#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 3.38 -0.22 0.00 1.02 -1.26 0.15 119.74 122.82 2r96 s LYS 2 Ca 0.00 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 2r96 s LYS 2 Cb 0.00 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 2r96 s LYS 2 CO 0.00 -0.64 -0.02 0.08 -0.92 0.00 0.00 175.35 173.85 2r96 s VAL 3 N 2.04 3.66 -0.21 3.17 1.01 0.34 -0.39 120.40 130.01 2r96 s VAL 3 Ca 0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2r96 s VAL 3 Cb -0.17 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 2r96 s VAL 3 CO 0.12 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.53 2r96 s LEU 4 N 1.34 3.99 -0.44 3.92 2.96 0.10 -1.33 118.68 129.22 2r96 s LEU 4 Ca 0.04 0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 2r96 s LEU 4 Cb -0.14 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.55 2r96 s LEU 4 CO -0.00 0.12 0.35 -0.69 -1.32 0.00 0.00 176.35 174.81 2r96 s VAL 5 N 0.70 5.24 -0.22 1.68 1.01 0.36 -0.27 120.40 128.90 2r96 s VAL 5 Ca 0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2r96 s VAL 5 Cb -0.13 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2r96 s VAL 5 CO 0.01 -0.45 -0.11 -0.22 0.00 0.00 0.00 175.10 174.34 2r96 s LEU 6 N 1.67 2.79 0.08 3.92 2.96 -0.24 -0.89 118.68 128.97 2r96 s LEU 6 Ca 0.05 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2r96 s LEU 6 Cb -0.22 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2r96 s LEU 6 CO 0.08 -0.07 -0.05 -0.72 -1.32 0.00 0.00 176.35 174.28 2r96 s TYR 7 N 1.33 0.74 -0.07 5.38 -0.85 -0.79 -1.31 117.35 121.79 2r96 s TYR 7 Ca 0.02 -0.95 0.03 0.00 -0.52 0.00 0.00 57.07 55.66 2r96 s TYR 7 Cb -0.15 -0.46 -0.02 0.00 0.38 0.00 0.00 41.96 41.71 2r96 s TYR 7 CO -0.07 -0.23 -0.16 -0.47 -1.52 0.00 0.00 175.55 173.10 2r96 s TYR 8 N -3.63 2.68 -0.08 -3.49 5.04 -0.27 -1.86 117.35 115.75 2r96 s TYR 8 Ca 0.09 -0.33 -0.06 0.00 -2.44 0.00 0.00 57.07 54.33 2r96 s TYR 8 Cb 0.06 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.73 2r96 s TYR 8 CO -0.06 0.05 0.20 0.45 -1.34 0.00 0.00 175.55 174.85 2r96 s SER 9 N -0.45 -0.20 -0.24 4.32 0.15 -1.26 -3.99 113.70 112.03 2r96 s SER 9 Ca 0.05 0.40 -0.09 0.00 0.70 0.00 0.00 55.95 57.01 2r96 s SER 9 Cb -0.12 0.38 -0.16 0.00 -1.71 0.00 0.00 66.02 64.41 2r96 s SER 9 CO 0.02 -0.09 -0.15 0.80 1.20 0.00 0.00 173.24 175.02 2r96 n MET 10 N 3.28 0.62 -0.07 5.44 1.56 -1.26 -4.66 117.12 122.03 2r96 n MET 10 Ca -0.16 0.28 0.05 0.00 -0.27 0.00 0.00 57.70 57.60 2r96 n MET 10 Cb 0.57 -1.56 0.08 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 -3.89 0.17 -0.07 1.12 4.01 -1.26 -0.95 117.16 116.29 2r96 n TYR 11 Ca -0.46 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 2r96 n TYR 11 Cb 0.91 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 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 0.56 0.53 0.35 2.72 0.00 -1.26 -4.87 105.19 103.22 2r96 n GLY 12 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.78 -0.79 1.61 3.86 -1.95 0.93 115.15 118.02 2r96 h HIS 13 Ca 0.00 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2r96 h HIS 13 Cb 0.00 0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 2r96 h HIS 13 CO 0.00 -0.49 0.52 0.82 0.86 0.00 0.00 177.93 179.64 2r96 h ILE 14 N -0.85 1.09 -0.12 2.45 1.08 -1.93 -1.75 117.51 117.47 2r96 h ILE 14 Ca -0.09 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2r96 h ILE 14 Cb 0.65 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2r96 h ILE 14 CO 0.14 0.17 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.61 2r96 h GLU 15 N 0.93 -0.08 -0.84 2.37 4.81 -1.73 0.31 114.58 120.35 2r96 h GLU 15 Ca 0.33 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 2r96 h GLU 15 Cb 0.12 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 2r96 h GLU 15 CO -0.10 -0.05 0.52 1.15 -0.73 0.00 0.00 179.01 179.80 2r96 h THR 16 N -0.08 1.06 -0.69 0.32 2.02 -0.28 -2.18 112.91 113.07 2r96 h THR 16 Ca 0.07 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2r96 h THR 16 Cb 0.19 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2r96 h THR 16 CO -0.17 0.18 0.29 0.24 0.37 0.00 0.00 175.52 176.42 2r96 h MET 17 N 0.97 1.02 -0.55 6.66 2.86 -0.57 -2.18 114.93 123.14 2r96 h MET 17 Ca 0.36 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2r96 h MET 17 Cb 0.13 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2r96 h MET 17 CO -0.16 0.84 0.36 0.00 1.06 0.00 0.00 176.91 179.01 2r96 h ALA 18 N 1.13 0.69 -0.70 6.32 0.00 0.18 0.11 119.26 127.00 2r96 h ALA 18 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2r96 h ALA 18 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2r96 h ALA 18 CO -0.02 0.13 0.44 0.00 0.00 0.00 0.00 179.25 179.80 2r96 h ARG 19 N 0.74 0.84 -0.24 0.00 2.47 -1.18 0.26 114.38 117.26 2r96 h ARG 19 Ca 0.20 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 2r96 h ARG 19 Cb -0.09 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.03 2r96 h ARG 19 CO -0.04 0.56 0.12 0.00 0.56 0.00 0.00 179.97 181.17 2r96 h ALA 20 N 1.30 0.31 -0.72 0.04 0.00 -0.74 0.16 119.26 119.60 2r96 h ALA 20 Ca 0.28 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2r96 h ALA 20 Cb 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2r96 h ALA 20 CO -0.10 -0.14 0.36 0.28 0.00 0.00 0.00 179.25 179.65 2r96 h VAL 21 N 0.27 0.85 -0.38 0.00 2.07 -0.11 -1.47 116.25 117.47 2r96 h VAL 21 Ca 0.08 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 2r96 h VAL 21 Cb 0.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2r96 h VAL 21 CO -0.01 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.48 2r96 h ALA 22 N 1.43 0.91 -0.41 1.67 0.00 0.11 -0.95 119.26 122.03 2r96 h ALA 22 Ca 0.36 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2r96 h ALA 22 Cb 0.38 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2r96 h ALA 22 CO -0.27 0.62 -0.02 1.49 0.00 0.00 0.00 179.25 181.07 2r96 h GLU 23 N 0.66 0.08 -0.25 0.00 4.81 -0.18 -0.36 114.58 119.34 2r96 h GLU 23 Ca 0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2r96 h GLU 23 Cb 0.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2r96 h GLU 23 CO 0.05 0.06 0.01 0.78 -0.73 0.00 0.00 179.01 179.18 2r96 h GLY 24 N 0.09 0.46 1.39 1.92 0.00 -0.97 -2.90 103.07 103.07 2r96 h GLY 24 Ca 0.20 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2r96 h GLY 24 CO -0.35 0.31 0.31 0.00 0.00 0.00 0.00 176.54 176.81 2r96 h ALA 25 N 0.82 1.83 0.00 3.60 0.00 -0.80 -2.26 119.26 122.46 2r96 h ALA 25 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2r96 h ALA 25 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2r96 h ALA 25 CO 0.01 0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.79 2r96 n SER 26 N -4.48 0.35 0.15 0.00 7.64 -0.18 -2.58 113.62 114.53 2r96 n SER 26 Ca 0.06 0.55 0.13 0.00 1.01 0.00 0.00 58.87 60.61 2r96 n SER 26 Cb 0.18 -0.64 0.52 0.00 -1.01 0.00 0.00 64.21 63.26 2r96 n SER 26 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2r96 h LYS 27 N 0.00 0.00 -5.65 1.43 1.79 -1.39 -3.43 116.57 109.32 2r96 h LYS 27 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2r96 h LYS 27 Cb 0.50 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.06 2r96 h LYS 27 CO 0.00 0.00 0.12 0.08 -1.08 0.00 0.00 179.45 178.57 2r96 s VAL 28 N -3.36 5.02 0.19 0.50 1.01 -1.06 -5.04 120.40 117.65 2r96 s VAL 28 Ca 0.04 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 2r96 s VAL 28 Cb 0.09 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2r96 s VAL 28 CO 0.42 0.11 1.29 -1.81 0.00 0.00 0.00 175.10 175.11 2r96 s ASP 29 N 1.21 6.93 0.00 3.32 1.01 -1.26 -2.93 116.67 124.95 2r96 s ASP 29 Ca 0.28 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.91 2r96 s ASP 29 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2r96 s ASP 29 CO 0.10 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.59 2r96 n GLY 30 N 2.38 0.70 3.50 0.21 0.00 -1.26 -5.03 105.19 105.69 2r96 n GLY 30 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.59 3.46 -0.29 4.61 0.00 -1.15 -4.44 121.76 121.37 2r96 s ALA 31 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 2r96 s ALA 31 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2r96 s ALA 31 CO 0.00 -1.40 0.85 -2.00 0.00 0.00 0.00 175.76 173.21 2r96 s GLU 32 N 2.00 4.05 -0.10 0.00 2.12 0.40 -4.87 118.70 122.29 2r96 s GLU 32 Ca 0.10 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.24 2r96 s GLU 32 Cb -0.17 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.50 2r96 s GLU 32 CO 0.12 -0.67 -0.19 0.54 -0.54 0.00 0.00 175.26 174.53 2r96 s VAL 33 N 3.03 2.57 -0.00 3.70 0.11 -1.26 -0.50 120.40 128.05 2r96 s VAL 33 Ca 0.35 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 2r96 s VAL 33 Cb -0.14 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.68 2r96 s VAL 33 CO 0.11 0.55 -0.12 0.54 -3.33 0.00 0.00 175.10 172.86 2r96 s VAL 34 N 0.12 0.92 -0.20 2.04 0.11 -0.44 -4.99 120.40 117.95 2r96 s VAL 34 Ca -0.09 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2r96 s VAL 34 Cb -0.15 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2r96 s VAL 34 CO 0.06 0.20 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.28 2r96 s VAL 35 N -0.38 3.43 0.06 2.04 1.01 -1.26 -0.48 120.40 124.81 2r96 s VAL 35 Ca 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2r96 s VAL 35 Cb -0.05 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2r96 s VAL 35 CO -0.00 0.45 -0.08 -0.54 0.00 0.00 0.00 175.10 174.93 2r96 s LYS 36 N 1.13 0.65 0.18 2.72 1.02 -0.06 -4.37 119.74 121.00 2r96 s LYS 36 Ca 0.02 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.11 2r96 s LYS 36 Cb -0.15 -0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 2r96 s LYS 36 CO -0.01 0.04 0.13 -0.98 -0.92 0.00 0.00 175.35 173.61 2r96 s ARG 37 N -2.31 2.82 0.54 1.68 1.70 -0.47 -1.88 118.95 121.04 2r96 s ARG 37 Ca -0.02 -0.94 -0.10 0.00 -0.47 0.00 0.00 55.73 54.19 2r96 s ARG 37 Cb -0.05 -2.58 -0.05 0.00 -0.57 0.00 0.00 34.95 31.70 2r96 s ARG 37 CO -0.01 0.46 0.93 0.14 -1.08 0.00 0.00 175.30 175.75 2r96 s VAL 38 N -1.83 4.74 0.30 4.99 -7.23 -0.78 -0.71 120.40 119.88 2r96 s VAL 38 Ca 0.31 0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 60.92 2r96 s VAL 38 Cb -0.09 -3.83 -0.11 0.00 0.56 0.00 0.00 36.38 32.90 2r96 s VAL 38 CO 0.23 -0.93 1.61 -2.84 -0.31 0.00 0.00 175.10 172.86 2r96 s PRO 39 N -4.73 4.11 0.52 4.82 0.02 -1.26 -4.89 135.00 133.58 2r96 s PRO 39 Ca 0.53 2.60 -0.22 0.00 0.02 0.00 0.00 61.00 63.93 2r96 s PRO 39 Cb -0.11 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 2r96 s PRO 39 CO 0.45 -0.65 1.32 -2.00 -0.33 0.00 0.00 177.00 175.79 2r96 s GLU 40 N -0.54 3.31 -0.10 5.54 2.56 -1.26 -4.91 118.70 123.30 2r96 s GLU 40 Ca 0.63 2.14 0.10 0.00 0.00 0.00 0.00 54.97 57.85 2r96 s GLU 40 Cb -0.48 -2.31 -0.14 0.00 2.00 0.00 0.00 34.13 33.20 2r96 s GLU 40 CO 0.49 -1.03 0.06 2.41 -0.56 0.00 0.00 175.26 176.63 2r96 n THR 41 N -0.86 0.66 -2.77 -1.70 -1.04 -1.26 -4.96 114.28 102.36 2r96 n THR 41 Ca 0.09 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 2r96 n THR 41 Cb 0.45 -0.62 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.31 4.67 0.31 -2.82 0.23 -1.26 -4.99 119.30 113.13 2r96 s MET 42 Ca -0.05 1.40 -0.26 0.00 -1.03 0.00 0.00 55.69 55.74 2r96 s MET 42 Cb 0.04 -3.37 -0.14 0.00 -1.53 0.00 0.00 34.83 29.82 2r96 s MET 42 CO 0.44 0.23 0.76 -0.35 -2.03 0.00 0.00 175.02 174.07 2r96 n PRO 43 N 2.77 0.82 -0.18 3.16 -0.04 -1.26 -4.66 135.00 135.61 2r96 n PRO 43 Ca 0.02 0.29 0.17 0.00 -0.04 0.00 0.00 63.50 63.94 2r96 n PRO 43 Cb 0.49 -1.56 0.53 0.00 -0.04 0.00 0.00 33.50 32.92 2r96 n PRO 43 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2r96 h PRO 44 N 1.39 0.35 0.09 0.54 0.11 -1.99 -1.97 132.00 130.53 2r96 h PRO 44 Ca -0.37 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.73 2r96 h PRO 44 Cb 1.38 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2r96 h PRO 44 CO 0.57 0.23 -0.16 1.96 -0.21 0.00 0.00 178.00 180.40 2r96 h GLN 45 N 0.36 -0.30 -0.53 1.05 7.50 -2.00 -1.08 115.11 120.12 2r96 h GLN 45 Ca 0.39 0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.48 2r96 h GLN 45 Cb 1.00 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.57 2r96 h GLN 45 CO -0.12 -0.20 -0.02 -0.07 -1.50 0.00 0.00 178.83 176.92 2r96 h LEU 46 N -0.31 0.89 0.25 1.46 4.07 -1.71 -0.59 115.31 119.37 2r96 h LEU 46 Ca 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2r96 h LEU 46 Cb 0.32 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 2r96 h LEU 46 CO -0.08 0.97 -0.25 0.15 -1.08 0.00 0.00 178.44 178.15 2r96 h PHE 47 N 0.84 -0.66 -0.29 1.13 3.57 -1.42 -2.06 116.94 118.05 2r96 h PHE 47 Ca 0.15 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2r96 h PHE 47 Cb 0.53 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2r96 h PHE 47 CO 0.03 -0.36 0.15 0.93 -2.23 0.00 0.00 178.31 176.83 2r96 h GLU 48 N -0.53 0.30 0.00 1.11 4.39 -1.02 -1.40 114.58 117.43 2r96 h GLU 48 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2r96 h GLU 48 Cb 0.49 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2r96 h GLU 48 CO -0.06 0.20 0.00 1.57 -1.16 0.00 0.00 179.01 179.56 2r96 h LYS 49 N 0.31 0.00 -0.00 2.33 5.09 -0.90 -2.72 116.57 120.67 2r96 h LYS 49 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.86 2r96 h LYS 49 Cb 0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.36 2r96 h LYS 49 CO -0.08 0.00 -0.09 0.00 -2.09 0.00 0.00 179.45 177.19 2r96 n ALA 50 N -1.85 2.53 -1.55 0.07 0.00 -0.79 -5.08 120.51 113.83 2r96 n ALA 50 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2r96 n ALA 50 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.63 1.16 0.00 0.00 0.00 -0.59 -5.02 105.19 101.37 2r96 n GLY 51 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 5.00 -2.21 3.15 -0.02 0.00 -1.26 -5.01 105.19 104.84 2r96 n GLY 52 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2r96 n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2r96 s LYS 53 N 0.00 2.77 0.34 1.61 2.20 -0.13 -4.79 119.74 121.75 2r96 s LYS 53 Ca 0.00 -0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 54.57 2r96 s LYS 53 Cb 0.00 -2.21 -0.09 0.00 -1.51 0.00 0.00 37.83 34.02 2r96 s LYS 53 CO 0.00 0.04 1.13 0.95 -0.36 0.00 0.00 175.35 177.11 2r96 s THR 54 N 0.69 3.34 -0.04 3.43 -4.23 -1.26 -4.89 115.64 112.68 2r96 s THR 54 Ca -0.11 1.22 0.07 0.00 -1.18 0.00 0.00 61.69 61.68 2r96 s THR 54 Cb -0.16 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 2r96 s THR 54 CO 0.02 0.19 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.95 2r96 s GLN 55 N -1.94 2.22 0.18 3.99 -1.52 -1.26 -5.03 119.66 116.30 2r96 s GLN 55 Ca 0.51 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 2r96 s GLN 55 Cb -0.31 -2.02 0.06 0.00 -0.22 0.00 0.00 33.01 30.53 2r96 s GLN 55 CO 0.39 0.46 1.43 1.15 -0.25 0.00 0.00 175.29 178.47 2r96 h THR 56 N 4.78 1.41 -3.95 -0.19 2.02 -2.03 -3.47 112.91 111.48 2r96 h THR 56 Ca -0.37 -2.25 -0.54 0.00 0.77 0.00 0.00 66.41 64.02 2r96 h THR 56 Cb 1.15 2.20 0.11 0.00 -1.74 0.00 0.00 68.15 69.87 2r96 h THR 56 CO 0.47 0.67 0.78 0.00 0.37 0.00 0.00 175.52 177.81 2r96 s ALA 57 N -3.52 3.57 0.51 6.16 0.00 -1.26 -4.94 121.76 122.28 2r96 s ALA 57 Ca -0.05 1.59 -0.23 0.00 0.00 0.00 0.00 51.96 53.27 2r96 s ALA 57 Cb 0.10 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2r96 s ALA 57 CO 0.83 -1.08 1.32 -2.14 0.00 0.00 0.00 175.76 174.70 2r96 s PRO 58 N -2.12 3.38 0.08 0.00 0.02 -1.26 -4.60 135.00 130.50 2r96 s PRO 58 Ca 0.53 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 63.44 2r96 s PRO 58 Cb -0.47 -2.37 -0.06 0.00 0.02 0.00 0.00 34.50 31.63 2r96 s PRO 58 CO 0.64 -0.98 0.85 0.14 -0.33 0.00 0.00 177.00 177.32 2r96 s VAL 59 N -1.34 4.60 0.28 3.83 -7.23 -1.26 -1.37 120.40 117.92 2r96 s VAL 59 Ca 0.68 1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 62.57 2r96 s VAL 59 Cb -0.38 -4.21 -0.08 0.00 0.56 0.00 0.00 36.38 32.27 2r96 s VAL 59 CO 0.46 0.35 0.63 0.00 -0.31 0.00 0.00 175.10 176.24 2r96 s ALA 60 N -0.11 3.47 0.06 1.32 0.00 0.11 -4.90 121.76 121.72 2r96 s ALA 60 Ca 0.42 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 2r96 s ALA 60 Cb -0.22 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 2r96 s ALA 60 CO 0.26 0.39 0.29 0.95 0.00 0.00 0.00 175.76 177.65 2r96 s THR 61 N -1.93 5.28 0.29 0.00 -4.23 -1.26 -4.65 115.64 109.14 2r96 s THR 61 Ca 0.50 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.05 2r96 s THR 61 Cb -0.11 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.42 2r96 s THR 61 CO 0.21 0.22 1.72 -0.65 -0.54 0.00 0.00 174.62 175.58 2r96 h PRO 62 N 3.44 0.50 -0.87 3.99 0.11 -1.91 -2.64 132.00 134.62 2r96 h PRO 62 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 2r96 h PRO 62 Cb 1.18 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2r96 h PRO 62 CO 0.70 0.33 0.56 1.96 -0.21 0.00 0.00 178.00 181.34 2r96 h GLN 63 N 0.51 1.05 -1.15 1.05 7.50 -1.94 -2.60 115.11 119.53 2r96 h GLN 63 Ca 0.56 -0.06 0.32 0.00 0.50 0.00 0.00 58.65 59.97 2r96 h GLN 63 Cb 1.00 -0.24 -0.09 0.00 0.05 0.00 0.00 27.48 28.21 2r96 h GLN 63 CO -0.47 0.70 0.77 0.93 -1.50 0.00 0.00 178.83 179.25 2r96 h GLU 64 N 1.09 0.21 -0.31 1.46 5.08 -1.88 -1.65 114.58 118.58 2r96 h GLU 64 Ca 0.35 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 2r96 h GLU 64 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2r96 h GLU 64 CO -0.12 0.14 0.23 -0.07 -1.00 0.00 0.00 179.01 178.19 2r96 h LEU 65 N 0.22 0.00 -2.31 1.33 3.38 -1.60 0.23 115.31 116.56 2r96 h LEU 65 Ca 0.63 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.62 2r96 h LEU 65 Cb 1.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 2r96 h LEU 65 CO -0.23 0.00 0.07 0.00 0.09 0.00 0.00 178.44 178.38 2r96 h ALA 66 N 1.84 1.71 -0.00 1.53 0.00 -1.51 -2.69 119.26 120.14 2r96 h ALA 66 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2r96 h ALA 66 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2r96 h ALA 66 CO -0.00 -0.11 -0.01 -0.25 0.00 0.00 0.00 179.25 178.88 2r96 n ASP 67 N -3.96 0.11 -4.62 0.00 8.00 0.82 -4.87 116.55 112.02 2r96 n ASP 67 Ca -0.01 -0.82 -0.27 0.00 0.71 0.00 0.00 54.79 54.39 2r96 n ASP 67 Cb 0.17 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.15 2.78 -0.09 1.24 2.02 -1.02 -4.90 117.35 115.23 2r96 s TYR 68 Ca 0.42 -0.16 0.15 0.00 -0.37 0.00 0.00 57.07 57.12 2r96 s TYR 68 Cb 0.21 -1.37 -0.16 0.00 -0.40 0.00 0.00 41.96 40.24 2r96 s TYR 68 CO 0.39 0.50 0.79 -0.44 -1.57 0.00 0.00 175.55 175.22 2r96 h ASP 69 N 2.98 0.00 -3.72 2.29 3.32 -1.04 -3.47 116.42 116.77 2r96 h ASP 69 Ca -0.47 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 2r96 h ASP 69 Cb 1.19 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.47 2r96 h ASP 69 CO 0.56 0.71 -0.56 0.00 -1.72 0.00 0.00 179.24 178.23 2r96 s ALA 70 N -2.82 -0.33 -0.09 3.45 0.00 -0.92 -2.26 121.76 118.78 2r96 s ALA 70 Ca -0.03 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2r96 s ALA 70 Cb 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2r96 s ALA 70 CO 0.81 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 176.79 2r96 s ILE 71 N 0.27 1.26 -0.21 0.00 1.01 0.04 -0.72 121.20 122.85 2r96 s ILE 71 Ca -0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2r96 s ILE 71 Cb -0.03 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2r96 s ILE 71 CO -0.01 0.39 -0.04 -0.63 0.00 0.00 0.00 174.94 174.65 2r96 s ILE 72 N 1.00 3.47 -0.17 2.92 1.01 0.62 -2.12 121.20 127.92 2r96 s ILE 72 Ca -0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2r96 s ILE 72 Cb -0.15 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2r96 s ILE 72 CO -0.01 0.43 -0.02 -0.36 0.00 0.00 0.00 174.94 174.98 2r96 s PHE 73 N 1.35 3.05 -0.03 3.97 0.08 0.17 -1.08 117.98 125.50 2r96 s PHE 73 Ca 0.04 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 56.86 2r96 s PHE 73 Cb -0.14 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2r96 s PHE 73 CO -0.02 -0.08 -0.24 0.20 -0.10 0.00 0.00 175.22 174.99 2r96 s GLY 74 N 0.55 1.32 -0.08 4.36 0.00 -0.43 -0.33 107.32 112.71 2r96 s GLY 74 Ca -0.02 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 2r96 s GLY 74 CO 0.02 -0.88 0.38 -1.59 0.00 0.00 0.00 173.10 171.03 2r96 s THR 75 N -0.60 0.03 0.60 0.90 2.01 -0.81 -1.11 115.64 116.66 2r96 s THR 75 Ca 0.09 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.70 2r96 s THR 75 Cb -0.10 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 2r96 s THR 75 CO -0.00 -0.12 1.13 -2.16 -0.69 0.00 0.00 174.62 172.78 2r96 s PRO 76 N -0.59 3.05 0.55 4.92 0.04 -1.26 -2.60 135.00 139.11 2r96 s PRO 76 Ca -0.07 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2r96 s PRO 76 Cb -0.04 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2r96 s PRO 76 CO 0.03 -1.08 1.07 -0.08 0.04 0.00 0.00 177.00 176.98 2r96 s THR 77 N -1.99 3.61 -0.35 1.26 -1.32 0.79 -3.13 115.64 114.51 2r96 s THR 77 Ca 0.71 0.89 0.02 0.00 -1.21 0.00 0.00 61.69 62.10 2r96 s THR 77 Cb -0.23 -3.36 0.11 0.00 -1.51 0.00 0.00 72.50 67.51 2r96 s THR 77 CO 0.34 -0.33 0.11 -0.13 -2.21 0.00 0.00 174.62 172.40 2r96 s ARG 78 N -3.63 1.15 -1.39 7.08 1.81 0.27 -4.84 118.95 119.41 2r96 s ARG 78 Ca 0.67 -1.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.07 2r96 s ARG 78 Cb -0.18 -2.55 0.01 0.00 -0.45 0.00 0.00 34.95 31.78 2r96 s ARG 78 CO 0.29 -1.00 0.57 1.19 -0.68 0.00 0.00 175.30 175.67 2r96 n PHE 79 N 4.33 -1.78 -1.00 -0.53 3.72 -1.26 -1.84 117.46 119.09 2r96 n PHE 79 Ca 0.02 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 2r96 n PHE 79 Cb 0.40 -3.98 0.00 0.00 -0.94 0.00 0.00 39.48 34.96 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 -1.79 0.65 3.67 1.37 0.00 -1.26 -5.04 105.19 102.79 2r96 n GLY 80 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.31 4.02 0.92 1.61 -0.87 -0.77 -3.46 114.94 114.09 2r96 s ASN 81 Ca 0.00 -1.37 -0.10 0.00 -1.57 0.00 0.00 52.86 49.82 2r96 s ASN 81 Cb 0.00 -0.24 0.13 0.00 -0.02 0.00 0.00 41.25 41.12 2r96 s ASN 81 CO 0.00 -0.55 1.04 1.15 -2.57 0.00 0.00 177.10 176.17 2r96 n MET 82 N -1.08 -0.43 -1.51 -0.60 0.00 -1.26 -0.57 117.12 111.67 2r96 n MET 82 Ca -0.07 -0.06 -0.33 0.00 0.00 0.00 0.00 57.70 57.24 2r96 n MET 82 Cb 0.67 -2.30 0.08 0.00 0.00 0.00 0.00 33.22 31.66 2r96 n MET 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2r96 s SER 83 N -2.54 4.58 0.50 3.17 1.04 -1.18 -4.32 113.70 114.95 2r96 s SER 83 Ca 0.66 2.09 0.15 0.00 0.48 0.00 0.00 55.95 59.33 2r96 s SER 83 Cb -0.23 -2.56 1.20 0.00 0.10 0.00 0.00 66.02 64.53 2r96 s SER 83 CO 0.59 -1.99 2.13 1.23 0.98 0.00 0.00 173.24 176.18 2r96 h GLY 84 N -0.38 0.08 1.71 7.32 0.00 -1.93 -0.43 103.07 109.45 2r96 h GLY 84 Ca -0.46 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 46.64 2r96 h GLY 84 CO 0.51 0.03 -0.84 0.06 0.00 0.00 0.00 176.54 176.30 2r96 h GLN 85 N 0.08 0.26 -0.36 4.80 -0.00 -1.91 0.88 115.11 118.86 2r96 h GLN 85 Ca 0.02 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.28 2r96 h GLN 85 Cb 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 2r96 h GLN 85 CO -0.00 0.96 -0.28 1.98 -0.00 0.00 0.00 178.83 181.49 2r96 h MET 86 N 0.16 0.74 0.25 0.06 4.05 -1.77 -1.43 114.93 116.99 2r96 h MET 86 Ca -0.04 -0.32 -0.01 0.00 -0.28 0.00 0.00 59.70 59.04 2r96 h MET 86 Cb 1.45 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.23 2r96 h MET 86 CO 0.13 0.93 -0.12 -0.09 0.23 0.00 0.00 176.91 178.00 2r96 h ARG 87 N 0.64 -0.32 -0.74 0.39 9.65 -0.98 -0.93 114.38 122.09 2r96 h ARG 87 Ca 0.08 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.12 2r96 h ARG 87 Cb 0.79 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.35 2r96 h ARG 87 CO 0.07 -0.04 0.29 1.15 2.80 0.00 0.00 179.97 184.23 2r96 h THR 88 N -0.59 0.67 -0.31 0.20 2.02 -0.81 0.58 112.91 114.66 2r96 h THR 88 Ca -0.03 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2r96 h THR 88 Cb 0.43 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2r96 h THR 88 CO 0.06 0.08 0.13 0.15 0.37 0.00 0.00 175.52 176.31 2r96 h PHE 89 N 0.44 0.46 0.00 3.16 3.57 -1.04 -2.90 116.94 120.63 2r96 h PHE 89 Ca 0.40 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 2r96 h PHE 89 Cb 0.60 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2r96 h PHE 89 CO -0.17 0.43 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.80 2r96 h LEU 90 N 0.35 0.00 -0.90 0.59 3.38 -0.26 -1.53 115.31 116.94 2r96 h LEU 90 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2r96 h LEU 90 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2r96 h LEU 90 CO -0.01 0.47 0.02 0.47 0.09 0.00 0.00 178.44 179.48 2r96 n ASP 91 N -3.88 0.35 -0.67 -0.43 10.43 0.11 -1.43 116.55 121.03 2r96 n ASP 91 Ca -0.01 0.65 0.12 0.00 2.57 0.00 0.00 54.79 58.12 2r96 n ASP 91 Cb 0.50 -0.69 0.36 0.00 1.84 0.00 0.00 41.12 43.13 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 -1.97 1.90 -0.55 -1.24 1.13 -0.58 -4.31 117.38 111.76 2r96 n GLN 92 Ca -0.01 -1.34 0.05 0.00 -1.94 0.00 0.00 57.00 53.77 2r96 n GLN 92 Cb 0.04 -1.44 0.27 0.00 0.11 0.00 0.00 30.24 29.22 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 0.58 1.66 -0.16 5.09 -2.24 -0.51 -4.44 114.28 114.26 2r96 n THR 93 Ca 0.17 -0.91 -0.02 0.00 -2.27 0.00 0.00 64.05 61.02 2r96 n THR 93 Cb 0.41 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 4.45 0.60 0.69 3.38 0.00 -1.80 0.04 103.07 110.43 2r96 h GLY 94 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2r96 h GLY 94 CO 0.27 -0.07 -0.20 -1.33 0.00 0.00 0.00 176.54 175.21 2r96 h GLY 95 N 0.23 -0.39 -0.11 4.60 0.00 -1.96 -0.67 103.07 104.77 2r96 h GLY 95 Ca 0.25 0.23 0.15 0.00 0.00 0.00 0.00 47.33 47.95 2r96 h GLY 95 CO -0.33 -0.19 0.06 1.41 0.00 0.00 0.00 176.54 177.49 2r96 h LEU 96 N -0.40 -0.19 -0.72 3.11 3.38 -1.83 -2.04 115.31 116.62 2r96 h LEU 96 Ca 0.02 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2r96 h LEU 96 Cb 0.40 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2r96 h LEU 96 CO -0.09 -0.10 0.29 -0.25 0.09 0.00 0.00 178.44 178.38 2r96 h TRP 97 N 0.16 1.10 0.00 1.13 7.01 -0.35 -0.48 115.95 124.53 2r96 h TRP 97 Ca 0.37 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 61.20 2r96 h TRP 97 Cb 0.61 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2r96 h TRP 97 CO -0.34 0.84 -0.41 0.00 -2.79 0.00 0.00 178.44 175.75 2r96 h ALA 98 N 1.14 1.20 -0.02 2.65 0.00 -0.44 -2.52 119.26 121.27 2r96 h ALA 98 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2r96 h ALA 98 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2r96 h ALA 98 CO -0.02 0.51 -0.10 -1.13 0.00 0.00 0.00 179.25 178.50 2r96 n SER 99 N -3.87 2.36 -0.76 0.00 3.41 -0.97 -4.95 113.62 108.84 2r96 n SER 99 Ca -0.01 -1.73 -0.07 0.00 -0.26 0.00 0.00 58.87 56.80 2r96 n SER 99 Cb 0.46 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.32 0.31 0.23 5.00 0.00 -0.82 -4.94 105.19 106.29 2r96 n GLY 100 Ca 0.14 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 0.25 1.75 -0.15 4.61 0.00 -1.36 -2.48 119.26 121.88 2r96 h ALA 101 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2r96 h ALA 101 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2r96 h ALA 101 CO 0.21 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2r96 n LEU 102 N -4.35 2.77 -4.66 0.00 4.77 -1.26 -4.79 117.00 109.47 2r96 n LEU 102 Ca -0.03 -1.22 -0.47 0.00 -0.03 0.00 0.00 56.01 54.27 2r96 n LEU 102 Cb 0.22 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2r96 n LEU 102 CO 0.36 0.54 1.16 0.00 -1.33 0.00 0.00 177.39 178.12 2r96 n TYR 103 N 1.08 2.18 -0.56 -1.77 9.36 -0.94 -1.57 117.16 124.94 2r96 n TYR 103 Ca 0.13 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.66 2r96 n TYR 103 Cb 0.48 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 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 3.30 1.22 3.82 2.98 0.00 0.81 -4.93 105.19 112.40 2r96 n GLY 104 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.18 4.03 0.21 1.61 1.02 -0.61 -4.47 119.74 121.35 2r96 s LYS 105 Ca 0.00 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 2r96 s LYS 105 Cb 0.00 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 2r96 s LYS 105 CO 0.00 -0.21 1.12 -0.51 -0.92 0.00 0.00 175.35 174.84 2r96 s LEU 106 N -3.45 4.50 0.03 3.17 1.43 -0.96 -0.97 118.68 122.43 2r96 s LEU 106 Ca 0.63 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.93 2r96 s LEU 106 Cb -0.11 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2r96 s LEU 106 CO 0.19 -0.23 -0.09 0.00 0.23 0.00 0.00 176.35 176.44 2r96 s ALA 107 N -0.46 0.76 -0.04 4.21 0.00 -0.00 -0.78 121.76 125.45 2r96 s ALA 107 Ca 0.49 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2r96 s ALA 107 Cb -0.31 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.76 2r96 s ALA 107 CO 0.37 0.11 0.40 0.45 0.00 0.00 0.00 175.76 177.09 2r96 s SER 108 N -1.01 -0.32 0.10 0.00 0.15 -0.90 0.29 113.70 112.01 2r96 s SER 108 Ca -0.02 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2r96 s SER 108 Cb -0.07 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2r96 s SER 108 CO 0.01 -0.46 -0.20 0.54 1.20 0.00 0.00 173.24 174.33 2r96 s VAL 109 N -1.16 1.63 0.06 4.45 0.11 -1.26 0.46 120.40 124.69 2r96 s VAL 109 Ca -0.12 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 57.42 2r96 s VAL 109 Cb -0.04 -1.50 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 2r96 s VAL 109 CO 0.05 -0.10 -0.06 0.72 -3.33 0.00 0.00 175.10 172.39 2r96 s PHE 110 N -1.22 0.69 0.02 1.54 -0.71 0.55 -4.13 117.98 114.72 2r96 s PHE 110 Ca 0.06 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2r96 s PHE 110 Cb -0.10 -0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 41.29 2r96 s PHE 110 CO 0.04 -0.16 0.02 -1.13 -1.34 0.00 0.00 175.22 172.65 2r96 n SER 111 N 0.70 -0.06 -3.69 1.98 3.41 -0.76 -1.92 113.62 113.28 2r96 n SER 111 Ca -0.17 -1.12 -0.14 0.00 -0.26 0.00 0.00 58.87 57.18 2r96 n SER 111 Cb 0.58 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.13 -0.45 0.17 4.04 0.15 -1.07 -2.20 113.70 113.21 2r96 s SER 112 Ca 0.02 0.68 -0.04 0.00 0.70 0.00 0.00 55.95 57.32 2r96 s SER 112 Cb 0.00 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2r96 s SER 112 CO 0.01 -0.33 0.16 0.42 1.20 0.00 0.00 173.24 174.71 2r96 s THR 113 N -0.46 0.05 0.00 6.45 -4.23 -1.05 -0.15 115.64 116.25 2r96 s THR 113 Ca -0.06 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2r96 s THR 113 Cb -0.03 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2r96 s THR 113 CO 0.03 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 2r96 n GLY 114 N -0.21 0.00 0.00 3.99 0.00 -1.26 -0.67 105.19 107.04 2r96 n GLY 114 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2r96 n GLY 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2r96 n THR 115 N 0.00 0.00 0.00 2.61 -1.04 -1.26 0.25 114.28 114.84 2r96 n THR 115 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2r96 n THR 115 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2r96 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r96 n GLY 116 N 0.00 2.89 3.68 3.41 0.00 -1.26 -5.02 105.19 108.89 2r96 n GLY 116 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.97 1.44 0.00 -0.02 0.00 -1.26 -2.29 107.32 104.22 2r96 s GLY 117 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2r96 s GLY 117 CO 0.00 3.21 0.00 0.61 0.00 0.00 0.00 173.10 176.92 2r96 n GLY 118 N 4.30 0.46 0.21 0.20 0.00 -1.26 -4.70 105.19 104.39 2r96 n GLY 118 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 4.79 0.04 0.09 1.61 3.07 -1.84 -1.26 115.11 121.62 2r96 h GLN 119 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.59 2r96 h GLN 119 Cb 0.00 -0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.57 2r96 h GLN 119 CO 0.00 0.30 -0.58 0.93 0.09 0.00 0.00 178.83 179.57 2r96 h GLU 120 N 0.04 0.23 0.00 0.06 5.08 -1.93 -3.28 114.58 114.77 2r96 h GLU 120 Ca 0.01 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2r96 h GLU 120 Cb 0.48 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2r96 h GLU 120 CO 0.03 1.16 -0.21 1.96 -1.00 0.00 0.00 179.01 180.96 2r96 h GLN 121 N -0.51 0.00 -0.45 2.33 1.08 -1.80 -1.40 115.11 114.35 2r96 h GLN 121 Ca -0.10 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 2r96 h GLN 121 Cb 1.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 2r96 h GLN 121 CO 0.11 0.21 -0.01 1.15 -0.95 0.00 0.00 178.83 179.34 2r96 h THR 122 N 0.00 1.26 -0.05 -0.54 2.02 -1.26 -1.23 112.91 113.11 2r96 h THR 122 Ca -0.00 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 2r96 h THR 122 Cb 0.39 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2r96 h THR 122 CO 0.03 0.37 -0.03 0.40 0.37 0.00 0.00 175.52 176.66 2r96 h ILE 123 N 0.65 1.33 -0.68 3.11 2.04 -1.39 -2.64 117.51 119.94 2r96 h ILE 123 Ca 0.13 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2r96 h ILE 123 Cb 0.51 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2r96 h ILE 123 CO 0.02 0.29 0.32 0.74 0.00 0.00 0.00 178.15 179.52 2r96 h THR 124 N -0.29 1.23 0.00 -0.27 2.02 -1.28 -0.21 112.91 114.11 2r96 h THR 124 Ca 0.01 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2r96 h THR 124 Cb 0.47 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2r96 h THR 124 CO 0.01 0.27 -0.14 0.77 0.37 0.00 0.00 175.52 176.80 2r96 h SER 125 N 0.95 0.00 -0.34 4.18 4.64 -1.32 -2.89 113.55 118.77 2r96 h SER 125 Ca 0.23 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 2r96 h SER 125 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2r96 h SER 125 CO -0.03 0.01 -0.35 0.74 -0.87 0.00 0.00 176.83 176.34 2r96 h THR 126 N 0.00 1.28 -0.97 2.95 2.02 -0.99 -3.23 112.91 113.97 2r96 h THR 126 Ca 0.00 -1.53 0.18 0.00 0.77 0.00 0.00 66.41 65.83 2r96 h THR 126 Cb 0.83 1.49 -0.10 0.00 -1.74 0.00 0.00 68.15 68.62 2r96 h THR 126 CO 0.00 0.50 0.58 -0.50 0.37 0.00 0.00 175.52 176.47 2r96 h TRP 127 N 0.62 1.01 -0.43 3.16 6.55 -0.85 -1.23 115.95 124.78 2r96 h TRP 127 Ca 0.05 0.03 0.09 0.00 0.95 0.00 0.00 58.89 60.01 2r96 h TRP 127 Cb 0.94 -0.30 -0.09 0.00 -0.86 0.00 0.00 29.16 28.85 2r96 h TRP 127 CO 0.07 0.24 -0.21 1.15 -1.05 0.00 0.00 178.44 178.63 2r96 h THR 128 N 0.75 0.38 -0.70 1.49 2.02 -1.55 0.68 112.91 115.99 2r96 h THR 128 Ca 0.55 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.66 2r96 h THR 128 Cb 0.82 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2r96 h THR 128 CO -0.37 0.00 0.17 0.74 0.37 0.00 0.00 175.52 176.43 2r96 h THR 129 N -0.13 1.26 -0.44 3.16 2.02 -1.34 -2.24 112.91 115.20 2r96 h THR 129 Ca 0.21 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 2r96 h THR 129 Cb 0.45 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2r96 h THR 129 CO -0.51 0.37 0.11 -0.07 0.37 0.00 0.00 175.52 175.79 2r96 h LEU 130 N 1.05 0.61 -1.32 2.58 3.38 -1.06 -1.87 115.31 118.67 2r96 h LEU 130 Ca 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2r96 h LEU 130 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2r96 h LEU 130 CO 0.00 0.60 -0.23 0.00 0.09 0.00 0.00 178.44 178.91 2r96 h ALA 131 N 1.48 1.10 0.00 1.53 0.00 -0.29 -1.48 119.26 121.61 2r96 h ALA 131 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2r96 h ALA 131 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2r96 h ALA 131 CO -0.00 0.28 -0.49 0.45 0.00 0.00 0.00 179.25 179.49 2r96 h HIS 132 N 0.00 0.00 -0.04 0.00 3.86 -1.06 -1.54 115.15 116.37 2r96 h HIS 132 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2r96 h HIS 132 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2r96 h HIS 132 CO 0.00 0.49 0.00 0.72 0.86 0.00 0.00 177.93 180.00 2r96 n HIS 133 N -3.65 0.05 -2.38 2.45 -0.00 -0.93 -4.92 115.22 105.83 2r96 n HIS 133 Ca -0.01 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.72 57.51 2r96 n HIS 133 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.55 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 1.00 -0.35 3.78 -1.41 0.00 -0.58 -2.88 105.19 104.74 2r96 n GLY 134 Ca 0.18 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.93 3.92 -0.39 1.61 1.00 -0.60 -0.13 119.30 119.77 2r96 s MET 135 Ca 0.02 1.62 -0.27 0.00 0.00 0.00 0.00 55.69 57.07 2r96 s MET 135 Cb -0.01 -2.42 0.02 0.00 0.00 0.00 0.00 34.83 32.41 2r96 s MET 135 CO 0.03 -0.38 0.98 0.08 0.00 0.00 0.00 175.02 175.73 2r96 s VAL 136 N -1.64 4.50 -0.09 -6.03 1.01 -0.14 -4.61 120.40 113.41 2r96 s VAL 136 Ca 0.62 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 63.53 2r96 s VAL 136 Cb -0.25 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2r96 s VAL 136 CO 0.30 -0.65 0.83 -0.63 0.00 0.00 0.00 175.10 174.96 2r96 s ILE 137 N 3.69 4.93 -0.28 2.22 1.01 -1.26 -0.82 121.20 130.69 2r96 s ILE 137 Ca 0.40 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.78 2r96 s ILE 137 Cb -0.11 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.27 2r96 s ILE 137 CO 0.21 0.14 -0.07 0.54 0.00 0.00 0.00 174.94 175.76 2r96 s VAL 138 N 1.38 2.25 0.71 2.92 0.11 0.15 -4.93 120.40 122.97 2r96 s VAL 138 Ca 0.42 -1.75 -0.11 0.00 -2.93 0.00 0.00 61.98 57.61 2r96 s VAL 138 Cb -0.18 -2.38 0.02 0.00 -1.53 0.00 0.00 36.38 32.30 2r96 s VAL 138 CO 0.19 -0.14 1.09 -2.16 -3.33 0.00 0.00 175.10 170.75 2r96 s PRO 139 N 1.08 2.83 -0.01 1.54 0.04 -1.26 -4.56 135.00 134.65 2r96 s PRO 139 Ca -0.05 0.43 0.20 0.00 0.04 0.00 0.00 61.00 61.62 2r96 s PRO 139 Cb -0.20 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.07 2r96 s PRO 139 CO -0.05 -1.04 0.71 0.44 0.04 0.00 0.00 177.00 177.10 2r96 n ILE 140 N -3.00 0.00 -4.65 0.56 -5.35 -0.47 -4.99 119.36 101.45 2r96 n ILE 140 Ca 0.07 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2r96 n ILE 140 Cb 0.57 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.43 2.01 0.87 3.28 0.00 -0.48 -3.55 105.19 108.75 2r96 n GLY 141 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 7.37 0.51 -0.24 1.61 4.01 -1.26 -4.26 117.16 124.89 2r96 n TYR 142 Ca 0.00 -1.56 -0.03 0.00 -0.16 0.00 0.00 57.90 56.15 2r96 n TYR 142 Cb 0.00 -0.36 0.15 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.22 -1.48 -0.72 0.00 -2.00 -3.39 119.26 113.90 2r96 h ALA 143 Ca 0.10 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 2r96 h ALA 143 Cb 1.30 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2r96 h ALA 143 CO 0.18 0.59 1.09 0.00 0.00 0.00 0.00 179.25 181.12 2r96 s ALA 144 N -5.60 2.74 0.66 0.00 0.00 -1.26 -4.88 121.76 113.41 2r96 s ALA 144 Ca -0.11 -1.00 0.36 0.00 0.00 0.00 0.00 51.96 51.21 2r96 s ALA 144 Cb 0.16 -4.18 1.97 0.00 0.00 0.00 0.00 23.12 21.08 2r96 s ALA 144 CO 0.81 -3.16 2.14 1.96 0.00 0.00 0.00 175.76 177.51 2r96 h GLN 145 N 10.81 0.00 0.00 0.00 1.08 -1.99 -0.43 115.11 124.57 2r96 h GLN 145 Ca -0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 2r96 h GLN 145 Cb 1.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2r96 h GLN 145 CO 1.23 0.00 -0.06 0.93 -0.95 0.00 0.00 178.83 179.98 2r96 h GLU 146 N 0.00 0.00 0.00 1.46 3.07 -1.93 -1.03 114.58 116.15 2r96 h GLU 146 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2r96 h GLU 146 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2r96 h GLU 146 CO -0.00 0.06 0.06 -0.07 -1.40 0.00 0.00 179.01 177.66 2r96 h LEU 147 N 0.00 0.00 0.00 1.33 3.38 -1.44 -1.55 115.31 117.03 2r96 h LEU 147 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r96 h LEU 147 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2r96 h LEU 147 CO 0.01 0.00 -0.52 0.49 0.09 0.00 0.00 178.44 178.51 2r96 n PHE 148 N -2.97 0.38 -2.64 1.13 3.01 -0.39 -4.84 117.46 111.13 2r96 n PHE 148 Ca -0.03 0.11 -0.42 0.00 1.01 0.00 0.00 57.45 58.12 2r96 n PHE 148 Cb 0.12 -0.55 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 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 -3.81 6.26 -0.36 4.37 3.68 -0.58 -4.85 116.67 121.38 2r96 s ASP 149 Ca 0.08 -0.39 0.08 0.00 2.13 0.00 0.00 52.55 54.45 2r96 s ASP 149 Cb 0.15 -2.52 0.68 0.00 -1.45 0.00 0.00 42.92 39.78 2r96 s ASP 149 CO 0.70 -1.61 1.79 1.33 0.13 0.00 0.00 175.17 177.51 2r96 n VAL 150 N 6.35 2.96 0.31 1.11 0.24 -1.26 -4.46 118.33 123.58 2r96 n VAL 150 Ca 0.03 -1.88 0.11 0.00 -2.04 0.00 0.00 64.34 60.56 2r96 n VAL 150 Cb 0.48 -0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.63 0.60 -4.16 -1.34 3.41 -1.26 -4.88 113.62 105.35 2r96 n SER 151 Ca 0.46 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 2r96 n SER 151 Cb 1.42 0.84 -0.11 0.00 -0.26 0.00 0.00 64.21 66.10 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 -3.31 0.81 0.39 4.33 -2.07 -1.26 -5.14 119.66 113.42 2r96 s GLN 152 Ca 0.00 -1.16 -0.26 0.00 -1.82 0.00 0.00 55.36 52.12 2r96 s GLN 152 Cb 0.13 -0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 31.53 2r96 s GLN 152 CO 0.81 0.05 1.20 0.14 -1.32 0.00 0.00 175.29 176.18 2r96 s VAL 153 N -2.63 3.02 -0.29 3.63 -7.23 -1.26 -4.99 120.40 110.65 2r96 s VAL 153 Ca 0.06 0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 60.99 2r96 s VAL 153 Cb -0.02 -3.52 0.13 0.00 0.56 0.00 0.00 36.38 33.54 2r96 s VAL 153 CO -0.01 0.11 0.81 -0.60 -0.31 0.00 0.00 175.10 175.11 2r96 s ARG 154 N -2.18 0.49 0.91 4.82 3.52 -1.26 -5.06 118.95 120.18 2r96 s ARG 154 Ca 0.55 1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 57.06 2r96 s ARG 154 Cb -0.33 0.46 0.22 0.00 -1.56 0.00 0.00 34.95 33.74 2r96 s ARG 154 CO 0.42 -0.14 0.96 0.41 -0.81 0.00 0.00 175.30 176.14 2r96 n GLY 155 N 4.77 -2.19 0.00 8.12 0.00 -1.26 -4.98 105.19 109.65 2r96 n GLY 155 Ca -0.14 -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 -2.82 2.26 3.29 -0.02 0.00 -1.04 -4.72 105.19 102.15 2r96 n GLY 156 Ca 0.13 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.75 -0.88 2.61 -4.23 -0.50 -4.82 115.64 108.57 2r96 s THR 157 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2r96 s THR 157 Cb 0.00 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.60 2r96 s THR 157 CO 0.00 -0.30 1.31 -0.81 -0.54 0.00 0.00 174.62 174.28 2r96 n PRO 158 N -0.36 0.03 0.12 3.99 -0.04 -1.26 -2.41 135.00 135.07 2r96 n PRO 158 Ca -0.04 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2r96 n PRO 158 Cb 0.64 -1.58 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 2r96 n PRO 158 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2r96 h TYR 159 N 0.00 0.00 0.00 0.54 -1.99 -1.95 -0.92 116.97 112.65 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 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2r96 h TYR 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 2r96 n GLY 160 N 1.21 3.16 3.76 3.88 0.00 -1.01 -4.34 105.19 111.85 2r96 n GLY 160 Ca 0.03 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2r96 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r96 s ALA 161 N -2.00 2.94 0.11 4.61 0.00 -1.26 -1.42 121.76 124.76 2r96 s ALA 161 Ca 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 2r96 s ALA 161 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2r96 s ALA 161 CO 0.00 -0.99 0.03 0.95 0.00 0.00 0.00 175.76 175.75 2r96 s THR 162 N -1.40 0.17 0.08 0.00 -4.23 -1.26 -1.83 115.64 107.17 2r96 s THR 162 Ca 0.66 -1.89 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 2r96 s THR 162 Cb -0.35 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2r96 s THR 162 CO 0.42 -0.59 -0.14 0.28 -0.54 0.00 0.00 174.62 174.05 2r96 s THR 163 N -3.99 1.13 -0.32 3.99 -1.32 -0.94 -2.49 115.64 111.71 2r96 s THR 163 Ca 0.20 -1.39 -0.09 0.00 -1.21 0.00 0.00 61.69 59.19 2r96 s THR 163 Cb 0.07 -1.16 -0.00 0.00 -1.51 0.00 0.00 72.50 69.90 2r96 s THR 163 CO -0.01 -0.28 0.15 -0.63 -2.21 0.00 0.00 174.62 171.64 2r96 s ILE 164 N -1.50 4.53 -0.53 5.08 1.01 -1.26 -2.52 121.20 126.02 2r96 s ILE 164 Ca 0.00 -0.50 0.24 0.00 0.00 0.00 0.00 60.65 60.40 2r96 s ILE 164 Cb -0.09 -3.34 0.21 0.00 0.01 0.00 0.00 42.46 39.25 2r96 s ILE 164 CO 0.02 0.04 1.50 0.00 0.00 0.00 0.00 174.94 176.50 2r96 h ALA 165 N 8.35 0.83 0.00 9.38 0.00 -0.40 -3.44 119.26 133.97 2r96 h ALA 165 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2r96 h ALA 165 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2r96 h ALA 165 CO 0.62 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2r96 n GLY 166 N 1.22 -1.92 0.37 0.00 0.00 0.71 -1.62 105.19 103.95 2r96 n GLY 166 Ca 0.04 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.77 2r96 n GLY 166 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2r96 h GLY 167 N 0.00 1.25 1.45 -0.02 0.00 -1.94 -0.60 103.07 103.21 2r96 h GLY 167 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.02 2r96 h GLY 167 CO 0.00 0.16 0.30 -0.55 0.00 0.00 0.00 176.54 176.45 2r96 h ASP 168 N 0.81 0.42 0.00 0.19 3.45 -1.90 -3.47 116.42 115.92 2r96 h ASP 168 Ca 0.42 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.88 2r96 h ASP 168 Cb 0.52 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 2r96 h ASP 168 CO -0.19 0.29 0.00 0.61 -1.57 0.00 0.00 179.24 178.38 2r96 n GLY 169 N -1.49 1.57 0.19 2.75 0.00 -0.23 -4.95 105.19 103.02 2r96 n GLY 169 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.00 1.61 4.64 -1.76 -3.45 113.55 110.60 2r96 h SER 170 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 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 0.25 0.70 -0.13 -0.87 0.00 0.00 176.83 176.78 2r96 s ARG 171 N -3.25 3.60 0.13 4.77 0.52 -0.64 -5.04 118.95 119.04 2r96 s ARG 171 Ca 0.04 2.42 0.05 0.00 -0.52 0.00 0.00 55.73 57.72 2r96 s ARG 171 Cb 0.08 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 2r96 s ARG 171 CO 0.68 -0.89 0.10 -0.65 0.02 0.00 0.00 175.30 174.57 2r96 s GLN 172 N -2.51 2.85 0.04 3.54 -1.52 -1.26 -4.80 119.66 115.99 2r96 s GLN 172 Ca 0.62 -0.82 -0.35 0.00 -1.95 0.00 0.00 55.36 52.86 2r96 s GLN 172 Cb -0.44 -2.65 -0.14 0.00 -0.22 0.00 0.00 33.01 29.56 2r96 s GLN 172 CO 0.56 0.51 1.65 -2.30 -0.25 0.00 0.00 175.29 175.46 2r96 n PRO 173 N -0.03 1.92 -1.84 2.91 -0.02 -1.26 -4.96 135.00 131.72 2r96 n PRO 173 Ca -0.09 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 2r96 n PRO 173 Cb 0.54 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.00 5.47 0.29 2.55 1.04 -1.26 -4.85 113.70 118.94 2r96 s SER 174 Ca 0.85 1.21 0.01 0.00 0.48 0.00 0.00 55.95 58.50 2r96 s SER 174 Cb -0.76 -2.04 0.54 0.00 0.10 0.00 0.00 66.02 63.86 2r96 s SER 174 CO 0.46 -1.33 1.87 1.56 0.98 0.00 0.00 173.24 176.77 2r96 h GLN 175 N -0.65 0.99 -0.36 4.02 1.08 -1.99 -0.41 115.11 117.80 2r96 h GLN 175 Ca -0.45 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 56.52 2r96 h GLN 175 Cb 1.24 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2r96 h GLN 175 CO 0.63 0.65 -0.44 0.93 -0.95 0.00 0.00 178.83 179.66 2r96 h GLU 176 N 1.02 0.93 -0.22 1.46 5.08 -1.98 -0.24 114.58 120.62 2r96 h GLU 176 Ca 0.45 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2r96 h GLU 176 Cb 0.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2r96 h GLU 176 CO -0.21 1.17 0.13 0.93 -1.00 0.00 0.00 179.01 180.03 2r96 h GLU 177 N 0.74 0.30 0.00 2.33 5.08 -1.60 -1.83 114.58 119.59 2r96 h GLU 177 Ca 0.05 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2r96 h GLU 177 Cb 1.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2r96 h GLU 177 CO 0.10 0.23 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.91 2r96 h LEU 178 N 0.27 0.00 -0.42 1.33 3.38 -0.98 -1.58 115.31 117.32 2r96 h LEU 178 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2r96 h LEU 178 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2r96 h LEU 178 CO -0.02 0.36 0.10 -1.28 0.09 0.00 0.00 178.44 177.69 2r96 h SER 179 N 0.00 0.64 -0.46 -0.43 0.87 -0.52 0.27 113.55 113.93 2r96 h SER 179 Ca -0.00 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2r96 h SER 179 Cb 0.66 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2r96 h SER 179 CO 0.05 0.71 0.21 0.40 -0.53 0.00 0.00 176.83 177.67 2r96 h ILE 180 N 0.54 1.19 -0.20 2.23 2.04 -0.96 -0.89 117.51 121.46 2r96 h ILE 180 Ca 0.13 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.48 2r96 h ILE 180 Cb 0.33 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2r96 h ILE 180 CO 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 178.15 178.33 2r96 h ALA 181 N 1.05 0.14 -0.57 1.87 0.00 -0.99 0.05 119.26 120.82 2r96 h ALA 181 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2r96 h ALA 181 Cb 0.14 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2r96 h ALA 181 CO -0.02 -0.46 0.30 0.00 0.00 0.00 0.00 179.25 179.07 2r96 h ARG 182 N 0.02 0.56 -0.78 0.00 3.08 -0.25 -0.85 114.38 116.16 2r96 h ARG 182 Ca 0.09 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.18 2r96 h ARG 182 Cb 0.13 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 2r96 h ARG 182 CO -0.19 0.37 0.46 -0.92 -1.07 0.00 0.00 179.97 178.62 2r96 h TYR 183 N 0.57 0.84 -0.41 3.04 3.20 -0.56 0.12 116.97 123.78 2r96 h TYR 183 Ca 0.25 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 2r96 h TYR 183 Cb 0.15 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2r96 h TYR 183 CO -0.09 0.40 0.09 0.37 -1.64 0.00 0.00 178.16 177.29 2r96 h GLN 184 N 0.82 0.67 -0.72 1.82 4.15 0.34 0.68 115.11 122.87 2r96 h GLN 184 Ca 0.36 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 2r96 h GLN 184 Cb 0.23 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2r96 h GLN 184 CO -0.20 0.69 0.43 0.78 -1.93 0.00 0.00 178.83 178.60 2r96 h GLY 185 N 0.53 1.05 0.88 2.39 0.00 -0.85 -1.77 103.07 105.30 2r96 h GLY 185 Ca 0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2r96 h GLY 185 CO 0.00 0.43 -0.01 -2.09 0.00 0.00 0.00 176.54 174.88 2r96 h GLU 186 N 0.98 0.53 -0.05 4.80 4.81 -0.56 -1.96 114.58 123.14 2r96 h GLU 186 Ca 0.26 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2r96 h GLU 186 Cb -0.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2r96 h GLU 186 CO -0.05 0.68 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.98 2r96 h TYR 187 N 0.32 0.11 0.00 0.92 3.20 -0.79 -1.83 116.97 118.90 2r96 h TYR 187 Ca 0.08 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 2r96 h TYR 187 Cb 0.45 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2r96 h TYR 187 CO 0.04 0.46 -0.55 -0.39 -1.64 0.00 0.00 178.16 176.08 2r96 h VAL 188 N -0.27 1.37 -0.45 1.81 -1.51 -1.35 -1.23 116.25 114.62 2r96 h VAL 188 Ca 0.01 -1.90 -0.02 0.00 -1.23 0.00 0.00 66.70 63.56 2r96 h VAL 188 Cb 0.43 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 2r96 h VAL 188 CO 0.01 0.54 0.20 0.00 -1.23 0.00 0.00 177.57 177.08 2r96 h ALA 189 N 1.45 0.58 -0.39 5.19 0.00 -1.36 0.73 119.26 125.46 2r96 h ALA 189 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2r96 h ALA 189 Cb 0.99 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2r96 h ALA 189 CO 0.07 0.16 0.16 0.78 0.00 0.00 0.00 179.25 180.42 2r96 h GLY 190 N 0.58 0.52 1.02 0.00 0.00 -0.79 -0.78 103.07 103.62 2r96 h GLY 190 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2r96 h GLY 190 CO -0.02 0.05 0.44 -2.00 0.00 0.00 0.00 176.54 175.01 2r96 h LEU 191 N 0.33 1.02 -0.53 3.11 5.85 -1.05 -0.76 115.31 123.29 2r96 h LEU 191 Ca 0.18 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2r96 h LEU 191 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2r96 h LEU 191 CO -0.16 0.83 0.27 0.00 -0.34 0.00 0.00 178.44 179.05 2r96 h ALA 192 N 1.23 0.68 -0.51 1.25 0.00 -0.10 0.16 119.26 121.97 2r96 h ALA 192 Ca 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2r96 h ALA 192 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2r96 h ALA 192 CO -0.04 0.22 0.02 0.28 0.00 0.00 0.00 179.25 179.72 2r96 h VAL 193 N 0.70 1.24 -0.37 0.00 2.07 -0.90 -2.75 116.25 116.24 2r96 h VAL 193 Ca 0.18 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2r96 h VAL 193 Cb 0.08 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2r96 h VAL 193 CO -0.03 0.36 -0.10 0.50 0.02 0.00 0.00 177.57 178.32 2r96 h LYS 194 N 0.78 0.64 -0.60 1.57 3.64 0.00 -3.17 116.57 119.44 2r96 h LYS 194 Ca 0.15 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2r96 h LYS 194 Cb 0.44 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2r96 h LYS 194 CO 0.02 0.73 0.38 1.25 -2.27 0.00 0.00 179.45 179.56 2r96 h LEU 195 N 0.59 0.64 0.00 5.20 5.85 -0.42 -3.46 115.31 123.71 2r96 h LEU 195 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2r96 h LEU 195 Cb 0.52 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2r96 h LEU 195 CO 0.03 0.45 0.00 0.59 -0.34 0.00 0.00 178.44 179.17 2r96 n ASN 196 N -4.71 -1.01 0.00 1.25 3.02 -1.20 -5.12 115.26 107.50 2r96 n ASN 196 Ca 0.05 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 2r96 n ASN 196 Cb 0.05 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 2r96 n ASN 196 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25