#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m95 s MET 1 N 0.00 4.19 -0.05 1.61 1.00 -1.26 -5.07 119.30 119.72 3m95 s MET 1 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 55.69 56.24 3m95 s MET 1 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 34.83 31.48 3m95 s MET 1 CO 0.00 0.47 0.07 0.15 0.00 0.00 0.00 175.02 175.70 3m95 s LYS 2 N -0.44 3.11 -0.03 2.03 -0.14 -1.26 -5.10 119.74 117.91 3m95 s LYS 2 Ca 0.27 -0.39 0.01 0.00 -1.36 0.00 0.00 55.97 54.50 3m95 s LYS 2 Cb -0.17 -2.90 0.02 0.00 -1.68 0.00 0.00 37.83 33.10 3m95 s LYS 2 CO 0.15 0.69 -0.02 -0.06 -0.76 0.00 0.00 175.35 175.35 3m95 s PHE 3 N -1.07 0.45 0.43 3.18 0.08 -1.26 -4.97 117.98 114.83 3m95 s PHE 3 Ca 0.18 -0.07 0.14 0.00 0.12 0.00 0.00 56.93 57.30 3m95 s PHE 3 Cb -0.12 -0.47 1.02 0.00 -0.57 0.00 0.00 43.02 42.88 3m95 s PHE 3 CO 0.08 -0.14 1.97 1.96 -0.10 0.00 0.00 175.22 179.00 3m95 h GLN 4 N 7.14 0.41 -0.83 0.44 4.20 -1.99 -0.95 115.11 123.54 3m95 h GLN 4 Ca -0.41 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.35 3m95 h GLN 4 Cb 1.14 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 3m95 h GLN 4 CO 0.48 0.27 0.49 -0.92 -0.67 0.00 0.00 178.83 178.48 3m95 h TYR 5 N 0.42 0.90 -0.41 2.96 3.20 -1.97 0.16 116.97 122.23 3m95 h TYR 5 Ca 0.29 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 3m95 h TYR 5 Cb 0.56 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3m95 h TYR 5 CO -0.00 0.42 -0.01 0.87 -1.64 0.00 0.00 178.16 177.80 3m95 h LYS 6 N 0.87 0.74 -0.03 1.82 1.57 -1.47 -2.86 116.57 117.21 3m95 h LYS 6 Ca 0.38 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 3m95 h LYS 6 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3m95 h LYS 6 CO -0.20 0.82 -0.46 0.93 -0.57 0.00 0.00 179.45 179.97 3m95 h GLU 7 N 0.57 0.08 -0.01 3.15 5.08 -1.17 -3.28 114.58 118.99 3m95 h GLU 7 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3m95 h GLU 7 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3m95 h GLU 7 CO 0.02 0.53 -0.15 0.39 -1.00 0.00 0.00 179.01 178.81 3m95 n GLU 8 N -3.98 1.23 -3.86 2.33 1.02 0.52 -4.86 120.64 113.03 3m95 n GLU 8 Ca -0.02 -0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 56.27 3m95 n GLU 8 Cb 0.50 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.30 3m95 n GLU 8 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3m95 s HIS 9 N -2.28 -0.05 0.38 -0.32 3.76 -1.08 -5.06 115.29 110.64 3m95 s HIS 9 Ca 0.30 0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 55.07 3m95 s HIS 9 Cb 0.20 0.01 -0.11 0.00 1.11 0.00 0.00 32.58 33.79 3m95 s HIS 9 CO 0.44 -0.04 1.19 0.43 -0.85 0.00 0.00 174.74 175.90 3m95 n SER 10 N 2.95 2.19 -0.25 1.40 7.64 -1.26 -4.73 113.62 121.56 3m95 n SER 10 Ca -0.13 1.13 0.04 0.00 1.01 0.00 0.00 58.87 60.92 3m95 n SER 10 Cb 0.59 -1.44 0.17 0.00 -1.01 0.00 0.00 64.21 62.52 3m95 n SER 10 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3m95 h PHE 11 N 2.10 0.51 -0.33 1.43 3.57 -1.98 -0.79 116.94 121.46 3m95 h PHE 11 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.14 3m95 h PHE 11 Cb 1.31 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 3m95 h PHE 11 CO 0.48 0.09 -0.05 1.49 -2.23 0.00 0.00 178.31 178.09 3m95 h GLU 12 N 0.46 0.03 -0.18 1.11 4.81 -1.99 0.24 114.58 119.06 3m95 h GLU 12 Ca 0.39 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3m95 h GLU 12 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3m95 h GLU 12 CO -0.37 0.02 -0.34 0.87 -0.73 0.00 0.00 179.01 178.45 3m95 h LYS 13 N 0.03 0.36 -0.19 1.92 1.57 -1.77 -2.59 116.57 115.91 3m95 h LYS 13 Ca 0.16 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3m95 h LYS 13 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3m95 h LYS 13 CO -0.32 0.67 -0.13 0.00 -0.57 0.00 0.00 179.45 179.10 3m95 h ARG 14 N 0.31 0.42 -0.32 3.15 3.08 -0.84 -2.92 114.38 117.26 3m95 h ARG 14 Ca 0.04 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.90 3m95 h ARG 14 Cb 0.76 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3m95 h ARG 14 CO 0.06 0.74 0.19 -0.22 -1.07 0.00 0.00 179.97 179.67 3m95 h LYS 15 N 0.10 0.38 -0.47 0.04 3.64 -0.49 -0.75 116.57 119.02 3m95 h LYS 15 Ca 0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3m95 h LYS 15 Cb 0.64 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3m95 h LYS 15 CO 0.04 0.25 0.30 0.00 -2.27 0.00 0.00 179.45 177.77 3m95 h ALA 16 N 1.14 0.60 -0.61 5.00 0.00 -1.49 0.77 119.26 124.67 3m95 h ALA 16 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3m95 h ALA 16 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3m95 h ALA 16 CO -0.05 0.01 0.06 1.49 0.00 0.00 0.00 179.25 180.76 3m95 h GLU 17 N 0.61 1.03 -0.74 0.00 4.81 -1.32 -0.85 114.58 118.13 3m95 h GLU 17 Ca 0.18 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3m95 h GLU 17 Cb -0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3m95 h GLU 17 CO -0.06 0.98 0.22 0.78 -0.73 0.00 0.00 179.01 180.19 3m95 h GLY 18 N 1.02 1.25 1.32 1.92 0.00 -0.47 -1.13 103.07 106.97 3m95 h GLY 18 Ca 0.18 -0.75 -0.24 0.00 0.00 0.00 0.00 47.33 46.53 3m95 h GLY 18 CO 0.02 0.70 -0.90 -2.09 0.00 0.00 0.00 176.54 174.27 3m95 h GLU 19 N 1.11 0.64 -0.34 4.80 4.81 -0.54 -2.54 114.58 122.52 3m95 h GLU 19 Ca 0.24 -0.61 -0.16 0.00 -0.13 0.00 0.00 59.36 58.70 3m95 h GLU 19 Cb 0.33 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3m95 h GLU 19 CO -0.00 1.22 -0.43 1.57 -0.73 0.00 0.00 179.01 180.64 3m95 h LYS 20 N 0.39 0.89 -0.74 1.92 5.09 -1.17 -2.98 116.57 119.97 3m95 h LYS 20 Ca -0.08 -0.50 -0.00 0.00 0.09 0.00 0.00 60.65 60.15 3m95 h LYS 20 Cb 1.53 0.03 -0.04 0.00 0.10 0.00 0.00 32.23 33.86 3m95 h LYS 20 CO 0.17 1.15 0.45 0.82 -2.09 0.00 0.00 179.45 179.94 3m95 h ILE 21 N 0.68 1.21 0.00 0.07 2.04 -1.08 1.27 117.51 121.71 3m95 h ILE 21 Ca 0.04 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3m95 h ILE 21 Cb 1.02 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3m95 h ILE 21 CO 0.10 0.21 0.00 0.54 0.00 0.00 0.00 178.15 179.01 3m95 n ARG 22 N -4.39 0.05 -0.08 2.37 5.12 -0.97 -0.37 116.66 118.39 3m95 n ARG 22 Ca 0.08 0.11 -0.23 0.00 -1.93 0.00 0.00 57.85 55.88 3m95 n ARG 22 Cb 0.07 -1.56 -0.12 0.00 -1.16 0.00 0.00 32.46 29.68 3m95 n ARG 22 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3m95 n ARG 23 N -1.64 0.64 0.04 5.56 0.63 0.60 -3.38 116.66 119.12 3m95 n ARG 23 Ca 0.06 0.36 0.10 0.00 -0.92 0.00 0.00 57.85 57.44 3m95 n ARG 23 Cb 0.31 -1.65 0.42 0.00 0.45 0.00 0.00 32.46 31.99 3m95 n ARG 23 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3m95 n LYS 24 N -3.93 0.08 -2.86 -0.14 4.81 0.41 -4.18 118.16 112.34 3m95 n LYS 24 Ca -0.39 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.18 3m95 n LYS 24 Cb 0.88 -1.63 0.03 0.00 0.02 0.00 0.00 35.03 34.34 3m95 n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3m95 n TYR 25 N -1.76 -2.37 0.14 5.64 4.02 0.50 -4.96 117.16 118.37 3m95 n TYR 25 Ca 0.04 -2.37 0.08 0.00 -0.01 0.00 0.00 57.90 55.64 3m95 n TYR 25 Cb 0.24 1.07 0.41 0.00 -0.02 0.00 0.00 39.34 41.04 3m95 n TYR 25 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3m95 n PRO 26 N 1.10 0.10 -0.24 -0.72 -0.04 -1.22 0.14 135.00 134.13 3m95 n PRO 26 Ca 0.12 0.58 0.25 0.00 -0.04 0.00 0.00 63.50 64.40 3m95 n PRO 26 Cb 0.64 -1.97 0.62 0.00 -0.04 0.00 0.00 33.50 32.75 3m95 n PRO 26 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3m95 h ASP 27 N 0.00 0.21 -4.34 3.54 3.58 -1.93 -3.46 116.42 114.02 3m95 h ASP 27 Ca 0.00 0.03 -0.31 0.00 0.42 0.00 0.00 57.03 57.17 3m95 h ASP 27 Cb 0.29 -0.01 -0.17 0.00 1.72 0.00 0.00 39.33 41.16 3m95 h ASP 27 CO 0.00 0.07 -0.72 -0.13 -2.88 0.00 0.00 179.24 175.57 3m95 s ARG 28 N -5.21 0.88 -0.05 0.28 0.52 0.38 -1.83 118.95 113.92 3m95 s ARG 28 Ca -0.07 -1.23 0.03 0.00 -0.52 0.00 0.00 55.73 53.94 3m95 s ARG 28 Cb 0.23 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.20 3m95 s ARG 28 CO 0.78 0.06 -0.14 0.14 0.02 0.00 0.00 175.30 176.17 3m95 s VAL 29 N -2.77 1.23 -0.08 3.52 -7.23 0.68 -4.75 120.40 111.01 3m95 s VAL 29 Ca 0.08 -0.57 -0.24 0.00 -1.81 0.00 0.00 61.98 59.44 3m95 s VAL 29 Cb -0.01 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3m95 s VAL 29 CO -0.01 0.37 0.72 -2.16 -0.31 0.00 0.00 175.10 173.71 3m95 s PRO 30 N 0.34 4.41 -0.00 4.82 0.04 -1.26 -1.54 135.00 141.82 3m95 s PRO 30 Ca -0.09 0.89 0.02 0.00 0.04 0.00 0.00 61.00 61.87 3m95 s PRO 30 Cb -0.13 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 3m95 s PRO 30 CO 0.03 -0.00 -0.08 0.54 0.04 0.00 0.00 177.00 177.53 3m95 s VAL 31 N 1.03 0.60 -0.20 -0.36 0.11 0.49 -1.12 120.40 120.95 3m95 s VAL 31 Ca 0.37 -0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 3m95 s VAL 31 Cb -0.18 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3m95 s VAL 31 CO 0.17 0.12 0.08 -0.63 -3.33 0.00 0.00 175.10 171.52 3m95 s ILE 32 N -0.28 4.85 -0.17 7.04 -1.09 -0.15 -0.56 121.20 130.83 3m95 s ILE 32 Ca 0.02 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 3m95 s ILE 32 Cb -0.04 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3m95 s ILE 32 CO -0.00 0.43 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.26 3m95 s VAL 33 N 0.60 2.18 0.07 2.92 1.01 0.07 -0.90 120.40 126.35 3m95 s VAL 33 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3m95 s VAL 33 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3m95 s VAL 33 CO 0.01 0.53 -0.08 -1.61 0.00 0.00 0.00 175.10 173.95 3m95 s GLU 34 N 1.17 0.67 0.29 2.72 2.02 -0.19 -4.47 118.70 120.90 3m95 s GLU 34 Ca 0.02 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 3m95 s GLU 34 Cb -0.14 -0.34 -0.10 0.00 0.10 0.00 0.00 34.13 33.66 3m95 s GLU 34 CO -0.09 0.05 1.16 0.21 0.02 0.00 0.00 175.26 176.61 3m95 s LYS 35 N -2.31 4.55 0.39 1.61 2.20 -1.26 -1.56 119.74 123.37 3m95 s LYS 35 Ca -0.02 1.93 -0.27 0.00 -0.36 0.00 0.00 55.97 57.25 3m95 s LYS 35 Cb -0.05 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 3m95 s LYS 35 CO -0.01 0.09 1.35 0.00 -0.36 0.00 0.00 175.35 176.42 3m95 s ALA 36 N -1.12 3.35 -0.40 3.13 0.00 0.22 -4.70 121.76 122.24 3m95 s ALA 36 Ca 0.46 1.33 -0.43 0.00 0.00 0.00 0.00 51.96 53.32 3m95 s ALA 36 Cb -0.34 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.08 3m95 s ALA 36 CO 0.44 -0.88 1.77 -2.30 0.00 0.00 0.00 175.76 174.79 3m95 n PRO 37 N 0.26 0.54 -4.08 0.00 -0.02 -1.26 -1.12 135.00 129.33 3m95 n PRO 37 Ca 0.03 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.42 3m95 n PRO 37 Cb 0.42 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 3m95 n PRO 37 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3m95 n LYS 38 N 5.28 -0.93 -2.11 -0.52 4.01 -1.26 -4.96 118.16 117.66 3m95 n LYS 38 Ca 0.33 0.08 -0.39 0.00 -0.51 0.00 0.00 58.31 57.82 3m95 n LYS 38 Cb 0.04 -3.17 -0.01 0.00 -0.51 0.00 0.00 35.03 31.38 3m95 n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3m95 s ALA 39 N -4.11 3.21 -1.03 7.82 0.00 -0.27 -4.97 121.76 122.41 3m95 s ALA 39 Ca 0.05 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3m95 s ALA 39 Cb -0.03 -3.46 0.31 0.00 0.00 0.00 0.00 23.12 19.94 3m95 s ALA 39 CO 0.87 -0.76 1.44 0.54 0.00 0.00 0.00 175.76 177.85 3m95 n ARG 40 N 0.08 4.38 -4.02 0.00 1.74 -1.26 -4.92 116.66 112.67 3m95 n ARG 40 Ca 0.04 -4.58 -0.12 0.00 -0.77 0.00 0.00 57.85 52.42 3m95 n ARG 40 Cb 0.44 -2.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.37 3m95 n ARG 40 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3m95 s LEU 41 N -2.90 0.63 0.42 0.55 0.05 -1.26 -4.92 118.68 111.26 3m95 s LEU 41 Ca 0.32 -1.26 -0.25 0.00 0.05 0.00 0.00 54.13 53.00 3m95 s LEU 41 Cb 0.07 1.77 -0.10 0.00 -2.05 0.00 0.00 46.19 45.88 3m95 s LEU 41 CO 0.08 -1.31 1.17 0.61 -0.55 0.00 0.00 176.35 176.35 3m95 n GLY 42 N -0.50 0.24 3.83 -3.48 0.00 -1.26 -5.02 105.19 99.00 3m95 n GLY 42 Ca -0.01 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3m95 n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m95 s ASP 43 N -0.63 6.32 0.70 1.61 1.01 -1.26 -5.00 116.67 119.42 3m95 s ASP 43 Ca 0.62 1.66 -0.11 0.00 0.71 0.00 0.00 52.55 55.43 3m95 s ASP 43 Cb -0.53 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 40.89 3m95 s ASP 43 CO 0.57 -0.80 1.07 -0.22 0.21 0.00 0.00 175.17 176.00 3m95 s LEU 44 N -4.22 3.00 -0.18 1.23 0.20 -1.26 -4.88 118.68 112.57 3m95 s LEU 44 Ca 0.61 1.40 0.18 0.00 0.69 0.00 0.00 54.13 57.01 3m95 s LEU 44 Cb -0.12 -4.25 -0.26 0.00 -0.43 0.00 0.00 46.19 41.13 3m95 s LEU 44 CO 0.33 -1.39 0.13 -0.90 -0.29 0.00 0.00 176.35 174.23 3m95 n ASP 45 N -3.07 0.01 -3.76 3.68 3.85 -1.26 -4.89 116.55 111.10 3m95 n ASP 45 Ca 0.07 0.00 -0.26 0.00 -0.71 0.00 0.00 54.79 53.89 3m95 n ASP 45 Cb 0.55 1.12 -0.17 0.00 -1.35 0.00 0.00 41.12 41.27 3m95 n ASP 45 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3m95 s LYS 46 N -2.62 0.72 0.25 0.11 -2.85 -1.26 -5.02 119.74 109.07 3m95 s LYS 46 Ca -0.10 -0.23 0.05 0.00 -1.00 0.00 0.00 55.97 54.70 3m95 s LYS 46 Cb 0.07 -1.68 0.28 0.00 -2.06 0.00 0.00 37.83 34.44 3m95 s LYS 46 CO 0.84 -0.49 1.58 0.87 0.10 0.00 0.00 175.35 178.25 3m95 h LYS 47 N 8.26 0.20 -4.92 1.78 1.57 -1.90 -3.45 116.57 118.12 3m95 h LYS 47 Ca -0.18 -0.14 -0.67 0.00 -1.87 0.00 0.00 60.65 57.79 3m95 h LYS 47 Cb 1.12 0.02 -0.30 0.00 0.08 0.00 0.00 32.23 33.15 3m95 h LYS 47 CO 0.32 0.74 -0.72 0.21 -0.57 0.00 0.00 179.45 179.42 3m95 s LYS 48 N -3.77 3.02 0.20 3.15 2.20 -1.26 -0.75 119.74 122.53 3m95 s LYS 48 Ca -0.04 -0.86 0.10 0.00 -0.36 0.00 0.00 55.97 54.81 3m95 s LYS 48 Cb 0.12 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3m95 s LYS 48 CO 0.79 -0.35 -0.20 0.71 -0.36 0.00 0.00 175.35 175.94 3m95 s TYR 49 N 1.39 2.04 -0.34 4.03 1.51 0.27 -4.98 117.35 121.27 3m95 s TYR 49 Ca 0.02 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3m95 s TYR 49 Cb -0.16 -0.98 0.11 0.00 -0.11 0.00 0.00 41.96 40.83 3m95 s TYR 49 CO -0.03 0.47 0.15 -1.17 -1.11 0.00 0.00 175.55 173.85 3m95 s LEU 50 N -2.93 2.00 0.15 -1.29 2.96 -1.26 -0.38 118.68 117.92 3m95 s LEU 50 Ca 0.21 -1.88 0.05 0.00 -0.22 0.00 0.00 54.13 52.28 3m95 s LEU 50 Cb -0.06 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 3m95 s LEU 50 CO 0.09 -0.37 0.11 0.68 -1.32 0.00 0.00 176.35 175.54 3m95 s VAL 51 N 1.33 4.45 0.17 1.68 -7.23 -0.59 -4.82 120.40 115.38 3m95 s VAL 51 Ca 0.12 -1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 3m95 s VAL 51 Cb -0.19 -3.24 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 3m95 s VAL 51 CO -0.18 -0.05 1.46 -2.84 -0.31 0.00 0.00 175.10 173.18 3m95 s PRO 52 N -2.93 4.27 0.60 4.82 0.02 -1.26 -0.23 135.00 140.30 3m95 s PRO 52 Ca 0.30 2.23 0.30 0.00 0.02 0.00 0.00 61.00 63.85 3m95 s PRO 52 Cb -0.10 -3.18 1.70 0.00 0.02 0.00 0.00 34.50 32.93 3m95 s PRO 52 CO 0.23 -0.49 2.09 1.03 -0.33 0.00 0.00 177.00 179.53 3m95 h SER 53 N 6.36 0.00 1.28 2.53 0.87 -1.70 -1.34 113.55 121.55 3m95 h SER 53 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3m95 h SER 53 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3m95 h SER 53 CO 0.86 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 176.26 3m95 n ASP 54 N -3.66 0.77 -4.77 6.23 3.85 -1.26 -1.32 116.55 116.39 3m95 n ASP 54 Ca 0.01 0.60 -0.38 0.00 -0.71 0.00 0.00 54.79 54.32 3m95 n ASP 54 Cb 0.34 -0.80 -0.01 0.00 -1.35 0.00 0.00 41.12 39.30 3m95 n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3m95 s LEU 55 N -4.51 4.08 0.52 -2.12 2.96 -0.50 -4.81 118.68 114.30 3m95 s LEU 55 Ca 0.09 2.34 -0.06 0.00 -0.22 0.00 0.00 54.13 56.28 3m95 s LEU 55 Cb 0.12 -4.15 -0.03 0.00 0.50 0.00 0.00 46.19 42.63 3m95 s LEU 55 CO 0.54 -0.83 0.84 0.42 -1.32 0.00 0.00 176.35 176.00 3m95 s THR 56 N -1.48 4.62 0.24 3.68 -4.23 -1.26 -0.08 115.64 117.12 3m95 s THR 56 Ca 0.61 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 3m95 s THR 56 Cb -0.30 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 69.88 3m95 s THR 56 CO 0.37 -0.81 1.75 0.58 -0.54 0.00 0.00 174.62 175.97 3m95 h VAL 57 N 0.07 1.25 -0.51 2.29 2.07 -1.25 0.16 116.25 120.33 3m95 h VAL 57 Ca -0.46 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3m95 h VAL 57 Cb 1.21 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3m95 h VAL 57 CO 0.61 0.35 0.30 1.23 0.02 0.00 0.00 177.57 180.09 3m95 h GLY 58 N 1.02 0.72 2.00 2.17 0.00 -1.76 0.90 103.07 108.11 3m95 h GLY 58 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3m95 h GLY 58 CO 0.01 0.20 -0.38 1.46 0.00 0.00 0.00 176.54 177.83 3m95 h GLN 59 N 0.61 0.00 -0.16 4.80 4.20 -1.67 -1.70 115.11 121.19 3m95 h GLN 59 Ca 0.20 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 3m95 h GLN 59 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3m95 h GLN 59 CO -0.09 0.38 -0.45 0.35 -0.67 0.00 0.00 178.83 178.35 3m95 h PHE 60 N 0.00 0.76 -0.52 2.96 3.57 0.21 -2.62 116.94 121.29 3m95 h PHE 60 Ca -0.00 -0.30 0.10 0.00 3.53 0.00 0.00 57.97 61.30 3m95 h PHE 60 Cb 0.82 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 3m95 h PHE 60 CO 0.00 1.06 -0.04 1.88 -2.23 0.00 0.00 178.31 178.99 3m95 h TYR 61 N 0.23 -0.10 -0.62 0.41 -1.99 -0.64 -2.07 116.97 112.20 3m95 h TYR 61 Ca -0.01 0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.87 3m95 h TYR 61 Cb 1.06 0.13 -0.08 0.00 2.00 0.00 0.00 36.73 39.84 3m95 h TYR 61 CO 0.10 -0.15 0.19 0.35 -0.00 0.00 0.00 178.16 178.65 3m95 h PHE 62 N 0.08 0.32 0.00 4.88 3.57 -1.26 0.82 116.94 125.36 3m95 h PHE 62 Ca 0.26 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.58 3m95 h PHE 62 Cb 0.41 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3m95 h PHE 62 CO -0.36 0.04 -0.92 -0.07 -2.23 0.00 0.00 178.31 174.77 3m95 h LEU 63 N 0.35 0.42 -0.32 0.59 3.38 -1.06 -2.98 115.31 115.68 3m95 h LEU 63 Ca 0.32 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3m95 h LEU 63 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3m95 h LEU 63 CO -0.36 1.14 -0.61 0.40 0.09 0.00 0.00 178.44 179.10 3m95 h ILE 64 N 0.18 1.29 -0.90 1.22 1.08 -1.01 -1.45 117.51 117.92 3m95 h ILE 64 Ca -0.07 -1.82 0.13 0.00 -0.39 0.00 0.00 64.86 62.71 3m95 h ILE 64 Cb 1.55 1.76 -0.07 0.00 -3.07 0.00 0.00 36.82 37.00 3m95 h ILE 64 CO 0.15 0.58 0.58 0.03 -0.69 0.00 0.00 178.15 178.80 3m95 h ARG 65 N 0.57 0.76 -0.05 2.37 3.08 -0.84 -0.33 114.38 119.94 3m95 h ARG 65 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3m95 h ARG 65 Cb 1.21 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3m95 h ARG 65 CO 0.13 0.50 -0.02 0.87 -1.07 0.00 0.00 179.97 180.39 3m95 h LYS 66 N 0.79 0.10 -0.70 0.04 1.79 -1.32 -1.26 116.57 116.00 3m95 h LYS 66 Ca 0.44 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.99 3m95 h LYS 66 Cb 0.59 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.15 3m95 h LYS 66 CO -0.20 0.46 0.27 0.00 -1.08 0.00 0.00 179.45 178.90 3m95 h ARG 67 N -0.27 0.43 -0.01 3.15 2.47 -0.38 -1.73 114.38 118.03 3m95 h ARG 67 Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3m95 h ARG 67 Cb 0.43 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3m95 h ARG 67 CO 0.01 0.28 0.00 0.44 0.56 0.00 0.00 179.97 181.26 3m95 n ILE 68 N -5.00 0.01 -2.88 2.04 -5.35 -0.22 -4.71 119.36 103.25 3m95 n ILE 68 Ca 0.12 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 3m95 n ILE 68 Cb 0.36 0.08 0.04 0.00 -1.74 0.00 0.00 39.64 38.38 3m95 n ILE 68 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3m95 n HIS 69 N -0.31 -1.21 -1.51 4.28 8.25 -0.65 -4.83 115.22 119.24 3m95 n HIS 69 Ca 0.21 0.45 -0.31 0.00 -0.26 0.00 0.00 57.72 57.81 3m95 n HIS 69 Cb 0.25 -3.01 0.06 0.00 1.12 0.00 0.00 29.99 28.41 3m95 n HIS 69 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m95 s LEU 70 N -3.89 3.12 0.15 2.41 1.02 -0.53 -5.05 118.68 115.91 3m95 s LEU 70 Ca 0.18 1.67 0.03 0.00 0.02 0.00 0.00 54.13 56.02 3m95 s LEU 70 Cb -0.08 -4.50 -0.04 0.00 0.02 0.00 0.00 46.19 41.59 3m95 s LEU 70 CO 0.33 -1.56 0.27 -0.13 0.02 0.00 0.00 176.35 175.28 3m95 s ARG 71 N -4.99 3.40 0.39 1.70 0.52 -1.26 -4.89 118.95 113.82 3m95 s ARG 71 Ca 0.59 -0.62 0.17 0.00 -0.52 0.00 0.00 55.73 55.35 3m95 s ARG 71 Cb -0.15 -2.94 1.06 0.00 0.52 0.00 0.00 34.95 33.44 3m95 s ARG 71 CO 0.55 0.52 1.78 -1.35 0.02 0.00 0.00 175.30 176.81 3m95 h PRO 72 N 2.17 0.42 0.00 3.54 0.11 -2.00 -1.76 132.00 134.48 3m95 h PRO 72 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m95 h PRO 72 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m95 h PRO 72 CO 0.68 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3m95 n GLU 73 N -4.64 0.14 -2.99 1.05 0.00 -1.26 -4.82 120.64 108.11 3m95 n GLU 73 Ca 0.25 0.33 -0.35 0.00 0.00 0.00 0.00 57.16 57.38 3m95 n GLU 73 Cb 0.83 -1.74 -0.06 0.00 0.00 0.00 0.00 31.44 30.46 3m95 n GLU 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3m95 s ASP 74 N -3.85 7.08 0.21 -1.84 1.01 -0.66 -5.04 116.67 113.57 3m95 s ASP 74 Ca 0.06 1.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.74 3m95 s ASP 74 Cb 0.10 -2.47 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 3m95 s ASP 74 CO 0.39 -0.07 0.57 0.00 0.21 0.00 0.00 175.17 176.27 3m95 s ALA 75 N -1.69 3.54 -0.17 5.23 0.00 -1.26 -4.90 121.76 122.51 3m95 s ALA 75 Ca 0.49 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3m95 s ALA 75 Cb -0.15 -2.51 0.06 0.00 0.00 0.00 0.00 23.12 20.51 3m95 s ALA 75 CO 0.20 0.47 0.43 -1.17 0.00 0.00 0.00 175.76 175.70 3m95 s LEU 76 N -2.51 -0.03 -0.07 0.00 2.96 -1.26 -4.57 118.68 113.20 3m95 s LEU 76 Ca 0.44 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 3m95 s LEU 76 Cb -0.13 1.45 0.01 0.00 0.50 0.00 0.00 46.19 48.02 3m95 s LEU 76 CO 0.20 -0.19 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.54 3m95 s PHE 77 N 1.11 1.67 0.14 5.38 0.40 -0.27 -4.99 117.98 121.42 3m95 s PHE 77 Ca -0.07 -0.61 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 3m95 s PHE 77 Cb -0.07 -1.18 -0.08 0.00 0.51 0.00 0.00 43.02 42.20 3m95 s PHE 77 CO -0.10 -0.28 0.69 -0.06 0.70 0.00 0.00 175.22 176.17 3m95 s PHE 78 N 0.52 3.83 -0.09 0.36 0.08 -1.26 -1.28 117.98 120.14 3m95 s PHE 78 Ca -0.14 1.46 0.02 0.00 0.12 0.00 0.00 56.93 58.39 3m95 s PHE 78 Cb -0.15 -2.64 0.01 0.00 -0.57 0.00 0.00 43.02 39.67 3m95 s PHE 78 CO 0.04 0.52 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.48 3m95 s PHE 79 N -1.19 1.78 -0.14 0.36 0.40 0.10 -4.01 117.98 115.29 3m95 s PHE 79 Ca 0.34 -0.78 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 3m95 s PHE 79 Cb -0.21 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.03 3m95 s PHE 79 CO 0.23 -0.41 -0.19 0.08 0.70 0.00 0.00 175.22 175.63 3m95 s VAL 80 N 0.90 2.37 -1.41 -0.44 1.01 -0.27 -1.08 120.40 121.49 3m95 s VAL 80 Ca -0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 3m95 s VAL 80 Cb -0.15 -1.97 0.11 0.00 0.00 0.00 0.00 36.38 34.36 3m95 s VAL 80 CO 0.00 0.53 0.60 0.59 0.00 0.00 0.00 175.10 176.83 3m95 n ASN 81 N 3.98 -3.50 0.00 3.32 5.03 -1.26 -1.66 115.26 121.17 3m95 n ASN 81 Ca -0.19 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.65 3m95 n ASN 81 Cb 0.52 -2.89 0.00 0.00 -1.02 0.00 0.00 39.78 36.39 3m95 n ASN 81 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3m95 n ASN 82 N -2.41 -2.06 -4.23 6.41 2.85 -1.26 -5.00 115.26 109.55 3m95 n ASN 82 Ca 0.03 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.24 3m95 n ASN 82 Cb 0.52 -0.56 -0.14 0.00 1.24 0.00 0.00 39.78 40.83 3m95 n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3m95 s VAL 83 N -2.58 1.59 -0.18 3.44 1.01 -0.66 -4.84 120.40 118.17 3m95 s VAL 83 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3m95 s VAL 83 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3m95 s VAL 83 CO 0.00 0.27 1.31 -0.63 0.00 0.00 0.00 175.10 176.04 3m95 s ILE 84 N -0.69 4.19 0.60 2.22 1.01 -1.26 -1.11 121.20 126.16 3m95 s ILE 84 Ca 0.07 1.42 -0.09 0.00 0.00 0.00 0.00 60.65 62.06 3m95 s ILE 84 Cb -0.08 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3m95 s ILE 84 CO 0.01 -0.20 0.96 -2.16 0.00 0.00 0.00 174.94 173.55 3m95 s PRO 85 N 3.70 3.23 0.02 2.79 0.04 -1.26 -5.00 135.00 138.52 3m95 s PRO 85 Ca 0.57 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 3m95 s PRO 85 Cb -0.22 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3m95 s PRO 85 CO 0.18 -0.64 1.03 -1.25 0.04 0.00 0.00 177.00 176.36 3m95 s PRO 86 N -5.08 4.53 0.63 0.56 0.04 -1.26 -4.90 135.00 129.51 3m95 s PRO 86 Ca 0.54 1.51 0.33 0.00 0.04 0.00 0.00 61.00 63.42 3m95 s PRO 86 Cb -0.11 -3.43 1.87 0.00 0.04 0.00 0.00 34.50 32.87 3m95 s PRO 86 CO 0.49 -0.10 2.14 1.79 0.04 0.00 0.00 177.00 181.36 3m95 h THR 87 N 4.73 0.24 -0.86 1.26 1.35 -1.95 -2.90 112.91 114.78 3m95 h THR 87 Ca -0.41 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.47 3m95 h THR 87 Cb 1.22 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 68.44 3m95 h THR 87 CO 0.77 0.00 0.56 0.28 -0.25 0.00 0.00 175.52 176.88 3m95 h SER 88 N 0.00 0.96 -4.14 5.36 0.02 -1.97 -2.82 113.55 110.97 3m95 h SER 88 Ca 0.04 -0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 3m95 h SER 88 Cb 0.39 -0.23 0.10 0.00 0.14 0.00 0.00 62.40 62.80 3m95 h SER 88 CO -0.00 0.68 0.42 0.00 -1.14 0.00 0.00 176.83 176.79 3m95 s ALA 89 N -6.12 2.50 0.70 3.77 0.00 -1.09 -4.81 121.76 116.71 3m95 s ALA 89 Ca -0.13 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 3m95 s ALA 89 Cb 0.17 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3m95 s ALA 89 CO 0.80 -1.19 1.04 0.95 0.00 0.00 0.00 175.76 177.36 3m95 s THR 90 N -1.94 2.96 0.18 0.00 -4.23 -1.26 -1.45 115.64 109.89 3m95 s THR 90 Ca 0.72 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 61.48 3m95 s THR 90 Cb -0.25 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.38 3m95 s THR 90 CO 0.36 -0.32 1.66 0.24 -0.54 0.00 0.00 174.62 176.01 3m95 h MET 91 N -0.60 0.00 0.00 3.99 0.00 -0.28 -2.50 114.93 115.54 3m95 h MET 91 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.23 3m95 h MET 91 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.88 3m95 h MET 91 CO 0.63 0.49 -0.11 0.78 0.00 0.00 0.00 176.91 178.70 3m95 h GLY 92 N 2.13 0.00 0.00 8.32 0.00 -1.45 0.05 103.07 112.12 3m95 h GLY 92 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3m95 h GLY 92 CO 0.06 0.00 -1.54 -1.14 0.00 0.00 0.00 176.54 173.92 3m95 n SER 93 N -3.27 2.55 0.09 0.19 3.41 -1.23 -2.26 113.62 113.10 3m95 n SER 93 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 3m95 n SER 93 Cb 0.35 1.30 -0.07 0.00 -0.26 0.00 0.00 64.21 65.53 3m95 n SER 93 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3m95 h LEU 94 N 0.00 -0.19 0.08 1.04 6.46 -1.32 -2.08 115.31 119.30 3m95 h LEU 94 Ca -0.07 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3m95 h LEU 94 Cb 0.77 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3m95 h LEU 94 CO 0.00 -0.12 -0.19 0.22 -0.62 0.00 0.00 178.44 177.74 3m95 h TYR 95 N -0.17 -0.54 -1.07 1.25 3.20 -1.13 -1.66 116.97 116.85 3m95 h TYR 95 Ca -0.00 0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.23 3m95 h TYR 95 Cb 0.16 0.22 -0.14 0.00 1.54 0.00 0.00 36.73 38.51 3m95 h TYR 95 CO -0.10 -0.22 0.63 0.37 -1.64 0.00 0.00 178.16 177.20 3m95 h GLN 96 N -0.30 0.23 0.00 1.82 4.15 -1.52 0.23 115.11 119.72 3m95 h GLN 96 Ca -0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3m95 h GLN 96 Cb 0.28 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 3m95 h GLN 96 CO -0.08 0.15 -0.71 1.49 -1.93 0.00 0.00 178.83 177.75 3m95 h GLU 97 N 0.24 0.00 0.00 1.69 4.81 -1.27 -3.41 114.58 116.63 3m95 h GLU 97 Ca 0.76 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.99 3m95 h GLU 97 Cb 1.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.31 3m95 h GLU 97 CO -0.57 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 178.51 3m95 n HIS 98 N -2.87 0.00 -0.62 0.92 8.25 -0.58 -5.10 115.22 115.22 3m95 n HIS 98 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3m95 n HIS 98 Cb 0.59 0.01 0.19 0.00 1.12 0.00 0.00 29.99 31.91 3m95 n HIS 98 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3m95 n HIS 99 N 0.00 -0.36 -2.29 4.41 1.44 0.70 -4.71 115.22 114.40 3m95 n HIS 99 Ca 0.00 0.17 -0.25 0.00 -2.01 0.00 0.00 57.72 55.63 3m95 n HIS 99 Cb 0.50 -1.83 0.07 0.00 0.12 0.00 0.00 29.99 28.84 3m95 n HIS 99 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3m95 s ASP 100 N -2.41 4.85 0.50 4.39 2.15 0.52 -4.94 116.67 121.73 3m95 s ASP 100 Ca 0.65 0.33 0.19 0.00 0.43 0.00 0.00 52.55 54.15 3m95 s ASP 100 Cb -0.23 -1.00 1.28 0.00 -0.30 0.00 0.00 42.92 42.67 3m95 s ASP 100 CO 0.62 -1.55 2.10 -0.33 -0.17 0.00 0.00 175.17 175.85 3m95 h GLU 101 N -0.49 0.00 -0.00 4.34 4.39 -1.95 0.75 114.58 121.62 3m95 h GLU 101 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3m95 h GLU 101 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3m95 h GLU 101 CO 0.57 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.11 3m95 n ASP 102 N -4.24 0.01 -1.38 1.42 5.68 -1.26 -4.90 116.55 111.89 3m95 n ASP 102 Ca -0.03 -1.66 -0.18 0.00 -0.50 0.00 0.00 54.79 52.43 3m95 n ASP 102 Cb 0.16 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.07 3m95 n ASP 102 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3m95 n PHE 103 N -0.66 0.00 -3.59 2.11 3.01 0.26 -3.84 117.46 114.74 3m95 n PHE 103 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.30 3m95 n PHE 103 Cb 0.04 -3.19 -0.02 0.00 -0.01 0.00 0.00 39.48 36.30 3m95 n PHE 103 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3m95 s PHE 104 N -2.59 3.48 -0.21 1.38 0.40 -1.26 -4.75 117.98 114.44 3m95 s PHE 104 Ca 0.00 0.28 -0.10 0.00 -0.60 0.00 0.00 56.93 56.50 3m95 s PHE 104 Cb 0.00 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 3m95 s PHE 104 CO 0.00 0.26 0.15 -1.17 0.70 0.00 0.00 175.22 175.16 3m95 s LEU 105 N -3.95 4.19 -0.18 -0.37 2.96 -0.27 -0.36 118.68 120.69 3m95 s LEU 105 Ca 0.38 0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 54.43 3m95 s LEU 105 Cb -0.10 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3m95 s LEU 105 CO 0.32 0.14 0.07 -0.31 -1.32 0.00 0.00 176.35 175.26 3m95 s TYR 106 N 0.55 3.27 -0.10 5.38 1.51 -1.26 -0.98 117.35 125.73 3m95 s TYR 106 Ca 0.08 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 3m95 s TYR 106 Cb -0.12 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3m95 s TYR 106 CO 0.00 0.18 -0.09 0.42 -1.11 0.00 0.00 175.55 174.95 3m95 s ILE 107 N 0.34 1.06 0.25 2.71 1.01 -0.08 -4.53 121.20 121.96 3m95 s ILE 107 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3m95 s ILE 107 Cb -0.12 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3m95 s ILE 107 CO -0.00 0.36 0.33 0.00 0.00 0.00 0.00 174.94 175.62 3m95 s ALA 108 N 1.32 3.86 0.07 9.38 0.00 -0.24 -1.02 121.76 135.12 3m95 s ALA 108 Ca -0.02 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.66 3m95 s ALA 108 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3m95 s ALA 108 CO -0.04 0.23 -0.05 -0.59 0.00 0.00 0.00 175.76 175.31 3m95 s PHE 109 N -2.03 0.67 0.25 0.00 -0.12 -0.60 0.02 117.98 116.18 3m95 s PHE 109 Ca 0.34 -0.85 -0.15 0.00 -0.05 0.00 0.00 56.93 56.23 3m95 s PHE 109 Cb -0.09 -0.42 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 3m95 s PHE 109 CO 0.28 -0.21 0.53 0.45 -0.05 0.00 0.00 175.22 176.22 3m95 s SER 110 N -2.58 -0.14 0.00 1.98 0.15 -0.40 0.70 113.70 113.42 3m95 s SER 110 Ca 0.04 -0.84 0.26 0.00 0.70 0.00 0.00 55.95 56.11 3m95 s SER 110 Cb 0.02 0.62 0.60 0.00 -1.71 0.00 0.00 66.02 65.55 3m95 s SER 110 CO -0.05 -1.18 1.47 -0.90 1.20 0.00 0.00 173.24 173.78 3m95 n ASP 111 N -0.40 1.42 -4.68 5.45 5.75 -1.26 -1.11 116.55 121.72 3m95 n ASP 111 Ca -0.03 -1.18 -0.25 0.00 -0.01 0.00 0.00 54.79 53.33 3m95 n ASP 111 Cb 0.61 0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.82 3m95 n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3m95 s GLU 112 N -2.40 2.44 0.00 0.11 0.41 -1.26 -4.66 118.70 113.34 3m95 s GLU 112 Ca 0.25 -1.21 0.19 0.00 -0.41 0.00 0.00 54.97 53.79 3m95 s GLU 112 Cb 0.19 -2.32 1.06 0.00 -1.78 0.00 0.00 34.13 31.29 3m95 s GLU 112 CO 0.49 0.42 1.69 0.27 -0.49 0.00 0.00 175.26 177.64 3m95 n ASN 113 N -0.54 0.24 -4.22 -0.19 2.04 -1.26 -4.65 115.26 106.68 3m95 n ASN 113 Ca -0.08 -1.46 -0.31 0.00 -0.44 0.00 0.00 54.58 52.29 3m95 n ASN 113 Cb 0.57 -0.01 -0.17 0.00 -2.53 0.00 0.00 39.78 37.64 3m95 n ASN 113 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3m95 s VAL 114 N -1.97 1.98 -2.00 3.53 1.01 -1.26 -4.96 120.40 116.72 3m95 s VAL 114 Ca 0.29 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3m95 s VAL 114 Cb 0.14 -1.70 0.15 0.00 0.00 0.00 0.00 36.38 34.97 3m95 s VAL 114 CO 0.22 0.55 0.79 0.00 0.00 0.00 0.00 175.10 176.66