#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r96 s LYS 2 N 0.00 3.45 -0.17 0.00 1.02 -1.26 0.14 119.74 122.92 2r96 s LYS 2 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2r96 s LYS 2 Cb 0.00 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2r96 s LYS 2 CO 0.00 -0.16 -0.18 0.08 -0.92 0.00 0.00 175.35 174.16 2r96 s VAL 3 N 1.42 2.27 -0.23 3.17 1.01 0.53 -0.50 120.40 128.07 2r96 s VAL 3 Ca 0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2r96 s VAL 3 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2r96 s VAL 3 CO -0.01 0.53 0.10 -0.22 0.00 0.00 0.00 175.10 175.49 2r96 s LEU 4 N 1.17 3.72 -0.49 3.92 2.96 -0.17 -1.52 118.68 128.27 2r96 s LEU 4 Ca 0.02 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 2r96 s LEU 4 Cb -0.14 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.62 2r96 s LEU 4 CO -0.08 0.04 0.62 -0.69 -1.32 0.00 0.00 176.35 174.91 2r96 s VAL 5 N 1.17 4.88 -0.20 1.68 1.01 0.55 -0.90 120.40 128.59 2r96 s VAL 5 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2r96 s VAL 5 Cb -0.14 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 2r96 s VAL 5 CO 0.04 -0.76 0.00 -0.22 0.00 0.00 0.00 175.10 174.16 2r96 s LEU 6 N 2.63 3.26 0.06 3.92 2.96 0.11 -1.08 118.68 130.53 2r96 s LEU 6 Ca 0.16 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2r96 s LEU 6 Cb -0.18 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2r96 s LEU 6 CO 0.13 0.06 0.04 -0.72 -1.32 0.00 0.00 176.35 174.53 2r96 s TYR 7 N 1.05 0.40 -0.04 5.38 -0.85 -0.69 -1.14 117.35 121.46 2r96 s TYR 7 Ca 0.02 -0.91 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 2r96 s TYR 7 Cb -0.14 -0.29 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 2r96 s TYR 7 CO 0.02 -0.43 -0.17 -0.47 -1.52 0.00 0.00 175.55 172.97 2r96 s TYR 8 N -3.89 1.69 -0.09 -3.49 5.04 0.05 -1.52 117.35 115.15 2r96 s TYR 8 Ca 0.06 -0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 54.18 2r96 s TYR 8 Cb 0.07 -1.13 0.03 0.00 0.35 0.00 0.00 41.96 41.28 2r96 s TYR 8 CO -0.10 -0.13 0.22 0.45 -1.34 0.00 0.00 175.55 174.64 2r96 s SER 9 N -0.07 -0.23 -0.23 4.32 0.15 -1.26 -3.95 113.70 112.43 2r96 s SER 9 Ca -0.01 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.12 2r96 s SER 9 Cb -0.10 0.43 -0.16 0.00 -1.71 0.00 0.00 66.02 64.47 2r96 s SER 9 CO 0.02 -0.10 -0.19 0.80 1.20 0.00 0.00 173.24 174.97 2r96 n MET 10 N 3.30 0.63 0.00 5.44 1.56 -1.26 -4.69 117.12 122.11 2r96 n MET 10 Ca -0.16 0.12 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 2r96 n MET 10 Cb 0.57 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.46 2r96 n MET 10 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2r96 n TYR 11 N -3.15 0.00 0.00 1.12 4.01 -1.26 -2.96 117.16 114.92 2r96 n TYR 11 Ca -0.41 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.86 2r96 n TYR 11 Cb 0.97 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 2r96 n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r96 n GLY 12 N -0.47 0.13 0.31 2.72 0.00 -1.26 -4.98 105.19 101.64 2r96 n GLY 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2r96 n GLY 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2r96 h HIS 13 N 0.00 -0.67 -0.95 1.61 3.86 -1.95 0.22 115.15 117.27 2r96 h HIS 13 Ca 0.00 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.31 2r96 h HIS 13 Cb 0.00 0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 2r96 h HIS 13 CO 0.00 -0.34 0.61 0.82 0.86 0.00 0.00 177.93 179.88 2r96 h ILE 14 N -1.00 0.92 -0.42 2.45 1.08 -1.94 0.10 117.51 118.70 2r96 h ILE 14 Ca -0.07 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2r96 h ILE 14 Cb 0.63 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 2r96 h ILE 14 CO 0.12 0.17 0.25 -0.08 -0.69 0.00 0.00 178.15 177.91 2r96 h GLU 15 N 0.91 0.48 -0.42 2.37 4.81 -1.79 0.61 114.58 121.55 2r96 h GLU 15 Ca 0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 2r96 h GLU 15 Cb 0.51 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2r96 h GLU 15 CO -0.23 0.32 0.18 1.15 -0.73 0.00 0.00 179.01 179.71 2r96 h THR 16 N 0.50 1.19 -0.84 0.32 2.02 0.71 -1.66 112.91 115.15 2r96 h THR 16 Ca 0.17 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.80 2r96 h THR 16 Cb 0.01 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2r96 h THR 16 CO -0.08 0.21 0.56 0.24 0.37 0.00 0.00 175.52 176.82 2r96 h MET 17 N 0.54 1.10 -0.37 6.66 2.86 -0.39 -2.24 114.93 123.09 2r96 h MET 17 Ca 0.14 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2r96 h MET 17 Cb 0.16 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2r96 h MET 17 CO -0.01 0.72 0.17 0.00 1.06 0.00 0.00 176.91 178.85 2r96 h ALA 18 N 1.48 0.48 -0.80 6.32 0.00 0.82 0.99 119.26 128.55 2r96 h ALA 18 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2r96 h ALA 18 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2r96 h ALA 18 CO -0.07 0.05 0.48 0.00 0.00 0.00 0.00 179.25 179.70 2r96 h ARG 19 N 0.45 1.08 0.03 0.00 2.47 -1.06 0.16 114.38 117.52 2r96 h ARG 19 Ca 0.13 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2r96 h ARG 19 Cb 0.13 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2r96 h ARG 19 CO -0.01 0.76 -0.02 0.00 0.56 0.00 0.00 179.97 181.26 2r96 h ALA 20 N 1.42 -0.05 -0.78 0.04 0.00 -0.97 0.62 119.26 119.54 2r96 h ALA 20 Ca 0.29 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.25 2r96 h ALA 20 Cb -0.04 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.66 2r96 h ALA 20 CO -0.05 -0.42 0.27 0.28 0.00 0.00 0.00 179.25 179.32 2r96 h VAL 21 N -0.25 0.56 -0.24 0.00 2.07 -0.31 -1.93 116.25 116.15 2r96 h VAL 21 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2r96 h VAL 21 Cb 0.23 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2r96 h VAL 21 CO 0.01 0.07 0.07 0.00 0.02 0.00 0.00 177.57 177.73 2r96 h ALA 22 N 1.61 0.32 -0.59 1.67 0.00 -0.35 -1.94 119.26 119.98 2r96 h ALA 22 Ca 0.45 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2r96 h ALA 22 Cb 0.75 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2r96 h ALA 22 CO -0.47 -0.04 -0.48 0.93 0.00 0.00 0.00 179.25 179.19 2r96 h GLU 23 N 0.22 -0.23 -0.72 0.00 5.08 -0.46 0.13 114.58 118.61 2r96 h GLU 23 Ca 0.08 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2r96 h GLU 23 Cb 0.26 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2r96 h GLU 23 CO -0.00 -0.15 0.43 0.78 -1.00 0.00 0.00 179.01 179.06 2r96 h GLY 24 N -0.24 1.05 0.98 -3.84 0.00 -1.16 -1.84 103.07 98.02 2r96 h GLY 24 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2r96 h GLY 24 CO -0.70 0.22 0.07 0.00 0.00 0.00 0.00 176.54 176.13 2r96 h ALA 25 N 1.34 0.64 -0.00 3.60 0.00 -0.83 -2.25 119.26 121.76 2r96 h ALA 25 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r96 h ALA 25 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2r96 h ALA 25 CO -0.15 0.38 0.19 0.77 0.00 0.00 0.00 179.25 180.43 2r96 h SER 26 N 0.67 0.00 0.73 0.00 0.02 0.09 -0.69 113.55 114.38 2r96 h SER 26 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2r96 h SER 26 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2r96 h SER 26 CO 0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.99 2r96 n LYS 27 N -2.97 0.08 -3.09 3.45 5.02 -0.85 -4.70 118.16 115.09 2r96 n LYS 27 Ca -0.02 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 2r96 n LYS 27 Cb 0.25 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 2r96 n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2r96 s VAL 28 N -3.09 4.90 0.09 -0.18 1.01 -0.27 -5.00 120.40 117.86 2r96 s VAL 28 Ca 0.08 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 62.59 2r96 s VAL 28 Cb 0.11 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2r96 s VAL 28 CO 0.37 -0.20 1.71 -0.62 0.00 0.00 0.00 175.10 176.36 2r96 s ASP 29 N 1.68 6.54 0.00 3.32 2.15 -1.26 -2.00 116.67 127.10 2r96 s ASP 29 Ca 0.26 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.82 2r96 s ASP 29 Cb -0.15 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2r96 s ASP 29 CO 0.13 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.81 2r96 n GLY 30 N 4.06 0.41 3.45 2.66 0.00 -1.26 -5.03 105.19 109.48 2r96 n GLY 30 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2r96 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r96 s ALA 31 N -2.00 3.43 -0.31 4.61 0.00 -0.85 -4.45 121.76 122.18 2r96 s ALA 31 Ca 0.00 -1.65 -0.25 0.00 0.00 0.00 0.00 51.96 50.06 2r96 s ALA 31 Cb 0.00 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.37 2r96 s ALA 31 CO 0.00 -1.34 0.87 -2.00 0.00 0.00 0.00 175.76 173.29 2r96 s GLU 32 N 1.65 3.97 -0.08 0.00 2.12 0.38 -4.81 118.70 121.93 2r96 s GLU 32 Ca 0.04 0.70 0.03 0.00 0.36 0.00 0.00 54.97 56.11 2r96 s GLU 32 Cb -0.19 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 2r96 s GLU 32 CO 0.09 -0.76 -0.18 0.54 -0.54 0.00 0.00 175.26 174.41 2r96 s VAL 33 N 3.17 2.64 0.03 3.70 0.11 -1.26 -0.34 120.40 128.44 2r96 s VAL 33 Ca 0.36 -0.84 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2r96 s VAL 33 Cb -0.13 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 2r96 s VAL 33 CO 0.14 0.56 -0.16 0.54 -3.33 0.00 0.00 175.10 172.84 2r96 s VAL 34 N -0.11 1.31 -0.16 2.04 0.11 -0.57 -4.99 120.40 118.02 2r96 s VAL 34 Ca -0.03 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 2r96 s VAL 34 Cb -0.14 -1.14 -0.00 0.00 -1.53 0.00 0.00 36.38 33.57 2r96 s VAL 34 CO 0.04 0.16 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.13 2r96 s VAL 35 N -0.70 2.65 0.13 2.04 1.01 -1.26 -0.33 120.40 123.93 2r96 s VAL 35 Ca 0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2r96 s VAL 35 Cb -0.08 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2r96 s VAL 35 CO 0.01 0.51 0.08 -0.54 0.00 0.00 0.00 175.10 175.16 2r96 s LYS 36 N 0.91 0.93 0.23 2.72 1.02 -0.24 -4.45 119.74 120.84 2r96 s LYS 36 Ca -0.04 -1.39 0.11 0.00 0.02 0.00 0.00 55.97 54.67 2r96 s LYS 36 Cb -0.15 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 2r96 s LYS 36 CO -0.02 -0.27 -0.20 -0.98 -0.92 0.00 0.00 175.35 172.97 2r96 s ARG 37 N -4.03 1.51 0.38 1.68 1.70 -0.83 -1.70 118.95 117.67 2r96 s ARG 37 Ca 0.22 -1.61 -0.09 0.00 -0.47 0.00 0.00 55.73 53.77 2r96 s ARG 37 Cb 0.07 -1.60 -0.06 0.00 -0.57 0.00 0.00 34.95 32.78 2r96 s ARG 37 CO 0.00 0.31 0.72 0.14 -1.08 0.00 0.00 175.30 175.40 2r96 s VAL 38 N -2.29 4.83 0.49 4.99 -7.23 -0.58 -0.56 120.40 120.05 2r96 s VAL 38 Ca 0.24 0.51 -0.23 0.00 -1.81 0.00 0.00 61.98 60.69 2r96 s VAL 38 Cb -0.05 -3.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 2r96 s VAL 38 CO 0.11 -0.48 1.13 -2.65 -0.31 0.00 0.00 175.10 172.90 2r96 n PRO 39 N -1.21 1.47 -2.17 4.82 -0.02 -1.26 -4.89 135.00 131.73 2r96 n PRO 39 Ca 0.02 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 2r96 n PRO 39 Cb 0.54 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2r96 n PRO 39 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2r96 s GLU 40 N -2.39 3.26 -0.04 -0.52 2.56 -1.26 -4.84 118.70 115.47 2r96 s GLU 40 Ca 0.67 1.54 0.02 0.00 0.00 0.00 0.00 54.97 57.21 2r96 s GLU 40 Cb -0.48 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 33.61 2r96 s GLU 40 CO 0.54 -0.91 -0.01 2.41 -0.56 0.00 0.00 175.26 176.73 2r96 n THR 41 N -1.53 0.26 -2.42 -1.70 -1.04 -1.26 -5.00 114.28 101.59 2r96 n THR 41 Ca 0.11 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 2r96 n THR 41 Cb 0.51 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 2r96 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r96 s MET 42 N -2.09 3.75 0.46 -2.82 0.23 -1.26 -4.99 119.30 112.58 2r96 s MET 42 Ca -0.03 1.21 -0.25 0.00 -1.03 0.00 0.00 55.69 55.59 2r96 s MET 42 Cb 0.01 -2.10 -0.08 0.00 -1.53 0.00 0.00 34.83 31.14 2r96 s MET 42 CO 0.14 -0.46 1.36 -2.14 -2.03 0.00 0.00 175.02 171.89 2r96 s PRO 43 N -3.61 3.65 0.26 3.16 0.02 -1.26 -4.72 135.00 132.49 2r96 s PRO 43 Ca 0.64 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.91 2r96 s PRO 43 Cb -0.14 -2.58 0.47 0.00 0.02 0.00 0.00 34.50 32.27 2r96 s PRO 43 CO 0.26 -0.79 1.79 -1.35 -0.33 0.00 0.00 177.00 176.58 2r96 h PRO 44 N 2.22 0.72 -0.49 5.54 0.11 -1.98 0.13 132.00 138.23 2r96 h PRO 44 Ca -0.50 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.68 2r96 h PRO 44 Cb 1.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2r96 h PRO 44 CO 0.61 0.48 0.34 0.37 -0.21 0.00 0.00 178.00 179.58 2r96 h GLN 45 N 0.74 0.16 0.00 1.05 4.15 -2.01 -3.21 115.11 115.99 2r96 h GLN 45 Ca 0.44 -0.01 -0.30 0.00 0.77 0.00 0.00 58.65 59.55 2r96 h GLN 45 Cb 0.50 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 2r96 h GLN 45 CO -0.30 0.11 -2.20 1.28 -1.93 0.00 0.00 178.83 175.79 2r96 n LEU 46 N -4.44 0.00 0.00 -2.39 4.32 0.40 -2.66 117.00 112.23 2r96 n LEU 46 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2r96 n LEU 46 Cb 0.45 0.40 0.00 0.00 -1.62 0.00 0.00 43.42 42.65 2r96 n LEU 46 CO 0.35 0.40 0.00 0.33 -1.22 0.00 0.00 177.39 177.25 2r96 n PHE 47 N -2.62 0.00 -0.02 -1.77 7.35 -0.96 -3.27 117.46 116.17 2r96 n PHE 47 Ca -0.27 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.40 2r96 n PHE 47 Cb 1.03 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.82 2r96 n PHE 47 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2r96 n GLU 48 N 0.00 2.70 0.20 -4.13 -0.58 -1.11 -3.89 120.64 113.84 2r96 n GLU 48 Ca 0.00 -0.01 0.14 0.00 -0.42 0.00 0.00 57.16 56.87 2r96 n GLU 48 Cb 0.00 -1.14 0.70 0.00 -0.57 0.00 0.00 31.44 30.43 2r96 n GLU 48 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2r96 h LYS 49 N 0.00 0.00 0.00 3.49 1.57 -1.49 -3.39 116.57 116.75 2r96 h LYS 49 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2r96 h LYS 49 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2r96 h LYS 49 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 2r96 n ALA 50 N -1.87 0.00 0.00 3.86 0.00 -1.26 -5.04 120.51 116.21 2r96 n ALA 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2r96 n ALA 50 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2r96 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r96 n GLY 51 N -1.41 1.94 1.91 0.00 0.00 -1.25 -5.05 105.19 101.33 2r96 n GLY 51 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2r96 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r96 n GLY 52 N 0.00 -3.56 0.00 -0.02 0.00 -1.26 -4.89 105.19 95.46 2r96 n GLY 52 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2r96 n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2r96 n LYS 53 N 1.71 0.00 -2.85 1.61 4.81 -1.16 -4.43 118.16 117.85 2r96 n LYS 53 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 2r96 n LYS 53 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2r96 n LYS 53 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2r96 s THR 54 N 0.00 4.26 -0.01 3.15 2.01 -1.26 -4.86 115.64 118.93 2r96 s THR 54 Ca 0.00 1.78 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2r96 s THR 54 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2r96 s THR 54 CO 0.00 0.29 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.87 2r96 s GLN 55 N -1.70 2.07 0.15 4.92 -1.52 -1.26 -5.03 119.66 117.28 2r96 s GLN 55 Ca 0.45 -0.95 -0.11 0.00 -1.95 0.00 0.00 55.36 52.80 2r96 s GLN 55 Cb -0.21 -2.05 -0.02 0.00 -0.22 0.00 0.00 33.01 30.51 2r96 s GLN 55 CO 0.26 0.55 1.51 1.15 -0.25 0.00 0.00 175.29 178.51 2r96 h THR 56 N 4.41 1.27 -3.57 -0.19 2.02 -2.02 -3.46 112.91 111.37 2r96 h THR 56 Ca -0.44 -1.46 -0.54 0.00 0.77 0.00 0.00 66.41 64.74 2r96 h THR 56 Cb 1.13 1.27 0.10 0.00 -1.74 0.00 0.00 68.15 68.90 2r96 h THR 56 CO 0.47 0.49 0.77 0.00 0.37 0.00 0.00 175.52 177.62 2r96 n ALA 57 N -2.53 2.25 -1.68 6.16 0.00 -1.26 -4.98 120.51 118.47 2r96 n ALA 57 Ca -0.01 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 2r96 n ALA 57 Cb 0.50 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.55 2r96 n ALA 57 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2r96 s PRO 58 N -1.46 3.28 0.05 0.00 0.04 -1.26 -4.68 135.00 130.97 2r96 s PRO 58 Ca 0.58 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2r96 s PRO 58 Cb -0.50 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2r96 s PRO 58 CO 0.58 -0.87 0.90 0.54 0.04 0.00 0.00 177.00 178.19 2r96 s VAL 59 N -2.11 4.70 0.48 -0.36 0.11 -1.26 -1.96 120.40 120.00 2r96 s VAL 59 Ca 0.68 1.92 -0.17 0.00 -2.93 0.00 0.00 61.98 61.48 2r96 s VAL 59 Cb -0.20 -4.25 -0.09 0.00 -1.53 0.00 0.00 36.38 30.31 2r96 s VAL 59 CO 0.32 0.28 0.95 0.00 -3.33 0.00 0.00 175.10 173.32 2r96 s ALA 60 N 0.35 3.09 0.02 1.54 0.00 0.27 -4.90 121.76 122.13 2r96 s ALA 60 Ca 0.46 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 2r96 s ALA 60 Cb -0.22 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2r96 s ALA 60 CO 0.27 -0.11 0.29 0.95 0.00 0.00 0.00 175.76 177.15 2r96 s THR 61 N -2.48 5.27 0.33 0.00 -4.23 -1.26 -4.62 115.64 108.65 2r96 s THR 61 Ca 0.59 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 2r96 s THR 61 Cb -0.10 -3.58 0.32 0.00 1.34 0.00 0.00 72.50 70.48 2r96 s THR 61 CO 0.27 0.34 1.77 -0.65 -0.54 0.00 0.00 174.62 175.81 2r96 h PRO 62 N 3.90 0.61 -0.69 3.99 0.11 -1.93 -2.10 132.00 135.89 2r96 h PRO 62 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2r96 h PRO 62 Cb 1.19 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2r96 h PRO 62 CO 0.66 0.40 0.37 1.96 -0.21 0.00 0.00 178.00 181.19 2r96 h GLN 63 N 0.63 0.96 -0.63 1.05 7.50 -1.95 -2.76 115.11 119.91 2r96 h GLN 63 Ca 0.59 -0.11 0.18 0.00 0.50 0.00 0.00 58.65 59.82 2r96 h GLN 63 Cb 1.11 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 28.43 2r96 h GLN 63 CO -0.38 0.71 0.51 0.93 -1.50 0.00 0.00 178.83 179.10 2r96 h GLU 64 N 0.97 0.00 0.00 1.46 5.08 -1.79 -2.77 114.58 117.52 2r96 h GLU 64 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2r96 h GLU 64 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2r96 h GLU 64 CO -0.04 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.86 2r96 h LEU 65 N 0.00 0.00 -1.99 1.33 3.38 -1.63 -0.67 115.31 115.73 2r96 h LEU 65 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2r96 h LEU 65 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2r96 h LEU 65 CO -0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2r96 h ALA 66 N 1.96 1.00 -0.00 1.53 0.00 -1.73 -2.89 119.26 119.13 2r96 h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r96 h ALA 66 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2r96 h ALA 66 CO 0.01 0.00 -0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2r96 n ASP 67 N -2.91 0.00 -4.60 0.00 8.00 -0.26 -4.86 116.55 111.93 2r96 n ASP 67 Ca -0.01 -0.27 -0.30 0.00 0.71 0.00 0.00 54.79 54.92 2r96 n ASP 67 Cb 0.18 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 2r96 n ASP 67 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2r96 s TYR 68 N -2.49 2.81 -0.14 1.24 2.02 -1.09 -4.90 117.35 114.79 2r96 s TYR 68 Ca 0.31 -0.12 0.17 0.00 -0.37 0.00 0.00 57.07 57.06 2r96 s TYR 68 Cb 0.21 -1.48 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 2r96 s TYR 68 CO 0.45 0.43 1.06 -0.44 -1.57 0.00 0.00 175.55 175.47 2r96 h ASP 69 N 3.71 0.00 -3.78 2.29 3.32 -1.12 -3.47 116.42 117.37 2r96 h ASP 69 Ca -0.48 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.38 2r96 h ASP 69 Cb 1.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 2r96 h ASP 69 CO 0.54 0.51 -0.52 0.00 -1.72 0.00 0.00 179.24 178.05 2r96 s ALA 70 N -2.97 -0.42 -0.14 3.45 0.00 -0.83 -2.36 121.76 118.49 2r96 s ALA 70 Ca -0.00 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2r96 s ALA 70 Cb 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2r96 s ALA 70 CO 0.79 -0.08 -0.19 0.42 0.00 0.00 0.00 175.76 176.69 2r96 s ILE 71 N 0.13 1.89 -0.29 0.00 1.01 -0.31 -0.99 121.20 122.63 2r96 s ILE 71 Ca -0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2r96 s ILE 71 Cb -0.02 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2r96 s ILE 71 CO 0.00 0.52 0.13 -0.63 0.00 0.00 0.00 174.94 174.95 2r96 s ILE 72 N 1.00 4.53 -0.18 2.92 1.01 -0.07 -2.16 121.20 128.24 2r96 s ILE 72 Ca -0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2r96 s ILE 72 Cb -0.15 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 2r96 s ILE 72 CO -0.05 0.17 0.13 -0.36 0.00 0.00 0.00 174.94 174.84 2r96 s PHE 73 N 1.62 3.45 -0.10 3.97 0.08 0.22 -0.71 117.98 126.51 2r96 s PHE 73 Ca 0.05 0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.50 2r96 s PHE 73 Cb -0.16 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2r96 s PHE 73 CO 0.06 0.38 -0.20 0.20 -0.10 0.00 0.00 175.22 175.56 2r96 s GLY 74 N 0.09 1.17 0.09 4.36 0.00 -0.29 -0.28 107.32 112.45 2r96 s GLY 74 Ca 0.09 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.02 2r96 s GLY 74 CO -0.01 -0.09 -0.11 -1.59 0.00 0.00 0.00 173.10 171.31 2r96 s THR 75 N 0.60 0.96 0.76 0.90 2.01 -1.00 -0.77 115.64 119.09 2r96 s THR 75 Ca -0.14 -1.57 -0.11 0.00 0.31 0.00 0.00 61.69 60.17 2r96 s THR 75 Cb -0.17 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.10 2r96 s THR 75 CO 0.04 -0.50 1.10 -2.16 -0.69 0.00 0.00 174.62 172.41 2r96 s PRO 76 N -2.59 2.44 0.39 4.92 0.04 -1.25 -2.52 135.00 136.42 2r96 s PRO 76 Ca 0.04 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 2r96 s PRO 76 Cb -0.04 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2r96 s PRO 76 CO 0.00 -1.35 0.79 -0.08 0.04 0.00 0.00 177.00 176.40 2r96 s THR 77 N -3.26 4.71 -0.35 1.26 -1.32 0.32 -3.39 115.64 113.61 2r96 s THR 77 Ca 0.60 0.81 0.01 0.00 -1.21 0.00 0.00 61.69 61.90 2r96 s THR 77 Cb -0.13 -3.69 0.11 0.00 -1.51 0.00 0.00 72.50 67.28 2r96 s THR 77 CO 0.53 -0.43 0.12 -0.13 -2.21 0.00 0.00 174.62 172.50 2r96 s ARG 78 N -3.59 1.07 -1.50 7.08 1.81 0.04 -4.82 118.95 119.04 2r96 s ARG 78 Ca 0.53 -1.53 -0.09 0.00 -1.72 0.00 0.00 55.73 52.92 2r96 s ARG 78 Cb -0.10 -2.40 0.07 0.00 -0.45 0.00 0.00 34.95 32.06 2r96 s ARG 78 CO 0.26 -1.02 0.78 1.19 -0.68 0.00 0.00 175.30 175.84 2r96 n PHE 79 N 4.35 -1.99 -0.79 -0.53 3.72 -1.26 -2.32 117.46 118.64 2r96 n PHE 79 Ca 0.02 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.26 2r96 n PHE 79 Cb 0.40 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 35.13 2r96 n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r96 n GLY 80 N -1.67 0.64 3.70 1.37 0.00 -1.26 -5.03 105.19 102.94 2r96 n GLY 80 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2r96 n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r96 s ASN 81 N -2.11 4.06 0.95 1.61 -0.87 -0.98 -3.18 114.94 114.41 2r96 s ASN 81 Ca 0.00 -1.49 -0.11 0.00 -1.57 0.00 0.00 52.86 49.69 2r96 s ASN 81 Cb 0.00 0.07 0.16 0.00 -0.02 0.00 0.00 41.25 41.46 2r96 s ASN 81 CO 0.00 -0.67 1.09 0.00 -2.57 0.00 0.00 177.10 174.95 2r96 s MET 82 N -3.82 0.83 0.62 -0.60 0.23 -1.26 -0.78 119.30 114.51 2r96 s MET 82 Ca 0.21 1.00 -0.15 0.00 -1.03 0.00 0.00 55.69 55.72 2r96 s MET 82 Cb 0.05 -1.75 -0.03 0.00 -1.53 0.00 0.00 34.83 31.58 2r96 s MET 82 CO 0.11 -2.59 1.06 -1.54 -2.03 0.00 0.00 175.02 170.03 2r96 s SER 83 N -3.08 5.70 0.42 -1.18 1.04 -1.22 -4.33 113.70 111.04 2r96 s SER 83 Ca 0.65 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.92 2r96 s SER 83 Cb -0.20 -2.52 0.88 0.00 0.10 0.00 0.00 66.02 64.27 2r96 s SER 83 CO 0.59 -1.23 2.06 1.23 0.98 0.00 0.00 173.24 176.87 2r96 h GLY 84 N 0.17 0.56 0.85 7.32 0.00 -1.94 0.66 103.07 110.69 2r96 h GLY 84 Ca -0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 2r96 h GLY 84 CO 0.57 0.20 -0.03 0.06 0.00 0.00 0.00 176.54 177.35 2r96 h GLN 85 N 0.53 0.47 -0.47 4.80 -0.00 -1.91 0.41 115.11 118.93 2r96 h GLN 85 Ca 0.15 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 2r96 h GLN 85 Cb -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.38 2r96 h GLN 85 CO -0.03 0.66 0.13 1.98 -0.00 0.00 0.00 178.83 181.57 2r96 h MET 86 N 0.23 0.71 -0.14 0.06 -1.53 -1.74 -1.24 114.93 111.27 2r96 h MET 86 Ca 0.07 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.18 2r96 h MET 86 Cb 0.46 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 2r96 h MET 86 CO 0.02 0.63 0.01 -0.09 0.14 0.00 0.00 176.91 177.62 2r96 h ARG 87 N 0.69 0.25 -0.66 0.39 9.65 -0.45 -1.53 114.38 122.71 2r96 h ARG 87 Ca 0.16 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 2r96 h ARG 87 Cb 0.23 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 2r96 h ARG 87 CO -0.01 0.45 0.36 1.15 2.80 0.00 0.00 179.97 184.73 2r96 h THR 88 N 0.01 0.96 0.40 0.20 2.02 0.05 0.15 112.91 116.69 2r96 h THR 88 Ca 0.04 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2r96 h THR 88 Cb 0.33 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2r96 h THR 88 CO 0.00 0.12 -0.41 0.15 0.37 0.00 0.00 175.52 175.76 2r96 h PHE 89 N 0.67 -1.11 -0.01 3.16 3.57 -1.01 -2.50 116.94 119.71 2r96 h PHE 89 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2r96 h PHE 89 Cb 0.19 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2r96 h PHE 89 CO -0.08 -0.56 0.01 -0.07 -2.23 0.00 0.00 178.31 175.38 2r96 h LEU 90 N -0.83 0.00 -0.73 0.59 3.38 -0.72 0.29 115.31 117.30 2r96 h LEU 90 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2r96 h LEU 90 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2r96 h LEU 90 CO -0.07 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.93 2r96 n ASP 91 N -4.18 0.53 -0.75 -0.43 10.43 -0.01 -1.90 116.55 120.23 2r96 n ASP 91 Ca -0.03 0.66 0.10 0.00 2.57 0.00 0.00 54.79 58.09 2r96 n ASP 91 Cb 0.10 -0.76 0.30 0.00 1.84 0.00 0.00 41.12 42.60 2r96 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2r96 n GLN 92 N -2.11 1.98 -0.58 -1.24 1.13 0.10 -4.42 117.38 112.24 2r96 n GLN 92 Ca 0.01 -1.48 0.05 0.00 -1.94 0.00 0.00 57.00 53.64 2r96 n GLN 92 Cb 0.17 -1.42 0.27 0.00 0.11 0.00 0.00 30.24 29.37 2r96 n GLN 92 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2r96 n THR 93 N 0.71 1.79 -0.17 5.09 -2.24 -0.80 -4.41 114.28 114.24 2r96 n THR 93 Ca 0.17 -0.92 -0.07 0.00 -2.27 0.00 0.00 64.05 60.96 2r96 n THR 93 Cb 0.41 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2r96 n THR 93 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r96 h GLY 94 N 4.39 0.72 0.82 3.38 0.00 -1.81 0.48 103.07 111.05 2r96 h GLY 94 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.10 2r96 h GLY 94 CO 0.31 0.26 0.38 -1.33 0.00 0.00 0.00 176.54 176.16 2r96 h GLY 95 N 0.69 0.91 0.94 4.60 0.00 -1.97 0.86 103.07 109.10 2r96 h GLY 95 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2r96 h GLY 95 CO -0.04 0.22 0.14 1.41 0.00 0.00 0.00 176.54 178.26 2r96 h LEU 96 N 0.73 0.54 -0.51 3.11 3.38 -1.78 -2.50 115.31 118.28 2r96 h LEU 96 Ca 0.26 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2r96 h LEU 96 Cb 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2r96 h LEU 96 CO -0.12 0.58 0.27 -0.25 0.09 0.00 0.00 178.44 179.01 2r96 h TRP 97 N 0.47 0.50 -0.18 1.13 7.01 -0.46 0.24 115.95 124.66 2r96 h TRP 97 Ca 0.13 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 2r96 h TRP 97 Cb 0.22 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2r96 h TRP 97 CO 0.00 0.26 -0.24 0.00 -2.79 0.00 0.00 178.44 175.68 2r96 h ALA 98 N 1.26 1.27 -0.00 2.65 0.00 -0.53 -1.85 119.26 122.05 2r96 h ALA 98 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2r96 h ALA 98 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2r96 h ALA 98 CO -0.13 0.49 -0.37 -1.13 0.00 0.00 0.00 179.25 178.10 2r96 n SER 99 N -4.16 0.46 -1.23 0.00 3.41 -0.97 -4.95 113.62 106.19 2r96 n SER 99 Ca -0.01 -0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.31 2r96 n SER 99 Cb 0.37 0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2r96 n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r96 n GLY 100 N 1.48 -0.02 0.37 5.00 0.00 -0.29 -4.93 105.19 106.79 2r96 n GLY 100 Ca 0.07 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.70 2r96 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r96 h ALA 101 N 0.48 1.48 -0.31 4.61 0.00 -0.86 -2.42 119.26 122.23 2r96 h ALA 101 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2r96 h ALA 101 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2r96 h ALA 101 CO 0.28 0.32 0.00 1.28 0.00 0.00 0.00 179.25 181.13 2r96 n LEU 102 N -4.56 3.09 -4.71 0.00 4.77 -1.26 -4.81 117.00 109.51 2r96 n LEU 102 Ca 0.17 -1.29 -0.43 0.00 -0.03 0.00 0.00 56.01 54.43 2r96 n LEU 102 Cb 0.28 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2r96 n LEU 102 CO 0.30 0.65 1.34 0.00 -1.33 0.00 0.00 177.39 178.34 2r96 n TYR 103 N 1.27 2.69 -0.95 -1.77 9.36 -0.91 -1.87 117.16 124.97 2r96 n TYR 103 Ca 0.18 0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.49 2r96 n TYR 103 Cb 0.56 -2.65 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 2r96 n TYR 103 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2r96 n GLY 104 N 3.76 0.82 3.83 2.98 0.00 0.66 -4.94 105.19 112.31 2r96 n GLY 104 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2r96 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r96 s LYS 105 N -0.13 4.11 0.21 1.61 1.02 -0.78 -4.42 119.74 121.35 2r96 s LYS 105 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 2r96 s LYS 105 Cb 0.00 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.97 2r96 s LYS 105 CO 0.00 -0.00 1.26 -0.51 -0.92 0.00 0.00 175.35 175.17 2r96 s LEU 106 N -3.26 4.44 0.01 3.17 1.43 -0.99 0.53 118.68 124.00 2r96 s LEU 106 Ca 0.59 2.36 0.03 0.00 -1.03 0.00 0.00 54.13 56.08 2r96 s LEU 106 Cb -0.10 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2r96 s LEU 106 CO 0.17 -0.45 -0.10 0.00 0.23 0.00 0.00 176.35 176.20 2r96 s ALA 107 N -0.12 0.80 0.10 4.21 0.00 0.88 -1.16 121.76 126.47 2r96 s ALA 107 Ca 0.54 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 2r96 s ALA 107 Cb -0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2r96 s ALA 107 CO 0.39 0.16 0.16 0.45 0.00 0.00 0.00 175.76 176.92 2r96 s SER 108 N -0.60 0.18 -0.00 0.00 0.15 -0.92 -0.45 113.70 112.07 2r96 s SER 108 Ca 0.01 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 55.81 2r96 s SER 108 Cb -0.05 0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2r96 s SER 108 CO 0.00 -0.75 0.09 0.54 1.20 0.00 0.00 173.24 174.32 2r96 s VAL 109 N -3.91 0.08 0.09 4.45 0.11 -1.26 -0.61 120.40 119.34 2r96 s VAL 109 Ca 0.10 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2r96 s VAL 109 Cb 0.05 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2r96 s VAL 109 CO -0.07 -0.34 -0.09 0.72 -3.33 0.00 0.00 175.10 171.98 2r96 s PHE 110 N -1.14 0.96 0.32 1.54 -0.71 0.61 -4.15 117.98 115.42 2r96 s PHE 110 Ca -0.12 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.13 2r96 s PHE 110 Cb -0.07 -0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 41.19 2r96 s PHE 110 CO 0.01 -0.04 0.37 -1.13 -1.34 0.00 0.00 175.22 173.09 2r96 n SER 111 N 0.66 -0.99 -3.84 1.98 3.41 -0.83 -2.38 113.62 111.63 2r96 n SER 111 Ca -0.17 -2.93 -0.12 0.00 -0.26 0.00 0.00 58.87 55.39 2r96 n SER 111 Cb 0.57 2.01 -0.13 0.00 -0.26 0.00 0.00 64.21 66.40 2r96 n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2r96 s SER 112 N -3.13 -0.09 0.38 4.04 0.15 -1.05 -1.71 113.70 112.30 2r96 s SER 112 Ca 0.33 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.19 2r96 s SER 112 Cb 0.00 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2r96 s SER 112 CO 0.23 -0.03 0.09 0.42 1.20 0.00 0.00 173.24 175.15 2r96 s THR 113 N 0.05 0.90 0.00 6.45 -4.23 -0.84 -0.52 115.64 117.46 2r96 s THR 113 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2r96 s THR 113 Cb -0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2r96 s THR 113 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2r96 n GLY 114 N -0.85 0.13 4.07 3.99 0.00 -1.26 0.73 105.19 112.00 2r96 n GLY 114 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2r96 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r96 n THR 115 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -1.06 114.28 112.32 2r96 n THR 115 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2r96 n THR 115 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2r96 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r96 n GLY 116 N -1.82 2.78 3.71 3.38 0.00 -1.26 -5.03 105.19 106.95 2r96 n GLY 116 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2r96 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r96 s GLY 117 N -1.82 1.64 0.00 -0.02 0.00 -1.26 -2.41 107.32 103.45 2r96 s GLY 117 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2r96 s GLY 117 CO 0.00 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.36 2r96 n GLY 118 N 3.77 0.48 0.30 0.20 0.00 -1.26 -4.72 105.19 103.97 2r96 n GLY 118 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2r96 n GLY 118 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2r96 h GLN 119 N 4.20 0.81 0.07 1.61 3.07 -1.86 -1.00 115.11 122.02 2r96 h GLN 119 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.57 2r96 h GLN 119 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.44 2r96 h GLN 119 CO 0.00 0.74 -0.03 0.93 0.09 0.00 0.00 178.83 180.56 2r96 h GLU 120 N 0.78 -0.09 -0.64 0.06 5.08 -1.93 -3.20 114.58 114.64 2r96 h GLU 120 Ca 0.17 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 2r96 h GLU 120 Cb 0.31 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2r96 h GLU 120 CO 0.00 0.44 0.43 1.96 -1.00 0.00 0.00 179.01 180.85 2r96 h GLN 121 N -0.72 0.30 -0.37 2.33 1.08 -1.79 -1.74 115.11 114.19 2r96 h GLN 121 Ca -0.01 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2r96 h GLN 121 Cb 0.58 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2r96 h GLN 121 CO 0.02 0.20 0.05 1.15 -0.95 0.00 0.00 178.83 179.30 2r96 h THR 122 N 0.31 1.24 0.29 -0.54 2.02 -1.14 -1.19 112.91 113.91 2r96 h THR 122 Ca 0.30 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2r96 h THR 122 Cb 0.76 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2r96 h THR 122 CO -0.07 0.30 -0.14 0.40 0.37 0.00 0.00 175.52 176.37 2r96 h ILE 123 N 0.46 0.74 -0.18 3.11 2.04 -1.34 -2.69 117.51 119.65 2r96 h ILE 123 Ca 0.11 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 2r96 h ILE 123 Cb 0.38 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2r96 h ILE 123 CO 0.01 0.11 -0.21 0.71 0.00 0.00 0.00 178.15 178.77 2r96 h THR 124 N -0.71 1.23 0.00 -0.27 1.35 -1.35 -0.61 112.91 112.56 2r96 h THR 124 Ca -0.04 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 2r96 h THR 124 Cb 0.48 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2r96 h THR 124 CO 0.06 0.33 -0.20 0.77 -0.25 0.00 0.00 175.52 176.23 2r96 h SER 125 N 0.28 0.00 -0.25 5.36 4.64 -1.29 -2.37 113.55 119.92 2r96 h SER 125 Ca 0.05 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 2r96 h SER 125 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2r96 h SER 125 CO 0.04 0.20 -0.57 0.74 -0.87 0.00 0.00 176.83 176.36 2r96 h THR 126 N 0.00 1.28 -0.91 2.95 2.02 -0.88 -3.22 112.91 114.14 2r96 h THR 126 Ca -0.00 -1.76 0.16 0.00 0.77 0.00 0.00 66.41 65.57 2r96 h THR 126 Cb 1.03 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 2r96 h THR 126 CO 0.03 0.57 0.59 -0.50 0.37 0.00 0.00 175.52 176.57 2r96 h TRP 127 N 0.59 0.83 -0.19 3.16 6.55 -0.63 -1.29 115.95 124.97 2r96 h TRP 127 Ca -0.00 0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.91 2r96 h TRP 127 Cb 1.19 -0.26 -0.05 0.00 -0.86 0.00 0.00 29.16 29.18 2r96 h TRP 127 CO 0.08 0.28 -0.14 1.15 -1.05 0.00 0.00 178.44 178.77 2r96 h THR 128 N 0.68 0.61 -0.58 1.49 2.02 -1.52 0.10 112.91 115.72 2r96 h THR 128 Ca 0.47 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 2r96 h THR 128 Cb 0.79 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2r96 h THR 128 CO -0.23 0.00 0.36 0.74 0.37 0.00 0.00 175.52 176.76 2r96 h THR 129 N -0.14 1.17 -0.15 3.16 2.02 -1.36 -0.67 112.91 116.93 2r96 h THR 129 Ca 0.11 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2r96 h THR 129 Cb 0.31 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2r96 h THR 129 CO -0.28 0.17 0.10 -0.07 0.37 0.00 0.00 175.52 175.82 2r96 h LEU 130 N 0.78 0.17 -0.61 2.58 3.38 -0.84 -1.85 115.31 118.93 2r96 h LEU 130 Ca 0.21 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 2r96 h LEU 130 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2r96 h LEU 130 CO -0.04 0.13 -0.64 0.00 0.09 0.00 0.00 178.44 177.97 2r96 h ALA 131 N 1.91 0.81 0.00 1.53 0.00 0.71 -1.25 119.26 122.97 2r96 h ALA 131 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2r96 h ALA 131 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2r96 h ALA 131 CO -0.01 0.76 -0.17 0.45 0.00 0.00 0.00 179.25 180.28 2r96 h HIS 132 N 0.16 0.00 -0.02 0.00 3.86 -0.80 0.62 115.15 118.98 2r96 h HIS 132 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2r96 h HIS 132 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2r96 h HIS 132 CO 0.02 0.17 0.00 0.72 0.86 0.00 0.00 177.93 179.70 2r96 n HIS 133 N -4.09 0.01 -2.07 2.45 -0.00 -1.03 -4.93 115.22 105.57 2r96 n HIS 133 Ca -0.02 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.72 57.51 2r96 n HIS 133 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.20 2r96 n HIS 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2r96 n GLY 134 N 1.08 0.33 3.77 -1.41 0.00 0.21 -3.44 105.19 105.74 2r96 n GLY 134 Ca 0.21 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2r96 n GLY 134 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r96 s MET 135 N -4.44 3.93 -0.22 1.61 1.00 -0.50 -0.24 119.30 120.44 2r96 s MET 135 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 55.69 57.11 2r96 s MET 135 Cb 0.00 -2.49 0.01 0.00 0.00 0.00 0.00 34.83 32.34 2r96 s MET 135 CO 0.00 -0.40 1.03 0.08 0.00 0.00 0.00 175.02 175.73 2r96 s VAL 136 N -1.55 4.70 -0.21 -6.03 1.01 0.19 -4.63 120.40 113.88 2r96 s VAL 136 Ca 0.61 2.01 -0.17 0.00 0.00 0.00 0.00 61.98 64.43 2r96 s VAL 136 Cb -0.27 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 2r96 s VAL 136 CO 0.33 -0.16 0.48 -0.63 0.00 0.00 0.00 175.10 175.12 2r96 s ILE 137 N 3.07 5.13 -0.32 2.22 1.01 -1.26 -0.08 121.20 130.98 2r96 s ILE 137 Ca 0.44 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.96 2r96 s ILE 137 Cb -0.15 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.59 2r96 s ILE 137 CO 0.07 0.19 0.01 0.54 0.00 0.00 0.00 174.94 175.76 2r96 s VAL 138 N 1.59 2.56 0.83 2.92 0.11 0.41 -4.95 120.40 123.86 2r96 s VAL 138 Ca 0.22 -1.86 -0.12 0.00 -2.93 0.00 0.00 61.98 57.29 2r96 s VAL 138 Cb -0.15 -2.65 0.11 0.00 -1.53 0.00 0.00 36.38 32.15 2r96 s VAL 138 CO 0.09 -0.32 1.19 -2.16 -3.33 0.00 0.00 175.10 170.57 2r96 s PRO 139 N 1.08 1.66 0.00 1.54 0.04 -1.26 -4.57 135.00 133.50 2r96 s PRO 139 Ca 0.01 -0.10 0.16 0.00 0.04 0.00 0.00 61.00 61.10 2r96 s PRO 139 Cb -0.20 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2r96 s PRO 139 CO -0.05 -1.74 0.79 0.44 0.04 0.00 0.00 177.00 176.48 2r96 n ILE 140 N -3.36 0.00 -4.12 0.56 -5.35 0.31 -4.99 119.36 102.41 2r96 n ILE 140 Ca 0.10 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2r96 n ILE 140 Cb 0.61 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 2r96 n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r96 n GLY 141 N 1.20 2.02 0.79 3.28 0.00 -0.43 -3.72 105.19 108.34 2r96 n GLY 141 Ca 0.06 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.65 2r96 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r96 n TYR 142 N 8.39 0.36 -0.01 1.61 4.01 -1.26 -4.20 117.16 126.06 2r96 n TYR 142 Ca 0.00 -1.54 -0.13 0.00 -0.16 0.00 0.00 57.90 56.07 2r96 n TYR 142 Cb 0.00 -0.33 -0.00 0.00 -0.31 0.00 0.00 39.34 38.70 2r96 n TYR 142 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2r96 h ALA 143 N 1.01 0.53 -1.82 -0.72 0.00 -2.00 -3.40 119.26 112.85 2r96 h ALA 143 Ca 0.07 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 2r96 h ALA 143 Cb 1.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2r96 h ALA 143 CO 0.13 0.70 1.16 0.00 0.00 0.00 0.00 179.25 181.24 2r96 s ALA 144 N -3.90 2.96 0.34 0.00 0.00 -1.26 -4.88 121.76 115.00 2r96 s ALA 144 Ca -0.09 0.02 0.35 0.00 0.00 0.00 0.00 51.96 52.24 2r96 s ALA 144 Cb 0.10 -3.98 1.66 0.00 0.00 0.00 0.00 23.12 20.90 2r96 s ALA 144 CO 0.87 -2.52 2.10 1.96 0.00 0.00 0.00 175.76 178.17 2r96 h GLN 145 N 11.70 0.00 -0.39 0.00 1.08 -2.00 -2.49 115.11 123.01 2r96 h GLN 145 Ca -0.30 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.01 2r96 h GLN 145 Cb 1.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 2r96 h GLN 145 CO 1.06 0.04 0.28 0.93 -0.95 0.00 0.00 178.83 180.20 2r96 h GLU 146 N 0.00 0.03 0.00 1.46 3.07 -1.93 -1.84 114.58 115.37 2r96 h GLU 146 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2r96 h GLU 146 Cb 0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2r96 h GLU 146 CO 0.01 0.02 0.16 -0.07 -1.40 0.00 0.00 179.01 177.73 2r96 h LEU 147 N 0.04 0.00 0.00 1.33 3.38 -1.82 0.36 115.31 118.59 2r96 h LEU 147 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2r96 h LEU 147 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2r96 h LEU 147 CO -0.01 0.00 -0.52 0.49 0.09 0.00 0.00 178.44 178.49 2r96 n PHE 148 N -2.95 0.06 -2.52 1.13 3.01 -0.69 -4.83 117.46 110.66 2r96 n PHE 148 Ca -0.02 0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 2r96 n PHE 148 Cb 0.22 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 2r96 n PHE 148 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2r96 s ASP 149 N -3.14 6.39 -0.24 4.37 3.68 0.11 -4.83 116.67 123.01 2r96 s ASP 149 Ca 0.10 0.28 0.13 0.00 2.13 0.00 0.00 52.55 55.19 2r96 s ASP 149 Cb 0.17 -2.55 0.59 0.00 -1.45 0.00 0.00 42.92 39.68 2r96 s ASP 149 CO 0.70 -1.50 1.54 1.33 0.13 0.00 0.00 175.17 177.37 2r96 n VAL 150 N 6.79 2.52 0.20 1.11 0.24 -1.26 -4.52 118.33 123.41 2r96 n VAL 150 Ca 0.11 -1.99 0.11 0.00 -2.04 0.00 0.00 64.34 60.53 2r96 n VAL 150 Cb 0.49 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.54 2r96 n VAL 150 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2r96 n SER 151 N -0.52 0.61 -4.22 -1.34 3.41 -1.26 -4.88 113.62 105.42 2r96 n SER 151 Ca 0.29 0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 2r96 n SER 151 Cb 1.06 0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 65.72 2r96 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r96 s GLN 152 N -3.35 0.96 0.26 4.33 -2.07 -1.26 -5.12 119.66 113.40 2r96 s GLN 152 Ca -0.01 -1.17 -0.30 0.00 -1.82 0.00 0.00 55.36 52.06 2r96 s GLN 152 Cb 0.12 -0.84 -0.10 0.00 -1.09 0.00 0.00 33.01 31.10 2r96 s GLN 152 CO 0.81 0.16 1.35 0.14 -1.32 0.00 0.00 175.29 176.44 2r96 s VAL 153 N -2.00 2.87 -0.25 3.63 -7.23 -1.26 -4.98 120.40 111.18 2r96 s VAL 153 Ca 0.06 0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 60.90 2r96 s VAL 153 Cb -0.06 -3.49 0.10 0.00 0.56 0.00 0.00 36.38 33.49 2r96 s VAL 153 CO 0.02 0.14 0.56 -0.60 -0.31 0.00 0.00 175.10 174.91 2r96 s ARG 154 N -0.74 0.51 0.84 4.82 3.52 -1.26 -5.07 118.95 121.57 2r96 s ARG 154 Ca 0.55 1.18 -0.14 0.00 -0.13 0.00 0.00 55.73 57.19 2r96 s ARG 154 Cb -0.39 0.41 0.20 0.00 -1.56 0.00 0.00 34.95 33.61 2r96 s ARG 154 CO 0.44 -0.20 0.88 0.41 -0.81 0.00 0.00 175.30 176.03 2r96 n GLY 155 N 4.98 -2.20 0.00 8.12 0.00 -1.26 -5.00 105.19 109.83 2r96 n GLY 155 Ca -0.15 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2r96 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r96 n GLY 156 N -2.34 1.59 3.35 -0.02 0.00 -0.95 -4.72 105.19 102.09 2r96 n GLY 156 Ca 0.12 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2r96 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2r96 s THR 157 N -1.10 0.05 -0.26 2.61 -4.23 -0.97 -4.79 115.64 106.95 2r96 s THR 157 Ca 0.00 -1.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.24 2r96 s THR 157 Cb 0.00 -2.01 0.24 0.00 1.34 0.00 0.00 72.50 72.07 2r96 s THR 157 CO 0.00 -0.21 1.72 1.55 -0.54 0.00 0.00 174.62 177.14 2r96 h PRO 158 N 2.52 0.00 0.00 3.99 0.13 -1.95 -2.67 132.00 134.02 2r96 h PRO 158 Ca -0.31 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 2r96 h PRO 158 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2r96 h PRO 158 CO 0.47 0.00 -0.69 1.88 -0.23 0.00 0.00 178.00 179.43 2r96 h TYR 159 N 0.00 0.00 0.00 1.56 0.99 -1.95 0.13 116.97 117.70 2r96 h TYR 159 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2r96 h TYR 159 Cb 0.16 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.89 2r96 h TYR 159 CO 0.00 0.69 0.00 0.41 -0.00 0.00 0.00 178.16 179.26 2r96 n GLY 160 N 0.90 2.56 3.72 3.88 0.00 -1.00 -4.23 105.19 111.02 2r96 n GLY 160 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2r96 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r96 n ALA 161 N -0.81 1.31 -2.14 4.61 0.00 -1.26 -2.28 120.51 119.94 2r96 n ALA 161 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 2r96 n ALA 161 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 2r96 n ALA 161 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2r96 s THR 162 N -1.31 0.13 0.07 0.00 -4.23 -1.26 -1.96 115.64 107.09 2r96 s THR 162 Ca 0.71 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2r96 s THR 162 Cb -0.43 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 2r96 s THR 162 CO 0.50 -0.59 -0.15 0.28 -0.54 0.00 0.00 174.62 174.12 2r96 s THR 163 N -4.02 1.19 -0.36 3.99 -1.32 -0.69 -2.24 115.64 112.19 2r96 s THR 163 Ca 0.20 -1.30 -0.13 0.00 -1.21 0.00 0.00 61.69 59.25 2r96 s THR 163 Cb 0.08 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 2r96 s THR 163 CO -0.01 -0.18 0.25 -0.63 -2.21 0.00 0.00 174.62 171.84 2r96 s ILE 164 N -1.21 5.21 -0.59 5.08 1.01 -1.26 -1.98 121.20 127.46 2r96 s ILE 164 Ca -0.01 -0.36 0.24 0.00 0.00 0.00 0.00 60.65 60.52 2r96 s ILE 164 Cb -0.10 -3.74 0.21 0.00 0.01 0.00 0.00 42.46 38.84 2r96 s ILE 164 CO 0.02 -0.09 1.54 0.00 0.00 0.00 0.00 174.94 176.42 2r96 h ALA 165 N 8.52 0.84 0.00 9.38 0.00 0.25 -3.43 119.26 134.82 2r96 h ALA 165 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2r96 h ALA 165 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2r96 h ALA 165 CO 0.66 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2r96 n GLY 166 N 1.25 -2.55 0.15 0.00 0.00 -0.23 -1.45 105.19 102.36 2r96 n GLY 166 Ca 0.04 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.89 2r96 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r96 n GLY 167 N -0.85 -0.56 0.11 -0.02 0.00 -1.13 -0.30 105.19 102.45 2r96 n GLY 167 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2r96 n GLY 167 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2r96 n ASP 168 N -1.96 0.79 0.00 1.61 4.64 -1.26 -5.00 116.55 115.37 2r96 n ASP 168 Ca -0.01 -0.05 0.00 0.00 -1.38 0.00 0.00 54.79 53.35 2r96 n ASP 168 Cb 0.35 0.48 0.00 0.00 -1.04 0.00 0.00 41.12 40.91 2r96 n ASP 168 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2r96 n GLY 169 N 1.96 0.67 0.18 0.27 0.00 0.60 -4.98 105.19 103.89 2r96 n GLY 169 Ca -0.37 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.72 2r96 n GLY 169 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r96 h SER 170 N 0.00 0.00 -4.13 1.61 4.64 -1.75 -3.46 113.55 110.46 2r96 h SER 170 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2r96 h SER 170 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 2r96 h SER 170 CO 0.00 0.29 0.44 -0.13 -0.87 0.00 0.00 176.83 176.56 2r96 s ARG 171 N -3.21 2.77 0.12 4.77 0.52 -0.53 -5.05 118.95 118.35 2r96 s ARG 171 Ca 0.04 1.74 0.10 0.00 -0.52 0.00 0.00 55.73 57.09 2r96 s ARG 171 Cb 0.08 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 2r96 s ARG 171 CO 0.69 -1.34 -0.26 -0.65 0.02 0.00 0.00 175.30 173.76 2r96 s GLN 172 N -3.57 1.40 -0.17 3.54 -1.52 -1.26 -4.83 119.66 113.26 2r96 s GLN 172 Ca 0.75 -1.29 -0.38 0.00 -1.95 0.00 0.00 55.36 52.49 2r96 s GLN 172 Cb -0.28 -1.83 -0.14 0.00 -0.22 0.00 0.00 33.01 30.53 2r96 s GLN 172 CO 0.37 0.44 1.75 -2.30 -0.25 0.00 0.00 175.29 175.29 2r96 n PRO 173 N 1.04 1.53 -1.34 2.91 -0.02 -1.26 -4.94 135.00 132.92 2r96 n PRO 173 Ca -0.18 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2r96 n PRO 173 Cb 0.53 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 2r96 n PRO 173 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2r96 s SER 174 N 3.34 4.46 0.25 2.55 1.04 -1.26 -4.81 113.70 119.27 2r96 s SER 174 Ca 0.95 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 59.00 2r96 s SER 174 Cb -0.92 -2.38 0.50 0.00 0.10 0.00 0.00 66.02 63.32 2r96 s SER 174 CO 0.58 -2.04 1.74 1.56 0.98 0.00 0.00 173.24 176.06 2r96 h GLN 175 N -1.13 0.48 -0.61 4.02 1.08 -1.99 -0.56 115.11 116.40 2r96 h GLN 175 Ca -0.45 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 56.66 2r96 h GLN 175 Cb 1.24 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 2r96 h GLN 175 CO 0.54 0.32 0.14 0.93 -0.95 0.00 0.00 178.83 179.81 2r96 h GLU 176 N 0.50 0.97 -0.50 1.46 5.08 -1.99 0.11 114.58 120.21 2r96 h GLU 176 Ca 0.44 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2r96 h GLU 176 Cb 0.66 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2r96 h GLU 176 CO -0.40 0.89 0.19 0.93 -1.00 0.00 0.00 179.01 179.63 2r96 h GLU 177 N 0.89 0.76 -0.64 2.33 5.08 -1.69 -2.31 114.58 118.99 2r96 h GLU 177 Ca 0.19 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2r96 h GLU 177 Cb 0.36 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2r96 h GLU 177 CO 0.00 0.68 0.09 -0.07 -1.00 0.00 0.00 179.01 178.72 2r96 h LEU 178 N 0.67 1.02 -1.21 1.33 3.38 -0.80 -1.07 115.31 118.63 2r96 h LEU 178 Ca 0.17 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2r96 h LEU 178 Cb 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2r96 h LEU 178 CO -0.01 1.01 0.55 -1.28 0.09 0.00 0.00 178.44 178.80 2r96 h SER 179 N 0.99 0.87 -0.20 -0.43 0.87 -0.58 0.43 113.55 115.50 2r96 h SER 179 Ca 0.20 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 2r96 h SER 179 Cb 0.44 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2r96 h SER 179 CO 0.01 0.59 -0.63 0.40 -0.53 0.00 0.00 176.83 176.67 2r96 h ILE 180 N 1.01 1.29 0.07 2.23 2.04 -0.90 -1.29 117.51 121.96 2r96 h ILE 180 Ca 0.34 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.38 2r96 h ILE 180 Cb 0.09 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2r96 h ILE 180 CO -0.11 0.58 -0.10 0.00 0.00 0.00 0.00 178.15 178.53 2r96 h ALA 181 N 0.59 -0.17 -0.43 1.87 0.00 -0.25 -0.21 119.26 120.67 2r96 h ALA 181 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2r96 h ALA 181 Cb 1.25 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2r96 h ALA 181 CO 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 179.25 178.74 2r96 h ARG 182 N -0.21 0.08 -0.61 0.00 3.08 -0.18 -1.32 114.38 115.22 2r96 h ARG 182 Ca 0.01 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2r96 h ARG 182 Cb 0.21 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 2r96 h ARG 182 CO -0.05 0.05 0.23 -0.92 -1.07 0.00 0.00 179.97 178.21 2r96 h TYR 183 N 0.08 0.40 -0.46 3.04 3.20 -0.72 -1.47 116.97 121.04 2r96 h TYR 183 Ca 0.21 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.20 2r96 h TYR 183 Cb 0.31 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 2r96 h TYR 183 CO -0.30 0.10 0.03 0.37 -1.64 0.00 0.00 178.16 176.72 2r96 h GLN 184 N 0.41 0.14 -0.68 1.82 4.15 0.04 -0.13 115.11 120.86 2r96 h GLN 184 Ca 0.31 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 2r96 h GLN 184 Cb 0.38 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 2r96 h GLN 184 CO -0.31 0.09 0.23 0.78 -1.93 0.00 0.00 178.83 177.69 2r96 h GLY 185 N 0.14 1.13 1.06 2.39 0.00 -0.65 -2.05 103.07 105.10 2r96 h GLY 185 Ca 0.23 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 2r96 h GLY 185 CO -0.36 0.61 -0.51 -2.09 0.00 0.00 0.00 176.54 174.19 2r96 h GLU 186 N 0.99 0.76 -0.11 4.80 4.81 -0.76 -1.84 114.58 123.24 2r96 h GLU 186 Ca 0.22 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2r96 h GLU 186 Cb 0.28 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2r96 h GLU 186 CO -0.01 1.13 0.03 -0.92 -0.73 0.00 0.00 179.01 178.52 2r96 h TYR 187 N 0.50 0.18 -0.02 0.92 3.20 -0.91 -0.08 116.97 120.76 2r96 h TYR 187 Ca 0.00 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.68 2r96 h TYR 187 Cb 1.13 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2r96 h TYR 187 CO 0.08 0.31 -0.76 -0.39 -1.64 0.00 0.00 178.16 175.76 2r96 h VAL 188 N -0.01 1.48 -0.49 1.81 -1.51 -1.39 -1.39 116.25 114.74 2r96 h VAL 188 Ca 0.03 -2.42 -0.10 0.00 -1.23 0.00 0.00 66.70 62.98 2r96 h VAL 188 Cb 0.22 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.67 2r96 h VAL 188 CO -0.00 0.70 -0.09 0.00 -1.23 0.00 0.00 177.57 176.95 2r96 h ALA 189 N 1.12 0.90 -0.41 5.19 0.00 -1.29 0.10 119.26 124.87 2r96 h ALA 189 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2r96 h ALA 189 Cb 1.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2r96 h ALA 189 CO 0.11 0.63 0.27 0.78 0.00 0.00 0.00 179.25 181.05 2r96 h GLY 190 N 0.97 0.58 1.60 0.00 0.00 -0.72 -0.68 103.07 104.82 2r96 h GLY 190 Ca 0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2r96 h GLY 190 CO 0.04 0.21 -0.41 -2.00 0.00 0.00 0.00 176.54 174.38 2r96 h LEU 191 N 0.56 0.47 -0.30 3.11 5.85 -1.02 0.92 115.31 124.91 2r96 h LEU 191 Ca 0.15 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2r96 h LEU 191 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2r96 h LEU 191 CO -0.03 0.83 0.19 0.00 -0.34 0.00 0.00 178.44 179.09 2r96 h ALA 192 N 1.19 0.38 -0.33 1.25 0.00 -0.43 -1.58 119.26 119.74 2r96 h ALA 192 Ca 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2r96 h ALA 192 Cb 0.88 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2r96 h ALA 192 CO 0.07 -0.14 -0.47 0.28 0.00 0.00 0.00 179.25 178.99 2r96 h VAL 193 N 0.40 1.27 -0.94 0.00 2.07 -0.73 -2.05 116.25 116.27 2r96 h VAL 193 Ca 0.11 -1.65 0.15 0.00 0.82 0.00 0.00 66.70 66.13 2r96 h VAL 193 Cb -0.03 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2r96 h VAL 193 CO -0.02 0.54 0.60 0.11 0.02 0.00 0.00 177.57 178.82 2r96 h LYS 194 N 0.71 0.73 -0.27 1.57 1.57 -0.73 -3.14 116.57 117.00 2r96 h LYS 194 Ca 0.04 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2r96 h LYS 194 Cb 1.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2r96 h LYS 194 CO 0.11 0.48 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.32 2r96 h LEU 195 N 0.75 0.41 0.00 2.94 3.38 -0.53 -3.45 115.31 118.81 2r96 h LEU 195 Ca 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2r96 h LEU 195 Cb 0.73 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2r96 h LEU 195 CO -0.24 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.41 2r96 n ASN 196 N -4.25 0.00 -0.44 -0.43 3.02 -1.19 -5.12 115.26 106.85 2r96 n ASN 196 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2r96 n ASN 196 Cb 0.28 0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.64 2r96 n ASN 196 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25