#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 0.00 -1.42 1.64 2.81 -1.26 -4.93 117.12 113.96 1s40 n MET 6 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1s40 n MET 6 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 -1.87 7.17 -0.61 3.04 0.00 -1.26 -4.94 120.51 122.05 1s40 n ALA 7 Ca 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1s40 n ALA 7 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.07 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 3.97 0.00 0.00 0.00 5.12 -1.26 -4.79 116.66 119.71 1s40 n ARG 8 Ca 0.73 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1s40 n ARG 8 Cb 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 1s40 n ARG 8 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1s40 n LYS 9 N -0.44 1.83 -3.64 5.56 4.81 -1.26 -5.01 118.16 120.00 1s40 n LYS 9 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1s40 n LYS 9 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 1s40 n LYS 9 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1s40 s ASP 10 N -1.00 3.60 0.71 3.14 -4.77 -1.26 -5.06 116.67 112.03 1s40 s ASP 10 Ca 0.00 -2.06 -0.01 0.00 -3.30 0.00 0.00 52.55 47.18 1s40 s ASP 10 Cb 0.00 -0.75 0.03 0.00 -1.09 0.00 0.00 42.92 41.11 1s40 s ASP 10 CO 0.00 -0.34 0.21 -0.81 0.70 0.00 0.00 175.17 174.92 1s40 n PRO 11 N 4.27 0.14 -4.30 2.11 -0.04 -1.26 -4.89 135.00 131.03 1s40 n PRO 11 Ca 0.04 -0.43 -0.16 0.00 -0.04 0.00 0.00 63.50 62.91 1s40 n PRO 11 Cb 0.38 -0.18 -0.10 0.00 -0.04 0.00 0.00 33.50 33.56 1s40 n PRO 11 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1s40 s THR 12 N -0.91 0.66 0.00 0.52 -1.32 -1.26 -2.39 115.64 110.93 1s40 s THR 12 Ca 0.13 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.61 1s40 s THR 12 Cb -0.01 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 1s40 s THR 12 CO 0.09 -0.16 0.00 2.30 -2.21 0.00 0.00 174.62 174.64 1s40 n ILE 13 N -0.41 0.00 -3.92 5.08 -6.64 -0.78 -4.85 119.36 107.84 1s40 n ILE 13 Ca -0.02 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.86 1s40 n ILE 13 Cb 0.65 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.83 1s40 n ILE 13 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 1s40 s GLU 14 N 1.55 1.87 0.57 6.28 -1.05 -1.26 -4.60 118.70 122.06 1s40 s GLU 14 Ca 0.00 -1.31 0.39 0.00 -0.15 0.00 0.00 54.97 53.90 1s40 s GLU 14 Cb 0.00 0.55 1.34 0.00 -0.44 0.00 0.00 34.13 35.58 1s40 s GLU 14 CO 0.00 -0.83 1.41 1.19 0.95 0.00 0.00 175.26 177.98 1s40 n PHE 15 N -0.48 0.00 -0.04 4.83 3.72 -1.26 0.19 117.46 124.42 1s40 n PHE 15 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1s40 n PHE 15 Cb 0.60 -0.38 -0.15 0.00 -0.94 0.00 0.00 39.48 38.61 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s40 n GLN 17 N -2.57 3.66 0.00 0.00 1.13 0.51 -4.79 117.38 115.31 1s40 n GLN 17 Ca -0.17 -3.09 0.00 0.00 -1.94 0.00 0.00 57.00 51.80 1s40 n GLN 17 Cb 0.86 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 -0.18 0.00 0.00 1.08 7.99 -0.54 -4.18 117.00 121.18 1s40 n LEU 18 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1s40 n LEU 18 Cb 1.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.61 1s40 n LEU 18 CO 0.38 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 1s40 n GLY 19 N 0.00 1.68 3.02 -0.72 0.00 -1.26 -4.93 105.19 102.98 1s40 n GLY 19 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1s40 n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s40 n LEU 20 N 0.00 -1.79 -3.61 0.99 -0.00 -1.26 -5.00 117.00 106.33 1s40 n LEU 20 Ca 0.00 -0.25 -0.04 0.00 -0.00 0.00 0.00 56.01 55.72 1s40 n LEU 20 Cb 0.00 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1s40 n LEU 20 CO 0.00 -2.97 0.85 -0.62 -0.00 0.00 0.00 177.39 174.65 1s40 s ASP 21 N -1.71 -0.20 0.57 1.96 2.15 -1.26 -4.90 116.67 113.27 1s40 s ASP 21 Ca 0.35 -0.12 0.27 0.00 0.43 0.00 0.00 52.55 53.48 1s40 s ASP 21 Cb -0.04 0.31 1.68 0.00 -0.30 0.00 0.00 42.92 44.56 1s40 s ASP 21 CO 0.38 -0.53 2.21 0.74 -0.17 0.00 0.00 175.17 177.81 1s40 h THR 22 N 2.00 0.62 -0.00 1.71 2.02 -1.96 0.10 112.91 117.40 1s40 h THR 22 Ca -0.21 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1s40 h THR 22 Cb 1.21 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1s40 h THR 22 CO 0.27 0.02 -0.80 0.33 0.37 0.00 0.00 175.52 175.72 1s40 n PHE 23 N -3.93 0.00 -1.01 3.16 7.35 -1.26 -4.84 117.46 116.93 1s40 n PHE 23 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1s40 n PHE 23 Cb 0.11 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.88 1s40 n PHE 23 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1s40 n GLU 24 N -1.26 1.75 0.00 -4.13 1.02 0.35 -5.10 120.64 113.27 1s40 n GLU 24 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1s40 n GLU 24 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1s40 n GLU 24 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1s40 n THR 25 N -0.16 0.00 -2.37 2.62 -1.04 -1.26 -4.61 114.28 107.46 1s40 n THR 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s40 n THR 25 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s40 n THR 25 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1s40 n LYS 26 N 0.00 0.00 -5.21 -2.82 2.85 -0.94 -4.97 118.16 107.07 1s40 n LYS 26 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 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 -1.19 2.52 -0.04 5.58 1.51 -1.26 -2.15 117.35 122.32 1s40 s TYR 27 Ca 0.00 -0.84 -0.14 0.00 -1.01 0.00 0.00 57.07 55.09 1s40 s TYR 27 Cb 0.00 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1s40 s TYR 27 CO 0.00 -0.29 0.30 0.96 -1.11 0.00 0.00 175.55 175.41 1s40 s ILE 28 N 0.06 0.05 0.04 2.71 -4.36 -0.77 -4.72 121.20 114.20 1s40 s ILE 28 Ca -0.10 -0.39 -0.11 0.00 -0.26 0.00 0.00 60.65 59.79 1s40 s ILE 28 Cb -0.16 -0.57 -0.06 0.00 1.25 0.00 0.00 42.46 42.93 1s40 s ILE 28 CO 0.06 -0.21 0.39 -0.89 0.24 0.00 0.00 174.94 174.53 1s40 s THR 29 N -1.00 5.09 -0.02 8.37 2.01 -1.00 -0.61 115.64 128.48 1s40 s THR 29 Ca -0.11 0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.46 1s40 s THR 29 Cb -0.05 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1s40 s THR 29 CO 0.03 0.40 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.29 1s40 s MET 30 N -1.60 0.41 0.43 4.92 -1.94 -0.14 -1.87 119.30 119.50 1s40 s MET 30 Ca 0.29 -0.06 0.07 0.00 -1.71 0.00 0.00 55.69 54.27 1s40 s MET 30 Cb -0.15 -0.46 0.01 0.00 2.01 0.00 0.00 34.83 36.24 1s40 s MET 30 CO 0.16 -0.02 0.59 -0.06 -0.01 0.00 0.00 175.02 175.68 1s40 s PHE 31 N 0.46 2.87 0.00 -0.03 0.08 -1.26 -2.77 117.98 117.33 1s40 s PHE 31 Ca -0.05 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1s40 s PHE 31 Cb -0.08 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1s40 s PHE 31 CO -0.01 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 1s40 n GLY 32 N -1.90 3.01 3.53 4.36 0.00 -1.24 -4.60 105.19 108.34 1s40 n GLY 32 Ca 0.07 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.13 3.83 0.09 1.61 1.75 0.22 -2.72 119.30 121.95 1s40 s MET 33 Ca 0.00 -0.39 -0.36 0.00 -1.25 0.00 0.00 55.69 53.69 1s40 s MET 33 Cb 0.00 -3.50 -0.18 0.00 2.84 0.00 0.00 34.83 33.99 1s40 s MET 33 CO 0.00 -0.17 1.13 -0.11 -0.65 0.00 0.00 175.02 175.22 1s40 n LEU 34 N 4.95 0.77 -0.06 4.11 0.00 -1.21 -0.88 117.00 124.67 1s40 n LEU 34 Ca -0.15 1.14 -0.06 0.00 0.00 0.00 0.00 56.01 56.94 1s40 n LEU 34 Cb 0.52 -1.08 -0.10 0.00 0.00 0.00 0.00 43.42 42.76 1s40 n LEU 34 CO 0.32 -1.59 -0.91 0.52 0.00 0.00 0.00 177.39 175.74 1s40 n VAL 35 N 1.69 0.85 -3.50 1.96 0.31 0.40 -4.49 118.33 115.55 1s40 n VAL 35 Ca 0.18 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1s40 n VAL 35 Cb 0.17 -0.69 -0.04 0.00 -0.91 0.00 0.00 33.84 32.37 1s40 n VAL 35 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s40 s SER 36 N -4.57 -0.49 -0.02 4.52 0.01 -1.14 -3.82 113.70 108.19 1s40 s SER 36 Ca -0.07 0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.47 1s40 s SER 36 Cb 0.04 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1s40 s SER 36 CO 0.50 -0.65 -0.09 0.00 0.41 0.00 0.00 173.24 173.41 1s40 s SER 38 N 0.08 3.65 0.26 0.00 0.15 -0.12 -4.96 113.70 112.75 1s40 s SER 38 Ca -0.01 -1.22 0.16 0.00 0.70 0.00 0.00 55.95 55.58 1s40 s SER 38 Cb -0.07 -0.96 0.05 0.00 -1.71 0.00 0.00 66.02 63.32 1s40 s SER 38 CO 0.00 -0.30 1.36 0.15 1.20 0.00 0.00 173.24 175.65 1s40 h PHE 39 N 8.05 0.00 -1.72 3.44 3.04 -1.87 -1.32 116.94 126.56 1s40 h PHE 39 Ca -0.16 0.00 0.53 0.00 3.98 0.00 0.00 57.97 62.32 1s40 h PHE 39 Cb 1.07 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.48 1s40 h PHE 39 CO 0.40 0.49 1.20 -3.47 -2.02 0.00 0.00 178.31 174.91 1s40 n ASP 40 N -3.17 0.07 -4.68 0.41 2.03 -1.26 -4.32 116.55 105.64 1s40 n ASP 40 Ca 0.01 1.11 -0.42 0.00 0.52 0.00 0.00 54.79 56.00 1s40 n ASP 40 Cb 0.74 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 1s40 n ASP 40 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1s40 s LYS 41 N -4.94 4.19 0.33 -0.67 -0.14 -1.25 -4.86 119.74 112.40 1s40 s LYS 41 Ca -0.06 2.28 0.26 0.00 -1.36 0.00 0.00 55.97 57.10 1s40 s LYS 41 Cb 0.28 -3.75 0.99 0.00 -1.68 0.00 0.00 37.83 33.66 1s40 s LYS 41 CO 0.84 -0.77 1.78 -1.00 -0.76 0.00 0.00 175.35 175.44 1s40 h PRO 42 N 8.81 0.00 0.00 -1.68 0.13 -1.96 -2.91 132.00 134.39 1s40 h PRO 42 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1s40 h PRO 42 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s40 h PRO 42 CO 0.94 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 177.91 1s40 n ALA 43 N -1.87 4.03 0.00 -0.56 0.00 -1.26 -5.04 120.51 115.81 1s40 n ALA 43 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1s40 n ALA 43 Cb 0.31 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.57 0.00 -3.98 0.00 1.16 -1.10 -4.60 117.46 107.37 1s40 n PHE 44 Ca 0.04 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.32 1s40 n PHE 44 Cb 0.35 0.00 -0.15 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 2.38 -0.26 1.97 1.09 -1.26 -3.85 121.20 118.27 1s40 s ILE 45 Ca 0.00 -2.78 -0.44 0.00 -1.10 0.00 0.00 60.65 56.34 1s40 s ILE 45 Cb 0.00 -2.71 -0.20 0.00 -1.06 0.00 0.00 42.46 38.49 1s40 s ILE 45 CO 0.00 -0.70 1.36 -1.20 -0.10 0.00 0.00 174.94 174.30 1s40 n SER 46 N 3.73 0.68 -3.90 3.58 7.64 -0.50 -4.50 113.62 120.35 1s40 n SER 46 Ca 0.04 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.80 1s40 n SER 46 Cb 0.37 -0.91 -0.15 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.61 2.36 -0.28 1.43 0.08 -0.09 -0.95 117.98 122.14 1s40 s PHE 47 Ca 0.98 -1.85 -0.14 0.00 0.12 0.00 0.00 56.93 56.04 1s40 s PHE 47 Cb -1.38 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 1s40 s PHE 47 CO 0.70 -0.80 0.31 0.08 -0.10 0.00 0.00 175.22 175.41 1s40 s VAL 48 N 1.40 5.22 0.57 -0.44 1.01 -1.02 -1.14 120.40 125.99 1s40 s VAL 48 Ca -0.01 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1s40 s VAL 48 Cb -0.18 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1s40 s VAL 48 CO -0.10 0.16 0.75 -0.36 0.00 0.00 0.00 175.10 175.55 1s40 s PHE 49 N 1.97 1.44 -0.01 5.22 0.08 -0.24 0.15 117.98 126.59 1s40 s PHE 49 Ca 0.12 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1s40 s PHE 49 Cb -0.16 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1s40 s PHE 49 CO 0.10 -1.07 -0.01 -1.54 -0.10 0.00 0.00 175.22 172.60 1s40 s SER 50 N -4.62 0.23 0.00 1.36 1.04 -0.06 -2.46 113.70 109.19 1s40 s SER 50 Ca 0.59 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1s40 s SER 50 Cb -0.05 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1s40 s SER 50 CO 0.37 -0.02 0.00 -0.67 0.98 0.00 0.00 173.24 173.90 1s40 n ASP 51 N 3.39 0.00 -3.55 7.02 2.03 -1.26 0.72 116.55 124.90 1s40 n ASP 51 Ca -0.17 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1s40 n ASP 51 Cb 0.56 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.82 1s40 n ASP 51 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1s40 s PHE 52 N 1.40 0.63 0.00 -0.67 5.36 -1.26 -4.87 117.98 118.56 1s40 s PHE 52 Ca 0.00 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.78 1s40 s PHE 52 Cb 0.00 -1.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 1s40 s PHE 52 CO 0.00 -0.83 0.00 0.25 -1.46 0.00 0.00 175.22 173.18 1s40 n THR 53 N 4.89 0.00 -3.80 0.12 -2.24 -1.26 -4.96 114.28 107.03 1s40 n THR 53 Ca -0.01 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.53 1s40 n THR 53 Cb 0.41 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.46 1s40 n THR 53 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s40 s LYS 54 N 0.29 0.80 0.30 -0.78 2.20 -1.26 -4.58 119.74 116.72 1s40 s LYS 54 Ca 0.00 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 1s40 s LYS 54 Cb 0.00 -1.15 -0.10 0.00 -1.51 0.00 0.00 37.83 35.08 1s40 s LYS 54 CO 0.00 -0.31 1.13 1.21 -0.36 0.00 0.00 175.35 177.02 1s40 s ASN 55 N 1.91 7.13 0.00 1.43 3.04 -0.84 -2.21 114.94 125.40 1s40 s ASN 55 Ca 0.05 2.31 0.04 0.00 0.04 0.00 0.00 52.86 55.30 1s40 s ASN 55 Cb -0.12 -2.63 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 1s40 s ASN 55 CO -0.06 -0.24 0.18 -0.67 -3.04 0.00 0.00 177.10 173.26 1s40 n ASP 56 N 0.99 0.21 -4.84 -4.21 2.03 -1.16 -4.84 116.55 104.74 1s40 n ASP 56 Ca -0.00 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.41 1s40 n ASP 56 Cb 0.45 0.99 0.10 0.00 -0.72 0.00 0.00 41.12 41.94 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 -1.38 2.00 -0.08 5.18 1.01 -1.26 -4.99 121.20 121.68 1s40 s ILE 57 Ca 0.02 0.00 0.21 0.00 0.00 0.00 0.00 60.65 60.88 1s40 s ILE 57 Cb 0.03 -2.95 -0.31 0.00 0.01 0.00 0.00 42.46 39.24 1s40 s ILE 57 CO 0.17 0.00 0.39 0.55 0.00 0.00 0.00 174.94 176.05 1s40 n VAL 58 N -3.43 0.36 0.00 2.92 3.14 -1.26 -4.98 118.33 115.08 1s40 n VAL 58 Ca 0.08 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1s40 n VAL 58 Cb 0.61 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1s40 n VAL 58 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1s40 n GLN 59 N -2.39 0.00 -1.26 1.45 7.27 -1.26 -4.80 117.38 116.38 1s40 n GLN 59 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.96 1s40 n GLN 59 Cb 0.71 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.36 1s40 n GLN 59 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1s40 n ASN 60 N 0.00 0.83 -4.65 1.69 0.23 -1.26 -4.42 115.26 107.67 1s40 n ASN 60 Ca 0.00 -0.63 -0.43 0.00 -0.53 0.00 0.00 54.58 52.99 1s40 n ASN 60 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1s40 n ASN 60 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1s40 s TYR 61 N -1.07 2.54 -0.66 -2.53 5.04 -1.26 -4.87 117.35 114.54 1s40 s TYR 61 Ca 0.00 0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 55.22 1s40 s TYR 61 Cb 0.00 -3.69 -0.13 0.00 0.35 0.00 0.00 41.96 38.49 1s40 s TYR 61 CO 0.00 -2.37 1.86 -0.11 -1.34 0.00 0.00 175.55 173.59 1s40 n LEU 62 N 7.00 3.63 0.00 6.97 -0.00 -1.26 -4.88 117.00 128.46 1s40 n LEU 62 Ca 0.15 -2.56 -0.09 0.00 -0.00 0.00 0.00 56.01 53.51 1s40 n LEU 62 Cb 0.44 -0.98 0.07 0.00 -0.00 0.00 0.00 43.42 42.96 1s40 n LEU 62 CO 0.59 -0.32 0.18 0.00 -0.00 0.00 0.00 177.39 177.84 1s40 n TYR 63 N 6.38 -3.25 -2.20 1.96 9.36 -1.26 -3.52 117.16 124.63 1s40 n TYR 63 Ca 0.43 -0.29 -0.06 0.00 3.32 0.00 0.00 57.90 61.30 1s40 n TYR 63 Cb 0.28 -0.34 -0.01 0.00 -0.63 0.00 0.00 39.34 38.65 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 -3.56 -2.20 -0.05 2.98 9.92 -1.26 -4.70 116.55 117.69 1s40 n ASP 64 Ca 0.04 0.31 -0.05 0.00 -0.53 0.00 0.00 54.79 54.56 1s40 n ASP 64 Cb 0.17 -2.02 -0.06 0.00 -0.64 0.00 0.00 41.12 38.58 1s40 n ASP 64 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1s40 n ARG 65 N -2.38 1.62 -1.42 -1.24 0.00 -1.23 -3.71 116.66 108.30 1s40 n ARG 65 Ca -0.07 0.02 -0.51 0.00 -0.00 0.00 0.00 57.85 57.29 1s40 n ARG 65 Cb 0.48 -1.21 -0.05 0.00 0.00 0.00 0.00 32.46 31.68 1s40 n ARG 65 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1s40 n TYR 66 N -2.52 -0.07 -2.42 -0.14 0.18 -1.26 -4.85 117.16 106.08 1s40 n TYR 66 Ca -0.16 0.99 -0.25 0.00 1.88 0.00 0.00 57.90 60.37 1s40 n TYR 66 Cb 0.74 -1.98 0.11 0.00 -0.38 0.00 0.00 39.34 37.82 1s40 n TYR 66 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1s40 s LEU 67 N 1.87 2.94 0.00 -3.48 1.43 -1.26 -4.94 118.68 115.23 1s40 s LEU 67 Ca 0.73 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1s40 s LEU 67 Cb -1.04 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1s40 s LEU 67 CO 0.56 -1.89 0.07 -0.38 0.23 0.00 0.00 176.35 174.94 1s40 n ILE 68 N -2.95 0.00 -1.50 -0.59 5.41 -1.26 -4.45 119.36 114.01 1s40 n ILE 68 Ca 0.13 0.50 -0.58 0.00 1.00 0.00 0.00 62.75 63.80 1s40 n ILE 68 Cb 0.60 -0.93 -0.08 0.00 -0.71 0.00 0.00 39.64 38.53 1s40 n ILE 68 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s40 n ASP 69 N -0.15 0.08 -0.37 4.38 8.00 -1.26 -4.79 116.55 122.44 1s40 n ASP 69 Ca 0.00 1.16 0.05 0.00 0.71 0.00 0.00 54.79 56.71 1s40 n ASP 69 Cb 0.00 -0.95 0.20 0.00 -0.02 0.00 0.00 41.12 40.35 1s40 n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s40 n TYR 70 N 1.52 0.23 -0.01 1.24 4.02 -1.26 -4.01 117.16 118.88 1s40 n TYR 70 Ca 0.20 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.90 57.84 1s40 n TYR 70 Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 1s40 n TYR 70 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1s40 h GLU 71 N 1.25 -0.01 -5.66 -0.72 4.11 -1.92 -3.46 114.58 108.17 1s40 h GLU 71 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1s40 h GLU 71 Cb 0.28 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 1s40 h GLU 71 CO 0.00 0.48 -0.68 1.21 0.07 0.00 0.00 179.01 180.09 1s40 s ASN 72 N -5.69 3.07 -0.10 3.06 2.47 -1.26 -5.14 114.94 111.36 1s40 s ASN 72 Ca -0.16 -1.18 -0.03 0.00 0.42 0.00 0.00 52.86 51.90 1s40 s ASN 72 Cb 0.02 -0.23 0.05 0.00 -1.45 0.00 0.00 41.25 39.64 1s40 s ASN 72 CO 0.67 -0.28 0.10 -1.59 -3.72 0.00 0.00 177.10 172.28 1s40 s LYS 73 N -3.68 0.01 1.00 0.43 0.00 -1.26 -4.57 119.74 111.67 1s40 s LYS 73 Ca 0.30 0.26 -0.18 0.00 0.00 0.00 0.00 55.97 56.35 1s40 s LYS 73 Cb 0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 37.83 36.84 1s40 s LYS 73 CO 0.13 -0.46 -0.54 1.28 0.00 0.00 0.00 175.35 175.76 1s40 n LEU 74 N 5.30 -3.59 -4.94 2.77 4.77 -1.26 -4.96 117.00 115.09 1s40 n LEU 74 Ca -0.05 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 1s40 n LEU 74 Cb 0.50 -0.85 0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1s40 n LEU 74 CO 0.07 -4.46 0.58 -1.83 -1.33 0.00 0.00 177.39 170.42 1s40 s GLU 75 N -2.58 2.10 0.00 3.23 -1.05 -1.26 -4.94 118.70 114.19 1s40 s GLU 75 Ca 0.45 -0.46 0.24 0.00 -0.15 0.00 0.00 54.97 55.06 1s40 s GLU 75 Cb -0.13 -2.22 1.33 0.00 -0.44 0.00 0.00 34.13 32.67 1s40 s GLU 75 CO 0.74 -1.25 1.80 1.28 0.95 0.00 0.00 175.26 178.78 1s40 n LEU 76 N -2.86 0.00 -2.12 1.83 4.77 -1.26 -3.13 117.00 114.23 1s40 n LEU 76 Ca 0.09 0.13 -0.27 0.00 -0.03 0.00 0.00 56.01 55.93 1s40 n LEU 76 Cb 0.60 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 1s40 n LEU 76 CO 0.49 -0.03 1.17 0.59 -1.33 0.00 0.00 177.39 178.29 1s40 n ASN 77 N -1.13 5.55 0.00 -1.43 5.03 -1.26 -4.79 115.26 117.24 1s40 n ASN 77 Ca 0.15 -3.73 0.00 0.00 0.87 0.00 0.00 54.58 51.87 1s40 n ASN 77 Cb 0.13 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 38.06 1s40 n ASN 77 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s40 n GLU 78 N -0.99 0.00 -0.67 3.52 -0.58 -1.18 -1.98 120.64 118.75 1s40 n GLU 78 Ca 0.56 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 57.00 1s40 n GLU 78 Cb 1.05 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 32.19 1s40 n GLU 78 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s40 s GLY 79 N -0.87 1.48 -0.02 0.62 0.00 -1.26 -4.64 107.32 102.63 1s40 s GLY 79 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1s40 s GLY 79 CO 0.00 0.05 0.52 -0.11 0.00 0.00 0.00 173.10 173.56 1s40 s PHE 80 N -2.59 -0.45 0.06 1.90 -0.71 -1.03 -4.96 117.98 110.19 1s40 s PHE 80 Ca 0.70 0.70 0.00 0.00 -1.04 0.00 0.00 56.93 57.29 1s40 s PHE 80 Cb -0.10 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1s40 s PHE 80 CO 0.57 -0.54 0.18 0.21 -1.34 0.00 0.00 175.22 174.29 1s40 s LYS 81 N -1.52 3.33 0.20 1.99 2.20 -1.26 -1.08 119.74 123.61 1s40 s LYS 81 Ca -0.11 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 54.95 1s40 s LYS 81 Cb -0.02 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1s40 s LYS 81 CO 0.06 0.61 0.31 0.00 -0.36 0.00 0.00 175.35 175.96 1s40 s ALA 82 N -1.47 0.24 0.07 3.13 0.00 -0.30 -4.79 121.76 118.65 1s40 s ALA 82 Ca 0.33 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1s40 s ALA 82 Cb -0.13 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1s40 s ALA 82 CO 0.26 -0.70 -0.05 0.96 0.00 0.00 0.00 175.76 176.22 1s40 s ILE 83 N -4.04 0.45 -0.19 0.00 -5.25 -1.00 -0.91 121.20 110.26 1s40 s ILE 83 Ca 0.25 -1.68 -0.10 0.00 -0.99 0.00 0.00 60.65 58.13 1s40 s ILE 83 Cb 0.03 -1.34 0.06 0.00 2.95 0.00 0.00 42.46 44.16 1s40 s ILE 83 CO 0.07 -0.82 0.45 0.00 -1.79 0.00 0.00 174.94 172.85 1s40 s MET 84 N -3.33 0.44 0.10 0.37 0.23 -1.26 0.17 119.30 116.02 1s40 s MET 84 Ca 0.04 0.86 -0.27 0.00 -1.03 0.00 0.00 55.69 55.30 1s40 s MET 84 Cb 0.03 0.01 -0.15 0.00 -1.53 0.00 0.00 34.83 33.19 1s40 s MET 84 CO -0.06 -0.16 0.61 0.98 -2.03 0.00 0.00 175.02 174.36 1s40 n TYR 85 N 4.30 -0.05 -0.36 3.16 9.36 -1.26 -4.23 117.16 128.09 1s40 n TYR 85 Ca -0.23 0.84 0.27 0.00 3.32 0.00 0.00 57.90 62.10 1s40 n TYR 85 Cb 0.56 -1.68 0.55 0.00 -0.63 0.00 0.00 39.34 38.14 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 1.47 0.29 -0.86 2.98 1.57 -1.95 1.76 116.57 121.83 1s40 h LYS 86 Ca -0.31 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1s40 h LYS 86 Cb 1.20 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1s40 h LYS 86 CO 0.50 0.19 0.57 -0.97 -0.57 0.00 0.00 179.45 179.17 1s40 h ASN 87 N 0.30 0.97 0.44 0.86 -1.24 -1.99 0.55 115.58 115.47 1s40 h ASN 87 Ca 0.67 -0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.53 1s40 h ASN 87 Cb 1.83 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.63 1s40 h ASN 87 CO -0.34 0.69 -0.54 -0.61 -1.29 0.00 0.00 177.43 175.34 1s40 h GLN 88 N 1.14 0.10 -0.28 6.67 5.75 0.23 -2.15 115.11 126.58 1s40 h GLN 88 Ca 0.32 -0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.58 1s40 h GLN 88 Cb -0.08 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1s40 h GLN 88 CO -0.08 0.62 -0.56 0.35 -2.65 0.00 0.00 178.83 176.51 1s40 h PHE 89 N 0.08 1.07 -0.76 3.99 3.57 0.12 -2.55 116.94 122.46 1s40 h PHE 89 Ca -0.00 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1s40 h PHE 89 Cb 0.98 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1s40 h PHE 89 CO 0.01 1.21 0.45 0.93 -2.23 0.00 0.00 178.31 178.68 1s40 h GLU 90 N 0.65 1.04 0.05 1.11 5.08 0.21 0.61 114.58 123.32 1s40 h GLU 90 Ca 0.01 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1s40 h GLU 90 Cb 1.16 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1s40 h GLU 90 CO 0.12 0.75 -0.21 1.15 -1.00 0.00 0.00 179.01 179.82 1s40 h THR 91 N 1.05 0.51 -0.41 1.13 2.02 -1.22 0.15 112.91 116.13 1s40 h THR 91 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1s40 h THR 91 Cb -0.01 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1s40 h THR 91 CO -0.05 0.00 0.26 0.15 0.37 0.00 0.00 175.52 176.25 1s40 h PHE 92 N -0.37 0.54 -0.01 3.16 3.57 -1.07 -2.74 116.94 120.02 1s40 h PHE 92 Ca 0.05 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1s40 h PHE 92 Cb 0.42 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1s40 h PHE 92 CO -0.24 0.37 -0.15 0.22 -2.23 0.00 0.00 178.31 176.28 1s40 h ASP 93 N 0.55 -0.44 -0.58 0.41 3.58 -0.31 0.12 116.42 119.76 1s40 h ASP 93 Ca 0.15 0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.78 1s40 h ASP 93 Cb -0.02 0.19 -0.10 0.00 1.72 0.00 0.00 39.33 41.12 1s40 h ASP 93 CO -0.03 -0.21 -0.00 -1.28 -2.88 0.00 0.00 179.24 174.84 1s40 h SER 94 N -0.25 -0.26 -0.26 2.28 0.87 -0.55 1.56 113.55 116.94 1s40 h SER 94 Ca 0.05 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1s40 h SER 94 Cb 0.32 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 1s40 h SER 94 CO -0.15 -0.10 0.01 0.11 -0.53 0.00 0.00 176.83 176.17 1s40 h LYS 95 N 0.11 0.10 -0.56 2.24 1.57 -1.07 -2.30 116.57 116.66 1s40 h LYS 95 Ca 0.30 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1s40 h LYS 95 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1s40 h LYS 95 CO -0.49 0.06 0.05 -0.07 -0.57 0.00 0.00 179.45 178.43 1s40 h LEU 96 N 0.10 0.88 -2.51 2.94 3.38 0.21 -2.54 115.31 117.77 1s40 h LEU 96 Ca 0.12 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1s40 h LEU 96 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1s40 h LEU 96 CO -0.19 0.91 0.11 0.03 0.09 0.00 0.00 178.44 179.39 1s40 h ARG 97 N 0.86 0.00 0.00 1.13 3.08 0.26 0.22 114.38 119.94 1s40 h ARG 97 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1s40 h ARG 97 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1s40 h ARG 97 CO 0.02 0.00 -0.37 1.63 -1.07 0.00 0.00 179.97 180.18 1s40 n LYS 98 N -3.42 0.00 0.06 0.04 4.76 -0.96 -2.67 118.16 115.97 1s40 n LYS 98 Ca -0.02 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.54 1s40 n LYS 98 Cb 0.19 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 1s40 n LYS 98 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1s40 n ILE 99 N -1.51 0.35 0.00 -0.18 5.41 0.75 -4.86 119.36 119.33 1s40 n ILE 99 Ca 0.06 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1s40 n ILE 99 Cb 0.34 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 1s40 n ILE 99 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s40 n PHE 100 N -2.34 0.00 -0.08 1.39 3.72 -1.03 -5.09 117.46 114.04 1s40 n PHE 100 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s40 n PHE 100 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.34 0.00 -0.69 4.37 5.15 -1.09 -5.05 115.26 117.61 1s40 n ASN 101 Ca 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1s40 n ASN 101 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1s40 n ASN 101 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1s40 n ASN 102 N 0.00 0.00 -4.90 1.20 3.02 -1.25 -5.01 115.26 108.31 1s40 n ASN 102 Ca 0.00 -0.69 -0.21 0.00 -0.03 0.00 0.00 54.58 53.65 1s40 n ASN 102 Cb 0.01 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1s40 n ASN 102 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s40 s GLY 103 N -0.69 1.64 0.29 7.41 0.00 -1.26 -3.34 107.32 111.36 1s40 s GLY 103 Ca 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.20 1s40 s GLY 103 CO 0.00 -1.48 1.64 1.41 0.00 0.00 0.00 173.10 174.67 1s40 h LEU 104 N 1.17 -0.05 -1.05 0.66 4.07 -1.97 0.78 115.31 118.92 1s40 h LEU 104 Ca -0.46 0.21 0.23 0.00 0.08 0.00 0.00 57.88 57.94 1s40 h LEU 104 Cb 1.25 0.29 -0.12 0.00 1.08 0.00 0.00 40.66 43.16 1s40 h LEU 104 CO 0.57 -0.18 0.61 0.08 -1.08 0.00 0.00 178.44 178.44 1s40 h ARG 105 N 0.18 0.59 0.00 1.13 0.11 -1.97 0.90 114.38 115.32 1s40 h ARG 105 Ca 0.56 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 60.52 1s40 h ARG 105 Cb 1.14 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1s40 h ARG 105 CO -0.68 0.39 -0.37 0.22 0.10 0.00 0.00 179.97 179.63 1s40 h ASP 106 N 0.61 0.00 -0.36 0.08 1.82 0.19 -3.00 116.42 115.76 1s40 h ASP 106 Ca 0.62 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 57.13 1s40 h ASP 106 Cb 1.17 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 1s40 h ASP 106 CO -0.43 0.37 -0.28 -0.07 -1.61 0.00 0.00 179.24 177.22 1s40 h LEU 107 N 0.00 0.91 -2.70 2.28 3.38 0.13 -2.69 115.31 116.62 1s40 h LEU 107 Ca -0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1s40 h LEU 107 Cb 0.90 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1s40 h LEU 107 CO 0.05 1.13 0.16 0.00 0.09 0.00 0.00 178.44 179.87 1s40 n GLN 108 N -4.09 2.48 -0.30 1.13 10.64 -0.76 -4.73 117.38 121.75 1s40 n GLN 108 Ca -0.01 -1.68 -0.08 0.00 -1.83 0.00 0.00 57.00 53.41 1s40 n GLN 108 Cb 0.48 -1.79 -0.02 0.00 -0.86 0.00 0.00 30.24 28.05 1s40 n GLN 108 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s40 n ASN 109 N 0.01 1.94 0.00 2.61 4.13 -1.02 -4.50 115.26 118.44 1s40 n ASN 109 Ca 0.23 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1s40 n ASN 109 Cb 0.93 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s40 n GLY 110 N 3.65 0.33 0.00 7.41 0.00 -1.26 -5.07 105.19 110.25 1s40 n GLY 110 Ca 0.17 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 0.00 -0.78 1.61 1.74 -1.26 -2.19 116.66 115.78 1s40 n ARG 111 Ca 0.00 0.69 -0.28 0.00 -0.77 0.00 0.00 57.85 57.49 1s40 n ARG 111 Cb 0.00 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1s40 n ARG 111 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s40 n ASP 112 N -2.09 3.39 -3.71 0.55 5.75 -1.26 -4.75 116.55 114.43 1s40 n ASP 112 Ca 0.00 -2.41 -0.13 0.00 -0.01 0.00 0.00 54.79 52.24 1s40 n ASP 112 Cb 0.00 -1.01 -0.13 0.00 -1.03 0.00 0.00 41.12 38.95 1s40 n ASP 112 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1s40 s GLU 113 N 4.29 0.20 0.11 0.11 2.56 -0.93 -5.16 118.70 119.87 1s40 s GLU 113 Ca 0.42 0.59 -0.02 0.00 0.00 0.00 0.00 54.97 55.97 1s40 s GLU 113 Cb 0.11 -0.10 0.02 0.00 2.00 0.00 0.00 34.13 36.16 1s40 s GLU 113 CO 0.04 -0.19 0.14 0.09 -0.56 0.00 0.00 175.26 174.78 1s40 n ASN 114 N 4.49 -0.05 -2.68 -1.70 5.03 -1.26 -4.94 115.26 114.15 1s40 n ASN 114 Ca -0.21 -1.03 -0.06 0.00 0.87 0.00 0.00 54.58 54.16 1s40 n ASN 114 Cb 0.52 -0.11 0.04 0.00 -1.02 0.00 0.00 39.78 39.22 1s40 n ASN 114 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1s40 n LEU 115 N 0.00 2.14 -1.48 3.41 -0.00 -1.25 -4.83 117.00 114.98 1s40 n LEU 115 Ca 0.02 -3.46 0.04 0.00 -0.00 0.00 0.00 56.01 52.60 1s40 n LEU 115 Cb 0.06 0.32 0.02 0.00 -0.00 0.00 0.00 43.42 43.83 1s40 n LEU 115 CO 0.04 1.32 0.07 -1.20 -0.00 0.00 0.00 177.39 177.62 1s40 n SER 116 N -0.52 1.02 0.29 1.96 7.64 -1.25 -4.20 113.62 118.55 1s40 n SER 116 Ca 0.14 -2.04 -0.12 0.00 1.01 0.00 0.00 58.87 57.85 1s40 n SER 116 Cb 0.82 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1s40 n SER 116 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1s40 h GLN 117 N 1.00 -0.75 0.16 1.43 4.20 -1.91 -3.38 115.11 115.86 1s40 h GLN 117 Ca -0.22 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1s40 h GLN 117 Cb 1.88 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.83 1s40 h GLN 117 CO 0.10 -0.48 -0.07 -0.92 -0.67 0.00 0.00 178.83 176.78 1s40 h TYR 118 N -1.19 -0.19 0.00 2.96 3.20 -1.91 -3.39 116.97 116.45 1s40 h TYR 118 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1s40 h TYR 118 Cb 0.61 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1s40 h TYR 118 CO 0.00 0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 1s40 n GLY 119 N 1.15 4.09 5.00 1.82 0.00 -1.26 -4.75 105.19 111.24 1s40 n GLY 119 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -2.12 -0.61 5.41 -1.26 -3.31 119.36 117.47 1s40 n ILE 120 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1s40 n ILE 120 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00-12.17 -3.52 1.39 0.31 -1.26 -3.08 118.33 100.00 1s40 n VAL 121 Ca 0.00 3.05 -0.12 0.00 -0.01 0.00 0.00 64.34 67.25 1s40 n VAL 121 Cb 0.00 -5.15 -0.04 0.00 -0.91 0.00 0.00 33.84 27.75 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 -3.33 3.45 -0.05 0.00 2.20 -0.89 -3.64 119.74 117.48 1s40 s LYS 123 Ca -0.01 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 54.83 1s40 s LYS 123 Cb -0.00 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1s40 s LYS 123 CO -0.09 0.52 0.50 0.00 -0.36 0.00 0.00 175.35 175.92 1s40 s MET 124 N -3.14 0.84 -0.45 4.03 0.23 -1.11 -2.94 119.30 116.75 1s40 s MET 124 Ca 0.35 0.13 -0.14 0.00 -1.03 0.00 0.00 55.69 55.00 1s40 s MET 124 Cb -0.11 0.39 0.07 0.00 -1.53 0.00 0.00 34.83 33.64 1s40 s MET 124 CO 0.28 -0.23 0.35 1.21 -2.03 0.00 0.00 175.02 174.60 1s40 s ASN 125 N -1.06 6.01 -0.11 -1.18 2.47 -1.26 -0.97 114.94 118.85 1s40 s ASN 125 Ca -0.11 -1.31 -0.04 0.00 0.42 0.00 0.00 52.86 51.83 1s40 s ASN 125 Cb -0.03 -2.13 -0.04 0.00 -1.45 0.00 0.00 41.25 37.61 1s40 s ASN 125 CO 0.06 -0.59 0.03 -0.63 -3.72 0.00 0.00 177.10 172.26 1s40 s ILE 126 N 1.59 4.59 -0.48 -5.21 1.01 0.22 0.24 121.20 123.16 1s40 s ILE 126 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 1s40 s ILE 126 Cb -0.23 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.34 1s40 s ILE 126 CO 0.06 0.59 0.48 -0.75 0.00 0.00 0.00 174.94 175.32 1s40 s LYS 127 N -0.73 3.04 0.05 2.79 2.20 -0.77 -1.85 119.74 124.47 1s40 s LYS 127 Ca 0.12 -1.16 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1s40 s LYS 127 Cb -0.12 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 1s40 s LYS 127 CO 0.02 -1.10 0.25 0.14 -0.36 0.00 0.00 175.35 174.31 1s40 s VAL 128 N 2.03 5.33 0.32 4.02 -7.23 -0.91 -3.09 120.40 120.87 1s40 s VAL 128 Ca 0.08 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 1s40 s VAL 128 Cb -0.22 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.13 1s40 s VAL 128 CO 0.09 0.21 0.54 -1.59 -0.31 0.00 0.00 175.10 174.04 1s40 s LYS 129 N -2.25 1.87 -0.14 4.82 -2.85 -1.12 -2.22 119.74 117.86 1s40 s LYS 129 Ca 0.33 -1.53 -0.14 0.00 -1.00 0.00 0.00 55.97 53.63 1s40 s LYS 129 Cb -0.13 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1s40 s LYS 129 CO 0.23 -0.80 0.30 -1.64 0.10 0.00 0.00 175.35 173.54 1s40 s MET 130 N -3.21 4.16 -1.29 1.78 -1.94 -1.26 0.62 119.30 118.16 1s40 s MET 130 Ca 0.25 0.13 -0.05 0.00 -1.71 0.00 0.00 55.69 54.31 1s40 s MET 130 Cb -0.01 -3.38 0.14 0.00 2.01 0.00 0.00 34.83 33.58 1s40 s MET 130 CO 0.15 0.33 2.32 0.98 -0.01 0.00 0.00 175.02 178.79 1s40 n TYR 131 N 3.25 2.62 -0.84 -0.03 4.19 -1.04 -4.62 117.16 120.68 1s40 n TYR 131 Ca -0.12 -2.80 0.00 0.00 3.31 0.00 0.00 57.90 58.29 1s40 n TYR 131 Cb 0.52 -1.77 0.00 0.00 0.49 0.00 0.00 39.34 38.58 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 1.55 -2.06 0.00 2.98 4.13 -1.26 -3.93 115.26 116.67 1s40 n ASN 132 Ca 0.61 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.87 1s40 n ASN 132 Cb 0.25 -1.73 0.00 0.00 -1.54 0.00 0.00 39.78 36.75 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 -1.46 0.00 0.00 7.41 0.00 -1.26 -5.14 105.19 104.74 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 0.58 0.00 0.00 0.00 173.32 173.90 1s40 n LYS 134 N 0.00 0.97 -3.96 1.61 2.85 -1.25 -4.93 118.16 113.45 1s40 n LYS 134 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1s40 n LYS 134 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 1s40 n LYS 134 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1s40 s LEU 135 N 0.00 2.12 0.10 -5.58 2.96 -1.26 -2.50 118.68 114.52 1s40 s LEU 135 Ca 0.00 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1s40 s LEU 135 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 1s40 s LEU 135 CO 0.00 -0.14 0.05 0.21 -1.32 0.00 0.00 176.35 175.15 1s40 s ASN 136 N -0.76 5.26 -0.19 3.68 2.47 0.20 -4.60 114.94 121.00 1s40 s ASN 136 Ca -0.07 -0.12 -0.04 0.00 0.42 0.00 0.00 52.86 53.05 1s40 s ASN 136 Cb -0.05 -1.32 0.06 0.00 -1.45 0.00 0.00 41.25 38.49 1s40 s ASN 136 CO -0.00 0.16 0.06 0.00 -3.72 0.00 0.00 177.10 173.60 1s40 s ALA 137 N -1.41 0.78 0.38 1.71 0.00 -1.26 -2.79 121.76 119.15 1s40 s ALA 137 Ca 0.28 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1s40 s ALA 137 Cb -0.12 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 1s40 s ALA 137 CO 0.20 -1.22 0.12 0.96 0.00 0.00 0.00 175.76 175.83 1s40 s ILE 138 N 1.97 2.55 -0.06 0.00 -4.36 -1.18 -2.38 121.20 117.74 1s40 s ILE 138 Ca 0.01 -1.78 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1s40 s ILE 138 Cb -0.17 -2.94 -0.02 0.00 1.25 0.00 0.00 42.46 40.58 1s40 s ILE 138 CO -0.11 -0.10 -0.17 -0.69 0.24 0.00 0.00 174.94 174.12 1s40 s VAL 139 N -2.54 2.83 -0.08 8.37 1.01 0.45 -1.85 120.40 128.60 1s40 s VAL 139 Ca 0.38 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1s40 s VAL 139 Cb 0.01 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.17 1s40 s VAL 139 CO 0.22 0.58 0.08 -1.14 0.00 0.00 0.00 175.10 174.83 1s40 n ARG 140 N 2.55 1.94 -2.64 2.72 3.00 0.66 -4.74 116.66 120.16 1s40 n ARG 140 Ca -0.17 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.85 57.58 1s40 n ARG 140 Cb 0.52 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 31.72 1s40 n ARG 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1s40 n GLU 141 N -2.24 1.41 -2.73 -0.14 1.02 -1.22 -4.89 120.64 111.85 1s40 n GLU 141 Ca -0.13 -0.90 0.02 0.00 -0.02 0.00 0.00 57.16 56.13 1s40 n GLU 141 Cb 0.69 0.32 0.01 0.00 -0.02 0.00 0.00 31.44 32.44 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 1.97 2.44 0.35 0.00 2.02 -1.15 -4.65 118.70 119.68 1s40 s GLU 143 Ca 0.14 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.23 1s40 s GLU 143 Cb 0.04 -2.13 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 1s40 s GLU 143 CO -0.15 -0.15 1.20 -1.25 0.02 0.00 0.00 175.26 174.92 1s40 s PRO 144 N 1.22 4.29 -0.47 0.39 0.04 -1.26 -2.10 135.00 137.11 1s40 s PRO 144 Ca -0.00 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1s40 s PRO 144 Cb -0.14 -2.93 0.34 0.00 0.04 0.00 0.00 34.50 31.82 1s40 s PRO 144 CO -0.07 -0.15 0.82 0.28 0.04 0.00 0.00 177.00 177.93 1s40 n VAL 145 N 0.58 1.31 -0.69 -0.36 0.31 0.30 -4.88 118.33 114.90 1s40 n VAL 145 Ca 0.02 -5.03 -0.07 0.00 -0.01 0.00 0.00 64.34 59.24 1s40 n VAL 145 Cb 0.45 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.44 1s40 n VAL 145 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s40 n PRO 146 N 0.08 1.37 -1.24 5.55 -0.04 -1.18 -4.61 135.00 134.94 1s40 n PRO 146 Ca 0.28 -0.59 0.12 0.00 -0.04 0.00 0.00 63.50 63.27 1s40 n PRO 146 Cb 0.53 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.36 -3.34 -0.47 0.54 -0.00 -1.26 -4.75 115.22 108.30 1s40 n HIS 147 Ca 0.25 1.84 0.00 0.00 0.46 0.00 0.00 57.72 60.27 1s40 n HIS 147 Cb 0.64 -3.01 0.00 0.00 -0.12 0.00 0.00 29.99 27.50 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 -3.67 0.00 0.00 0.26 2.88 -1.26 -4.61 113.62 107.21 1s40 n SER 148 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1s40 n SER 148 Cb 0.55 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -2.00 2.33 -0.27 -1.46 1.13 -1.26 -4.80 117.38 111.05 1s40 n GLN 149 Ca 0.00 -0.04 0.04 0.00 -1.94 0.00 0.00 57.00 55.07 1s40 n GLN 149 Cb 0.00 -0.30 0.18 0.00 0.11 0.00 0.00 30.24 30.23 1s40 n GLN 149 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1s40 h ILE 150 N 0.10 0.78 0.00 5.09 2.10 -1.89 1.03 117.51 124.73 1s40 h ILE 150 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1s40 h ILE 150 Cb 0.05 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 35.90 1s40 h ILE 150 CO 0.00 0.11 0.00 -1.20 -1.08 0.00 0.00 178.15 175.98 1s40 n SER 151 N -4.87 0.00 -0.06 2.19 7.64 -1.26 0.21 113.62 117.48 1s40 n SER 151 Ca 0.14 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.62 1s40 n SER 151 Cb 0.35 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.15 2.72 0.04 6.43 3.41 0.15 -4.59 113.62 120.63 1s40 n SER 152 Ca 0.13 -0.02 -0.04 0.00 -0.26 0.00 0.00 58.87 58.68 1s40 n SER 152 Cb 0.12 -0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 1s40 n SER 152 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1s40 h ILE 153 N -0.08 0.94 -4.00 -1.33 2.04 0.87 -3.47 117.51 112.48 1s40 h ILE 153 Ca -0.26 -2.56 -0.28 0.00 1.00 0.00 0.00 64.86 62.76 1s40 h ILE 153 Cb 1.37 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 39.78 1s40 h ILE 153 CO -0.07 0.53 -0.23 0.00 0.00 0.00 0.00 178.15 178.39 1s40 n ALA 154 N -2.40 0.26 0.00 1.87 0.00 0.57 -5.03 120.51 115.79 1s40 n ALA 154 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1s40 n ALA 154 Cb 0.91 0.66 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 -1.69 0.00 -4.55 0.00 7.64 -1.24 -4.04 113.62 109.73 1s40 n SER 155 Ca -0.04 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 1s40 n SER 155 Cb 0.30 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.00 2.85 0.00 1.43 0.04 -1.26 -4.17 135.00 133.89 1s40 s PRO 156 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1s40 s PRO 156 Cb 0.00 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1s40 s PRO 156 CO 0.00 -2.71 0.00 0.43 0.04 0.00 0.00 177.00 174.76 1s40 n SER 157 N 11.87 0.00 0.16 6.66 7.64 -1.26 -4.36 113.62 134.32 1s40 n SER 157 Ca 0.24 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.30 1s40 n SER 157 Cb 0.50 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.42 1s40 n SER 157 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1s40 h GLN 158 N 0.00 0.00 -0.40 1.43 3.07 -1.99 0.19 115.11 117.41 1s40 h GLN 158 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1s40 h GLN 158 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1s40 h GLN 158 CO 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 178.83 178.66 1s40 h GLU 160 N 0.72 0.34 -0.83 0.00 4.11 -0.97 -2.95 114.58 115.01 1s40 h GLU 160 Ca 0.09 -0.59 0.17 0.00 0.07 0.00 0.00 59.36 59.10 1s40 h GLU 160 Cb 0.81 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1s40 h GLU 160 CO 0.07 1.28 0.55 1.25 0.07 0.00 0.00 179.01 182.23 1s40 h HIS 161 N -0.24 0.56 -0.18 2.06 2.76 -1.27 0.26 115.15 119.10 1s40 h HIS 161 Ca -0.20 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.84 1s40 h HIS 161 Cb 1.79 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.58 1s40 h HIS 161 CO 0.17 0.19 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.47 1s40 h LEU 162 N 0.46 0.70 -0.83 0.26 3.38 -1.38 -2.50 115.31 115.39 1s40 h LEU 162 Ca 0.42 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1s40 h LEU 162 Cb 0.95 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1s40 h LEU 162 CO -0.15 1.15 0.37 0.03 0.09 0.00 0.00 178.44 179.92 1s40 h ARG 163 N 0.29 1.22 0.00 1.13 3.08 -0.73 -1.72 114.38 117.65 1s40 h ARG 163 Ca -0.00 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1s40 h ARG 163 Cb 1.06 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1s40 h ARG 163 CO 0.10 0.96 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.72 1s40 h LEU 164 N 1.20 0.00 -0.23 3.04 3.38 -0.54 -2.75 115.31 119.41 1s40 h LEU 164 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1s40 h LEU 164 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1s40 h LEU 164 CO -0.03 0.16 -0.10 0.15 0.09 0.00 0.00 178.44 178.71 1s40 h PHE 165 N 0.00 0.54 -0.99 1.13 3.04 -0.85 -2.71 116.94 117.10 1s40 h PHE 165 Ca -0.00 -0.13 0.08 0.00 3.98 0.00 0.00 57.97 61.90 1s40 h PHE 165 Cb 0.41 -0.12 -0.07 0.00 2.56 0.00 0.00 35.95 38.73 1s40 h PHE 165 CO 0.00 0.74 0.64 1.88 -2.02 0.00 0.00 178.31 179.55 1s40 h TYR 166 N 0.18 1.17 -0.91 0.41 0.05 -1.36 0.33 116.97 116.84 1s40 h TYR 166 Ca 0.05 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1s40 h TYR 166 Cb 0.59 -0.38 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 1s40 h TYR 166 CO 0.06 0.57 0.60 1.96 -1.05 0.00 0.00 178.16 180.30 1s40 h GLN 167 N 1.11 1.18 0.01 4.88 1.08 -1.41 -1.16 115.11 120.80 1s40 h GLN 167 Ca 0.44 -0.07 -0.19 0.00 -1.45 0.00 0.00 58.65 57.38 1s40 h GLN 167 Cb 0.26 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1s40 h GLN 167 CO -0.19 0.78 -0.91 -0.09 -0.95 0.00 0.00 178.83 177.47 1s40 h ARG 168 N 1.21 0.06 0.00 1.46 9.65 -0.85 -3.17 114.38 122.74 1s40 h ARG 168 Ca 0.34 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 59.07 1s40 h ARG 168 Cb -0.12 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1s40 h ARG 168 CO -0.08 0.92 -0.35 0.00 2.80 0.00 0.00 179.97 183.26 1s40 h ALA 169 N 1.05 1.31 0.00 2.80 0.00 0.23 -2.16 119.26 122.48 1s40 h ALA 169 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1s40 h ALA 169 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1s40 h ALA 169 CO 0.13 0.44 0.15 0.74 0.00 0.00 0.00 179.25 180.70 1s40 h PHE 170 N 0.00 0.00 0.00 0.00 -1.00 -1.21 0.73 116.94 115.46 1s40 h PHE 170 Ca -0.00 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.57 1s40 h PHE 170 Cb 0.67 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 1s40 h PHE 170 CO 0.00 0.00 -1.78 1.63 -1.61 0.00 0.00 178.31 176.55 1s40 n LYS 171 N -2.84 0.35 0.03 1.51 4.76 -0.92 -4.37 118.16 116.68 1s40 n LYS 171 Ca -0.02 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1s40 n LYS 171 Cb 0.20 -1.27 0.14 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.46 -0.32 1.97 2.47 -1.11 -3.17 114.38 114.67 1s40 h ARG 172 Ca -0.30 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.12 1s40 h ARG 172 Cb 1.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1s40 h ARG 172 CO -0.05 0.80 -0.03 0.82 0.56 0.00 0.00 179.97 182.07 1s40 h ILE 173 N 0.38 1.27 -0.33 2.04 2.04 -1.11 -3.49 117.51 118.30 1s40 h ILE 173 Ca 0.03 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1s40 h ILE 173 Cb 0.90 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1s40 h ILE 173 CO 0.08 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1s40 n GLY 174 N -0.27 0.17 0.49 5.37 0.00 -1.20 -4.57 105.19 105.17 1s40 n GLY 174 Ca -0.02 -0.92 0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 0.43 1.61 4.11 -1.88 -1.57 114.58 117.29 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 -0.21 1.03 0.07 0.00 0.00 179.01 179.90 1s40 h SER 176 N 0.00 -0.49 -0.63 3.06 0.87 -1.99 -2.26 113.55 112.11 1s40 h SER 176 Ca 0.45 -0.09 0.11 0.00 -1.23 0.00 0.00 61.79 61.03 1s40 h SER 176 Cb 1.93 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 63.94 1s40 h SER 176 CO -0.00 -0.17 0.19 0.00 -0.53 0.00 0.00 176.83 176.32 1s40 h ALA 177 N -0.40 0.80 -0.02 6.23 0.00 -1.53 0.49 119.26 124.83 1s40 h ALA 177 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s40 h ALA 177 Cb 0.55 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s40 h ALA 177 CO 0.10 -0.25 0.02 0.82 0.00 0.00 0.00 179.25 179.93 1s40 h ILE 178 N 0.34 0.51 0.00 0.00 2.04 -1.44 0.19 117.51 119.15 1s40 h ILE 178 Ca 0.33 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.12 1s40 h ILE 178 Cb 0.47 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1s40 h ILE 178 CO -0.37 0.00 -0.34 -1.28 0.00 0.00 0.00 178.15 176.16 1s40 h SER 179 N 0.00 0.00 0.09 1.72 0.87 0.59 1.24 113.55 118.07 1s40 h SER 179 Ca 0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1s40 h SER 179 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1s40 h SER 179 CO -0.00 0.34 -0.63 0.03 -0.53 0.00 0.00 176.83 176.05 1s40 h ARG 180 N 0.00 0.52 -0.68 2.24 2.47 -0.27 -3.33 114.38 115.34 1s40 h ARG 180 Ca -0.00 -0.37 -0.34 0.00 -1.26 0.00 0.00 59.98 58.01 1s40 h ARG 180 Cb 0.91 0.06 -0.41 0.00 -1.65 0.00 0.00 29.97 28.88 1s40 h ARG 180 CO 0.04 0.98 -1.07 0.66 0.56 0.00 0.00 179.97 181.15 1s40 n TYR 181 N -3.92 1.59 -0.19 3.04 4.02 -1.13 -4.94 117.16 115.64 1s40 n TYR 181 Ca -0.04 -2.36 -0.04 0.00 -0.01 0.00 0.00 57.90 55.45 1s40 n TYR 181 Cb 0.65 -0.27 0.03 0.00 -0.02 0.00 0.00 39.34 39.72 1s40 n TYR 181 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1s40 h PHE 182 N 2.63 -0.69 -0.47 -0.72 -0.00 0.14 -0.85 116.94 116.98 1s40 h PHE 182 Ca -0.03 0.06 0.07 0.00 -0.00 0.00 0.00 57.97 58.08 1s40 h PHE 182 Cb 1.27 0.39 -0.09 0.00 -0.00 0.00 0.00 35.95 37.51 1s40 h PHE 182 CO 0.57 -0.34 -0.46 0.93 -0.00 0.00 0.00 178.31 179.01 1s40 h GLU 183 N -0.12 -0.29 -1.14 6.09 5.08 -1.92 1.04 114.58 123.31 1s40 h GLU 183 Ca 0.25 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.96 1s40 h GLU 183 Cb 0.52 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1s40 h GLU 183 CO -0.65 -0.20 0.86 0.93 -1.00 0.00 0.00 179.01 178.96 1s40 h GLU 184 N -0.30 0.00 0.00 2.33 4.39 -1.53 0.44 114.58 119.90 1s40 h GLU 184 Ca 0.14 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1s40 h GLU 184 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1s40 h GLU 184 CO -0.62 0.00 -0.37 1.88 -1.16 0.00 0.00 179.01 178.74 1s40 h TYR 185 N 0.00 0.00 0.00 4.33 0.05 0.14 -3.32 116.97 118.17 1s40 h TYR 185 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1s40 h TYR 185 Cb 2.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.00 1s40 h TYR 185 CO 0.00 0.85 0.00 2.89 -1.05 0.00 0.00 178.16 180.85 1s40 n ARG 186 N -4.60 0.12 -3.68 4.88 1.85 0.20 -4.89 116.66 110.54 1s40 n ARG 186 Ca -0.13 0.19 -0.24 0.00 -1.00 0.00 0.00 57.85 56.67 1s40 n ARG 186 Cb 0.42 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.38 -0.72 -1.28 2.89 0.63 0.14 0.18 116.66 117.12 1s40 n ARG 187 Ca 0.05 0.13 -0.10 0.00 -0.92 0.00 0.00 57.85 57.01 1s40 n ARG 187 Cb 0.14 -1.30 -0.04 0.00 0.45 0.00 0.00 32.46 31.71 1s40 n ARG 187 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1s40 n PHE 188 N -2.82 0.00 -4.53 -0.14 3.01 -1.26 -4.98 117.46 106.74 1s40 n PHE 188 Ca -0.13 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.08 1s40 n PHE 188 Cb 0.40 -2.12 -0.11 0.00 -0.01 0.00 0.00 39.48 37.64 1s40 n PHE 188 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1s40 s PHE 189 N -2.19 2.25 0.47 1.38 5.36 0.49 -5.13 117.98 120.61 1s40 s PHE 189 Ca 0.00 -0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 55.06 1s40 s PHE 189 Cb 0.00 -1.45 -0.09 0.00 -0.34 0.00 0.00 43.02 41.14 1s40 s PHE 189 CO 0.00 0.34 1.02 -1.25 -1.46 0.00 0.00 175.22 173.88 1s40 s PRO 190 N -3.73 3.92 0.00 10.12 0.04 -1.26 -4.73 135.00 139.35 1s40 s PRO 190 Ca 0.34 1.34 0.24 0.00 0.04 0.00 0.00 61.00 62.96 1s40 s PRO 190 Cb 0.07 -2.16 0.28 0.00 0.04 0.00 0.00 34.50 32.73 1s40 s PRO 190 CO 0.16 -0.33 1.31 -0.89 0.04 0.00 0.00 177.00 177.29