#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p0s s GLN 5 N 0.00 2.10 0.17 1.45 2.00 -1.26 -5.13 119.66 118.99 1p0s s GLN 5 Ca 0.00 -0.61 -0.30 0.00 -2.00 0.00 0.00 55.36 52.45 1p0s s GLN 5 Cb 0.00 -1.71 -0.08 0.00 0.80 0.00 0.00 33.01 32.03 1p0s s GLN 5 CO 0.00 0.15 1.13 -1.25 -0.50 0.00 0.00 175.29 174.82 1p0s s PRO 6 N 0.36 4.55 0.29 1.67 0.04 -1.26 -4.96 135.00 135.69 1p0s s PRO 6 Ca -0.12 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1p0s s PRO 6 Cb -0.15 -3.27 0.60 0.00 0.04 0.00 0.00 34.50 31.71 1p0s s PRO 6 CO 0.05 0.00 1.57 1.25 0.04 0.00 0.00 177.00 179.91 1p0s h LEU 7 N 5.28 -0.71 -0.78 -3.56 5.85 -2.00 0.38 115.31 119.77 1p0s h LEU 7 Ca -0.44 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1p0s h LEU 7 Cb 1.21 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1p0s h LEU 7 CO 0.74 -0.34 0.21 -0.62 -0.34 0.00 0.00 178.44 178.08 1p0s n GLU 8 N -5.56 0.08 0.07 1.25 4.71 -1.26 -1.43 120.64 118.51 1p0s n GLU 8 Ca 0.19 0.53 -0.11 0.00 -0.01 0.00 0.00 57.16 57.76 1p0s n GLU 8 Cb 0.62 -1.96 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 1p0s n GLU 8 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1p0s h LYS 9 N 0.00 0.33 0.15 3.49 3.64 -0.62 -3.31 116.57 120.26 1p0s h LYS 9 Ca 0.00 -0.34 -0.29 0.00 -1.27 0.00 0.00 60.65 58.75 1p0s h LYS 9 Cb 0.41 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1p0s h LYS 9 CO 0.00 1.03 -1.29 0.97 -2.27 0.00 0.00 179.45 177.89 1p0s h ILE 10 N 0.19 1.44 -2.44 2.00 -0.00 -1.41 -3.48 117.51 113.81 1p0s h ILE 10 Ca -0.06 -2.93 0.10 0.00 -0.00 0.00 0.00 64.86 61.97 1p0s h ILE 10 Cb 1.51 2.94 -0.13 0.00 -0.00 0.00 0.00 36.82 41.13 1p0s h ILE 10 CO 0.15 0.86 0.44 0.00 -0.00 0.00 0.00 178.15 179.59 1p0s s ALA 11 N -2.68 -1.74 -0.89 0.18 0.00 -1.22 -5.06 121.76 110.36 1p0s s ALA 11 Ca -0.05 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1p0s s ALA 11 Cb 0.06 0.55 -0.15 0.00 0.00 0.00 0.00 23.12 23.58 1p0s s ALA 11 CO 0.90 -0.77 3.04 -0.35 0.00 0.00 0.00 175.76 178.59 1p0s n PRO 12 N -0.31 2.77 -1.72 0.00 -0.04 -1.26 -4.07 135.00 130.37 1p0s n PRO 12 Ca -0.10 -1.60 -0.42 0.00 -0.04 0.00 0.00 63.50 61.35 1p0s n PRO 12 Cb 0.62 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1p0s n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p0s n TYR 13 N 3.22 2.78 -0.91 0.54 4.01 -1.26 -4.93 117.16 120.61 1p0s n TYR 13 Ca 0.59 0.06 -0.33 0.00 -0.16 0.00 0.00 57.90 58.06 1p0s n TYR 13 Cb 0.47 -2.67 0.12 0.00 -0.31 0.00 0.00 39.34 36.95 1p0s n TYR 13 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1p0s n PRO 14 N 3.74 -0.14 -3.05 -0.72 -0.04 -1.26 -4.91 135.00 128.62 1p0s n PRO 14 Ca 0.15 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 1p0s n PRO 14 Cb 0.35 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1p0s n PRO 14 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1p0s s GLN 15 N -3.73 4.06 0.07 0.54 2.00 -1.26 -4.98 119.66 116.35 1p0s s GLN 15 Ca 0.63 0.79 -0.33 0.00 -2.00 0.00 0.00 55.36 54.45 1p0s s GLN 15 Cb -0.25 -2.36 -0.12 0.00 0.80 0.00 0.00 33.01 31.07 1p0s s GLN 15 CO 0.61 0.10 1.75 0.00 -0.50 0.00 0.00 175.29 177.25 1p0s n ALA 16 N -0.45 1.40 -1.78 1.58 0.00 -1.26 -4.93 120.51 115.07 1p0s n ALA 16 Ca 0.04 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1p0s n ALA 16 Cb 0.53 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1p0s n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p0s s GLU 17 N 2.43 4.04 -0.30 0.00 2.12 -1.26 -4.85 118.70 120.89 1p0s s GLU 17 Ca 0.84 1.57 -0.34 0.00 0.36 0.00 0.00 54.97 57.40 1p0s s GLU 17 Cb -0.64 -2.48 -0.15 0.00 0.26 0.00 0.00 34.13 31.12 1p0s s GLU 17 CO 0.42 -0.26 1.11 0.36 -0.54 0.00 0.00 175.26 176.36 1p0s n LYS 18 N -0.23 0.00 -0.41 4.30 2.85 -1.26 -0.01 118.16 123.41 1p0s n LYS 18 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1p0s n LYS 18 Cb 0.49 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1p0s n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p0s n GLY 19 N 2.61 1.15 3.40 2.58 0.00 -1.26 -5.03 105.19 108.64 1p0s n GLY 19 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1p0s n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p0s s MET 20 N -0.39 1.49 0.08 1.61 -1.94 0.98 -1.86 119.30 119.28 1p0s s MET 20 Ca 0.00 -1.68 0.07 0.00 -1.71 0.00 0.00 55.69 52.38 1p0s s MET 20 Cb 0.00 -1.41 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 1p0s s MET 20 CO 0.00 0.25 -0.19 -1.59 -0.01 0.00 0.00 175.02 173.47 1p0s s LYS 21 N -3.59 1.11 -0.25 2.03 -2.85 0.82 -4.35 119.74 112.66 1p0s s LYS 21 Ca 0.26 -1.07 -0.13 0.00 -1.00 0.00 0.00 55.97 54.03 1p0s s LYS 21 Cb -0.02 -1.29 -0.04 0.00 -2.06 0.00 0.00 37.83 34.41 1p0s s LYS 21 CO 0.11 0.31 0.28 0.50 0.10 0.00 0.00 175.35 176.64 1p0s s ARG 22 N -1.71 4.05 -0.06 1.78 3.52 -1.26 -1.77 118.95 123.50 1p0s s ARG 22 Ca 0.05 -0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1p0s s ARG 22 Cb -0.10 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1p0s s ARG 22 CO 0.03 -0.11 -0.17 -0.65 -0.81 0.00 0.00 175.30 173.60 1p0s s GLN 23 N 1.55 2.64 0.13 5.12 -0.21 0.29 -4.98 119.66 124.20 1p0s s GLN 23 Ca 0.12 -0.74 0.09 0.00 0.02 0.00 0.00 55.36 54.85 1p0s s GLN 23 Cb -0.15 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 1p0s s GLN 23 CO 0.08 0.51 -0.17 0.08 -2.12 0.00 0.00 175.29 173.67 1p0s s VAL 24 N -0.44 2.86 -0.31 1.09 1.01 -1.26 -0.64 120.40 122.70 1p0s s VAL 24 Ca 0.05 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1p0s s VAL 24 Cb -0.12 -2.32 0.10 0.00 0.00 0.00 0.00 36.38 34.03 1p0s s VAL 24 CO 0.02 0.07 0.08 -0.63 0.00 0.00 0.00 175.10 174.64 1p0s s ILE 25 N -1.23 1.07 -0.35 2.22 1.01 0.19 -4.95 121.20 119.16 1p0s s ILE 25 Ca 0.19 -1.49 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 1p0s s ILE 25 Cb -0.10 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1p0s s ILE 25 CO 0.11 -0.63 0.37 -1.58 0.00 0.00 0.00 174.94 173.21 1p0s s GLN 26 N 1.52 3.51 0.36 2.79 2.00 -1.26 -1.99 119.66 126.59 1p0s s GLN 26 Ca 0.09 -0.45 -0.23 0.00 -2.00 0.00 0.00 55.36 52.77 1p0s s GLN 26 Cb -0.17 -3.82 -0.10 0.00 0.80 0.00 0.00 33.01 29.71 1p0s s GLN 26 CO -0.22 -0.57 0.91 -0.51 -0.50 0.00 0.00 175.29 174.41 1p0s s LEU 27 N 2.04 4.15 -0.06 3.68 1.43 -1.26 -5.02 118.68 123.64 1p0s s LEU 27 Ca 0.12 1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1p0s s LEU 27 Cb -0.17 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1p0s s LEU 27 CO 0.12 -0.19 1.30 -0.89 0.23 0.00 0.00 176.35 176.91 1p0s s THR 28 N -1.87 4.06 0.26 5.49 2.01 -1.26 -4.64 115.64 119.68 1p0s s THR 28 Ca 0.55 1.38 -0.31 0.00 0.31 0.00 0.00 61.69 63.62 1p0s s THR 28 Cb -0.14 -3.89 -0.13 0.00 0.01 0.00 0.00 72.50 68.36 1p0s s THR 28 CO 0.19 -0.03 1.44 -2.65 -0.69 0.00 0.00 174.62 172.88 1p0s n PRO 29 N 5.63 2.21 -4.39 4.92 -0.02 -1.26 -4.85 135.00 137.23 1p0s n PRO 29 Ca 0.13 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.19 1p0s n PRO 29 Cb 0.45 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 1p0s n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1p0s s GLN 30 N -0.56 1.46 0.07 -0.52 -1.52 -1.26 -5.07 119.66 112.25 1p0s s GLN 30 Ca 0.66 -1.69 -0.33 0.00 -1.95 0.00 0.00 55.36 52.05 1p0s s GLN 30 Cb -0.60 -1.23 -0.19 0.00 -0.22 0.00 0.00 33.01 30.76 1p0s s GLN 30 CO 0.50 0.16 1.60 1.49 -0.25 0.00 0.00 175.29 178.79 1p0s h GLU 31 N 2.42 -0.89 -2.97 2.91 4.81 -2.06 -3.37 114.58 115.43 1p0s h GLU 31 Ca -0.39 0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.28 1p0s h GLU 31 Cb 1.23 0.20 -0.42 0.00 0.63 0.00 0.00 28.75 30.40 1p0s h GLU 31 CO 0.64 -0.59 -0.61 -3.47 -0.73 0.00 0.00 179.01 174.25 1p0s n ASP 32 N -5.48 2.77 0.00 1.04 2.03 -1.26 -4.93 116.55 110.72 1p0s n ASP 32 Ca -0.14 -3.16 0.04 0.00 0.52 0.00 0.00 54.79 52.06 1p0s n ASP 32 Cb 0.38 -0.74 0.20 0.00 -0.72 0.00 0.00 41.12 40.24 1p0s n ASP 32 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1p0s n GLU 33 N 1.95 0.01 0.24 -0.67 1.02 -1.26 -2.48 120.64 119.45 1p0s n GLU 33 Ca 0.21 0.33 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 1p0s n GLU 33 Cb 0.37 -1.50 0.55 0.00 -0.02 0.00 0.00 31.44 30.84 1p0s n GLU 33 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1p0s h SER 34 N 0.00 0.00 -0.87 1.62 0.02 -1.91 -1.59 113.55 110.82 1p0s h SER 34 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1p0s h SER 34 Cb 0.15 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.47 1p0s h SER 34 CO 0.00 0.14 0.47 0.35 -1.14 0.00 0.00 176.83 176.65 1p0s n THR 35 N -4.30 3.05 -4.19 -2.27 -2.24 -1.03 -4.89 114.28 98.40 1p0s n THR 35 Ca -0.03 -1.75 -0.16 0.00 -2.27 0.00 0.00 64.05 59.85 1p0s n THR 35 Cb 0.21 -0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 1p0s n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p0s s LEU 36 N -3.10 2.06 0.06 3.22 1.02 -0.60 -1.28 118.68 120.06 1p0s s LEU 36 Ca 0.55 -0.19 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 1p0s s LEU 36 Cb 0.45 -0.30 -0.04 0.00 0.02 0.00 0.00 46.19 46.32 1p0s s LEU 36 CO 0.12 0.03 -0.04 -0.54 0.02 0.00 0.00 176.35 175.94 1p0s s LYS 37 N -0.40 0.65 -0.09 1.70 1.02 -0.42 -2.31 119.74 119.89 1p0s s LYS 37 Ca 0.00 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.78 1p0s s LYS 37 Cb -0.04 0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1p0s s LYS 37 CO -0.00 -0.09 -0.12 0.54 -0.92 0.00 0.00 175.35 174.76 1p0s s VAL 38 N -3.76 1.23 -0.15 3.17 0.11 0.58 -0.50 120.40 121.09 1p0s s VAL 38 Ca 0.07 -0.49 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 1p0s s VAL 38 Cb 0.07 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1p0s s VAL 38 CO -0.08 0.39 0.50 -0.70 -3.33 0.00 0.00 175.10 171.87 1p0s s GLU 39 N 1.04 4.29 -0.04 1.54 2.12 0.09 -0.37 118.70 127.37 1p0s s GLU 39 Ca -0.07 0.45 -0.17 0.00 0.36 0.00 0.00 54.97 55.55 1p0s s GLU 39 Cb -0.15 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 1p0s s GLU 39 CO -0.01 0.05 0.45 -0.51 -0.54 0.00 0.00 175.26 174.70 1p0s s LEU 40 N 0.98 4.40 -0.15 2.70 1.43 0.21 -1.40 118.68 126.85 1p0s s LEU 40 Ca 0.26 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1p0s s LEU 40 Cb -0.15 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1p0s s LEU 40 CO 0.10 0.19 -0.19 -0.76 0.23 0.00 0.00 176.35 175.92 1p0s s LEU 41 N -0.38 2.01 -0.08 1.79 1.43 0.30 -4.89 118.68 118.86 1p0s s LEU 41 Ca 0.25 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1p0s s LEU 41 Cb -0.16 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1p0s s LEU 41 CO 0.13 0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 176.03 1p0s s ILE 42 N 1.08 0.87 -1.22 -0.59 1.01 -1.26 -0.62 121.20 120.46 1p0s s ILE 42 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1p0s s ILE 42 Cb -0.14 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1p0s s ILE 42 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1p0s n GLY 43 N 4.37 -1.29 3.17 6.18 0.00 -0.93 0.26 105.19 116.95 1p0s n GLY 43 Ca -0.18 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1p0s n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p0s s GLN 44 N -0.59 0.84 -0.54 1.61 -2.07 -0.65 -1.11 119.66 117.15 1p0s s GLN 44 Ca 0.00 -1.30 -0.27 0.00 -1.82 0.00 0.00 55.36 51.97 1p0s s GLN 44 Cb 0.00 -0.27 0.03 0.00 -1.09 0.00 0.00 33.01 31.68 1p0s s GLN 44 CO 0.00 0.00 1.08 0.99 -1.32 0.00 0.00 175.29 176.04 1p0s s THR 45 N -3.38 4.21 0.35 3.63 2.01 -1.26 -1.11 115.64 120.09 1p0s s THR 45 Ca 0.10 0.78 0.09 0.00 0.31 0.00 0.00 61.69 62.97 1p0s s THR 45 Cb 0.04 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 1p0s s THR 45 CO -0.04 -1.15 0.05 -0.76 -0.69 0.00 0.00 174.62 172.03 1p0s s LEU 46 N 4.43 3.03 -0.24 4.42 1.43 -0.40 -4.89 118.68 126.45 1p0s s LEU 46 Ca 0.40 -0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 1p0s s LEU 46 Cb -0.09 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1p0s s LEU 46 CO 0.25 -0.29 0.43 -0.70 0.23 0.00 0.00 176.35 176.28 1p0s s GLU 47 N -3.75 4.09 0.06 1.70 2.12 -1.26 -1.11 118.70 120.55 1p0s s GLU 47 Ca 0.36 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.92 1p0s s GLU 47 Cb 0.01 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1p0s s GLU 47 CO 0.20 -0.22 -0.11 0.14 -0.54 0.00 0.00 175.26 174.74 1p0s s VAL 48 N 1.88 0.81 0.00 3.70 -7.23 0.30 -4.92 120.40 114.95 1p0s s VAL 48 Ca 0.19 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1p0s s VAL 48 Cb -0.15 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1p0s s VAL 48 CO 0.09 -0.34 0.00 -0.90 -0.31 0.00 0.00 175.10 173.64 1p0s n ASP 49 N 1.28 0.00 0.04 4.85 5.68 -1.26 -1.52 116.55 125.62 1p0s n ASP 49 Ca -0.21 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.21 1p0s n ASP 49 Cb 0.55 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.96 1p0s n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p0s s ASN 51 N -3.67 4.93 -0.20 0.00 0.01 -1.26 -4.98 114.94 109.76 1p0s s ASN 51 Ca 0.11 1.84 -0.25 0.00 -0.71 0.00 0.00 52.86 53.85 1p0s s ASN 51 Cb 0.16 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1p0s s ASN 51 CO 0.60 -1.75 0.84 -0.22 -1.51 0.00 0.00 177.10 175.07 1p0s s LEU 52 N -5.43 4.13 -0.04 0.60 2.96 -1.26 -4.89 118.68 114.75 1p0s s LEU 52 Ca 0.63 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.68 1p0s s LEU 52 Cb -0.17 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1p0s s LEU 52 CO 0.50 -0.47 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.00 1p0s s HIS 53 N 2.52 2.92 0.17 5.38 3.76 -1.26 -2.74 115.29 126.04 1p0s s HIS 53 Ca 0.37 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 55.30 1p0s s HIS 53 Cb -0.16 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 1p0s s HIS 53 CO 0.10 0.36 -0.01 1.03 -0.85 0.00 0.00 174.74 175.36 1p0s s ARG 54 N -1.09 1.11 -0.22 1.40 1.81 -0.92 -4.63 118.95 116.41 1p0s s ARG 54 Ca 0.15 -1.53 -0.06 0.00 -1.72 0.00 0.00 55.73 52.57 1p0s s ARG 54 Cb -0.11 -0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 34.02 1p0s s ARG 54 CO 0.04 -0.10 0.03 -1.17 -0.68 0.00 0.00 175.30 173.42 1p0s s LEU 55 N -3.18 3.35 0.73 2.53 2.96 0.38 -4.08 118.68 121.37 1p0s s LEU 55 Ca 0.23 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1p0s s LEU 55 Cb 0.06 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1p0s s LEU 55 CO 0.03 0.04 1.07 -0.83 -1.32 0.00 0.00 176.35 175.35 1p0s s GLY 56 N 1.17 1.68 0.00 7.98 0.00 0.10 -4.00 107.32 114.25 1p0s s GLY 56 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1p0s s GLY 56 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1p0s n GLY 57 N -1.62 4.33 3.63 0.20 0.00 -1.26 -1.30 105.19 109.17 1p0s n GLY 57 Ca 0.08 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1p0s n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p0s s LYS 58 N -3.75 2.82 -0.35 1.61 1.02 -1.05 -4.72 119.74 115.31 1p0s s LYS 58 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 1p0s s LYS 58 Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1p0s s LYS 58 CO 0.00 0.67 0.29 -1.17 -0.92 0.00 0.00 175.35 174.23 1p0s s LEU 59 N -0.94 4.60 -0.04 3.17 2.96 -1.26 -2.66 118.68 124.51 1p0s s LEU 59 Ca 0.14 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 1p0s s LEU 59 Cb -0.11 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1p0s s LEU 59 CO 0.03 -0.31 0.27 -0.70 -1.32 0.00 0.00 176.35 174.31 1p0s s GLU 60 N 1.82 3.63 -0.34 1.98 2.56 0.15 -4.95 118.70 123.55 1p0s s GLU 60 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 54.97 55.01 1p0s s GLU 60 Cb -0.17 -3.15 0.02 0.00 2.00 0.00 0.00 34.13 32.82 1p0s s GLU 60 CO 0.11 0.70 0.16 1.21 -0.56 0.00 0.00 175.26 176.88 1p0s s ASN 61 N -1.29 5.52 0.42 -1.70 3.84 -1.26 -1.84 114.94 118.63 1p0s s ASN 61 Ca 0.22 -0.86 0.07 0.00 0.21 0.00 0.00 52.86 52.50 1p0s s ASN 61 Cb -0.14 -1.97 -0.05 0.00 -0.55 0.00 0.00 41.25 38.54 1p0s s ASN 61 CO 0.11 -0.30 0.18 -0.54 -2.79 0.00 0.00 177.10 173.76 1p0s s LYS 62 N 1.53 2.22 0.01 0.43 1.02 -0.87 -5.01 119.74 119.08 1p0s s LYS 62 Ca 0.02 -1.86 0.01 0.00 0.02 0.00 0.00 55.97 54.15 1p0s s LYS 62 Cb -0.18 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1p0s s LYS 62 CO 0.05 -0.13 -0.03 0.95 -0.92 0.00 0.00 175.35 175.28 1p0s s THR 63 N -2.61 0.16 -0.87 2.17 -4.23 -1.26 -2.09 115.64 106.92 1p0s s THR 63 Ca 0.40 -0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.24 1p0s s THR 63 Cb 0.04 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.64 1p0s s THR 63 CO 0.22 -0.17 1.88 -0.76 -0.54 0.00 0.00 174.62 175.25 1p0s s LEU 64 N -0.63 3.21 -0.32 4.79 1.43 0.22 -4.87 118.68 122.51 1p0s s LEU 64 Ca -0.06 -0.59 -0.32 0.00 -1.03 0.00 0.00 54.13 52.13 1p0s s LEU 64 Cb -0.04 -2.56 -0.14 0.00 0.03 0.00 0.00 46.19 43.48 1p0s s LEU 64 CO -0.00 -2.57 1.07 -0.62 0.23 0.00 0.00 176.35 174.47 1p0s n GLU 65 N 8.92 0.00 -0.73 1.70 1.02 -1.26 0.04 120.64 130.33 1p0s n GLU 65 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1p0s n GLU 65 Cb 0.48 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1p0s n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p0s n GLY 66 N 2.62 0.86 0.03 0.62 0.00 -1.26 -4.86 105.19 103.19 1p0s n GLY 66 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 1p0s n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p0s n TRP 67 N -2.02 0.00 -0.96 1.61 7.02 0.11 -4.99 117.44 118.21 1p0s n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1p0s n TRP 67 Cb 0.00 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 1p0s n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1p0s n GLY 68 N 2.59 0.56 3.70 6.99 0.00 -1.23 -5.01 105.19 112.79 1p0s n GLY 68 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1p0s n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p0s s TYR 69 N -2.17 3.36 0.48 1.61 2.02 -1.26 -4.96 117.35 116.43 1p0s s TYR 69 Ca 0.00 0.24 0.08 0.00 -0.37 0.00 0.00 57.07 57.03 1p0s s TYR 69 Cb 0.00 -2.13 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1p0s s TYR 69 CO 0.00 0.25 0.62 0.16 -1.57 0.00 0.00 175.55 175.01 1p0s s ASP 70 N 0.35 5.33 0.01 2.29 -4.77 -1.26 0.71 116.67 119.32 1p0s s ASP 70 Ca 0.06 -0.66 -0.28 0.00 -3.30 0.00 0.00 52.55 48.37 1p0s s ASP 70 Cb -0.11 -0.23 0.10 0.00 -1.09 0.00 0.00 42.92 41.58 1p0s s ASP 70 CO -0.01 -0.98 0.90 -0.72 0.70 0.00 0.00 175.17 175.05 1p0s s TYR 71 N -2.51 -0.32 0.05 2.11 1.13 -0.89 -4.68 117.35 112.24 1p0s s TYR 71 Ca 0.56 0.17 0.08 0.00 -1.41 0.00 0.00 57.07 56.47 1p0s s TYR 71 Cb -0.07 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1p0s s TYR 71 CO 0.34 -0.57 -0.23 0.71 -2.51 0.00 0.00 175.55 173.30 1p0s s TYR 72 N -3.12 2.43 -0.10 -3.49 1.51 0.84 -2.04 117.35 113.37 1p0s s TYR 72 Ca 0.06 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1p0s s TYR 72 Cb -0.01 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1p0s s TYR 72 CO -0.08 0.19 -0.16 0.54 -1.11 0.00 0.00 175.55 174.93 1p0s s VAL 73 N -0.87 1.54 -0.45 0.71 0.11 -0.76 0.74 120.40 121.42 1p0s s VAL 73 Ca 0.13 -0.68 -0.13 0.00 -2.93 0.00 0.00 61.98 58.37 1p0s s VAL 73 Cb -0.10 -1.40 0.07 0.00 -1.53 0.00 0.00 36.38 33.42 1p0s s VAL 73 CO 0.04 0.45 0.33 0.12 -3.33 0.00 0.00 175.10 172.71 1p0s s PHE 74 N 0.87 3.28 0.52 1.54 5.36 0.11 -0.68 117.98 128.98 1p0s s PHE 74 Ca -0.09 -1.12 0.01 0.00 -0.96 0.00 0.00 56.93 54.77 1p0s s PHE 74 Cb -0.15 -3.03 -0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1p0s s PHE 74 CO 0.00 -0.80 0.01 0.16 -1.46 0.00 0.00 175.22 173.14 1p0s s ASP 75 N 2.33 4.06 -1.77 6.13 1.47 -1.09 -4.26 116.67 123.54 1p0s s ASP 75 Ca 0.04 -1.70 0.00 0.00 1.18 0.00 0.00 52.55 52.06 1p0s s ASP 75 Cb -0.23 0.66 0.00 0.00 -0.34 0.00 0.00 42.92 43.01 1p0s s ASP 75 CO 0.05 -0.92 0.00 0.29 0.68 0.00 0.00 175.17 175.27 1p0s n LYS 76 N -1.28 -1.46 -1.57 2.11 4.01 -1.26 -2.54 118.16 116.17 1p0s n LYS 76 Ca -0.20 0.99 -0.54 0.00 -0.51 0.00 0.00 58.31 58.05 1p0s n LYS 76 Cb 0.67 -5.35 -0.07 0.00 -0.51 0.00 0.00 35.03 29.77 1p0s n LYS 76 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1p0s n VAL 77 N -2.37 0.28 -4.20 -0.18 3.14 -1.26 -3.98 118.33 109.75 1p0s n VAL 77 Ca -0.18 -0.14 -0.20 0.00 -2.96 0.00 0.00 64.34 60.87 1p0s n VAL 77 Cb 0.58 -1.44 -0.12 0.00 -1.06 0.00 0.00 33.84 31.80 1p0s n VAL 77 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1p0s s SER 78 N 5.30 1.90 0.11 6.55 0.15 -0.42 -4.92 113.70 122.37 1p0s s SER 78 Ca 1.03 -0.65 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 1p0s s SER 78 Cb -0.96 -0.07 0.07 0.00 -1.71 0.00 0.00 66.02 63.34 1p0s s SER 78 CO 0.57 -0.05 0.59 -0.55 1.20 0.00 0.00 173.24 175.00 1p0s s SER 79 N -1.84 -0.55 0.78 5.45 0.15 -1.26 0.03 113.70 116.46 1p0s s SER 79 Ca 0.01 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.74 1p0s s SER 79 Cb -0.10 0.57 0.11 0.00 -1.71 0.00 0.00 66.02 64.89 1p0s s SER 79 CO 0.03 -0.87 0.69 -0.81 1.20 0.00 0.00 173.24 173.48 1p0s n PRO 80 N -0.04 -0.26 -3.46 5.44 -0.04 -1.26 -5.07 135.00 130.31 1p0s n PRO 80 Ca -0.17 -1.46 0.01 0.00 -0.04 0.00 0.00 63.50 61.84 1p0s n PRO 80 Cb 0.63 -0.59 -0.04 0.00 -0.04 0.00 0.00 33.50 33.46 1p0s n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1p0s s VAL 81 N -2.22 -0.75 0.20 0.52 0.11 -1.26 -4.88 120.40 112.12 1p0s s VAL 81 Ca 0.42 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.24 1p0s s VAL 81 Cb -0.02 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1p0s s VAL 81 CO 0.29 0.00 0.79 -0.94 -3.33 0.00 0.00 175.10 171.91 1p0s s SER 82 N 2.71 -0.29 1.05 3.54 1.04 -1.26 -2.17 113.70 118.32 1p0s s SER 82 Ca -0.01 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 1p0s s SER 82 Cb -0.10 0.60 0.21 0.00 0.10 0.00 0.00 66.02 66.84 1p0s s SER 82 CO -0.18 -1.09 1.08 0.42 0.98 0.00 0.00 173.24 174.46 1p0s s THR 83 N -3.62 1.97 -0.54 2.02 -4.23 -1.11 -4.98 115.64 105.16 1p0s s THR 83 Ca 0.09 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 1p0s s THR 83 Cb -0.03 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.75 1p0s s THR 83 CO 0.01 0.00 1.14 0.54 -0.54 0.00 0.00 174.62 175.77 1p0s n ARG 84 N -4.35 3.40 -3.76 3.99 1.74 -1.26 -4.80 116.66 111.62 1p0s n ARG 84 Ca 0.05 -4.58 -0.25 0.00 -0.77 0.00 0.00 57.85 52.30 1p0s n ARG 84 Cb 0.57 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 1p0s n ARG 84 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1p0s s MET 85 N -3.58 3.48 0.04 5.56 -1.94 -1.26 -5.09 119.30 116.51 1p0s s MET 85 Ca 0.48 -0.48 -0.13 0.00 -1.71 0.00 0.00 55.69 53.85 1p0s s MET 85 Cb 0.35 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 34.28 1p0s s MET 85 CO -0.19 0.40 0.43 0.00 -0.01 0.00 0.00 175.02 175.65 1p0s s ALA 86 N -1.92 3.69 -0.74 3.03 0.00 -1.26 -4.85 121.76 119.70 1p0s s ALA 86 Ca 0.37 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1p0s s ALA 86 Cb -0.10 -2.37 0.18 0.00 0.00 0.00 0.00 23.12 20.82 1p0s s ALA 86 CO 0.30 0.50 0.57 0.00 0.00 0.00 0.00 175.76 177.13 1p0s h PRO 88 N 5.98 0.16 -0.07 0.00 0.11 -2.02 0.25 132.00 136.41 1p0s h PRO 88 Ca 0.10 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1p0s h PRO 88 Cb 0.82 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1p0s h PRO 88 CO 0.77 0.10 -0.14 0.38 -0.21 0.00 0.00 178.00 178.90 1p0s h ASP 89 N 0.16 0.10 0.00 -2.05 2.03 -2.05 -3.46 116.42 111.15 1p0s h ASP 89 Ca 0.60 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.89 1p0s h ASP 89 Cb 2.01 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.49 1p0s h ASP 89 CO -0.15 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 178.92 1p0s n GLY 90 N -1.01 0.50 3.60 7.15 0.00 0.88 -4.93 105.19 111.38 1p0s n GLY 90 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1p0s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p0s s LYS 91 N -0.52 3.43 0.05 1.61 0.00 -1.26 -4.99 119.74 118.05 1p0s s LYS 91 Ca 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 55.97 57.33 1p0s s LYS 91 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 37.83 33.63 1p0s s LYS 91 CO 0.00 -1.75 0.24 0.15 0.00 0.00 0.00 175.35 173.99 1p0s s LYS 92 N 5.44 3.49 0.11 1.78 1.02 -1.26 -4.49 119.74 125.82 1p0s s LYS 92 Ca 0.76 -0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.42 1p0s s LYS 92 Cb -0.21 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1p0s s LYS 92 CO 0.33 0.61 0.08 -1.21 -0.92 0.00 0.00 175.35 174.24 1p0s s GLU 93 N -2.29 0.87 -0.33 1.68 2.02 -0.58 -4.95 118.70 115.12 1p0s s GLU 93 Ca 0.33 -1.29 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 1p0s s GLU 93 Cb -0.13 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.39 1p0s s GLU 93 CO 0.24 -0.25 0.12 0.15 0.02 0.00 0.00 175.26 175.54 1p0s s LYS 94 N -3.98 2.82 0.30 1.61 1.02 -1.26 0.11 119.74 120.36 1p0s s LYS 94 Ca 0.16 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.13 1p0s s LYS 94 Cb 0.07 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 1p0s s LYS 94 CO -0.03 -0.61 0.08 -1.59 -0.92 0.00 0.00 175.35 172.28 1p0s s LYS 95 N 1.47 1.55 -0.79 1.68 -2.85 -0.27 -4.90 119.74 115.63 1p0s s LYS 95 Ca 0.01 -1.85 -0.26 0.00 -1.00 0.00 0.00 55.97 52.86 1p0s s LYS 95 Cb -0.19 -0.59 0.04 0.00 -2.06 0.00 0.00 37.83 35.03 1p0s s LYS 95 CO 0.04 -0.24 1.28 0.12 0.10 0.00 0.00 175.35 176.65 1p0s s PHE 96 N -3.50 2.38 -0.16 1.78 5.36 -1.26 -1.28 117.98 121.31 1p0s s PHE 96 Ca 0.37 -0.28 -0.25 0.00 -0.96 0.00 0.00 56.93 55.81 1p0s s PHE 96 Cb 0.08 -4.61 -0.02 0.00 -0.34 0.00 0.00 43.02 38.14 1p0s s PHE 96 CO 0.15 -2.00 0.82 0.08 -1.46 0.00 0.00 175.22 172.81 1p0s s VAL 97 N 5.38 4.90 0.29 3.12 1.01 -0.27 -4.90 120.40 129.93 1p0s s VAL 97 Ca 0.36 1.62 0.08 0.00 0.00 0.00 0.00 61.98 64.04 1p0s s VAL 97 Cb -0.07 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1p0s s VAL 97 CO 0.09 0.05 0.19 0.42 0.00 0.00 0.00 175.10 175.85 1p0s s THR 98 N 2.01 3.86 0.44 3.92 -4.23 -1.26 -1.64 115.64 118.74 1p0s s THR 98 Ca 0.38 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1p0s s THR 98 Cb -0.17 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 1p0s s THR 98 CO 0.13 -0.28 0.66 0.00 -0.54 0.00 0.00 174.62 174.59 1p0s s ALA 99 N -2.25 3.76 0.03 3.99 0.00 0.14 -0.47 121.76 126.96 1p0s s ALA 99 Ca 0.36 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 1p0s s ALA 99 Cb -0.06 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.86 1p0s s ALA 99 CO 0.24 -0.35 0.45 -0.47 0.00 0.00 0.00 175.76 175.64 1p0s s TYR 100 N -2.54 3.72 0.00 0.00 5.04 -1.26 -4.75 117.35 117.57 1p0s s TYR 100 Ca 0.48 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1p0s s TYR 100 Cb -0.10 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1p0s s TYR 100 CO 0.38 0.61 0.00 1.28 -1.34 0.00 0.00 175.55 176.47 1p0s n LEU 101 N 1.63 0.10 0.00 6.97 4.77 -1.26 -4.74 117.00 124.47 1p0s n LEU 101 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1p0s n LEU 101 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1p0s n LEU 101 CO 0.39 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1p0s n GLY 102 N 1.12 4.01 3.79 -0.72 0.00 -1.26 -4.28 105.19 107.84 1p0s n GLY 102 Ca 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1p0s n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p0s s ASP 103 N -4.00 5.68 0.00 1.61 1.01 -1.26 -0.86 116.67 118.85 1p0s s ASP 103 Ca 0.00 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1p0s s ASP 103 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1p0s s ASP 103 CO 0.00 -1.24 0.00 0.00 0.21 0.00 0.00 175.17 174.14 1p0s n ALA 104 N -1.83 0.00 0.11 5.23 0.00 -1.26 -4.65 120.51 118.11 1p0s n ALA 104 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1p0s n ALA 104 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1p0s n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p0s n GLY 105 N -2.18 0.13 3.06 0.00 0.00 -0.04 -4.89 105.19 101.27 1p0s n GLY 105 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1p0s n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p0s s MET 106 N -1.93 2.27 0.19 1.61 0.00 -1.19 0.64 119.30 120.88 1p0s s MET 106 Ca -0.00 -0.58 0.07 0.00 0.00 0.00 0.00 55.69 55.18 1p0s s MET 106 Cb 0.04 -1.93 -0.05 0.00 0.00 0.00 0.00 34.83 32.89 1p0s s MET 106 CO 0.21 -0.07 -0.14 -0.51 0.00 0.00 0.00 175.02 174.51 1p0s s LEU 107 N 1.01 2.54 0.18 4.11 1.43 0.50 -4.91 118.68 123.53 1p0s s LEU 107 Ca -0.06 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 51.74 1p0s s LEU 107 Cb -0.15 -0.62 -0.09 0.00 0.03 0.00 0.00 46.19 45.36 1p0s s LEU 107 CO -0.02 -0.19 1.46 -0.60 0.23 0.00 0.00 176.35 177.23 1p0s s ARG 108 N -3.55 4.28 -0.23 1.70 3.52 -1.26 -0.31 118.95 123.10 1p0s s ARG 108 Ca 0.20 2.24 -0.29 0.00 -0.13 0.00 0.00 55.73 57.75 1p0s s ARG 108 Cb -0.01 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1p0s s ARG 108 CO 0.05 -0.47 1.45 -0.47 -0.81 0.00 0.00 175.30 175.05 1p0s s TYR 109 N 0.71 2.41 -0.29 5.12 6.14 -0.98 -4.69 117.35 125.77 1p0s s TYR 109 Ca 0.64 0.70 -0.03 0.00 0.64 0.00 0.00 57.07 59.02 1p0s s TYR 109 Cb -0.41 -3.89 0.11 0.00 0.42 0.00 0.00 41.96 38.20 1p0s s TYR 109 CO 0.35 -2.37 0.16 1.21 0.64 0.00 0.00 175.55 175.54 1p0s s ASN 110 N 3.33 3.26 0.19 4.32 3.84 -1.26 -4.79 114.94 123.83 1p0s s ASN 110 Ca 0.64 -1.29 0.20 0.00 0.21 0.00 0.00 52.86 52.61 1p0s s ASN 110 Cb -0.22 -0.24 0.86 0.00 -0.55 0.00 0.00 41.25 41.10 1p0s s ASN 110 CO 0.25 -0.42 1.61 -1.54 -2.79 0.00 0.00 177.10 174.21 1p0s n SER 111 N 5.17 0.46 0.04 -4.21 3.41 -1.26 -2.57 113.62 114.65 1p0s n SER 111 Ca -0.04 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1p0s n SER 111 Cb 0.42 -0.72 0.47 0.00 -0.26 0.00 0.00 64.21 64.12 1p0s n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p0s n LYS 112 N -2.02 0.08 -3.98 4.33 5.02 -1.26 -4.72 118.16 115.60 1p0s n LYS 112 Ca 0.02 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 1p0s n LYS 112 Cb 0.19 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.44 1p0s n LYS 112 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p0s s LEU 113 N -3.51 2.03 0.56 -0.35 1.43 -1.06 -5.15 118.68 112.63 1p0s s LEU 113 Ca 0.10 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1p0s s LEU 113 Cb 0.13 -0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.20 1p0s s LEU 113 CO 0.44 -0.00 1.01 -2.16 0.23 0.00 0.00 176.35 175.86 1p0s s PRO 114 N -0.19 3.70 -0.26 1.29 0.04 -1.26 -4.71 135.00 133.61 1p0s s PRO 114 Ca -0.01 0.96 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 1p0s s PRO 114 Cb -0.02 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1p0s s PRO 114 CO -0.00 -0.48 0.09 0.42 0.04 0.00 0.00 177.00 177.07 1p0s s ILE 115 N -2.73 4.40 -0.20 0.56 1.01 -0.84 -4.93 121.20 118.46 1p0s s ILE 115 Ca 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.98 1p0s s ILE 115 Cb -0.11 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 1p0s s ILE 115 CO 0.38 0.27 -0.04 -0.69 0.00 0.00 0.00 174.94 174.86 1p0s s VAL 116 N 1.62 3.51 -0.11 2.92 1.01 -1.26 -0.64 120.40 127.44 1p0s s VAL 116 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1p0s s VAL 116 Cb -0.16 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1p0s s VAL 116 CO 0.04 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 1p0s s VAL 117 N 1.18 1.70 -0.27 2.92 1.01 0.18 -0.11 120.40 127.01 1p0s s VAL 117 Ca 0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1p0s s VAL 117 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1p0s s VAL 117 CO -0.01 0.48 0.17 -0.31 0.00 0.00 0.00 175.10 175.44 1p0s s TYR 118 N 0.81 3.24 0.19 5.22 1.51 0.23 -0.54 117.35 128.00 1p0s s TYR 118 Ca -0.09 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1p0s s TYR 118 Cb -0.16 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 1p0s s TYR 118 CO 0.00 -0.10 0.05 0.95 -1.11 0.00 0.00 175.55 175.34 1p0s s THR 119 N 1.53 0.45 0.97 -0.71 -4.23 -0.73 0.08 115.64 113.00 1p0s s THR 119 Ca 0.07 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1p0s s THR 119 Cb -0.15 -2.27 0.18 0.00 1.34 0.00 0.00 72.50 71.59 1p0s s THR 119 CO 0.09 -0.31 1.10 -2.84 -0.54 0.00 0.00 174.62 172.12 1p0s s PRO 120 N -4.00 0.60 0.30 3.99 0.02 -1.26 -0.12 135.00 134.52 1p0s s PRO 120 Ca 0.29 1.26 0.04 0.00 0.02 0.00 0.00 61.00 62.61 1p0s s PRO 120 Cb 0.07 -1.70 0.65 0.00 0.02 0.00 0.00 34.50 33.54 1p0s s PRO 120 CO 0.07 -2.82 1.82 -0.44 -0.33 0.00 0.00 177.00 175.30 1p0s h ASP 121 N -2.00 0.85 -0.34 2.53 3.32 -1.69 -2.30 116.42 116.79 1p0s h ASP 121 Ca -0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1p0s h ASP 121 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1p0s h ASP 121 CO 0.46 0.41 0.00 -0.46 -1.72 0.00 0.00 179.24 177.92 1p0s n ASN 122 N -4.65 1.94 -4.80 6.45 0.23 -1.26 -4.90 115.26 108.27 1p0s n ASN 122 Ca 0.20 -1.96 -0.34 0.00 -0.53 0.00 0.00 54.58 51.96 1p0s n ASN 122 Cb 0.44 -0.23 -0.07 0.00 -2.08 0.00 0.00 39.78 37.84 1p0s n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1p0s s VAL 123 N -1.55 4.85 -0.06 3.53 1.01 -0.86 -4.74 120.40 122.59 1p0s s VAL 123 Ca 0.26 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1p0s s VAL 123 Cb 0.14 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1p0s s VAL 123 CO 0.18 0.40 -0.23 -1.81 0.00 0.00 0.00 175.10 173.65 1p0s s ASP 124 N -1.59 2.80 -0.19 3.32 1.01 -0.27 -4.80 116.67 116.94 1p0s s ASP 124 Ca 0.21 -0.47 -0.06 0.00 0.71 0.00 0.00 52.55 52.94 1p0s s ASP 124 Cb -0.12 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.94 1p0s s ASP 124 CO 0.12 0.21 0.03 -0.69 0.21 0.00 0.00 175.17 175.05 1p0s s VAL 125 N -0.04 4.38 0.32 -1.27 1.01 -1.26 -2.18 120.40 121.35 1p0s s VAL 125 Ca -0.06 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1p0s s VAL 125 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1p0s s VAL 125 CO 0.04 0.45 0.08 -0.54 0.00 0.00 0.00 175.10 175.13 1p0s s LYS 126 N 0.61 1.63 -0.02 2.72 1.02 0.21 -5.01 119.74 120.90 1p0s s LYS 126 Ca 0.01 -1.91 -0.25 0.00 0.02 0.00 0.00 55.97 53.84 1p0s s LYS 126 Cb -0.14 -0.65 0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1p0s s LYS 126 CO 0.02 -0.27 0.54 1.52 -0.92 0.00 0.00 175.35 176.24 1p0s s TYR 127 N -3.42 -0.47 -0.03 3.18 1.13 -1.26 -0.54 117.35 115.93 1p0s s TYR 127 Ca 0.35 0.73 0.03 0.00 -1.41 0.00 0.00 57.07 56.77 1p0s s TYR 127 Cb 0.08 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1p0s s TYR 127 CO 0.15 -0.56 -0.10 0.50 -2.51 0.00 0.00 175.55 173.02 1p0s s ARG 128 N -1.55 1.18 0.18 -3.49 3.52 -0.49 -4.98 118.95 113.31 1p0s s ARG 128 Ca -0.10 -0.36 -0.20 0.00 -0.13 0.00 0.00 55.73 54.94 1p0s s ARG 128 Cb -0.02 -1.07 -0.08 0.00 -1.56 0.00 0.00 34.95 32.23 1p0s s ARG 128 CO 0.05 0.11 0.69 0.08 -0.81 0.00 0.00 175.30 175.43 1p0s s VAL 129 N 0.27 4.59 -0.04 7.11 1.01 -1.26 -0.73 120.40 131.35 1p0s s VAL 129 Ca -0.05 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.29 1p0s s VAL 129 Cb -0.10 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1p0s s VAL 129 CO 0.01 0.32 -0.24 0.26 0.00 0.00 0.00 175.10 175.46 1p0s s TRP 130 N -1.39 2.22 -0.06 5.22 0.52 0.35 -4.94 118.94 120.86 1p0s s TRP 130 Ca 0.39 -0.56 0.05 0.00 0.02 0.00 0.00 56.10 56.00 1p0s s TRP 130 Cb -0.18 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1p0s s TRP 130 CO 0.21 -0.13 -0.23 0.21 0.02 0.00 0.00 176.95 177.03 1p0s s LYS 131 N -0.31 2.44 0.23 4.98 2.20 -1.26 -1.30 119.74 126.72 1p0s s LYS 131 Ca 0.02 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 1p0s s LYS 131 Cb -0.12 -2.04 -0.09 0.00 -1.51 0.00 0.00 37.83 34.08 1p0s s LYS 131 CO 0.02 0.32 1.31 0.00 -0.36 0.00 0.00 175.35 176.64 1p0s s ALA 132 N -0.04 3.53 0.44 3.13 0.00 -0.40 -4.98 121.76 123.43 1p0s s ALA 132 Ca -0.06 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1p0s s ALA 132 Cb -0.14 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1p0s s ALA 132 CO 0.04 -0.55 1.03 -1.21 0.00 0.00 0.00 175.76 175.07 1p0s s GLU 133 N -0.51 4.02 0.05 0.00 2.02 -1.26 -4.98 118.70 118.04 1p0s s GLU 133 Ca 0.55 1.41 -0.19 0.00 0.02 0.00 0.00 54.97 56.76 1p0s s GLU 133 Cb -0.37 -2.32 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 1p0s s GLU 133 CO 0.41 -0.25 1.29 1.05 0.02 0.00 0.00 175.26 177.78 1p0s h GLU 134 N 2.05 -0.45 -6.39 1.61 9.09 -2.01 -3.45 114.58 115.02 1p0s h GLU 134 Ca -0.49 0.03 -0.58 0.00 0.05 0.00 0.00 59.36 58.37 1p0s h GLU 134 Cb 1.21 0.10 0.17 0.00 -1.65 0.00 0.00 28.75 28.59 1p0s h GLU 134 CO 0.61 -0.30 -0.58 1.17 0.05 0.00 0.00 179.01 179.96 1p0s n LYS 135 N -4.02 0.38 -3.63 1.06 4.81 -1.26 -5.01 118.16 110.48 1p0s n LYS 135 Ca -0.05 0.15 -0.26 0.00 -0.87 0.00 0.00 58.31 57.27 1p0s n LYS 135 Cb 0.23 -1.54 -0.17 0.00 0.02 0.00 0.00 35.03 33.58 1p0s n LYS 135 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1p0s s ILE 136 N -1.80 0.03 0.60 3.15 1.01 -1.26 -5.14 121.20 117.79 1p0s s ILE 136 Ca 0.66 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1p0s s ILE 136 Cb -0.45 -0.68 0.07 0.00 0.01 0.00 0.00 42.46 41.41 1p0s s ILE 136 CO 0.57 -0.28 0.83 -1.81 0.00 0.00 0.00 174.94 174.25 1p0s s ASP 137 N 2.08 4.98 0.04 3.58 1.11 -1.26 -5.11 116.67 122.09 1p0s s ASP 137 Ca 0.02 -0.32 0.05 0.00 0.18 0.00 0.00 52.55 52.48 1p0s s ASP 137 Cb -0.16 -0.37 -0.04 0.00 1.07 0.00 0.00 42.92 43.42 1p0s s ASP 137 CO -0.10 -1.37 -0.10 0.20 1.18 0.00 0.00 175.17 174.99 1p0s s ASN 138 N -4.56 4.42 0.22 0.27 -0.87 -1.26 -5.10 114.94 108.06 1p0s s ASN 138 Ca 0.61 -0.26 -0.30 0.00 -1.57 0.00 0.00 52.86 51.34 1p0s s ASN 138 Cb -0.08 -0.93 -0.08 0.00 -0.02 0.00 0.00 41.25 40.14 1p0s s ASN 138 CO 0.40 0.25 1.10 0.00 -2.57 0.00 0.00 177.10 176.28 1p0s s ALA 139 N -1.05 3.39 0.04 0.60 0.00 -1.26 -5.01 121.76 118.47 1p0s s ALA 139 Ca 0.18 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 1p0s s ALA 139 Cb -0.11 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1p0s s ALA 139 CO 0.09 -0.19 0.73 0.08 0.00 0.00 0.00 175.76 176.47 1p0s s VAL 140 N -0.57 4.75 -0.32 0.00 1.01 -1.26 -5.02 120.40 118.99 1p0s s VAL 140 Ca 0.48 1.55 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 1p0s s VAL 140 Cb -0.30 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1p0s s VAL 140 CO 0.37 0.39 0.91 -0.69 0.00 0.00 0.00 175.10 176.07 1p0s s VAL 141 N -0.15 4.67 0.00 2.92 1.01 -1.26 -5.36 120.40 122.23 1p0s s VAL 141 Ca 0.37 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1p0s s VAL 141 Cb -0.20 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1p0s s VAL 141 CO 0.22 -0.37 0.00 -2.11 0.00 0.00 0.00 175.10 172.84