#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 -3.64 -2.30 1.97 2.81 -1.26 -4.66 117.12 110.03 1s40 n MET 6 Ca 0.00 -1.07 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 1s40 n MET 6 Cb 0.00 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 30.66 1s40 n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s40 n ALA 7 N -5.28 -1.88 -1.00 3.04 0.00 -1.26 -4.92 120.51 109.21 1s40 n ALA 7 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1s40 n ALA 7 Cb 0.54 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1s40 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s40 n ARG 8 N 1.88 0.00 0.00 0.00 3.00 -1.26 -4.98 116.66 115.30 1s40 n ARG 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1s40 n ARG 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1s40 n ARG 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1s40 n LYS 9 N 0.00 3.17 -3.52 5.56 -0.00 -1.26 -5.02 118.16 117.08 1s40 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1s40 n LYS 9 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 1s40 n LYS 9 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1s40 s ASP 10 N 1.00 -0.98 1.03 -5.58 1.47 -1.26 -5.12 116.67 107.23 1s40 s ASP 10 Ca 0.00 1.25 -0.04 0.00 1.18 0.00 0.00 52.55 54.94 1s40 s ASP 10 Cb 0.00 2.08 0.06 0.00 -0.34 0.00 0.00 42.92 44.72 1s40 s ASP 10 CO 0.00 -0.19 0.28 -0.81 0.68 0.00 0.00 175.17 175.13 1s40 n PRO 11 N 5.31 -1.02 -4.57 2.11 -0.04 -1.26 -4.92 135.00 130.61 1s40 n PRO 11 Ca -0.10 -0.44 -0.25 0.00 -0.04 0.00 0.00 63.50 62.66 1s40 n PRO 11 Cb 0.50 -0.36 -0.17 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.56 1.19 0.00 0.52 2.01 -1.26 -3.84 115.64 112.70 1s40 s THR 12 Ca 0.17 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1s40 s THR 12 Cb -0.01 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1s40 s THR 12 CO 0.13 0.37 0.00 2.30 -0.69 0.00 0.00 174.62 176.73 1s40 n ILE 13 N 3.89 0.00 -3.69 1.82 -6.64 -1.10 -5.00 119.36 108.64 1s40 n ILE 13 Ca -0.22 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.72 1s40 n ILE 13 Cb 0.52 0.00 0.02 0.00 -1.44 0.00 0.00 39.64 38.73 1s40 n ILE 13 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1s40 n GLU 14 N 0.00 0.60 0.06 6.28 1.02 -1.26 -4.42 120.64 122.92 1s40 n GLU 14 Ca 0.00 -1.26 0.19 0.00 -0.02 0.00 0.00 57.16 56.07 1s40 n GLU 14 Cb 0.00 1.65 0.50 0.00 -0.02 0.00 0.00 31.44 33.57 1s40 n GLU 14 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1s40 h PHE 15 N 1.70 0.00 0.00 -0.32 0.04 -1.92 0.84 116.94 117.28 1s40 h PHE 15 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1s40 h PHE 15 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1s40 h PHE 15 CO 0.00 0.00 -0.82 0.00 -0.60 0.00 0.00 178.31 176.89 1s40 n GLN 17 N -1.43 1.78 0.00 0.00 1.13 0.28 -5.00 117.38 114.14 1s40 n GLN 17 Ca 0.02 -2.76 0.00 0.00 -1.94 0.00 0.00 57.00 52.32 1s40 n GLN 17 Cb 0.25 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1s40 n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1s40 n LEU 18 N -1.14 0.00 0.00 1.08 7.99 -0.55 -4.16 117.00 120.22 1s40 n LEU 18 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1s40 n LEU 18 Cb 0.74 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.05 1s40 n LEU 18 CO 0.06 -0.35 0.00 0.61 -1.51 0.00 0.00 177.39 176.20 1s40 n GLY 19 N 0.00 0.00 2.62 -0.72 0.00 -1.26 -4.93 105.19 100.90 1s40 n GLY 19 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.67 0.99 -0.00 -1.26 -5.01 117.00 108.05 1s40 n LEU 20 Ca 0.00 -0.29 -0.06 0.00 -0.00 0.00 0.00 56.01 55.66 1s40 n LEU 20 Cb 0.00 -0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 42.79 1s40 n LEU 20 CO 0.00 -2.20 0.67 -0.62 -0.00 0.00 0.00 177.39 175.24 1s40 s ASP 21 N -1.73 -0.26 0.00 1.96 -1.08 -1.26 -4.98 116.67 109.32 1s40 s ASP 21 Ca 0.22 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 1s40 s ASP 21 Cb -0.04 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.90 1s40 s ASP 21 CO 0.19 -0.86 0.27 0.41 0.52 0.00 0.00 175.17 175.70 1s40 n THR 22 N -0.40 0.00 0.53 1.71 -1.04 -1.26 -1.23 114.28 112.60 1s40 n THR 22 Ca -0.07 0.77 0.05 0.00 -2.04 0.00 0.00 64.05 62.75 1s40 n THR 22 Cb 0.61 -1.32 0.28 0.00 -1.82 0.00 0.00 70.33 68.08 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 -0.50 0.00 0.00 -1.42 7.35 -1.26 -4.30 117.46 117.33 1s40 n PHE 23 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s40 n PHE 23 Cb 0.00 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 39.60 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 -1.23 1.45 0.00 -4.13 0.00 -0.37 -4.99 120.64 111.37 1s40 n GLU 24 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1s40 n GLU 24 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.51 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 -0.48 0.00 -3.16 6.31 -1.04 -1.26 -4.49 114.28 110.17 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 -4.76 -2.82 2.85 -0.85 -4.99 118.16 107.58 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 -2.47 1.72 0.10 5.58 2.02 -1.26 -1.80 117.35 121.23 1s40 s TYR 27 Ca 0.00 -0.62 -0.08 0.00 -0.37 0.00 0.00 57.07 56.00 1s40 s TYR 27 Cb 0.00 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1s40 s TYR 27 CO 0.00 -0.27 0.19 0.96 -1.57 0.00 0.00 175.55 174.86 1s40 s ILE 28 N 0.45 0.13 -0.26 2.71 -4.36 -0.34 -4.89 121.20 114.64 1s40 s ILE 28 Ca -0.13 -1.29 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 1s40 s ILE 28 Cb -0.15 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 1s40 s ILE 28 CO 0.04 -0.59 0.17 -0.89 0.24 0.00 0.00 174.94 173.91 1s40 s THR 29 N -3.90 5.30 -0.04 8.37 2.01 -1.25 0.14 115.64 126.28 1s40 s THR 29 Ca 0.08 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.31 1s40 s THR 29 Cb 0.05 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1s40 s THR 29 CO -0.08 0.31 -0.22 -0.04 -0.69 0.00 0.00 174.62 173.89 1s40 s MET 30 N 1.36 2.15 0.17 4.92 -1.94 -0.18 -2.72 119.30 123.07 1s40 s MET 30 Ca 0.07 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 1s40 s MET 30 Cb -0.15 -1.89 0.04 0.00 2.01 0.00 0.00 34.83 34.84 1s40 s MET 30 CO 0.07 0.37 0.24 1.19 -0.01 0.00 0.00 175.02 176.88 1s40 n PHE 31 N 2.90 -3.43 0.00 -0.03 3.01 -1.26 -3.32 117.46 115.32 1s40 n PHE 31 Ca -0.17 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 57.92 1s40 n PHE 31 Cb 0.52 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1s40 n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s40 n GLY 32 N 3.24 3.28 3.44 1.37 0.00 -1.25 -4.86 105.19 110.42 1s40 n GLY 32 Ca 0.04 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.28 3.63 0.17 1.61 1.75 0.53 -2.75 119.30 121.96 1s40 s MET 33 Ca 0.00 -0.51 -0.33 0.00 -1.25 0.00 0.00 55.69 53.60 1s40 s MET 33 Cb 0.00 -3.15 -0.14 0.00 2.84 0.00 0.00 34.83 34.37 1s40 s MET 33 CO 0.00 -0.05 1.47 -0.11 -0.65 0.00 0.00 175.02 175.68 1s40 n LEU 34 N 4.46 2.78 -0.02 4.11 0.00 -1.09 0.14 117.00 127.37 1s40 n LEU 34 Ca -0.17 1.11 -0.03 0.00 0.00 0.00 0.00 56.01 56.92 1s40 n LEU 34 Cb 0.52 -1.38 -0.04 0.00 0.00 0.00 0.00 43.42 42.52 1s40 n LEU 34 CO 0.31 -0.52 -0.66 0.52 0.00 0.00 0.00 177.39 177.04 1s40 n VAL 35 N 2.73 0.32 -3.48 1.96 0.31 0.74 -4.22 118.33 116.70 1s40 n VAL 35 Ca 0.16 -0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1s40 n VAL 35 Cb 0.28 -0.86 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 1s40 n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s40 s SER 36 N -3.69 -0.48 -0.17 4.52 1.04 -1.15 -2.07 113.70 111.69 1s40 s SER 36 Ca -0.03 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 1s40 s SER 36 Cb 0.01 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1s40 s SER 36 CO 0.18 -0.93 0.38 0.00 0.98 0.00 0.00 173.24 173.85 1s40 s SER 38 N 1.98 2.86 -0.05 0.00 0.15 -0.04 -4.93 113.70 113.68 1s40 s SER 38 Ca -0.05 -0.47 0.20 0.00 0.70 0.00 0.00 55.95 56.33 1s40 s SER 38 Cb -0.10 -0.69 0.64 0.00 -1.71 0.00 0.00 66.02 64.16 1s40 s SER 38 CO -0.12 0.24 1.54 0.49 1.20 0.00 0.00 173.24 176.60 1s40 n PHE 39 N 2.88 1.12 -0.02 3.44 3.72 -1.26 0.11 117.46 127.44 1s40 n PHE 39 Ca -0.17 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.52 1s40 n PHE 39 Cb 0.52 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.84 1s40 n PHE 39 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1s40 h ASP 40 N 3.92 0.23 -1.52 4.37 1.82 -1.95 -3.45 116.42 119.84 1s40 h ASP 40 Ca 0.00 -0.79 -0.71 0.00 -0.39 0.00 0.00 57.03 55.14 1s40 h ASP 40 Cb 1.15 -0.07 0.05 0.00 0.68 0.00 0.00 39.33 41.14 1s40 h ASP 40 CO 0.09 0.99 0.47 0.29 -1.61 0.00 0.00 179.24 179.47 1s40 n LYS 41 N -4.49 0.92 0.20 0.28 4.76 -1.25 -4.82 118.16 113.75 1s40 n LYS 41 Ca -0.10 0.33 0.07 0.00 -2.87 0.00 0.00 58.31 55.74 1s40 n LYS 41 Cb 0.52 -1.95 0.38 0.00 -1.84 0.00 0.00 35.03 32.13 1s40 n LYS 41 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1s40 h PRO 42 N 4.76 0.00 -0.00 1.97 0.13 -1.98 -3.00 132.00 133.88 1s40 h PRO 42 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s40 h PRO 42 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1s40 h PRO 42 CO 0.79 0.33 -0.18 0.00 -0.23 0.00 0.00 178.00 178.71 1s40 n ALA 43 N -2.28 2.86 0.00 -0.56 0.00 -1.26 -5.00 120.51 114.26 1s40 n ALA 43 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1s40 n ALA 43 Cb 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.21 0.00 -3.67 0.00 1.16 -1.13 -4.67 117.46 107.94 1s40 n PHE 44 Ca 0.10 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.30 1s40 n PHE 44 Cb 0.31 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.07 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 3.94 -0.67 1.97 1.09 -1.26 -3.89 121.20 119.38 1s40 s ILE 45 Ca 0.00 -1.46 -0.34 0.00 -1.10 0.00 0.00 60.65 57.75 1s40 s ILE 45 Cb 0.00 -3.42 -0.18 0.00 -1.06 0.00 0.00 42.46 37.80 1s40 s ILE 45 CO 0.00 -0.46 2.16 -1.20 -0.10 0.00 0.00 174.94 175.34 1s40 n SER 46 N 4.83 0.47 -4.60 3.58 7.64 0.12 -4.47 113.62 121.19 1s40 n SER 46 Ca -0.09 0.39 -0.34 0.00 1.01 0.00 0.00 58.87 59.83 1s40 n SER 46 Cb 0.43 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 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 6.69 3.05 -0.21 1.43 0.40 -0.96 -0.86 117.98 127.52 1s40 s PHE 47 Ca 1.14 -0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 57.43 1s40 s PHE 47 Cb -1.24 -1.82 0.07 0.00 0.51 0.00 0.00 43.02 40.54 1s40 s PHE 47 CO 0.52 0.27 0.07 0.08 0.70 0.00 0.00 175.22 176.85 1s40 s VAL 48 N -0.45 0.26 0.80 -0.44 1.01 -1.04 0.46 120.40 121.00 1s40 s VAL 48 Ca 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1s40 s VAL 48 Cb -0.12 -0.92 0.16 0.00 0.00 0.00 0.00 36.38 35.50 1s40 s VAL 48 CO 0.02 -0.34 1.10 -0.36 0.00 0.00 0.00 175.10 175.52 1s40 s PHE 49 N 1.97 1.34 0.22 5.22 0.08 -0.91 -0.19 117.98 125.72 1s40 s PHE 49 Ca 0.02 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.84 1s40 s PHE 49 Cb -0.17 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 1s40 s PHE 49 CO -0.14 -2.07 0.20 -1.12 -0.10 0.00 0.00 175.22 172.00 1s40 s SER 50 N -4.83 0.28 0.00 1.36 0.01 0.37 -2.38 113.70 108.51 1s40 s SER 50 Ca 0.70 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1s40 s SER 50 Cb -0.04 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1s40 s SER 50 CO 0.47 -0.92 0.00 -0.67 0.41 0.00 0.00 173.24 172.53 1s40 n ASP 51 N -0.44 0.00 0.00 2.44 2.03 -1.26 0.20 116.55 119.51 1s40 n ASP 51 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1s40 n ASP 51 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1s40 n ASP 51 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1s40 n PHE 52 N 0.00 0.00 -0.08 -0.67 1.16 -1.26 -4.82 117.46 111.78 1s40 n PHE 52 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.53 1s40 n PHE 52 Cb 0.00 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 37.92 1s40 n PHE 52 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1s40 n THR 53 N -1.16 0.00 -3.93 1.97 -2.24 -1.26 -5.00 114.28 102.66 1s40 n THR 53 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1s40 n THR 53 Cb 0.13 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.74 1.64 0.57 -0.78 3.01 -1.26 -4.71 119.74 115.46 1s40 s LYS 54 Ca 0.12 -0.73 -0.21 0.00 -1.01 0.00 0.00 55.97 54.14 1s40 s LYS 54 Cb -0.02 -2.28 -0.05 0.00 -1.01 0.00 0.00 37.83 34.47 1s40 s LYS 54 CO 0.10 -0.48 1.25 -1.71 0.51 0.00 0.00 175.35 175.02 1s40 n ASN 55 N 4.77 2.10 -0.00 2.83 2.85 0.83 -2.86 115.26 125.78 1s40 n ASN 55 Ca -0.13 0.92 0.02 0.00 -0.11 0.00 0.00 54.58 55.28 1s40 n ASN 55 Cb 0.46 -1.52 -0.03 0.00 1.24 0.00 0.00 39.78 39.94 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1s40 n ASP 56 N -1.01 3.05 -4.92 1.20 -0.08 -1.02 -4.91 116.55 108.85 1s40 n ASP 56 Ca 0.12 -0.16 -0.26 0.00 -1.51 0.00 0.00 54.79 52.97 1s40 n ASP 56 Cb 0.45 1.12 0.04 0.00 2.34 0.00 0.00 41.12 45.07 1s40 n ASP 56 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1s40 s ILE 57 N -1.99 3.22 -0.02 5.18 1.01 -1.26 -5.00 121.20 122.34 1s40 s ILE 57 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 60.65 60.69 1s40 s ILE 57 Cb 0.02 -3.31 -0.22 0.00 0.01 0.00 0.00 42.46 38.96 1s40 s ILE 57 CO 0.15 -0.32 0.77 1.62 0.00 0.00 0.00 174.94 177.15 1s40 h VAL 58 N -0.31 0.97 0.00 2.92 3.04 -1.93 -3.49 116.25 117.44 1s40 h VAL 58 Ca -0.45 -2.78 0.00 0.00 -1.01 0.00 0.00 66.70 62.46 1s40 h VAL 58 Cb 1.27 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.02 1s40 h VAL 58 CO 0.60 0.55 0.00 1.67 -1.01 0.00 0.00 177.57 179.38 1s40 n GLN 59 N -3.09 0.00 0.00 4.17 7.27 -1.26 -4.84 117.38 119.63 1s40 n GLN 59 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1s40 n GLN 59 Cb 1.02 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.67 1s40 n GLN 59 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1s40 n ASN 60 N -3.47 0.00 -4.76 1.69 4.13 -1.26 -4.50 115.26 107.09 1s40 n ASN 60 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.90 1s40 n ASN 60 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1s40 n ASN 60 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1s40 s TYR 61 N 3.03 3.47 0.00 3.10 5.04 -1.26 -5.00 117.35 125.73 1s40 s TYR 61 Ca 0.00 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1s40 s TYR 61 Cb 0.00 -2.19 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1s40 s TYR 61 CO 0.00 0.36 0.20 1.28 -1.34 0.00 0.00 175.55 176.05 1s40 n LEU 62 N 3.22 1.50 0.00 6.97 4.77 -1.26 -4.96 117.00 127.24 1s40 n LEU 62 Ca -0.15 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1s40 n LEU 62 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1s40 n LEU 62 CO 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 1s40 n TYR 63 N -0.45 -0.71 -3.98 -1.77 4.19 -1.26 -4.86 117.16 108.32 1s40 n TYR 63 Ca 0.00 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.93 1s40 n TYR 63 Cb 0.00 0.11 -0.08 0.00 0.49 0.00 0.00 39.34 39.87 1s40 n TYR 63 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1s40 n ASP 64 N -1.44 0.08 0.00 2.98 5.68 -1.26 -4.39 116.55 118.21 1s40 n ASP 64 Ca 0.00 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1s40 n ASP 64 Cb 0.00 -1.30 0.00 0.00 -1.14 0.00 0.00 41.12 38.68 1s40 n ASP 64 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1s40 n ARG 65 N -3.76 0.00 -2.85 0.11 0.63 -1.26 -4.49 116.66 105.03 1s40 n ARG 65 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1s40 n ARG 65 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1s40 n ARG 65 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1s40 n TYR 66 N -1.23 0.00 0.00 -0.14 4.01 -1.26 -4.56 117.16 113.97 1s40 n TYR 66 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1s40 n TYR 66 Cb 0.00 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 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 1.85 0.00 0.00 7.72 0.00 -1.26 -4.76 117.00 120.54 1s40 n LEU 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1s40 n LEU 67 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.63 1s40 n LEU 67 CO 0.00 0.00 0.23 -0.38 0.00 0.00 0.00 177.39 177.24 1s40 n ILE 68 N 0.00 0.00 -0.89 1.96 5.41 -1.26 -4.52 119.36 120.06 1s40 n ILE 68 Ca 0.00 0.83 -0.34 0.00 1.00 0.00 0.00 62.75 64.24 1s40 n ILE 68 Cb 0.00 -1.20 -0.04 0.00 -0.71 0.00 0.00 39.64 37.69 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 -1.33 -0.28 -0.45 4.38 9.92 -1.26 -4.76 116.55 122.75 1s40 n ASP 69 Ca 0.00 0.70 0.05 0.00 -0.53 0.00 0.00 54.79 55.01 1s40 n ASP 69 Cb 0.00 -0.57 0.15 0.00 -0.64 0.00 0.00 41.12 40.06 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 0.58 0.31 -0.11 1.24 4.02 -1.26 -4.00 117.16 117.94 1s40 n TYR 70 Ca 0.12 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.90 57.66 1s40 n TYR 70 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.21 0.54 -3.94 -0.72 4.07 -1.26 -5.00 120.64 114.53 1s40 n GLU 71 Ca 0.09 0.23 -0.21 0.00 -0.06 0.00 0.00 57.16 57.21 1s40 n GLU 71 Cb 0.22 -1.42 -0.02 0.00 -0.06 0.00 0.00 31.44 30.15 1s40 n GLU 71 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1s40 s ASN 72 N -6.70 6.03 -0.31 4.31 -0.87 -1.26 -5.10 114.94 111.05 1s40 s ASN 72 Ca -0.33 -0.07 0.06 0.00 -1.57 0.00 0.00 52.86 50.95 1s40 s ASN 72 Cb 0.09 -1.63 0.20 0.00 -0.02 0.00 0.00 41.25 39.89 1s40 s ASN 72 CO 0.44 -0.12 0.60 -1.59 -2.57 0.00 0.00 177.10 173.86 1s40 s LYS 73 N -3.97 0.60 0.98 -0.60 -2.85 -1.26 -4.56 119.74 108.08 1s40 s LYS 73 Ca 0.35 0.42 -0.15 0.00 -1.00 0.00 0.00 55.97 55.60 1s40 s LYS 73 Cb -0.09 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.89 1s40 s LYS 73 CO 0.28 -1.07 -0.03 1.47 0.10 0.00 0.00 175.35 176.10 1s40 n LEU 74 N 5.27 -2.09 -5.04 2.77 -0.00 -1.26 -4.88 117.00 111.76 1s40 n LEU 74 Ca 0.06 0.24 -0.20 0.00 -0.00 0.00 0.00 56.01 56.11 1s40 n LEU 74 Cb 0.54 -1.04 0.07 0.00 -0.00 0.00 0.00 43.42 43.00 1s40 n LEU 74 CO -0.05 -4.22 0.39 -1.83 -0.00 0.00 0.00 177.39 171.68 1s40 s GLU 75 N -3.12 2.17 0.27 1.47 -1.05 -1.26 -4.79 118.70 112.40 1s40 s GLU 75 Ca 0.51 -1.66 0.17 0.00 -0.15 0.00 0.00 54.97 53.85 1s40 s GLU 75 Cb -0.18 -2.61 0.92 0.00 -0.44 0.00 0.00 34.13 31.82 1s40 s GLU 75 CO 0.72 -1.00 1.50 1.28 0.95 0.00 0.00 175.26 178.71 1s40 n LEU 76 N -2.35 0.44 0.00 1.83 7.99 -1.26 -0.78 117.00 122.87 1s40 n LEU 76 Ca 0.17 0.69 0.07 0.00 -0.01 0.00 0.00 56.01 56.92 1s40 n LEU 76 Cb 0.62 -0.73 0.36 0.00 -0.11 0.00 0.00 43.42 43.56 1s40 n LEU 76 CO 0.40 -0.84 0.69 -3.20 -1.51 0.00 0.00 177.39 172.93 1s40 n ASN 77 N -2.10 0.00 0.00 -1.43 5.15 -1.26 -4.34 115.26 111.27 1s40 n ASN 77 Ca -0.01 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1s40 n ASN 77 Cb 0.08 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 1s40 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1s40 n GLU 78 N -1.28 0.00 -0.79 1.20 1.02 0.04 -0.12 120.64 120.71 1s40 n GLU 78 Ca 0.07 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 1s40 n GLU 78 Cb 0.11 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.77 1s40 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s40 n GLY 79 N 3.94 -2.99 3.41 0.62 0.00 -1.26 -4.57 105.19 104.34 1s40 n GLY 79 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.63 -0.03 -0.32 1.61 -0.71 -1.00 -4.77 117.98 110.13 1s40 s PHE 80 Ca 0.63 -0.31 -0.19 0.00 -1.04 0.00 0.00 56.93 56.02 1s40 s PHE 80 Cb -0.07 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1s40 s PHE 80 CO 0.49 -0.80 0.55 0.21 -1.34 0.00 0.00 175.22 174.34 1s40 s LYS 81 N -3.87 3.81 0.12 1.99 2.20 -1.26 -2.13 119.74 120.59 1s40 s LYS 81 Ca 0.09 0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 1s40 s LYS 81 Cb 0.01 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1s40 s LYS 81 CO -0.05 -0.56 -0.16 0.00 -0.36 0.00 0.00 175.35 174.22 1s40 s ALA 82 N 2.46 2.76 0.12 3.13 0.00 0.17 -4.49 121.76 125.90 1s40 s ALA 82 Ca 0.21 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1s40 s ALA 82 Cb -0.15 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1s40 s ALA 82 CO 0.12 0.60 0.12 0.96 0.00 0.00 0.00 175.76 177.56 1s40 s ILE 83 N -1.20 0.12 -0.15 0.00 -4.36 -1.06 -2.26 121.20 112.29 1s40 s ILE 83 Ca 0.19 -1.62 -0.30 0.00 -0.26 0.00 0.00 60.65 58.66 1s40 s ILE 83 Cb -0.11 -1.75 0.13 0.00 1.25 0.00 0.00 42.46 41.98 1s40 s ILE 83 CO 0.11 -0.56 0.99 0.00 0.24 0.00 0.00 174.94 175.73 1s40 s MET 84 N -3.97 0.60 0.01 0.37 0.23 -1.26 0.12 119.30 115.40 1s40 s MET 84 Ca 0.15 0.11 -0.39 0.00 -1.03 0.00 0.00 55.69 54.54 1s40 s MET 84 Cb 0.06 0.28 -0.18 0.00 -1.53 0.00 0.00 34.83 33.46 1s40 s MET 84 CO -0.03 -0.19 1.23 0.98 -2.03 0.00 0.00 175.02 174.97 1s40 n TYR 85 N 0.65 1.11 -0.27 3.16 4.19 -1.26 -4.58 117.16 120.16 1s40 n TYR 85 Ca -0.10 0.86 0.08 0.00 3.31 0.00 0.00 57.90 62.05 1s40 n TYR 85 Cb 0.58 -2.21 0.21 0.00 0.49 0.00 0.00 39.34 38.41 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 3.88 0.25 -0.97 2.98 1.57 -1.96 0.48 116.57 122.81 1s40 h LYS 86 Ca -0.49 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1s40 h LYS 86 Cb 1.38 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.55 1s40 h LYS 86 CO 0.73 0.17 0.59 -0.97 -0.57 0.00 0.00 179.45 179.40 1s40 h ASN 87 N 0.26 0.85 1.03 0.86 -0.73 -2.00 1.05 115.58 116.90 1s40 h ASN 87 Ca 0.46 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.65 1s40 h ASN 87 Cb 0.83 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.31 1s40 h ASN 87 CO -0.55 0.43 -0.18 1.56 -0.37 0.00 0.00 177.43 178.32 1s40 h GLN 88 N 0.91 0.00 0.13 6.67 7.50 -0.46 -3.04 115.11 126.82 1s40 h GLN 88 Ca 0.49 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 59.42 1s40 h GLN 88 Cb 0.54 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.10 1s40 h GLN 88 CO -0.29 0.18 -0.94 0.35 -1.50 0.00 0.00 178.83 176.63 1s40 h PHE 89 N 0.00 0.71 -0.99 2.96 3.04 0.30 -3.25 116.94 119.71 1s40 h PHE 89 Ca -0.00 -0.47 0.15 0.00 3.98 0.00 0.00 57.97 61.62 1s40 h PHE 89 Cb 0.74 -0.04 -0.09 0.00 2.56 0.00 0.00 35.95 39.11 1s40 h PHE 89 CO 0.00 1.34 0.61 0.93 -2.02 0.00 0.00 178.31 179.17 1s40 h GLU 90 N -0.13 0.86 -0.99 1.11 5.08 0.28 0.15 114.58 120.93 1s40 h GLU 90 Ca -0.15 -0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1s40 h GLU 90 Cb 1.70 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.66 1s40 h GLU 90 CO 0.18 0.57 0.61 1.15 -1.00 0.00 0.00 179.01 180.51 1s40 h THR 91 N 0.88 0.80 0.00 1.13 2.02 -1.57 0.42 112.91 116.60 1s40 h THR 91 Ca 0.52 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 1s40 h THR 91 Cb 0.65 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1s40 h THR 91 CO -0.31 0.16 -0.24 0.15 0.37 0.00 0.00 175.52 175.64 1s40 h PHE 92 N 0.86 0.00 0.07 3.16 3.57 -0.80 -2.89 116.94 120.91 1s40 h PHE 92 Ca 0.53 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.03 1s40 h PHE 92 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1s40 h PHE 92 CO -0.01 0.24 -0.04 0.22 -2.23 0.00 0.00 178.31 176.50 1s40 h ASP 93 N 0.00 -0.08 -1.00 0.41 1.82 0.49 -1.73 116.42 116.32 1s40 h ASP 93 Ca -0.00 -0.42 0.20 0.00 -0.39 0.00 0.00 57.03 56.42 1s40 h ASP 93 Cb 0.95 0.02 -0.11 0.00 0.68 0.00 0.00 39.33 40.87 1s40 h ASP 93 CO 0.03 0.58 0.61 0.28 -1.61 0.00 0.00 179.24 179.13 1s40 h SER 94 N -0.96 0.75 0.42 2.28 0.02 -0.85 0.93 113.55 116.15 1s40 h SER 94 Ca -0.01 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1s40 h SER 94 Cb 0.50 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1s40 h SER 94 CO 0.02 0.24 -0.20 0.11 -1.14 0.00 0.00 176.83 175.86 1s40 h LYS 95 N 0.72 -0.54 -0.78 3.45 1.57 -1.54 -2.36 116.57 117.10 1s40 h LYS 95 Ca 0.59 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.45 1s40 h LYS 95 Cb 0.97 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 1s40 h LYS 95 CO -0.38 -0.36 0.51 -0.07 -0.57 0.00 0.00 179.45 178.58 1s40 h LEU 96 N -0.57 0.78 -1.88 2.94 3.38 0.31 -0.53 115.31 119.73 1s40 h LEU 96 Ca -0.06 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1s40 h LEU 96 Cb 0.44 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1s40 h LEU 96 CO 0.09 0.52 0.52 0.03 0.09 0.00 0.00 178.44 179.69 1s40 h ARG 97 N 0.89 0.00 0.00 1.13 3.08 0.13 1.05 114.38 120.67 1s40 h ARG 97 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1s40 h ARG 97 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1s40 h ARG 97 CO -0.10 0.00 -0.01 0.87 -1.07 0.00 0.00 179.97 179.66 1s40 h LYS 98 N 0.00 0.00 -0.00 0.04 1.79 -1.05 2.14 116.57 119.49 1s40 h LYS 98 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1s40 h LYS 98 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1s40 h LYS 98 CO -0.00 0.00 -0.68 -0.89 -1.08 0.00 0.00 179.45 176.80 1s40 n ILE 99 N -2.42 0.00 -0.59 1.86 5.41 0.34 -4.49 119.36 119.46 1s40 n ILE 99 Ca 0.05 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1s40 n ILE 99 Cb 0.45 1.02 0.00 0.00 -0.71 0.00 0.00 39.64 40.40 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 -1.21 0.00 -0.89 1.39 3.72 0.31 -4.99 117.46 115.79 1s40 n PHE 100 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1s40 n PHE 100 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.04 -5.28 -2.98 4.37 2.85 0.72 -4.86 115.26 110.05 1s40 n ASN 101 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 1s40 n ASN 101 Cb 0.15 -3.18 -0.02 0.00 1.24 0.00 0.00 39.78 37.97 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 -0.58 -1.59 -4.98 1.20 2.04 -1.21 -4.98 115.26 105.16 1s40 n ASN 102 Ca 0.00 -2.86 -0.20 0.00 -0.44 0.00 0.00 54.58 51.08 1s40 n ASN 102 Cb 0.44 2.86 0.01 0.00 -2.53 0.00 0.00 39.78 40.56 1s40 n ASN 102 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1s40 s GLY 103 N -3.18 1.66 0.47 4.83 0.00 -1.26 -3.44 107.32 106.39 1s40 s GLY 103 Ca 0.27 -1.38 0.24 0.00 0.00 0.00 0.00 44.72 43.85 1s40 s GLY 103 CO 0.19 -1.24 1.86 1.41 0.00 0.00 0.00 173.10 175.32 1s40 h LEU 104 N 0.65 0.24 -1.16 0.66 4.07 -1.97 0.29 115.31 118.09 1s40 h LEU 104 Ca -0.45 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.54 1s40 h LEU 104 Cb 1.26 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.95 1s40 h LEU 104 CO 0.53 0.08 0.48 0.08 -1.08 0.00 0.00 178.44 178.52 1s40 h ARG 105 N 0.23 1.05 0.00 1.13 0.11 -1.93 -1.03 114.38 113.94 1s40 h ARG 105 Ca 0.47 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 60.42 1s40 h ARG 105 Cb 1.47 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 1s40 h ARG 105 CO -0.12 0.73 -0.21 0.22 0.10 0.00 0.00 179.97 180.69 1s40 h ASP 106 N 1.07 0.00 -0.44 0.08 1.82 -0.78 -3.00 116.42 115.17 1s40 h ASP 106 Ca 0.28 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.95 1s40 h ASP 106 Cb -0.06 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 1s40 h ASP 106 CO -0.05 0.21 0.23 -0.07 -1.61 0.00 0.00 179.24 177.94 1s40 h LEU 107 N 0.00 0.34 -9.17 2.28 3.38 -0.96 -3.41 115.31 107.77 1s40 h LEU 107 Ca -0.00 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 57.32 1s40 h LEU 107 Cb 0.65 -0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.19 1s40 h LEU 107 CO 0.03 0.24 -0.63 0.00 0.09 0.00 0.00 178.44 178.17 1s40 s GLN 108 N -6.15 3.16 0.00 1.13 -2.07 -1.13 -4.96 119.66 109.64 1s40 s GLN 108 Ca -0.13 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 1s40 s GLN 108 Cb 0.12 -2.83 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 1s40 s GLN 108 CO 0.73 0.58 0.47 -1.71 -1.32 0.00 0.00 175.29 174.04 1s40 n ASN 109 N 2.50 0.00 0.00 12.60 2.85 -1.26 -4.88 115.26 127.07 1s40 n ASN 109 Ca -0.18 -1.19 0.00 0.00 -0.11 0.00 0.00 54.58 53.10 1s40 n ASN 109 Cb 0.53 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s40 n GLY 110 N 0.00 0.49 0.00 8.20 0.00 -1.26 -5.14 105.19 107.48 1s40 n GLY 110 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1s40 n GLY 110 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s40 n ARG 111 N 0.00 0.00 -1.82 1.61 -4.01 -1.26 -5.05 116.66 106.12 1s40 n ARG 111 Ca 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1s40 n ARG 111 Cb 0.00 0.00 0.02 0.00 -3.04 0.00 0.00 32.46 29.44 1s40 n ARG 111 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1s40 n ASP 112 N 0.00 0.40 -0.85 2.89 9.92 -1.26 -5.14 116.55 122.51 1s40 n ASP 112 Ca 0.00 -2.03 0.01 0.00 -0.53 0.00 0.00 54.79 52.24 1s40 n ASP 112 Cb 0.00 -0.09 -0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1s40 n ASP 112 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1s40 n GLU 113 N -0.10 -0.11 -3.08 -1.24 4.71 -1.26 -4.93 120.64 114.63 1s40 n GLU 113 Ca -0.04 0.08 -0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1s40 n GLU 113 Cb 0.94 -0.14 -0.00 0.00 -1.01 0.00 0.00 31.44 31.23 1s40 n GLU 113 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1s40 n ASN 114 N -3.22 -6.72 0.00 1.62 5.15 -1.26 -4.92 115.26 105.91 1s40 n ASN 114 Ca 0.00 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1s40 n ASN 114 Cb 0.03 -2.23 0.00 0.00 -0.53 0.00 0.00 39.78 37.04 1s40 n ASN 114 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1s40 n LEU 115 N 1.46 0.61 -3.76 1.20 4.77 -0.88 -4.91 117.00 115.50 1s40 n LEU 115 Ca -0.02 0.49 -0.24 0.00 -0.03 0.00 0.00 56.01 56.22 1s40 n LEU 115 Cb 0.35 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1s40 n LEU 115 CO 0.08 -0.13 -0.21 -1.20 -1.33 0.00 0.00 177.39 174.60 1s40 n SER 116 N -0.88 -5.00 0.00 -1.43 7.64 -1.23 -4.93 113.62 107.78 1s40 n SER 116 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1s40 n SER 116 Cb 0.00 -1.89 0.00 0.00 -1.01 0.00 0.00 64.21 61.31 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s40 n GLN 117 N -2.66 0.00 0.00 1.43 6.02 -1.26 -4.74 117.38 116.17 1s40 n GLN 117 Ca -0.30 0.12 0.07 0.00 -0.01 0.00 0.00 57.00 56.89 1s40 n GLN 117 Cb 0.68 -0.53 0.05 0.00 1.02 0.00 0.00 30.24 31.46 1s40 n GLN 117 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1s40 n TYR 118 N -2.01 0.00 0.00 1.08 9.36 -1.26 -4.38 117.16 119.95 1s40 n TYR 118 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1s40 n TYR 118 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1s40 n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s40 n GLY 119 N 0.87 3.28 3.61 2.98 0.00 -1.26 -4.80 105.19 109.87 1s40 n GLY 119 Ca 0.08 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -3.70 -1.43 -0.61 5.41 -1.26 -2.67 119.36 115.10 1s40 n ILE 120 Ca 0.00 -0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.13 1s40 n ILE 120 Cb 0.00 -4.05 -0.02 0.00 -0.71 0.00 0.00 39.64 34.86 1s40 n ILE 120 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1s40 n VAL 121 N -4.70 1.78 -3.65 1.39 0.31 -1.22 -4.08 118.33 108.15 1s40 n VAL 121 Ca -0.08 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 1s40 n VAL 121 Cb 0.59 -0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.16 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 1.33 3.39 -0.23 0.00 -2.85 -0.98 -3.76 119.74 116.63 1s40 s LYS 123 Ca -0.08 -0.31 -0.28 0.00 -1.00 0.00 0.00 55.97 54.30 1s40 s LYS 123 Cb -0.06 -2.60 0.15 0.00 -2.06 0.00 0.00 37.83 33.26 1s40 s LYS 123 CO -0.14 0.00 1.14 0.00 0.10 0.00 0.00 175.35 176.45 1s40 s MET 124 N -4.42 0.39 -0.35 1.78 0.23 -1.21 -2.78 119.30 112.95 1s40 s MET 124 Ca 0.43 0.22 -0.19 0.00 -1.03 0.00 0.00 55.69 55.12 1s40 s MET 124 Cb -0.10 0.19 -0.00 0.00 -1.53 0.00 0.00 34.83 33.39 1s40 s MET 124 CO 0.37 -0.10 0.55 1.21 -2.03 0.00 0.00 175.02 175.02 1s40 s ASN 125 N -0.61 6.35 -0.08 -1.18 3.84 -1.26 -1.01 114.94 121.00 1s40 s ASN 125 Ca 0.03 0.06 -0.01 0.00 0.21 0.00 0.00 52.86 53.15 1s40 s ASN 125 Cb -0.02 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.36 1s40 s ASN 125 CO -0.05 -0.50 -0.03 -0.63 -2.79 0.00 0.00 177.10 173.11 1s40 s ILE 126 N 2.47 4.02 -0.52 -5.21 1.01 0.38 0.20 121.20 123.55 1s40 s ILE 126 Ca 0.20 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 1s40 s ILE 126 Cb -0.15 -2.67 0.08 0.00 0.01 0.00 0.00 42.46 39.73 1s40 s ILE 126 CO 0.13 0.60 0.55 -0.54 0.00 0.00 0.00 174.94 175.68 1s40 s LYS 127 N -0.80 3.04 -0.11 2.79 1.02 -1.04 -1.20 119.74 123.44 1s40 s LYS 127 Ca 0.12 -1.25 -0.08 0.00 0.02 0.00 0.00 55.97 54.78 1s40 s LYS 127 Cb -0.11 -4.17 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 1s40 s LYS 127 CO 0.02 -1.24 0.17 0.14 -0.92 0.00 0.00 175.35 173.53 1s40 s VAL 128 N 2.16 5.44 0.22 3.17 -7.23 -0.75 -2.94 120.40 120.47 1s40 s VAL 128 Ca 0.09 0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1s40 s VAL 128 Cb -0.23 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1s40 s VAL 128 CO 0.08 0.60 0.21 -1.59 -0.31 0.00 0.00 175.10 174.08 1s40 s LYS 129 N -0.89 1.31 -0.09 4.82 -2.85 -1.10 -2.01 119.74 118.93 1s40 s LYS 129 Ca 0.15 -1.59 -0.15 0.00 -1.00 0.00 0.00 55.97 53.38 1s40 s LYS 129 Cb -0.12 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1s40 s LYS 129 CO 0.05 -0.46 0.39 -1.64 0.10 0.00 0.00 175.35 173.79 1s40 s MET 130 N -4.07 4.14 -1.02 1.78 -1.94 -1.26 -1.00 119.30 115.94 1s40 s MET 130 Ca 0.36 0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 54.63 1s40 s MET 130 Cb 0.05 -3.35 0.31 0.00 2.01 0.00 0.00 34.83 33.85 1s40 s MET 130 CO 0.13 0.39 1.51 0.98 -0.01 0.00 0.00 175.02 178.02 1s40 n TYR 131 N 2.95 2.54 -0.93 -0.03 4.19 -0.13 -4.66 117.16 121.09 1s40 n TYR 131 Ca -0.11 -2.73 0.00 0.00 3.31 0.00 0.00 57.90 58.37 1s40 n TYR 131 Cb 0.52 -1.16 0.00 0.00 0.49 0.00 0.00 39.34 39.19 1s40 n TYR 131 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1s40 n ASN 132 N 0.83 -3.79 0.00 2.98 3.02 -1.26 -3.17 115.26 113.88 1s40 n ASN 132 Ca 0.32 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1s40 n ASN 132 Cb 0.32 -2.21 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s40 n GLY 133 N -0.82 0.06 0.00 7.41 0.00 -1.26 -5.15 105.19 105.44 1s40 n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s40 n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s40 n LYS 134 N 0.00 3.81 -4.13 1.61 5.02 -1.19 -4.78 118.16 118.50 1s40 n LYS 134 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1s40 n LYS 134 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 1s40 n LYS 134 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1s40 s LEU 135 N 0.00 1.27 -0.39 -0.35 2.96 -1.26 -0.96 118.68 119.95 1s40 s LEU 135 Ca 0.00 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1s40 s LEU 135 Cb 0.00 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.24 1s40 s LEU 135 CO 0.00 -0.07 0.52 0.21 -1.32 0.00 0.00 176.35 175.69 1s40 s ASN 136 N 1.02 6.28 -0.31 3.68 3.04 -0.17 -4.48 114.94 124.00 1s40 s ASN 136 Ca -0.09 -0.27 -0.10 0.00 0.04 0.00 0.00 52.86 52.44 1s40 s ASN 136 Cb -0.14 -2.27 -0.01 0.00 -1.54 0.00 0.00 41.25 37.29 1s40 s ASN 136 CO -0.00 -0.57 0.15 0.00 -3.04 0.00 0.00 177.10 173.64 1s40 s ALA 137 N 2.41 3.30 0.50 1.71 0.00 -1.26 -2.72 121.76 125.70 1s40 s ALA 137 Ca 0.18 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1s40 s ALA 137 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1s40 s ALA 137 CO 0.15 -0.85 0.14 0.44 0.00 0.00 0.00 175.76 175.63 1s40 n ILE 138 N 4.99 0.00 -4.26 0.00 -5.35 -1.15 -2.56 119.36 111.04 1s40 n ILE 138 Ca -0.14 -2.21 -0.20 0.00 -0.27 0.00 0.00 62.75 59.93 1s40 n ILE 138 Cb 0.50 0.28 -0.16 0.00 -1.74 0.00 0.00 39.64 38.52 1s40 n ILE 138 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1s40 s VAL 139 N -2.69 0.63 -0.09 7.28 1.01 0.31 -2.49 120.40 124.37 1s40 s VAL 139 Ca 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 61.98 62.00 1s40 s VAL 139 Cb -0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 36.38 35.52 1s40 s VAL 139 CO 0.07 0.23 0.49 -1.14 0.00 0.00 0.00 175.10 174.75 1s40 n ARG 140 N 3.75 0.65 -0.26 2.72 0.63 0.52 -4.68 116.66 119.99 1s40 n ARG 140 Ca -0.23 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1s40 n ARG 140 Cb 0.52 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.99 2.04 0.00 -0.14 -0.00 -1.25 -4.94 120.64 113.37 1s40 n GLU 141 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 1s40 n GLU 141 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.52 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 0.00 0.28 0.56 0.00 2.56 -1.12 -4.67 118.70 116.31 1s40 s GLU 143 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 54.97 54.92 1s40 s GLU 143 Cb 0.00 -0.57 -0.05 0.00 2.00 0.00 0.00 34.13 35.51 1s40 s GLU 143 CO 0.00 -0.20 1.13 -1.25 -0.56 0.00 0.00 175.26 174.37 1s40 s PRO 144 N 1.41 3.26 -0.16 4.30 0.04 -1.26 -2.31 135.00 140.28 1s40 s PRO 144 Ca -0.04 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 1s40 s PRO 144 Cb -0.13 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1s40 s PRO 144 CO -0.03 -0.92 -0.01 0.08 0.04 0.00 0.00 177.00 176.16 1s40 s VAL 145 N -1.85 0.81 0.00 -0.36 1.01 0.66 -4.87 120.40 115.79 1s40 s VAL 145 Ca 0.72 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1s40 s VAL 145 Cb -0.23 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1s40 s VAL 145 CO 0.29 0.03 0.00 -0.81 0.00 0.00 0.00 175.10 174.61 1s40 n PRO 146 N 4.97 1.21 0.00 2.72 -0.04 -1.26 -3.41 135.00 139.18 1s40 n PRO 146 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1s40 n PRO 146 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.24 0.00 0.05 0.54 -0.00 -1.26 -4.31 115.22 110.01 1s40 n HIS 147 Ca 0.00 -0.17 0.05 0.00 0.46 0.00 0.00 57.72 58.07 1s40 n HIS 147 Cb 0.00 -0.02 -0.08 0.00 -0.12 0.00 0.00 29.99 29.77 1s40 n HIS 147 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s40 n SER 148 N -0.17 2.26 0.00 0.26 2.88 -1.26 -4.57 113.62 113.02 1s40 n SER 148 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1s40 n SER 148 Cb 0.15 1.45 0.00 0.00 -0.75 0.00 0.00 64.21 65.06 1s40 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s40 n GLN 149 N -1.81 0.19 -0.20 -1.46 6.02 -1.26 -4.74 117.38 114.12 1s40 n GLN 149 Ca -0.02 -0.79 0.01 0.00 -0.01 0.00 0.00 57.00 56.19 1s40 n GLN 149 Cb 0.27 -0.99 0.11 0.00 1.02 0.00 0.00 30.24 30.66 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 0.04 0.68 0.00 5.09 2.10 -1.81 -2.62 117.51 120.99 1s40 h ILE 150 Ca 0.00 -0.10 -0.49 0.00 1.08 0.00 0.00 64.86 65.35 1s40 h ILE 150 Cb 0.16 0.35 0.01 0.00 -1.09 0.00 0.00 36.82 36.25 1s40 h ILE 150 CO 0.00 0.06 2.66 -1.20 -1.08 0.00 0.00 178.15 178.58 1s40 n SER 151 N -5.09 6.88 0.00 2.19 7.64 -1.26 -1.60 113.62 122.39 1s40 n SER 151 Ca 0.09 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1s40 n SER 151 Cb 0.31 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1s40 n SER 151 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s40 n SER 152 N 3.52 0.00 0.00 6.43 3.41 -1.00 -4.90 113.62 121.08 1s40 n SER 152 Ca 0.61 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1s40 n SER 152 Cb 0.32 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.15 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s40 n ILE 153 N -1.06 0.57 -0.66 -1.33 5.41 -1.14 -4.13 119.36 117.03 1s40 n ILE 153 Ca 0.00 -0.61 0.09 0.00 1.00 0.00 0.00 62.75 63.23 1s40 n ILE 153 Cb 0.00 -0.28 0.36 0.00 -0.71 0.00 0.00 39.64 39.01 1s40 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s40 n ALA 154 N -2.35 3.15 -1.37 -1.39 0.00 -0.62 -5.06 120.51 112.85 1s40 n ALA 154 Ca -0.09 -1.66 0.16 0.00 0.00 0.00 0.00 53.44 51.85 1s40 n ALA 154 Cb 0.72 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 1s40 n ALA 154 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s40 n SER 155 N 0.98 -7.22 -2.32 0.00 7.64 -1.26 -3.42 113.62 108.03 1s40 n SER 155 Ca 0.26 1.30 -0.14 0.00 1.01 0.00 0.00 58.87 61.30 1s40 n SER 155 Cb 0.92 -4.68 -0.11 0.00 -1.01 0.00 0.00 64.21 59.32 1s40 n SER 155 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1s40 n PRO 156 N -4.24 1.85 0.04 1.43 -0.04 -1.26 -3.92 135.00 128.86 1s40 n PRO 156 Ca -0.08 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1s40 n PRO 156 Cb 0.63 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1s40 n PRO 156 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s40 n SER 157 N 2.85 -0.39 0.11 3.54 3.41 -1.25 -4.89 113.62 117.00 1s40 n SER 157 Ca 0.40 0.13 0.16 0.00 -0.26 0.00 0.00 58.87 59.30 1s40 n SER 157 Cb 0.63 0.57 0.71 0.00 -0.26 0.00 0.00 64.21 65.85 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 0.00 -0.96 4.33 4.20 -1.68 -1.04 115.11 119.95 1s40 h GLN 158 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1s40 h GLN 158 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1s40 h GLN 158 CO 0.00 0.00 0.63 0.00 -0.67 0.00 0.00 178.83 178.79 1s40 h GLU 160 N 1.20 -0.76 -0.78 0.00 5.08 -1.52 1.33 114.58 119.14 1s40 h GLU 160 Ca 0.39 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.95 1s40 h GLU 160 Cb 0.03 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1s40 h GLU 160 CO -0.12 -0.50 0.52 0.45 -1.00 0.00 0.00 179.01 178.35 1s40 h HIS 161 N -0.80 0.53 0.01 4.33 3.86 -1.55 0.47 115.15 122.00 1s40 h HIS 161 Ca -0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1s40 h HIS 161 Cb 0.61 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.92 1s40 h HIS 161 CO -0.03 0.20 -0.26 -0.07 0.86 0.00 0.00 177.93 178.63 1s40 h LEU 162 N 0.45 0.20 -0.15 2.43 3.38 -0.58 -2.77 115.31 118.27 1s40 h LEU 162 Ca 0.39 -0.83 0.04 0.00 0.09 0.00 0.00 57.88 57.57 1s40 h LEU 162 Cb 0.86 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1s40 h LEU 162 CO -0.13 1.01 -0.13 0.03 0.09 0.00 0.00 178.44 179.31 1s40 h ARG 163 N -0.58 -0.13 -0.29 1.13 3.08 0.27 -0.68 114.38 117.18 1s40 h ARG 163 Ca -0.04 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1s40 h ARG 163 Cb 1.06 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1s40 h ARG 163 CO 0.05 -0.09 0.20 -0.07 -1.07 0.00 0.00 179.97 178.99 1s40 h LEU 164 N -0.14 0.32 -0.92 3.04 3.38 -1.05 -1.59 115.31 118.36 1s40 h LEU 164 Ca 0.10 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1s40 h LEU 164 Cb 0.28 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1s40 h LEU 164 CO -0.24 0.23 0.60 0.15 0.09 0.00 0.00 178.44 179.28 1s40 h PHE 165 N 0.38 1.14 -0.37 1.13 3.57 -0.83 -2.21 116.94 119.75 1s40 h PHE 165 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1s40 h PHE 165 Cb -0.02 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.31 1s40 h PHE 165 CO -0.00 0.70 0.23 1.88 -2.23 0.00 0.00 178.31 178.89 1s40 h TYR 166 N 1.22 0.43 -0.77 0.41 0.05 -0.87 0.29 116.97 117.72 1s40 h TYR 166 Ca 0.35 0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.24 1s40 h TYR 166 Cb -0.10 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 37.43 1s40 h TYR 166 CO -0.01 0.26 0.40 1.96 -1.05 0.00 0.00 178.16 179.72 1s40 h GLN 167 N 0.46 0.65 -0.02 4.88 1.08 -1.32 0.35 115.11 121.18 1s40 h GLN 167 Ca 0.14 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.14 1s40 h GLN 167 Cb -0.01 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1s40 h GLN 167 CO -0.06 0.43 -0.65 0.00 -0.95 0.00 0.00 178.83 177.60 1s40 h ARG 168 N 0.67 0.47 0.00 1.46 3.08 -1.05 -3.22 114.38 115.78 1s40 h ARG 168 Ca 0.38 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1s40 h ARG 168 Cb 0.41 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1s40 h ARG 168 CO -0.28 1.13 -0.22 0.00 -1.07 0.00 0.00 179.97 179.53 1s40 h ALA 169 N 0.36 1.53 0.00 0.04 0.00 0.05 0.75 119.26 121.98 1s40 h ALA 169 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1s40 h ALA 169 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1s40 h ALA 169 CO 0.13 0.27 0.00 0.74 0.00 0.00 0.00 179.25 180.39 1s40 h PHE 170 N 0.00 0.00 0.00 0.00 0.04 -0.33 -0.84 116.94 115.81 1s40 h PHE 170 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s40 h PHE 170 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1s40 h PHE 170 CO 0.00 0.00 -0.86 1.63 -0.60 0.00 0.00 178.31 178.48 1s40 n LYS 171 N -2.96 1.96 0.02 1.51 4.76 -0.71 -4.74 118.16 118.00 1s40 n LYS 171 Ca -0.02 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 1s40 n LYS 171 Cb 0.14 -0.93 -0.14 0.00 -1.84 0.00 0.00 35.03 32.27 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 0.06 0.11 1.97 3.08 0.52 -3.37 114.38 116.76 1s40 h ARG 172 Ca 0.00 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1s40 h ARG 172 Cb 0.37 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1s40 h ARG 172 CO 0.00 0.78 -0.22 0.82 -1.07 0.00 0.00 179.97 180.28 1s40 h ILE 173 N 0.02 0.50 0.00 2.04 2.04 -1.32 -3.49 117.51 117.30 1s40 h ILE 173 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1s40 h ILE 173 Cb 1.95 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1s40 h ILE 173 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1s40 n GLY 174 N -1.35 3.06 0.50 5.37 0.00 -1.26 -4.70 105.19 106.81 1s40 n GLY 174 Ca -0.07 -0.93 0.28 0.00 0.00 0.00 0.00 46.02 45.30 1s40 n GLY 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s40 h GLU 175 N 0.00 0.00 0.33 1.61 4.11 -1.88 0.11 114.58 118.86 1s40 h GLU 175 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1s40 h GLU 175 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s40 h GLU 175 CO 0.00 0.00 -0.16 0.77 0.07 0.00 0.00 179.01 179.69 1s40 h SER 176 N 0.00 -0.38 -0.43 3.06 0.02 -2.00 -2.87 113.55 110.95 1s40 h SER 176 Ca 0.44 -0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 1s40 h SER 176 Cb 2.39 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 64.95 1s40 h SER 176 CO -0.00 -0.06 -0.08 0.00 -1.14 0.00 0.00 176.83 175.55 1s40 h ALA 177 N -0.17 0.32 -0.72 3.77 0.00 -1.05 0.14 119.26 121.54 1s40 h ALA 177 Ca -0.05 0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.21 1s40 h ALA 177 Cb 0.49 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1s40 h ALA 177 CO 0.08 -0.43 0.51 0.82 0.00 0.00 0.00 179.25 180.22 1s40 h ILE 178 N 0.03 0.69 -0.01 0.00 5.03 -1.52 0.20 117.51 121.93 1s40 h ILE 178 Ca 0.21 -0.05 -0.18 0.00 -0.12 0.00 0.00 64.86 64.72 1s40 h ILE 178 Cb 0.32 0.54 -0.01 0.00 -3.03 0.00 0.00 36.82 34.63 1s40 h ILE 178 CO -0.42 0.02 -0.79 0.28 -0.68 0.00 0.00 178.15 176.56 1s40 h SER 179 N 0.14 0.20 -0.07 1.72 0.02 -0.51 1.32 113.55 116.37 1s40 h SER 179 Ca 0.35 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1s40 h SER 179 Cb 1.19 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1s40 h SER 179 CO -0.05 0.91 -0.03 0.03 -1.14 0.00 0.00 176.83 176.55 1s40 h ARG 180 N 0.10 0.26 0.00 3.45 2.47 0.07 -2.79 114.38 117.93 1s40 h ARG 180 Ca -0.03 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 1s40 h ARG 180 Cb 1.39 -0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 29.53 1s40 h ARG 180 CO 0.12 0.31 -0.63 0.66 0.56 0.00 0.00 179.97 180.99 1s40 n TYR 181 N -4.36 0.00 -0.21 3.04 4.02 -1.06 -4.86 117.16 113.73 1s40 n TYR 181 Ca -0.00 -0.96 -0.02 0.00 -0.01 0.00 0.00 57.90 56.90 1s40 n TYR 181 Cb 0.20 -0.19 0.04 0.00 -0.02 0.00 0.00 39.34 39.37 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 0.79 -0.62 -0.32 -0.72 3.57 0.20 1.54 116.94 121.38 1s40 h PHE 182 Ca -0.08 0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1s40 h PHE 182 Cb 1.35 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.45 1s40 h PHE 182 CO 0.41 -0.34 -0.45 0.93 -2.23 0.00 0.00 178.31 176.63 1s40 h GLU 183 N -0.08 0.83 0.00 1.11 5.08 -1.84 -2.71 114.58 116.97 1s40 h GLU 183 Ca 0.28 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1s40 h GLU 183 Cb 0.52 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1s40 h GLU 183 CO -0.68 1.11 -0.20 0.93 -1.00 0.00 0.00 179.01 179.17 1s40 h GLU 184 N 0.66 0.00 0.20 2.33 5.08 -1.26 -3.12 114.58 118.47 1s40 h GLU 184 Ca 0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 1s40 h GLU 184 Cb 1.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.32 1s40 h GLU 184 CO 0.10 0.20 -1.31 -0.92 -1.00 0.00 0.00 179.01 176.08 1s40 h TYR 185 N 0.00 0.94 0.00 4.33 5.03 0.23 -3.21 116.97 124.29 1s40 h TYR 185 Ca -0.00 -0.65 0.00 0.00 2.58 0.00 0.00 58.73 60.66 1s40 h TYR 185 Cb 0.60 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1s40 h TYR 185 CO 0.00 1.50 0.00 2.89 -1.32 0.00 0.00 178.16 181.23 1s40 n ARG 186 N -3.81 0.14 -1.31 1.82 1.85 -1.04 -4.67 116.66 109.64 1s40 n ARG 186 Ca -0.15 0.18 -0.55 0.00 -1.00 0.00 0.00 57.85 56.32 1s40 n ARG 186 Cb 1.03 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.81 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 -1.36 0.02 -3.93 2.89 0.63 -1.20 0.80 116.66 114.52 1s40 n ARG 187 Ca 0.06 0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.70 1s40 n ARG 187 Cb 0.13 -1.52 0.02 0.00 0.45 0.00 0.00 32.46 31.54 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 8.24 -2.12 -3.65 -0.14 7.35 -1.26 -4.92 117.46 120.96 1s40 n PHE 188 Ca 0.57 0.87 -0.00 0.00 -0.76 0.00 0.00 57.45 58.13 1s40 n PHE 188 Cb -0.02 -3.88 -0.07 0.00 0.35 0.00 0.00 39.48 35.86 1s40 n PHE 188 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1s40 s PHE 189 N -3.41 -0.07 0.14 -5.13 5.36 0.24 -5.04 117.98 110.08 1s40 s PHE 189 Ca 0.52 0.16 -0.30 0.00 -0.96 0.00 0.00 56.93 56.35 1s40 s PHE 189 Cb -0.27 0.27 -0.07 0.00 -0.34 0.00 0.00 43.02 42.61 1s40 s PHE 189 CO 0.85 -0.03 1.11 -1.25 -1.46 0.00 0.00 175.22 174.43 1s40 s PRO 190 N 0.53 4.56 0.00 10.12 0.04 -1.26 -4.07 135.00 144.92 1s40 s PRO 190 Ca -0.00 1.71 0.31 0.00 0.04 0.00 0.00 61.00 63.06 1s40 s PRO 190 Cb -0.04 -3.30 1.74 0.00 0.04 0.00 0.00 34.50 32.94 1s40 s PRO 190 CO -0.13 0.00 2.14 -0.89 0.04 0.00 0.00 177.00 178.16