#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n ARG 3 N 0.00 -0.78 0.00 1.61 -4.01 -1.26 -4.45 116.66 107.78 2wh3 n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wh3 n ARG 3 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2wh3 n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 2wh3 n TYR 4 N -0.60 0.00 0.00 2.89 9.36 -1.25 -4.92 117.16 122.64 2wh3 n TYR 4 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wh3 n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2wh3 n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2wh3 n ILE 5 N 0.00 -0.29 0.00 2.97 5.41 -1.26 -5.14 119.36 121.05 2wh3 n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wh3 n ILE 5 Cb 0.00 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 2wh3 n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wh3 n GLY 6 N 1.41 1.61 1.66 7.39 0.00 -1.26 -5.04 105.19 110.97 2wh3 n GLY 6 Ca 0.00 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 2wh3 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh3 n PRO 7 N 0.02 0.00 -0.05 1.61 -0.02 -1.26 -4.91 135.00 130.39 2wh3 n PRO 7 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 2wh3 n PRO 7 Cb 0.00 -0.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.76 2wh3 n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wh3 n VAL 8 N 1.43 0.51 0.43 -1.45 0.31 -1.26 -4.44 118.33 113.86 2wh3 n VAL 8 Ca 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2wh3 n VAL 8 Cb -0.01 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2wh3 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh3 h ARG 10 N 0.29 0.00 0.00 0.00 2.43 -1.94 -3.30 114.38 111.86 2wh3 h ARG 10 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wh3 h ARG 10 Cb 0.05 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wh3 h ARG 10 CO 0.00 0.98 -0.69 1.37 -1.51 0.00 0.00 179.97 180.12 2wh3 h LEU 11 N -1.00 0.00 -2.01 3.80 -0.00 -0.76 -3.07 115.31 112.27 2wh3 h LEU 11 Ca -0.24 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2wh3 h LEU 11 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.84 2wh3 h LEU 11 CO -0.15 0.03 0.31 0.00 -0.00 0.00 0.00 178.44 178.63 2wh3 n ARG 13 N -4.37 3.45 0.00 0.00 1.74 -1.16 -4.02 116.66 112.29 2wh3 n ARG 13 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2wh3 n ARG 13 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2wh3 n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wh3 n ARG 14 N 0.00 0.00 -0.33 5.56 3.00 -1.25 -3.09 116.66 120.55 2wh3 n ARG 14 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.85 58.14 2wh3 n ARG 14 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 32.46 32.91 2wh3 n ARG 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wh3 n GLU 15 N 0.00 0.01 0.00 -0.14 4.07 -1.25 -4.60 120.64 118.72 2wh3 n GLU 15 Ca 0.00 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 2wh3 n GLU 15 Cb 0.00 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 2wh3 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh3 n GLY 16 N -1.55 2.62 3.94 8.31 0.00 -1.18 -5.00 105.19 112.32 2wh3 n GLY 16 Ca 0.24 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2wh3 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 17 N -1.35 3.21 -0.17 1.61 1.01 -1.26 -5.03 120.40 118.43 2wh3 s VAL 17 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2wh3 s VAL 17 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2wh3 s VAL 17 CO 0.00 -0.23 0.25 -0.75 0.00 0.00 0.00 175.10 174.37 2wh3 s LYS 18 N -4.89 4.22 -0.28 2.72 2.20 -1.26 -4.55 119.74 117.90 2wh3 s LYS 18 Ca 0.55 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.18 2wh3 s LYS 18 Cb -0.10 -3.42 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2wh3 s LYS 18 CO 0.42 0.27 -0.06 -0.51 -0.36 0.00 0.00 175.35 175.11 2wh3 s LEU 19 N 0.39 3.73 0.00 5.43 1.02 -1.26 -4.99 118.68 123.01 2wh3 s LEU 19 Ca 0.14 -1.42 -0.04 0.00 0.02 0.00 0.00 54.13 52.83 2wh3 s LEU 19 Cb -0.12 -1.62 -0.18 0.00 0.02 0.00 0.00 46.19 44.29 2wh3 s LEU 19 CO 0.02 -0.23 2.75 -1.22 0.02 0.00 0.00 176.35 177.69 2wh3 n TYR 20 N 4.48 0.00 0.30 0.29 4.02 -1.26 -4.27 117.16 120.72 2wh3 n TYR 20 Ca -0.12 -1.12 0.18 0.00 -0.01 0.00 0.00 57.90 56.82 2wh3 n TYR 20 Cb 0.42 -1.21 0.75 0.00 -0.02 0.00 0.00 39.34 39.29 2wh3 n TYR 20 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2wh3 h LEU 21 N 4.89 0.00 0.00 7.72 3.38 -1.94 -0.70 115.31 128.66 2wh3 h LEU 21 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2wh3 h LEU 21 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wh3 h LEU 21 CO 0.24 0.00 -0.96 0.11 0.09 0.00 0.00 178.44 177.92 2wh3 h LYS 22 N 0.00 0.00 0.00 1.13 1.57 -1.96 -3.43 116.57 113.88 2wh3 h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wh3 h LYS 22 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wh3 h LYS 22 CO 0.00 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 2wh3 n GLY 23 N 1.27 2.03 0.00 3.86 0.00 -0.27 -4.42 105.19 107.65 2wh3 n GLY 23 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wh3 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wh3 n GLU 24 N 0.00 0.00 -0.46 1.61 0.00 -1.26 -3.64 120.64 116.89 2wh3 n GLU 24 Ca 0.00 0.12 0.41 0.00 0.00 0.00 0.00 57.16 57.69 2wh3 n GLU 24 Cb 0.00 -0.94 0.69 0.00 0.00 0.00 0.00 31.44 31.20 2wh3 n GLU 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2wh3 h ARG 25 N 0.00 0.00 -0.26 5.31 2.43 -1.93 0.65 114.38 120.57 2wh3 h ARG 25 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh3 h ARG 25 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wh3 h ARG 25 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2wh3 n TYR 27 N -0.15 0.00 -1.86 0.00 0.53 0.23 -4.72 117.16 111.18 2wh3 n TYR 27 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.46 2wh3 n TYR 27 Cb 0.07 0.04 -0.03 0.00 -1.03 0.00 0.00 39.34 38.39 2wh3 n TYR 27 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 2wh3 s SER 28 N -4.44 6.36 0.00 7.72 0.01 -1.00 -4.66 113.70 117.69 2wh3 s SER 28 Ca 0.00 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2wh3 s SER 28 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2wh3 s SER 28 CO 0.00 -1.18 0.12 -2.65 0.41 0.00 0.00 173.24 169.93 2wh3 n PRO 29 N 7.61 0.00 0.00 12.44 -0.02 -1.26 -3.68 135.00 150.09 2wh3 n PRO 29 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2wh3 n PRO 29 Cb 0.43 -0.35 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 2wh3 n PRO 29 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2wh3 n LYS 30 N 1.11 0.00 0.00 -0.52 2.85 -1.26 -4.85 118.16 115.48 2wh3 n LYS 30 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wh3 n LYS 30 Cb 0.06 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 2wh3 n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh3 n ALA 32 N 0.19 0.00 0.20 0.00 0.00 -1.26 -4.13 120.51 115.51 2wh3 n ALA 32 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wh3 n ALA 32 Cb 0.14 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.27 2wh3 n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2wh3 h MET 33 N 0.00 0.00 0.00 0.00 1.85 -1.83 0.53 114.93 115.48 2wh3 h MET 33 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2wh3 h MET 33 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2wh3 h MET 33 CO 0.00 0.00 -1.84 -1.91 -0.40 0.00 0.00 176.91 172.76 2wh3 n GLU 34 N -2.40 0.65 -0.10 0.39 4.07 -1.26 -4.33 120.64 117.66 2wh3 n GLU 34 Ca -0.02 -0.12 -0.10 0.00 -0.06 0.00 0.00 57.16 56.86 2wh3 n GLU 34 Cb 0.09 -1.58 -0.16 0.00 -0.06 0.00 0.00 31.44 29.73 2wh3 n GLU 34 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2wh3 n ARG 35 N -2.38 0.71 -3.77 5.31 1.74 0.11 -4.80 116.66 113.58 2wh3 n ARG 35 Ca -0.05 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.73 2wh3 n ARG 35 Cb 0.61 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 2wh3 n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh3 s ARG 36 N -2.49 0.83 -0.09 5.56 0.52 0.15 -5.02 118.95 118.40 2wh3 s ARG 36 Ca -0.10 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 2wh3 s ARG 36 Cb 0.06 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2wh3 s ARG 36 CO 0.83 -0.80 2.33 -0.35 0.02 0.00 0.00 175.30 177.33 2wh3 n PRO 37 N 4.90 1.42 -3.95 3.54 -0.04 -1.26 -4.29 135.00 135.31 2wh3 n PRO 37 Ca -0.06 -0.64 -0.09 0.00 -0.04 0.00 0.00 63.50 62.66 2wh3 n PRO 37 Cb 0.44 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 2wh3 n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wh3 s TYR 38 N -0.32 0.33 0.75 0.54 -0.85 -1.26 -5.04 117.35 111.51 2wh3 s TYR 38 Ca 0.21 -0.68 -0.13 0.00 -0.52 0.00 0.00 57.07 55.95 2wh3 s TYR 38 Cb 0.13 0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.62 2wh3 s TYR 38 CO -0.01 -0.87 1.14 -2.14 -1.52 0.00 0.00 175.55 172.15 2wh3 s PRO 39 N -3.98 2.16 0.00 -3.49 0.02 -1.26 -3.95 135.00 124.50 2wh3 s PRO 39 Ca 0.19 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.71 2wh3 s PRO 39 Cb 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2wh3 s PRO 39 CO 0.04 -1.77 0.00 -0.35 -0.33 0.00 0.00 177.00 174.59 2wh3 n PRO 40 N -3.06 2.36 -1.05 5.54 -0.04 -1.26 -4.09 135.00 133.40 2wh3 n PRO 40 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2wh3 n PRO 40 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 2wh3 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wh3 n GLY 41 N 1.26 -1.42 0.23 0.55 0.00 -1.26 -1.89 105.19 102.66 2wh3 n GLY 41 Ca 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.24 2wh3 n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wh3 h GLN 42 N 0.00 0.00 -0.06 1.61 4.15 -2.04 -3.13 115.11 115.64 2wh3 h GLN 42 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2wh3 h GLN 42 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2wh3 h GLN 42 CO 0.01 0.17 0.00 0.72 -1.93 0.00 0.00 178.83 177.80 2wh3 n HIS 43 N -3.30 0.05 -0.25 3.99 8.25 -1.26 -4.68 115.22 118.01 2wh3 n HIS 43 Ca 0.01 -0.03 0.20 0.00 -0.26 0.00 0.00 57.72 57.64 2wh3 n HIS 43 Cb 0.42 -0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.90 2wh3 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh3 n GLY 44 N 1.15 -0.72 2.72 -1.41 0.00 -0.79 -2.19 105.19 103.96 2wh3 n GLY 44 Ca 0.12 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.46 2wh3 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLN 45 N -4.81 3.24 -3.74 1.61 10.64 -1.26 -4.08 117.38 118.98 2wh3 n GLN 45 Ca 0.25 -4.61 -0.13 0.00 -1.83 0.00 0.00 57.00 50.68 2wh3 n GLN 45 Cb 0.84 -2.37 -0.11 0.00 -0.86 0.00 0.00 30.24 27.75 2wh3 n GLN 45 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2wh3 s LYS 46 N -2.46 0.41 -0.46 2.61 2.20 -0.93 -5.11 119.74 116.01 2wh3 s LYS 46 Ca 0.35 0.56 -0.45 0.00 -0.36 0.00 0.00 55.97 56.08 2wh3 s LYS 46 Cb 0.08 0.15 -0.19 0.00 -1.51 0.00 0.00 37.83 36.37 2wh3 s LYS 46 CO 0.02 -0.08 1.76 -2.13 -0.36 0.00 0.00 175.35 174.56 2wh3 n ARG 47 N 3.18 0.24 -2.97 4.03 0.63 -1.26 -4.94 116.66 115.58 2wh3 n ARG 47 Ca -0.15 0.09 -0.21 0.00 -0.92 0.00 0.00 57.85 56.66 2wh3 n ARG 47 Cb 0.57 -1.64 0.02 0.00 0.45 0.00 0.00 32.46 31.85 2wh3 n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh3 s ALA 48 N 3.88 4.03 0.15 5.13 0.00 -1.26 -5.12 121.76 128.57 2wh3 s ALA 48 Ca 1.07 -1.33 0.11 0.00 0.00 0.00 0.00 51.96 51.81 2wh3 s ALA 48 Cb -1.40 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2wh3 s ALA 48 CO 0.75 -0.42 -0.24 1.03 0.00 0.00 0.00 175.76 176.88 2wh3 s ARG 49 N -4.51 1.39 -0.29 0.00 1.81 -1.26 -5.05 118.95 111.03 2wh3 s ARG 49 Ca 0.52 -1.40 -0.26 0.00 -1.72 0.00 0.00 55.73 52.87 2wh3 s ARG 49 Cb -0.10 -1.75 -0.11 0.00 -0.45 0.00 0.00 34.95 32.54 2wh3 s ARG 49 CO 0.36 0.39 1.23 -2.13 -0.68 0.00 0.00 175.30 174.48 2wh3 n ARG 50 N 0.61 0.00 -1.84 3.54 0.00 -1.26 -4.80 116.66 112.91 2wh3 n ARG 50 Ca -0.16 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.28 2wh3 n ARG 50 Cb 0.55 -0.88 -0.02 0.00 0.00 0.00 0.00 32.46 32.11 2wh3 n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2wh3 s PRO 51 N 3.41 4.17 0.57 -0.14 0.02 -1.26 -4.95 135.00 136.82 2wh3 s PRO 51 Ca 0.70 2.49 -0.20 0.00 0.02 0.00 0.00 61.00 64.01 2wh3 s PRO 51 Cb -0.88 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.52 2wh3 s PRO 51 CO 0.39 -0.61 1.09 -1.13 -0.33 0.00 0.00 177.00 176.42 2wh3 n SER 52 N 2.81 1.38 -0.50 2.53 3.41 -1.26 -4.63 113.62 117.36 2wh3 n SER 52 Ca 0.10 0.88 0.41 0.00 -0.26 0.00 0.00 58.87 59.99 2wh3 n SER 52 Cb 0.38 -1.44 0.70 0.00 -0.26 0.00 0.00 64.21 63.59 2wh3 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wh3 h ASP 53 N 0.84 0.16 0.21 4.04 5.19 -2.01 0.16 116.42 125.00 2wh3 h ASP 53 Ca -0.49 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2wh3 h ASP 53 Cb 1.34 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.93 2wh3 h ASP 53 CO 0.53 -0.10 -0.10 0.22 -3.12 0.00 0.00 179.24 176.67 2wh3 h TYR 54 N 0.06 -0.26 -0.63 4.55 3.20 -2.00 -3.11 116.97 118.79 2wh3 h TYR 54 Ca 0.81 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.78 2wh3 h TYR 54 Cb 2.82 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 41.07 2wh3 h TYR 54 CO -0.00 -0.16 -0.21 0.00 -1.64 0.00 0.00 178.16 176.14 2wh3 n ALA 55 N -2.35 -0.00 -0.10 1.82 0.00 0.47 0.12 120.51 120.47 2wh3 n ALA 55 Ca -0.03 0.64 -0.07 0.00 0.00 0.00 0.00 53.44 53.98 2wh3 n ALA 55 Cb 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 19.45 19.25 2wh3 n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh3 h VAL 56 N 0.00 0.97 0.00 0.00 2.07 -1.45 0.18 116.25 118.02 2wh3 h VAL 56 Ca 0.24 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 2wh3 h VAL 56 Cb 0.40 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2wh3 h VAL 56 CO -0.63 0.06 -0.16 0.03 0.02 0.00 0.00 177.57 176.89 2wh3 h ARG 57 N 0.34 0.00 0.00 1.57 3.08 0.97 -2.24 114.38 118.10 2wh3 h ARG 57 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2wh3 h ARG 57 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2wh3 h ARG 57 CO -0.11 0.16 -0.00 1.25 -1.07 0.00 0.00 179.97 180.20 2wh3 h LEU 58 N 0.00 -0.00 -0.34 3.04 7.12 -0.51 -2.92 115.31 121.69 2wh3 h LEU 58 Ca -0.00 -0.80 0.04 0.00 0.13 0.00 0.00 57.88 57.25 2wh3 h LEU 58 Cb 0.39 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 2wh3 h LEU 58 CO 0.02 0.89 -0.39 0.03 -0.13 0.00 0.00 178.44 178.86 2wh3 h ARG 59 N -0.99 -0.23 -0.62 1.25 2.47 -0.51 -0.02 114.38 115.73 2wh3 h ARG 59 Ca -0.00 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.86 2wh3 h ARG 59 Cb 0.80 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 29.06 2wh3 h ARG 59 CO 0.00 -0.15 -0.03 1.49 0.56 0.00 0.00 179.97 181.84 2wh3 h GLU 60 N -0.23 0.08 -0.77 0.04 4.57 -1.55 0.10 114.58 116.81 2wh3 h GLU 60 Ca 0.06 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 2wh3 h GLU 60 Cb 0.39 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 2wh3 h GLU 60 CO -0.45 0.06 0.44 -0.22 -1.18 0.00 0.00 179.01 177.66 2wh3 h LYS 61 N 0.09 0.74 -0.63 1.92 3.11 -0.99 -1.89 116.57 118.92 2wh3 h LYS 61 Ca 0.32 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 58.05 2wh3 h LYS 61 Cb 0.52 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 2wh3 h LYS 61 CO -0.56 0.49 0.13 1.96 -2.81 0.00 0.00 179.45 178.66 2wh3 h GLN 62 N 0.77 1.03 -0.09 1.90 1.08 0.76 -2.19 115.11 118.37 2wh3 h GLN 62 Ca 0.36 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2wh3 h GLN 62 Cb 0.29 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2wh3 h GLN 62 CO -0.22 0.94 -0.28 -0.22 -0.95 0.00 0.00 178.83 178.10 2wh3 h LYS 63 N 0.95 -0.28 -0.90 1.46 3.64 -0.38 0.90 116.57 121.96 2wh3 h LYS 63 Ca 0.20 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.74 2wh3 h LYS 63 Cb 0.39 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 2wh3 h LYS 63 CO 0.01 -0.19 0.58 1.25 -2.27 0.00 0.00 179.45 178.83 2wh3 h LEU 64 N -0.29 0.67 -0.12 5.20 5.85 -1.45 -1.75 115.31 123.42 2wh3 h LEU 64 Ca 0.02 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 2wh3 h LEU 64 Cb 0.35 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2wh3 h LEU 64 CO -0.23 0.33 -0.27 -0.09 -0.34 0.00 0.00 178.44 177.84 2wh3 h ARG 65 N 0.70 0.39 0.00 1.25 2.43 -0.62 -3.24 114.38 115.30 2wh3 h ARG 65 Ca 0.46 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2wh3 h ARG 65 Cb 0.73 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2wh3 h ARG 65 CO -0.22 0.87 -0.16 0.00 -1.51 0.00 0.00 179.97 178.95 2wh3 h ARG 66 N -0.03 0.00 -0.01 0.20 3.08 0.14 -2.60 114.38 115.16 2wh3 h ARG 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh3 h ARG 66 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2wh3 h ARG 66 CO 0.06 0.16 0.19 0.82 -1.07 0.00 0.00 179.97 180.13 2wh3 h ILE 67 N 0.00 0.02 -0.00 2.04 2.04 -1.36 0.28 117.51 120.52 2wh3 h ILE 67 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2wh3 h ILE 67 Cb 0.32 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2wh3 h ILE 67 CO 0.02 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.95 2wh3 n TYR 68 N -3.00 0.00 -3.09 1.37 4.02 -1.00 -4.97 117.16 110.48 2wh3 n TYR 68 Ca -0.02 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.90 57.69 2wh3 n TYR 68 Cb 0.25 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 2wh3 n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh3 n GLY 69 N -0.01 -0.48 3.92 2.72 0.00 0.08 -4.91 105.19 106.51 2wh3 n GLY 69 Ca 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2wh3 n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wh3 s ILE 70 N -2.65 4.98 0.25 -0.61 2.07 -1.24 -3.93 121.20 120.08 2wh3 s ILE 70 Ca 0.27 -0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.18 2wh3 s ILE 70 Cb -0.15 -3.85 -0.09 0.00 0.13 0.00 0.00 42.46 38.51 2wh3 s ILE 70 CO 0.33 -0.69 1.06 -0.94 -1.91 0.00 0.00 174.94 172.79 2wh3 s SER 71 N -3.96 7.36 0.30 4.50 1.04 -1.26 -4.86 113.70 116.81 2wh3 s SER 71 Ca 0.45 2.16 0.05 0.00 0.48 0.00 0.00 55.95 59.08 2wh3 s SER 71 Cb -0.10 -2.62 0.72 0.00 0.10 0.00 0.00 66.02 64.12 2wh3 s SER 71 CO 0.40 -0.09 1.78 -0.08 0.98 0.00 0.00 173.24 176.23 2wh3 h GLU 72 N 4.18 0.74 -0.60 4.02 4.57 -1.97 0.93 114.58 126.45 2wh3 h GLU 72 Ca -0.46 -0.04 0.12 0.00 -1.18 0.00 0.00 59.36 57.80 2wh3 h GLU 72 Cb 1.21 -0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.53 2wh3 h GLU 72 CO 0.68 0.49 0.02 -0.09 -1.18 0.00 0.00 179.01 178.93 2wh3 h ARG 73 N 0.76 0.13 0.21 1.92 9.65 -1.99 0.95 114.38 126.02 2wh3 h ARG 73 Ca 0.57 -0.01 -0.31 0.00 -1.10 0.00 0.00 59.98 59.13 2wh3 h ARG 73 Cb 0.87 -0.03 0.03 0.00 -1.39 0.00 0.00 29.97 29.45 2wh3 h ARG 73 CO -0.38 0.09 -1.44 1.96 2.80 0.00 0.00 179.97 183.00 2wh3 h GLN 74 N 0.13 0.44 0.00 0.20 4.20 -1.61 -1.92 115.11 116.55 2wh3 h GLN 74 Ca 0.31 -0.76 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2wh3 h GLN 74 Cb 0.50 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2wh3 h GLN 74 CO -0.50 1.36 0.12 0.35 -0.67 0.00 0.00 178.83 179.50 2wh3 h PHE 75 N 0.01 0.00 0.00 2.96 3.57 -0.53 0.26 116.94 123.21 2wh3 h PHE 75 Ca -0.27 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.89 2wh3 h PHE 75 Cb 2.03 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.72 2wh3 h PHE 75 CO 0.13 0.00 -1.91 -2.13 -2.23 0.00 0.00 178.31 172.18 2wh3 n ARG 76 N -2.49 0.58 -0.28 1.11 3.00 0.30 -3.46 116.66 115.41 2wh3 n ARG 76 Ca -0.02 0.42 0.06 0.00 -0.00 0.00 0.00 57.85 58.31 2wh3 n ARG 76 Cb 0.16 -1.62 0.28 0.00 0.00 0.00 0.00 32.46 31.29 2wh3 n ARG 76 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2wh3 h ASN 77 N -1.00 0.82 -0.19 6.15 2.35 -0.39 0.16 115.58 123.48 2wh3 h ASN 77 Ca -0.53 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.18 2wh3 h ASN 77 Cb 1.45 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 2wh3 h ASN 77 CO -0.32 0.50 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.79 2wh3 h LEU 78 N 0.92 0.43 -0.22 1.61 3.38 -0.74 -1.30 115.31 119.39 2wh3 h LEU 78 Ca 0.40 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2wh3 h LEU 78 Cb 0.33 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2wh3 h LEU 78 CO -0.16 0.76 -0.10 0.15 0.09 0.00 0.00 178.44 179.18 2wh3 h PHE 79 N 0.10 -0.24 -0.55 1.13 3.57 -1.18 0.30 116.94 120.07 2wh3 h PHE 79 Ca 0.04 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2wh3 h PHE 79 Cb 0.60 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2wh3 h PHE 79 CO 0.07 -0.16 0.32 0.93 -2.23 0.00 0.00 178.31 177.24 2wh3 h GLU 80 N -0.07 0.60 0.05 1.11 4.39 -0.70 -0.96 114.58 119.01 2wh3 h GLU 80 Ca 0.12 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.80 2wh3 h GLU 80 Cb 0.25 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2wh3 h GLU 80 CO -0.27 0.40 -0.18 1.49 -1.16 0.00 0.00 179.01 179.29 2wh3 h GLU 81 N 0.62 -0.31 -0.17 2.33 4.81 -0.37 -2.90 114.58 118.60 2wh3 h GLU 81 Ca 0.23 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2wh3 h GLU 81 Cb 0.06 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 2wh3 h GLU 81 CO -0.12 -0.21 -0.51 0.00 -0.73 0.00 0.00 179.01 177.44 2wh3 h ALA 82 N 0.55 -0.79 -0.03 2.92 0.00 0.14 -3.06 119.26 118.98 2wh3 h ALA 82 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wh3 h ALA 82 Cb 0.37 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2wh3 h ALA 82 CO -0.13 -1.04 -0.04 0.77 0.00 0.00 0.00 179.25 178.80 2wh3 h SER 83 N -0.54 -0.15 0.00 0.00 0.02 -1.02 -0.98 113.55 110.89 2wh3 h SER 83 Ca 0.05 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2wh3 h SER 83 Cb 0.66 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2wh3 h SER 83 CO -0.45 -0.03 0.00 0.29 -1.14 0.00 0.00 176.83 175.50 2wh3 n LYS 84 N -2.91 0.00 -2.51 3.45 4.76 -1.11 -4.69 118.16 115.15 2wh3 n LYS 84 Ca -0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 2wh3 n LYS 84 Cb 0.03 -1.19 0.05 0.00 -1.84 0.00 0.00 35.03 32.08 2wh3 n LYS 84 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2wh3 s LYS 85 N -1.83 2.41 -0.44 1.97 2.36 -0.37 -5.04 119.74 118.80 2wh3 s LYS 85 Ca 0.00 -0.65 -0.27 0.00 -2.55 0.00 0.00 55.97 52.49 2wh3 s LYS 85 Cb 0.00 -2.39 0.03 0.00 -1.05 0.00 0.00 37.83 34.41 2wh3 s LYS 85 CO 0.00 -0.89 1.02 0.15 1.55 0.00 0.00 175.35 177.18 2wh3 s LYS 86 N -4.91 3.70 0.00 4.03 -0.14 -1.26 -4.87 119.74 116.28 2wh3 s LYS 86 Ca 0.58 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.65 2wh3 s LYS 86 Cb -0.10 -3.88 0.00 0.00 -1.68 0.00 0.00 37.83 32.16 2wh3 s LYS 86 CO 0.40 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.19 2wh3 n GLY 87 N 4.73 1.61 3.55 -3.33 0.00 -1.26 -4.98 105.19 105.51 2wh3 n GLY 87 Ca 0.09 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 2wh3 n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh3 n VAL 88 N -1.33 -0.05 -0.14 1.61 0.31 -1.26 -4.83 118.33 112.65 2wh3 n VAL 88 Ca 0.00 -0.77 -0.07 0.00 -0.01 0.00 0.00 64.34 63.48 2wh3 n VAL 88 Cb 0.00 -2.79 -0.01 0.00 -0.91 0.00 0.00 33.84 30.13 2wh3 n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2wh3 h THR 89 N 7.66 0.20 -0.58 2.52 2.02 -1.86 -2.54 112.91 120.33 2wh3 h THR 89 Ca -0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.98 2wh3 h THR 89 Cb 1.27 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 2wh3 h THR 89 CO 1.14 0.00 -0.34 0.61 0.37 0.00 0.00 175.52 177.30 2wh3 n GLY 90 N -1.42 -2.51 0.44 2.16 0.00 -1.26 -1.75 105.19 100.84 2wh3 n GLY 90 Ca 0.02 0.88 -0.18 0.00 0.00 0.00 0.00 46.02 46.74 2wh3 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wh3 h SER 91 N 0.00 -0.92 -1.50 1.61 0.02 -1.93 -3.11 113.55 107.72 2wh3 h SER 91 Ca 0.09 0.02 0.50 0.00 -0.84 0.00 0.00 61.79 61.56 2wh3 h SER 91 Cb 0.24 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 62.89 2wh3 h SER 91 CO -0.54 -0.59 0.99 0.58 -1.14 0.00 0.00 176.83 176.13 2wh3 h VAL 92 N -1.21 0.01 0.68 2.27 2.07 -1.11 1.50 116.25 120.45 2wh3 h VAL 92 Ca -0.11 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2wh3 h VAL 92 Cb 0.84 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2wh3 h VAL 92 CO 0.18 0.00 -0.50 0.15 0.02 0.00 0.00 177.57 177.42 2wh3 h PHE 93 N 0.01 -1.36 -0.77 1.57 -0.00 -1.27 0.25 116.94 115.37 2wh3 h PHE 93 Ca 0.90 -0.00 0.22 0.00 -0.00 0.00 0.00 57.97 59.08 2wh3 h PHE 93 Cb 3.02 0.50 -0.03 0.00 -0.00 0.00 0.00 35.95 39.44 2wh3 h PHE 93 CO -0.00 -0.71 0.71 -0.07 -0.00 0.00 0.00 178.31 178.23 2wh3 h LEU 94 N -1.13 0.00 0.32 0.59 3.38 0.20 0.26 115.31 118.92 2wh3 h LEU 94 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2wh3 h LEU 94 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2wh3 h LEU 94 CO 0.04 0.00 -0.15 1.23 0.09 0.00 0.00 178.44 179.64 2wh3 h GLY 95 N 0.00 -0.45 2.00 0.83 0.00 0.10 -2.55 103.07 103.01 2wh3 h GLY 95 Ca 0.36 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 2wh3 h GLY 95 CO -0.00 -0.16 -0.01 1.41 0.00 0.00 0.00 176.54 177.77 2wh3 h LEU 96 N -0.81 0.00 -0.38 3.11 4.07 0.52 -1.22 115.31 120.60 2wh3 h LEU 96 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2wh3 h LEU 96 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2wh3 h LEU 96 CO 0.07 0.01 0.00 -0.11 -1.08 0.00 0.00 178.44 177.33 2wh3 n LEU 97 N -3.10 0.55 -0.09 1.67 0.00 0.73 -3.42 117.00 113.33 2wh3 n LEU 97 Ca 0.02 0.61 -0.13 0.00 0.00 0.00 0.00 56.01 56.51 2wh3 n LEU 97 Cb 0.39 -0.50 -0.08 0.00 0.00 0.00 0.00 43.42 43.23 2wh3 n LEU 97 CO 0.30 -0.39 -1.09 1.21 0.00 0.00 0.00 177.39 177.43 2wh3 n GLU 98 N -2.07 0.45 0.00 1.96 4.07 -0.70 -4.51 120.64 119.83 2wh3 n GLU 98 Ca 0.03 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2wh3 n GLU 98 Cb 0.27 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 2wh3 n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2wh3 n SER 99 N -3.04 0.06 -4.67 4.31 7.64 -0.54 -4.22 113.62 113.15 2wh3 n SER 99 Ca -0.32 -0.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 2wh3 n SER 99 Cb 0.84 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 2wh3 n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wh3 s ARG 100 N -1.76 4.29 0.18 1.43 0.52 -1.25 -0.14 118.95 122.21 2wh3 s ARG 100 Ca 0.00 1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 56.44 2wh3 s ARG 100 Cb 0.00 -3.65 0.07 0.00 0.52 0.00 0.00 34.95 31.89 2wh3 s ARG 100 CO 0.00 -0.58 1.56 1.25 0.02 0.00 0.00 175.30 177.55 2wh3 h LEU 101 N 9.18 -1.58 -1.98 2.53 5.85 -0.85 0.80 115.31 129.27 2wh3 h LEU 101 Ca -0.24 0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2wh3 h LEU 101 Cb 1.09 0.74 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 2wh3 h LEU 101 CO 0.95 -0.31 0.46 -2.24 -0.34 0.00 0.00 178.44 176.97 2wh3 h ASP 102 N -0.13 0.00 0.20 1.25 2.03 -1.82 -0.76 116.42 117.18 2wh3 h ASP 102 Ca 0.22 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.20 2wh3 h ASP 102 Cb 0.55 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.07 2wh3 h ASP 102 CO -0.81 0.00 -1.54 -1.13 -1.03 0.00 0.00 179.24 174.74 2wh3 h ASN 103 N 0.00 0.66 0.12 4.15 -1.24 0.23 -3.35 115.58 116.15 2wh3 h ASN 103 Ca 0.23 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.32 2wh3 h ASN 103 Cb 1.15 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2wh3 h ASN 103 CO -0.00 1.71 -0.10 0.58 -1.29 0.00 0.00 177.43 178.33 2wh3 h VAL 104 N 0.03 0.78 0.00 2.57 2.07 0.42 -1.48 116.25 120.64 2wh3 h VAL 104 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2wh3 h VAL 104 Cb 2.04 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2wh3 h VAL 104 CO 0.19 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.30 2wh3 n VAL 105 N -5.21 0.00 -0.07 2.57 0.31 -0.56 -0.42 118.33 114.95 2wh3 n VAL 105 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.13 2wh3 n VAL 105 Cb 0.14 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.16 2wh3 n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh3 n TYR 106 N -0.78 0.00 0.28 3.52 9.36 -0.60 -2.29 117.16 126.65 2wh3 n TYR 106 Ca 0.00 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.37 2wh3 n TYR 106 Cb 0.00 -0.50 0.80 0.00 -0.63 0.00 0.00 39.34 39.01 2wh3 n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wh3 h ARG 107 N -0.24 0.00 -1.03 2.98 2.47 -0.23 -1.41 114.38 116.92 2wh3 h ARG 107 Ca -0.32 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 57.89 2wh3 h ARG 107 Cb 1.39 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.43 2wh3 h ARG 107 CO -0.13 0.08 0.65 1.28 0.56 0.00 0.00 179.97 182.42 2wh3 n LEU 108 N -3.53 6.71 0.00 3.04 4.32 -0.06 -4.45 117.00 123.03 2wh3 n LEU 108 Ca -0.02 -3.61 0.00 0.00 -0.02 0.00 0.00 56.01 52.36 2wh3 n LEU 108 Cb 0.21 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 2wh3 n LEU 108 CO 0.28 1.13 0.00 0.61 -1.22 0.00 0.00 177.39 178.19 2wh3 n GLY 109 N -0.89 0.00 0.34 -0.72 0.00 -0.53 -4.65 105.19 98.73 2wh3 n GLY 109 Ca 0.55 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.71 2wh3 n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wh3 h PHE 110 N 0.00 -0.01 -3.97 1.61 -1.00 -1.81 -3.39 116.94 108.38 2wh3 h PHE 110 Ca 0.00 0.07 -0.69 0.00 2.81 0.00 0.00 57.97 60.16 2wh3 h PHE 110 Cb 0.00 0.16 -0.22 0.00 3.61 0.00 0.00 35.95 39.50 2wh3 h PHE 110 CO 0.00 -0.42 -0.81 0.00 -1.61 0.00 0.00 178.31 175.48 2wh3 s ALA 111 N -5.99 2.59 0.22 2.45 0.00 -0.97 -4.70 121.76 115.37 2wh3 s ALA 111 Ca -0.13 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.64 2wh3 s ALA 111 Cb 0.29 -0.74 0.22 0.00 0.00 0.00 0.00 23.12 22.89 2wh3 s ALA 111 CO 0.78 0.57 1.56 -0.24 0.00 0.00 0.00 175.76 178.43 2wh3 h VAL 112 N 3.95 1.33 -3.90 0.00 3.04 -1.90 -3.43 116.25 115.34 2wh3 h VAL 112 Ca -0.48 -1.77 -0.28 0.00 -1.01 0.00 0.00 66.70 63.16 2wh3 h VAL 112 Cb 1.16 1.79 -0.25 0.00 -2.01 0.00 0.00 31.29 31.97 2wh3 h VAL 112 CO 0.48 0.54 -0.74 -0.44 -1.01 0.00 0.00 177.57 176.40 2wh3 s SER 113 N -6.90 0.54 0.35 3.17 0.01 -1.26 -4.59 113.70 105.01 2wh3 s SER 113 Ca -0.06 -0.26 0.14 0.00 1.31 0.00 0.00 55.95 57.08 2wh3 s SER 113 Cb 0.12 -0.01 1.03 0.00 0.21 0.00 0.00 66.02 67.38 2wh3 s SER 113 CO 0.82 -0.07 1.70 0.03 0.41 0.00 0.00 173.24 176.13 2wh3 h ARG 114 N 5.43 0.41 -0.04 12.44 3.08 -1.87 0.76 114.38 134.59 2wh3 h ARG 114 Ca -0.30 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.76 2wh3 h ARG 114 Cb 1.20 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 2wh3 h ARG 114 CO 0.46 0.27 -0.26 0.00 -1.07 0.00 0.00 179.97 179.37 2wh3 h ARG 115 N 0.42 -0.37 -0.64 0.04 2.47 -1.93 -1.85 114.38 112.53 2wh3 h ARG 115 Ca 0.69 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.44 2wh3 h ARG 115 Cb 1.53 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.90 2wh3 h ARG 115 CO -0.51 -0.24 0.41 0.37 0.56 0.00 0.00 179.97 180.56 2wh3 h GLN 116 N -0.38 0.85 -0.65 0.04 4.15 0.02 -2.89 115.11 116.25 2wh3 h GLN 116 Ca 0.07 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.57 2wh3 h GLN 116 Cb 0.48 -0.19 -0.11 0.00 0.21 0.00 0.00 27.48 27.87 2wh3 h GLN 116 CO -0.26 0.58 -0.02 0.00 -1.93 0.00 0.00 178.83 177.20 2wh3 h ALA 117 N 1.22 0.62 0.08 3.38 0.00 0.04 -0.93 119.26 123.67 2wh3 h ALA 117 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wh3 h ALA 117 Cb -0.08 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wh3 h ALA 117 CO -0.05 -0.40 -0.19 -0.09 0.00 0.00 0.00 179.25 178.52 2wh3 h ARG 118 N 0.10 -0.29 -0.91 0.00 2.43 -1.15 0.23 114.38 114.80 2wh3 h ARG 118 Ca 0.34 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.78 2wh3 h ARG 118 Cb 0.56 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.02 2wh3 h ARG 118 CO -0.57 -0.19 0.15 0.37 -1.51 0.00 0.00 179.97 178.21 2wh3 h GLN 119 N -0.30 0.11 -0.79 0.20 4.15 -1.43 1.26 115.11 118.30 2wh3 h GLN 119 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2wh3 h GLN 119 Cb 0.29 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2wh3 h GLN 119 CO -0.09 0.07 0.41 -0.07 -1.93 0.00 0.00 178.83 177.22 2wh3 h LEU 120 N 0.11 1.00 -0.28 -2.39 3.38 -0.44 -0.31 115.31 116.39 2wh3 h LEU 120 Ca 0.57 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.32 2wh3 h LEU 120 Cb 1.17 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wh3 h LEU 120 CO -0.76 0.83 -0.30 0.58 0.09 0.00 0.00 178.44 178.87 2wh3 h VAL 121 N 1.12 1.30 0.00 1.22 2.07 0.47 -2.88 116.25 119.55 2wh3 h VAL 121 Ca 0.28 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2wh3 h VAL 121 Cb 0.07 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2wh3 h VAL 121 CO -0.04 0.47 0.00 -1.14 0.02 0.00 0.00 177.57 176.88 2wh3 n ARG 122 N -4.25 0.01 -0.72 1.57 0.00 0.14 -3.16 116.66 110.25 2wh3 n ARG 122 Ca -0.04 0.25 -0.01 0.00 -0.00 0.00 0.00 57.85 58.04 2wh3 n ARG 122 Cb 0.48 -1.51 0.23 0.00 0.00 0.00 0.00 32.46 31.65 2wh3 n ARG 122 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2wh3 n HIS 123 N -1.52 1.26 0.00 -0.14 8.25 -0.17 -4.92 115.22 117.98 2wh3 n HIS 123 Ca 0.04 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 2wh3 n HIS 123 Cb 0.18 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2wh3 n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh3 n GLY 124 N -0.86 1.66 0.00 -1.41 0.00 -1.19 -4.77 105.19 98.62 2wh3 n GLY 124 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2wh3 n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wh3 n HIS 125 N -1.86 0.00 -4.31 1.61 8.25 -1.10 -4.50 115.22 113.30 2wh3 n HIS 125 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2wh3 n HIS 125 Cb 0.00 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 2wh3 n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wh3 s ILE 126 N -2.34 1.28 0.04 1.59 -1.09 -1.23 -3.14 121.20 116.30 2wh3 s ILE 126 Ca 0.00 -2.09 -0.27 0.00 -2.23 0.00 0.00 60.65 56.06 2wh3 s ILE 126 Cb 0.00 -2.12 0.08 0.00 -1.58 0.00 0.00 42.46 38.84 2wh3 s ILE 126 CO 0.00 -0.53 0.68 0.28 -1.23 0.00 0.00 174.94 174.14 2wh3 s THR 127 N -3.26 0.00 0.58 2.92 -1.32 -0.34 -3.08 115.64 111.14 2wh3 s THR 127 Ca 0.23 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.80 2wh3 s THR 127 Cb 0.03 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2wh3 s THR 127 CO 0.06 0.00 0.71 0.52 -2.21 0.00 0.00 174.62 173.69 2wh3 n VAL 128 N 0.23 0.00 -1.56 5.08 0.31 -1.19 -1.72 118.33 119.48 2wh3 n VAL 128 Ca -0.17 -2.03 -0.14 0.00 -0.01 0.00 0.00 64.34 62.00 2wh3 n VAL 128 Cb 0.61 -0.38 -0.11 0.00 -0.91 0.00 0.00 33.84 33.05 2wh3 n VAL 128 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2wh3 n ASN 129 N -2.19 1.32 0.00 4.52 6.94 -0.37 -4.35 115.26 121.14 2wh3 n ASN 129 Ca 0.12 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 2wh3 n ASN 129 Cb 0.62 -1.70 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 2wh3 n ASN 129 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wh3 n GLY 130 N 6.22 0.28 3.49 4.83 0.00 -1.26 -4.97 105.19 113.78 2wh3 n GLY 130 Ca 0.41 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 2wh3 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh3 n ARG 131 N 0.00 0.67 -1.50 1.61 3.00 -1.26 -4.96 116.66 114.22 2wh3 n ARG 131 Ca 0.00 0.25 -0.30 0.00 -0.01 0.00 0.00 57.85 57.79 2wh3 n ARG 131 Cb 0.00 -1.71 0.11 0.00 0.00 0.00 0.00 32.46 30.86 2wh3 n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wh3 s ARG 132 N -1.94 1.78 -0.06 5.56 1.04 -1.26 -3.16 118.95 120.91 2wh3 s ARG 132 Ca 0.66 0.59 -0.03 0.00 -1.04 0.00 0.00 55.73 55.92 2wh3 s ARG 132 Cb -0.51 -1.89 0.03 0.00 -2.04 0.00 0.00 34.95 30.55 2wh3 s ARG 132 CO 0.56 -1.82 0.13 0.08 -0.04 0.00 0.00 175.30 174.20 2wh3 s VAL 133 N -3.15 -0.04 -0.09 4.99 1.01 -1.18 -4.82 120.40 117.12 2wh3 s VAL 133 Ca 0.62 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.86 2wh3 s VAL 133 Cb -0.15 -0.21 -0.17 0.00 0.00 0.00 0.00 36.38 35.85 2wh3 s VAL 133 CO 0.54 0.06 0.28 -0.90 0.00 0.00 0.00 175.10 175.09 2wh3 n ASP 134 N 3.97 2.13 -4.55 3.32 3.85 -1.23 -4.63 116.55 119.40 2wh3 n ASP 134 Ca -0.24 -0.11 -0.38 0.00 -0.71 0.00 0.00 54.79 53.35 2wh3 n ASP 134 Cb 0.53 1.45 -0.03 0.00 -1.35 0.00 0.00 41.12 41.72 2wh3 n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2wh3 s LEU 135 N -3.61 3.33 0.26 -2.12 2.01 -1.26 -3.47 118.68 113.81 2wh3 s LEU 135 Ca -0.03 0.55 -0.02 0.00 0.01 0.00 0.00 54.13 54.64 2wh3 s LEU 135 Cb 0.07 -2.60 0.54 0.00 0.01 0.00 0.00 46.19 44.22 2wh3 s LEU 135 CO 0.47 -2.43 1.72 -0.65 1.01 0.00 0.00 176.35 176.47 2wh3 h PRO 136 N 15.72 0.42 -0.51 1.29 0.11 -1.91 0.72 132.00 147.84 2wh3 h PRO 136 Ca -0.26 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.97 2wh3 h PRO 136 Cb 1.18 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2wh3 h PRO 136 CO 1.19 0.28 0.51 0.66 -0.21 0.00 0.00 178.00 180.43 2wh3 h SER 137 N 0.43 0.00 -0.77 -2.05 4.64 -1.96 -2.81 113.55 111.03 2wh3 h SER 137 Ca 0.46 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.99 2wh3 h SER 137 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2wh3 h SER 137 CO -0.45 0.00 1.05 0.00 -0.87 0.00 0.00 176.83 176.56 2wh3 n TYR 138 N -3.79 1.59 -3.08 4.77 -0.00 0.24 -4.60 117.16 112.30 2wh3 n TYR 138 Ca 0.10 0.78 -0.40 0.00 -0.00 0.00 0.00 57.90 58.38 2wh3 n TYR 138 Cb 0.71 -2.34 -0.05 0.00 -0.00 0.00 0.00 39.34 37.66 2wh3 n TYR 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2wh3 s ARG 139 N 4.59 4.24 0.29 2.98 0.52 -1.26 -1.08 118.95 129.24 2wh3 s ARG 139 Ca 1.10 0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 56.72 2wh3 s ARG 139 Cb -1.33 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 30.48 2wh3 s ARG 139 CO 0.69 -0.24 1.03 0.08 0.02 0.00 0.00 175.30 176.89 2wh3 s VAL 140 N 1.89 3.75 -0.08 3.52 1.01 0.80 -4.99 120.40 126.29 2wh3 s VAL 140 Ca 0.31 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.96 2wh3 s VAL 140 Cb -0.16 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2wh3 s VAL 140 CO 0.11 0.32 -0.15 -0.13 0.00 0.00 0.00 175.10 175.24 2wh3 s ARG 141 N -1.61 2.89 -0.40 2.72 0.52 -1.26 -4.91 118.95 116.89 2wh3 s ARG 141 Ca 0.46 -0.72 -0.45 0.00 -0.52 0.00 0.00 55.73 54.51 2wh3 s ARG 141 Cb -0.27 -2.45 -0.19 0.00 0.52 0.00 0.00 34.95 32.55 2wh3 s ARG 141 CO 0.35 0.41 1.61 -2.30 0.02 0.00 0.00 175.30 175.39 2wh3 n PRO 142 N 2.92 0.33 0.00 3.54 -0.02 -1.26 -2.93 135.00 137.59 2wh3 n PRO 142 Ca -0.18 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wh3 n PRO 142 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2wh3 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh3 n GLY 143 N 3.89 1.50 3.60 -1.23 0.00 -0.22 -5.00 105.19 107.73 2wh3 n GLY 143 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2wh3 n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh3 s ASP 144 N -2.00 4.65 -0.24 1.61 1.11 -1.15 -4.89 116.67 115.77 2wh3 s ASP 144 Ca 0.00 -0.11 -0.17 0.00 0.18 0.00 0.00 52.55 52.45 2wh3 s ASP 144 Cb 0.00 -1.11 -0.03 0.00 1.07 0.00 0.00 42.92 42.85 2wh3 s ASP 144 CO 0.00 0.30 0.47 -1.61 1.18 0.00 0.00 175.17 175.51 2wh3 s GLU 145 N -1.29 4.10 -0.58 8.23 2.02 -1.26 -1.08 118.70 128.83 2wh3 s GLU 145 Ca 0.16 0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 2wh3 s GLU 145 Cb -0.11 -3.61 0.15 0.00 0.10 0.00 0.00 34.13 30.66 2wh3 s GLU 145 CO 0.06 -0.24 0.39 0.42 0.02 0.00 0.00 175.26 175.91 2wh3 s ILE 146 N 1.95 3.50 0.36 -1.63 1.09 0.29 -1.23 121.20 125.52 2wh3 s ILE 146 Ca 0.20 -2.91 0.09 0.00 -1.10 0.00 0.00 60.65 56.93 2wh3 s ILE 146 Cb -0.15 -3.31 -0.07 0.00 -1.06 0.00 0.00 42.46 37.87 2wh3 s ILE 146 CO 0.09 -0.84 -0.05 0.00 -0.10 0.00 0.00 174.94 174.04 2wh3 s ALA 147 N 0.04 3.06 0.28 9.38 0.00 -0.70 -2.25 121.76 131.57 2wh3 s ALA 147 Ca 0.16 -2.12 -0.24 0.00 0.00 0.00 0.00 51.96 49.76 2wh3 s ALA 147 Cb -0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 2wh3 s ALA 147 CO -0.03 0.03 0.86 0.08 0.00 0.00 0.00 175.76 176.70 2wh3 s VAL 148 N -2.62 4.34 -0.13 0.00 1.01 -1.07 -1.20 120.40 120.74 2wh3 s VAL 148 Ca 0.34 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 2wh3 s VAL 148 Cb 0.04 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2wh3 s VAL 148 CO 0.17 0.19 1.53 0.00 0.00 0.00 0.00 175.10 177.00 2wh3 s ALA 149 N -1.55 3.54 0.37 5.51 0.00 -1.19 -4.81 121.76 123.64 2wh3 s ALA 149 Ca 0.47 0.67 0.21 0.00 0.00 0.00 0.00 51.96 53.31 2wh3 s ALA 149 Cb -0.18 -3.74 1.28 0.00 0.00 0.00 0.00 23.12 20.48 2wh3 s ALA 149 CO 0.23 -1.48 1.61 1.05 0.00 0.00 0.00 175.76 177.18 2wh3 h GLU 150 N 9.45 0.11 0.00 0.00 9.09 -1.94 1.15 114.58 132.44 2wh3 h GLU 150 Ca -0.34 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.06 2wh3 h GLU 150 Cb 1.15 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 2wh3 h GLU 150 CO 0.97 0.07 0.10 1.17 0.05 0.00 0.00 179.01 181.37 2wh3 n LYS 151 N -5.09 0.07 -0.05 1.06 4.81 -1.26 -0.16 118.16 117.54 2wh3 n LYS 151 Ca 0.36 0.53 0.03 0.00 -0.87 0.00 0.00 58.31 58.36 2wh3 n LYS 151 Cb 1.22 -1.82 0.06 0.00 0.02 0.00 0.00 35.03 34.51 2wh3 n LYS 151 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2wh3 n SER 152 N -1.85 2.05 0.41 3.14 7.64 0.40 -4.69 113.62 120.71 2wh3 n SER 152 Ca -0.01 -1.63 -0.18 0.00 1.01 0.00 0.00 58.87 58.06 2wh3 n SER 152 Cb 0.11 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 2wh3 n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wh3 h ARG 153 N 1.27 -0.99 0.00 1.43 3.08 -0.50 -2.94 114.38 115.73 2wh3 h ARG 153 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wh3 h ARG 153 Cb 0.46 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2wh3 h ARG 153 CO 0.00 -0.65 0.00 0.09 -1.07 0.00 0.00 179.97 178.34 2wh3 n ASN 154 N -5.52 0.00 -4.67 7.04 3.02 -1.26 -4.59 115.26 109.28 2wh3 n ASN 154 Ca -0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.99 2wh3 n ASN 154 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 2wh3 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wh3 s LEU 155 N -1.21 4.16 0.00 3.41 1.43 -1.11 -4.93 118.68 120.42 2wh3 s LEU 155 Ca 0.00 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 2wh3 s LEU 155 Cb 0.00 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2wh3 s LEU 155 CO 0.00 -0.43 0.75 -0.62 0.23 0.00 0.00 176.35 176.28 2wh3 n GLU 156 N 5.39 0.00 -0.08 1.70 1.02 -1.26 -1.28 120.64 126.13 2wh3 n GLU 156 Ca 0.05 0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 2wh3 n GLU 156 Cb 0.48 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 2wh3 n GLU 156 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wh3 n LEU 157 N -1.25 1.40 0.24 -4.62 7.94 -1.26 -3.00 117.00 116.44 2wh3 n LEU 157 Ca 0.00 0.07 0.15 0.00 -1.11 0.00 0.00 56.01 55.12 2wh3 n LEU 157 Cb 0.07 -0.20 0.46 0.00 0.53 0.00 0.00 43.42 44.28 2wh3 n LEU 157 CO 0.00 0.66 0.91 0.40 -1.11 0.00 0.00 177.39 178.24 2wh3 h ILE 158 N 0.01 0.00 0.00 1.96 1.08 -1.47 -3.26 117.51 115.83 2wh3 h ILE 158 Ca -0.49 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 2wh3 h ILE 158 Cb 2.07 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 2wh3 h ILE 158 CO 0.01 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.01 2wh3 n ARG 159 N -2.99 0.00 -0.17 2.37 5.12 -0.84 -3.03 116.66 117.12 2wh3 n ARG 159 Ca 0.02 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.10 2wh3 n ARG 159 Cb 0.40 -0.48 0.29 0.00 -1.16 0.00 0.00 32.46 31.51 2wh3 n ARG 159 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wh3 n GLN 160 N -0.41 -0.03 0.00 5.56 6.02 -1.16 0.32 117.38 127.67 2wh3 n GLN 160 Ca 0.00 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2wh3 n GLN 160 Cb 0.00 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2wh3 n GLN 160 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wh3 n ASN 161 N -4.24 0.00 -0.30 1.08 4.13 -1.23 -1.41 115.26 113.28 2wh3 n ASN 161 Ca 0.19 0.90 0.29 0.00 1.68 0.00 0.00 54.58 57.63 2wh3 n ASN 161 Cb 0.64 -0.47 0.64 0.00 -1.54 0.00 0.00 39.78 39.05 2wh3 n ASN 161 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2wh3 h LEU 162 N 0.00 0.20 0.50 3.41 3.38 -0.05 -0.56 115.31 122.19 2wh3 h LEU 162 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wh3 h LEU 162 Cb 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wh3 h LEU 162 CO 0.00 0.04 -0.42 -0.08 0.09 0.00 0.00 178.44 178.07 2wh3 h GLU 163 N 0.17 -0.87 0.00 1.13 4.57 0.02 -2.05 114.58 117.56 2wh3 h GLU 163 Ca 0.56 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2wh3 h GLU 163 Cb 1.86 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.65 2wh3 h GLU 163 CO -0.14 -0.58 0.00 0.00 -1.18 0.00 0.00 179.01 177.12 2wh3 n ALA 164 N -2.69 2.41 0.05 2.92 0.00 -0.35 -3.18 120.51 119.67 2wh3 n ALA 164 Ca -0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2wh3 n ALA 164 Cb 0.40 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 2wh3 n ALA 164 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2wh3 h MET 165 N 0.00 0.12 0.00 0.00 2.86 -0.45 -3.29 114.93 114.17 2wh3 h MET 165 Ca 0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2wh3 h MET 165 Cb 0.00 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2wh3 h MET 165 CO 0.00 0.97 0.06 1.63 1.06 0.00 0.00 176.91 180.63 2wh3 n LYS 166 N -3.35 0.00 0.00 1.72 5.02 -1.18 -3.04 118.16 117.33 2wh3 n LYS 166 Ca -0.11 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2wh3 n LYS 166 Cb 1.01 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2wh3 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 167 N -1.01 1.22 3.13 0.72 0.00 -1.24 -4.99 105.19 103.02 2wh3 n GLY 167 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2wh3 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh3 n ARG 168 N -0.34 -1.70 -4.40 1.61 1.74 -1.17 -5.00 116.66 107.40 2wh3 n ARG 168 Ca 0.00 -0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 56.25 2wh3 n ARG 168 Cb 0.00 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 29.81 2wh3 n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wh3 s LYS 169 N -3.27 3.44 1.15 5.56 1.02 -1.26 -5.02 119.74 121.35 2wh3 s LYS 169 Ca 0.45 -0.49 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 2wh3 s LYS 169 Cb -0.06 -2.87 0.27 0.00 -0.52 0.00 0.00 37.83 34.65 2wh3 s LYS 169 CO 0.52 0.39 1.04 0.54 -0.92 0.00 0.00 175.35 176.92 2wh3 s VAL 170 N -0.04 2.03 0.13 3.17 0.11 -1.26 -4.88 120.40 119.65 2wh3 s VAL 170 Ca 0.02 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 2wh3 s VAL 170 Cb -0.13 -2.09 -0.10 0.00 -1.53 0.00 0.00 36.38 32.53 2wh3 s VAL 170 CO 0.02 -0.01 1.65 -0.83 -3.33 0.00 0.00 175.10 172.61 2wh3 s GLY 171 N -2.58 1.49 0.00 6.54 0.00 -1.26 -4.83 107.32 106.67 2wh3 s GLY 171 Ca 0.68 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.75 2wh3 s GLY 171 CO 0.64 2.83 0.58 -1.05 0.00 0.00 0.00 173.10 176.10 2wh3 n PRO 172 N 4.79 0.00 -0.53 2.90 -0.02 -1.26 0.16 135.00 141.04 2wh3 n PRO 172 Ca 0.15 0.13 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2wh3 n PRO 172 Cb 0.39 -1.81 0.21 0.00 -0.02 0.00 0.00 33.50 32.27 2wh3 n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wh3 n TRP 173 N -1.08 0.72 -3.74 6.00 2.14 -1.26 -4.96 117.44 115.26 2wh3 n TRP 173 Ca 0.00 -1.24 -0.11 0.00 2.07 0.00 0.00 57.50 58.22 2wh3 n TRP 173 Cb 0.31 -0.35 -0.07 0.00 -0.81 0.00 0.00 31.31 30.40 2wh3 n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2wh3 s LEU 174 N -3.04 0.83 -0.23 5.67 1.43 0.42 -1.69 118.68 122.06 2wh3 s LEU 174 Ca 0.41 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2wh3 s LEU 174 Cb 0.36 1.43 0.05 0.00 0.03 0.00 0.00 46.19 48.06 2wh3 s LEU 174 CO 0.03 -0.68 -0.10 -0.94 0.23 0.00 0.00 176.35 174.89 2wh3 s SER 175 N -2.30 3.94 -0.28 2.29 1.04 -1.16 -4.62 113.70 112.60 2wh3 s SER 175 Ca -0.02 -1.16 -0.08 0.00 0.48 0.00 0.00 55.95 55.16 2wh3 s SER 175 Cb 0.00 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.75 2wh3 s SER 175 CO -0.06 -0.18 0.11 -0.22 0.98 0.00 0.00 173.24 173.87 2wh3 s LEU 176 N 1.27 3.81 -0.93 2.42 2.96 -1.26 -1.95 118.68 125.00 2wh3 s LEU 176 Ca -0.05 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2wh3 s LEU 176 Cb -0.18 -1.96 0.24 0.00 0.50 0.00 0.00 46.19 44.79 2wh3 s LEU 176 CO -0.07 -0.13 0.87 -0.62 -1.32 0.00 0.00 176.35 175.09 2wh3 s ASP 177 N 1.60 6.74 0.31 3.68 -1.08 -0.27 -4.94 116.67 122.71 2wh3 s ASP 177 Ca 0.05 -3.18 0.06 0.00 -0.52 0.00 0.00 52.55 48.96 2wh3 s ASP 177 Cb -0.16 -2.14 0.83 0.00 -1.46 0.00 0.00 42.92 39.99 2wh3 s ASP 177 CO 0.05 -0.39 1.67 0.58 0.52 0.00 0.00 175.17 177.60 2wh3 h VAL 178 N 4.31 0.38 0.00 1.11 2.07 -1.97 -2.90 116.25 119.26 2wh3 h VAL 178 Ca 0.13 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2wh3 h VAL 178 Cb 0.94 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wh3 h VAL 178 CO 0.86 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.89 2wh3 n GLU 179 N -5.09 0.00 -0.09 1.57 1.02 -1.26 -2.33 120.64 114.45 2wh3 n GLU 179 Ca 0.25 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2wh3 n GLU 179 Cb 0.76 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2wh3 n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wh3 n GLY 180 N -0.88 1.37 3.20 0.62 0.00 -1.14 -4.81 105.19 103.55 2wh3 n GLY 180 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2wh3 n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wh3 n MET 181 N 1.00 -0.56 -3.88 1.61 2.81 -0.99 -4.85 117.12 112.26 2wh3 n MET 181 Ca 0.00 -0.12 -0.11 0.00 -1.81 0.00 0.00 57.70 55.66 2wh3 n MET 181 Cb 0.30 -0.05 0.01 0.00 -0.71 0.00 0.00 33.22 32.77 2wh3 n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2wh3 s LYS 182 N -3.82 2.19 0.05 0.03 -2.85 -1.11 -2.59 119.74 111.64 2wh3 s LYS 182 Ca 0.04 -1.57 -0.28 0.00 -1.00 0.00 0.00 55.97 53.16 2wh3 s LYS 182 Cb -0.02 0.58 0.09 0.00 -2.06 0.00 0.00 37.83 36.42 2wh3 s LYS 182 CO 0.16 -1.00 1.05 0.20 0.10 0.00 0.00 175.35 175.86 2wh3 s GLY 183 N -3.13 -0.33 0.22 0.59 0.00 -0.95 -1.12 107.32 102.61 2wh3 s GLY 183 Ca 0.20 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.53 2wh3 s GLY 183 CO 0.15 0.14 -0.08 0.54 0.00 0.00 0.00 173.10 173.85 2wh3 s LYS 184 N -2.98 1.35 -0.36 2.90 1.02 -0.82 0.10 119.74 120.96 2wh3 s LYS 184 Ca 0.11 -1.64 -0.19 0.00 0.02 0.00 0.00 55.97 54.27 2wh3 s LYS 184 Cb 0.00 -0.92 -0.00 0.00 -0.52 0.00 0.00 37.83 36.39 2wh3 s LYS 184 CO -0.02 0.06 0.54 0.12 -0.92 0.00 0.00 175.35 175.13 2wh3 s PHE 185 N -3.15 3.17 -0.01 3.18 5.36 -0.24 -2.99 117.98 123.29 2wh3 s PHE 185 Ca 0.25 0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 56.40 2wh3 s PHE 185 Cb 0.03 -2.99 -0.00 0.00 -0.34 0.00 0.00 43.02 39.71 2wh3 s PHE 185 CO 0.08 -0.58 0.16 -0.07 -1.46 0.00 0.00 175.22 173.34 2wh3 h LEU 186 N 9.18 -0.02 0.00 6.12 3.38 -1.68 -0.56 115.31 131.73 2wh3 h LEU 186 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wh3 h LEU 186 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2wh3 h LEU 186 CO 0.79 0.03 0.00 -2.11 0.09 0.00 0.00 178.44 177.25 2wh3 n ARG 187 N -2.32 0.00 -2.40 1.13 1.85 -1.17 -4.62 116.66 109.13 2wh3 n ARG 187 Ca -0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2wh3 n ARG 187 Cb 0.01 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.40 2wh3 n ARG 187 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wh3 s LEU 188 N 0.00 4.16 -1.10 2.89 1.43 -1.26 -4.91 118.68 119.89 2wh3 s LEU 188 Ca 0.00 1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 2wh3 s LEU 188 Cb 0.00 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.48 2wh3 s LEU 188 CO 0.00 -0.80 2.07 -0.81 0.23 0.00 0.00 176.35 177.03 2wh3 n PRO 189 N 6.71 0.47 -1.31 1.29 -0.04 -1.26 -4.89 135.00 135.97 2wh3 n PRO 189 Ca 0.14 -1.89 -0.51 0.00 -0.04 0.00 0.00 63.50 61.20 2wh3 n PRO 189 Cb 0.45 -3.88 -0.07 0.00 -0.04 0.00 0.00 33.50 29.96 2wh3 n PRO 189 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wh3 n ASP 190 N 18.53 -0.08 0.00 3.54 2.03 -1.26 -4.64 116.55 134.66 2wh3 n ASP 190 Ca 0.42 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.75 2wh3 n ASP 190 Cb 0.47 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2wh3 n ASP 190 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2wh3 n ARG 191 N 1.29 0.00 -0.33 -0.67 3.00 -1.26 0.15 116.66 118.84 2wh3 n ARG 191 Ca 0.17 0.30 0.27 0.00 -0.00 0.00 0.00 57.85 58.59 2wh3 n ARG 191 Cb 0.08 -0.46 0.51 0.00 0.00 0.00 0.00 32.46 32.59 2wh3 n ARG 191 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2wh3 h GLU 192 N 0.00 0.17 -0.67 -0.14 3.07 -2.02 0.35 114.58 115.34 2wh3 h GLU 192 Ca 0.00 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.98 2wh3 h GLU 192 Cb 0.00 -0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 27.75 2wh3 h GLU 192 CO 0.00 0.11 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.11 2wh3 h ASP 193 N 0.17 -0.63 -3.10 1.42 3.32 -0.58 -3.35 116.42 113.67 2wh3 h ASP 193 Ca 0.77 0.20 -0.56 0.00 0.02 0.00 0.00 57.03 57.47 2wh3 h ASP 193 Cb 1.89 0.42 -0.03 0.00 0.22 0.00 0.00 39.33 41.83 2wh3 h ASP 193 CO -0.69 -0.22 0.70 -0.76 -1.72 0.00 0.00 179.24 176.55 2wh3 s LEU 194 N -10.91 4.25 -0.79 1.55 2.01 0.12 -4.95 118.68 109.97 2wh3 s LEU 194 Ca -0.14 1.72 0.01 0.00 0.01 0.00 0.00 54.13 55.73 2wh3 s LEU 194 Cb 0.20 -3.55 0.35 0.00 0.01 0.00 0.00 46.19 43.20 2wh3 s LEU 194 CO 0.74 -0.58 1.66 0.00 1.01 0.00 0.00 176.35 179.18 2wh3 n ALA 195 N 5.36 5.89 -1.85 4.21 0.00 -1.26 -4.95 120.51 127.92 2wh3 n ALA 195 Ca 0.11 -4.38 -0.34 0.00 0.00 0.00 0.00 53.44 48.83 2wh3 n ALA 195 Cb 0.47 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 2wh3 n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wh3 s LEU 196 N -3.97 4.11 -0.30 0.00 1.43 -1.26 -4.96 118.68 113.72 2wh3 s LEU 196 Ca 0.47 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 55.24 2wh3 s LEU 196 Cb 0.34 -4.27 0.08 0.00 0.03 0.00 0.00 46.19 42.38 2wh3 s LEU 196 CO -0.26 -0.22 2.48 -0.81 0.23 0.00 0.00 176.35 177.77 2wh3 n PRO 197 N -0.12 1.98 -4.11 1.29 -0.04 -1.26 -4.86 135.00 127.87 2wh3 n PRO 197 Ca 0.04 -1.65 -0.21 0.00 -0.04 0.00 0.00 63.50 61.65 2wh3 n PRO 197 Cb 0.52 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 32.02 2wh3 n PRO 197 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh3 s VAL 198 N -1.70 0.54 -1.26 0.52 0.11 -1.26 -4.98 120.40 112.37 2wh3 s VAL 198 Ca 0.43 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 2wh3 s VAL 198 Cb 0.28 -0.58 0.12 0.00 -1.53 0.00 0.00 36.38 34.68 2wh3 s VAL 198 CO -0.08 0.23 1.59 0.21 -3.33 0.00 0.00 175.10 173.72 2wh3 s ASN 199 N 1.06 6.96 0.63 3.54 3.84 -1.26 -4.84 114.94 124.87 2wh3 s ASN 199 Ca -0.09 -2.73 0.16 0.00 0.21 0.00 0.00 52.86 50.41 2wh3 s ASN 199 Cb -0.14 -2.49 0.65 0.00 -0.55 0.00 0.00 41.25 38.72 2wh3 s ASN 199 CO -0.01 -0.96 1.28 1.05 -2.79 0.00 0.00 177.10 175.68 2wh3 h GLU 200 N 7.35 0.00 -0.24 0.43 9.09 -1.97 0.25 114.58 129.49 2wh3 h GLU 200 Ca 0.38 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.86 2wh3 h GLU 200 Cb 0.87 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.90 2wh3 h GLU 200 CO 1.35 0.00 -0.26 1.96 0.05 0.00 0.00 179.01 182.11 2wh3 h GLN 201 N 0.00 -0.26 -0.77 1.06 1.08 -1.96 -0.96 115.11 113.30 2wh3 h GLN 201 Ca 0.22 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 2wh3 h GLN 201 Cb 2.18 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 29.61 2wh3 h GLN 201 CO -0.00 -0.17 0.46 -0.07 -0.95 0.00 0.00 178.83 178.09 2wh3 h LEU 202 N -0.27 0.71 0.00 1.46 3.38 -0.88 0.88 115.31 120.59 2wh3 h LEU 202 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wh3 h LEU 202 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wh3 h LEU 202 CO -0.40 0.46 0.00 0.52 0.09 0.00 0.00 178.44 179.11 2wh3 n VAL 203 N -4.69 0.73 -0.12 1.22 0.31 -0.43 -0.25 118.33 115.09 2wh3 n VAL 203 Ca 0.10 0.18 -0.24 0.00 -0.01 0.00 0.00 64.34 64.38 2wh3 n VAL 203 Cb 0.17 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 31.95 2wh3 n VAL 203 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wh3 n ILE 204 N -1.24 1.52 0.50 2.52 2.08 0.22 -4.34 119.36 120.62 2wh3 n ILE 204 Ca 0.04 -0.19 -0.20 0.00 0.56 0.00 0.00 62.75 62.96 2wh3 n ILE 204 Cb 0.05 -2.02 -0.09 0.00 -0.75 0.00 0.00 39.64 36.84 2wh3 n ILE 204 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2wh3 h GLU 205 N -1.00 -1.23 -1.18 0.38 5.08 -0.47 -2.50 114.58 113.66 2wh3 h GLU 205 Ca -0.48 0.08 0.40 0.00 -1.00 0.00 0.00 59.36 58.36 2wh3 h GLU 205 Cb 1.39 0.28 -0.11 0.00 0.50 0.00 0.00 28.75 30.81 2wh3 h GLU 205 CO -0.29 -0.82 0.77 0.34 -1.00 0.00 0.00 179.01 178.01 2wh3 n PHE 206 N -5.57 0.53 -1.32 4.33 7.35 0.65 0.86 117.46 124.30 2wh3 n PHE 206 Ca -0.16 0.54 -0.24 0.00 -0.76 0.00 0.00 57.45 56.83 2wh3 n PHE 206 Cb 0.50 -0.95 -0.09 0.00 0.35 0.00 0.00 39.48 39.29 2wh3 n PHE 206 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2wh3 n TYR 207 N -4.29 1.19 0.00 -5.13 0.53 -0.94 -3.35 117.16 105.17 2wh3 n TYR 207 Ca 0.34 -2.06 0.00 0.00 -1.02 0.00 0.00 57.90 55.15 2wh3 n TYR 207 Cb 1.33 -1.72 0.00 0.00 -1.03 0.00 0.00 39.34 37.92 2wh3 n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2wh3 n SER 208 N 2.12 0.00 0.00 7.72 7.64 0.25 -5.02 113.62 126.34 2wh3 n SER 208 Ca 0.53 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2wh3 n SER 208 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2wh3 n SER 208 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92