#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s40 s MET 6 N 0.00 1.03 0.30 1.97 -2.45 -1.26 -5.08 119.30 113.82 1s40 s MET 6 Ca 0.00 0.42 -0.19 0.00 -1.25 0.00 0.00 55.69 54.67 1s40 s MET 6 Cb 0.00 -1.82 0.02 0.00 1.25 0.00 0.00 34.83 34.29 1s40 s MET 6 CO 0.00 -2.30 0.70 0.00 1.05 0.00 0.00 175.02 174.47 1s40 s ALA 7 N -3.16 -0.97 0.00 4.11 0.00 -1.26 -5.13 121.76 115.36 1s40 s ALA 7 Ca 0.64 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1s40 s ALA 7 Cb -0.16 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1s40 s ALA 7 CO 0.55 -1.00 0.00 0.54 0.00 0.00 0.00 175.76 175.85 1s40 n ARG 8 N -0.47 0.00 -0.36 0.00 5.12 -1.26 -4.89 116.66 114.80 1s40 n ARG 8 Ca -0.04 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.92 1s40 n ARG 8 Cb 0.60 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.88 1s40 n ARG 8 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1s40 n LYS 9 N 0.00 -0.73 -3.17 5.56 4.76 -1.26 -4.87 118.16 118.45 1s40 n LYS 9 Ca 0.00 0.48 -0.15 0.00 -2.87 0.00 0.00 58.31 55.78 1s40 n LYS 9 Cb 0.00 -0.89 0.06 0.00 -1.84 0.00 0.00 35.03 32.36 1s40 n LYS 9 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1s40 n ASP 10 N -3.91 -3.23 -2.32 4.39 -0.08 -1.26 -5.01 116.55 105.12 1s40 n ASP 10 Ca 0.00 -0.44 -0.00 0.00 -1.51 0.00 0.00 54.79 52.84 1s40 n ASP 10 Cb 0.17 -3.96 0.00 0.00 2.34 0.00 0.00 41.12 39.67 1s40 n ASP 10 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1s40 n PRO 11 N -3.55 -0.64 -4.12 -0.67 -0.04 -1.26 -4.91 135.00 119.82 1s40 n PRO 11 Ca -0.14 -0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 1s40 n PRO 11 Cb 0.60 -0.01 -0.15 0.00 -0.04 0.00 0.00 33.50 33.90 1s40 n PRO 11 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1s40 s THR 12 N -1.02 0.39 0.00 0.52 2.01 -1.26 -3.59 115.64 112.69 1s40 s THR 12 Ca 0.01 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1s40 s THR 12 Cb -0.00 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1s40 s THR 12 CO 0.00 0.14 0.00 2.30 -0.69 0.00 0.00 174.62 176.38 1s40 n ILE 13 N 3.39 0.00 -2.74 1.82 -5.35 -1.24 -4.96 119.36 110.28 1s40 n ILE 13 Ca -0.18 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.31 1s40 n ILE 13 Cb 0.55 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.46 1s40 n ILE 13 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1s40 s GLU 14 N 1.11 0.15 0.70 6.28 1.03 -1.26 -4.63 118.70 122.09 1s40 s GLU 14 Ca 0.00 -0.07 0.00 0.00 0.03 0.00 0.00 54.97 54.93 1s40 s GLU 14 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 34.13 33.34 1s40 s GLU 14 CO 0.00 -0.22 0.00 1.19 -1.33 0.00 0.00 175.26 174.90 1s40 n PHE 15 N 3.48 0.00 0.21 4.83 3.01 -1.26 -2.32 117.46 125.41 1s40 n PHE 15 Ca 0.06 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.70 1s40 n PHE 15 Cb 0.64 0.00 0.84 0.00 -0.01 0.00 0.00 39.48 40.95 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s40 n GLN 17 N -3.74 3.53 0.00 0.00 6.02 -0.98 -4.97 117.38 117.24 1s40 n GLN 17 Ca 0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 1s40 n GLN 17 Cb 0.33 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1s40 n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s40 n LEU 18 N 1.28 0.00 0.00 1.08 7.99 0.56 -4.24 117.00 123.67 1s40 n LEU 18 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 1s40 n LEU 18 Cb 0.84 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 1s40 n LEU 18 CO 0.23 -0.32 0.00 0.61 -1.51 0.00 0.00 177.39 176.39 1s40 n GLY 19 N 0.00 0.03 2.92 -0.72 0.00 -1.26 -4.95 105.19 101.21 1s40 n GLY 19 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1s40 n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s40 n LEU 20 N 0.00 -1.90 0.00 0.99 -0.00 -1.26 -5.01 117.00 109.82 1s40 n LEU 20 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1s40 n LEU 20 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 1s40 n LEU 20 CO 0.00 -2.65 0.00 -0.67 -0.00 0.00 0.00 177.39 174.07 1s40 n ASP 21 N 1.07 1.90 -0.12 1.96 -0.08 -1.26 -4.97 116.55 115.06 1s40 n ASP 21 Ca 0.02 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.05 1s40 n ASP 21 Cb 0.29 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.64 1s40 n ASP 21 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1s40 n THR 22 N 0.00 1.55 1.22 5.18 -1.04 -1.26 -4.27 114.28 115.65 1s40 n THR 22 Ca 0.00 -0.28 0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1s40 n THR 22 Cb 0.00 -1.90 0.47 0.00 -1.82 0.00 0.00 70.33 67.08 1s40 n THR 22 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1s40 n PHE 23 N -4.19 0.00 -0.06 -1.42 7.35 -1.26 -4.71 117.46 113.16 1s40 n PHE 23 Ca -0.44 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.25 1s40 n PHE 23 Cb 0.83 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1s40 n PHE 23 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1s40 n GLU 24 N -1.08 0.92 0.00 -4.13 1.02 -1.26 -5.09 120.64 111.02 1s40 n GLU 24 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1s40 n GLU 24 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1s40 n GLU 24 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1s40 n THR 25 N -0.21 0.00 -2.01 2.62 -1.04 -1.26 -4.63 114.28 107.74 1s40 n THR 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s40 n THR 25 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s40 n THR 25 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1s40 n LYS 26 N 0.00 0.00 -5.11 -2.82 2.85 -0.87 -4.98 118.16 107.23 1s40 n LYS 26 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1s40 n LYS 26 Cb 0.00 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.21 1s40 n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1s40 s TYR 27 N -1.49 2.24 -0.02 5.58 2.02 -1.26 -1.39 117.35 123.03 1s40 s TYR 27 Ca 0.00 -0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 55.89 1s40 s TYR 27 Cb 0.00 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1s40 s TYR 27 CO 0.00 -0.27 0.12 0.96 -1.57 0.00 0.00 175.55 174.79 1s40 s ILE 28 N 0.08 0.05 -0.21 2.71 -4.36 -0.06 -4.38 121.20 115.03 1s40 s ILE 28 Ca -0.09 -0.45 -0.15 0.00 -0.26 0.00 0.00 60.65 59.70 1s40 s ILE 28 Cb -0.15 -0.33 -0.04 0.00 1.25 0.00 0.00 42.46 43.20 1s40 s ILE 28 CO 0.05 -0.25 0.37 -0.89 0.24 0.00 0.00 174.94 174.46 1s40 s THR 29 N -0.84 5.22 -0.04 8.37 2.01 -1.24 0.14 115.64 129.26 1s40 s THR 29 Ca -0.09 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.58 1s40 s THR 29 Cb -0.05 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1s40 s THR 29 CO 0.01 0.25 -0.18 -0.04 -0.69 0.00 0.00 174.62 173.97 1s40 s MET 30 N 1.35 1.84 0.09 4.92 1.00 -0.35 -3.60 119.30 124.55 1s40 s MET 30 Ca 0.17 -0.64 0.02 0.00 0.00 0.00 0.00 55.69 55.24 1s40 s MET 30 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 34.83 33.04 1s40 s MET 30 CO 0.08 0.27 0.16 -0.06 0.00 0.00 0.00 175.02 175.46 1s40 s PHE 31 N -0.01 3.33 0.00 -0.03 0.40 -1.26 -3.24 117.98 117.16 1s40 s PHE 31 Ca -0.03 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1s40 s PHE 31 Cb -0.11 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1s40 s PHE 31 CO 0.02 0.54 0.00 0.41 0.70 0.00 0.00 175.22 176.89 1s40 n GLY 32 N 0.15 0.84 3.86 4.36 0.00 -1.11 -4.34 105.19 108.95 1s40 n GLY 32 Ca -0.07 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1s40 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s40 s MET 33 N -2.00 3.83 -0.01 1.61 1.75 0.01 -2.52 119.30 121.97 1s40 s MET 33 Ca 0.00 0.28 -0.33 0.00 -1.25 0.00 0.00 55.69 54.40 1s40 s MET 33 Cb 0.00 -3.06 -0.11 0.00 2.84 0.00 0.00 34.83 34.50 1s40 s MET 33 CO 0.00 0.59 1.89 -0.11 -0.65 0.00 0.00 175.02 176.74 1s40 n LEU 34 N 1.18 3.71 -0.09 4.11 0.00 -1.16 -1.60 117.00 123.15 1s40 n LEU 34 Ca -0.10 0.96 -0.15 0.00 0.00 0.00 0.00 56.01 56.72 1s40 n LEU 34 Cb 0.52 -1.44 -0.14 0.00 0.00 0.00 0.00 43.42 42.37 1s40 n LEU 34 CO 0.41 0.03 -1.15 0.52 0.00 0.00 0.00 177.39 177.20 1s40 n VAL 35 N 5.12 1.51 0.00 1.96 0.31 0.63 -4.43 118.33 123.44 1s40 n VAL 35 Ca 0.21 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1s40 n VAL 35 Cb 0.34 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1s40 n VAL 35 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1s40 n SER 36 N -3.12 0.00 -4.28 4.52 3.41 -1.16 -4.34 113.62 108.65 1s40 n SER 36 Ca -0.38 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 1s40 n SER 36 Cb 1.05 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.86 1s40 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 s SER 38 N 1.06 6.17 -0.25 0.00 0.15 0.10 -4.84 113.70 116.10 1s40 s SER 38 Ca -0.00 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.10 1s40 s SER 38 Cb -0.15 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.17 1s40 s SER 38 CO -0.02 -1.73 1.54 0.33 1.20 0.00 0.00 173.24 174.56 1s40 n PHE 39 N 8.95 1.90 0.21 3.44 7.35 -1.26 -2.52 117.46 135.53 1s40 n PHE 39 Ca 0.02 -1.04 0.03 0.00 -0.76 0.00 0.00 57.45 55.70 1s40 n PHE 39 Cb 0.48 -0.59 0.03 0.00 0.35 0.00 0.00 39.48 39.75 1s40 n PHE 39 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1s40 n ASP 40 N -0.17 1.65 -4.69 -2.13 5.75 -1.26 -4.98 116.55 110.71 1s40 n ASP 40 Ca 0.33 -1.35 -0.38 0.00 -0.01 0.00 0.00 54.79 53.37 1s40 n ASP 40 Cb 1.16 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 41.17 1s40 n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1s40 s LYS 41 N -0.58 4.25 0.00 0.11 -0.14 -1.26 -4.94 119.74 117.19 1s40 s LYS 41 Ca 0.08 0.36 0.13 0.00 -1.36 0.00 0.00 55.97 55.18 1s40 s LYS 41 Cb 0.05 -3.49 0.62 0.00 -1.68 0.00 0.00 37.83 33.33 1s40 s LYS 41 CO 0.08 0.03 1.34 -0.35 -0.76 0.00 0.00 175.35 175.68 1s40 n PRO 42 N 4.18 0.14 -0.05 -1.68 -0.04 -1.26 -2.72 135.00 133.56 1s40 n PRO 42 Ca -0.07 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1s40 n PRO 42 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 1s40 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s40 n ALA 43 N -1.33 2.14 0.00 0.55 0.00 -1.26 -5.08 120.51 115.53 1s40 n ALA 43 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1s40 n ALA 43 Cb 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1s40 n ALA 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1s40 n PHE 44 N -2.50 0.00 -3.85 0.00 1.16 -1.10 -4.75 117.46 106.43 1s40 n PHE 44 Ca -0.18 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.04 1s40 n PHE 44 Cb 0.86 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.60 1s40 n PHE 44 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1s40 s ILE 45 N -3.00 3.09 0.21 1.97 1.09 -1.26 -4.05 121.20 119.24 1s40 s ILE 45 Ca 0.00 -1.82 -0.32 0.00 -1.10 0.00 0.00 60.65 57.41 1s40 s ILE 45 Cb 0.00 -3.00 -0.12 0.00 -1.06 0.00 0.00 42.46 38.28 1s40 s ILE 45 CO 0.00 -0.46 1.73 -0.24 -0.10 0.00 0.00 174.94 175.88 1s40 n SER 46 N 4.58 4.02 -4.06 3.58 2.88 -1.05 -4.53 113.62 119.05 1s40 n SER 46 Ca -0.06 1.06 -0.33 0.00 -1.33 0.00 0.00 58.87 58.21 1s40 n SER 46 Cb 0.42 -1.58 -0.14 0.00 -0.75 0.00 0.00 64.21 62.17 1s40 n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1s40 s PHE 47 N 1.24 3.69 -0.33 0.66 0.40 -0.94 0.00 117.98 122.70 1s40 s PHE 47 Ca 0.75 -2.79 -0.21 0.00 -0.60 0.00 0.00 56.93 54.09 1s40 s PHE 47 Cb -0.50 -3.04 -0.00 0.00 0.51 0.00 0.00 43.02 39.98 1s40 s PHE 47 CO 0.32 -0.95 0.66 0.08 0.70 0.00 0.00 175.22 176.03 1s40 s VAL 48 N 0.96 4.88 0.63 -0.44 1.01 -0.77 -1.35 120.40 125.32 1s40 s VAL 48 Ca 0.10 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1s40 s VAL 48 Cb -0.21 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.22 1s40 s VAL 48 CO -0.06 -0.26 0.87 -0.36 0.00 0.00 0.00 175.10 175.29 1s40 s PHE 49 N 2.73 1.21 -0.06 5.22 0.08 0.19 -0.27 117.98 127.08 1s40 s PHE 49 Ca 0.26 -0.68 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 1s40 s PHE 49 Cb -0.14 -2.38 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 1s40 s PHE 49 CO 0.14 -1.41 0.14 0.45 -0.10 0.00 0.00 175.22 174.43 1s40 s SER 50 N -4.74 -0.09 0.00 1.36 0.15 -0.63 -1.93 113.70 107.84 1s40 s SER 50 Ca 0.64 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1s40 s SER 50 Cb -0.05 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1s40 s SER 50 CO 0.41 -0.15 0.00 -0.90 1.20 0.00 0.00 173.24 173.80 1s40 n ASP 51 N 4.22 0.37 -3.67 5.45 5.75 -1.26 -0.81 116.55 126.62 1s40 n ASP 51 Ca -0.26 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.22 1s40 n ASP 51 Cb 0.51 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.45 1s40 n ASP 51 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1s40 s PHE 52 N 0.78 1.23 0.00 2.11 5.36 -1.26 -4.79 117.98 121.41 1s40 s PHE 52 Ca 0.00 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.55 1s40 s PHE 52 Cb 0.00 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1s40 s PHE 52 CO 0.00 -0.85 0.00 0.25 -1.46 0.00 0.00 175.22 173.16 1s40 n THR 53 N 4.99 0.00 -3.91 0.12 -2.24 -1.26 -5.00 114.28 106.98 1s40 n THR 53 Ca -0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 1s40 n THR 53 Cb 0.42 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.50 1s40 n THR 53 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s40 s LYS 54 N -1.36 1.38 0.69 -0.78 -0.14 -1.26 -4.65 119.74 113.61 1s40 s LYS 54 Ca 0.00 -1.19 -0.17 0.00 -1.36 0.00 0.00 55.97 53.26 1s40 s LYS 54 Cb 0.00 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 1s40 s LYS 54 CO 0.00 -0.76 1.23 -1.71 -0.76 0.00 0.00 175.35 173.35 1s40 n ASN 55 N 4.63 1.62 0.00 2.83 5.15 -1.12 -2.79 115.26 125.57 1s40 n ASN 55 Ca -0.06 0.76 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1s40 n ASN 55 Cb 0.43 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1s40 n ASP 56 N -2.14 0.12 -4.69 1.20 2.03 -1.26 -4.91 116.55 106.89 1s40 n ASP 56 Ca 0.15 -0.46 -0.29 0.00 0.52 0.00 0.00 54.79 54.71 1s40 n ASP 56 Cb 0.49 0.59 0.12 0.00 -0.72 0.00 0.00 41.12 41.60 1s40 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1s40 s ILE 57 N -0.59 1.99 0.03 5.18 1.01 -1.26 -4.99 121.20 122.57 1s40 s ILE 57 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 1s40 s ILE 57 Cb 0.00 -2.95 -0.23 0.00 0.01 0.00 0.00 42.46 39.29 1s40 s ILE 57 CO 0.00 0.00 0.94 1.62 0.00 0.00 0.00 174.94 177.50 1s40 h VAL 58 N -1.29 1.25 0.00 2.92 3.04 -1.97 -3.49 116.25 116.71 1s40 h VAL 58 Ca -0.46 -3.00 0.00 0.00 -1.01 0.00 0.00 66.70 62.22 1s40 h VAL 58 Cb 1.31 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 33.24 1s40 h VAL 58 CO 0.59 0.75 0.00 1.67 -1.01 0.00 0.00 177.57 179.57 1s40 n GLN 59 N -3.25 0.00 0.00 4.17 0.00 -1.26 -4.91 117.38 112.13 1s40 n GLN 59 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.90 1s40 n GLN 59 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.25 1s40 n GLN 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1s40 n ASN 60 N -2.42 0.00 -4.54 1.69 5.03 -1.26 -4.67 115.26 109.09 1s40 n ASN 60 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1s40 n ASN 60 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1s40 n ASN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s40 n TYR 61 N 0.00 0.96 0.16 3.10 9.36 -1.26 -4.67 117.16 124.80 1s40 n TYR 61 Ca 0.00 -0.06 0.17 0.00 3.32 0.00 0.00 57.90 61.33 1s40 n TYR 61 Cb 0.00 -2.40 0.62 0.00 -0.63 0.00 0.00 39.34 36.93 1s40 n TYR 61 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1s40 h LEU 62 N 21.36 0.00 0.00 2.98 6.46 -1.95 -3.45 115.31 140.70 1s40 h LEU 62 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1s40 h LEU 62 Cb 1.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1s40 h LEU 62 CO 1.04 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 178.86 1s40 n TYR 63 N -3.19 -0.07 -2.16 1.25 4.19 -1.26 -4.60 117.16 111.32 1s40 n TYR 63 Ca 0.06 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.26 1s40 n TYR 63 Cb 0.73 0.02 -0.00 0.00 0.49 0.00 0.00 39.34 40.58 1s40 n TYR 63 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1s40 n ASP 64 N -3.89 -0.87 -0.04 2.98 9.92 -1.26 -4.67 116.55 118.73 1s40 n ASP 64 Ca 0.00 0.38 0.02 0.00 -0.53 0.00 0.00 54.79 54.67 1s40 n ASP 64 Cb 0.00 -0.96 -0.16 0.00 -0.64 0.00 0.00 41.12 39.36 1s40 n ASP 64 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1s40 n ARG 65 N -2.17 0.67 -0.95 -1.24 1.85 -1.26 -4.37 116.66 109.18 1s40 n ARG 65 Ca -0.00 -0.11 -0.41 0.00 -1.00 0.00 0.00 57.85 56.33 1s40 n ARG 65 Cb 0.39 -1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 30.18 1s40 n ARG 65 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1s40 n TYR 66 N -2.47 0.98 -0.00 2.89 0.18 -1.26 -3.37 117.16 114.10 1s40 n TYR 66 Ca -0.16 -1.03 0.00 0.00 1.88 0.00 0.00 57.90 58.59 1s40 n TYR 66 Cb 0.81 -1.41 0.00 0.00 -0.38 0.00 0.00 39.34 38.36 1s40 n TYR 66 CO 0.00 0.00 0.00 1.47 -2.08 0.00 0.00 176.86 176.25 1s40 n LEU 67 N 9.78 0.00 0.00 -3.48 -0.00 -1.26 -4.96 117.00 117.09 1s40 n LEU 67 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1s40 n LEU 67 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1s40 n LEU 67 CO 1.05 0.00 0.00 -0.38 -0.00 0.00 0.00 177.39 178.06 1s40 n ILE 68 N 0.00 0.00 -1.64 1.47 5.41 -1.26 -4.60 119.36 118.74 1s40 n ILE 68 Ca 0.00 0.34 -0.45 0.00 1.00 0.00 0.00 62.75 63.64 1s40 n ILE 68 Cb 0.00 -1.13 -0.02 0.00 -0.71 0.00 0.00 39.64 37.78 1s40 n ILE 68 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s40 n ASP 69 N 0.00 2.19 -0.85 4.38 9.92 -1.26 -4.85 116.55 126.08 1s40 n ASP 69 Ca 0.00 1.16 0.09 0.00 -0.53 0.00 0.00 54.79 55.51 1s40 n ASP 69 Cb 0.00 -1.37 0.26 0.00 -0.64 0.00 0.00 41.12 39.37 1s40 n ASP 69 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1s40 n TYR 70 N 1.20 0.51 -0.08 1.24 4.02 -1.26 -4.04 117.16 118.75 1s40 n TYR 70 Ca 0.11 -0.26 -0.08 0.00 -0.01 0.00 0.00 57.90 57.66 1s40 n TYR 70 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 1s40 n TYR 70 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1s40 n GLU 71 N 0.86 0.48 0.22 -0.72 2.13 -1.26 -4.38 120.64 117.96 1s40 n GLU 71 Ca 0.17 0.19 0.18 0.00 0.66 0.00 0.00 57.16 58.36 1s40 n GLU 71 Cb 0.42 -1.33 0.82 0.00 0.27 0.00 0.00 31.44 31.62 1s40 n GLU 71 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1s40 h ASN 72 N -0.90 0.00 -2.11 4.31 -0.73 -1.92 -3.46 115.58 110.77 1s40 h ASN 72 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s40 h ASN 72 Cb 0.90 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1s40 h ASN 72 CO 0.00 0.00 -0.08 0.29 -0.37 0.00 0.00 177.43 177.27 1s40 n LYS 73 N -3.41 -0.32 -1.61 6.67 5.02 -1.26 -4.50 118.16 118.75 1s40 n LYS 73 Ca 0.02 0.35 -0.58 0.00 -2.02 0.00 0.00 58.31 56.08 1s40 n LYS 73 Cb 0.43 -0.27 -0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1s40 n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s40 n LEU 74 N 1.30 1.09 -4.86 -0.35 4.77 -1.22 -4.90 117.00 112.83 1s40 n LEU 74 Ca 0.00 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.83 1s40 n LEU 74 Cb 0.04 -1.03 0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1s40 n LEU 74 CO 0.00 -1.21 0.76 -1.83 -1.33 0.00 0.00 177.39 173.78 1s40 s GLU 75 N 1.29 1.97 -0.01 3.23 -1.05 -1.26 -4.77 118.70 118.10 1s40 s GLU 75 Ca 0.93 0.26 0.10 0.00 -0.15 0.00 0.00 54.97 56.11 1s40 s GLU 75 Cb -1.19 -1.94 0.30 0.00 -0.44 0.00 0.00 34.13 30.86 1s40 s GLU 75 CO 0.60 -1.62 1.23 1.28 0.95 0.00 0.00 175.26 177.70 1s40 n LEU 76 N -3.36 1.87 -1.18 1.83 4.77 -1.26 -3.79 117.00 115.88 1s40 n LEU 76 Ca 0.07 -0.94 -0.02 0.00 -0.03 0.00 0.00 56.01 55.10 1s40 n LEU 76 Cb 0.59 -0.25 0.22 0.00 -2.33 0.00 0.00 43.42 41.65 1s40 n LEU 76 CO 0.57 0.44 0.75 -3.20 -1.33 0.00 0.00 177.39 174.62 1s40 n ASN 77 N 0.45 3.06 0.16 -1.43 5.15 -1.26 -4.76 115.26 116.63 1s40 n ASN 77 Ca 0.11 -3.51 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 1s40 n ASN 77 Cb 0.31 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1s40 n ASN 77 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1s40 n GLU 78 N -0.92 0.00 -0.84 1.20 2.13 -1.25 -2.80 120.64 118.17 1s40 n GLU 78 Ca 0.32 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.99 1s40 n GLU 78 Cb 1.05 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.87 1s40 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s40 n GLY 79 N 0.77 -1.64 3.42 8.31 0.00 -1.26 -4.00 105.19 110.79 1s40 n GLY 79 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 1s40 n GLY 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s40 s PHE 80 N -2.33 -0.52 0.20 1.61 -0.71 -0.81 -4.92 117.98 110.50 1s40 s PHE 80 Ca 0.37 0.36 0.04 0.00 -1.04 0.00 0.00 56.93 56.66 1s40 s PHE 80 Cb -0.02 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1s40 s PHE 80 CO 0.26 -0.81 0.27 0.21 -1.34 0.00 0.00 175.22 173.81 1s40 s LYS 81 N -3.52 3.27 -0.26 1.99 2.20 -1.26 0.57 119.74 122.74 1s40 s LYS 81 Ca 0.00 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 1s40 s LYS 81 Cb -0.01 -2.83 0.10 0.00 -1.51 0.00 0.00 37.83 33.59 1s40 s LYS 81 CO -0.11 0.47 0.58 0.00 -0.36 0.00 0.00 175.35 175.92 1s40 s ALA 82 N -1.88 -1.69 0.14 3.13 0.00 -0.46 -4.61 121.76 116.39 1s40 s ALA 82 Ca 0.33 2.07 0.04 0.00 0.00 0.00 0.00 51.96 54.41 1s40 s ALA 82 Cb -0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1s40 s ALA 82 CO 0.27 -0.71 0.14 0.96 0.00 0.00 0.00 175.76 176.42 1s40 s ILE 83 N 2.42 4.57 -0.10 0.00 -5.25 -1.24 -2.22 121.20 119.38 1s40 s ILE 83 Ca -0.06 -0.98 -0.05 0.00 -0.99 0.00 0.00 60.65 58.57 1s40 s ILE 83 Cb -0.10 -3.31 0.04 0.00 2.95 0.00 0.00 42.46 42.05 1s40 s ILE 83 CO -0.17 -0.06 0.24 0.00 -1.79 0.00 0.00 174.94 173.16 1s40 s MET 84 N -2.96 0.20 0.09 0.37 0.23 -1.26 -0.73 119.30 115.26 1s40 s MET 84 Ca 0.31 0.49 -0.29 0.00 -1.03 0.00 0.00 55.69 55.17 1s40 s MET 84 Cb -0.11 -0.10 -0.16 0.00 -1.53 0.00 0.00 34.83 32.94 1s40 s MET 84 CO 0.24 -0.15 0.67 0.98 -2.03 0.00 0.00 175.02 174.73 1s40 n TYR 85 N 4.08 0.03 -0.29 3.16 4.19 -1.26 -4.28 117.16 122.79 1s40 n TYR 85 Ca -0.24 0.88 0.12 0.00 3.31 0.00 0.00 57.90 61.97 1s40 n TYR 85 Cb 0.54 -1.76 0.27 0.00 0.49 0.00 0.00 39.34 38.88 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1s40 h LYS 86 N 1.68 0.24 -0.70 2.98 1.57 -1.97 1.37 116.57 121.74 1s40 h LYS 86 Ca -0.34 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1s40 h LYS 86 Cb 1.25 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1s40 h LYS 86 CO 0.53 0.16 0.46 -2.95 -0.57 0.00 0.00 179.45 177.08 1s40 h ASN 87 N 0.25 0.53 1.21 0.86 7.08 -2.00 0.66 115.58 124.18 1s40 h ASN 87 Ca 0.53 0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 53.69 1s40 h ASN 87 Cb 1.04 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 37.16 1s40 h ASN 87 CO -0.61 0.33 -0.36 1.56 -2.08 0.00 0.00 177.43 176.26 1s40 h GLN 88 N 0.60 0.00 0.06 4.14 7.50 0.14 -2.83 115.11 124.71 1s40 h GLN 88 Ca 0.32 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.19 1s40 h GLN 88 Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.00 1s40 h GLN 88 CO -0.11 0.36 -1.14 0.35 -1.50 0.00 0.00 178.83 176.80 1s40 h PHE 89 N 0.00 0.99 -0.85 2.96 3.57 0.29 -2.00 116.94 121.90 1s40 h PHE 89 Ca -0.00 -0.58 0.05 0.00 3.53 0.00 0.00 57.97 60.96 1s40 h PHE 89 Cb 1.07 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 1s40 h PHE 89 CO 0.00 1.42 0.53 0.93 -2.23 0.00 0.00 178.31 178.96 1s40 h GLU 90 N 0.32 0.96 -0.12 1.11 5.08 -0.09 0.74 114.58 122.58 1s40 h GLU 90 Ca -0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1s40 h GLU 90 Cb 1.80 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1s40 h GLU 90 CO 0.22 0.64 0.07 1.15 -1.00 0.00 0.00 179.01 180.08 1s40 h THR 91 N 0.99 1.08 -0.18 1.13 2.02 -1.44 0.87 112.91 117.39 1s40 h THR 91 Ca 0.36 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 1s40 h THR 91 Cb 0.11 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1s40 h THR 91 CO -0.15 0.08 -0.16 0.15 0.37 0.00 0.00 175.52 175.81 1s40 h PHE 92 N 0.11 0.32 0.01 3.16 3.04 -0.50 -2.69 116.94 120.39 1s40 h PHE 92 Ca 0.04 -0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1s40 h PHE 92 Cb 0.06 -0.09 0.01 0.00 2.56 0.00 0.00 35.95 38.50 1s40 h PHE 92 CO -0.05 0.45 -1.01 0.22 -2.02 0.00 0.00 178.31 175.90 1s40 h ASP 93 N 0.28 0.73 -0.10 0.41 3.58 0.11 -2.91 116.42 118.52 1s40 h ASP 93 Ca 0.05 -0.59 0.04 0.00 0.42 0.00 0.00 57.03 56.96 1s40 h ASP 93 Cb 0.45 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 1s40 h ASP 93 CO 0.03 1.39 -0.30 0.77 -2.88 0.00 0.00 179.24 178.25 1s40 h SER 94 N 0.31 -0.93 -0.32 2.28 4.64 0.11 1.24 113.55 120.89 1s40 h SER 94 Ca -0.11 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1s40 h SER 94 Cb 1.66 0.39 -0.02 0.00 -0.31 0.00 0.00 62.40 64.12 1s40 h SER 94 CO 0.19 -0.35 0.17 0.11 -0.87 0.00 0.00 176.83 176.08 1s40 h LYS 95 N -0.39 0.48 -0.27 4.77 1.57 -1.63 -2.07 116.57 119.03 1s40 h LYS 95 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1s40 h LYS 95 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1s40 h LYS 95 CO -0.32 0.37 0.07 -0.07 -0.57 0.00 0.00 179.45 178.93 1s40 h LEU 96 N 0.48 0.41 -1.98 2.94 3.38 -0.29 -2.27 115.31 117.98 1s40 h LEU 96 Ca 0.12 -0.22 0.21 0.00 0.09 0.00 0.00 57.88 58.09 1s40 h LEU 96 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1s40 h LEU 96 CO -0.02 0.52 0.57 0.03 0.09 0.00 0.00 178.44 179.63 1s40 h ARG 97 N 0.27 0.00 0.00 1.13 3.08 0.21 1.03 114.38 120.10 1s40 h ARG 97 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1s40 h ARG 97 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1s40 h ARG 97 CO -0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 1s40 n LYS 98 N -4.16 0.14 0.06 0.04 4.76 -0.86 -2.14 118.16 115.99 1s40 n LYS 98 Ca 0.15 0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.83 1s40 n LYS 98 Cb 0.84 -1.67 0.02 0.00 -1.84 0.00 0.00 35.03 32.38 1s40 n LYS 98 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1s40 n ILE 99 N -1.91 0.37 0.00 -0.18 5.41 0.35 -4.86 119.36 118.54 1s40 n ILE 99 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1s40 n ILE 99 Cb 0.38 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 1s40 n ILE 99 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s40 n PHE 100 N -2.32 0.00 -0.06 1.39 3.72 -0.91 -5.08 117.46 114.19 1s40 n PHE 100 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1s40 n PHE 100 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1s40 n PHE 100 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1s40 n ASN 101 N -0.26 0.00 0.00 4.37 4.05 -0.91 -5.04 115.26 117.46 1s40 n ASN 101 Ca 0.00 -0.03 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1s40 n ASN 101 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1s40 n ASN 101 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1s40 n ASN 102 N 0.00 0.00 -4.90 1.20 0.23 -1.25 -5.02 115.26 105.52 1s40 n ASN 102 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.84 1s40 n ASN 102 Cb 0.01 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 1s40 n ASN 102 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1s40 s GLY 103 N -0.07 1.45 0.41 4.83 0.00 -1.26 -3.47 107.32 109.20 1s40 s GLY 103 Ca 0.00 -1.41 0.25 0.00 0.00 0.00 0.00 44.72 43.55 1s40 s GLY 103 CO 0.00 -1.40 1.66 -2.00 0.00 0.00 0.00 173.10 171.36 1s40 h LEU 104 N 1.25 0.33 -0.91 0.66 5.85 -1.98 0.86 115.31 121.37 1s40 h LEU 104 Ca -0.48 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1s40 h LEU 104 Cb 1.24 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 1s40 h LEU 104 CO 0.59 -0.12 0.56 0.08 -0.34 0.00 0.00 178.44 179.21 1s40 h ARG 105 N 0.19 0.93 0.00 1.25 0.11 -1.98 0.22 114.38 115.09 1s40 h ARG 105 Ca 0.76 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.78 1s40 h ARG 105 Cb 2.17 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 33.04 1s40 h ARG 105 CO -0.43 0.61 0.00 -0.44 0.10 0.00 0.00 179.97 179.81 1s40 h ASP 106 N 0.96 0.00 0.14 0.08 5.19 0.38 -3.19 116.42 119.98 1s40 h ASP 106 Ca 0.43 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.48 1s40 h ASP 106 Cb 0.32 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1s40 h ASP 106 CO -0.22 0.00 -1.89 -0.07 -3.12 0.00 0.00 179.24 173.94 1s40 h LEU 107 N 0.00 0.47 0.00 1.55 3.38 -0.34 -3.27 115.31 117.11 1s40 h LEU 107 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1s40 h LEU 107 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s40 h LEU 107 CO 0.00 1.83 0.00 0.00 0.09 0.00 0.00 178.44 180.36 1s40 n GLN 108 N -3.55 0.00 0.15 1.13 10.64 -0.12 -3.73 117.38 121.89 1s40 n GLN 108 Ca -0.30 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 54.94 1s40 n GLN 108 Cb 1.04 0.00 0.33 0.00 -0.86 0.00 0.00 30.24 30.76 1s40 n GLN 108 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1s40 n ASN 109 N 0.00 0.32 -0.04 2.61 6.94 -1.26 -2.26 115.26 121.57 1s40 n ASN 109 Ca 0.00 0.54 -0.15 0.00 -0.02 0.00 0.00 54.58 54.95 1s40 n ASN 109 Cb 0.00 -0.50 -0.10 0.00 -2.36 0.00 0.00 39.78 36.82 1s40 n ASN 109 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1s40 h GLY 110 N 0.00 -1.07 0.00 4.83 0.00 -1.65 -3.45 103.07 101.73 1s40 h GLY 110 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1s40 h GLY 110 CO 0.00 -0.18 0.00 0.54 0.00 0.00 0.00 176.54 176.90 1s40 n ARG 111 N -5.42 0.00 -2.78 4.80 1.74 -0.96 -4.99 116.66 109.07 1s40 n ARG 111 Ca -0.05 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 1s40 n ARG 111 Cb 0.37 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.78 1s40 n ARG 111 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1s40 s ASP 112 N 1.00 6.67 0.77 0.55 -1.08 -1.26 -5.02 116.67 118.31 1s40 s ASP 112 Ca 0.00 0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1s40 s ASP 112 Cb 0.00 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1s40 s ASP 112 CO 0.00 -0.92 0.00 1.21 0.52 0.00 0.00 175.17 175.98 1s40 n GLU 113 N 6.94 -1.17 -3.11 4.34 4.07 -1.26 -4.56 120.64 125.89 1s40 n GLU 113 Ca 0.08 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1s40 n GLU 113 Cb 0.48 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1s40 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1s40 n ASN 114 N -2.32 -6.93 -4.31 4.31 3.02 -1.26 -4.75 115.26 103.01 1s40 n ASN 114 Ca 0.00 0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 54.83 1s40 n ASN 114 Cb 0.00 -1.78 0.00 0.00 -0.61 0.00 0.00 39.78 37.39 1s40 n ASN 114 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s40 n LEU 115 N 1.85 5.58 -0.01 3.41 4.77 -1.26 -4.43 117.00 126.91 1s40 n LEU 115 Ca -0.01 -4.42 0.00 0.00 -0.03 0.00 0.00 56.01 51.54 1s40 n LEU 115 Cb 0.26 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1s40 n LEU 115 CO 0.03 0.82 0.28 -1.54 -1.33 0.00 0.00 177.39 175.64 1s40 n SER 116 N 5.59 0.22 -0.01 -1.43 3.41 -1.26 -4.24 113.62 115.90 1s40 n SER 116 Ca 0.40 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1s40 n SER 116 Cb 0.41 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 n GLN 117 N -0.06 -0.57 -0.03 4.33 0.00 -1.26 -4.58 117.38 115.22 1s40 n GLN 117 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 57.00 56.50 1s40 n GLN 117 Cb 0.48 -1.00 0.54 0.00 0.00 0.00 0.00 30.24 30.25 1s40 n GLN 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1s40 n TYR 118 N -0.04 0.08 -2.97 2.61 4.02 -1.26 -4.12 117.16 115.48 1s40 n TYR 118 Ca 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 57.90 57.82 1s40 n TYR 118 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1s40 n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s40 n GLY 119 N 1.02 -2.12 2.37 2.72 0.00 -1.26 -4.83 105.19 103.09 1s40 n GLY 119 Ca 0.17 0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 1s40 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s40 n ILE 120 N 0.82 1.28 -1.84 -0.61 5.41 -1.26 -5.00 119.36 118.15 1s40 n ILE 120 Ca 0.00 -4.81 -0.39 0.00 1.00 0.00 0.00 62.75 58.55 1s40 n ILE 120 Cb 0.27 -1.93 0.02 0.00 -0.71 0.00 0.00 39.64 37.30 1s40 n ILE 120 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1s40 s VAL 121 N -2.18 2.18 -0.10 1.39 1.01 -1.24 -2.97 120.40 118.48 1s40 s VAL 121 Ca 0.39 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1s40 s VAL 121 Cb 0.17 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.53 1s40 s VAL 121 CO -0.06 0.01 0.59 0.00 0.00 0.00 0.00 175.10 175.65 1s40 s LYS 123 N -0.73 1.85 -0.17 0.00 -2.85 -0.67 -2.74 119.74 114.43 1s40 s LYS 123 Ca -0.08 -1.56 -0.31 0.00 -1.00 0.00 0.00 55.97 53.02 1s40 s LYS 123 Cb -0.02 -1.94 0.14 0.00 -2.06 0.00 0.00 37.83 33.95 1s40 s LYS 123 CO 0.06 0.37 1.11 0.00 0.10 0.00 0.00 175.35 176.99 1s40 s MET 124 N -3.27 0.44 -0.33 1.78 0.23 -1.20 -1.66 119.30 115.29 1s40 s MET 124 Ca 0.28 -0.01 -0.16 0.00 -1.03 0.00 0.00 55.69 54.77 1s40 s MET 124 Cb -0.07 0.20 -0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1s40 s MET 124 CO 0.15 -0.16 0.40 1.21 -2.03 0.00 0.00 175.02 174.59 1s40 s ASN 125 N -1.55 6.23 0.01 -1.18 3.84 -1.26 -1.21 114.94 119.82 1s40 s ASN 125 Ca 0.04 -0.08 -0.01 0.00 0.21 0.00 0.00 52.86 53.03 1s40 s ASN 125 Cb -0.01 -2.22 -0.04 0.00 -0.55 0.00 0.00 41.25 38.44 1s40 s ASN 125 CO -0.03 -0.34 0.13 -0.63 -2.79 0.00 0.00 177.10 173.43 1s40 s ILE 126 N 2.12 4.99 -0.54 -5.21 1.09 0.38 -1.41 121.20 122.61 1s40 s ILE 126 Ca 0.14 -0.37 -0.18 0.00 -1.10 0.00 0.00 60.65 59.14 1s40 s ILE 126 Cb -0.16 -3.33 0.10 0.00 -1.06 0.00 0.00 42.46 38.01 1s40 s ILE 126 CO 0.12 0.29 0.58 -0.75 -0.10 0.00 0.00 174.94 175.08 1s40 s LYS 127 N -1.95 3.03 0.15 2.79 2.20 -0.15 -0.88 119.74 124.92 1s40 s LYS 127 Ca 0.26 -1.34 -0.16 0.00 -0.36 0.00 0.00 55.97 54.37 1s40 s LYS 127 Cb -0.12 -4.22 -0.07 0.00 -1.51 0.00 0.00 37.83 31.91 1s40 s LYS 127 CO 0.18 -1.33 0.59 0.14 -0.36 0.00 0.00 175.35 174.57 1s40 s VAL 128 N 2.21 4.77 0.27 4.02 -7.23 -0.49 -2.56 120.40 121.40 1s40 s VAL 128 Ca 0.09 1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 61.05 1s40 s VAL 128 Cb -0.25 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 32.92 1s40 s VAL 128 CO 0.07 0.29 0.70 -0.75 -0.31 0.00 0.00 175.10 175.09 1s40 s LYS 129 N -1.81 1.76 -0.61 4.82 2.20 -0.80 -2.05 119.74 123.25 1s40 s LYS 129 Ca 0.37 -1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 1s40 s LYS 129 Cb -0.16 0.60 0.16 0.00 -1.51 0.00 0.00 37.83 36.91 1s40 s LYS 129 CO 0.20 -0.80 0.47 -1.64 -0.36 0.00 0.00 175.35 173.22 1s40 s MET 130 N -3.92 2.74 0.09 4.03 -1.94 -1.25 0.17 119.30 119.21 1s40 s MET 130 Ca 0.12 -2.22 -0.25 0.00 -1.71 0.00 0.00 55.69 51.62 1s40 s MET 130 Cb -0.05 -3.95 -0.10 0.00 2.01 0.00 0.00 34.83 32.74 1s40 s MET 130 CO 0.07 -1.20 1.41 -0.92 -0.01 0.00 0.00 175.02 174.37 1s40 h TYR 131 N 7.73 -1.23 0.00 -0.03 5.03 -1.81 -3.36 116.97 123.30 1s40 h TYR 131 Ca -0.06 0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.17 1s40 h TYR 131 Cb 1.02 0.55 -0.25 0.00 1.55 0.00 0.00 36.73 39.60 1s40 h TYR 131 CO 0.75 -0.40 -0.72 -1.71 -1.32 0.00 0.00 178.16 174.75 1s40 n ASN 132 N -4.71 0.33 0.00 -2.11 2.85 -1.26 -4.92 115.26 105.44 1s40 n ASN 132 Ca -0.04 -1.94 0.00 0.00 -0.11 0.00 0.00 54.58 52.49 1s40 n ASN 132 Cb 0.28 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.17 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s40 n GLY 133 N 0.28 1.40 3.93 8.20 0.00 -1.26 -5.12 105.19 112.62 1s40 n GLY 133 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1s40 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s40 s LYS 134 N 0.00 3.46 -0.45 1.61 3.01 -1.26 -4.79 119.74 121.32 1s40 s LYS 134 Ca 0.00 -0.49 -0.28 0.00 -1.01 0.00 0.00 55.97 54.19 1s40 s LYS 134 Cb 0.00 -2.97 0.03 0.00 -1.01 0.00 0.00 37.83 33.88 1s40 s LYS 134 CO 0.00 0.53 1.08 -1.17 0.51 0.00 0.00 175.35 176.31 1s40 s LEU 135 N -2.97 3.75 -0.50 3.17 1.98 -1.25 -2.17 118.68 120.69 1s40 s LEU 135 Ca 0.35 0.48 -0.21 0.00 -2.89 0.00 0.00 54.13 51.87 1s40 s LEU 135 Cb -0.12 -3.47 0.05 0.00 0.66 0.00 0.00 46.19 43.31 1s40 s LEU 135 CO 0.28 -1.15 0.71 0.21 -1.89 0.00 0.00 176.35 174.51 1s40 s ASN 136 N 2.29 6.28 -0.15 3.68 2.47 0.46 -4.81 114.94 125.16 1s40 s ASN 136 Ca 0.45 -0.64 -0.06 0.00 0.42 0.00 0.00 52.86 53.03 1s40 s ASN 136 Cb -0.08 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.34 1s40 s ASN 136 CO 0.28 -0.95 0.07 0.00 -3.72 0.00 0.00 177.10 172.79 1s40 s ALA 137 N 3.00 3.53 0.31 1.71 0.00 -1.26 -1.91 121.76 127.14 1s40 s ALA 137 Ca 0.21 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1s40 s ALA 137 Cb -0.16 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.03 1s40 s ALA 137 CO 0.15 0.37 0.02 0.96 0.00 0.00 0.00 175.76 177.27 1s40 s ILE 138 N -0.24 1.34 0.06 0.00 -4.36 -1.06 -3.61 121.20 113.33 1s40 s ILE 138 Ca 0.09 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1s40 s ILE 138 Cb -0.12 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 1s40 s ILE 138 CO 0.01 -0.10 -0.10 0.68 0.24 0.00 0.00 174.94 175.67 1s40 s VAL 139 N -3.20 3.39 0.00 8.37 -7.23 0.10 -0.98 120.40 120.84 1s40 s VAL 139 Ca 0.34 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1s40 s VAL 139 Cb 0.07 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1s40 s VAL 139 CO 0.14 0.26 0.00 -1.14 -0.31 0.00 0.00 175.10 174.05 1s40 n ARG 140 N 1.16 1.80 -0.93 4.82 0.63 -0.50 -4.66 116.66 118.98 1s40 n ARG 140 Ca -0.15 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.80 1s40 n ARG 140 Cb 0.52 -0.83 0.01 0.00 0.45 0.00 0.00 32.46 32.61 1s40 n ARG 140 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1s40 n GLU 141 N -1.16 0.00 -0.96 -0.14 -0.00 -1.26 -4.95 120.64 112.17 1s40 n GLU 141 Ca 0.00 -1.40 -0.45 0.00 -0.00 0.00 0.00 57.16 55.31 1s40 n GLU 141 Cb 0.00 -0.26 -0.09 0.00 -0.00 0.00 0.00 31.44 31.10 1s40 n GLU 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s40 s GLU 143 N 4.31 1.44 0.45 0.00 2.12 -0.66 -4.87 118.70 121.49 1s40 s GLU 143 Ca 0.89 -0.42 -0.22 0.00 0.36 0.00 0.00 54.97 55.58 1s40 s GLU 143 Cb -1.12 -1.25 -0.08 0.00 0.26 0.00 0.00 34.13 31.94 1s40 s GLU 143 CO 0.50 0.11 1.08 -1.25 -0.54 0.00 0.00 175.26 175.16 1s40 s PRO 144 N 0.34 3.91 -0.24 4.30 0.04 -1.26 -1.66 135.00 140.43 1s40 s PRO 144 Ca -0.08 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1s40 s PRO 144 Cb -0.12 -2.34 0.10 0.00 0.04 0.00 0.00 34.50 32.18 1s40 s PRO 144 CO 0.02 -0.37 0.21 0.08 0.04 0.00 0.00 177.00 176.98 1s40 s VAL 145 N -1.73 -0.28 0.00 -0.36 1.01 0.44 -4.85 120.40 114.62 1s40 s VAL 145 Ca 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1s40 s VAL 145 Cb -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1s40 s VAL 145 CO 0.27 -0.37 0.00 -0.81 0.00 0.00 0.00 175.10 174.19 1s40 n PRO 146 N 5.30 1.22 -0.10 2.72 -0.04 -1.26 -3.70 135.00 139.15 1s40 n PRO 146 Ca -0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 1s40 n PRO 146 Cb 0.47 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 1s40 n PRO 146 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s40 n HIS 147 N -0.35 0.15 0.33 0.54 -0.00 -1.26 -4.19 115.22 110.44 1s40 n HIS 147 Ca 0.00 0.04 0.22 0.00 0.46 0.00 0.00 57.72 58.44 1s40 n HIS 147 Cb 0.00 -1.02 1.15 0.00 -0.12 0.00 0.00 29.99 30.00 1s40 n HIS 147 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1s40 h SER 148 N 0.01 0.00 -2.64 0.26 0.02 -2.01 -3.26 113.55 105.93 1s40 h SER 148 Ca -0.54 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.81 1s40 h SER 148 Cb 2.05 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.19 1s40 h SER 148 CO -0.02 0.00 -0.80 0.00 -1.14 0.00 0.00 176.83 174.87 1s40 n GLN 149 N -3.18 0.97 0.00 3.45 6.02 -1.26 -4.88 117.38 118.50 1s40 n GLN 149 Ca -0.03 -3.77 0.00 0.00 -0.01 0.00 0.00 57.00 53.19 1s40 n GLN 149 Cb 0.09 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1s40 n GLN 149 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1s40 n ILE 150 N 2.34 0.00 1.69 5.09 3.06 -1.23 -4.38 119.36 125.92 1s40 n ILE 150 Ca 0.26 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.63 1s40 n ILE 150 Cb 0.43 -0.64 0.72 0.00 0.54 0.00 0.00 39.64 40.69 1s40 n ILE 150 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1s40 n SER 151 N -2.39 0.00 -0.07 9.51 2.88 -1.26 -0.97 113.62 121.33 1s40 n SER 151 Ca 0.00 -0.93 -0.10 0.00 -1.33 0.00 0.00 58.87 56.51 1s40 n SER 151 Cb 0.26 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 1s40 n SER 151 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s40 n SER 152 N -0.95 2.79 0.08 -3.46 3.41 -1.26 -4.59 113.62 109.64 1s40 n SER 152 Ca 0.18 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 1s40 n SER 152 Cb 0.08 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1s40 n SER 152 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1s40 h ILE 153 N -0.04 1.41 -3.45 -1.33 2.04 -1.77 -3.43 117.51 110.93 1s40 h ILE 153 Ca -0.31 -2.58 -0.60 0.00 1.00 0.00 0.00 64.86 62.38 1s40 h ILE 153 Cb 1.46 2.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.99 1s40 h ILE 153 CO -0.06 0.77 -0.00 0.00 0.00 0.00 0.00 178.15 178.85 1s40 s ALA 154 N -3.11 3.54 0.92 1.87 0.00 -0.14 -5.06 121.76 119.78 1s40 s ALA 154 Ca -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1s40 s ALA 154 Cb 0.08 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.43 1s40 s ALA 154 CO 0.88 -0.47 0.19 0.43 0.00 0.00 0.00 175.76 176.79 1s40 n SER 155 N 4.84 -2.18 -4.76 0.00 7.64 -1.26 -4.60 113.62 113.31 1s40 n SER 155 Ca -0.04 -0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.36 1s40 n SER 155 Cb 0.50 -0.25 0.14 0.00 -1.01 0.00 0.00 64.21 63.59 1s40 n SER 155 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1s40 s PRO 156 N -2.92 1.07 0.00 1.43 0.04 -1.26 -2.97 135.00 130.38 1s40 s PRO 156 Ca 0.15 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1s40 s PRO 156 Cb -0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1s40 s PRO 156 CO 0.12 -2.27 0.00 -1.13 0.04 0.00 0.00 177.00 173.76 1s40 n SER 157 N -3.84 0.00 0.14 6.66 3.41 -1.26 -4.18 113.62 114.55 1s40 n SER 157 Ca 0.06 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1s40 n SER 157 Cb 0.58 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.08 1s40 n SER 157 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1s40 h GLN 158 N 0.00 0.23 -0.73 4.33 7.50 -1.92 -0.81 115.11 123.71 1s40 h GLN 158 Ca 0.00 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.18 1s40 h GLN 158 Cb 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 1s40 h GLN 158 CO 0.00 0.15 0.48 0.00 -1.50 0.00 0.00 178.83 177.96 1s40 h GLU 160 N 0.86 0.63 -0.97 0.00 4.11 -1.49 -1.48 114.58 116.24 1s40 h GLU 160 Ca 0.30 -0.41 0.02 0.00 0.07 0.00 0.00 59.36 59.34 1s40 h GLU 160 Cb 0.10 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1s40 h GLU 160 CO -0.09 1.03 0.64 1.25 0.07 0.00 0.00 179.01 181.91 1s40 h HIS 161 N 0.31 1.21 -0.54 2.06 2.76 -0.98 0.67 115.15 120.65 1s40 h HIS 161 Ca 0.00 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 1s40 h HIS 161 Cb 1.02 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1s40 h HIS 161 CO 0.09 0.73 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.26 1s40 h LEU 162 N 1.28 1.03 -0.42 0.26 3.38 -0.84 -1.33 115.31 118.67 1s40 h LEU 162 Ca 0.37 -0.34 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1s40 h LEU 162 Cb -0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1s40 h LEU 162 CO -0.10 1.14 -0.38 0.03 0.09 0.00 0.00 178.44 179.22 1s40 h ARG 163 N 0.91 0.92 -0.05 1.13 3.08 -0.16 -2.70 114.38 117.51 1s40 h ARG 163 Ca 0.14 -0.48 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1s40 h ARG 163 Cb 0.69 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1s40 h ARG 163 CO 0.05 1.13 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.87 1s40 h LEU 164 N 0.75 0.07 0.13 3.04 3.38 0.51 -2.64 115.31 120.55 1s40 h LEU 164 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s40 h LEU 164 Cb 0.97 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1s40 h LEU 164 CO 0.09 0.22 -0.06 0.15 0.09 0.00 0.00 178.44 178.93 1s40 h PHE 165 N 0.07 -0.16 -0.77 1.13 3.57 -0.92 -1.88 116.94 117.99 1s40 h PHE 165 Ca 0.01 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1s40 h PHE 165 Cb 0.31 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 38.99 1s40 h PHE 165 CO 0.00 0.01 0.24 1.88 -2.23 0.00 0.00 178.31 178.21 1s40 h TYR 166 N -0.30 0.39 -0.50 0.41 0.05 -1.34 0.49 116.97 116.16 1s40 h TYR 166 Ca -0.02 0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1s40 h TYR 166 Cb 0.24 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1s40 h TYR 166 CO -0.03 -0.05 0.30 1.96 -1.05 0.00 0.00 178.16 179.30 1s40 h GLN 167 N 0.33 0.59 -0.07 4.88 1.08 -1.31 -0.64 115.11 119.96 1s40 h GLN 167 Ca 0.44 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.58 1s40 h GLN 167 Cb 0.74 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1s40 h GLN 167 CO -0.49 0.39 -0.04 -0.09 -0.95 0.00 0.00 178.83 177.65 1s40 h ARG 168 N 0.60 0.15 -0.21 1.46 2.43 0.03 -2.86 114.38 115.99 1s40 h ARG 168 Ca 0.20 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1s40 h ARG 168 Cb 0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1s40 h ARG 168 CO -0.09 0.53 0.20 0.00 -1.51 0.00 0.00 179.97 179.10 1s40 h ALA 169 N 0.62 1.96 0.00 2.80 0.00 0.05 0.57 119.26 125.26 1s40 h ALA 169 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s40 h ALA 169 Cb 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s40 h ALA 169 CO 0.01 -0.31 -0.06 0.74 0.00 0.00 0.00 179.25 179.64 1s40 h PHE 170 N 0.00 0.00 0.00 0.00 0.04 -0.87 -0.72 116.94 115.39 1s40 h PHE 170 Ca 0.10 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1s40 h PHE 170 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1s40 h PHE 170 CO 0.00 0.06 -1.29 1.63 -0.60 0.00 0.00 178.31 178.11 1s40 n LYS 171 N -3.63 3.23 0.05 1.51 4.76 0.30 -4.06 118.16 120.32 1s40 n LYS 171 Ca -0.02 -0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.25 1s40 n LYS 171 Cb 0.16 -1.11 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1s40 n LYS 171 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s40 h ARG 172 N 0.00 0.57 -0.06 1.97 2.47 0.04 -3.31 114.38 116.06 1s40 h ARG 172 Ca -0.11 -0.59 -0.06 0.00 -1.26 0.00 0.00 59.98 57.97 1s40 h ARG 172 Cb 1.25 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1s40 h ARG 172 CO 0.01 1.20 -0.17 0.82 0.56 0.00 0.00 179.97 182.38 1s40 h ILE 173 N 0.33 1.43 0.00 2.04 1.08 -1.31 -3.48 117.51 117.60 1s40 h ILE 173 Ca -0.09 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 1s40 h ILE 173 Cb 1.59 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 1s40 h ILE 173 CO 0.18 0.43 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 1s40 n GLY 174 N 0.54 2.42 0.45 5.37 0.00 -1.25 -4.71 105.19 108.01 1s40 n GLY 174 Ca -0.08 -0.90 0.26 0.00 0.00 0.00 0.00 46.02 45.30 1s40 n GLY 174 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s40 h GLU 175 N 0.00 0.00 -0.19 1.61 4.57 -1.87 0.89 114.58 119.59 1s40 h GLU 175 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1s40 h GLU 175 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1s40 h GLU 175 CO 0.00 0.00 -0.03 1.03 -1.18 0.00 0.00 179.01 178.83 1s40 h SER 176 N 0.00 0.35 0.10 1.04 0.87 -1.95 -2.68 113.55 111.27 1s40 h SER 176 Ca 0.35 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1s40 h SER 176 Cb 1.65 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1s40 h SER 176 CO -0.00 0.62 -0.09 0.00 -0.53 0.00 0.00 176.83 176.82 1s40 h ALA 177 N 0.74 -0.18 -0.46 6.23 0.00 -1.11 -0.98 119.26 123.50 1s40 h ALA 177 Ca 0.05 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1s40 h ALA 177 Cb 0.46 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1s40 h ALA 177 CO 0.02 -0.62 0.42 0.82 0.00 0.00 0.00 179.25 179.89 1s40 h ILE 178 N -0.21 0.50 0.00 0.00 2.04 -1.49 0.51 117.51 118.86 1s40 h ILE 178 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1s40 h ILE 178 Cb 0.20 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1s40 h ILE 178 CO -0.02 0.00 -0.69 0.28 0.00 0.00 0.00 178.15 177.72 1s40 h SER 179 N 0.00 0.00 0.07 1.72 0.02 -0.84 0.98 113.55 115.50 1s40 h SER 179 Ca 0.22 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1s40 h SER 179 Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1s40 h SER 179 CO -0.00 0.69 -0.17 0.03 -1.14 0.00 0.00 176.83 176.24 1s40 h ARG 180 N 0.00 0.20 -0.34 3.45 2.47 0.51 -3.12 114.38 117.55 1s40 h ARG 180 Ca -0.01 -0.05 -0.26 0.00 -1.26 0.00 0.00 59.98 58.40 1s40 h ARG 180 Cb 1.27 -0.03 -0.36 0.00 -1.65 0.00 0.00 29.97 29.20 1s40 h ARG 180 CO 0.09 0.37 -0.98 0.66 0.56 0.00 0.00 179.97 180.67 1s40 n TYR 181 N -4.25 1.10 -0.20 3.04 4.01 -1.13 -4.91 117.16 114.82 1s40 n TYR 181 Ca -0.01 -1.68 -0.07 0.00 -0.16 0.00 0.00 57.90 55.98 1s40 n TYR 181 Cb 0.29 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1s40 n TYR 181 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1s40 h PHE 182 N 1.96 -1.09 0.05 -0.72 3.57 0.11 0.43 116.94 121.25 1s40 h PHE 182 Ca -0.05 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s40 h PHE 182 Cb 1.45 0.56 0.00 0.00 2.79 0.00 0.00 35.95 40.75 1s40 h PHE 182 CO 0.51 -0.40 -0.02 0.93 -2.23 0.00 0.00 178.31 177.10 1s40 h GLU 183 N -0.20 -0.07 -0.39 1.11 5.08 -1.88 -2.88 114.58 115.35 1s40 h GLU 183 Ca 0.21 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 1s40 h GLU 183 Cb 0.56 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1s40 h GLU 183 CO -0.68 0.42 0.62 0.93 -1.00 0.00 0.00 179.01 179.30 1s40 h GLU 184 N -0.59 0.00 0.11 2.33 4.39 -1.73 -0.40 114.58 118.70 1s40 h GLU 184 Ca -0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1s40 h GLU 184 Cb 0.52 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1s40 h GLU 184 CO 0.01 0.00 -0.66 -0.92 -1.16 0.00 0.00 179.01 176.28 1s40 h TYR 185 N 0.00 0.44 0.00 4.33 5.03 0.05 -3.25 116.97 123.58 1s40 h TYR 185 Ca 0.19 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 61.17 1s40 h TYR 185 Cb 1.42 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.68 1s40 h TYR 185 CO 0.00 1.25 0.00 2.89 -1.32 0.00 0.00 178.16 180.98 1s40 n ARG 186 N -4.22 0.05 0.00 1.82 1.85 -0.18 -4.68 116.66 111.30 1s40 n ARG 186 Ca -0.13 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1s40 n ARG 186 Cb 0.76 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.67 1s40 n ARG 186 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1s40 n ARG 187 N -1.42 0.00 0.34 2.89 0.63 -1.07 -0.95 116.66 117.09 1s40 n ARG 187 Ca 0.03 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.79 1s40 n ARG 187 Cb 0.10 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.92 1s40 n ARG 187 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1s40 h PHE 188 N 0.00 -0.78 0.00 -0.14 0.04 -1.91 -3.47 116.94 110.68 1s40 h PHE 188 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1s40 h PHE 188 Cb 0.00 0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1s40 h PHE 188 CO 0.00 -0.48 0.00 1.19 -0.60 0.00 0.00 178.31 178.42 1s40 n PHE 189 N -5.44 -3.60 -1.77 -0.55 3.72 -0.13 -5.14 117.46 104.55 1s40 n PHE 189 Ca -0.13 0.86 -0.32 0.00 -0.05 0.00 0.00 57.45 57.82 1s40 n PHE 189 Cb 0.34 2.37 0.03 0.00 -0.94 0.00 0.00 39.48 41.28 1s40 n PHE 189 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1s40 s PRO 190 N -1.92 3.10 0.00 -1.08 0.04 -1.26 -4.73 135.00 129.15 1s40 s PRO 190 Ca 0.00 1.05 0.27 0.00 0.04 0.00 0.00 61.00 62.36 1s40 s PRO 190 Cb 0.00 -2.01 0.87 0.00 0.04 0.00 0.00 34.50 33.40 1s40 s PRO 190 CO 0.00 -0.97 1.65 -0.89 0.04 0.00 0.00 177.00 176.82