2.29 0.18 0.00 -0.30 0.00 0.00 42.92 40.04 2wnh s ASP 393 CO 0.43 -0.86 1.81 0.03 -0.17 0.00 0.00 175.17 176.41 2wnh h ARG 394 N 8.96 0.64 -0.09 4.34 2.47 -1.93 -0.03 114.38 128.75 2wnh h ARG 394 Ca -0.27 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.44 2wnh h ARG 394 Cb 1.10 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2wnh h ARG 394 CO 0.94 0.43 0.12 -1.35 0.56 0.00 0.00 179.97 180.67 2wnh h PRO 395 N 0.66 0.00 -0.47 0.04 0.11 -1.95 0.15 132.00 130.54 2wnh h PRO 395 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2wnh h PRO 395 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2wnh h PRO 395 CO -0.15 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.07 2wnh n SER 396 N -3.67 2.57 -3.08 -2.05 7.64 -0.05 -4.53 113.62 110.45 2wnh n SER 396 Ca -0.01 -1.98 -0.25 0.00 1.01 0.00 0.00 58.87 57.64 2wnh n SER 396 Cb 0.22 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.90 3.85 -1.57 -0.43 0.00 0.04 -3.02 120.51 120.28 2wnh n ALA 397 Ca 0.16 -4.34 -0.34 0.00 0.00 0.00 0.00 53.44 48.92 2wnh n ALA 397 Cb 0.41 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.96 2.85 0.34 0.00 0.04 -1.26 -4.89 135.00 129.12 2wnh s PRO 398 Ca 0.45 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 2wnh s PRO 398 Cb 0.27 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 2wnh s PRO 398 CO -0.11 -1.24 1.38 0.00 0.04 0.00 0.00 177.00 177.08 2wnh s ALA 399 N -2.08 3.54 -0.08 8.56 0.00 -1.26 -4.91 121.76 125.53 2wnh s ALA 399 Ca 0.70 1.37 0.03 0.00 0.00 0.00 0.00 51.96 54.07 2wnh s ALA 399 Cb -0.23 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.36 2wnh s ALA 399 CO 0.38 -0.79 -0.17 0.08 0.00 0.00 0.00 175.76 175.25 2wnh s VAL 400 N -1.00 1.53 -0.12 0.00 1.01 -1.26 -5.09 120.40 115.47 2wnh s VAL 400 Ca 0.51 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2wnh s VAL 400 Cb -0.42 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2wnh s VAL 400 CO 0.55 0.44 1.73 0.00 0.00 0.00 0.00 175.10 177.82 2wnh s ALA 401 N 0.49 3.40 0.20 5.51 0.00 -1.26 -4.90 121.76 125.20 2wnh s ALA 401 Ca -0.16 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2wnh s ALA 401 Cb -0.16 -3.83 0.13 0.00 0.00 0.00 0.00 23.12 19.26 2wnh s ALA 401 CO 0.06 -1.75 1.62 1.98 0.00 0.00 0.00 175.76 177.66 2wnh h MET 402 N 10.61 0.88 -6.65 0.00 4.05 -1.99 -3.39 114.93 118.44 2wnh h MET 402 Ca -0.39 -0.34 -0.56 0.00 -0.28 0.00 0.00 59.70 58.13 2wnh h MET 402 Cb 1.18 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.87 2wnh h MET 402 CO 0.97 0.98 0.98 0.08 0.23 0.00 0.00 176.91 180.15 2wnh s VAL 403 N -4.70 4.09 0.16 -5.77 1.01 -1.26 -4.96 120.40 108.97 2wnh s VAL 403 Ca -0.10 1.09 -0.33 0.00 0.00 0.00 0.00 61.98 62.64 2wnh s VAL 403 Cb 0.13 -4.51 -0.13 0.00 0.00 0.00 0.00 36.38 31.88 2wnh s VAL 403 CO 0.85 -0.98 1.67 0.18 0.00 0.00 0.00 175.10 176.82 2wnh n LEU 404 N 8.23 3.53 -4.57 3.92 4.77 -1.26 -4.85 117.00 126.77 2wnh n LEU 404 Ca 0.13 1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 56.94 2wnh n LEU 404 Cb 0.49 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.02 2wnh n LEU 404 CO 0.72 -0.06 1.32 -2.16 -1.33 0.00 0.00 177.39 175.87 2wnh s PRO 405 N 1.39 2.15 0.00 3.23 0.04 -1.26 -5.11 135.00 135.44 2wnh s PRO 405 Ca 0.79 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2wnh s PRO 405 Cb -0.60 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 28.90 2wnh s PRO 405 CO 0.37 -4.05 0.00 0.36 0.04 0.00 0.00 177.00 173.71