#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s40 n MET 6 N 0.00 -5.59 -1.48 1.97 1.56 -1.26 -4.90 117.12 107.41 1s40 n MET 6 Ca 0.00 0.70 -0.12 0.00 -0.27 0.00 0.00 57.70 58.01 1s40 n MET 6 Cb 0.00 -5.44 0.09 0.00 2.15 0.00 0.00 33.22 30.03 1s40 n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1s40 n ALA 7 N -4.28 4.47 0.62 -5.12 0.00 -1.26 -4.67 120.51 110.27 1s40 n ALA 7 Ca -0.27 -3.59 0.10 0.00 0.00 0.00 0.00 53.44 49.68 1s40 n ALA 7 Cb 0.66 -0.34 0.27 0.00 0.00 0.00 0.00 19.45 20.05 1s40 n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s40 n ARG 8 N -0.86 2.15 -0.26 0.00 3.00 -1.26 -5.05 116.66 114.38 1s40 n ARG 8 Ca 0.34 -1.76 0.04 0.00 -0.00 0.00 0.00 57.85 56.47 1s40 n ARG 8 Cb 0.86 -1.44 -0.01 0.00 0.00 0.00 0.00 32.46 31.88 1s40 n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1s40 n LYS 9 N 0.95 -0.52 -3.49 -0.14 5.02 -1.26 -4.94 118.16 113.78 1s40 n LYS 9 Ca 0.18 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1s40 n LYS 9 Cb 0.46 -0.63 -0.05 0.00 -0.02 0.00 0.00 35.03 34.78 1s40 n LYS 9 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1s40 s ASP 10 N -4.08 -0.51 0.40 4.39 2.15 -1.26 -5.15 116.67 112.61 1s40 s ASP 10 Ca 0.00 0.74 0.00 0.00 0.43 0.00 0.00 52.55 53.72 1s40 s ASP 10 Cb 0.00 1.45 0.00 0.00 -0.30 0.00 0.00 42.92 44.07 1s40 s ASP 10 CO 0.00 -0.11 0.00 -0.81 -0.17 0.00 0.00 175.17 174.08 1s40 n PRO 11 N 4.43 0.88 -3.83 4.34 -0.04 -1.26 -5.04 135.00 134.48 1s40 n PRO 11 Ca -0.13 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.10 1s40 n PRO 11 Cb 0.55 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.10 0.51 0.16 0.52 2.01 -1.26 -4.18 115.64 113.51 1s40 s THR 12 Ca 0.00 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 1s40 s THR 12 Cb 0.00 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1s40 s THR 12 CO 0.00 0.28 0.43 0.27 -0.69 0.00 0.00 174.62 174.91 1s40 s ILE 13 N 1.83 0.05 0.00 1.82 -4.36 -1.26 -4.99 121.20 114.29 1s40 s ILE 13 Ca 0.04 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1s40 s ILE 13 Cb -0.12 -1.47 0.00 0.00 1.25 0.00 0.00 42.46 42.12 1s40 s ILE 13 CO -0.05 -0.23 0.00 -0.62 0.24 0.00 0.00 174.94 174.28 1s40 n GLU 14 N -0.27 0.00 0.00 0.37 -0.58 -1.26 -4.39 120.64 114.51 1s40 n GLU 14 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1s40 n GLU 14 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 1s40 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1s40 n PHE 15 N -0.31 0.00 -0.04 -0.32 3.01 -1.26 -2.93 117.46 115.61 1s40 n PHE 15 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1s40 n PHE 15 Cb 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.33 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 -3.05 3.43 0.00 0.00 6.02 -1.15 -4.95 117.38 117.68 1s40 n GLN 17 Ca -0.25 -2.75 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 1s40 n GLN 17 Cb 1.07 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 0.98 0.00 0.00 1.08 7.99 -1.26 -4.25 117.00 121.53 1s40 n LEU 18 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1s40 n LEU 18 Cb 0.80 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1s40 n LEU 18 CO 0.20 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 1s40 n GLY 19 N 0.00 -0.90 2.03 -0.72 0.00 -1.26 -4.93 105.19 99.41 1s40 n GLY 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -3.52 0.99 -0.00 -1.26 -5.04 117.00 108.16 1s40 n LEU 20 Ca 0.00 -0.19 -0.12 0.00 -0.00 0.00 0.00 56.01 55.70 1s40 n LEU 20 Cb 0.00 -0.46 -0.04 0.00 -0.00 0.00 0.00 43.42 42.92 1s40 n LEU 20 CO 0.00 -1.94 0.30 -1.81 -0.00 0.00 0.00 177.39 173.94 1s40 s ASP 21 N -1.55 -0.44 0.02 1.96 1.11 -1.26 -4.99 116.67 111.51 1s40 s ASP 21 Ca 0.15 -0.03 -0.05 0.00 0.18 0.00 0.00 52.55 52.80 1s40 s ASP 21 Cb -0.03 0.54 -0.02 0.00 1.07 0.00 0.00 42.92 44.48 1s40 s ASP 21 CO 0.12 -0.86 1.08 0.74 1.18 0.00 0.00 175.17 177.43 1s40 h THR 22 N 2.32 0.00 0.00 -1.27 2.02 -1.96 -0.04 112.91 113.98 1s40 h THR 22 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1s40 h THR 22 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1s40 h THR 22 CO 0.41 0.00 0.00 0.33 0.37 0.00 0.00 175.52 176.63 1s40 n PHE 23 N -2.99 0.00 0.00 3.16 7.35 -1.26 -4.43 117.46 119.29 1s40 n PHE 23 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1s40 n PHE 23 Cb 0.05 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.50 1s40 n PHE 23 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1s40 n GLU 24 N -1.38 1.74 0.00 -4.13 0.00 -0.03 -5.09 120.64 111.76 1s40 n GLU 24 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1s40 n GLU 24 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.57 1s40 n GLU 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1s40 n THR 25 N -0.28 0.00 -3.55 6.31 -1.04 -1.26 -4.81 114.28 109.65 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 0.52 -4.77 -2.82 2.85 -1.09 -4.99 118.16 107.86 1s40 n LYS 26 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 1s40 n LYS 26 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 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 -1.29 1.63 0.32 5.58 2.02 -1.26 -2.43 117.35 121.92 1s40 s TYR 27 Ca 0.00 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.07 1s40 s TYR 27 Cb 0.00 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1s40 s TYR 27 CO 0.00 -0.19 0.63 0.96 -1.57 0.00 0.00 175.55 175.38 1s40 s ILE 28 N 0.16 0.00 -0.15 2.71 -4.36 -0.62 -4.90 121.20 114.05 1s40 s ILE 28 Ca -0.06 -1.23 -0.06 0.00 -0.26 0.00 0.00 60.65 59.04 1s40 s ILE 28 Cb -0.12 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1s40 s ILE 28 CO 0.03 0.00 0.05 -0.89 0.24 0.00 0.00 174.94 174.37 1s40 s THR 29 N -3.25 4.71 -0.14 8.37 2.01 -1.26 0.17 115.64 126.25 1s40 s THR 29 Ca 0.19 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1s40 s THR 29 Cb -0.03 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1s40 s THR 29 CO 0.12 0.51 0.02 -0.32 -0.69 0.00 0.00 174.62 174.26 1s40 s MET 30 N -0.04 3.54 0.30 4.92 1.75 0.59 -4.14 119.30 126.20 1s40 s MET 30 Ca 0.06 -0.40 0.11 0.00 -1.25 0.00 0.00 55.69 54.21 1s40 s MET 30 Cb -0.12 -2.99 -0.05 0.00 2.84 0.00 0.00 34.83 34.50 1s40 s MET 30 CO 0.01 0.44 -0.13 0.12 -0.65 0.00 0.00 175.02 174.81 1s40 s PHE 31 N -0.13 2.39 0.00 4.11 2.19 -1.26 -1.22 117.98 124.05 1s40 s PHE 31 Ca 0.05 -0.36 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1s40 s PHE 31 Cb -0.12 -1.15 0.00 0.00 -1.31 0.00 0.00 43.02 40.44 1s40 s PHE 31 CO 0.02 0.65 0.00 0.41 1.83 0.00 0.00 175.22 178.13 1s40 n GLY 32 N -0.73 2.95 3.64 13.12 0.00 -1.22 -4.35 105.19 118.60 1s40 n GLY 32 Ca -0.05 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.15 4.13 -0.13 1.61 1.75 0.13 -2.76 119.30 121.88 1s40 s MET 33 Ca 0.00 0.26 -0.39 0.00 -1.25 0.00 0.00 55.69 54.31 1s40 s MET 33 Cb 0.00 -3.59 -0.16 0.00 2.84 0.00 0.00 34.83 33.92 1s40 s MET 33 CO 0.00 -0.18 1.57 -0.11 -0.65 0.00 0.00 175.02 175.64 1s40 n LEU 34 N 4.95 2.02 0.04 4.11 0.00 -1.26 -1.92 117.00 124.94 1s40 n LEU 34 Ca -0.06 1.10 -0.19 0.00 0.00 0.00 0.00 56.01 56.85 1s40 n LEU 34 Cb 0.50 -1.15 -0.14 0.00 0.00 0.00 0.00 43.42 42.63 1s40 n LEU 34 CO 0.40 -0.72 -0.54 0.58 0.00 0.00 0.00 177.39 177.11 1s40 h VAL 35 N 4.41 0.91 -1.83 1.96 2.07 0.27 -3.40 116.25 120.64 1s40 h VAL 35 Ca -0.47 -2.57 0.34 0.00 0.82 0.00 0.00 66.70 64.82 1s40 h VAL 35 Cb 1.33 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 33.67 1s40 h VAL 35 CO 0.88 0.82 0.89 -0.94 0.02 0.00 0.00 177.57 179.24 1s40 s SER 36 N -7.02 -0.01 -0.02 0.57 1.04 -1.14 -3.93 113.70 103.19 1s40 s SER 36 Ca -0.14 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1s40 s SER 36 Cb 0.06 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1s40 s SER 36 CO 0.83 -0.27 -0.05 0.00 0.98 0.00 0.00 173.24 174.73 1s40 s SER 38 N 0.23 1.49 0.00 0.00 1.04 -0.96 -4.99 113.70 110.51 1s40 s SER 38 Ca -0.02 -0.12 0.15 0.00 0.48 0.00 0.00 55.95 56.43 1s40 s SER 38 Cb -0.06 -0.15 0.53 0.00 0.10 0.00 0.00 66.02 66.44 1s40 s SER 38 CO -0.00 -0.28 1.39 2.22 0.98 0.00 0.00 173.24 177.55 1s40 n PHE 39 N 5.30 0.31 0.00 5.02 1.16 -1.26 -1.50 117.46 126.48 1s40 n PHE 39 Ca -0.04 -0.16 0.00 0.00 -1.87 0.00 0.00 57.45 55.38 1s40 n PHE 39 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1s40 n PHE 39 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1s40 n ASP 40 N 0.32 0.00 -4.61 5.98 -0.08 -1.26 -4.21 116.55 112.70 1s40 n ASP 40 Ca 0.13 0.94 -0.50 0.00 -1.51 0.00 0.00 54.79 53.86 1s40 n ASP 40 Cb 0.28 -0.44 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 1s40 n ASP 40 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1s40 n LYS 41 N -2.54 1.70 0.06 -0.67 4.76 -1.26 -4.79 118.16 115.42 1s40 n LYS 41 Ca 0.00 0.57 0.09 0.00 -2.87 0.00 0.00 58.31 56.10 1s40 n LYS 41 Cb 0.00 -2.59 0.39 0.00 -1.84 0.00 0.00 35.03 30.98 1s40 n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1s40 n PRO 42 N 7.22 0.09 0.20 1.97 -0.04 -1.26 -2.36 135.00 140.82 1s40 n PRO 42 Ca 0.30 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 1s40 n PRO 42 Cb 0.27 -1.68 0.40 0.00 -0.04 0.00 0.00 33.50 32.46 1s40 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s40 h ALA 43 N 2.36 1.00 0.00 0.55 0.00 -1.92 -3.46 119.26 117.79 1s40 h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s40 h ALA 43 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s40 h ALA 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 179.25 181.22 1s40 n PHE 44 N -2.82 0.00 -3.72 0.00 1.16 -0.99 -4.48 117.46 106.61 1s40 n PHE 44 Ca 0.03 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.24 1s40 n PHE 44 Cb 0.41 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.18 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 3.62 -0.60 1.97 -1.09 -1.11 -4.49 121.20 116.50 1s40 s ILE 45 Ca 0.00 -2.38 -0.33 0.00 -2.23 0.00 0.00 60.65 55.72 1s40 s ILE 45 Cb 0.00 -3.41 -0.14 0.00 -1.58 0.00 0.00 42.46 37.32 1s40 s ILE 45 CO 0.00 -0.78 2.39 -1.20 -1.23 0.00 0.00 174.94 174.12 1s40 n SER 46 N 4.20 1.45 -4.35 3.58 7.64 -0.56 -4.26 113.62 121.31 1s40 n SER 46 Ca 0.01 0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.68 1s40 n SER 46 Cb 0.40 -1.19 -0.13 0.00 -1.01 0.00 0.00 64.21 62.28 1s40 n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1s40 s PHE 47 N 8.82 3.11 -0.25 1.43 0.40 0.03 -2.27 117.98 129.24 1s40 s PHE 47 Ca 1.16 -0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 56.51 1s40 s PHE 47 Cb -0.90 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.36 1s40 s PHE 47 CO 0.46 -0.53 0.15 0.08 0.70 0.00 0.00 175.22 176.07 1s40 s VAL 48 N 1.51 5.09 0.55 -0.44 1.01 -1.18 -0.14 120.40 126.80 1s40 s VAL 48 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1s40 s VAL 48 Cb -0.16 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1s40 s VAL 48 CO 0.02 0.32 0.32 0.49 0.00 0.00 0.00 175.10 176.24 1s40 n PHE 49 N 4.63 -0.15 -3.41 5.22 3.01 -0.95 0.23 117.46 126.05 1s40 n PHE 49 Ca -0.15 -2.40 0.01 0.00 1.01 0.00 0.00 57.45 55.92 1s40 n PHE 49 Cb 0.52 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 1s40 n PHE 49 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s40 s SER 50 N -4.16 -1.15 0.45 4.37 1.04 -0.81 -2.20 113.70 111.24 1s40 s SER 50 Ca 0.24 1.17 0.01 0.00 0.48 0.00 0.00 55.95 57.84 1s40 s SER 50 Cb -0.02 2.14 0.01 0.00 0.10 0.00 0.00 66.02 68.25 1s40 s SER 50 CO 0.15 -0.24 0.06 -0.90 0.98 0.00 0.00 173.24 173.29 1s40 n ASP 51 N 5.43 3.11 0.08 7.02 5.68 -1.22 0.18 116.55 136.83 1s40 n ASP 51 Ca -0.06 -2.89 -0.19 0.00 -0.50 0.00 0.00 54.79 51.14 1s40 n ASP 51 Cb 0.50 0.25 -0.15 0.00 -1.14 0.00 0.00 41.12 40.58 1s40 n ASP 51 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1s40 h PHE 52 N 1.12 0.59 -1.54 2.11 3.57 -1.90 -3.45 116.94 117.44 1s40 h PHE 52 Ca -0.36 -0.43 -0.64 0.00 3.53 0.00 0.00 57.97 60.07 1s40 h PHE 52 Cb 1.12 -0.02 0.13 0.00 2.79 0.00 0.00 35.95 39.96 1s40 h PHE 52 CO 0.00 1.47 -0.62 0.25 -2.23 0.00 0.00 178.31 177.18 1s40 n THR 53 N -3.52 1.46 -3.30 4.41 -2.24 -1.26 -4.88 114.28 104.94 1s40 n THR 53 Ca -0.18 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.71 1s40 n THR 53 Cb 1.06 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.12 4.13 0.48 -0.78 1.02 -1.26 -4.61 119.74 117.60 1s40 s LYS 54 Ca 0.62 0.28 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 1s40 s LYS 54 Cb -0.76 -3.59 -0.08 0.00 -0.52 0.00 0.00 37.83 32.89 1s40 s LYS 54 CO 0.59 -0.18 1.34 -1.71 -0.92 0.00 0.00 175.35 174.47 1s40 n ASN 55 N 4.95 2.76 0.00 2.83 4.05 -0.77 -1.96 115.26 127.13 1s40 n ASN 55 Ca -0.06 1.06 0.00 0.00 0.45 0.00 0.00 54.58 56.03 1s40 n ASN 55 Cb 0.50 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 39.96 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1s40 n ASP 56 N -0.35 1.30 -4.95 1.20 2.03 -0.85 -4.89 116.55 110.04 1s40 n ASP 56 Ca 0.08 -0.28 -0.23 0.00 0.52 0.00 0.00 54.79 54.88 1s40 n ASP 56 Cb 0.42 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 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 -1.08 4.48 0.37 5.18 1.01 -1.26 -4.98 121.20 124.92 1s40 s ILE 57 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.25 1s40 s ILE 57 Cb 0.00 -3.64 0.33 0.00 0.01 0.00 0.00 42.46 39.16 1s40 s ILE 57 CO 0.00 -0.43 1.87 1.62 0.00 0.00 0.00 174.94 178.00 1s40 h VAL 58 N 0.57 0.81 -0.22 2.92 3.04 -1.97 -3.47 116.25 117.93 1s40 h VAL 58 Ca -0.48 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1s40 h VAL 58 Cb 1.24 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1s40 h VAL 58 CO 0.59 0.12 0.00 1.67 -1.01 0.00 0.00 177.57 178.93 1s40 n GLN 59 N -4.56 0.00 0.00 4.17 7.27 -1.26 -4.88 117.38 118.12 1s40 n GLN 59 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1s40 n GLN 59 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 1s40 n GLN 59 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1s40 n ASN 60 N -3.87 0.00 -4.94 1.69 4.05 -1.26 -4.59 115.26 106.34 1s40 n ASN 60 Ca 0.00 0.00 -0.26 0.00 0.45 0.00 0.00 54.58 54.77 1s40 n ASN 60 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 1s40 n ASN 60 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1s40 s TYR 61 N 2.79 3.48 -0.02 1.20 5.04 -1.26 -4.78 117.35 123.80 1s40 s TYR 61 Ca 0.00 0.12 0.10 0.00 -2.44 0.00 0.00 57.07 54.85 1s40 s TYR 61 Cb 0.00 -1.67 -0.16 0.00 0.35 0.00 0.00 41.96 40.48 1s40 s TYR 61 CO 0.00 0.52 0.21 1.28 -1.34 0.00 0.00 175.55 176.21 1s40 n LEU 62 N -0.50 0.00 0.00 6.97 4.77 -1.26 -4.68 117.00 122.30 1s40 n LEU 62 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1s40 n LEU 62 Cb 0.54 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1s40 n LEU 62 CO 0.49 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.58 1s40 n TYR 63 N -1.93 0.00 0.00 -1.77 9.36 -1.26 -4.56 117.16 117.01 1s40 n TYR 63 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1s40 n TYR 63 Cb 0.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 1s40 n TYR 63 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1s40 n ASP 64 N -1.92 0.00 -3.98 2.98 9.92 -1.26 -4.07 116.55 118.22 1s40 n ASP 64 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1s40 n ASP 64 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 1s40 n ASP 64 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1s40 s ARG 65 N 0.00 1.54 -1.42 -1.24 1.81 -1.26 -5.01 118.95 113.36 1s40 s ARG 65 Ca 0.00 -1.54 -0.10 0.00 -1.72 0.00 0.00 55.73 52.37 1s40 s ARG 65 Cb 0.00 -2.89 0.06 0.00 -0.45 0.00 0.00 34.95 31.67 1s40 s ARG 65 CO 0.00 -0.83 2.31 0.66 -0.68 0.00 0.00 175.30 176.76 1s40 n TYR 66 N 4.43 2.95 -1.50 -0.53 4.01 -1.26 -4.91 117.16 120.35 1s40 n TYR 66 Ca -0.03 -2.92 0.17 0.00 -0.16 0.00 0.00 57.90 54.96 1s40 n TYR 66 Cb 0.42 -2.23 -0.09 0.00 -0.31 0.00 0.00 39.34 37.13 1s40 n TYR 66 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1s40 n LEU 67 N 4.11 -1.12 -0.03 7.72 7.94 -1.26 -4.10 117.00 130.26 1s40 n LEU 67 Ca 0.56 2.54 -0.15 0.00 -1.11 0.00 0.00 56.01 57.85 1s40 n LEU 67 Cb 0.32 -3.14 -0.09 0.00 0.53 0.00 0.00 43.42 41.04 1s40 n LEU 67 CO 0.83 -2.10 0.41 0.40 -1.11 0.00 0.00 177.39 175.83 1s40 h ILE 68 N -1.35 1.41 -0.23 1.96 2.04 -1.91 -3.45 117.51 115.98 1s40 h ILE 68 Ca -0.19 -1.76 -0.67 0.00 1.00 0.00 0.00 64.86 63.23 1s40 h ILE 68 Cb 1.39 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.76 1s40 h ILE 68 CO 0.07 0.51 0.96 0.47 0.00 0.00 0.00 178.15 180.17 1s40 n ASP 69 N -4.38 0.73 -1.93 1.72 9.92 -1.26 -4.75 116.55 116.61 1s40 n ASP 69 Ca -0.08 0.69 -0.20 0.00 -0.53 0.00 0.00 54.79 54.67 1s40 n ASP 69 Cb 0.53 -0.75 0.08 0.00 -0.64 0.00 0.00 41.12 40.34 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 5.50 2.05 0.07 1.24 4.01 -1.26 -4.15 117.16 124.61 1s40 n TYR 70 Ca 0.41 -1.91 0.00 0.00 -0.16 0.00 0.00 57.90 56.24 1s40 n TYR 70 Cb -0.04 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 1s40 n TYR 70 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1s40 n GLU 71 N -0.29 0.00 -1.56 -0.72 2.13 -1.26 -5.10 120.64 113.84 1s40 n GLU 71 Ca 0.40 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.16 1s40 n GLU 71 Cb 0.89 -0.38 0.02 0.00 0.27 0.00 0.00 31.44 32.24 1s40 n GLU 71 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s40 n ASN 72 N -3.44 0.60 -4.12 4.31 3.02 -1.26 -5.12 115.26 109.26 1s40 n ASN 72 Ca 0.00 -1.44 -0.26 0.00 -0.03 0.00 0.00 54.58 52.84 1s40 n ASN 72 Cb 0.04 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 1s40 n ASN 72 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s40 s LYS 73 N -2.78 1.90 0.18 3.52 -0.14 -1.26 -4.92 119.74 116.24 1s40 s LYS 73 Ca 0.18 -0.59 -0.32 0.00 -1.36 0.00 0.00 55.97 53.88 1s40 s LYS 73 Cb -0.01 -1.60 -0.10 0.00 -1.68 0.00 0.00 37.83 34.43 1s40 s LYS 73 CO 0.11 0.19 1.60 -1.17 -0.76 0.00 0.00 175.35 175.32 1s40 s LEU 74 N 0.21 4.37 1.08 3.17 2.96 -1.26 -4.97 118.68 124.25 1s40 s LEU 74 Ca -0.08 2.67 -0.12 0.00 -0.22 0.00 0.00 54.13 56.38 1s40 s LEU 74 Cb -0.13 -3.60 0.23 0.00 0.50 0.00 0.00 46.19 43.20 1s40 s LEU 74 CO 0.03 -0.85 1.06 -1.83 -1.32 0.00 0.00 176.35 173.44 1s40 s GLU 75 N 1.11 -0.23 0.00 1.98 -1.05 -1.26 -4.91 118.70 114.34 1s40 s GLU 75 Ca 0.71 0.72 0.20 0.00 -0.15 0.00 0.00 54.97 56.44 1s40 s GLU 75 Cb -0.45 -1.64 0.54 0.00 -0.44 0.00 0.00 34.13 32.14 1s40 s GLU 75 CO 0.32 -3.23 1.44 1.28 0.95 0.00 0.00 175.26 176.02 1s40 n LEU 76 N -4.55 2.61 -1.20 1.83 4.77 -1.26 -3.89 117.00 115.30 1s40 n LEU 76 Ca 0.04 -1.18 0.08 0.00 -0.03 0.00 0.00 56.01 54.92 1s40 n LEU 76 Cb 0.55 -0.24 0.30 0.00 -2.33 0.00 0.00 43.42 41.70 1s40 n LEU 76 CO 0.57 0.59 0.75 0.59 -1.33 0.00 0.00 177.39 178.57 1s40 n ASN 77 N 0.93 4.33 0.02 -1.43 3.02 -1.26 -4.66 115.26 116.21 1s40 n ASN 77 Ca 0.17 -2.76 -0.01 0.00 -0.03 0.00 0.00 54.58 51.96 1s40 n ASN 77 Cb 0.45 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1s40 n ASN 77 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s40 n GLU 78 N 0.17 0.06 -2.95 3.52 2.13 -1.25 -1.84 120.64 120.48 1s40 n GLU 78 Ca 0.22 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.86 1s40 n GLU 78 Cb 0.90 -0.47 0.07 0.00 0.27 0.00 0.00 31.44 32.21 1s40 n GLU 78 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1s40 s GLY 79 N -3.79 1.75 0.33 8.31 0.00 -1.25 -3.41 107.32 109.26 1s40 s GLY 79 Ca -0.03 -2.03 -0.07 0.00 0.00 0.00 0.00 44.72 42.59 1s40 s GLY 79 CO 0.05 -1.57 0.52 -0.11 0.00 0.00 0.00 173.10 171.98 1s40 s PHE 80 N -2.74 0.77 -0.14 1.90 -0.71 -0.94 -4.91 117.98 111.22 1s40 s PHE 80 Ca 0.62 -1.10 -0.06 0.00 -1.04 0.00 0.00 56.93 55.35 1s40 s PHE 80 Cb -0.06 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 1s40 s PHE 80 CO 0.40 -1.16 0.10 0.15 -1.34 0.00 0.00 175.22 173.36 1s40 s LYS 81 N -3.16 3.56 0.05 1.99 1.02 -1.26 -2.23 119.74 119.70 1s40 s LYS 81 Ca 0.27 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.08 1s40 s LYS 81 Cb -0.01 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1s40 s LYS 81 CO 0.16 0.60 -0.18 0.00 -0.92 0.00 0.00 175.35 175.01 1s40 s ALA 82 N -0.53 1.49 -0.07 5.17 0.00 0.80 -4.62 121.76 123.99 1s40 s ALA 82 Ca 0.11 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.14 1s40 s ALA 82 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1s40 s ALA 82 CO 0.02 0.31 -0.20 0.96 0.00 0.00 0.00 175.76 176.85 1s40 s ILE 83 N -0.87 1.72 -0.11 0.00 -5.25 -1.26 -0.79 121.20 114.64 1s40 s ILE 83 Ca 0.04 -0.85 -0.02 0.00 -0.99 0.00 0.00 60.65 58.83 1s40 s ILE 83 Cb -0.09 -1.49 0.04 0.00 2.95 0.00 0.00 42.46 43.87 1s40 s ILE 83 CO 0.02 0.49 0.02 -0.32 -1.79 0.00 0.00 174.94 173.35 1s40 s MET 84 N 0.23 0.55 0.10 0.37 1.75 -1.26 -2.18 119.30 118.86 1s40 s MET 84 Ca -0.11 -0.05 -0.34 0.00 -1.25 0.00 0.00 55.69 53.93 1s40 s MET 84 Cb -0.15 -1.36 -0.18 0.00 2.84 0.00 0.00 34.83 35.97 1s40 s MET 84 CO 0.05 -0.43 0.81 0.98 -0.65 0.00 0.00 175.02 175.78 1s40 n TYR 85 N 5.13 0.11 -0.34 4.11 9.36 -1.26 -2.74 117.16 131.52 1s40 n TYR 85 Ca -0.07 1.01 0.19 0.00 3.32 0.00 0.00 57.90 62.35 1s40 n TYR 85 Cb 0.49 -2.03 0.41 0.00 -0.63 0.00 0.00 39.34 37.58 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1s40 h LYS 86 N 2.04 0.50 0.14 2.98 1.57 -1.88 1.30 116.57 123.23 1s40 h LYS 86 Ca -0.40 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1s40 h LYS 86 Cb 1.43 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1s40 h LYS 86 CO 0.61 0.33 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.79 1s40 h ASN 87 N 0.52 -0.16 0.21 0.86 -1.24 -1.97 0.25 115.58 114.05 1s40 h ASN 87 Ca 0.67 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.57 1s40 h ASN 87 Cb 1.34 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.43 1s40 h ASN 87 CO -0.50 -0.03 -0.17 -0.61 -1.29 0.00 0.00 177.43 174.82 1s40 h GLN 88 N -0.28 0.00 -0.41 6.67 5.75 -0.76 -2.19 115.11 123.89 1s40 h GLN 88 Ca -0.02 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1s40 h GLN 88 Cb 0.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1s40 h GLN 88 CO 0.03 0.17 -0.12 0.35 -2.65 0.00 0.00 178.83 176.61 1s40 h PHE 89 N 0.00 0.92 -0.86 3.99 3.57 0.26 -2.66 116.94 122.15 1s40 h PHE 89 Ca -0.00 -0.20 0.18 0.00 3.53 0.00 0.00 57.97 61.48 1s40 h PHE 89 Cb 0.33 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 1s40 h PHE 89 CO 0.00 0.94 0.38 0.93 -2.23 0.00 0.00 178.31 178.33 1s40 h GLU 90 N 0.63 0.45 -0.62 1.11 5.08 0.13 1.06 114.58 122.40 1s40 h GLU 90 Ca 0.10 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1s40 h GLU 90 Cb 0.66 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1s40 h GLU 90 CO 0.05 0.30 0.41 1.15 -1.00 0.00 0.00 179.01 179.92 1s40 h THR 91 N 0.46 1.08 0.21 1.13 2.02 -1.45 -0.14 112.91 116.23 1s40 h THR 91 Ca 0.50 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1s40 h THR 91 Cb 0.86 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1s40 h THR 91 CO -0.46 0.13 -0.10 0.15 0.37 0.00 0.00 175.52 175.61 1s40 h PHE 92 N 0.73 -0.27 -0.49 3.16 3.04 0.12 -2.82 116.94 120.42 1s40 h PHE 92 Ca 0.25 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.28 1s40 h PHE 92 Cb 0.09 0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.61 1s40 h PHE 92 CO -0.00 0.12 0.08 0.22 -2.02 0.00 0.00 178.31 176.71 1s40 h ASP 93 N -0.79 -0.04 -1.00 0.41 3.58 -0.68 0.80 116.42 118.70 1s40 h ASP 93 Ca -0.03 0.09 0.18 0.00 0.42 0.00 0.00 57.03 57.69 1s40 h ASP 93 Cb 0.51 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.60 1s40 h ASP 93 CO 0.05 0.01 0.62 -1.28 -2.88 0.00 0.00 179.24 175.75 1s40 h SER 94 N 0.21 0.77 -0.68 2.28 0.87 -1.05 1.64 113.55 117.60 1s40 h SER 94 Ca 0.25 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1s40 h SER 94 Cb 0.34 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1s40 h SER 94 CO -0.34 0.30 0.22 0.11 -0.53 0.00 0.00 176.83 176.60 1s40 h LYS 95 N 0.77 1.06 0.00 2.24 1.79 -0.60 -2.83 116.57 119.01 1s40 h LYS 95 Ca 0.55 -0.21 -0.23 0.00 -2.18 0.00 0.00 60.65 58.58 1s40 h LYS 95 Cb 0.85 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 1s40 h LYS 95 CO -0.34 0.90 -1.21 -0.07 -1.08 0.00 0.00 179.45 177.66 1s40 h LEU 96 N 1.03 0.00 -2.05 2.94 3.38 0.11 -3.29 115.31 117.42 1s40 h LEU 96 Ca 0.23 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1s40 h LEU 96 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1s40 h LEU 96 CO -0.01 0.99 0.36 0.03 0.09 0.00 0.00 178.44 179.91 1s40 h ARG 97 N 0.00 0.00 0.00 1.13 3.08 0.25 1.19 114.38 120.02 1s40 h ARG 97 Ca -0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1s40 h ARG 97 Cb 1.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 1s40 h ARG 97 CO 0.11 0.00 -0.33 0.87 -1.07 0.00 0.00 179.97 179.55 1s40 h LYS 98 N 0.00 0.00 -0.00 0.04 1.79 -1.62 2.19 116.57 118.97 1s40 h LYS 98 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1s40 h LYS 98 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1s40 h LYS 98 CO -0.00 0.33 -0.56 -0.89 -1.08 0.00 0.00 179.45 177.26 1s40 n ILE 99 N -3.30 0.00 0.00 1.86 5.41 0.21 -4.48 119.36 119.06 1s40 n ILE 99 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1s40 n ILE 99 Cb 0.58 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.59 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 -0.84 0.00 -0.85 1.39 3.72 0.35 -4.98 117.46 116.24 1s40 n PHE 100 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1s40 n PHE 100 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.74 -4.33 -1.70 4.37 2.85 0.74 -4.83 115.26 111.61 1s40 n ASN 101 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1s40 n ASN 101 Cb 0.00 -3.17 0.00 0.00 1.24 0.00 0.00 39.78 37.85 1s40 n ASN 101 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1s40 n ASN 102 N -0.67 -0.73 -4.95 1.20 0.23 -1.24 -5.00 115.26 104.09 1s40 n ASN 102 Ca 0.00 -1.64 -0.25 0.00 -0.53 0.00 0.00 54.58 52.16 1s40 n ASN 102 Cb 0.36 1.25 -0.03 0.00 -2.08 0.00 0.00 39.78 39.29 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 -1.79 1.56 0.49 4.83 0.00 -1.26 -3.65 107.32 107.50 1s40 s GLY 103 Ca 0.08 -1.01 0.34 0.00 0.00 0.00 0.00 44.72 44.12 1s40 s GLY 103 CO 0.06 -1.00 1.71 -2.00 0.00 0.00 0.00 173.10 171.87 1s40 h LEU 104 N 1.70 0.15 -0.45 0.66 5.85 -1.97 0.58 115.31 121.83 1s40 h LEU 104 Ca -0.49 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1s40 h LEU 104 Cb 1.21 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1s40 h LEU 104 CO 0.66 -0.03 0.23 0.08 -0.34 0.00 0.00 178.44 179.04 1s40 h ARG 105 N 0.10 0.64 0.00 1.25 0.11 -1.92 -1.64 114.38 112.93 1s40 h ARG 105 Ca 0.71 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 60.70 1s40 h ARG 105 Cb 2.48 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 33.43 1s40 h ARG 105 CO -0.17 0.53 -0.02 -0.44 0.10 0.00 0.00 179.97 179.96 1s40 h ASP 106 N 0.59 0.00 0.69 0.08 3.32 -0.19 -1.17 116.42 119.74 1s40 h ASP 106 Ca 0.16 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1s40 h ASP 106 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1s40 h ASP 106 CO -0.02 0.02 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.02 1s40 h LEU 107 N 0.00 0.00 -9.10 1.55 3.38 -1.04 -3.43 115.31 106.67 1s40 h LEU 107 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1s40 h LEU 107 Cb 0.18 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.73 1s40 h LEU 107 CO 0.00 0.43 -0.74 0.00 0.09 0.00 0.00 178.44 178.22 1s40 s GLN 108 N -3.72 2.37 0.00 1.13 -2.07 -0.44 -4.90 119.66 112.02 1s40 s GLN 108 Ca -0.01 -0.82 0.19 0.00 -1.82 0.00 0.00 55.36 52.90 1s40 s GLN 108 Cb 0.12 -2.38 0.56 0.00 -1.09 0.00 0.00 33.01 30.22 1s40 s GLN 108 CO 0.71 0.58 1.46 -1.71 -1.32 0.00 0.00 175.29 175.01 1s40 n ASN 109 N 1.58 3.37 0.00 12.60 4.05 -1.26 -4.89 115.26 130.71 1s40 n ASN 109 Ca -0.16 -2.00 0.00 0.00 0.45 0.00 0.00 54.58 52.87 1s40 n ASN 109 Cb 0.52 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.11 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s40 n GLY 110 N 1.50 3.29 0.00 8.20 0.00 -1.26 -4.88 105.19 112.04 1s40 n GLY 110 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1s40 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s40 n ARG 111 N -1.28 0.00 -2.00 1.61 1.74 -1.26 -4.94 116.66 110.53 1s40 n ARG 111 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1s40 n ARG 111 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 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 4.90 -0.08 0.55 -1.08 -1.26 -4.51 116.67 116.19 1s40 s ASP 112 Ca 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 52.55 50.91 1s40 s ASP 112 Cb 0.00 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1s40 s ASP 112 CO 0.00 -3.11 -0.08 -1.84 0.52 0.00 0.00 175.17 170.67 1s40 n GLU 113 N 8.54 0.18 -3.74 4.34 0.28 -1.26 -4.54 120.64 124.44 1s40 n GLU 113 Ca 0.43 0.05 -0.24 0.00 -0.16 0.00 0.00 57.16 57.24 1s40 n GLU 113 Cb 0.47 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 32.29 1s40 n GLU 113 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s40 n ASN 114 N -2.90 -4.54 -3.25 -1.84 3.02 -1.26 -4.75 115.26 99.74 1s40 n ASN 114 Ca -0.14 -0.93 -0.37 0.00 -0.03 0.00 0.00 54.58 53.11 1s40 n ASN 114 Cb 0.63 -1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.26 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 -2.51 8.29 -0.43 3.41 4.77 -1.26 -4.06 117.00 125.20 1s40 n LEU 115 Ca -0.31 -4.44 0.00 0.00 -0.03 0.00 0.00 56.01 51.23 1s40 n LEU 115 Cb 0.66 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1s40 n LEU 115 CO 0.61 2.04 0.25 -0.24 -1.33 0.00 0.00 177.39 178.71 1s40 n SER 116 N 2.90 0.00 -0.57 -1.43 2.88 -1.25 -3.82 113.62 112.33 1s40 n SER 116 Ca 0.71 -1.77 0.05 0.00 -1.33 0.00 0.00 58.87 56.53 1s40 n SER 116 Cb 0.29 -0.15 0.08 0.00 -0.75 0.00 0.00 64.21 63.67 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s40 n GLN 117 N 0.00 0.64 0.00 -1.46 0.00 -1.26 -4.73 117.38 110.57 1s40 n GLN 117 Ca 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 57.00 55.04 1s40 n GLN 117 Cb 0.65 -0.89 -0.08 0.00 0.00 0.00 0.00 30.24 29.93 1s40 n GLN 117 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1s40 n TYR 118 N -0.52 0.00 -3.31 2.61 4.19 -1.26 -4.02 117.16 114.85 1s40 n TYR 118 Ca 0.09 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 61.14 1s40 n TYR 118 Cb 0.76 0.00 0.08 0.00 0.49 0.00 0.00 39.34 40.68 1s40 n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1s40 n GLY 119 N 1.34 -0.30 0.28 2.98 0.00 -1.26 -4.94 105.19 103.28 1s40 n GLY 119 Ca 0.03 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1s40 n GLY 119 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s40 h ILE 120 N -1.74 0.36 -4.34 -0.61 2.04 -1.92 -3.45 117.51 107.84 1s40 h ILE 120 Ca -0.54 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1s40 h ILE 120 Cb 1.31 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1s40 h ILE 120 CO 0.46 0.06 -0.97 0.52 0.00 0.00 0.00 178.15 178.22 1s40 n VAL 121 N -5.23 -9.63 -3.58 1.67 0.31 -1.26 -3.86 118.33 96.75 1s40 n VAL 121 Ca -0.10 3.07 -0.16 0.00 -0.01 0.00 0.00 64.34 67.14 1s40 n VAL 121 Cb 0.30 -4.47 -0.06 0.00 -0.91 0.00 0.00 33.84 28.70 1s40 n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s40 s LYS 123 N -1.63 2.29 -0.22 0.00 2.20 -0.75 -3.44 119.74 118.19 1s40 s LYS 123 Ca -0.10 -1.13 -0.26 0.00 -0.36 0.00 0.00 55.97 54.12 1s40 s LYS 123 Cb -0.01 -2.31 0.07 0.00 -1.51 0.00 0.00 37.83 34.07 1s40 s LYS 123 CO 0.05 0.46 0.71 0.00 -0.36 0.00 0.00 175.35 176.21 1s40 s MET 124 N -2.82 0.89 -0.58 4.03 0.23 -0.36 -2.95 119.30 117.74 1s40 s MET 124 Ca 0.26 0.82 -0.26 0.00 -1.03 0.00 0.00 55.69 55.48 1s40 s MET 124 Cb -0.09 0.43 0.04 0.00 -1.53 0.00 0.00 34.83 33.67 1s40 s MET 124 CO 0.17 -0.15 1.09 -0.80 -2.03 0.00 0.00 175.02 173.30 1s40 s ASN 125 N 0.00 6.37 0.00 -1.18 -0.87 -1.26 0.22 114.94 118.22 1s40 s ASN 125 Ca -0.03 -0.16 0.02 0.00 -1.57 0.00 0.00 52.86 51.12 1s40 s ASN 125 Cb -0.04 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1s40 s ASN 125 CO 0.03 -1.41 -0.00 -0.63 -2.57 0.00 0.00 177.10 172.52 1s40 s ILE 126 N 4.59 4.11 -0.27 0.60 1.01 0.44 -0.98 121.20 130.70 1s40 s ILE 126 Ca 0.37 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1s40 s ILE 126 Cb -0.10 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1s40 s ILE 126 CO 0.22 0.37 0.33 -0.75 0.00 0.00 0.00 174.94 175.11 1s40 s LYS 127 N -1.57 3.98 0.04 2.79 2.47 -0.57 -1.59 119.74 125.29 1s40 s LYS 127 Ca 0.20 -0.06 -0.15 0.00 -1.56 0.00 0.00 55.97 54.40 1s40 s LYS 127 Cb -0.11 -3.66 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 1s40 s LYS 127 CO 0.10 -0.27 0.44 0.14 0.16 0.00 0.00 175.35 175.93 1s40 s VAL 128 N 2.00 4.98 0.32 4.02 -7.23 -1.02 -0.86 120.40 122.62 1s40 s VAL 128 Ca 0.13 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.08 1s40 s VAL 128 Cb -0.16 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.05 1s40 s VAL 128 CO 0.10 0.50 0.47 -0.75 -0.31 0.00 0.00 175.10 175.11 1s40 s LYS 129 N -1.30 1.81 -0.84 4.82 2.20 0.55 -2.69 119.74 124.29 1s40 s LYS 129 Ca 0.27 -1.64 -0.09 0.00 -0.36 0.00 0.00 55.97 54.16 1s40 s LYS 129 Cb -0.16 0.45 0.22 0.00 -1.51 0.00 0.00 37.83 36.82 1s40 s LYS 129 CO 0.15 -0.75 0.76 -1.64 -0.36 0.00 0.00 175.35 173.51 1s40 s MET 130 N -3.28 3.43 -0.25 4.03 -1.94 -1.25 0.24 119.30 120.29 1s40 s MET 130 Ca 0.29 -2.74 -0.29 0.00 -1.71 0.00 0.00 55.69 51.24 1s40 s MET 130 Cb -0.00 -4.22 -0.03 0.00 2.01 0.00 0.00 34.83 32.58 1s40 s MET 130 CO 0.17 -1.25 1.85 -0.47 -0.01 0.00 0.00 175.02 175.31 1s40 s TYR 131 N -0.38 1.72 -1.31 -0.03 6.14 0.25 -2.12 117.35 121.62 1s40 s TYR 131 Ca 0.21 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.42 1s40 s TYR 131 Cb -0.12 -4.06 0.00 0.00 0.42 0.00 0.00 41.96 38.20 1s40 s TYR 131 CO -0.08 -3.39 0.00 0.09 0.64 0.00 0.00 175.55 172.81 1s40 n ASN 132 N 9.83 -3.27 0.00 4.32 4.13 -1.26 0.15 115.26 129.16 1s40 n ASN 132 Ca 0.23 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.79 1s40 n ASN 132 Cb 0.45 -3.08 0.00 0.00 -1.54 0.00 0.00 39.78 35.61 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s40 n GLY 133 N -0.24 0.33 3.97 7.41 0.00 -0.90 -5.08 105.19 110.68 1s40 n GLY 133 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.89 3.24 -0.60 1.61 3.01 0.40 -4.76 119.74 121.75 1s40 s LYS 134 Ca 0.00 -0.78 -0.26 0.00 -1.01 0.00 0.00 55.97 53.92 1s40 s LYS 134 Cb 0.00 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.00 1s40 s LYS 134 CO 0.00 0.12 2.03 -1.17 0.51 0.00 0.00 175.35 176.84 1s40 s LEU 135 N -4.20 3.30 -0.51 3.17 2.96 -1.26 0.88 118.68 123.02 1s40 s LEU 135 Ca 0.42 0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 54.59 1s40 s LEU 135 Cb -0.09 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.12 1s40 s LEU 135 CO 0.32 -2.57 0.72 0.21 -1.32 0.00 0.00 176.35 173.71 1s40 s ASN 136 N 9.28 6.27 -0.32 3.68 2.47 0.65 -4.80 114.94 132.16 1s40 s ASN 136 Ca 0.76 -0.69 0.01 0.00 0.42 0.00 0.00 52.86 53.36 1s40 s ASN 136 Cb -0.13 -2.34 0.08 0.00 -1.45 0.00 0.00 41.25 37.40 1s40 s ASN 136 CO 0.21 -0.99 0.02 0.00 -3.72 0.00 0.00 177.10 172.62 1s40 s ALA 137 N 3.05 2.83 0.76 1.71 0.00 -1.25 0.20 121.76 129.07 1s40 s ALA 137 Ca 0.20 -2.11 -0.10 0.00 0.00 0.00 0.00 51.96 49.96 1s40 s ALA 137 Cb -0.17 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.09 1s40 s ALA 137 CO 0.15 -1.46 1.10 0.96 0.00 0.00 0.00 175.76 176.51 1s40 s ILE 138 N 1.10 2.16 0.03 0.00 -4.36 -0.04 -4.11 121.20 115.98 1s40 s ILE 138 Ca 0.01 -0.11 0.06 0.00 -0.26 0.00 0.00 60.65 60.35 1s40 s ILE 138 Cb -0.20 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.46 1s40 s ILE 138 CO -0.05 -0.02 -0.17 -0.69 0.24 0.00 0.00 174.94 174.26 1s40 s VAL 139 N -3.43 2.88 0.00 8.37 1.01 -0.93 -1.51 120.40 126.80 1s40 s VAL 139 Ca 0.61 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1s40 s VAL 139 Cb -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1s40 s VAL 139 CO 0.47 0.38 0.00 0.54 0.00 0.00 0.00 175.10 176.49 1s40 n ARG 140 N 1.65 1.87 -1.17 2.72 1.74 -0.15 -4.83 116.66 118.49 1s40 n ARG 140 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1s40 n ARG 140 Cb 0.52 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 1s40 n ARG 140 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s40 n GLU 141 N -1.53 2.36 -2.66 5.56 1.02 -1.25 -4.92 120.64 119.22 1s40 n GLU 141 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1s40 n GLU 141 Cb 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.66 1s40 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s40 s GLU 143 N 0.58 3.45 0.75 0.00 0.41 -1.15 -4.73 118.70 118.00 1s40 s GLU 143 Ca 0.24 -0.63 -0.11 0.00 -0.41 0.00 0.00 54.97 54.06 1s40 s GLU 143 Cb 0.17 -2.72 0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1s40 s GLU 143 CO -0.09 0.25 1.08 -1.25 -0.49 0.00 0.00 175.26 174.75 1s40 s PRO 144 N 0.30 2.49 -0.42 0.39 0.04 -1.26 -1.81 135.00 134.73 1s40 s PRO 144 Ca -0.08 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.01 1s40 s PRO 144 Cb -0.15 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.62 1s40 s PRO 144 CO 0.05 -1.43 0.49 0.08 0.04 0.00 0.00 177.00 176.23 1s40 s VAL 145 N -2.99 -0.48 0.00 -0.36 1.01 0.47 -4.78 120.40 113.27 1s40 s VAL 145 Ca 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1s40 s VAL 145 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1s40 s VAL 145 CO 0.55 -0.47 0.00 -0.81 0.00 0.00 0.00 175.10 174.38 1s40 n PRO 146 N 3.75 0.00 0.00 2.72 -0.04 -1.26 -4.49 135.00 135.68 1s40 n PRO 146 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1s40 n PRO 146 Cb 0.50 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.12 0.00 0.95 0.54 -0.00 -1.26 -4.78 115.22 110.55 1s40 n HIS 147 Ca 0.00 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.31 1s40 n HIS 147 Cb 0.00 0.00 0.41 0.00 -0.12 0.00 0.00 29.99 30.28 1s40 n HIS 147 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1s40 n SER 148 N -1.06 0.31 0.00 0.26 3.41 -1.26 -3.80 113.62 111.48 1s40 n SER 148 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1s40 n SER 148 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1s40 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 n GLN 149 N -1.58 3.44 -0.24 4.33 6.02 -1.26 -4.71 117.38 123.39 1s40 n GLN 149 Ca 0.06 -0.22 0.01 0.00 -0.01 0.00 0.00 57.00 56.84 1s40 n GLN 149 Cb 0.35 -0.71 0.13 0.00 1.02 0.00 0.00 30.24 31.02 1s40 n GLN 149 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1s40 h ILE 150 N 0.01 0.85 0.00 5.09 2.10 -1.87 0.19 117.51 123.88 1s40 h ILE 150 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1s40 h ILE 150 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 35.95 1s40 h ILE 150 CO 0.00 0.11 0.00 -0.24 -1.08 0.00 0.00 178.15 176.94 1s40 n SER 151 N -4.87 0.00 -0.00 2.19 2.88 -1.26 -1.56 113.62 110.99 1s40 n SER 151 Ca 0.10 -1.72 0.03 0.00 -1.33 0.00 0.00 58.87 55.95 1s40 n SER 151 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1s40 n SER 151 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1s40 n SER 152 N -0.61 1.18 -0.06 -3.46 7.64 0.60 -4.68 113.62 114.23 1s40 n SER 152 Ca 0.05 -0.46 -0.07 0.00 1.01 0.00 0.00 58.87 59.40 1s40 n SER 152 Cb 0.02 1.07 -0.06 0.00 -1.01 0.00 0.00 64.21 64.23 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1s40 n ILE 153 N -1.28 0.65 -3.86 0.44 5.41 -0.69 -4.99 119.36 115.05 1s40 n ILE 153 Ca 0.00 -0.27 -0.36 0.00 1.00 0.00 0.00 62.75 63.12 1s40 n ILE 153 Cb 0.10 -0.89 -0.07 0.00 -0.71 0.00 0.00 39.64 38.08 1s40 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s40 s ALA 154 N -2.23 3.78 1.26 -1.39 0.00 -0.60 -5.09 121.76 117.49 1s40 s ALA 154 Ca -0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 1s40 s ALA 154 Cb 0.04 -2.01 0.23 0.00 0.00 0.00 0.00 23.12 21.38 1s40 s ALA 154 CO 0.28 0.47 0.52 0.43 0.00 0.00 0.00 175.76 177.46 1s40 n SER 155 N 2.49 -3.29 -4.36 0.00 7.64 -1.26 -4.62 113.62 110.22 1s40 n SER 155 Ca -0.19 -0.52 -0.29 0.00 1.01 0.00 0.00 58.87 58.88 1s40 n SER 155 Cb 0.54 -0.61 0.20 0.00 -1.01 0.00 0.00 64.21 63.33 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 -4.15 -0.25 0.00 1.43 0.04 -1.26 -3.68 135.00 127.13 1s40 s PRO 156 Ca 0.40 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1s40 s PRO 156 Cb -0.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1s40 s PRO 156 CO 0.34 -3.13 0.00 0.45 0.04 0.00 0.00 177.00 174.69 1s40 n SER 157 N -4.41 0.00 -0.10 6.66 2.88 -1.26 -4.44 113.62 112.94 1s40 n SER 157 Ca 0.08 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 57.87 1s40 n SER 157 Cb 0.58 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.76 1s40 n SER 157 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1s40 h GLN 158 N 0.00 0.00 -0.67 -1.46 4.20 -1.92 0.20 115.11 115.46 1s40 h GLN 158 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1s40 h GLN 158 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1s40 h GLN 158 CO 0.00 0.00 0.35 0.00 -0.67 0.00 0.00 178.83 178.51 1s40 h GLU 160 N 0.94 0.94 0.11 0.00 4.11 -0.97 -1.88 114.58 117.81 1s40 h GLU 160 Ca 0.24 -0.43 -0.00 0.00 0.07 0.00 0.00 59.36 59.24 1s40 h GLU 160 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s40 h GLU 160 CO -0.04 1.09 -0.07 0.45 0.07 0.00 0.00 179.01 180.51 1s40 h HIS 161 N 0.79 -0.18 -0.74 2.06 3.86 -1.27 -2.24 115.15 117.43 1s40 h HIS 161 Ca 0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1s40 h HIS 161 Cb 0.85 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.35 1s40 h HIS 161 CO 0.05 -0.11 0.47 -0.07 0.86 0.00 0.00 177.93 179.13 1s40 h LEU 162 N -0.18 0.86 -1.02 2.43 3.38 -1.32 -1.77 115.31 117.69 1s40 h LEU 162 Ca -0.01 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1s40 h LEU 162 Cb 0.15 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1s40 h LEU 162 CO 0.01 0.65 0.63 0.03 0.09 0.00 0.00 178.44 179.84 1s40 h ARG 163 N 1.01 0.97 0.00 1.13 3.08 -0.75 0.20 114.38 120.02 1s40 h ARG 163 Ca 0.27 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 1s40 h ARG 163 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 1s40 h ARG 163 CO -0.05 0.65 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.12 1s40 h LEU 164 N 1.00 0.00 -0.14 3.04 3.38 -0.94 -3.04 115.31 118.62 1s40 h LEU 164 Ca 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.33 1s40 h LEU 164 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1s40 h LEU 164 CO -0.25 0.30 -0.41 0.15 0.09 0.00 0.00 178.44 178.32 1s40 h PHE 165 N 0.00 0.68 0.02 1.13 3.57 -0.40 -1.24 116.94 120.70 1s40 h PHE 165 Ca -0.00 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.25 1s40 h PHE 165 Cb 0.72 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1s40 h PHE 165 CO 0.00 1.02 -0.17 1.88 -2.23 0.00 0.00 178.31 178.82 1s40 h TYR 166 N 0.15 -0.44 -0.37 0.41 0.05 -1.24 0.93 116.97 116.46 1s40 h TYR 166 Ca -0.01 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1s40 h TYR 166 Cb 1.03 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1s40 h TYR 166 CO 0.10 -0.24 0.06 -0.56 -1.05 0.00 0.00 178.16 176.47 1s40 h GLN 167 N -0.29 0.60 0.00 4.88 3.07 -1.60 0.44 115.11 122.22 1s40 h GLN 167 Ca 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 58.65 58.58 1s40 h GLN 167 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1s40 h GLN 167 CO -0.14 0.67 -0.23 0.00 0.09 0.00 0.00 178.83 179.21 1s40 h ARG 168 N 0.45 0.00 0.08 0.06 3.08 -0.90 -2.86 114.38 114.29 1s40 h ARG 168 Ca 0.11 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.94 1s40 h ARG 168 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1s40 h ARG 168 CO 0.01 0.23 -1.14 0.00 -1.07 0.00 0.00 179.97 178.00 1s40 h ALA 169 N 1.77 0.15 0.00 0.04 0.00 0.13 -2.75 119.26 118.60 1s40 h ALA 169 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1s40 h ALA 169 Cb 0.52 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1s40 h ALA 169 CO 0.03 0.65 0.16 0.74 0.00 0.00 0.00 179.25 180.83 1s40 h PHE 170 N -0.54 0.00 0.02 0.00 0.04 -0.06 0.57 116.94 116.97 1s40 h PHE 170 Ca -0.26 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.12 1s40 h PHE 170 Cb 1.56 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.65 1s40 h PHE 170 CO 0.15 0.00 -2.26 1.63 -0.60 0.00 0.00 178.31 177.22 1s40 n LYS 171 N -2.74 0.64 0.16 1.51 4.76 -1.08 -4.44 118.16 116.97 1s40 n LYS 171 Ca -0.02 0.26 0.06 0.00 -2.87 0.00 0.00 58.31 55.74 1s40 n LYS 171 Cb 0.21 -1.57 0.07 0.00 -1.84 0.00 0.00 35.03 31.89 1s40 n LYS 171 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1s40 h ARG 172 N -0.40 0.00 0.21 1.97 2.43 -1.11 -3.35 114.38 114.13 1s40 h ARG 172 Ca -0.56 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1s40 h ARG 172 Cb 1.77 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.28 1s40 h ARG 172 CO -0.17 0.27 -0.37 0.82 -1.51 0.00 0.00 179.97 179.01 1s40 h ILE 173 N 0.00 0.24 0.00 1.20 2.04 -0.09 -3.47 117.51 117.43 1s40 h ILE 173 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1s40 h ILE 173 Cb 1.24 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1s40 h ILE 173 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.80 1s40 n GLY 174 N -1.45 2.66 0.45 5.37 0.00 -1.26 -4.57 105.19 106.39 1s40 n GLY 174 Ca -0.08 -0.13 0.27 0.00 0.00 0.00 0.00 46.02 46.08 1s40 n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s40 h GLU 175 N 0.00 0.10 0.15 1.61 5.08 -1.83 0.71 114.58 120.39 1s40 h GLU 175 Ca 0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1s40 h GLU 175 Cb 0.00 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.25 1s40 h GLU 175 CO 0.00 0.06 -1.28 0.77 -1.00 0.00 0.00 179.01 177.56 1s40 h SER 176 N 0.10 0.72 -0.60 1.42 0.02 -1.99 -3.25 113.55 109.99 1s40 h SER 176 Ca 0.45 -0.71 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1s40 h SER 176 Cb 1.64 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 1s40 h SER 176 CO -0.06 1.54 0.40 0.00 -1.14 0.00 0.00 176.83 177.57 1s40 h ALA 177 N 0.37 1.96 -0.75 3.77 0.00 -1.19 -1.32 119.26 122.11 1s40 h ALA 177 Ca -0.18 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1s40 h ALA 177 Cb 1.97 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 1s40 h ALA 177 CO 0.23 -0.09 0.40 0.82 0.00 0.00 0.00 179.25 180.62 1s40 h ILE 178 N 0.45 0.89 -0.19 0.00 1.08 -1.51 -0.90 117.51 117.34 1s40 h ILE 178 Ca 0.27 -0.24 -0.10 0.00 -0.39 0.00 0.00 64.86 64.40 1s40 h ILE 178 Cb 0.47 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1s40 h ILE 178 CO -0.08 0.13 -0.34 0.77 -0.69 0.00 0.00 178.15 177.94 1s40 h SER 179 N 0.69 0.39 -0.68 1.72 4.64 -1.39 0.63 113.55 119.55 1s40 h SER 179 Ca 0.36 -0.15 0.14 0.00 -0.47 0.00 0.00 61.79 61.66 1s40 h SER 179 Cb 0.34 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 1s40 h SER 179 CO -0.25 0.71 0.46 0.03 -0.87 0.00 0.00 176.83 176.92 1s40 h ARG 180 N 0.33 0.35 -0.34 4.77 2.47 -0.96 -2.43 114.38 118.56 1s40 h ARG 180 Ca 0.04 -0.02 -0.26 0.00 -1.26 0.00 0.00 59.98 58.48 1s40 h ARG 180 Cb 0.76 -0.08 -0.36 0.00 -1.65 0.00 0.00 29.97 28.64 1s40 h ARG 180 CO 0.06 0.23 -0.96 0.66 0.56 0.00 0.00 179.97 180.51 1s40 n TYR 181 N -4.46 1.12 -0.19 3.04 4.02 -1.02 -4.91 117.16 114.76 1s40 n TYR 181 Ca 0.13 -1.68 -0.07 0.00 -0.01 0.00 0.00 57.90 56.26 1s40 n TYR 181 Cb 0.50 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1s40 n TYR 181 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1s40 h PHE 182 N 1.94 -1.08 0.53 -0.72 3.57 0.79 1.33 116.94 123.29 1s40 h PHE 182 Ca -0.04 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1s40 h PHE 182 Cb 1.45 0.55 0.01 0.00 2.79 0.00 0.00 35.95 40.74 1s40 h PHE 182 CO 0.53 -0.40 -0.25 0.93 -2.23 0.00 0.00 178.31 176.88 1s40 h GLU 183 N -0.21 -0.69 -0.33 1.11 5.08 -1.85 -2.18 114.58 115.51 1s40 h GLU 183 Ca 0.20 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.70 1s40 h GLU 183 Cb 0.56 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1s40 h GLU 183 CO -0.66 -0.38 0.40 0.93 -1.00 0.00 0.00 179.01 178.30 1s40 h GLU 184 N -0.96 0.00 0.02 2.33 4.39 -1.76 -1.37 114.58 117.23 1s40 h GLU 184 Ca -0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1s40 h GLU 184 Cb 0.62 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1s40 h GLU 184 CO 0.12 0.00 -0.41 1.88 -1.16 0.00 0.00 179.01 179.44 1s40 h TYR 185 N 0.00 0.37 0.00 4.33 0.05 0.21 -3.18 116.97 118.76 1s40 h TYR 185 Ca 0.16 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1s40 h TYR 185 Cb 0.95 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1s40 h TYR 185 CO 0.00 1.06 0.00 2.89 -1.05 0.00 0.00 178.16 181.06 1s40 n ARG 186 N -4.38 0.08 0.00 4.88 1.85 -0.55 -4.61 116.66 113.93 1s40 n ARG 186 Ca -0.11 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1s40 n ARG 186 Cb 0.60 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.39 0.00 -0.04 2.89 0.63 -1.01 -1.42 116.66 116.32 1s40 n ARG 187 Ca 0.04 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.93 1s40 n ARG 187 Cb 0.11 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.01 1s40 n ARG 187 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1s40 n PHE 188 N 0.00 0.11 -2.95 -0.14 7.35 -1.26 -4.97 117.46 115.60 1s40 n PHE 188 Ca 0.00 0.05 -0.33 0.00 -0.76 0.00 0.00 57.45 56.41 1s40 n PHE 188 Cb 0.00 -0.31 -0.07 0.00 0.35 0.00 0.00 39.48 39.45 1s40 n PHE 188 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1s40 s PHE 189 N -1.85 3.33 0.89 -5.13 -0.12 -0.51 -5.05 117.98 109.55 1s40 s PHE 189 Ca -0.12 1.45 -0.12 0.00 -0.05 0.00 0.00 56.93 58.09 1s40 s PHE 189 Cb 0.02 -2.72 0.13 0.00 -0.63 0.00 0.00 43.02 39.81 1s40 s PHE 189 CO 0.18 -0.03 1.11 -1.25 -0.05 0.00 0.00 175.22 175.19 1s40 s PRO 190 N -3.10 1.30 0.00 1.99 0.04 -1.26 -4.26 135.00 129.71 1s40 s PRO 190 Ca 0.59 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1s40 s PRO 190 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1s40 s PRO 190 CO 0.15 -2.13 0.20 0.44 0.04 0.00 0.00 177.00 175.69