#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 -0.07 -3.59 1.97 2.81 -1.26 -5.12 117.12 111.86 1s40 n MET 6 Ca 0.00 -1.21 0.01 0.00 -1.81 0.00 0.00 57.70 54.69 1s40 n MET 6 Cb 0.00 -0.45 -0.01 0.00 -0.71 0.00 0.00 33.22 32.05 1s40 n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s40 s ALA 7 N -3.34 -2.35 0.53 3.04 0.00 -1.26 -5.16 121.76 113.22 1s40 s ALA 7 Ca 0.34 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1s40 s ALA 7 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1s40 s ALA 7 CO 0.23 -0.86 0.00 0.54 0.00 0.00 0.00 175.76 175.67 1s40 n ARG 8 N -0.31 -2.86 0.00 0.00 5.12 -1.26 -4.90 116.66 112.44 1s40 n ARG 8 Ca -0.04 2.34 0.00 0.00 -1.93 0.00 0.00 57.85 58.22 1s40 n ARG 8 Cb 0.61 -3.43 0.00 0.00 -1.16 0.00 0.00 32.46 28.48 1s40 n ARG 8 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1s40 n LYS 9 N -4.17 0.00 -3.83 5.56 5.02 -1.26 -4.88 118.16 114.61 1s40 n LYS 9 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 1s40 n LYS 9 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.63 1s40 n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1s40 n ASP 10 N -3.04 -4.27 -2.61 4.39 -0.08 -1.26 -4.96 116.55 104.72 1s40 n ASP 10 Ca 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.18 1s40 n ASP 10 Cb 0.00 -2.86 0.00 0.00 2.34 0.00 0.00 41.12 40.60 1s40 n ASP 10 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1s40 n PRO 11 N -4.45 0.50 -4.44 -0.67 -0.04 -1.26 -4.80 135.00 119.84 1s40 n PRO 11 Ca -0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.05 1s40 n PRO 11 Cb 0.60 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.45 2.11 0.16 0.52 -1.32 -1.26 -2.57 115.64 112.83 1s40 s THR 12 Ca 0.00 -1.65 0.02 0.00 -1.21 0.00 0.00 61.69 58.85 1s40 s THR 12 Cb 0.00 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1s40 s THR 12 CO 0.00 0.10 0.18 2.30 -2.21 0.00 0.00 174.62 174.99 1s40 n ILE 13 N 1.09 0.00 -2.99 5.08 -5.35 0.30 -4.86 119.36 112.63 1s40 n ILE 13 Ca -0.18 -1.01 0.04 0.00 -0.27 0.00 0.00 62.75 61.33 1s40 n ILE 13 Cb 0.53 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1s40 n ILE 13 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1s40 s GLU 14 N -2.52 0.14 0.00 6.28 0.41 -1.26 -4.01 118.70 117.75 1s40 s GLU 14 Ca 0.17 0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1s40 s GLU 14 Cb 0.00 0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.39 1s40 s GLU 14 CO 0.12 -0.24 0.00 1.19 -0.49 0.00 0.00 175.26 175.84 1s40 n PHE 15 N 4.49 0.00 0.07 1.61 3.01 -1.26 -3.01 117.46 122.37 1s40 n PHE 15 Ca 0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.43 1s40 n PHE 15 Cb 0.60 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.06 1s40 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s40 n GLN 17 N -3.73 1.84 0.00 0.00 6.02 -1.16 -4.90 117.38 115.44 1s40 n GLN 17 Ca -0.05 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1s40 n GLN 17 Cb 0.80 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.74 1s40 n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s40 n LEU 18 N 0.41 0.00 0.00 1.08 7.99 -1.16 -4.36 117.00 120.96 1s40 n LEU 18 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1s40 n LEU 18 Cb 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1s40 n LEU 18 CO 0.08 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.46 1s40 n GLY 19 N 0.00 0.17 0.00 -0.72 0.00 -1.26 -4.96 105.19 98.41 1s40 n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.53 0.99 0.00 -1.26 -5.06 117.00 108.14 1s40 n LEU 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 1s40 n LEU 20 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1s40 n LEU 20 CO 0.00 -1.13 0.66 -1.81 0.00 0.00 0.00 177.39 175.11 1s40 s ASP 21 N -1.78 -0.43 0.00 1.96 1.01 -1.26 -4.99 116.67 111.18 1s40 s ASP 21 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1s40 s ASP 21 Cb 0.00 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.32 1s40 s ASP 21 CO 0.00 -0.54 0.39 0.41 0.21 0.00 0.00 175.17 175.64 1s40 n THR 22 N 0.29 0.00 0.12 -1.27 -1.04 -1.26 -0.31 114.28 110.81 1s40 n THR 22 Ca -0.11 0.89 0.01 0.00 -2.04 0.00 0.00 64.05 62.80 1s40 n THR 22 Cb 0.60 -1.39 0.07 0.00 -1.82 0.00 0.00 70.33 67.78 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 -0.78 0.00 0.00 -1.42 7.35 -1.26 -3.77 117.46 117.58 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 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.47 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 -1.36 1.92 0.00 -4.13 0.00 0.57 -4.99 120.64 112.65 1s40 n GLU 24 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1s40 n GLU 24 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.47 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 -0.16 0.00 -3.51 6.31 -1.04 -1.26 -4.47 114.28 110.15 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 0.29 -0.64 0.00 0.00 175.07 174.72 1s40 n LYS 26 N 0.00 2.16 -4.87 -2.82 5.02 -0.88 -4.94 118.16 111.83 1s40 n LYS 26 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1s40 n LYS 26 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1s40 n LYS 26 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s40 s TYR 27 N -0.43 2.02 0.19 2.13 2.02 -1.26 -2.14 117.35 119.88 1s40 s TYR 27 Ca 0.00 -0.81 -0.19 0.00 -0.37 0.00 0.00 57.07 55.69 1s40 s TYR 27 Cb 0.00 -1.40 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1s40 s TYR 27 CO 0.00 -0.36 0.56 0.96 -1.57 0.00 0.00 175.55 175.14 1s40 s ILE 28 N 0.54 0.02 -0.06 2.71 -4.36 -0.72 -4.82 121.20 114.51 1s40 s ILE 28 Ca -0.16 -0.58 0.03 0.00 -0.26 0.00 0.00 60.65 59.67 1s40 s ILE 28 Cb -0.17 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1s40 s ILE 28 CO 0.06 -0.09 -0.12 -0.89 0.24 0.00 0.00 174.94 174.14 1s40 s THR 29 N -3.84 3.23 -0.05 8.37 2.01 -1.06 0.17 115.64 124.47 1s40 s THR 29 Ca 0.07 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1s40 s THR 29 Cb -0.01 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1s40 s THR 29 CO -0.05 0.59 -0.25 -0.04 -0.69 0.00 0.00 174.62 174.18 1s40 s MET 30 N -0.69 2.41 0.08 4.92 -1.94 -0.13 0.11 119.30 124.07 1s40 s MET 30 Ca 0.10 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1s40 s MET 30 Cb -0.11 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 1s40 s MET 30 CO 0.01 0.40 0.05 -0.06 -0.01 0.00 0.00 175.02 175.41 1s40 s PHE 31 N -0.23 3.12 0.00 -0.03 0.40 -1.26 -2.75 117.98 117.23 1s40 s PHE 31 Ca -0.01 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1s40 s PHE 31 Cb -0.13 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1s40 s PHE 31 CO 0.03 0.51 0.00 0.41 0.70 0.00 0.00 175.22 176.86 1s40 n GLY 32 N 0.49 0.59 3.59 4.36 0.00 -1.22 -4.67 105.19 108.34 1s40 n GLY 32 Ca -0.09 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1s40 n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s40 s MET 33 N -2.00 3.96 -0.36 1.61 1.75 -0.68 -2.76 119.30 120.82 1s40 s MET 33 Ca 0.00 -0.16 -0.44 0.00 -1.25 0.00 0.00 55.69 53.83 1s40 s MET 33 Cb 0.00 -3.67 -0.19 0.00 2.84 0.00 0.00 34.83 33.82 1s40 s MET 33 CO 0.00 -0.24 1.56 -0.11 -0.65 0.00 0.00 175.02 175.58 1s40 n LEU 34 N 5.20 1.35 -0.11 4.11 0.00 0.22 -3.39 117.00 124.37 1s40 n LEU 34 Ca -0.11 1.16 -0.19 0.00 0.00 0.00 0.00 56.01 56.87 1s40 n LEU 34 Cb 0.51 -0.96 -0.12 0.00 0.00 0.00 0.00 43.42 42.85 1s40 n LEU 34 CO 0.35 -0.89 -1.26 0.52 0.00 0.00 0.00 177.39 176.12 1s40 n VAL 35 N 3.77 1.54 -3.52 1.96 0.31 -0.62 -4.53 118.33 117.24 1s40 n VAL 35 Ca 0.28 -0.58 -0.11 0.00 -0.01 0.00 0.00 64.34 63.92 1s40 n VAL 35 Cb 0.01 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 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 -6.62 -0.45 -0.03 4.52 0.01 -1.17 -3.71 113.70 106.25 1s40 s SER 36 Ca -0.33 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1s40 s SER 36 Cb 0.09 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.76 1s40 s SER 36 CO 0.63 -0.59 0.06 0.00 0.41 0.00 0.00 173.24 173.74 1s40 s SER 38 N 0.81 4.76 0.00 0.00 0.15 0.84 -4.92 113.70 115.34 1s40 s SER 38 Ca -0.07 -2.22 0.30 0.00 0.70 0.00 0.00 55.95 54.66 1s40 s SER 38 Cb -0.09 -1.64 1.62 0.00 -1.71 0.00 0.00 66.02 64.19 1s40 s SER 38 CO -0.03 -0.38 2.08 0.33 1.20 0.00 0.00 173.24 176.45 1s40 n PHE 39 N 4.17 0.00 -0.08 3.44 -0.00 -1.26 -0.90 117.46 122.83 1s40 n PHE 39 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.41 1s40 n PHE 39 Cb 0.41 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.48 39.70 1s40 n PHE 39 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1s40 h ASP 40 N 0.00 0.22 -1.66 -2.13 1.82 -1.92 -3.42 116.42 109.33 1s40 h ASP 40 Ca 0.00 0.01 -0.70 0.00 -0.39 0.00 0.00 57.03 55.95 1s40 h ASP 40 Cb 0.18 -0.03 0.03 0.00 0.68 0.00 0.00 39.33 40.20 1s40 h ASP 40 CO 0.00 0.16 0.70 0.29 -1.61 0.00 0.00 179.24 178.79 1s40 n LYS 41 N -4.96 1.24 0.00 0.28 4.76 -1.25 -4.79 118.16 113.44 1s40 n LYS 41 Ca -0.01 0.45 0.09 0.00 -2.87 0.00 0.00 58.31 55.97 1s40 n LYS 41 Cb 0.07 -2.13 0.50 0.00 -1.84 0.00 0.00 35.03 31.63 1s40 n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1s40 n PRO 42 N 4.05 0.41 -0.01 1.97 -0.04 -1.26 -2.64 135.00 137.48 1s40 n PRO 42 Ca 0.22 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1s40 n PRO 42 Cb 0.17 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.97 1s40 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s40 n ALA 43 N -1.15 2.69 0.00 0.55 0.00 -1.26 -5.07 120.51 116.27 1s40 n ALA 43 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1s40 n ALA 43 Cb 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1s40 n ALA 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1s40 n PHE 44 N -2.32 0.00 -3.70 0.00 1.16 -1.08 -4.73 117.46 106.78 1s40 n PHE 44 Ca -0.06 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.15 1s40 n PHE 44 Cb 0.62 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.39 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 3.68 -0.50 1.97 1.09 -1.26 -4.01 121.20 119.17 1s40 s ILE 45 Ca 0.00 -2.38 -0.46 0.00 -1.10 0.00 0.00 60.65 56.71 1s40 s ILE 45 Cb 0.00 -3.44 -0.20 0.00 -1.06 0.00 0.00 42.46 37.76 1s40 s ILE 45 CO 0.00 -0.79 1.70 -1.20 -0.10 0.00 0.00 174.94 174.55 1s40 n SER 46 N 4.20 1.16 -4.16 3.58 7.64 -0.08 -4.43 113.62 121.53 1s40 n SER 46 Ca 0.01 1.10 -0.30 0.00 1.01 0.00 0.00 58.87 60.69 1s40 n SER 46 Cb 0.40 -0.89 -0.17 0.00 -1.01 0.00 0.00 64.21 62.54 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 3.55 2.27 -0.20 1.43 0.08 -0.12 -0.12 117.98 124.87 1s40 s PHE 47 Ca 1.08 -0.96 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1s40 s PHE 47 Cb -1.49 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.45 1s40 s PHE 47 CO 0.79 -0.41 -0.09 0.08 -0.10 0.00 0.00 175.22 175.49 1s40 s VAL 48 N 0.52 1.55 0.59 -0.44 1.01 -1.00 0.63 120.40 123.27 1s40 s VAL 48 Ca -0.16 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 60.93 1s40 s VAL 48 Cb -0.17 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.63 1s40 s VAL 48 CO 0.06 0.12 0.76 -0.36 0.00 0.00 0.00 175.10 175.68 1s40 s PHE 49 N 1.43 1.26 -0.04 5.22 0.08 -0.92 -1.59 117.98 123.42 1s40 s PHE 49 Ca -0.02 -0.79 -0.20 0.00 0.12 0.00 0.00 56.93 56.05 1s40 s PHE 49 Cb -0.17 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1s40 s PHE 49 CO -0.08 -1.15 0.43 0.45 -0.10 0.00 0.00 175.22 174.77 1s40 s SER 50 N -4.65 -0.35 0.00 1.36 0.15 -1.22 -2.33 113.70 106.67 1s40 s SER 50 Ca 0.58 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1s40 s SER 50 Cb -0.05 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1s40 s SER 50 CO 0.37 -0.47 0.57 -0.67 1.20 0.00 0.00 173.24 174.24 1s40 n ASP 51 N 1.29 -0.09 -3.28 5.45 2.03 -1.26 -1.69 116.55 118.99 1s40 n ASP 51 Ca -0.20 -1.14 -0.20 0.00 0.52 0.00 0.00 54.79 53.77 1s40 n ASP 51 Cb 0.56 0.02 0.02 0.00 -0.72 0.00 0.00 41.12 41.00 1s40 n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1s40 n PHE 52 N 0.00 -2.87 -4.25 -0.67 7.35 -1.26 -5.01 117.46 110.75 1s40 n PHE 52 Ca -0.03 1.16 -0.14 0.00 -0.76 0.00 0.00 57.45 57.69 1s40 n PHE 52 Cb 0.53 -3.10 -0.10 0.00 0.35 0.00 0.00 39.48 37.15 1s40 n PHE 52 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s40 s THR 53 N -2.39 0.60 -0.56 -2.13 -4.23 -1.26 -5.06 115.64 100.61 1s40 s THR 53 Ca 0.20 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.53 1s40 s THR 53 Cb -0.03 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.64 1s40 s THR 53 CO 0.83 -0.36 0.74 -0.54 -0.54 0.00 0.00 174.62 174.74 1s40 s LYS 54 N -3.96 3.13 -0.15 3.99 1.02 -1.26 -3.44 119.74 119.07 1s40 s LYS 54 Ca 0.27 -0.92 -0.38 0.00 0.02 0.00 0.00 55.97 54.97 1s40 s LYS 54 Cb 0.07 -4.16 -0.14 0.00 -0.52 0.00 0.00 37.83 33.07 1s40 s LYS 54 CO 0.06 -1.43 1.73 -1.71 -0.92 0.00 0.00 175.35 173.09 1s40 n ASN 55 N 6.60 2.67 -0.39 2.83 5.15 -1.17 -2.33 115.26 128.62 1s40 n ASN 55 Ca -0.06 1.05 0.05 0.00 -0.60 0.00 0.00 54.58 55.02 1s40 n ASN 55 Cb 0.45 -1.23 0.05 0.00 -0.53 0.00 0.00 39.78 38.52 1s40 n ASN 55 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1s40 n ASP 56 N 5.33 1.92 0.00 1.20 2.03 -1.09 -4.92 116.55 121.02 1s40 n ASP 56 Ca 0.24 -1.48 0.00 0.00 0.52 0.00 0.00 54.79 54.07 1s40 n ASP 56 Cb 0.20 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1s40 n ASP 56 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1s40 n ILE 57 N 0.49 0.00 0.00 5.18 -5.35 -1.26 -5.02 119.36 113.40 1s40 n ILE 57 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1s40 n ILE 57 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1s40 n ILE 57 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1s40 n VAL 58 N 0.00 0.01 -5.00 7.28 0.31 -1.26 -5.09 118.33 114.59 1s40 n VAL 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s40 n VAL 58 Cb 0.00 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1s40 n VAL 58 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1s40 n GLN 59 N -2.51 0.00 -0.90 5.55 0.00 -1.26 -4.85 117.38 113.41 1s40 n GLN 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1s40 n GLN 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1s40 n GLN 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1s40 n ASN 60 N -2.99 1.24 0.19 1.69 3.02 -1.26 -4.67 115.26 112.47 1s40 n ASN 60 Ca 0.00 -0.45 0.07 0.00 -0.03 0.00 0.00 54.58 54.18 1s40 n ASN 60 Cb 0.00 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.57 1s40 n ASN 60 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1s40 h TYR 61 N 0.45 0.00 0.00 3.10 3.20 -2.01 -3.44 116.97 118.27 1s40 h TYR 61 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1s40 h TYR 61 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1s40 h TYR 61 CO 0.00 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.80 1s40 n LEU 62 N -2.16 0.00 0.00 2.82 4.77 -1.26 -4.87 117.00 116.30 1s40 n LEU 62 Ca -0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1s40 n LEU 62 Cb 0.36 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1s40 n LEU 62 CO 0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 175.99 1s40 n TYR 63 N 0.00 -2.74 -3.07 -1.77 9.36 -1.26 -4.81 117.16 112.86 1s40 n TYR 63 Ca 0.00 0.89 -0.22 0.00 3.32 0.00 0.00 57.90 61.88 1s40 n TYR 63 Cb 0.00 -1.54 0.02 0.00 -0.63 0.00 0.00 39.34 37.20 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 -3.15 -5.54 -2.54 2.98 9.92 -1.26 -4.74 116.55 112.23 1s40 n ASP 64 Ca 0.00 -0.29 -0.14 0.00 -0.53 0.00 0.00 54.79 53.83 1s40 n ASP 64 Cb 0.32 -4.50 0.02 0.00 -0.64 0.00 0.00 41.12 36.33 1s40 n ASP 64 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1s40 n ARG 65 N -3.92 2.32 -2.67 -1.24 1.85 -1.26 -3.16 116.66 108.58 1s40 n ARG 65 Ca -0.09 -3.81 -0.43 0.00 -1.00 0.00 0.00 57.85 52.52 1s40 n ARG 65 Cb 0.60 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 1s40 n ARG 65 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1s40 n TYR 66 N -0.41 3.53 -0.95 2.89 4.01 -1.26 -4.09 117.16 120.88 1s40 n TYR 66 Ca 0.23 -2.99 -0.38 0.00 -0.16 0.00 0.00 57.90 54.60 1s40 n TYR 66 Cb 0.80 -1.89 0.05 0.00 -0.31 0.00 0.00 39.34 37.99 1s40 n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1s40 n LEU 67 N 3.86 -3.18 0.00 7.72 4.77 -1.26 -4.90 117.00 124.02 1s40 n LEU 67 Ca 0.36 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1s40 n LEU 67 Cb 0.38 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1s40 n LEU 67 CO 0.73 -2.94 0.07 -0.38 -1.33 0.00 0.00 177.39 173.53 1s40 n ILE 68 N -3.52 0.00 -1.40 -0.08 5.41 -1.26 -4.59 119.36 113.91 1s40 n ILE 68 Ca -0.02 0.63 -0.46 0.00 1.00 0.00 0.00 62.75 63.91 1s40 n ILE 68 Cb 0.72 -1.40 -0.02 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.19 -1.36 -0.73 4.38 9.92 -1.26 -4.81 116.55 122.50 1s40 n ASP 69 Ca 0.00 1.04 0.08 0.00 -0.53 0.00 0.00 54.79 55.38 1s40 n ASP 69 Cb 0.00 -0.98 0.24 0.00 -0.64 0.00 0.00 41.12 39.74 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 -0.29 0.45 -0.00 1.24 4.02 -1.26 -4.39 117.16 116.93 1s40 n TYR 70 Ca 0.15 -0.23 -0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1s40 n TYR 70 Cb 0.30 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1s40 n TYR 70 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1s40 h GLU 71 N 2.51 0.00 -7.48 -0.72 5.08 -1.94 -3.48 114.58 108.56 1s40 h GLU 71 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 1s40 h GLU 71 Cb 0.57 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.01 1s40 h GLU 71 CO 0.00 0.00 0.17 -0.80 -1.00 0.00 0.00 179.01 177.38 1s40 s ASN 72 N -3.38 0.88 -0.30 1.42 0.01 -1.26 -5.08 114.94 107.23 1s40 s ASN 72 Ca -0.00 0.44 -0.16 0.00 -0.71 0.00 0.00 52.86 52.43 1s40 s ASN 72 Cb 0.00 -0.55 0.17 0.00 0.41 0.00 0.00 41.25 41.28 1s40 s ASN 72 CO 0.01 -4.13 1.04 -1.59 -1.51 0.00 0.00 177.10 170.92 1s40 s LYS 73 N -5.59 0.27 -0.00 -0.60 0.00 -1.26 -4.83 119.74 107.73 1s40 s LYS 73 Ca 0.73 0.58 -0.34 0.00 0.00 0.00 0.00 55.97 56.93 1s40 s LYS 73 Cb -0.07 0.24 -0.13 0.00 0.00 0.00 0.00 37.83 37.87 1s40 s LYS 73 CO 0.55 -0.08 1.75 1.28 0.00 0.00 0.00 175.35 178.86 1s40 n LEU 74 N 4.33 3.21 -4.98 2.77 4.77 -1.26 -4.96 117.00 120.88 1s40 n LEU 74 Ca -0.13 1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 56.63 1s40 n LEU 74 Cb 0.55 -1.38 0.11 0.00 -2.33 0.00 0.00 43.42 40.37 1s40 n LEU 74 CO -0.01 -0.19 0.58 -1.83 -1.33 0.00 0.00 177.39 174.61 1s40 s GLU 75 N 2.79 1.63 0.00 3.23 -1.05 -1.26 -4.93 118.70 119.12 1s40 s GLU 75 Ca 0.88 -0.97 0.18 0.00 -0.15 0.00 0.00 54.97 54.91 1s40 s GLU 75 Cb -0.71 -2.28 0.98 0.00 -0.44 0.00 0.00 34.13 31.68 1s40 s GLU 75 CO 0.47 -1.51 1.50 1.28 0.95 0.00 0.00 175.26 177.95 1s40 n LEU 76 N -2.92 0.00 -2.13 1.83 4.77 -1.26 -2.88 117.00 114.41 1s40 n LEU 76 Ca 0.14 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 1s40 n LEU 76 Cb 0.60 -0.15 0.18 0.00 -2.33 0.00 0.00 43.42 41.72 1s40 n LEU 76 CO 0.43 -0.06 1.22 0.59 -1.33 0.00 0.00 177.39 178.24 1s40 n ASN 77 N -1.15 3.76 0.00 -1.43 3.02 -1.26 -4.60 115.26 113.60 1s40 n ASN 77 Ca 0.11 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 1s40 n ASN 77 Cb 0.10 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 1s40 n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s40 n GLU 78 N -0.98 0.00 -0.71 3.52 4.71 -1.14 -3.03 120.64 123.02 1s40 n GLU 78 Ca 0.55 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.40 1s40 n GLU 78 Cb 1.58 0.00 0.26 0.00 -1.01 0.00 0.00 31.44 32.28 1s40 n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s40 n GLY 79 N -0.89 -3.25 3.81 0.62 0.00 -1.25 -4.41 105.19 99.82 1s40 n GLY 79 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.61 -0.23 0.30 1.61 -0.71 -0.98 -4.89 117.98 110.46 1s40 s PHE 80 Ca 0.68 -0.20 0.07 0.00 -1.04 0.00 0.00 56.93 56.44 1s40 s PHE 80 Cb -0.09 0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1s40 s PHE 80 CO 0.54 -1.19 0.30 0.21 -1.34 0.00 0.00 175.22 173.74 1s40 s LYS 81 N -3.90 2.95 0.11 1.99 2.36 -1.26 -2.17 119.74 119.82 1s40 s LYS 81 Ca 0.10 -1.10 -0.25 0.00 -2.55 0.00 0.00 55.97 52.17 1s40 s LYS 81 Cb -0.05 -2.62 0.08 0.00 -1.05 0.00 0.00 37.83 34.19 1s40 s LYS 81 CO 0.05 0.23 0.72 0.00 1.55 0.00 0.00 175.35 177.89 1s40 s ALA 82 N -2.19 -1.66 0.02 3.13 0.00 0.21 -4.70 121.76 116.58 1s40 s ALA 82 Ca 0.38 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1s40 s ALA 82 Cb -0.07 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1s40 s ALA 82 CO 0.27 -0.76 -0.06 0.96 0.00 0.00 0.00 175.76 176.17 1s40 s ILE 83 N -3.53 0.41 -0.03 0.00 -5.25 -0.79 -0.95 121.20 111.06 1s40 s ILE 83 Ca 0.03 -0.74 -0.01 0.00 -0.99 0.00 0.00 60.65 58.94 1s40 s ILE 83 Cb -0.01 -0.45 0.03 0.00 2.95 0.00 0.00 42.46 44.98 1s40 s ILE 83 CO -0.10 -0.23 0.05 -0.32 -1.79 0.00 0.00 174.94 172.55 1s40 s MET 84 N -1.05 -0.03 0.04 0.37 1.75 -1.26 0.19 119.30 119.31 1s40 s MET 84 Ca -0.07 0.26 -0.38 0.00 -1.25 0.00 0.00 55.69 54.25 1s40 s MET 84 Cb -0.07 -0.29 -0.19 0.00 2.84 0.00 0.00 34.83 37.12 1s40 s MET 84 CO 0.00 -0.21 1.14 0.66 -0.65 0.00 0.00 175.02 175.97 1s40 n TYR 85 N 4.45 0.90 -0.28 4.11 4.01 -1.26 -4.05 117.16 125.05 1s40 n TYR 85 Ca -0.22 0.92 0.09 0.00 -0.16 0.00 0.00 57.90 58.53 1s40 n TYR 85 Cb 0.50 -2.17 0.24 0.00 -0.31 0.00 0.00 39.34 37.60 1s40 n TYR 85 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1s40 h LYS 86 N 3.44 0.29 -0.08 -0.72 1.57 -1.94 0.68 116.57 119.82 1s40 h LYS 86 Ca -0.49 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1s40 h LYS 86 Cb 1.40 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1s40 h LYS 86 CO 0.69 0.19 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.67 1s40 h ASN 87 N 0.30 -0.37 0.46 0.86 -1.24 -2.00 0.79 115.58 114.37 1s40 h ASN 87 Ca 0.48 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.54 1s40 h ASN 87 Cb 0.88 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 40.10 1s40 h ASN 87 CO -0.55 -0.17 -0.09 1.56 -1.29 0.00 0.00 177.43 176.90 1s40 h GLN 88 N -0.17 0.00 0.15 6.67 4.20 -1.14 -2.52 115.11 122.29 1s40 h GLN 88 Ca 0.07 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.47 1s40 h GLN 88 Cb 0.27 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.08 1s40 h GLN 88 CO -0.18 0.09 -1.29 0.35 -0.67 0.00 0.00 178.83 177.13 1s40 h PHE 89 N 0.00 1.01 -0.90 2.96 3.57 0.34 -3.22 116.94 120.70 1s40 h PHE 89 Ca -0.00 -0.65 0.18 0.00 3.53 0.00 0.00 57.97 61.02 1s40 h PHE 89 Cb 0.34 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.90 1s40 h PHE 89 CO 0.00 1.49 0.47 0.93 -2.23 0.00 0.00 178.31 178.98 1s40 h GLU 90 N 0.25 0.58 -0.22 1.11 5.08 0.87 0.16 114.58 122.42 1s40 h GLU 90 Ca -0.20 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1s40 h GLU 90 Cb 1.97 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 31.03 1s40 h GLU 90 CO 0.25 0.39 -0.19 1.15 -1.00 0.00 0.00 179.01 179.60 1s40 h THR 91 N 0.60 0.49 0.23 1.13 2.02 -1.56 0.59 112.91 116.41 1s40 h THR 91 Ca 0.52 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.71 1s40 h THR 91 Cb 0.83 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1s40 h THR 91 CO -0.41 0.00 -0.26 0.15 0.37 0.00 0.00 175.52 175.37 1s40 h PHE 92 N -0.19 -0.69 -0.37 3.16 3.57 -0.78 -0.48 116.94 121.16 1s40 h PHE 92 Ca 0.13 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1s40 h PHE 92 Cb 0.39 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.32 1s40 h PHE 92 CO -0.34 -0.38 -0.29 -0.44 -2.23 0.00 0.00 178.31 174.63 1s40 h ASP 93 N -0.53 -0.97 -0.79 0.41 5.19 -0.73 0.42 116.42 119.42 1s40 h ASP 93 Ca 0.00 0.18 0.13 0.00 -0.62 0.00 0.00 57.03 56.72 1s40 h ASP 93 Cb 0.51 0.46 -0.09 0.00 0.18 0.00 0.00 39.33 40.39 1s40 h ASP 93 CO -0.08 -0.30 0.38 0.28 -3.12 0.00 0.00 179.24 176.40 1s40 h SER 94 N -0.24 0.46 -0.01 6.45 0.02 -0.53 0.88 113.55 120.58 1s40 h SER 94 Ca 0.17 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1s40 h SER 94 Cb 0.51 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1s40 h SER 94 CO -0.50 0.21 -0.06 0.11 -1.14 0.00 0.00 176.83 175.45 1s40 h LYS 95 N 0.58 0.18 0.23 3.45 1.79 0.11 -2.83 116.57 120.08 1s40 h LYS 95 Ca 0.42 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.55 1s40 h LYS 95 Cb 0.57 -0.03 0.03 0.00 -1.58 0.00 0.00 32.23 31.22 1s40 h LYS 95 CO -0.35 0.25 -1.37 -0.07 -1.08 0.00 0.00 179.45 176.84 1s40 h LEU 96 N 0.18 0.75 -1.17 2.94 3.38 0.42 -3.32 115.31 118.49 1s40 h LEU 96 Ca 0.04 -0.93 0.19 0.00 0.09 0.00 0.00 57.88 57.28 1s40 h LEU 96 Cb 0.23 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1s40 h LEU 96 CO 0.01 1.66 0.61 0.03 0.09 0.00 0.00 178.44 180.84 1s40 h ARG 97 N 0.03 0.64 0.00 1.13 3.08 0.70 0.48 114.38 120.44 1s40 h ARG 97 Ca -0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1s40 h ARG 97 Cb 2.05 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1s40 h ARG 97 CO 0.24 0.42 0.00 0.87 -1.07 0.00 0.00 179.97 180.43 1s40 h LYS 98 N 0.66 0.00 0.00 0.04 1.79 -1.64 -1.21 116.57 116.21 1s40 h LYS 98 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1s40 h LYS 98 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1s40 h LYS 98 CO -0.31 0.00 -0.79 0.82 -1.08 0.00 0.00 179.45 178.09 1s40 h ILE 99 N 0.00 0.00 0.00 1.86 2.04 -0.18 -3.45 117.51 117.78 1s40 h ILE 99 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1s40 h ILE 99 Cb 0.56 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1s40 h ILE 99 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 1s40 n PHE 100 N -2.36 0.00 0.00 1.37 3.72 -0.64 -5.09 117.46 114.45 1s40 n PHE 100 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1s40 n PHE 100 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 -0.14 0.00 -0.78 4.37 2.85 -0.50 -5.02 115.26 116.05 1s40 n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1s40 n ASN 101 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1s40 n ASN 101 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1s40 n ASN 102 N 0.00 0.00 -4.84 1.20 3.02 -1.25 -5.00 115.26 108.38 1s40 n ASN 102 Ca 0.00 -0.78 -0.21 0.00 -0.03 0.00 0.00 54.58 53.55 1s40 n ASN 102 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.81 1.66 0.23 7.41 0.00 -1.26 -3.08 107.32 111.47 1s40 s GLY 103 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.01 1s40 s GLY 103 CO 0.00 -1.54 1.59 1.41 0.00 0.00 0.00 173.10 174.56 1s40 h LEU 104 N 1.33 -0.86 -0.97 0.66 4.07 -1.97 0.62 115.31 118.18 1s40 h LEU 104 Ca -0.46 0.24 0.27 0.00 0.08 0.00 0.00 57.88 58.01 1s40 h LEU 104 Cb 1.25 0.53 -0.13 0.00 1.08 0.00 0.00 40.66 43.38 1s40 h LEU 104 CO 0.59 -0.27 0.52 0.08 -1.08 0.00 0.00 178.44 178.28 1s40 h ARG 105 N -0.03 0.42 0.00 1.13 -0.00 -1.95 0.81 114.38 114.77 1s40 h ARG 105 Ca 0.35 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.98 60.17 1s40 h ARG 105 Cb 0.58 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.43 1s40 h ARG 105 CO -0.81 0.28 -0.68 -0.44 -0.00 0.00 0.00 179.97 178.31 1s40 h ASP 106 N 0.43 0.00 0.70 0.08 5.19 -0.19 -3.06 116.42 119.57 1s40 h ASP 106 Ca 0.65 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.94 1s40 h ASP 106 Cb 1.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1s40 h ASP 106 CO -0.54 0.68 -0.57 -0.07 -3.12 0.00 0.00 179.24 175.62 1s40 h LEU 107 N 0.00 0.00 -9.73 1.55 3.38 0.19 -3.44 115.31 107.25 1s40 h LEU 107 Ca -0.01 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 1s40 h LEU 107 Cb 1.28 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1s40 h LEU 107 CO 0.09 0.57 -0.58 0.00 0.09 0.00 0.00 178.44 178.61 1s40 s GLN 108 N -3.57 2.73 0.00 1.13 -2.07 0.22 -4.94 119.66 113.15 1s40 s GLN 108 Ca -0.01 -1.06 0.27 0.00 -1.82 0.00 0.00 55.36 52.75 1s40 s GLN 108 Cb 0.12 -2.49 0.95 0.00 -1.09 0.00 0.00 33.01 30.50 1s40 s GLN 108 CO 0.75 0.43 1.69 0.09 -1.32 0.00 0.00 175.29 176.92 1s40 n ASN 109 N -0.67 0.92 0.00 12.60 3.02 -1.26 -4.81 115.26 125.05 1s40 n ASN 109 Ca -0.08 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1s40 n ASN 109 Cb 0.56 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1s40 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s40 n GLY 110 N 1.29 3.03 0.00 7.41 0.00 -1.26 -4.88 105.19 110.79 1s40 n GLY 110 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.97 1.61 1.74 -1.26 -4.97 116.66 109.81 1s40 n ARG 111 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1s40 n ARG 111 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1s40 n ARG 111 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1s40 s ASP 112 N -1.00 4.76 0.00 0.55 -1.08 -1.26 -4.90 116.67 113.74 1s40 s ASP 112 Ca 0.00 -1.55 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1s40 s ASP 112 Cb 0.00 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.81 1s40 s ASP 112 CO 0.00 -0.29 0.00 -1.84 0.52 0.00 0.00 175.17 173.56 1s40 n GLU 113 N 4.49 2.16 -2.21 4.34 0.00 -1.26 -4.86 120.64 123.30 1s40 n GLU 113 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.03 1s40 n GLU 113 Cb 0.42 -0.76 -0.03 0.00 0.00 0.00 0.00 31.44 31.07 1s40 n GLU 113 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1s40 n ASN 114 N -1.25 -2.46 -1.75 -1.84 2.85 -1.26 -4.90 115.26 104.64 1s40 n ASN 114 Ca 0.00 1.08 0.08 0.00 -0.11 0.00 0.00 54.58 55.63 1s40 n ASN 114 Cb 0.24 -4.10 0.39 0.00 1.24 0.00 0.00 39.78 37.55 1s40 n ASN 114 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1s40 n LEU 115 N 1.27 5.40 -1.16 1.20 4.77 -1.26 -4.43 117.00 122.79 1s40 n LEU 115 Ca -0.23 -2.82 -0.00 0.00 -0.03 0.00 0.00 56.01 52.92 1s40 n LEU 115 Cb 0.36 -0.65 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 1s40 n LEU 115 CO 0.22 0.68 0.57 -1.54 -1.33 0.00 0.00 177.39 175.99 1s40 n SER 116 N 0.67 2.98 -0.07 -1.43 3.41 -1.24 -3.82 113.62 114.11 1s40 n SER 116 Ca 0.27 -2.43 -0.04 0.00 -0.26 0.00 0.00 58.87 56.41 1s40 n SER 116 Cb 1.11 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 1s40 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s40 n GLN 117 N 0.15 0.68 -0.02 4.33 6.02 -1.26 -4.52 117.38 122.75 1s40 n GLN 117 Ca 0.14 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.91 1s40 n GLN 117 Cb 0.71 -1.53 -0.14 0.00 1.02 0.00 0.00 30.24 30.31 1s40 n GLN 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1s40 h TYR 118 N 0.00 0.22 -1.04 1.08 0.05 -1.89 -3.43 116.97 111.96 1s40 h TYR 118 Ca -0.39 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1s40 h TYR 118 Cb 1.88 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.61 1s40 h TYR 118 CO 0.00 1.13 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 1s40 n GLY 119 N 1.63 0.25 3.36 3.88 0.00 -1.26 -4.84 105.19 108.21 1s40 n GLY 119 Ca -0.12 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1s40 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s40 s ILE 120 N -0.60 4.34 -0.11 -0.61 1.01 -1.26 -4.98 121.20 118.99 1s40 s ILE 120 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1s40 s ILE 120 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1s40 s ILE 120 CO 0.00 -0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.16 1s40 s VAL 121 N 1.52 4.86 0.20 2.92 1.01 -1.26 0.68 120.40 130.34 1s40 s VAL 121 Ca 0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1s40 s VAL 121 Cb -0.19 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1s40 s VAL 121 CO 0.05 0.59 0.58 0.00 0.00 0.00 0.00 175.10 176.33 1s40 s LYS 123 N -3.84 2.90 -0.20 0.00 1.02 -0.83 -3.42 119.74 115.38 1s40 s LYS 123 Ca 0.07 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.18 1s40 s LYS 123 Cb -0.02 -2.70 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 1s40 s LYS 123 CO -0.05 0.53 0.47 -1.64 -0.92 0.00 0.00 175.35 173.74 1s40 s MET 124 N -2.73 0.44 -0.40 1.68 -1.94 -1.11 -2.88 119.30 112.36 1s40 s MET 124 Ca 0.30 0.91 -0.25 0.00 -1.71 0.00 0.00 55.69 54.94 1s40 s MET 124 Cb -0.11 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.82 1s40 s MET 124 CO 0.23 -0.17 0.91 1.21 -0.01 0.00 0.00 175.02 177.19 1s40 s ASN 125 N 1.64 6.60 0.13 3.03 3.84 -1.26 -0.96 114.94 127.96 1s40 s ASN 125 Ca -0.09 0.39 0.09 0.00 0.21 0.00 0.00 52.86 53.47 1s40 s ASN 125 Cb -0.08 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1s40 s ASN 125 CO -0.14 -0.92 -0.19 -0.63 -2.79 0.00 0.00 177.10 172.43 1s40 s ILE 126 N 3.55 2.79 -0.02 -5.21 1.01 0.45 0.22 121.20 123.99 1s40 s ILE 126 Ca 0.37 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 1s40 s ILE 126 Cb -0.11 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1s40 s ILE 126 CO 0.21 0.07 0.33 -0.75 0.00 0.00 0.00 174.94 174.81 1s40 s LYS 127 N -2.21 3.76 0.01 2.79 2.20 0.19 -1.76 119.74 124.72 1s40 s LYS 127 Ca 0.18 0.22 0.05 0.00 -0.36 0.00 0.00 55.97 56.06 1s40 s LYS 127 Cb -0.10 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1s40 s LYS 127 CO 0.10 0.70 -0.15 0.14 -0.36 0.00 0.00 175.35 175.78 1s40 s VAL 128 N -1.11 1.20 0.15 4.02 -7.23 -0.91 -1.17 120.40 115.35 1s40 s VAL 128 Ca 0.23 -0.80 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 1s40 s VAL 128 Cb -0.15 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.78 1s40 s VAL 128 CO 0.12 0.22 0.37 -1.59 -0.31 0.00 0.00 175.10 173.90 1s40 s LYS 129 N -0.68 1.16 -0.13 4.82 -2.85 -1.10 -2.06 119.74 118.90 1s40 s LYS 129 Ca 0.05 -0.93 -0.19 0.00 -1.00 0.00 0.00 55.97 53.89 1s40 s LYS 129 Cb -0.07 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1s40 s LYS 129 CO 0.00 -0.45 0.54 1.41 0.10 0.00 0.00 175.35 176.96 1s40 s MET 130 N -3.88 4.32 -1.15 1.78 1.75 -1.25 -0.79 119.30 120.08 1s40 s MET 130 Ca 0.09 0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 55.02 1s40 s MET 130 Cb 0.02 -3.47 0.26 0.00 2.84 0.00 0.00 34.83 34.47 1s40 s MET 130 CO -0.05 0.05 1.67 0.98 -0.65 0.00 0.00 175.02 177.01 1s40 n TYR 131 N 4.03 2.48 -0.91 4.11 4.19 -0.77 -4.55 117.16 125.73 1s40 n TYR 131 Ca -0.05 -2.64 0.00 0.00 3.31 0.00 0.00 57.90 58.52 1s40 n TYR 131 Cb 0.51 -1.48 0.00 0.00 0.49 0.00 0.00 39.34 38.86 1s40 n TYR 131 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1s40 n ASN 132 N 1.99 -2.91 0.00 2.98 5.15 -1.26 -3.05 115.26 118.16 1s40 n ASN 132 Ca 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1s40 n ASN 132 Cb 0.33 -1.75 0.00 0.00 -0.53 0.00 0.00 39.78 37.83 1s40 n ASN 132 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s40 n GLY 133 N -1.34 0.22 0.00 8.20 0.00 -1.26 -5.14 105.19 105.87 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 3.39 -3.64 1.61 4.01 -1.17 -4.38 118.16 117.97 1s40 n LYS 134 Ca 0.00 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.59 1s40 n LYS 134 Cb 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.35 1s40 n LYS 134 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1s40 s LEU 135 N 0.00 0.15 -0.43 -0.35 2.96 -1.26 -1.85 118.68 117.90 1s40 s LEU 135 Ca 0.00 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 1s40 s LEU 135 Cb 0.00 -0.07 0.02 0.00 0.50 0.00 0.00 46.19 46.64 1s40 s LEU 135 CO 0.00 -0.29 0.78 0.21 -1.32 0.00 0.00 176.35 175.73 1s40 s ASN 136 N 2.19 6.43 -0.38 3.68 2.47 0.03 -4.73 114.94 124.64 1s40 s ASN 136 Ca 0.04 -0.03 -0.07 0.00 0.42 0.00 0.00 52.86 53.22 1s40 s ASN 136 Cb -0.13 -2.38 0.06 0.00 -1.45 0.00 0.00 41.25 37.35 1s40 s ASN 136 CO -0.06 -0.87 0.18 0.00 -3.72 0.00 0.00 177.10 172.63 1s40 s ALA 137 N 3.23 3.15 0.11 1.71 0.00 -1.25 -2.69 121.76 126.02 1s40 s ALA 137 Ca 0.30 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.17 1s40 s ALA 137 Cb -0.12 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1s40 s ALA 137 CO 0.21 -1.52 0.39 0.96 0.00 0.00 0.00 175.76 175.80 1s40 s ILE 138 N 1.37 5.13 -0.16 0.00 -4.36 -0.32 -1.88 121.20 120.98 1s40 s ILE 138 Ca 0.01 0.24 -0.13 0.00 -0.26 0.00 0.00 60.65 60.52 1s40 s ILE 138 Cb -0.21 -3.63 -0.05 0.00 1.25 0.00 0.00 42.46 39.82 1s40 s ILE 138 CO 0.01 0.16 0.25 -0.69 0.24 0.00 0.00 174.94 174.92 1s40 s VAL 139 N -1.53 5.33 -0.12 8.37 1.01 0.52 0.57 120.40 134.54 1s40 s VAL 139 Ca 0.37 0.46 0.15 0.00 0.00 0.00 0.00 61.98 62.95 1s40 s VAL 139 Cb -0.13 -3.58 -0.21 0.00 0.00 0.00 0.00 36.38 32.46 1s40 s VAL 139 CO 0.21 0.42 0.13 -1.14 0.00 0.00 0.00 175.10 174.72 1s40 n ARG 140 N 3.40 1.20 -4.47 2.72 0.63 0.59 -4.54 116.66 116.19 1s40 n ARG 140 Ca -0.13 -0.04 -0.23 0.00 -0.92 0.00 0.00 57.85 56.52 1s40 n ARG 140 Cb 0.52 -1.41 -0.10 0.00 0.45 0.00 0.00 32.46 31.93 1s40 n ARG 140 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1s40 s GLU 141 N -2.58 1.73 -0.36 -0.14 2.02 -1.17 -4.91 118.70 113.29 1s40 s GLU 141 Ca -0.07 -1.99 0.04 0.00 0.02 0.00 0.00 54.97 52.97 1s40 s GLU 141 Cb 0.06 -0.80 0.19 0.00 0.10 0.00 0.00 34.13 33.68 1s40 s GLU 141 CO 0.66 -0.27 0.69 0.00 0.02 0.00 0.00 175.26 176.36 1s40 s GLU 143 N 2.22 2.04 0.40 0.00 0.41 -1.14 -4.52 118.70 118.10 1s40 s GLU 143 Ca 0.15 -0.92 -0.26 0.00 -0.41 0.00 0.00 54.97 53.54 1s40 s GLU 143 Cb -0.05 -2.49 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 1s40 s GLU 143 CO -0.14 -0.46 1.24 -1.25 -0.49 0.00 0.00 175.26 174.16 1s40 s PRO 144 N 1.36 4.02 -0.52 0.39 0.04 -1.26 -1.96 135.00 137.06 1s40 s PRO 144 Ca -0.02 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1s40 s PRO 144 Cb -0.17 -2.73 0.17 0.00 0.04 0.00 0.00 34.50 31.81 1s40 s PRO 144 CO -0.08 -0.40 0.40 0.08 0.04 0.00 0.00 177.00 177.04 1s40 s VAL 145 N -1.32 1.28 0.00 -0.36 1.01 0.50 -4.88 120.40 116.61 1s40 s VAL 145 Ca 0.57 -3.25 0.00 0.00 0.00 0.00 0.00 61.98 59.30 1s40 s VAL 145 Cb -0.35 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1s40 s VAL 145 CO 0.44 -1.15 0.00 -0.81 0.00 0.00 0.00 175.10 173.58 1s40 n PRO 146 N 2.53 0.00 -2.05 2.72 -0.04 -1.25 -4.15 135.00 132.76 1s40 n PRO 146 Ca 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1s40 n PRO 146 Cb 0.43 -0.09 0.06 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 -1.23 0.00 0.54 -0.00 -1.26 -4.90 115.22 108.36 1s40 n HIS 147 Ca 0.00 -1.11 0.00 0.00 0.46 0.00 0.00 57.72 57.07 1s40 n HIS 147 Cb 0.00 1.13 0.00 0.00 -0.12 0.00 0.00 29.99 31.00 1s40 n HIS 147 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1s40 n SER 148 N -0.92 0.00 -0.87 0.26 7.64 -1.26 -4.86 113.62 113.61 1s40 n SER 148 Ca -0.16 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.83 1s40 n SER 148 Cb 0.75 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 64.04 1s40 n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s40 n GLN 149 N -1.37 2.01 -0.28 1.43 6.02 -1.26 -4.48 117.38 119.45 1s40 n GLN 149 Ca 0.00 -1.80 0.09 0.00 -0.01 0.00 0.00 57.00 55.28 1s40 n GLN 149 Cb 0.00 -1.42 0.24 0.00 1.02 0.00 0.00 30.24 30.08 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 4.25 0.53 0.00 5.09 2.10 -1.90 1.02 117.51 128.60 1s40 h ILE 150 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1s40 h ILE 150 Cb 0.90 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1s40 h ILE 150 CO 0.00 0.07 0.00 -1.20 -1.08 0.00 0.00 178.15 175.94 1s40 n SER 151 N -5.07 0.00 -0.00 2.19 7.64 -1.25 0.23 113.62 117.36 1s40 n SER 151 Ca 0.18 0.22 0.04 0.00 1.01 0.00 0.00 58.87 60.32 1s40 n SER 151 Cb 0.54 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 1s40 n SER 151 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1s40 n SER 152 N -1.31 2.11 -0.05 6.43 7.64 0.34 -4.60 113.62 124.17 1s40 n SER 152 Ca 0.03 -0.25 -0.05 0.00 1.01 0.00 0.00 58.87 59.62 1s40 n SER 152 Cb 0.06 1.24 -0.09 0.00 -1.01 0.00 0.00 64.21 64.42 1s40 n SER 152 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1s40 n ILE 153 N -1.57 0.69 -4.18 0.44 5.41 -0.11 -5.03 119.36 115.01 1s40 n ILE 153 Ca -0.00 -0.45 -0.12 0.00 1.00 0.00 0.00 62.75 63.18 1s40 n ILE 153 Cb 0.18 -0.64 -0.10 0.00 -0.71 0.00 0.00 39.64 38.37 1s40 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s40 s ALA 154 N -2.30 1.08 0.13 -1.39 0.00 0.62 -5.04 121.76 114.86 1s40 s ALA 154 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1s40 s ALA 154 Cb 0.04 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1s40 s ALA 154 CO 0.45 -0.17 0.00 -1.13 0.00 0.00 0.00 175.76 174.91 1s40 n SER 155 N 0.08 -1.18 -4.55 0.00 3.41 -1.26 -3.87 113.62 106.24 1s40 n SER 155 Ca -0.13 0.54 -0.39 0.00 -0.26 0.00 0.00 58.87 58.64 1s40 n SER 155 Cb 0.60 1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 65.92 1s40 n SER 155 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1s40 s PRO 156 N -1.84 2.64 0.00 4.33 0.04 -1.26 -3.39 135.00 135.53 1s40 s PRO 156 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1s40 s PRO 156 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1s40 s PRO 156 CO 0.00 -2.71 0.00 0.45 0.04 0.00 0.00 177.00 174.78 1s40 n SER 157 N 12.70 0.00 0.16 6.66 2.88 -1.26 -4.46 113.62 130.30 1s40 n SER 157 Ca 0.20 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.93 1s40 n SER 157 Cb 0.52 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.73 1s40 n SER 157 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1s40 h GLN 158 N 0.00 0.00 0.24 -1.46 7.50 -1.96 -0.16 115.11 119.27 1s40 h GLN 158 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1s40 h GLN 158 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1s40 h GLN 158 CO 0.00 0.00 -0.12 0.00 -1.50 0.00 0.00 178.83 177.21 1s40 h GLU 160 N -0.84 1.00 -0.96 0.00 4.11 -1.57 -1.71 114.58 114.62 1s40 h GLU 160 Ca -0.03 -0.36 0.10 0.00 0.07 0.00 0.00 59.36 59.14 1s40 h GLU 160 Cb 0.51 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1s40 h GLU 160 CO 0.05 1.04 0.61 1.25 0.07 0.00 0.00 179.01 182.04 1s40 h HIS 161 N 0.88 1.08 -0.10 2.06 2.76 -1.12 -0.72 115.15 119.98 1s40 h HIS 161 Ca 0.14 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1s40 h HIS 161 Cb 0.64 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 29.26 1s40 h HIS 161 CO 0.05 0.48 -0.41 -0.07 -1.30 0.00 0.00 177.93 176.67 1s40 h LEU 162 N 0.99 0.53 -0.72 0.26 3.38 -1.12 -2.62 115.31 116.00 1s40 h LEU 162 Ca 0.45 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1s40 h LEU 162 Cb 0.39 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1s40 h LEU 162 CO -0.21 1.08 0.39 0.03 0.09 0.00 0.00 178.44 179.82 1s40 h ARG 163 N 0.02 0.65 0.00 1.13 2.47 -0.55 -0.53 114.38 117.57 1s40 h ARG 163 Ca -0.02 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1s40 h ARG 163 Cb 1.06 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 1s40 h ARG 163 CO 0.09 0.43 -0.40 -0.07 0.56 0.00 0.00 179.97 180.57 1s40 h LEU 164 N 0.67 0.00 -1.25 3.04 3.38 -1.18 -2.67 115.31 117.31 1s40 h LEU 164 Ca 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 1s40 h LEU 164 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1s40 h LEU 164 CO -0.24 0.40 -0.35 0.15 0.09 0.00 0.00 178.44 178.49 1s40 h PHE 165 N 0.00 0.05 -0.18 1.13 3.04 -0.71 -2.84 116.94 117.43 1s40 h PHE 165 Ca -0.00 -0.01 -0.19 0.00 3.98 0.00 0.00 57.97 61.75 1s40 h PHE 165 Cb 0.78 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.29 1s40 h PHE 165 CO 0.00 0.39 -0.61 1.88 -2.02 0.00 0.00 178.31 177.95 1s40 h TYR 166 N 0.04 0.96 -0.26 0.41 0.05 -1.10 -1.63 116.97 115.44 1s40 h TYR 166 Ca 0.00 -0.40 0.05 0.00 0.05 0.00 0.00 58.73 58.44 1s40 h TYR 166 Cb 0.64 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 1s40 h TYR 166 CO 0.00 1.21 -0.07 1.96 -1.05 0.00 0.00 178.16 180.21 1s40 h GLN 167 N 0.44 -0.01 -0.09 4.88 4.20 -1.41 0.73 115.11 123.85 1s40 h GLN 167 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1s40 h GLN 167 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1s40 h GLN 167 CO 0.13 -0.01 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.17 1s40 h ARG 168 N -0.01 0.18 -0.55 1.46 2.43 -1.55 -3.05 114.38 113.28 1s40 h ARG 168 Ca 0.13 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1s40 h ARG 168 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1s40 h ARG 168 CO -0.27 0.51 0.27 0.00 -1.51 0.00 0.00 179.97 178.96 1s40 h ALA 169 N 0.67 1.44 0.00 2.80 0.00 -0.99 1.69 119.26 124.87 1s40 h ALA 169 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s40 h ALA 169 Cb 0.44 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s40 h ALA 169 CO 0.01 0.45 -0.02 0.74 0.00 0.00 0.00 179.25 180.43 1s40 h PHE 170 N 0.77 0.00 0.00 0.00 -1.00 0.58 -0.16 116.94 117.13 1s40 h PHE 170 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1s40 h PHE 170 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1s40 h PHE 170 CO 0.01 0.02 -1.22 1.63 -1.61 0.00 0.00 178.31 177.13 1s40 n LYS 171 N -3.91 0.18 0.02 1.51 4.76 -0.61 -4.62 118.16 115.49 1s40 n LYS 171 Ca -0.03 -0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.29 1s40 n LYS 171 Cb 0.10 -1.12 -0.12 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.00 -0.57 1.97 2.47 0.26 -3.35 114.38 115.17 1s40 h ARG 172 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1s40 h ARG 172 Cb 0.23 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1s40 h ARG 172 CO 0.00 0.68 0.35 0.82 0.56 0.00 0.00 179.97 182.38 1s40 h ILE 173 N 0.00 1.17 0.00 2.04 2.04 -1.19 -3.47 117.51 118.10 1s40 h ILE 173 Ca -0.16 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1s40 h ILE 173 Cb 1.87 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1s40 h ILE 173 CO 0.10 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1s40 n GLY 174 N -1.14 2.24 0.37 5.37 0.00 -1.26 -4.87 105.19 105.90 1s40 n GLY 174 Ca 0.04 -0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.20 1s40 n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s40 h GLU 175 N 0.00 0.45 -0.39 1.61 3.07 -1.83 0.20 114.58 117.69 1s40 h GLU 175 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1s40 h GLU 175 Cb 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1s40 h GLU 175 CO 0.00 0.30 0.19 0.66 -1.40 0.00 0.00 179.01 178.75 1s40 h SER 176 N 0.46 0.51 -0.85 1.42 4.64 -1.98 -2.63 113.55 115.12 1s40 h SER 176 Ca 0.66 -0.13 0.17 0.00 -0.47 0.00 0.00 61.79 62.02 1s40 h SER 176 Cb 1.45 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 63.31 1s40 h SER 176 CO -0.45 0.49 0.41 0.00 -0.87 0.00 0.00 176.83 176.41 1s40 h ALA 177 N 1.04 1.30 -0.83 5.18 0.00 -0.94 0.29 119.26 125.29 1s40 h ALA 177 Ca 0.13 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1s40 h ALA 177 Cb 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1s40 h ALA 177 CO -0.02 -0.18 0.55 0.82 0.00 0.00 0.00 179.25 180.42 1s40 h ILE 178 N 0.54 0.78 0.00 0.00 1.08 -1.26 0.21 117.51 118.86 1s40 h ILE 178 Ca 0.48 -0.17 -0.14 0.00 -0.39 0.00 0.00 64.86 64.65 1s40 h ILE 178 Cb 0.77 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1s40 h ILE 178 CO -0.41 0.09 -0.65 0.28 -0.69 0.00 0.00 178.15 176.76 1s40 h SER 179 N 0.49 0.00 -0.20 1.72 0.02 -0.45 -0.94 113.55 114.19 1s40 h SER 179 Ca 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1s40 h SER 179 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1s40 h SER 179 CO -0.16 0.65 0.09 0.03 -1.14 0.00 0.00 176.83 176.30 1s40 h ARG 180 N 0.00 0.35 -1.42 3.45 2.47 -0.04 -3.28 114.38 115.91 1s40 h ARG 180 Ca -0.01 -0.04 -0.41 0.00 -1.26 0.00 0.00 59.98 58.26 1s40 h ARG 180 Cb 1.26 -0.07 -0.35 0.00 -1.65 0.00 0.00 29.97 29.17 1s40 h ARG 180 CO 0.09 0.31 -1.04 0.66 0.56 0.00 0.00 179.97 180.55 1s40 n TYR 181 N -4.42 -0.30 -0.18 3.04 4.02 -1.12 -4.98 117.16 113.22 1s40 n TYR 181 Ca 0.01 -3.29 -0.06 0.00 -0.01 0.00 0.00 57.90 54.55 1s40 n TYR 181 Cb 0.14 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 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 2.96 -0.93 0.74 -0.72 -5.15 -1.23 0.18 116.94 112.80 1s40 h PHE 182 Ca 0.02 0.07 -0.04 0.00 -0.20 0.00 0.00 57.97 57.82 1s40 h PHE 182 Cb 1.04 0.49 0.01 0.00 0.22 0.00 0.00 35.95 37.70 1s40 h PHE 182 CO 0.43 -0.38 -0.36 0.93 -2.00 0.00 0.00 178.31 176.93 1s40 h GLU 183 N -0.18 -0.96 -0.26 6.09 5.08 -1.93 -1.47 114.58 120.95 1s40 h GLU 183 Ca 0.22 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1s40 h GLU 183 Cb 0.55 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1s40 h GLU 183 CO -0.65 -0.64 0.32 0.93 -1.00 0.00 0.00 179.01 177.97 1s40 h GLU 184 N -1.01 0.00 0.18 2.33 4.39 -1.82 -2.01 114.58 116.65 1s40 h GLU 184 Ca -0.10 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.30 1s40 h GLU 184 Cb 0.77 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1s40 h GLU 184 CO 0.17 0.00 -1.44 -0.92 -1.16 0.00 0.00 179.01 175.66 1s40 h TYR 185 N 0.00 0.71 0.00 4.33 5.03 -0.13 -3.27 116.97 123.64 1s40 h TYR 185 Ca 0.12 -0.52 0.00 0.00 2.58 0.00 0.00 58.73 60.91 1s40 h TYR 185 Cb 0.75 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1s40 h TYR 185 CO 0.00 1.56 0.00 2.89 -1.32 0.00 0.00 178.16 181.29 1s40 n ARG 186 N -3.80 0.06 0.00 1.82 1.85 -0.60 -4.75 116.66 111.24 1s40 n ARG 186 Ca -0.21 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1s40 n ARG 186 Cb 1.00 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 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 -1.74 0.00 -3.04 2.89 0.63 -1.08 0.40 116.66 114.72 1s40 n ARG 187 Ca 0.02 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.67 1s40 n ARG 187 Cb 0.12 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.98 1s40 n ARG 187 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1s40 n PHE 188 N 0.00 3.94 -3.63 -0.14 7.35 -1.26 -5.02 117.46 118.71 1s40 n PHE 188 Ca 0.00 -3.99 -0.06 0.00 -0.76 0.00 0.00 57.45 52.63 1s40 n PHE 188 Cb 0.00 -0.53 -0.06 0.00 0.35 0.00 0.00 39.48 39.25 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 -3.28 -0.25 0.00 -5.13 5.36 0.16 -5.02 117.98 109.82 1s40 s PHE 189 Ca 0.47 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.94 1s40 s PHE 189 Cb 0.25 0.44 -0.14 0.00 -0.34 0.00 0.00 43.02 43.23 1s40 s PHE 189 CO -0.11 -0.17 2.67 -0.35 -1.46 0.00 0.00 175.22 175.80 1s40 n PRO 190 N 1.33 1.41 0.00 10.12 -0.04 -1.26 -4.67 135.00 141.89 1s40 n PRO 190 Ca -0.09 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1s40 n PRO 190 Cb 0.57 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1s40 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57